EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:58:07 REMARK 6 MODELLER OBJECTIVE FUNCTION: 431.2189 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 83.582 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -5561.25439 REMARK 6 GA341 score: 0.99953 REMARK 6 Normalized DOPE score: -0.13817 REMARK 6 TEMPLATE: 1lcyA02 127:A - 202:A MODELS 1: - 76: AT 83.6% ATOM 1 N MET 1 6.791 14.487 49.262 1.00 64.52 N ATOM 2 CA MET 1 5.732 14.524 48.230 1.00 64.52 C ATOM 3 CB MET 1 5.787 15.839 47.437 1.00 64.52 C ATOM 4 CG MET 1 5.290 17.042 48.238 1.00 64.52 C ATOM 5 SD MET 1 3.492 17.029 48.517 1.00 64.52 S ATOM 6 CE MET 1 3.435 18.605 49.416 1.00 64.52 C ATOM 7 C MET 1 5.841 13.387 47.274 1.00 64.52 C ATOM 8 O MET 1 6.928 12.871 47.017 1.00 64.52 O ATOM 9 N GLY 2 4.681 12.961 46.738 1.00 20.92 N ATOM 10 CA GLY 2 4.618 11.895 45.787 1.00 20.92 C ATOM 11 C GLY 2 3.477 12.234 44.889 1.00 20.92 C ATOM 12 O GLY 2 2.640 13.068 45.230 1.00 20.92 O ATOM 13 N SER 3 3.412 11.600 43.704 1.00 81.51 N ATOM 14 CA SER 3 2.342 11.937 42.812 1.00 81.51 C ATOM 15 CB SER 3 2.610 11.556 41.348 1.00 81.51 C ATOM 16 OG SER 3 2.665 10.144 41.216 1.00 81.51 O ATOM 17 C SER 3 1.098 11.230 43.251 1.00 81.51 C ATOM 18 O SER 3 1.150 10.143 43.823 1.00 81.51 O ATOM 19 N LEU 4 -0.067 11.844 42.970 1.00102.66 N ATOM 20 CA LEU 4 -1.331 11.276 43.339 1.00102.66 C ATOM 21 CB LEU 4 -2.553 12.172 43.063 1.00102.66 C ATOM 22 CG LEU 4 -2.815 12.463 41.576 1.00102.66 C ATOM 23 CD1 LEU 4 -4.049 13.360 41.396 1.00102.66 C ATOM 24 CD2 LEU 4 -1.570 13.054 40.898 1.00102.66 C ATOM 25 C LEU 4 -1.501 10.029 42.547 1.00102.66 C ATOM 26 O LEU 4 -2.176 9.091 42.966 1.00102.66 O ATOM 27 N PHE 5 -0.899 10.017 41.350 1.00114.48 N ATOM 28 CA PHE 5 -1.007 8.925 40.437 1.00114.48 C ATOM 29 CB PHE 5 -0.332 9.220 39.086 1.00114.48 C ATOM 30 CG PHE 5 -0.974 10.433 38.489 1.00114.48 C ATOM 31 CD1 PHE 5 -2.192 10.347 37.854 1.00114.48 C ATOM 32 CD2 PHE 5 -0.368 11.667 38.577 1.00114.48 C ATOM 33 CE1 PHE 5 -2.786 11.461 37.309 1.00114.48 C ATOM 34 CE2 PHE 5 -0.957 12.786 38.031 1.00114.48 C ATOM 35 CZ PHE 5 -2.167 12.686 37.390 1.00114.48 C ATOM 36 C PHE 5 -0.373 7.695 41.021 1.00114.48 C ATOM 37 O PHE 5 -0.867 6.590 40.803 1.00114.48 O ATOM 38 N SER 6 0.746 7.836 41.768 1.00109.88 N ATOM 39 CA SER 6 1.416 6.657 42.240 1.00109.88 C ATOM 40 CB SER 6 2.926 6.855 42.451 1.00109.88 C ATOM 41 OG SER 6 3.557 7.125 41.206 1.00109.88 O ATOM 42 C SER 6 0.835 6.179 43.534 1.00109.88 C ATOM 43 O SER 6 0.911 6.842 44.567 1.00109.88 O ATOM 44 N LEU 7 0.192 4.998 43.463 1.00187.80 N ATOM 45 CA LEU 7 -0.324 4.250 44.572 1.00187.80 C ATOM 46 CB LEU 7 0.742 4.150 45.688 1.00187.80 C ATOM 47 CG LEU 7 0.398 3.333 46.953 1.00187.80 C ATOM 48 CD1 LEU 7 1.624 3.224 47.872 1.00187.80 C ATOM 49 CD2 LEU 7 -0.792 3.911 47.729 1.00187.80 C ATOM 50 C LEU 7 -1.576 4.900 45.075 1.00187.80 C ATOM 51 O LEU 7 -2.617 4.253 45.173 1.00187.80 O ATOM 52 N LYS 8 -1.520 6.223 45.323 1.00 91.73 N ATOM 53 CA LYS 8 -2.633 6.983 45.824 1.00 91.73 C ATOM 54 CB LYS 8 -3.238 6.498 47.159 1.00 91.73 C ATOM 55 CG LYS 8 -4.251 5.354 47.072 1.00 91.73 C ATOM 56 CD LYS 8 -4.658 4.820 48.449 1.00 91.73 C ATOM 57 CE LYS 8 -5.848 3.859 48.422 1.00 91.73 C ATOM 58 NZ LYS 8 -6.228 3.484 49.804 1.00 91.73 N ATOM 59 C LYS 8 -2.105 8.340 46.135 1.00 91.73 C ATOM 60 O LYS 8 -0.897 8.571 46.121 1.00 91.73 O ATOM 61 N ASN 9 -3.019 9.280 46.435 1.00113.16 N ATOM 62 CA ASN 9 -2.600 10.606 46.769 1.00113.16 C ATOM 63 CB ASN 9 -3.703 11.641 46.496 1.00113.16 C ATOM 64 CG ASN 9 -3.109 13.027 46.658 1.00113.16 C ATOM 65 OD1 ASN 9 -2.357 13.289 47.594 1.00113.16 O ATOM 66 ND2 ASN 9 -3.450 13.945 45.714 1.00113.16 N ATOM 67 C ASN 9 -2.334 10.599 48.236 1.00113.16 C ATOM 68 O ASN 9 -3.132 11.098 49.028 1.00113.16 O ATOM 69 N THR 10 -1.180 10.035 48.638 1.00143.26 N ATOM 70 CA THR 10 -0.892 9.964 50.035 1.00143.26 C ATOM 71 CB THR 10 -0.848 8.540 50.525 1.00143.26 C ATOM 72 OG1 THR 10 -0.696 8.512 51.930 1.00143.26 O ATOM 73 CG2 THR 10 0.283 7.761 49.832 1.00143.26 C ATOM 74 C THR 10 0.417 10.648 50.279 1.00143.26 C ATOM 75 O THR 10 1.474 10.216 49.824 1.00143.26 O ATOM 76 N ILE 11 0.383 11.748 51.048 1.00110.17 N ATOM 77 CA ILE 11 1.577 12.506 51.263 1.00110.17 C ATOM 78 CB ILE 11 1.402 13.959 50.937 1.00110.17 C ATOM 79 CG1 ILE 11 0.825 14.120 49.521 1.00110.17 C ATOM 80 CG2 ILE 11 2.754 14.662 51.147 1.00110.17 C ATOM 81 CD1 ILE 11 1.620 13.407 48.430 1.00110.17 C ATOM 82 C ILE 11 1.865 12.433 52.724 1.00110.17 C ATOM 83 O ILE 11 0.947 12.344 53.538 1.00110.17 O ATOM 84 N THR 12 3.162 12.438 53.094 1.00 40.27 N ATOM 85 CA THR 12 3.510 12.365 54.482 1.00 40.27 C ATOM 86 CB THR 12 4.280 11.126 54.826 1.00 40.27 C ATOM 87 OG1 THR 12 5.512 11.086 54.120 1.00 40.27 O ATOM 88 CG2 THR 12 3.407 9.921 54.438 1.00 40.27 C ATOM 89 C THR 12 4.338 13.561 54.832 1.00 40.27 C ATOM 90 O THR 12 4.985 14.161 53.975 1.00 40.27 O ATOM 91 N SER 13 4.305 13.954 56.123 1.00 27.95 N ATOM 92 CA SER 13 5.049 15.097 56.566 1.00 27.95 C ATOM 93 CB SER 13 4.171 16.307 56.923 1.00 27.95 C ATOM 94 OG SER 13 4.986 17.388 57.346 1.00 27.95 O ATOM 95 C SER 13 5.774 14.693 57.809 1.00 27.95 C ATOM 96 O SER 13 5.459 13.672 58.420 1.00 27.95 O ATOM 97 N GLY 14 6.789 15.486 58.208 1.00 26.19 N ATOM 98 CA GLY 14 7.516 15.141 59.393 1.00 26.19 C ATOM 99 C GLY 14 8.650 16.100 59.565 1.00 26.19 C ATOM 100 O GLY 14 8.648 17.210 59.034 1.00 26.19 O ATOM 101 N ILE 15 9.665 15.668 60.335 1.00132.94 N ATOM 102 CA ILE 15 10.794 16.493 60.646 1.00132.94 C ATOM 103 CB ILE 15 10.909 16.770 62.116 1.00132.94 C ATOM 104 CG1 ILE 15 12.100 17.696 62.403 1.00132.94 C ATOM 105 CG2 ILE 15 10.971 15.420 62.845 1.00132.94 C ATOM 106 CD1 ILE 15 12.168 18.188 63.846 1.00132.94 C ATOM 107 C ILE 15 12.041 15.770 60.245 1.00132.94 C ATOM 108 O ILE 15 12.042 14.550 60.075 1.00132.94 O ATOM 109 N VAL 16 13.143 16.530 60.047 1.00122.40 N ATOM 110 CA VAL 16 14.381 15.893 59.711 1.00122.40 C ATOM 111 CB VAL 16 15.355 16.760 58.943 1.00122.40 C ATOM 112 CG1 VAL 16 15.876 17.921 59.807 1.00122.40 C ATOM 113 CG2 VAL 16 16.474 15.849 58.417 1.00122.40 C ATOM 114 C VAL 16 15.000 15.441 60.996 1.00122.40 C ATOM 115 O VAL 16 15.323 16.233 61.881 1.00122.40 O ATOM 116 N SER 17 15.133 14.112 61.140 1.00 48.34 N ATOM 117 CA SER 17 15.675 13.526 62.329 1.00 48.34 C ATOM 118 CB SER 17 15.521 11.998 62.354 1.00 48.34 C ATOM 119 OG SER 17 14.143 11.659 62.391 1.00 48.34 O ATOM 120 C SER 17 17.134 13.834 62.430 1.00 48.34 C ATOM 121 O SER 17 17.638 14.110 63.516 1.00 48.34 O ATOM 122 N PHE 18 17.860 13.793 61.299 1.00113.69 N ATOM 123 CA PHE 18 19.275 14.021 61.366 1.00113.69 C ATOM 124 CB PHE 18 20.153 13.123 60.484 1.00113.69 C ATOM 125 CG PHE 18 20.708 12.084 61.396 1.00113.69 C ATOM 126 CD1 PHE 18 19.989 10.982 61.797 1.00113.69 C ATOM 127 CD2 PHE 18 21.994 12.245 61.861 1.00113.69 C ATOM 128 CE1 PHE 18 20.558 10.059 62.646 1.00113.69 C ATOM 129 CE2 PHE 18 22.567 11.327 62.706 1.00113.69 C ATOM 130 CZ PHE 18 21.844 10.229 63.103 1.00113.69 C ATOM 131 C PHE 18 19.701 15.437 61.177 1.00113.69 C ATOM 132 O PHE 18 18.953 16.307 60.734 1.00113.69 O ATOM 133 N ALA 19 20.967 15.683 61.575 1.00 42.86 N ATOM 134 CA ALA 19 21.588 16.969 61.487 1.00 42.86 C ATOM 135 CB ALA 19 22.473 17.318 62.695 1.00 42.86 C ATOM 136 C ALA 19 22.467 16.918 60.289 1.00 42.86 C ATOM 137 O ALA 19 22.993 15.867 59.929 1.00 42.86 O ATOM 138 N GLN 20 22.644 18.075 59.634 1.00133.95 N ATOM 139 CA GLN 20 23.386 18.104 58.417 1.00133.95 C ATOM 140 CB GLN 20 23.032 19.304 57.526 1.00133.95 C ATOM 141 CG GLN 20 21.521 19.430 57.308 1.00133.95 C ATOM 142 CD GLN 20 20.919 18.029 57.271 1.00133.95 C ATOM 143 OE1 GLN 20 21.427 17.135 56.597 1.00133.95 O ATOM 144 NE2 GLN 20 19.811 17.823 58.033 1.00133.95 N ATOM 145 C GLN 20 24.848 18.132 58.734 1.00133.95 C ATOM 146 O GLN 20 25.266 17.875 59.863 1.00133.95 O ATOM 147 N ARG 21 25.661 18.443 57.707 1.00 99.34 N ATOM 148 CA ARG 21 27.092 18.417 57.797 1.00 99.34 C ATOM 149 CB ARG 21 27.773 19.035 56.566 1.00 99.34 C ATOM 150 CG ARG 21 27.262 18.466 55.238 1.00 99.34 C ATOM 151 CD ARG 21 27.986 19.036 54.017 1.00 99.34 C ATOM 152 NE ARG 21 27.185 18.705 52.805 1.00 99.34 N ATOM 153 CZ ARG 21 27.409 17.541 52.129 1.00 99.34 C ATOM 154 NH1 ARG 21 28.337 16.655 52.587 1.00 99.34 N ATOM 155 NH2 ARG 21 26.700 17.268 50.993 1.00 99.34 N ATOM 156 C ARG 21 27.499 19.206 58.999 1.00 99.34 C ATOM 157 O ARG 21 26.787 20.109 59.435 1.00 99.34 O ATOM 158 N GLY 22 28.662 18.857 59.582 1.00 31.19 N ATOM 159 CA GLY 22 29.084 19.504 60.786 1.00 31.19 C ATOM 160 C GLY 22 28.396 18.771 61.887 1.00 31.19 C ATOM 161 O GLY 22 28.268 19.263 63.007 1.00 31.19 O ATOM 162 N SER 23 27.928 17.551 61.565 1.00101.70 N ATOM 163 CA SER 23 27.214 16.736 62.499 1.00101.70 C ATOM 164 CB SER 23 26.389 15.618 61.837 1.00101.70 C ATOM 165 OG SER 23 27.256 14.685 61.208 1.00101.70 O ATOM 166 C SER 23 28.201 16.077 63.402 1.00101.70 C ATOM 167 O SER 23 29.406 16.311 63.314 1.00101.70 O ATOM 168 N LYS 24 27.681 15.243 64.322 1.00202.22 N ATOM 169 CA LYS 24 28.488 14.538 65.270 1.00202.22 C ATOM 170 CB LYS 24 27.681 13.830 66.366 1.00202.22 C ATOM 171 CG LYS 24 26.935 14.794 67.285 1.00202.22 C ATOM 172 CD LYS 24 25.917 14.098 68.187 1.00202.22 C ATOM 173 CE LYS 24 26.553 13.380 69.378 1.00202.22 C ATOM 174 NZ LYS 24 25.501 12.761 70.214 1.00202.22 N ATOM 175 C LYS 24 29.244 13.480 64.543 1.00202.22 C ATOM 176 O LYS 24 28.828 13.012 63.484 1.00202.22 O ATOM 177 N GLU 25 30.402 13.092 65.112 1.00250.60 N ATOM 178 CA GLU 25 31.247 12.109 64.505 1.00250.60 C ATOM 179 CB GLU 25 32.743 12.317 64.815 1.00250.60 C ATOM 180 CG GLU 25 33.398 13.491 64.082 1.00250.60 C ATOM 181 CD GLU 25 34.092 12.944 62.840 1.00250.60 C ATOM 182 OE1 GLU 25 34.995 12.080 63.003 1.00250.60 O ATOM 183 OE2 GLU 25 33.730 13.381 61.716 1.00250.60 O ATOM 184 C GLU 25 30.897 10.744 65.015 1.00250.60 C ATOM 185 O GLU 25 30.648 10.540 66.203 1.00250.60 O ATOM 186 N LEU 26 30.854 9.773 64.080 1.00228.44 N ATOM 187 CA LEU 26 30.654 8.385 64.383 1.00228.44 C ATOM 188 CB LEU 26 29.284 7.804 63.976 1.00228.44 C ATOM 189 CG LEU 26 28.131 8.165 64.929 1.00228.44 C ATOM 190 CD1 LEU 26 26.801 7.550 64.458 1.00228.44 C ATOM 191 CD2 LEU 26 28.477 7.764 66.373 1.00228.44 C ATOM 192 C LEU 26 31.684 7.625 63.619 1.00228.44 C ATOM 193 O LEU 26 32.414 8.184 62.800 1.00228.44 O ATOM 194 N GLY 27 31.788 6.314 63.900 1.00123.02 N ATOM 195 CA GLY 27 32.726 5.514 63.173 1.00123.02 C ATOM 196 C GLY 27 32.296 5.597 61.749 1.00123.02 C ATOM 197 O GLY 27 33.118 5.701 60.840 1.00123.02 O ATOM 198 N LEU 28 30.969 5.545 61.524 1.00184.09 N ATOM 199 CA LEU 28 30.453 5.672 60.195 1.00184.09 C ATOM 200 CB LEU 28 29.009 5.152 60.064 1.00184.09 C ATOM 201 CG LEU 28 28.849 3.686 60.508 1.00184.09 C ATOM 202 CD1 LEU 28 27.414 3.176 60.290 1.00184.09 C ATOM 203 CD2 LEU 28 29.917 2.788 59.865 1.00184.09 C ATOM 204 C LEU 28 30.425 7.140 59.935 1.00184.09 C ATOM 205 O LEU 28 29.832 7.898 60.701 1.00184.09 O ATOM 206 N SER 29 31.076 7.591 58.846 1.00142.03 N ATOM 207 CA SER 29 31.129 9.002 58.616 1.00142.03 C ATOM 208 CB SER 29 32.083 9.405 57.481 1.00142.03 C ATOM 209 OG SER 29 32.078 10.816 57.320 1.00142.03 O ATOM 210 C SER 29 29.765 9.461 58.234 1.00142.03 C ATOM 211 O SER 29 29.208 9.020 57.230 1.00142.03 O ATOM 212 N ASN 30 29.184 10.350 59.063 1.00 79.61 N ATOM 213 CA ASN 30 27.903 10.932 58.795 1.00 79.61 C ATOM 214 CB ASN 30 27.331 11.701 59.998 1.00 79.61 C ATOM 215 CG ASN 30 25.864 11.982 59.705 1.00 79.61 C ATOM 216 OD1 ASN 30 25.029 11.082 59.764 1.00 79.61 O ATOM 217 ND2 ASN 30 25.536 13.262 59.382 1.00 79.61 N ATOM 218 C ASN 30 28.069 11.919 57.683 1.00 79.61 C ATOM 219 O ASN 30 27.207 12.059 56.816 1.00 79.61 O ATOM 220 N SER 31 29.217 12.621 57.693 1.00 73.04 N ATOM 221 CA SER 31 29.520 13.691 56.786 1.00 73.04 C ATOM 222 CB SER 31 30.837 14.414 57.118 1.00 73.04 C ATOM 223 OG SER 31 31.938 13.542 56.916 1.00 73.04 O ATOM 224 C SER 31 29.640 13.195 55.374 1.00 73.04 C ATOM 225 O SER 31 29.525 13.987 54.441 1.00 73.04 O ATOM 226 N ASN 32 29.859 11.880 55.163 1.00176.02 N ATOM 227 CA ASN 32 30.017 11.351 53.827 1.00176.02 C ATOM 228 CB ASN 32 30.508 9.897 53.792 1.00176.02 C ATOM 229 CG ASN 32 31.952 9.893 54.262 1.00176.02 C ATOM 230 OD1 ASN 32 32.619 10.925 54.252 1.00176.02 O ATOM 231 ND2 ASN 32 32.453 8.699 54.680 1.00176.02 N ATOM 232 C ASN 32 28.672 11.386 53.176 1.00176.02 C ATOM 233 O ASN 32 27.903 12.301 53.454 1.00176.02 O ATOM 234 N MET 33 28.377 10.440 52.247 1.00150.79 N ATOM 235 CA MET 33 27.076 10.409 51.624 1.00150.79 C ATOM 236 CB MET 33 26.859 9.171 50.739 1.00150.79 C ATOM 237 CG MET 33 25.520 9.149 50.004 1.00150.79 C ATOM 238 SD MET 33 25.215 7.609 49.087 1.00150.79 S ATOM 239 CE MET 33 26.635 7.793 47.970 1.00150.79 C ATOM 240 C MET 33 26.146 10.309 52.769 1.00150.79 C ATOM 241 O MET 33 25.988 9.255 53.383 1.00150.79 O ATOM 242 N ASP 34 25.493 11.434 53.074 1.00108.50 N ATOM 243 CA ASP 34 24.711 11.473 54.254 1.00108.50 C ATOM 244 CB ASP 34 25.020 12.695 55.136 1.00108.50 C ATOM 245 CG ASP 34 24.148 12.623 56.379 1.00108.50 C ATOM 246 OD1 ASP 34 24.011 11.506 56.946 1.00108.50 O ATOM 247 OD2 ASP 34 23.615 13.690 56.787 1.00108.50 O ATOM 248 C ASP 34 23.304 11.596 53.824 1.00108.50 C ATOM 249 O ASP 34 22.903 12.627 53.295 1.00108.50 O ATOM 250 N TYR 35 22.523 10.529 54.030 1.00 93.31 N ATOM 251 CA TYR 35 21.133 10.568 53.708 1.00 93.31 C ATOM 252 CB TYR 35 20.399 9.235 53.926 1.00 93.31 C ATOM 253 CG TYR 35 20.855 8.191 52.969 1.00 93.31 C ATOM 254 CD1 TYR 35 22.056 7.543 53.142 1.00 93.31 C ATOM 255 CD2 TYR 35 20.052 7.840 51.907 1.00 93.31 C ATOM 256 CE1 TYR 35 22.454 6.569 52.258 1.00 93.31 C ATOM 257 CE2 TYR 35 20.445 6.866 51.020 1.00 93.31 C ATOM 258 CZ TYR 35 21.650 6.231 51.195 1.00 93.31 C ATOM 259 OH TYR 35 22.061 5.229 50.291 1.00 93.31 O ATOM 260 C TYR 35 20.499 11.498 54.686 1.00 93.31 C ATOM 261 O TYR 35 21.000 11.669 55.798 1.00 93.31 O ATOM 262 N ILE 36 19.416 12.187 54.264 1.00 72.61 N ATOM 263 CA ILE 36 18.680 12.973 55.211 1.00 72.61 C ATOM 264 CB ILE 36 17.954 14.154 54.627 1.00 72.61 C ATOM 265 CG1 ILE 36 18.969 15.178 54.091 1.00 72.61 C ATOM 266 CG2 ILE 36 17.017 14.728 55.706 1.00 72.61 C ATOM 267 CD1 ILE 36 18.345 16.330 53.305 1.00 72.61 C ATOM 268 C ILE 36 17.668 12.032 55.780 1.00 72.61 C ATOM 269 O ILE 36 16.956 11.356 55.039 1.00 72.61 O ATOM 270 N GLN 37 17.598 11.946 57.122 1.00 69.79 N ATOM 271 CA GLN 37 16.712 11.001 57.744 1.00 69.79 C ATOM 272 CB GLN 37 17.319 10.325 58.986 1.00 69.79 C ATOM 273 CG GLN 37 18.609 9.565 58.668 1.00 69.79 C ATOM 274 CD GLN 37 19.058 8.782 59.894 1.00 69.79 C ATOM 275 OE1 GLN 37 18.241 8.260 60.651 1.00 69.79 O ATOM 276 NE2 GLN 37 20.400 8.695 60.095 1.00 69.79 N ATOM 277 C GLN 37 15.490 11.734 58.179 1.00 69.79 C ATOM 278 O GLN 37 15.580 12.825 58.740 1.00 69.79 O ATOM 279 N THR 38 14.305 11.146 57.914 1.00 87.63 N ATOM 280 CA THR 38 13.083 11.813 58.252 1.00 87.63 C ATOM 281 CB THR 38 12.388 12.384 57.053 1.00 87.63 C ATOM 282 OG1 THR 38 13.245 13.255 56.343 1.00 87.63 O ATOM 283 CG2 THR 38 11.158 13.168 57.517 1.00 87.63 C ATOM 284 C THR 38 12.108 10.818 58.799 1.00 87.63 C ATOM 285 O THR 38 12.149 9.629 58.483 1.00 87.63 O ATOM 286 N ASP 39 11.212 11.329 59.663 1.00148.27 N ATOM 287 CA ASP 39 10.106 10.648 60.267 1.00148.27 C ATOM 288 CB ASP 39 9.375 11.528 61.300 1.00148.27 C ATOM 289 CG ASP 39 10.338 12.025 62.365 1.00148.27 C ATOM 290 OD1 ASP 39 11.538 11.648 62.310 1.00148.27 O ATOM 291 OD2 ASP 39 9.884 12.805 63.245 1.00148.27 O ATOM 292 C ASP 39 9.080 10.457 59.196 1.00148.27 C ATOM 293 O ASP 39 8.230 9.575 59.287 1.00148.27 O ATOM 294 N ALA 40 9.082 11.342 58.180 1.00 66.05 N ATOM 295 CA ALA 40 8.066 11.269 57.165 1.00 66.05 C ATOM 296 CB ALA 40 8.157 12.398 56.124 1.00 66.05 C ATOM 297 C ALA 40 8.229 9.978 56.426 1.00 66.05 C ATOM 298 O ALA 40 9.304 9.685 55.907 1.00 66.05 O ATOM 299 N THR 41 7.135 9.192 56.306 1.00107.24 N ATOM 300 CA THR 41 7.246 7.884 55.719 1.00107.24 C ATOM 301 CB THR 41 6.069 6.983 55.975 1.00107.24 C ATOM 302 OG1 THR 41 6.392 5.645 55.624 1.00107.24 O ATOM 303 CG2 THR 41 4.875 7.466 55.139 1.00107.24 C ATOM 304 C THR 41 7.442 7.968 54.239 1.00107.24 C ATOM 305 O THR 41 6.808 8.760 53.542 1.00107.24 O ATOM 306 N ILE 42 8.358 7.119 53.730 1.00 52.83 N ATOM 307 CA ILE 42 8.659 7.065 52.330 1.00 52.83 C ATOM 308 CB ILE 42 10.081 7.430 52.016 1.00 52.83 C ATOM 309 CG1 ILE 42 10.346 8.907 52.354 1.00 52.83 C ATOM 310 CG2 ILE 42 10.362 7.055 50.552 1.00 52.83 C ATOM 311 CD1 ILE 42 11.829 9.279 52.336 1.00 52.83 C ATOM 312 C ILE 42 8.465 5.652 51.885 1.00 52.83 C ATOM 313 O ILE 42 8.971 4.720 52.509 1.00 52.83 O ATOM 314 N ASP 43 7.694 5.470 50.794 1.00 93.58 N ATOM 315 CA ASP 43 7.451 4.163 50.260 1.00 93.58 C ATOM 316 CB ASP 43 6.211 3.476 50.871 1.00 93.58 C ATOM 317 CG ASP 43 4.942 4.274 50.575 1.00 93.58 C ATOM 318 OD1 ASP 43 5.031 5.368 49.955 1.00 93.58 O ATOM 319 OD2 ASP 43 3.851 3.784 50.974 1.00 93.58 O ATOM 320 C ASP 43 7.252 4.280 48.777 1.00 93.58 C ATOM 321 O ASP 43 7.592 5.284 48.152 1.00 93.58 O ATOM 322 N PHE 44 6.632 3.245 48.186 1.00 74.10 N ATOM 323 CA PHE 44 6.380 3.155 46.776 1.00 74.10 C ATOM 324 CB PHE 44 5.544 1.914 46.428 1.00 74.10 C ATOM 325 CG PHE 44 5.082 2.056 45.021 1.00 74.10 C ATOM 326 CD1 PHE 44 5.884 1.683 43.970 1.00 74.10 C ATOM 327 CD2 PHE 44 3.833 2.569 44.758 1.00 74.10 C ATOM 328 CE1 PHE 44 5.446 1.818 42.675 1.00 74.10 C ATOM 329 CE2 PHE 44 3.389 2.707 43.464 1.00 74.10 C ATOM 330 CZ PHE 44 4.196 2.332 42.419 1.00 74.10 C ATOM 331 C PHE 44 5.581 4.352 46.377 1.00 74.10 C ATOM 332 O PHE 44 5.700 4.856 45.260 1.00 74.10 O ATOM 333 N GLY 45 4.721 4.821 47.290 1.00 64.71 N ATOM 334 CA GLY 45 3.844 5.921 47.023 1.00 64.71 C ATOM 335 C GLY 45 4.596 7.182 46.696 1.00 64.71 C ATOM 336 O GLY 45 4.104 7.984 45.902 1.00 64.71 O ATOM 337 N ASN 46 5.761 7.452 47.328 1.00128.16 N ATOM 338 CA ASN 46 6.374 8.712 46.994 1.00128.16 C ATOM 339 CB ASN 46 6.162 9.766 48.093 1.00128.16 C ATOM 340 CG ASN 46 6.784 9.244 49.379 1.00128.16 C ATOM 341 OD1 ASN 46 7.289 8.123 49.431 1.00128.16 O ATOM 342 ND2 ASN 46 6.724 10.071 50.457 1.00128.16 N ATOM 343 C ASN 46 7.852 8.601 46.748 1.00128.16 C ATOM 344 O ASN 46 8.543 9.620 46.726 1.00128.16 O ATOM 345 N SER 47 8.389 7.391 46.500 1.00 40.41 N ATOM 346 CA SER 47 9.804 7.309 46.271 1.00 40.41 C ATOM 347 CB SER 47 10.326 5.864 46.161 1.00 40.41 C ATOM 348 OG SER 47 9.765 5.232 45.020 1.00 40.41 O ATOM 349 C SER 47 10.087 7.997 44.975 1.00 40.41 C ATOM 350 O SER 47 9.284 7.943 44.044 1.00 40.41 O ATOM 351 N GLY 48 11.239 8.692 44.890 1.00 20.25 N ATOM 352 CA GLY 48 11.598 9.366 43.679 1.00 20.25 C ATOM 353 C GLY 48 11.030 10.749 43.730 1.00 20.25 C ATOM 354 O GLY 48 11.413 11.613 42.943 1.00 20.25 O ATOM 355 N GLY 49 10.098 10.993 44.670 1.00 24.75 N ATOM 356 CA GLY 49 9.502 12.293 44.784 1.00 24.75 C ATOM 357 C GLY 49 10.440 13.126 45.591 1.00 24.75 C ATOM 358 O GLY 49 11.418 12.623 46.143 1.00 24.75 O ATOM 359 N PRO 50 10.182 14.402 45.646 1.00 84.23 N ATOM 360 CA PRO 50 11.036 15.273 46.406 1.00 84.23 C ATOM 361 CD PRO 50 9.583 15.083 44.511 1.00 84.23 C ATOM 362 CB PRO 50 10.987 16.633 45.707 1.00 84.23 C ATOM 363 CG PRO 50 9.716 16.575 44.845 1.00 84.23 C ATOM 364 C PRO 50 10.685 15.366 47.858 1.00 84.23 C ATOM 365 O PRO 50 9.512 15.242 48.206 1.00 84.23 O ATOM 366 N LEU 51 11.697 15.606 48.716 1.00 66.03 N ATOM 367 CA LEU 51 11.455 15.866 50.103 1.00 66.03 C ATOM 368 CB LEU 51 12.484 15.208 51.043 1.00 66.03 C ATOM 369 CG LEU 51 12.214 15.438 52.544 1.00 66.03 C ATOM 370 CD1 LEU 51 10.882 14.803 52.980 1.00 66.03 C ATOM 371 CD2 LEU 51 13.401 14.969 53.402 1.00 66.03 C ATOM 372 C LEU 51 11.612 17.351 50.171 1.00 66.03 C ATOM 373 O LEU 51 12.682 17.877 49.868 1.00 66.03 O ATOM 374 N ILE 52 10.542 18.077 50.556 1.00154.37 N ATOM 375 CA ILE 52 10.617 19.509 50.479 1.00154.37 C ATOM 376 CB ILE 52 9.588 20.127 49.566 1.00154.37 C ATOM 377 CG1 ILE 52 8.158 19.838 50.053 1.00154.37 C ATOM 378 CG2 ILE 52 9.867 19.633 48.135 1.00154.37 C ATOM 379 CD1 ILE 52 7.779 18.357 50.035 1.00154.37 C ATOM 380 C ILE 52 10.477 20.131 51.833 1.00154.37 C ATOM 381 O ILE 52 9.757 19.638 52.699 1.00154.37 O ATOM 382 N ASN 53 11.218 21.242 52.035 1.00 69.29 N ATOM 383 CA ASN 53 11.243 21.995 53.258 1.00 69.29 C ATOM 384 CB ASN 53 12.583 22.726 53.492 1.00 69.29 C ATOM 385 CG ASN 53 12.881 23.679 52.334 1.00 69.29 C ATOM 386 OD1 ASN 53 11.994 24.088 51.585 1.00 69.29 O ATOM 387 ND2 ASN 53 14.185 24.031 52.174 1.00 69.29 N ATOM 388 C ASN 53 10.125 22.992 53.266 1.00 69.29 C ATOM 389 O ASN 53 9.304 23.051 52.352 1.00 69.29 O ATOM 390 N LEU 54 10.070 23.794 54.346 1.00 82.77 N ATOM 391 CA LEU 54 9.055 24.784 54.561 1.00 82.77 C ATOM 392 CB LEU 54 9.230 25.515 55.902 1.00 82.77 C ATOM 393 CG LEU 54 9.072 24.595 57.126 1.00 82.77 C ATOM 394 CD1 LEU 54 10.151 23.500 57.158 1.00 82.77 C ATOM 395 CD2 LEU 54 9.021 25.413 58.423 1.00 82.77 C ATOM 396 C LEU 54 9.132 25.815 53.478 1.00 82.77 C ATOM 397 O LEU 54 8.106 26.333 53.034 1.00 82.77 O ATOM 398 N ASP 55 10.358 26.149 53.035 1.00 47.75 N ATOM 399 CA ASP 55 10.556 27.122 52.000 1.00 47.75 C ATOM 400 CB ASP 55 12.041 27.437 51.731 1.00 47.75 C ATOM 401 CG ASP 55 12.536 28.345 52.851 1.00 47.75 C ATOM 402 OD1 ASP 55 11.683 28.830 53.641 1.00 47.75 O ATOM 403 OD2 ASP 55 13.773 28.576 52.922 1.00 47.75 O ATOM 404 C ASP 55 9.935 26.590 50.746 1.00 47.75 C ATOM 405 O ASP 55 9.542 27.358 49.869 1.00 47.75 O ATOM 406 N GLY 56 9.832 25.253 50.615 1.00 23.48 N ATOM 407 CA GLY 56 9.220 24.709 49.434 1.00 23.48 C ATOM 408 C GLY 56 10.302 24.337 48.478 1.00 23.48 C ATOM 409 O GLY 56 10.054 24.097 47.297 1.00 23.48 O ATOM 410 N GLU 57 11.546 24.290 48.984 1.00 46.26 N ATOM 411 CA GLU 57 12.669 23.941 48.167 1.00 46.26 C ATOM 412 CB GLU 57 13.942 24.694 48.571 1.00 46.26 C ATOM 413 CG GLU 57 13.783 26.209 48.440 1.00 46.26 C ATOM 414 CD GLU 57 15.074 26.871 48.895 1.00 46.26 C ATOM 415 OE1 GLU 57 16.116 26.166 48.954 1.00 46.26 O ATOM 416 OE2 GLU 57 15.035 28.095 49.190 1.00 46.26 O ATOM 417 C GLU 57 12.913 22.479 48.360 1.00 46.26 C ATOM 418 O GLU 57 12.551 21.911 49.389 1.00 46.26 O ATOM 419 N VAL 58 13.525 21.818 47.357 1.00 53.36 N ATOM 420 CA VAL 58 13.735 20.405 47.489 1.00 53.36 C ATOM 421 CB VAL 58 13.675 19.673 46.182 1.00 53.36 C ATOM 422 CG1 VAL 58 13.987 18.190 46.438 1.00 53.36 C ATOM 423 CG2 VAL 58 12.292 19.918 45.555 1.00 53.36 C ATOM 424 C VAL 58 15.085 20.156 48.087 1.00 53.36 C ATOM 425 O VAL 58 16.114 20.458 47.486 1.00 53.36 O ATOM 426 N ILE 59 15.070 19.670 49.346 1.00 89.66 N ATOM 427 CA ILE 59 16.182 19.260 50.160 1.00 89.66 C ATOM 428 CB ILE 59 15.831 19.186 51.611 1.00 89.66 C ATOM 429 CG1 ILE 59 14.737 18.132 51.829 1.00 89.66 C ATOM 430 CG2 ILE 59 15.440 20.598 52.074 1.00 89.66 C ATOM 431 CD1 ILE 59 14.569 17.715 53.288 1.00 89.66 C ATOM 432 C ILE 59 16.700 17.905 49.772 1.00 89.66 C ATOM 433 O ILE 59 17.883 17.616 49.947 1.00 89.66 O ATOM 434 N GLY 60 15.812 16.986 49.336 1.00 35.32 N ATOM 435 CA GLY 60 16.307 15.669 49.041 1.00 35.32 C ATOM 436 C GLY 60 15.348 14.940 48.150 1.00 35.32 C ATOM 437 O GLY 60 14.268 15.433 47.828 1.00 35.32 O ATOM 438 N ILE 61 15.758 13.723 47.725 1.00 95.99 N ATOM 439 CA ILE 61 14.955 12.875 46.887 1.00 95.99 C ATOM 440 CB ILE 61 15.678 12.381 45.656 1.00 95.99 C ATOM 441 CG1 ILE 61 14.725 11.563 44.769 1.00 95.99 C ATOM 442 CG2 ILE 61 16.947 11.623 46.076 1.00 95.99 C ATOM 443 CD1 ILE 61 15.291 11.263 43.381 1.00 95.99 C ATOM 444 C ILE 61 14.552 11.684 47.711 1.00 95.99 C ATOM 445 O ILE 61 15.396 10.958 48.230 1.00 95.99 O ATOM 446 N ASN 62 13.231 11.444 47.854 1.00 76.76 N ATOM 447 CA ASN 62 12.772 10.365 48.695 1.00 76.76 C ATOM 448 CB ASN 62 11.240 10.270 48.773 1.00 76.76 C ATOM 449 CG ASN 62 10.729 11.560 49.394 1.00 76.76 C ATOM 450 OD1 ASN 62 11.258 12.039 50.395 1.00 76.76 O ATOM 451 ND2 ASN 62 9.674 12.151 48.772 1.00 76.76 N ATOM 452 C ASN 62 13.273 9.067 48.136 1.00 76.76 C ATOM 453 O ASN 62 12.943 8.712 47.006 1.00 76.76 O ATOM 454 N THR 63 14.213 8.407 48.855 1.00102.86 N ATOM 455 CA THR 63 14.755 7.134 48.449 1.00102.86 C ATOM 456 CB THR 63 16.202 7.011 48.822 1.00102.86 C ATOM 457 OG1 THR 63 16.935 8.083 48.248 1.00102.86 O ATOM 458 CG2 THR 63 16.740 5.672 48.291 1.00102.86 C ATOM 459 C THR 63 14.053 5.896 48.956 1.00102.86 C ATOM 460 O THR 63 13.579 5.078 48.168 1.00102.86 O ATOM 461 N MET 64 13.937 5.732 50.299 1.00150.67 N ATOM 462 CA MET 64 13.423 4.474 50.784 1.00150.67 C ATOM 463 CB MET 64 14.381 3.292 50.563 1.00150.67 C ATOM 464 CG MET 64 15.686 3.411 51.355 1.00150.67 C ATOM 465 SD MET 64 16.822 2.009 51.141 1.00150.67 S ATOM 466 CE MET 64 18.102 2.698 52.226 1.00150.67 C ATOM 467 C MET 64 13.161 4.520 52.258 1.00150.67 C ATOM 468 O MET 64 13.631 5.402 52.975 1.00150.67 O ATOM 469 N LYS 65 12.386 3.527 52.752 1.00 88.21 N ATOM 470 CA LYS 65 12.101 3.472 54.154 1.00 88.21 C ATOM 471 CB LYS 65 10.624 3.206 54.474 1.00 88.21 C ATOM 472 CG LYS 65 10.331 3.176 55.974 1.00 88.21 C ATOM 473 CD LYS 65 8.858 3.413 56.304 1.00 88.21 C ATOM 474 CE LYS 65 7.900 2.493 55.549 1.00 88.21 C ATOM 475 NZ LYS 65 6.505 2.822 55.913 1.00 88.21 N ATOM 476 C LYS 65 12.918 2.370 54.731 1.00 88.21 C ATOM 477 O LYS 65 12.672 1.192 54.471 1.00 88.21 O ATOM 478 N VAL 66 13.959 2.748 55.497 1.00126.73 N ATOM 479 CA VAL 66 14.815 1.771 56.090 1.00126.73 C ATOM 480 CB VAL 66 16.106 2.348 56.580 1.00126.73 C ATOM 481 CG1 VAL 66 16.947 2.687 55.341 1.00126.73 C ATOM 482 CG2 VAL 66 15.804 3.594 57.423 1.00126.73 C ATOM 483 C VAL 66 14.130 1.020 57.185 1.00126.73 C ATOM 484 O VAL 66 14.132 -0.210 57.185 1.00126.73 O ATOM 485 N THR 67 13.502 1.734 58.140 1.00 47.37 N ATOM 486 CA THR 67 12.870 1.059 59.236 1.00 47.37 C ATOM 487 CB THR 67 13.810 0.858 60.397 1.00 47.37 C ATOM 488 OG1 THR 67 14.958 0.155 59.947 1.00 47.37 O ATOM 489 CG2 THR 67 13.130 0.037 61.507 1.00 47.37 C ATOM 490 C THR 67 11.734 1.926 59.674 1.00 47.37 C ATOM 491 O THR 67 11.600 3.062 59.222 1.00 47.37 O ATOM 492 N ALA 68 10.864 1.411 60.563 1.00 32.33 N ATOM 493 CA ALA 68 9.763 2.221 60.978 1.00 32.33 C ATOM 494 CB ALA 68 8.826 1.517 61.971 1.00 32.33 C ATOM 495 C ALA 68 10.323 3.431 61.651 1.00 32.33 C ATOM 496 O ALA 68 11.166 3.335 62.542 1.00 32.33 O ATOM 497 N GLY 69 9.855 4.614 61.219 1.00 25.72 N ATOM 498 CA GLY 69 10.268 5.846 61.819 1.00 25.72 C ATOM 499 C GLY 69 11.451 6.396 61.089 1.00 25.72 C ATOM 500 O GLY 69 11.769 7.574 61.243 1.00 25.72 O ATOM 501 N ILE 70 12.149 5.575 60.279 1.00 61.50 N ATOM 502 CA ILE 70 13.283 6.142 59.608 1.00 61.50 C ATOM 503 CB ILE 70 14.607 5.607 60.090 1.00 61.50 C ATOM 504 CG1 ILE 70 14.842 6.016 61.556 1.00 61.50 C ATOM 505 CG2 ILE 70 15.706 6.103 59.139 1.00 61.50 C ATOM 506 CD1 ILE 70 16.122 5.439 62.160 1.00 61.50 C ATOM 507 C ILE 70 13.182 5.909 58.131 1.00 61.50 C ATOM 508 O ILE 70 13.085 4.776 57.661 1.00 61.50 O ATOM 509 N SER 71 13.208 7.013 57.358 1.00 52.94 N ATOM 510 CA SER 71 13.168 6.944 55.925 1.00 52.94 C ATOM 511 CB SER 71 11.891 7.546 55.312 1.00 52.94 C ATOM 512 OG SER 71 10.756 6.796 55.721 1.00 52.94 O ATOM 513 C SER 71 14.330 7.756 55.443 1.00 52.94 C ATOM 514 O SER 71 14.736 8.708 56.110 1.00 52.94 O ATOM 515 N PHE 72 14.910 7.394 54.276 1.00147.04 N ATOM 516 CA PHE 72 16.051 8.132 53.809 1.00147.04 C ATOM 517 CB PHE 72 17.316 7.302 53.509 1.00147.04 C ATOM 518 CG PHE 72 17.899 6.775 54.774 1.00147.04 C ATOM 519 CD1 PHE 72 18.195 7.627 55.810 1.00147.04 C ATOM 520 CD2 PHE 72 18.116 5.427 54.942 1.00147.04 C ATOM 521 CE1 PHE 72 18.730 7.153 56.984 1.00147.04 C ATOM 522 CE2 PHE 72 18.655 4.953 56.115 1.00147.04 C ATOM 523 CZ PHE 72 18.968 5.812 57.139 1.00147.04 C ATOM 524 C PHE 72 15.742 8.858 52.534 1.00147.04 C ATOM 525 O PHE 72 14.888 8.452 51.746 1.00147.04 O ATOM 526 N ALA 73 16.452 9.991 52.331 1.00 44.48 N ATOM 527 CA ALA 73 16.336 10.800 51.150 1.00 44.48 C ATOM 528 CB ALA 73 15.479 12.062 51.362 1.00 44.48 C ATOM 529 C ALA 73 17.718 11.276 50.810 1.00 44.48 C ATOM 530 O ALA 73 18.511 11.596 51.694 1.00 44.48 O ATOM 531 N ILE 74 18.037 11.355 49.502 1.00106.99 N ATOM 532 CA ILE 74 19.341 11.782 49.071 1.00106.99 C ATOM 533 CB ILE 74 19.683 11.331 47.683 1.00106.99 C ATOM 534 CG1 ILE 74 19.671 9.797 47.620 1.00106.99 C ATOM 535 CG2 ILE 74 21.041 11.944 47.301 1.00106.99 C ATOM 536 CD1 ILE 74 20.666 9.155 48.585 1.00106.99 C ATOM 537 C ILE 74 19.366 13.277 49.088 1.00106.99 C ATOM 538 O ILE 74 18.410 13.928 48.672 1.00106.99 O ATOM 539 N PRO 75 20.437 13.851 49.570 1.00 67.44 N ATOM 540 CA PRO 75 20.479 15.284 49.647 1.00 67.44 C ATOM 541 CD PRO 75 21.193 13.244 50.651 1.00 67.44 C ATOM 542 CB PRO 75 21.673 15.632 50.520 1.00 67.44 C ATOM 543 CG PRO 75 21.755 14.426 51.464 1.00 67.44 C ATOM 544 C PRO 75 20.492 15.920 48.303 1.00 67.44 C ATOM 545 O PRO 75 21.015 15.325 47.364 1.00 67.44 O ATOM 546 N SER 76 19.907 17.127 48.195 1.00 22.91 N ATOM 547 CA SER 76 19.856 17.810 46.941 1.00 22.91 C ATOM 548 CB SER 76 18.872 18.992 46.930 1.00 22.91 C ATOM 549 OG SER 76 19.222 19.924 47.941 1.00 22.91 O ATOM 550 C SER 76 21.254 18.333 46.646 1.00 22.91 C ATOM 551 O SER 76 21.396 19.555 46.371 1.00 22.91 O ATOM 552 OXT SER 76 22.204 17.509 46.688 1.00 22.91 O