USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= -0.444 USER MOD Set 1.2: A 91 THR OG1 : rot -76:sc= 0.0386 USER MOD Set 2.1: A 13 ASN : amide:sc= -1.64 K(o=-3,f=-1.6) USER MOD Set 2.2: A 86 TYR OH : rot 30:sc= -1.34 USER MOD Set 3.1: A 36 HIS : no HD1:sc= -4.25 X(o=-7.8,f=-8.2) USER MOD Set 3.2: A 61 GLN : amide:sc= -3.59 X(o=-7.8,f=-8.3) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 170:sc= -0.33 (180deg=-0.897) USER MOD Set 4.2: A 28 MET CE :methyl 152:sc= -0.991 (180deg=-2.99!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 162:sc=-0.00762 (180deg=-0.089) USER MOD Single : A 12 SER OG : rot 101:sc= 1.27 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-7!) USER MOD Single : A 23 TYR OH : rot -86:sc= 1.82 USER MOD Single : A 27 THR OG1 : rot -160:sc= -1.44! USER MOD Single : A 38 SER OG : rot 134:sc= 0.0194 USER MOD Single : A 44 MET CE :methyl -127:sc= -4.22! (180deg=-11.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -9:sc= 0.826! USER MOD Single : A 65 ASN : amide:sc= -1.63 X(o=-1.6,f=-2.1) USER MOD Single : A 70 THR OG1 : rot -81:sc= -0.557! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -117:sc= -0.0175 (180deg=-0.338) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.247 K(o=-0.25,f=-5.9!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 30:sc=0.000458 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 6.657 14.690 28.580 1.00 0.00 N ATOM 34 CA LYS A 3 8.056 14.456 28.239 1.00 0.00 C ATOM 35 C LYS A 3 8.900 15.668 28.605 1.00 0.00 C ATOM 36 O LYS A 3 9.911 15.952 27.962 1.00 0.00 O ATOM 37 CB LYS A 3 8.189 14.162 26.748 1.00 0.00 C ATOM 38 CG LYS A 3 8.549 12.700 26.502 1.00 0.00 C ATOM 39 CD LYS A 3 7.836 12.156 25.268 1.00 0.00 C ATOM 40 CE LYS A 3 6.480 11.558 25.631 1.00 0.00 C ATOM 41 NZ LYS A 3 5.449 11.897 24.610 1.00 0.00 N ATOM 0 HA LYS A 3 8.413 13.596 28.805 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.252 14.398 26.243 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.955 14.805 26.315 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.627 12.605 26.374 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.278 12.104 27.374 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.700 12.957 24.541 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.456 11.396 24.793 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.569 10.475 25.716 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.165 11.930 26.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.538 11.477 24.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.349 12.930 24.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.740 11.521 23.685 1.00 0.00 H new ATOM 55 N VAL A 4 8.481 16.379 29.645 1.00 0.00 N ATOM 56 CA VAL A 4 9.199 17.563 30.104 1.00 0.00 C ATOM 57 C VAL A 4 10.267 17.168 31.113 1.00 0.00 C ATOM 58 O VAL A 4 10.476 15.984 31.380 1.00 0.00 O ATOM 59 CB VAL A 4 8.226 18.552 30.738 1.00 0.00 C ATOM 60 CG1 VAL A 4 7.261 19.101 29.690 1.00 0.00 C ATOM 61 CG2 VAL A 4 7.459 17.891 31.878 1.00 0.00 C ATOM 0 H VAL A 4 7.646 16.156 30.187 1.00 0.00 H new ATOM 0 HA VAL A 4 9.679 18.037 29.248 1.00 0.00 H new ATOM 0 HB VAL A 4 8.799 19.384 31.146 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.575 19.805 30.161 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.824 19.611 28.909 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.694 18.280 29.251 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.770 18.611 32.318 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.897 17.040 31.493 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.161 17.549 32.638 1.00 0.00 H new ATOM 71 N THR A 5 10.942 18.165 31.673 1.00 0.00 N ATOM 72 CA THR A 5 11.991 17.920 32.656 1.00 0.00 C ATOM 73 C THR A 5 12.370 19.215 33.360 1.00 0.00 C ATOM 74 O THR A 5 12.332 20.292 32.765 1.00 0.00 O ATOM 75 CB THR A 5 13.217 17.324 31.972 1.00 0.00 C ATOM 76 OG1 THR A 5 13.234 17.690 30.601 1.00 0.00 O ATOM 77 CG2 THR A 5 13.229 15.805 32.108 1.00 0.00 C ATOM 0 H THR A 5 10.782 19.150 31.463 1.00 0.00 H new ATOM 0 HA THR A 5 11.616 17.214 33.397 1.00 0.00 H new ATOM 0 HB THR A 5 14.109 17.719 32.459 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.025 17.305 30.169 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.112 15.402 31.613 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.250 15.534 33.164 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.333 15.391 31.645 1.00 0.00 H new ATOM 85 N PHE A 6 12.738 19.103 34.632 1.00 0.00 N ATOM 86 CA PHE A 6 13.128 20.264 35.423 1.00 0.00 C ATOM 87 C PHE A 6 14.569 20.120 35.894 1.00 0.00 C ATOM 88 O PHE A 6 15.103 19.012 35.958 1.00 0.00 O ATOM 89 CB PHE A 6 12.197 20.412 36.622 1.00 0.00 C ATOM 90 CG PHE A 6 10.799 20.821 36.231 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.952 19.909 35.621 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.361 22.111 36.482 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.669 20.288 35.263 1.00 0.00 C ATOM 94 CE2 PHE A 6 9.077 22.489 36.123 1.00 0.00 C ATOM 95 CZ PHE A 6 8.232 21.577 35.514 1.00 0.00 C ATOM 0 H PHE A 6 12.774 18.218 35.138 1.00 0.00 H new ATOM 0 HA PHE A 6 13.051 21.156 34.802 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.156 19.467 37.163 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.609 21.153 37.307 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.293 18.903 35.425 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.020 22.822 36.957 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.009 19.577 34.788 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.736 23.495 36.318 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.231 21.872 35.235 1.00 0.00 H new ATOM 105 N THR A 7 15.197 21.244 36.221 1.00 0.00 N ATOM 106 CA THR A 7 16.581 21.240 36.684 1.00 0.00 C ATOM 107 C THR A 7 16.827 22.409 37.627 1.00 0.00 C ATOM 108 O THR A 7 16.938 23.556 37.194 1.00 0.00 O ATOM 109 CB THR A 7 17.529 21.325 35.491 1.00 0.00 C ATOM 110 OG1 THR A 7 17.253 20.274 34.577 1.00 0.00 O ATOM 111 CG2 THR A 7 18.983 21.253 35.946 1.00 0.00 C ATOM 0 H THR A 7 14.771 22.169 36.174 1.00 0.00 H new ATOM 0 HA THR A 7 16.767 20.311 37.223 1.00 0.00 H new ATOM 0 HB THR A 7 17.372 22.283 34.995 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.864 20.336 33.813 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.639 21.316 35.078 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.194 22.082 36.621 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.156 20.310 36.464 1.00 0.00 H new ATOM 119 N VAL A 8 16.908 22.112 38.919 1.00 0.00 N ATOM 120 CA VAL A 8 17.139 23.140 39.927 1.00 0.00 C ATOM 121 C VAL A 8 18.389 23.942 39.591 1.00 0.00 C ATOM 122 O VAL A 8 19.503 23.547 39.935 1.00 0.00 O ATOM 123 CB VAL A 8 17.283 22.499 41.303 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.257 23.566 42.394 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.176 21.473 41.532 1.00 0.00 C ATOM 0 H VAL A 8 16.817 21.167 39.293 1.00 0.00 H new ATOM 0 HA VAL A 8 16.284 23.816 39.938 1.00 0.00 H new ATOM 0 HB VAL A 8 18.243 21.985 41.346 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.361 23.091 43.370 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.080 24.264 42.240 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.311 24.106 42.352 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.294 21.025 42.519 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.205 21.965 41.470 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.238 20.695 40.771 1.00 0.00 H new ATOM 135 N GLU A 9 18.196 25.070 38.916 1.00 0.00 N ATOM 136 CA GLU A 9 19.308 25.933 38.530 1.00 0.00 C ATOM 137 C GLU A 9 19.915 26.595 39.761 1.00 0.00 C ATOM 138 O GLU A 9 19.297 26.633 40.825 1.00 0.00 O ATOM 139 CB GLU A 9 18.826 26.998 37.550 1.00 0.00 C ATOM 140 CG GLU A 9 18.660 26.423 36.145 1.00 0.00 C ATOM 141 CD GLU A 9 19.825 26.846 35.261 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.931 27.066 35.798 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.631 26.956 34.032 1.00 0.00 O ATOM 0 H GLU A 9 17.279 25.409 38.624 1.00 0.00 H new ATOM 0 HA GLU A 9 20.072 25.324 38.047 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.876 27.407 37.893 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.538 27.823 37.526 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.607 25.335 36.194 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.721 26.768 35.712 1.00 0.00 H new ATOM 150 N LYS A 10 21.128 27.116 39.610 1.00 0.00 N ATOM 151 CA LYS A 10 21.820 27.777 40.711 1.00 0.00 C ATOM 152 C LYS A 10 21.070 29.034 41.134 1.00 0.00 C ATOM 153 O LYS A 10 20.126 29.459 40.468 1.00 0.00 O ATOM 154 CB LYS A 10 23.243 28.135 40.291 1.00 0.00 C ATOM 155 CG LYS A 10 23.253 28.915 38.980 1.00 0.00 C ATOM 156 CD LYS A 10 23.924 30.275 39.152 1.00 0.00 C ATOM 157 CE LYS A 10 25.309 30.294 38.511 1.00 0.00 C ATOM 158 NZ LYS A 10 25.217 30.267 37.024 1.00 0.00 N ATOM 0 H LYS A 10 21.653 27.093 38.736 1.00 0.00 H new ATOM 0 HA LYS A 10 21.859 27.093 41.559 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.717 28.728 41.073 1.00 0.00 H new ATOM 0 HB3 LYS A 10 23.832 27.225 40.180 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.778 28.341 38.216 1.00 0.00 H new ATOM 0 HG3 LYS A 10 22.231 29.053 38.628 1.00 0.00 H new ATOM 0 HD2 LYS A 10 23.302 31.049 38.703 1.00 0.00 H new ATOM 0 HD3 LYS A 10 24.009 30.510 40.213 1.00 0.00 H new ATOM 0 HE2 LYS A 10 25.847 31.187 38.828 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.884 29.436 38.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.119 30.583 36.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.013 29.298 36.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 24.455 30.902 36.712 1.00 0.00 H new ATOM 172 N GLY A 11 21.496 29.624 42.246 1.00 0.00 N ATOM 173 CA GLY A 11 20.866 30.835 42.764 1.00 0.00 C ATOM 174 C GLY A 11 19.678 30.496 43.661 1.00 0.00 C ATOM 175 O GLY A 11 18.811 31.337 43.900 1.00 0.00 O ATOM 0 H GLY A 11 22.276 29.283 42.807 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.596 31.416 43.327 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.533 31.459 41.934 1.00 0.00 H new ATOM 179 N SER A 12 19.640 29.261 44.155 1.00 0.00 N ATOM 180 CA SER A 12 18.561 28.811 45.022 1.00 0.00 C ATOM 181 C SER A 12 19.073 28.626 46.447 1.00 0.00 C ATOM 182 O SER A 12 20.108 29.180 46.816 1.00 0.00 O ATOM 183 CB SER A 12 18.005 27.495 44.492 1.00 0.00 C ATOM 184 OG SER A 12 17.757 27.584 43.097 1.00 0.00 O ATOM 0 H SER A 12 20.349 28.553 43.967 1.00 0.00 H new ATOM 0 HA SER A 12 17.770 29.561 45.032 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.711 26.689 44.691 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.082 27.246 45.016 1.00 0.00 H new ATOM 0 HG SER A 12 18.489 27.155 42.607 1.00 0.00 H new ATOM 190 N ASN A 13 18.343 27.842 47.240 1.00 0.00 N ATOM 191 CA ASN A 13 18.716 27.565 48.629 1.00 0.00 C ATOM 192 C ASN A 13 18.621 28.822 49.485 1.00 0.00 C ATOM 193 O ASN A 13 17.839 28.877 50.434 1.00 0.00 O ATOM 194 CB ASN A 13 20.132 26.995 48.695 1.00 0.00 C ATOM 195 CG ASN A 13 20.102 25.485 48.503 1.00 0.00 C ATOM 196 OD1 ASN A 13 20.107 24.725 49.471 1.00 0.00 O ATOM 197 ND2 ASN A 13 20.070 25.050 47.249 1.00 0.00 N ATOM 0 H ASN A 13 17.482 27.383 46.942 1.00 0.00 H new ATOM 0 HA ASN A 13 18.016 26.829 49.023 1.00 0.00 H new ATOM 0 HB2 ASN A 13 20.753 27.454 47.926 1.00 0.00 H new ATOM 0 HB3 ASN A 13 20.585 27.237 49.656 1.00 0.00 H new ATOM 0 HD21 ASN A 13 20.048 24.048 47.057 1.00 0.00 H new ATOM 0 HD22 ASN A 13 20.067 25.717 46.478 1.00 0.00 H new ATOM 204 N GLU A 14 19.425 29.830 49.154 1.00 0.00 N ATOM 205 CA GLU A 14 19.439 31.089 49.901 1.00 0.00 C ATOM 206 C GLU A 14 18.020 31.551 50.222 1.00 0.00 C ATOM 207 O GLU A 14 17.597 31.529 51.378 1.00 0.00 O ATOM 208 CB GLU A 14 20.161 32.162 49.091 1.00 0.00 C ATOM 209 CG GLU A 14 21.184 32.904 49.946 1.00 0.00 C ATOM 210 CD GLU A 14 22.057 33.793 49.071 1.00 0.00 C ATOM 211 OE1 GLU A 14 22.068 33.589 47.838 1.00 0.00 O ATOM 212 OE2 GLU A 14 22.730 34.691 49.619 1.00 0.00 O ATOM 0 H GLU A 14 20.078 29.801 48.371 1.00 0.00 H new ATOM 0 HA GLU A 14 19.966 30.924 50.841 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.661 31.703 48.238 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.435 32.870 48.692 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.672 33.509 50.695 1.00 0.00 H new ATOM 0 HG3 GLU A 14 21.806 32.189 50.484 1.00 0.00 H new ATOM 219 N LYS A 15 17.290 31.967 49.193 1.00 0.00 N ATOM 220 CA LYS A 15 15.918 32.434 49.362 1.00 0.00 C ATOM 221 C LYS A 15 15.145 32.291 48.059 1.00 0.00 C ATOM 222 O LYS A 15 14.185 33.022 47.814 1.00 0.00 O ATOM 223 CB LYS A 15 15.917 33.895 49.800 1.00 0.00 C ATOM 224 CG LYS A 15 14.985 34.116 50.986 1.00 0.00 C ATOM 225 CD LYS A 15 15.530 33.451 52.245 1.00 0.00 C ATOM 226 CE LYS A 15 14.874 32.093 52.482 1.00 0.00 C ATOM 227 NZ LYS A 15 14.558 31.889 53.924 1.00 0.00 N ATOM 0 H LYS A 15 17.626 31.990 48.230 1.00 0.00 H new ATOM 0 HA LYS A 15 15.436 31.826 50.127 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.929 34.197 50.069 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.606 34.526 48.968 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.861 35.185 51.160 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.998 33.714 50.757 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.609 33.325 52.155 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.355 34.097 53.105 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.960 32.021 51.893 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.538 31.301 52.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.113 30.958 54.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.435 31.934 54.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.905 32.632 54.245 1.00 0.00 H new ATOM 241 N HIS A 16 15.571 31.353 47.219 1.00 0.00 N ATOM 242 CA HIS A 16 14.915 31.130 45.936 1.00 0.00 C ATOM 243 C HIS A 16 15.030 29.672 45.517 1.00 0.00 C ATOM 244 O HIS A 16 15.835 28.916 46.061 1.00 0.00 O ATOM 245 CB HIS A 16 15.550 32.016 44.868 1.00 0.00 C ATOM 246 CG HIS A 16 15.380 33.477 45.145 1.00 0.00 C ATOM 247 ND1 HIS A 16 16.025 34.132 46.163 1.00 0.00 N ATOM 248 CD2 HIS A 16 14.629 34.431 44.536 1.00 0.00 C ATOM 249 CE1 HIS A 16 15.696 35.403 46.188 1.00 0.00 C ATOM 250 NE2 HIS A 16 14.841 35.624 45.203 1.00 0.00 N ATOM 0 H HIS A 16 16.364 30.738 47.403 1.00 0.00 H new ATOM 0 HA HIS A 16 13.860 31.382 46.043 1.00 0.00 H new ATOM 0 HB2 HIS A 16 16.613 31.786 44.798 1.00 0.00 H new ATOM 0 HB3 HIS A 16 15.109 31.781 43.899 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.982 34.284 43.684 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.060 36.139 46.890 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.412 36.521 44.975 1.00 0.00 H new ATOM 258 N LEU A 17 14.226 29.290 44.532 1.00 0.00 N ATOM 259 CA LEU A 17 14.234 27.929 44.012 1.00 0.00 C ATOM 260 C LEU A 17 14.126 27.970 42.497 1.00 0.00 C ATOM 261 O LEU A 17 13.034 27.882 41.935 1.00 0.00 O ATOM 262 CB LEU A 17 13.077 27.129 44.611 1.00 0.00 C ATOM 263 CG LEU A 17 13.435 25.651 44.783 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.537 24.961 43.427 1.00 0.00 C ATOM 265 CD2 LEU A 17 14.738 25.492 45.562 1.00 0.00 C ATOM 0 H LEU A 17 13.556 29.909 44.075 1.00 0.00 H new ATOM 0 HA LEU A 17 15.167 27.439 44.290 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.805 27.552 45.578 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.202 27.218 43.967 1.00 0.00 H new ATOM 0 HG LEU A 17 12.637 25.176 45.354 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.792 23.911 43.571 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.581 25.034 42.909 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.311 25.444 42.830 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.970 24.433 45.671 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.546 25.987 45.024 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.629 25.943 46.549 1.00 0.00 H new ATOM 277 N ALA A 18 15.270 28.123 41.842 1.00 0.00 N ATOM 278 CA ALA A 18 15.322 28.199 40.385 1.00 0.00 C ATOM 279 C ALA A 18 15.199 26.815 39.762 1.00 0.00 C ATOM 280 O ALA A 18 15.562 25.812 40.375 1.00 0.00 O ATOM 281 CB ALA A 18 16.632 28.848 39.947 1.00 0.00 C ATOM 0 H ALA A 18 16.179 28.197 42.298 1.00 0.00 H new ATOM 0 HA ALA A 18 14.483 28.805 40.044 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.665 28.902 38.859 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.697 29.854 40.362 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.471 28.252 40.306 1.00 0.00 H new ATOM 287 N VAL A 19 14.694 26.775 38.533 1.00 0.00 N ATOM 288 CA VAL A 19 14.527 25.522 37.802 1.00 0.00 C ATOM 289 C VAL A 19 14.656 25.779 36.307 1.00 0.00 C ATOM 290 O VAL A 19 14.196 26.804 35.805 1.00 0.00 O ATOM 291 CB VAL A 19 13.163 24.905 38.106 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.011 24.640 39.601 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.041 25.810 37.607 1.00 0.00 C ATOM 0 H VAL A 19 14.391 27.602 38.019 1.00 0.00 H new ATOM 0 HA VAL A 19 15.303 24.825 38.118 1.00 0.00 H new ATOM 0 HB VAL A 19 13.096 23.952 37.581 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.033 24.201 39.795 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.790 23.951 39.929 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.102 25.578 40.148 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.077 25.353 37.833 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.108 26.779 38.102 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.135 25.945 36.530 1.00 0.00 H new ATOM 303 N LEU A 20 15.286 24.849 35.597 1.00 0.00 N ATOM 304 CA LEU A 20 15.473 24.988 34.157 1.00 0.00 C ATOM 305 C LEU A 20 14.343 24.303 33.401 1.00 0.00 C ATOM 306 O LEU A 20 14.335 23.081 33.249 1.00 0.00 O ATOM 307 CB LEU A 20 16.813 24.388 33.743 1.00 0.00 C ATOM 308 CG LEU A 20 17.481 25.231 32.660 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.794 24.591 32.217 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.544 25.414 31.470 1.00 0.00 C ATOM 0 H LEU A 20 15.675 23.993 35.994 1.00 0.00 H new ATOM 0 HA LEU A 20 15.464 26.049 33.909 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.468 24.320 34.611 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.663 23.372 33.377 1.00 0.00 H new ATOM 0 HG LEU A 20 17.702 26.214 33.076 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.256 25.206 31.445 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.467 24.514 33.071 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.597 23.595 31.819 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.037 26.017 30.708 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.291 24.439 31.053 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.634 25.916 31.798 1.00 0.00 H new ATOM 322 N VAL A 21 13.390 25.098 32.923 1.00 0.00 N ATOM 323 CA VAL A 21 12.253 24.570 32.175 1.00 0.00 C ATOM 324 C VAL A 21 12.327 25.020 30.721 1.00 0.00 C ATOM 325 O VAL A 21 11.957 26.147 30.393 1.00 0.00 O ATOM 326 CB VAL A 21 10.944 25.051 32.796 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.767 24.253 32.244 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.997 24.944 34.318 1.00 0.00 C ATOM 0 H VAL A 21 13.382 26.111 33.040 1.00 0.00 H new ATOM 0 HA VAL A 21 12.287 23.481 32.214 1.00 0.00 H new ATOM 0 HB VAL A 21 10.805 26.099 32.532 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.842 24.609 32.697 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.715 24.382 31.163 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.902 23.197 32.477 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.054 25.292 34.740 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.161 23.905 34.604 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.813 25.558 34.698 1.00 0.00 H new ATOM 338 N LYS A 22 12.807 24.136 29.853 1.00 0.00 N ATOM 339 CA LYS A 22 12.930 24.449 28.433 1.00 0.00 C ATOM 340 C LYS A 22 12.548 23.245 27.582 1.00 0.00 C ATOM 341 O LYS A 22 11.490 23.229 26.953 1.00 0.00 O ATOM 342 CB LYS A 22 14.361 24.870 28.115 1.00 0.00 C ATOM 343 CG LYS A 22 14.649 26.282 28.618 1.00 0.00 C ATOM 344 CD LYS A 22 15.986 26.792 28.089 1.00 0.00 C ATOM 345 CE LYS A 22 15.902 27.129 26.603 1.00 0.00 C ATOM 346 NZ LYS A 22 14.780 28.068 26.322 1.00 0.00 N ATOM 0 H LYS A 22 13.117 23.198 30.107 1.00 0.00 H new ATOM 0 HA LYS A 22 12.251 25.270 28.201 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.059 24.169 28.573 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.525 24.825 27.038 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.850 26.953 28.303 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.660 26.288 29.708 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.287 27.678 28.649 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.755 26.037 28.250 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.842 27.574 26.275 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.765 26.213 26.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.850 28.410 25.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.874 27.575 26.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.832 28.876 26.975 1.00 0.00 H new ATOM 360 N TYR A 23 13.423 22.241 27.563 1.00 0.00 N ATOM 361 CA TYR A 23 13.200 21.020 26.786 1.00 0.00 C ATOM 362 C TYR A 23 12.705 21.352 25.381 1.00 0.00 C ATOM 363 O TYR A 23 11.519 21.601 25.169 1.00 0.00 O ATOM 364 CB TYR A 23 12.203 20.104 27.497 1.00 0.00 C ATOM 365 CG TYR A 23 10.934 20.797 27.909 1.00 0.00 C ATOM 366 CD1 TYR A 23 10.863 21.440 29.131 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.834 20.781 27.072 1.00 0.00 C ATOM 368 CE1 TYR A 23 9.693 22.070 29.513 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.665 21.410 27.455 1.00 0.00 C ATOM 370 CZ TYR A 23 8.598 22.052 28.673 1.00 0.00 C ATOM 371 OH TYR A 23 7.434 22.677 29.054 1.00 0.00 O ATOM 0 H TYR A 23 14.301 22.249 28.082 1.00 0.00 H new ATOM 0 HA TYR A 23 14.152 20.497 26.699 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.955 19.271 26.839 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.679 19.680 28.381 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.721 21.450 29.787 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.888 20.277 26.119 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.636 22.575 30.466 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.805 21.399 26.801 1.00 0.00 H new ATOM 0 HH TYR A 23 6.894 22.062 29.593 1.00 0.00 H new ATOM 381 N GLU A 24 13.628 21.353 24.422 1.00 0.00 N ATOM 382 CA GLU A 24 13.298 21.654 23.030 1.00 0.00 C ATOM 383 C GLU A 24 12.060 20.882 22.587 1.00 0.00 C ATOM 384 O GLU A 24 12.068 19.652 22.541 1.00 0.00 O ATOM 385 CB GLU A 24 14.479 21.301 22.130 1.00 0.00 C ATOM 386 CG GLU A 24 14.624 22.302 20.988 1.00 0.00 C ATOM 387 CD GLU A 24 15.224 23.604 21.502 1.00 0.00 C ATOM 388 OE1 GLU A 24 16.420 23.607 21.860 1.00 0.00 O ATOM 389 OE2 GLU A 24 14.496 24.618 21.546 1.00 0.00 O ATOM 0 H GLU A 24 14.614 21.148 24.584 1.00 0.00 H new ATOM 0 HA GLU A 24 13.086 22.720 22.949 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.396 21.283 22.719 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.342 20.299 21.723 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.259 21.884 20.207 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.650 22.495 20.538 1.00 0.00 H new ATOM 396 N GLY A 25 10.999 21.613 22.263 1.00 0.00 N ATOM 397 CA GLY A 25 9.751 21.000 21.822 1.00 0.00 C ATOM 398 C GLY A 25 8.597 21.990 21.926 1.00 0.00 C ATOM 399 O GLY A 25 7.757 22.074 21.031 1.00 0.00 O ATOM 0 H GLY A 25 10.978 22.632 22.298 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.852 20.659 20.792 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.538 20.120 22.429 1.00 0.00 H new ATOM 403 N ASP A 26 8.563 22.737 23.024 1.00 0.00 N ATOM 404 CA ASP A 26 7.511 23.724 23.248 1.00 0.00 C ATOM 405 C ASP A 26 8.117 25.102 23.478 1.00 0.00 C ATOM 406 O ASP A 26 9.338 25.261 23.480 1.00 0.00 O ATOM 407 CB ASP A 26 6.667 23.320 24.454 1.00 0.00 C ATOM 408 CG ASP A 26 5.785 22.128 24.104 1.00 0.00 C ATOM 409 OD1 ASP A 26 6.295 20.987 24.113 1.00 0.00 O ATOM 410 OD2 ASP A 26 4.587 22.336 23.823 1.00 0.00 O ATOM 0 H ASP A 26 9.252 22.678 23.774 1.00 0.00 H new ATOM 0 HA ASP A 26 6.876 23.764 22.363 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.316 23.068 25.293 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.048 24.159 24.771 1.00 0.00 H new ATOM 415 N THR A 27 7.257 26.097 23.673 1.00 0.00 N ATOM 416 CA THR A 27 7.707 27.465 23.905 1.00 0.00 C ATOM 417 C THR A 27 7.575 27.822 25.381 1.00 0.00 C ATOM 418 O THR A 27 7.292 26.961 26.214 1.00 0.00 O ATOM 419 CB THR A 27 6.889 28.434 23.055 1.00 0.00 C ATOM 420 OG1 THR A 27 5.651 27.839 22.698 1.00 0.00 O ATOM 421 CG2 THR A 27 7.659 28.835 21.800 1.00 0.00 C ATOM 0 H THR A 27 6.244 25.981 23.675 1.00 0.00 H new ATOM 0 HA THR A 27 8.756 27.543 23.620 1.00 0.00 H new ATOM 0 HB THR A 27 6.698 29.332 23.642 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.277 28.303 21.920 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.057 29.526 21.209 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.593 29.320 22.085 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.878 27.946 21.208 1.00 0.00 H new ATOM 429 N MET A 28 7.788 29.095 25.701 1.00 0.00 N ATOM 430 CA MET A 28 7.698 29.566 27.080 1.00 0.00 C ATOM 431 C MET A 28 6.586 30.593 27.229 1.00 0.00 C ATOM 432 O MET A 28 6.622 31.656 26.611 1.00 0.00 O ATOM 433 CB MET A 28 9.021 30.192 27.496 1.00 0.00 C ATOM 434 CG MET A 28 10.164 29.184 27.411 1.00 0.00 C ATOM 435 SD MET A 28 11.779 29.976 27.444 1.00 0.00 S ATOM 436 CE MET A 28 12.543 29.127 28.834 1.00 0.00 C ATOM 0 H MET A 28 8.024 29.820 25.023 1.00 0.00 H new ATOM 0 HA MET A 28 7.475 28.713 27.720 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.239 31.046 26.855 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.942 30.570 28.515 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.089 28.483 28.242 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.066 28.603 26.494 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.624 29.107 28.698 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.303 29.653 29.758 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.165 28.106 28.889 1.00 0.00 H new ATOM 446 N ALA A 29 5.604 30.274 28.062 1.00 0.00 N ATOM 447 CA ALA A 29 4.483 31.174 28.302 1.00 0.00 C ATOM 448 C ALA A 29 4.511 31.673 29.740 1.00 0.00 C ATOM 449 O ALA A 29 4.644 32.870 29.995 1.00 0.00 O ATOM 450 CB ALA A 29 3.171 30.450 28.036 1.00 0.00 C ATOM 0 H ALA A 29 5.561 29.398 28.583 1.00 0.00 H new ATOM 0 HA ALA A 29 4.566 32.027 27.628 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.338 31.129 28.217 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.145 30.113 27.000 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.089 29.589 28.700 1.00 0.00 H new ATOM 456 N GLU A 30 4.383 30.738 30.674 1.00 0.00 N ATOM 457 CA GLU A 30 4.390 31.056 32.097 1.00 0.00 C ATOM 458 C GLU A 30 4.599 29.784 32.908 1.00 0.00 C ATOM 459 O GLU A 30 4.461 28.678 32.386 1.00 0.00 O ATOM 460 CB GLU A 30 3.071 31.716 32.491 1.00 0.00 C ATOM 461 CG GLU A 30 3.301 33.104 33.082 1.00 0.00 C ATOM 462 CD GLU A 30 2.272 34.087 32.537 1.00 0.00 C ATOM 463 OE1 GLU A 30 1.066 33.768 32.574 1.00 0.00 O ATOM 464 OE2 GLU A 30 2.675 35.175 32.075 1.00 0.00 O ATOM 0 H GLU A 30 4.272 29.745 30.469 1.00 0.00 H new ATOM 0 HA GLU A 30 5.206 31.749 32.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.425 31.793 31.617 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.551 31.091 33.217 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.232 33.060 34.169 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.307 33.448 32.840 1.00 0.00 H new ATOM 471 N VAL A 31 4.932 29.942 34.184 1.00 0.00 N ATOM 472 CA VAL A 31 5.160 28.797 35.058 1.00 0.00 C ATOM 473 C VAL A 31 4.757 29.134 36.486 1.00 0.00 C ATOM 474 O VAL A 31 4.538 30.299 36.819 1.00 0.00 O ATOM 475 CB VAL A 31 6.633 28.390 35.020 1.00 0.00 C ATOM 476 CG1 VAL A 31 6.822 27.003 35.629 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.168 28.422 33.591 1.00 0.00 C ATOM 0 H VAL A 31 5.050 30.849 34.635 1.00 0.00 H new ATOM 0 HA VAL A 31 4.551 27.965 34.705 1.00 0.00 H new ATOM 0 HB VAL A 31 7.199 29.109 35.613 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.877 26.730 35.593 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.485 27.012 36.665 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.240 26.275 35.064 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.218 28.129 33.589 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.597 27.729 32.973 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.072 29.431 33.189 1.00 0.00 H new ATOM 487 N GLU A 32 4.654 28.109 37.324 1.00 0.00 N ATOM 488 CA GLU A 32 4.274 28.293 38.709 1.00 0.00 C ATOM 489 C GLU A 32 4.362 26.973 39.464 1.00 0.00 C ATOM 490 O GLU A 32 4.190 25.902 38.882 1.00 0.00 O ATOM 491 CB GLU A 32 2.859 28.835 38.769 1.00 0.00 C ATOM 492 CG GLU A 32 1.867 27.865 38.136 1.00 0.00 C ATOM 493 CD GLU A 32 0.780 28.633 37.395 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.066 29.427 38.043 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.645 28.440 36.169 1.00 0.00 O ATOM 0 H GLU A 32 4.830 27.139 37.061 1.00 0.00 H new ATOM 0 HA GLU A 32 4.957 29.002 39.178 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.581 29.017 39.807 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.812 29.794 38.253 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.387 27.200 37.446 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.418 27.238 38.906 1.00 0.00 H new ATOM 502 N LEU A 33 4.631 27.056 40.763 1.00 0.00 N ATOM 503 CA LEU A 33 4.741 25.865 41.599 1.00 0.00 C ATOM 504 C LEU A 33 3.643 25.854 42.658 1.00 0.00 C ATOM 505 O LEU A 33 2.852 26.791 42.752 1.00 0.00 O ATOM 506 CB LEU A 33 6.125 25.809 42.255 1.00 0.00 C ATOM 507 CG LEU A 33 6.259 26.814 43.398 1.00 0.00 C ATOM 508 CD1 LEU A 33 5.749 26.202 44.698 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.709 27.264 43.550 1.00 0.00 C ATOM 0 H LEU A 33 4.777 27.935 41.260 1.00 0.00 H new ATOM 0 HA LEU A 33 4.618 24.982 40.971 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.306 24.803 42.634 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.890 26.009 41.505 1.00 0.00 H new ATOM 0 HG LEU A 33 5.654 27.690 43.164 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.849 26.927 45.506 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.700 25.928 44.584 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.332 25.312 44.935 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.784 27.979 44.369 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.338 26.400 43.764 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.043 27.735 42.625 1.00 0.00 H new ATOM 521 N ARG A 34 3.601 24.791 43.452 1.00 0.00 N ATOM 522 CA ARG A 34 2.599 24.664 44.506 1.00 0.00 C ATOM 523 C ARG A 34 3.274 24.543 45.864 1.00 0.00 C ATOM 524 O ARG A 34 2.805 25.111 46.850 1.00 0.00 O ATOM 525 CB ARG A 34 1.725 23.440 44.250 1.00 0.00 C ATOM 526 CG ARG A 34 0.483 23.455 45.137 1.00 0.00 C ATOM 527 CD ARG A 34 0.154 22.057 45.652 1.00 0.00 C ATOM 528 NE ARG A 34 -0.552 21.294 44.628 1.00 0.00 N ATOM 529 CZ ARG A 34 -1.458 20.375 44.943 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.670 20.744 45.337 1.00 0.00 N ATOM 531 NH2 ARG A 34 -1.154 19.086 44.865 1.00 0.00 N ATOM 0 H ARG A 34 4.248 24.005 43.387 1.00 0.00 H new ATOM 0 HA ARG A 34 1.973 25.557 44.503 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.427 23.415 43.202 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.300 22.533 44.439 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.643 24.127 45.980 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.364 23.846 44.574 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.072 21.540 45.933 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.459 22.128 46.550 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.345 21.471 43.645 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.907 21.734 45.398 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.365 20.037 45.579 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.223 18.799 44.563 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.851 18.382 45.107 1.00 0.00 H new ATOM 545 N GLU A 35 4.368 23.777 45.906 1.00 0.00 N ATOM 546 CA GLU A 35 5.130 23.536 47.135 1.00 0.00 C ATOM 547 C GLU A 35 4.531 22.347 47.858 1.00 0.00 C ATOM 548 O GLU A 35 4.531 22.276 49.087 1.00 0.00 O ATOM 549 CB GLU A 35 5.145 24.766 48.045 1.00 0.00 C ATOM 550 CG GLU A 35 6.544 25.026 48.595 1.00 0.00 C ATOM 551 CD GLU A 35 6.621 26.418 49.208 1.00 0.00 C ATOM 552 OE1 GLU A 35 5.805 26.719 50.105 1.00 0.00 O ATOM 553 OE2 GLU A 35 7.498 27.204 48.792 1.00 0.00 O ATOM 0 H GLU A 35 4.751 23.305 45.087 1.00 0.00 H new ATOM 0 HA GLU A 35 6.166 23.326 46.868 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.802 25.638 47.488 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.448 24.620 48.870 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.792 24.276 49.346 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.279 24.932 47.796 1.00 0.00 H new ATOM 560 N HIS A 36 4.020 21.412 47.067 1.00 0.00 N ATOM 561 CA HIS A 36 3.405 20.204 47.583 1.00 0.00 C ATOM 562 C HIS A 36 2.162 20.541 48.397 1.00 0.00 C ATOM 563 O HIS A 36 1.036 20.328 47.946 1.00 0.00 O ATOM 564 CB HIS A 36 4.402 19.432 48.441 1.00 0.00 C ATOM 565 CG HIS A 36 3.818 18.183 49.024 1.00 0.00 C ATOM 566 ND1 HIS A 36 2.953 18.182 50.088 1.00 0.00 N ATOM 567 CD2 HIS A 36 3.968 16.874 48.694 1.00 0.00 C ATOM 568 CE1 HIS A 36 2.591 16.959 50.399 1.00 0.00 C ATOM 569 NE2 HIS A 36 3.195 16.128 49.564 1.00 0.00 N ATOM 0 H HIS A 36 4.022 21.474 46.049 1.00 0.00 H new ATOM 0 HA HIS A 36 3.107 19.581 46.740 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.271 19.174 47.837 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.754 20.074 49.248 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.582 16.485 47.895 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.918 16.680 51.196 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.105 15.112 49.563 1.00 0.00 H new ATOM 577 N GLY A 37 2.371 21.068 49.599 1.00 0.00 N ATOM 578 CA GLY A 37 1.266 21.435 50.478 1.00 0.00 C ATOM 579 C GLY A 37 1.518 22.790 51.125 1.00 0.00 C ATOM 580 O GLY A 37 2.312 22.905 52.059 1.00 0.00 O ATOM 0 H GLY A 37 3.296 21.251 49.987 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.337 21.466 49.909 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.142 20.676 51.250 1.00 0.00 H new ATOM 584 N SER A 38 0.837 23.815 50.624 1.00 0.00 N ATOM 585 CA SER A 38 0.984 25.167 51.154 1.00 0.00 C ATOM 586 C SER A 38 -0.371 25.860 51.214 1.00 0.00 C ATOM 587 O SER A 38 -0.780 26.356 52.264 1.00 0.00 O ATOM 588 CB SER A 38 1.940 25.970 50.276 1.00 0.00 C ATOM 589 OG SER A 38 2.649 26.922 51.054 1.00 0.00 O ATOM 0 H SER A 38 0.177 23.736 49.851 1.00 0.00 H new ATOM 0 HA SER A 38 1.392 25.106 52.163 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.643 25.298 49.784 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.381 26.478 49.490 1.00 0.00 H new ATOM 0 HG SER A 38 3.601 26.890 50.822 1.00 0.00 H new ATOM 595 N ASP A 39 -1.065 25.890 50.081 1.00 0.00 N ATOM 596 CA ASP A 39 -2.377 26.523 50.001 1.00 0.00 C ATOM 597 C ASP A 39 -2.934 26.409 48.588 1.00 0.00 C ATOM 598 O ASP A 39 -4.102 26.069 48.396 1.00 0.00 O ATOM 599 CB ASP A 39 -2.267 27.990 50.399 1.00 0.00 C ATOM 600 CG ASP A 39 -1.178 28.675 49.584 1.00 0.00 C ATOM 601 OD1 ASP A 39 -1.472 29.124 48.455 1.00 0.00 O ATOM 602 OD2 ASP A 39 -0.033 28.762 50.075 1.00 0.00 O ATOM 0 H ASP A 39 -0.740 25.483 49.204 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.055 26.015 50.686 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.222 28.491 50.238 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.041 28.070 51.462 1.00 0.00 H new ATOM 607 N GLU A 40 -2.092 26.697 47.602 1.00 0.00 N ATOM 608 CA GLU A 40 -2.496 26.629 46.203 1.00 0.00 C ATOM 609 C GLU A 40 -1.321 26.977 45.299 1.00 0.00 C ATOM 610 O GLU A 40 -0.270 27.409 45.771 1.00 0.00 O ATOM 611 CB GLU A 40 -3.653 27.591 45.950 1.00 0.00 C ATOM 612 CG GLU A 40 -3.236 29.038 46.197 1.00 0.00 C ATOM 613 CD GLU A 40 -3.982 29.971 45.251 1.00 0.00 C ATOM 614 OE1 GLU A 40 -4.200 29.585 44.084 1.00 0.00 O ATOM 615 OE2 GLU A 40 -4.348 31.085 45.680 1.00 0.00 O ATOM 0 H GLU A 40 -1.123 26.981 47.746 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.822 25.613 45.978 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.002 27.481 44.923 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.490 27.336 46.600 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.446 29.313 47.231 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.161 29.144 46.051 1.00 0.00 H new ATOM 622 N TRP A 41 -1.503 26.785 43.998 1.00 0.00 N ATOM 623 CA TRP A 41 -0.454 27.080 43.029 1.00 0.00 C ATOM 624 C TRP A 41 0.016 28.520 43.180 1.00 0.00 C ATOM 625 O TRP A 41 -0.784 29.454 43.128 1.00 0.00 O ATOM 626 CB TRP A 41 -0.969 26.846 41.612 1.00 0.00 C ATOM 627 CG TRP A 41 -1.356 25.420 41.367 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.622 24.903 41.365 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.467 24.318 41.088 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.550 23.563 41.102 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.258 23.173 40.929 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.918 24.190 40.957 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.710 21.932 40.649 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.474 22.950 40.677 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.667 21.830 40.525 1.00 0.00 C ATOM 0 H TRP A 41 -2.366 26.427 43.590 1.00 0.00 H new ATOM 0 HA TRP A 41 0.389 26.415 43.215 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.831 27.488 41.432 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.200 27.138 40.897 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.529 25.461 41.542 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.356 22.940 41.043 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.555 25.055 41.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.341 21.064 40.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.545 22.855 40.576 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.116 20.872 40.308 1.00 0.00 H new ATOM 646 N VAL A 42 1.320 28.694 43.366 1.00 0.00 N ATOM 647 CA VAL A 42 1.901 30.021 43.522 1.00 0.00 C ATOM 648 C VAL A 42 2.669 30.407 42.267 1.00 0.00 C ATOM 649 O VAL A 42 3.654 29.761 41.908 1.00 0.00 O ATOM 650 CB VAL A 42 2.832 30.045 44.731 1.00 0.00 C ATOM 651 CG1 VAL A 42 2.027 30.085 46.026 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.760 28.834 44.716 1.00 0.00 C ATOM 0 H VAL A 42 1.995 27.931 43.412 1.00 0.00 H new ATOM 0 HA VAL A 42 1.097 30.741 43.679 1.00 0.00 H new ATOM 0 HB VAL A 42 3.442 30.947 44.677 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.708 30.102 46.877 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.406 30.980 46.041 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.392 29.201 46.087 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.417 28.868 45.585 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.166 27.920 44.745 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.361 28.847 43.807 1.00 0.00 H new ATOM 662 N ALA A 43 2.214 31.463 41.601 1.00 0.00 N ATOM 663 CA ALA A 43 2.858 31.938 40.379 1.00 0.00 C ATOM 664 C ALA A 43 4.363 32.064 40.583 1.00 0.00 C ATOM 665 O ALA A 43 4.820 32.726 41.515 1.00 0.00 O ATOM 666 CB ALA A 43 2.273 33.288 39.975 1.00 0.00 C ATOM 0 H ALA A 43 1.400 32.008 41.887 1.00 0.00 H new ATOM 0 HA ALA A 43 2.674 31.215 39.584 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.758 33.636 39.063 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.202 33.183 39.799 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.440 34.011 40.774 1.00 0.00 H new ATOM 672 N MET A 44 5.129 31.423 39.707 1.00 0.00 N ATOM 673 CA MET A 44 6.584 31.460 39.789 1.00 0.00 C ATOM 674 C MET A 44 7.076 32.901 39.780 1.00 0.00 C ATOM 675 O MET A 44 6.285 33.837 39.897 1.00 0.00 O ATOM 676 CB MET A 44 7.187 30.696 38.615 1.00 0.00 C ATOM 677 CG MET A 44 7.717 29.333 39.050 1.00 0.00 C ATOM 678 SD MET A 44 9.495 29.348 39.330 1.00 0.00 S ATOM 679 CE MET A 44 9.696 27.871 40.338 1.00 0.00 C ATOM 0 H MET A 44 4.765 30.871 38.931 1.00 0.00 H new ATOM 0 HA MET A 44 6.897 30.990 40.721 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.433 30.564 37.839 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.996 31.280 38.177 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.210 29.024 39.964 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.478 28.592 38.287 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.235 28.124 41.251 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.716 27.469 40.595 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.260 27.123 39.780 1.00 0.00 H new ATOM 689 N THR A 45 8.385 33.074 39.640 1.00 0.00 N ATOM 690 CA THR A 45 8.981 34.405 39.617 1.00 0.00 C ATOM 691 C THR A 45 10.106 34.466 38.592 1.00 0.00 C ATOM 692 O THR A 45 11.244 34.099 38.884 1.00 0.00 O ATOM 693 CB THR A 45 9.519 34.759 40.999 1.00 0.00 C ATOM 694 OG1 THR A 45 8.499 34.598 41.973 1.00 0.00 O ATOM 695 CG2 THR A 45 10.044 36.190 41.023 1.00 0.00 C ATOM 0 H THR A 45 9.054 32.310 39.541 1.00 0.00 H new ATOM 0 HA THR A 45 8.213 35.126 39.337 1.00 0.00 H new ATOM 0 HB THR A 45 10.344 34.086 41.231 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.853 34.826 42.858 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.423 36.422 42.018 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.848 36.295 40.295 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.236 36.878 40.773 1.00 0.00 H new ATOM 703 N LYS A 46 9.783 34.936 37.392 1.00 0.00 N ATOM 704 CA LYS A 46 10.770 35.049 36.324 1.00 0.00 C ATOM 705 C LYS A 46 11.703 36.221 36.592 1.00 0.00 C ATOM 706 O LYS A 46 11.517 37.312 36.055 1.00 0.00 O ATOM 707 CB LYS A 46 10.069 35.238 34.982 1.00 0.00 C ATOM 708 CG LYS A 46 9.145 36.451 35.007 1.00 0.00 C ATOM 709 CD LYS A 46 9.521 37.458 33.923 1.00 0.00 C ATOM 710 CE LYS A 46 8.500 37.456 32.790 1.00 0.00 C ATOM 711 NZ LYS A 46 8.918 38.363 31.683 1.00 0.00 N ATOM 0 H LYS A 46 8.846 35.245 37.134 1.00 0.00 H new ATOM 0 HA LYS A 46 11.358 34.132 36.292 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.813 35.361 34.195 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.493 34.344 34.741 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.114 36.128 34.864 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.197 36.930 35.985 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.585 38.456 34.357 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.508 37.219 33.527 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.380 36.442 32.407 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.528 37.769 33.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.204 38.340 30.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.008 39.334 32.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.834 38.048 31.303 1.00 0.00 H new ATOM 725 N GLY A 47 12.704 35.988 37.433 1.00 0.00 N ATOM 726 CA GLY A 47 13.668 37.027 37.781 1.00 0.00 C ATOM 727 C GLY A 47 15.078 36.650 37.336 1.00 0.00 C ATOM 728 O GLY A 47 15.956 37.509 37.244 1.00 0.00 O ATOM 0 H GLY A 47 12.870 35.090 37.887 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.376 37.967 37.313 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.656 37.190 38.859 1.00 0.00 H new ATOM 732 N GLU A 48 15.296 35.367 37.064 1.00 0.00 N ATOM 733 CA GLU A 48 16.603 34.886 36.635 1.00 0.00 C ATOM 734 C GLU A 48 16.922 35.380 35.230 1.00 0.00 C ATOM 735 O GLU A 48 18.081 35.626 34.897 1.00 0.00 O ATOM 736 CB GLU A 48 16.621 33.363 36.664 1.00 0.00 C ATOM 737 CG GLU A 48 17.471 32.844 37.820 1.00 0.00 C ATOM 738 CD GLU A 48 18.877 32.519 37.335 1.00 0.00 C ATOM 739 OE1 GLU A 48 19.216 32.896 36.194 1.00 0.00 O ATOM 740 OE2 GLU A 48 19.639 31.887 38.097 1.00 0.00 O ATOM 0 H GLU A 48 14.582 34.641 37.134 1.00 0.00 H new ATOM 0 HA GLU A 48 17.360 35.273 37.317 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.603 32.986 36.760 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.014 32.983 35.721 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.516 33.591 38.612 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.011 31.953 38.248 1.00 0.00 H new ATOM 747 N GLY A 49 15.888 35.521 34.408 1.00 0.00 N ATOM 748 CA GLY A 49 16.059 35.983 33.035 1.00 0.00 C ATOM 749 C GLY A 49 16.100 34.801 32.075 1.00 0.00 C ATOM 750 O GLY A 49 15.607 34.885 30.950 1.00 0.00 O ATOM 0 H GLY A 49 14.922 35.322 34.668 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.240 36.650 32.765 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.980 36.559 32.951 1.00 0.00 H new ATOM 754 N GLY A 50 16.690 33.699 32.528 1.00 0.00 N ATOM 755 CA GLY A 50 16.797 32.493 31.713 1.00 0.00 C ATOM 756 C GLY A 50 15.968 31.367 32.317 1.00 0.00 C ATOM 757 O GLY A 50 15.401 30.545 31.597 1.00 0.00 O ATOM 0 H GLY A 50 17.102 33.616 33.457 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.455 32.701 30.699 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.841 32.186 31.641 1.00 0.00 H new ATOM 761 N VAL A 51 15.900 31.337 33.644 1.00 0.00 N ATOM 762 CA VAL A 51 15.137 30.315 34.353 1.00 0.00 C ATOM 763 C VAL A 51 14.111 30.968 35.268 1.00 0.00 C ATOM 764 O VAL A 51 14.097 32.187 35.430 1.00 0.00 O ATOM 765 CB VAL A 51 16.075 29.434 35.173 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.982 28.617 34.257 1.00 0.00 C ATOM 767 CG2 VAL A 51 16.905 30.283 36.130 1.00 0.00 C ATOM 0 H VAL A 51 16.366 32.011 34.252 1.00 0.00 H new ATOM 0 HA VAL A 51 14.618 29.696 33.621 1.00 0.00 H new ATOM 0 HB VAL A 51 15.471 28.743 35.761 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.643 27.995 34.860 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.373 27.981 33.614 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.579 29.290 33.641 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.568 29.638 36.707 1.00 0.00 H new ATOM 0 HG22 VAL A 51 17.499 30.998 35.560 1.00 0.00 H new ATOM 0 HG23 VAL A 51 16.242 30.821 36.808 1.00 0.00 H new ATOM 777 N TRP A 52 13.248 30.151 35.861 1.00 0.00 N ATOM 778 CA TRP A 52 12.213 30.654 36.756 1.00 0.00 C ATOM 779 C TRP A 52 12.572 30.360 38.206 1.00 0.00 C ATOM 780 O TRP A 52 12.973 29.246 38.543 1.00 0.00 O ATOM 781 CB TRP A 52 10.879 30.008 36.411 1.00 0.00 C ATOM 782 CG TRP A 52 10.653 29.905 34.934 1.00 0.00 C ATOM 783 CD1 TRP A 52 10.251 28.798 34.244 1.00 0.00 C ATOM 784 CD2 TRP A 52 10.825 30.953 33.957 1.00 0.00 C ATOM 785 NE1 TRP A 52 10.155 29.116 32.917 1.00 0.00 N ATOM 786 CE2 TRP A 52 10.497 30.415 32.707 1.00 0.00 C ATOM 787 CE3 TRP A 52 11.220 32.291 34.020 1.00 0.00 C ATOM 788 CZ2 TRP A 52 10.550 31.166 31.545 1.00 0.00 C ATOM 789 CZ3 TRP A 52 11.277 33.049 32.858 1.00 0.00 C ATOM 790 CH2 TRP A 52 10.944 32.489 31.632 1.00 0.00 C ATOM 0 H TRP A 52 13.245 29.138 35.738 1.00 0.00 H new ATOM 0 HA TRP A 52 12.135 31.734 36.631 1.00 0.00 H new ATOM 0 HB2 TRP A 52 10.837 29.012 36.851 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.072 30.588 36.859 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.043 27.830 34.675 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.866 28.467 32.185 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.480 32.735 34.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.290 30.729 30.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.583 34.083 32.908 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.993 33.092 30.738 1.00 0.00 H new ATOM 801 N THR A 53 12.422 31.366 39.060 1.00 0.00 N ATOM 802 CA THR A 53 12.727 31.220 40.479 1.00 0.00 C ATOM 803 C THR A 53 11.484 31.487 41.317 1.00 0.00 C ATOM 804 O THR A 53 10.410 31.762 40.782 1.00 0.00 O ATOM 805 CB THR A 53 13.836 32.190 40.875 1.00 0.00 C ATOM 806 OG1 THR A 53 13.964 33.208 39.895 1.00 0.00 O ATOM 807 CG2 THR A 53 15.163 31.456 41.045 1.00 0.00 C ATOM 0 H THR A 53 12.090 32.293 38.794 1.00 0.00 H new ATOM 0 HA THR A 53 13.062 30.199 40.662 1.00 0.00 H new ATOM 0 HB THR A 53 13.571 32.644 41.830 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.677 33.827 40.158 1.00 0.00 H new ATOM 0 HG21 THR A 53 15.939 32.168 41.327 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.063 30.700 41.824 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.436 30.975 40.105 1.00 0.00 H new ATOM 815 N PHE A 54 11.636 31.405 42.635 1.00 0.00 N ATOM 816 CA PHE A 54 10.525 31.639 43.550 1.00 0.00 C ATOM 817 C PHE A 54 11.009 31.592 44.994 1.00 0.00 C ATOM 818 O PHE A 54 11.706 30.661 45.395 1.00 0.00 O ATOM 819 CB PHE A 54 9.440 30.589 43.332 1.00 0.00 C ATOM 820 CG PHE A 54 8.238 30.795 44.218 1.00 0.00 C ATOM 821 CD1 PHE A 54 7.192 31.597 43.792 1.00 0.00 C ATOM 822 CD2 PHE A 54 8.180 30.185 45.461 1.00 0.00 C ATOM 823 CE1 PHE A 54 6.089 31.788 44.607 1.00 0.00 C ATOM 824 CE2 PHE A 54 7.077 30.376 46.275 1.00 0.00 C ATOM 825 CZ PHE A 54 6.031 31.177 45.849 1.00 0.00 C ATOM 0 H PHE A 54 12.519 31.178 43.093 1.00 0.00 H new ATOM 0 HA PHE A 54 10.111 32.627 43.351 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.124 30.611 42.289 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.857 29.599 43.518 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.237 32.073 42.824 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.996 29.561 45.795 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.274 32.413 44.274 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.032 29.900 47.243 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.170 31.325 46.485 1.00 0.00 H new ATOM 835 N ASP A 55 10.634 32.603 45.770 1.00 0.00 N ATOM 836 CA ASP A 55 11.029 32.681 47.173 1.00 0.00 C ATOM 837 C ASP A 55 10.332 31.594 47.981 1.00 0.00 C ATOM 838 O ASP A 55 9.105 31.572 48.083 1.00 0.00 O ATOM 839 CB ASP A 55 10.676 34.055 47.736 1.00 0.00 C ATOM 840 CG ASP A 55 11.713 35.085 47.305 1.00 0.00 C ATOM 841 OD1 ASP A 55 12.588 34.742 46.482 1.00 0.00 O ATOM 842 OD2 ASP A 55 11.648 36.234 47.790 1.00 0.00 O ATOM 0 H ASP A 55 10.056 33.381 45.451 1.00 0.00 H new ATOM 0 HA ASP A 55 12.106 32.531 47.242 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.688 34.356 47.387 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.630 34.009 48.824 1.00 0.00 H new ATOM 847 N SER A 56 11.121 30.691 48.555 1.00 0.00 N ATOM 848 CA SER A 56 10.579 29.598 49.356 1.00 0.00 C ATOM 849 C SER A 56 11.100 29.679 50.785 1.00 0.00 C ATOM 850 O SER A 56 12.307 29.622 51.020 1.00 0.00 O ATOM 851 CB SER A 56 10.962 28.257 48.737 1.00 0.00 C ATOM 852 OG SER A 56 12.255 27.861 49.166 1.00 0.00 O ATOM 0 H SER A 56 12.138 30.694 48.480 1.00 0.00 H new ATOM 0 HA SER A 56 9.493 29.684 49.374 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.231 27.499 49.018 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.941 28.333 47.650 1.00 0.00 H new ATOM 0 HG SER A 56 12.678 28.598 49.654 1.00 0.00 H new ATOM 858 N GLU A 57 10.182 29.812 51.738 1.00 0.00 N ATOM 859 CA GLU A 57 10.546 29.903 53.148 1.00 0.00 C ATOM 860 C GLU A 57 10.332 28.564 53.841 1.00 0.00 C ATOM 861 O GLU A 57 10.983 28.262 54.841 1.00 0.00 O ATOM 862 CB GLU A 57 9.709 30.980 53.833 1.00 0.00 C ATOM 863 CG GLU A 57 10.537 31.761 54.849 1.00 0.00 C ATOM 864 CD GLU A 57 10.469 31.087 56.213 1.00 0.00 C ATOM 865 OE1 GLU A 57 9.367 30.654 56.608 1.00 0.00 O ATOM 866 OE2 GLU A 57 11.519 30.992 56.883 1.00 0.00 O ATOM 0 H GLU A 57 9.179 29.859 51.559 1.00 0.00 H new ATOM 0 HA GLU A 57 11.601 30.168 53.218 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.308 31.664 53.084 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.857 30.519 54.332 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.573 31.820 54.516 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.167 32.784 54.922 1.00 0.00 H new ATOM 873 N GLU A 58 9.414 27.764 53.308 1.00 0.00 N ATOM 874 CA GLU A 58 9.114 26.457 53.880 1.00 0.00 C ATOM 875 C GLU A 58 9.485 25.347 52.900 1.00 0.00 C ATOM 876 O GLU A 58 8.860 25.207 51.849 1.00 0.00 O ATOM 877 CB GLU A 58 7.629 26.368 54.219 1.00 0.00 C ATOM 878 CG GLU A 58 6.768 26.475 52.964 1.00 0.00 C ATOM 879 CD GLU A 58 5.568 27.375 53.225 1.00 0.00 C ATOM 880 OE1 GLU A 58 4.697 26.987 54.031 1.00 0.00 O ATOM 881 OE2 GLU A 58 5.502 28.468 52.623 1.00 0.00 O ATOM 0 H GLU A 58 8.865 27.998 52.481 1.00 0.00 H new ATOM 0 HA GLU A 58 9.701 26.333 54.790 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.425 25.424 54.724 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.364 27.165 54.914 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.360 26.875 52.141 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.430 25.484 52.661 1.00 0.00 H new ATOM 888 N PRO A 59 10.506 24.534 53.231 1.00 0.00 N ATOM 889 CA PRO A 59 10.946 23.427 52.368 1.00 0.00 C ATOM 890 C PRO A 59 9.931 22.289 52.341 1.00 0.00 C ATOM 891 O PRO A 59 9.914 21.481 51.413 1.00 0.00 O ATOM 892 CB PRO A 59 12.256 22.972 52.994 1.00 0.00 C ATOM 893 CG PRO A 59 12.169 23.378 54.424 1.00 0.00 C ATOM 894 CD PRO A 59 11.308 24.614 54.465 1.00 0.00 C ATOM 0 HA PRO A 59 11.056 23.737 51.329 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.384 21.894 52.898 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.110 23.439 52.503 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.734 22.582 55.028 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.160 23.581 54.831 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.675 24.629 55.352 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.913 25.521 54.489 1.00 0.00 H new ATOM 902 N LEU A 60 9.079 22.238 53.365 1.00 0.00 N ATOM 903 CA LEU A 60 8.048 21.211 53.469 1.00 0.00 C ATOM 904 C LEU A 60 8.618 19.831 53.134 1.00 0.00 C ATOM 905 O LEU A 60 9.817 19.596 53.286 1.00 0.00 O ATOM 906 CB LEU A 60 6.900 21.564 52.534 1.00 0.00 C ATOM 907 CG LEU A 60 5.554 21.149 53.124 1.00 0.00 C ATOM 908 CD1 LEU A 60 4.946 22.294 53.929 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.599 20.706 52.019 1.00 0.00 C ATOM 0 H LEU A 60 9.085 22.903 54.139 1.00 0.00 H new ATOM 0 HA LEU A 60 7.680 21.172 54.494 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.900 22.637 52.344 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.046 21.070 51.573 1.00 0.00 H new ATOM 0 HG LEU A 60 5.718 20.306 53.795 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.987 21.980 54.342 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.620 22.565 54.742 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.796 23.156 53.279 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.645 20.414 52.458 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.441 21.530 51.323 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.028 19.858 51.486 1.00 0.00 H new ATOM 921 N GLN A 61 7.755 18.919 52.685 1.00 0.00 N ATOM 922 CA GLN A 61 8.175 17.562 52.338 1.00 0.00 C ATOM 923 C GLN A 61 9.456 17.575 51.510 1.00 0.00 C ATOM 924 O GLN A 61 10.269 16.656 51.602 1.00 0.00 O ATOM 925 CB GLN A 61 7.064 16.860 51.564 1.00 0.00 C ATOM 926 CG GLN A 61 6.306 15.879 52.454 1.00 0.00 C ATOM 927 CD GLN A 61 4.806 16.114 52.341 1.00 0.00 C ATOM 928 OE1 GLN A 61 4.333 17.244 52.468 1.00 0.00 O ATOM 929 NE2 GLN A 61 4.055 15.046 52.101 1.00 0.00 N ATOM 0 H GLN A 61 6.759 19.096 52.553 1.00 0.00 H new ATOM 0 HA GLN A 61 8.375 17.020 53.263 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.372 17.601 51.163 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.490 16.329 50.713 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.544 14.856 52.164 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.623 15.998 53.490 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.490 14.128 52.003 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.043 15.143 52.015 1.00 0.00 H new ATOM 938 N GLY A 62 9.637 18.617 50.702 1.00 0.00 N ATOM 939 CA GLY A 62 10.830 18.727 49.869 1.00 0.00 C ATOM 940 C GLY A 62 10.492 18.892 48.385 1.00 0.00 C ATOM 941 O GLY A 62 11.130 19.685 47.692 1.00 0.00 O ATOM 0 H GLY A 62 8.979 19.390 50.607 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.424 19.579 50.200 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.446 17.838 50.002 1.00 0.00 H new ATOM 945 N PRO A 63 9.500 18.142 47.859 1.00 0.00 N ATOM 946 CA PRO A 63 9.126 18.227 46.438 1.00 0.00 C ATOM 947 C PRO A 63 8.346 19.494 46.107 1.00 0.00 C ATOM 948 O PRO A 63 7.665 20.062 46.961 1.00 0.00 O ATOM 949 CB PRO A 63 8.275 16.986 46.204 1.00 0.00 C ATOM 950 CG PRO A 63 7.720 16.623 47.541 1.00 0.00 C ATOM 951 CD PRO A 63 8.678 17.152 48.582 1.00 0.00 C ATOM 0 HA PRO A 63 10.006 18.272 45.797 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.477 17.187 45.490 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.873 16.172 45.794 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.728 17.055 47.676 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.612 15.542 47.632 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.145 17.611 49.415 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.293 16.354 48.998 1.00 0.00 H new ATOM 959 N PHE A 64 8.452 19.928 44.853 1.00 0.00 N ATOM 960 CA PHE A 64 7.761 21.125 44.386 1.00 0.00 C ATOM 961 C PHE A 64 6.942 20.811 43.141 1.00 0.00 C ATOM 962 O PHE A 64 7.485 20.724 42.040 1.00 0.00 O ATOM 963 CB PHE A 64 8.771 22.222 44.056 1.00 0.00 C ATOM 964 CG PHE A 64 9.587 22.669 45.242 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.993 23.400 46.258 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.936 22.359 45.310 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.746 23.818 47.342 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.689 22.778 46.393 1.00 0.00 C ATOM 969 CZ PHE A 64 11.095 23.508 47.410 1.00 0.00 C ATOM 0 H PHE A 64 9.014 19.464 44.139 1.00 0.00 H new ATOM 0 HA PHE A 64 7.097 21.468 45.179 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.444 21.862 43.278 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.240 23.081 43.646 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.942 23.644 46.204 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.400 21.790 44.518 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.282 24.386 48.135 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.740 22.536 46.445 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.683 23.835 48.255 1.00 0.00 H new ATOM 979 N ASN A 65 5.636 20.649 43.314 1.00 0.00 N ATOM 980 CA ASN A 65 4.753 20.355 42.190 1.00 0.00 C ATOM 981 C ASN A 65 4.724 21.541 41.236 1.00 0.00 C ATOM 982 O ASN A 65 4.721 22.694 41.668 1.00 0.00 O ATOM 983 CB ASN A 65 3.345 20.053 42.693 1.00 0.00 C ATOM 984 CG ASN A 65 3.394 19.012 43.804 1.00 0.00 C ATOM 985 OD1 ASN A 65 4.356 18.251 43.912 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.356 18.979 44.631 1.00 0.00 N ATOM 0 H ASN A 65 5.166 20.716 44.217 1.00 0.00 H new ATOM 0 HA ASN A 65 5.130 19.480 41.661 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.879 20.967 43.062 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.728 19.690 41.871 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.334 18.303 45.395 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.581 19.630 44.503 1.00 0.00 H new ATOM 993 N PHE A 66 4.716 21.259 39.937 1.00 0.00 N ATOM 994 CA PHE A 66 4.703 22.316 38.932 1.00 0.00 C ATOM 995 C PHE A 66 3.593 22.095 37.913 1.00 0.00 C ATOM 996 O PHE A 66 2.880 21.092 37.953 1.00 0.00 O ATOM 997 CB PHE A 66 6.051 22.367 38.219 1.00 0.00 C ATOM 998 CG PHE A 66 7.058 23.235 38.929 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.028 24.610 38.763 1.00 0.00 C ATOM 1000 CD2 PHE A 66 8.015 22.658 39.748 1.00 0.00 C ATOM 1001 CE1 PHE A 66 7.953 25.407 39.415 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.941 23.455 40.400 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.910 24.830 40.234 1.00 0.00 C ATOM 0 H PHE A 66 4.718 20.312 39.557 1.00 0.00 H new ATOM 0 HA PHE A 66 4.518 23.263 39.439 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.448 21.356 38.131 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.906 22.742 37.206 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.282 25.060 38.124 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.039 21.586 39.878 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.929 26.479 39.285 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.687 23.005 41.038 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.632 25.452 40.743 1.00 0.00 H new ATOM 1013 N ARG A 67 3.460 23.049 36.998 1.00 0.00 N ATOM 1014 CA ARG A 67 2.449 22.993 35.948 1.00 0.00 C ATOM 1015 C ARG A 67 2.511 24.267 35.116 1.00 0.00 C ATOM 1016 O ARG A 67 1.838 25.252 35.418 1.00 0.00 O ATOM 1017 CB ARG A 67 1.061 22.837 36.561 1.00 0.00 C ATOM 1018 CG ARG A 67 0.833 23.851 37.677 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.111 24.963 37.228 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.424 24.791 37.840 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.528 25.262 37.269 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.579 26.522 36.860 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.581 24.473 37.107 1.00 0.00 N ATOM 0 H ARG A 67 4.049 23.881 36.963 1.00 0.00 H new ATOM 0 HA ARG A 67 2.645 22.133 35.308 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.303 22.966 35.788 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.946 21.827 36.955 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.417 23.348 38.550 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.787 24.281 37.982 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.302 25.933 37.504 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.204 24.954 36.142 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.497 24.296 38.729 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.770 27.131 36.983 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.427 26.882 36.422 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.545 23.503 37.421 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.428 24.836 36.669 1.00 0.00 H new ATOM 1037 N PHE A 68 3.336 24.246 34.075 1.00 0.00 N ATOM 1038 CA PHE A 68 3.502 25.407 33.209 1.00 0.00 C ATOM 1039 C PHE A 68 2.271 25.617 32.343 1.00 0.00 C ATOM 1040 O PHE A 68 1.332 24.822 32.367 1.00 0.00 O ATOM 1041 CB PHE A 68 4.730 25.235 32.320 1.00 0.00 C ATOM 1042 CG PHE A 68 4.829 23.860 31.708 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.835 23.405 30.857 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.917 23.050 31.994 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.927 22.144 30.294 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.010 21.789 31.430 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.015 21.335 30.580 1.00 0.00 C ATOM 0 H PHE A 68 3.900 23.438 33.811 1.00 0.00 H new ATOM 0 HA PHE A 68 3.637 26.283 33.844 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.702 25.979 31.524 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.627 25.430 32.908 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.987 24.035 30.633 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.693 23.403 32.657 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.151 21.790 29.632 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.859 21.159 31.653 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.087 20.351 30.140 1.00 0.00 H new ATOM 1057 N LEU A 69 2.294 26.696 31.574 1.00 0.00 N ATOM 1058 CA LEU A 69 1.193 27.037 30.680 1.00 0.00 C ATOM 1059 C LEU A 69 1.750 27.325 29.295 1.00 0.00 C ATOM 1060 O LEU A 69 1.615 28.437 28.791 1.00 0.00 O ATOM 1061 CB LEU A 69 0.435 28.265 31.198 1.00 0.00 C ATOM 1062 CG LEU A 69 0.474 28.371 32.725 1.00 0.00 C ATOM 1063 CD1 LEU A 69 0.001 29.750 33.177 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -0.380 27.277 33.361 1.00 0.00 C ATOM 0 H LEU A 69 3.070 27.357 31.551 1.00 0.00 H new ATOM 0 HA LEU A 69 0.498 26.198 30.636 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.867 29.166 30.762 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.602 28.216 30.866 1.00 0.00 H new ATOM 0 HG LEU A 69 1.505 28.235 33.053 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.035 29.808 34.265 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.651 30.515 32.752 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.022 29.913 32.837 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.340 27.369 34.446 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.412 27.380 33.026 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.001 26.300 33.065 1.00 0.00 H new ATOM 1076 N THR A 70 2.394 26.308 28.705 1.00 0.00 N ATOM 1077 CA THR A 70 3.026 26.396 27.374 1.00 0.00 C ATOM 1078 C THR A 70 2.424 27.492 26.499 1.00 0.00 C ATOM 1079 O THR A 70 1.208 27.679 26.457 1.00 0.00 O ATOM 1080 CB THR A 70 2.909 25.057 26.658 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.774 24.352 27.134 1.00 0.00 O ATOM 1082 CG2 THR A 70 4.168 24.219 26.861 1.00 0.00 C ATOM 0 H THR A 70 2.494 25.391 29.140 1.00 0.00 H new ATOM 0 HA THR A 70 4.072 26.653 27.539 1.00 0.00 H new ATOM 0 HB THR A 70 2.793 25.247 25.591 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.997 23.902 27.976 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.060 23.268 26.340 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.030 24.755 26.463 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.315 24.035 27.925 1.00 0.00 H new ATOM 1090 N GLU A 71 3.299 28.215 25.812 1.00 0.00 N ATOM 1091 CA GLU A 71 2.898 29.306 24.937 1.00 0.00 C ATOM 1092 C GLU A 71 1.767 28.879 24.012 1.00 0.00 C ATOM 1093 O GLU A 71 0.791 29.608 23.832 1.00 0.00 O ATOM 1094 CB GLU A 71 4.100 29.759 24.132 1.00 0.00 C ATOM 1095 CG GLU A 71 4.534 31.172 24.513 1.00 0.00 C ATOM 1096 CD GLU A 71 4.302 32.128 23.350 1.00 0.00 C ATOM 1097 OE1 GLU A 71 3.279 31.976 22.650 1.00 0.00 O ATOM 1098 OE2 GLU A 71 5.144 33.027 23.141 1.00 0.00 O ATOM 0 H GLU A 71 4.307 28.061 25.847 1.00 0.00 H new ATOM 0 HA GLU A 71 2.530 30.133 25.544 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.927 29.068 24.293 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.860 29.726 23.069 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.975 31.508 25.386 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.588 31.174 24.789 1.00 0.00 H new ATOM 1105 N LYS A 72 1.901 27.694 23.427 1.00 0.00 N ATOM 1106 CA LYS A 72 0.885 27.172 22.519 1.00 0.00 C ATOM 1107 C LYS A 72 0.780 25.659 22.658 1.00 0.00 C ATOM 1108 O LYS A 72 0.599 24.947 21.671 1.00 0.00 O ATOM 1109 CB LYS A 72 1.234 27.539 21.080 1.00 0.00 C ATOM 1110 CG LYS A 72 0.044 28.175 20.366 1.00 0.00 C ATOM 1111 CD LYS A 72 -1.190 27.280 20.443 1.00 0.00 C ATOM 1112 CE LYS A 72 -2.171 27.594 19.318 1.00 0.00 C ATOM 1113 NZ LYS A 72 -3.580 27.568 19.804 1.00 0.00 N ATOM 0 H LYS A 72 2.702 27.077 23.565 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.077 27.616 22.777 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.077 28.230 21.073 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.549 26.646 20.541 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.177 29.143 20.815 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.299 28.358 19.322 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.888 26.234 20.384 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.682 27.416 21.406 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.946 28.575 18.900 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.048 26.869 18.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.223 27.785 19.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.800 26.624 20.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.701 28.277 20.555 1.00 0.00 H new ATOM 1127 N GLY A 73 0.897 25.173 23.889 1.00 0.00 N ATOM 1128 CA GLY A 73 0.816 23.741 24.157 1.00 0.00 C ATOM 1129 C GLY A 73 -0.413 23.414 24.996 1.00 0.00 C ATOM 1130 O GLY A 73 -1.545 23.503 24.519 1.00 0.00 O ATOM 0 H GLY A 73 1.048 25.749 24.717 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.775 23.192 23.216 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.715 23.413 24.679 1.00 0.00 H new ATOM 1134 N MET A 74 -0.181 23.037 26.249 1.00 0.00 N ATOM 1135 CA MET A 74 -1.264 22.696 27.165 1.00 0.00 C ATOM 1136 C MET A 74 -0.823 22.919 28.607 1.00 0.00 C ATOM 1137 O MET A 74 0.305 23.340 28.862 1.00 0.00 O ATOM 1138 CB MET A 74 -1.677 21.241 26.966 1.00 0.00 C ATOM 1139 CG MET A 74 -2.379 21.047 25.625 1.00 0.00 C ATOM 1140 SD MET A 74 -3.854 22.067 25.468 1.00 0.00 S ATOM 1141 CE MET A 74 -4.097 22.037 23.686 1.00 0.00 C ATOM 0 H MET A 74 0.752 22.960 26.655 1.00 0.00 H new ATOM 0 HA MET A 74 -2.118 23.340 26.954 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.797 20.600 27.015 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.340 20.934 27.775 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.687 21.287 24.818 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.652 19.998 25.509 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.999 23.047 23.288 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.348 21.392 23.227 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.092 21.654 23.461 1.00 0.00 H new ATOM 1151 N LYS A 75 -1.719 22.638 29.548 1.00 0.00 N ATOM 1152 CA LYS A 75 -1.421 22.811 30.966 1.00 0.00 C ATOM 1153 C LYS A 75 -1.447 21.469 31.682 1.00 0.00 C ATOM 1154 O LYS A 75 -2.512 20.946 32.010 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.437 23.757 31.599 1.00 0.00 C ATOM 1156 CG LYS A 75 -2.167 25.203 31.198 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.521 25.446 29.734 1.00 0.00 C ATOM 1158 CE LYS A 75 -3.536 26.576 29.590 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.484 27.180 28.228 1.00 0.00 N ATOM 0 H LYS A 75 -2.658 22.289 29.354 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.423 23.239 31.063 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.443 23.473 31.291 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.398 23.664 32.684 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.748 25.873 31.831 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.116 25.439 31.365 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.618 25.692 29.175 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.926 24.532 29.299 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.539 26.194 29.783 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.338 27.343 30.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.185 27.945 28.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.534 27.565 28.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.697 26.452 27.517 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.264 20.917 31.924 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.138 19.633 32.605 1.00 0.00 C ATOM 1175 C ASN A 76 0.580 19.811 33.937 1.00 0.00 C ATOM 1176 O ASN A 76 1.379 20.732 34.103 1.00 0.00 O ATOM 1177 CB ASN A 76 0.633 18.653 31.727 1.00 0.00 C ATOM 1178 CG ASN A 76 0.553 17.247 32.305 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.255 16.975 33.192 1.00 0.00 O ATOM 1180 ND2 ASN A 76 1.395 16.352 31.802 1.00 0.00 N ATOM 0 H ASN A 76 0.625 21.340 31.658 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.135 19.236 32.794 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.225 18.661 30.716 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.675 18.964 31.652 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.389 15.394 32.151 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.048 16.623 31.067 1.00 0.00 H new ATOM 1187 N VAL A 77 0.293 18.923 34.883 1.00 0.00 N ATOM 1188 CA VAL A 77 0.916 18.982 36.201 1.00 0.00 C ATOM 1189 C VAL A 77 2.053 17.974 36.294 1.00 0.00 C ATOM 1190 O VAL A 77 2.124 17.029 35.508 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.120 18.697 37.286 1.00 0.00 C ATOM 1192 CG1 VAL A 77 0.527 18.737 38.668 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.270 19.698 37.205 1.00 0.00 C ATOM 0 H VAL A 77 -0.366 18.154 34.762 1.00 0.00 H new ATOM 0 HA VAL A 77 1.320 19.984 36.349 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.522 17.697 37.123 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.226 18.532 39.429 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.313 17.984 38.724 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.957 19.724 38.840 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.998 19.479 37.986 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.884 20.708 37.342 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.750 19.622 36.229 1.00 0.00 H new ATOM 1203 N PHE A 78 2.943 18.182 37.258 1.00 0.00 N ATOM 1204 CA PHE A 78 4.082 17.292 37.455 1.00 0.00 C ATOM 1205 C PHE A 78 4.345 17.092 38.942 1.00 0.00 C ATOM 1206 O PHE A 78 4.799 18.005 39.631 1.00 0.00 O ATOM 1207 CB PHE A 78 5.318 17.874 36.776 1.00 0.00 C ATOM 1208 CG PHE A 78 5.092 18.165 35.313 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.993 17.123 34.407 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.977 19.475 34.876 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.780 17.388 33.065 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.765 19.741 33.533 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.666 18.698 32.628 1.00 0.00 C ATOM 0 H PHE A 78 2.898 18.960 37.916 1.00 0.00 H new ATOM 0 HA PHE A 78 3.855 16.324 37.009 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.609 18.793 37.285 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.148 17.175 36.880 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.082 16.102 34.748 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.053 20.289 35.582 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.703 16.574 32.359 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.677 20.762 33.192 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.500 18.905 31.581 1.00 0.00 H new ATOM 1223 N ASP A 79 4.055 15.891 39.431 1.00 0.00 N ATOM 1224 CA ASP A 79 4.256 15.566 40.839 1.00 0.00 C ATOM 1225 C ASP A 79 5.600 14.878 41.041 1.00 0.00 C ATOM 1226 O ASP A 79 6.178 14.334 40.101 1.00 0.00 O ATOM 1227 CB ASP A 79 3.131 14.659 41.330 1.00 0.00 C ATOM 1228 CG ASP A 79 2.780 14.992 42.774 1.00 0.00 C ATOM 1229 OD1 ASP A 79 3.641 15.556 43.481 1.00 0.00 O ATOM 1230 OD2 ASP A 79 1.645 14.687 43.197 1.00 0.00 O ATOM 0 H ASP A 79 3.679 15.125 38.872 1.00 0.00 H new ATOM 0 HA ASP A 79 4.248 16.492 41.414 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.252 14.782 40.697 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.436 13.615 41.253 1.00 0.00 H new ATOM 1235 N ASP A 80 6.091 14.906 42.276 1.00 0.00 N ATOM 1236 CA ASP A 80 7.368 14.284 42.610 1.00 0.00 C ATOM 1237 C ASP A 80 8.474 14.816 41.708 1.00 0.00 C ATOM 1238 O ASP A 80 9.415 14.097 41.374 1.00 0.00 O ATOM 1239 CB ASP A 80 7.263 12.769 42.464 1.00 0.00 C ATOM 1240 CG ASP A 80 6.959 12.129 43.812 1.00 0.00 C ATOM 1241 OD1 ASP A 80 7.711 12.386 44.776 1.00 0.00 O ATOM 1242 OD2 ASP A 80 5.970 11.372 43.902 1.00 0.00 O ATOM 0 H ASP A 80 5.623 15.354 43.064 1.00 0.00 H new ATOM 0 HA ASP A 80 7.614 14.529 43.643 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.479 12.519 41.750 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.196 12.369 42.066 1.00 0.00 H new ATOM 1247 N VAL A 81 8.356 16.080 41.318 1.00 0.00 N ATOM 1248 CA VAL A 81 9.349 16.712 40.454 1.00 0.00 C ATOM 1249 C VAL A 81 10.681 16.838 41.184 1.00 0.00 C ATOM 1250 O VAL A 81 11.714 16.379 40.696 1.00 0.00 O ATOM 1251 CB VAL A 81 8.854 18.091 40.023 1.00 0.00 C ATOM 1252 CG1 VAL A 81 9.878 18.779 39.124 1.00 0.00 C ATOM 1253 CG2 VAL A 81 7.512 17.974 39.307 1.00 0.00 C ATOM 0 H VAL A 81 7.583 16.689 41.586 1.00 0.00 H new ATOM 0 HA VAL A 81 9.495 16.092 39.570 1.00 0.00 H new ATOM 0 HB VAL A 81 8.721 18.700 40.917 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.503 19.759 38.830 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.817 18.897 39.665 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.046 18.173 38.234 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.173 18.965 39.006 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.624 17.345 38.424 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.779 17.528 39.979 1.00 0.00 H new ATOM 1263 N VAL A 82 10.647 17.464 42.355 1.00 0.00 N ATOM 1264 CA VAL A 82 11.846 17.656 43.163 1.00 0.00 C ATOM 1265 C VAL A 82 11.885 16.630 44.292 1.00 0.00 C ATOM 1266 O VAL A 82 10.852 16.295 44.869 1.00 0.00 O ATOM 1267 CB VAL A 82 11.854 19.077 43.732 1.00 0.00 C ATOM 1268 CG1 VAL A 82 13.015 19.280 44.700 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.925 20.100 42.602 1.00 0.00 C ATOM 0 H VAL A 82 9.797 17.849 42.768 1.00 0.00 H new ATOM 0 HA VAL A 82 12.730 17.517 42.540 1.00 0.00 H new ATOM 0 HB VAL A 82 10.926 19.221 44.284 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.993 20.299 45.086 1.00 0.00 H new ATOM 0 HG12 VAL A 82 12.926 18.576 45.527 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.957 19.110 44.179 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.930 21.106 43.022 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.837 19.943 42.026 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.059 19.983 41.950 1.00 0.00 H new ATOM 1279 N PRO A 83 13.082 16.118 44.623 1.00 0.00 N ATOM 1280 CA PRO A 83 13.251 15.121 45.697 1.00 0.00 C ATOM 1281 C PRO A 83 12.972 15.705 47.077 1.00 0.00 C ATOM 1282 O PRO A 83 12.688 16.894 47.215 1.00 0.00 O ATOM 1283 CB PRO A 83 14.710 14.697 45.577 1.00 0.00 C ATOM 1284 CG PRO A 83 15.390 15.846 44.913 1.00 0.00 C ATOM 1285 CD PRO A 83 14.369 16.461 43.991 1.00 0.00 C ATOM 0 HA PRO A 83 12.551 14.292 45.592 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.144 14.493 46.556 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.809 13.785 44.988 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.737 16.571 45.649 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.266 15.512 44.357 1.00 0.00 H new ATOM 0 HD2 PRO A 83 14.501 17.540 43.909 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.442 16.054 42.983 1.00 0.00 H new ATOM 1293 N GLU A 84 13.059 14.857 48.098 1.00 0.00 N ATOM 1294 CA GLU A 84 12.819 15.282 49.474 1.00 0.00 C ATOM 1295 C GLU A 84 13.794 16.386 49.862 1.00 0.00 C ATOM 1296 O GLU A 84 13.455 17.288 50.627 1.00 0.00 O ATOM 1297 CB GLU A 84 12.977 14.095 50.419 1.00 0.00 C ATOM 1298 CG GLU A 84 12.408 14.407 51.800 1.00 0.00 C ATOM 1299 CD GLU A 84 10.935 14.025 51.862 1.00 0.00 C ATOM 1300 OE1 GLU A 84 10.266 14.063 50.808 1.00 0.00 O ATOM 1301 OE2 GLU A 84 10.452 13.689 52.964 1.00 0.00 O ATOM 0 H GLU A 84 13.294 13.870 47.998 1.00 0.00 H new ATOM 0 HA GLU A 84 11.802 15.668 49.550 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.469 13.225 50.002 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.032 13.836 50.508 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.965 13.862 52.562 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.525 15.469 52.018 1.00 0.00 H new ATOM 1308 N LYS A 85 15.007 16.307 49.326 1.00 0.00 N ATOM 1309 CA LYS A 85 16.040 17.298 49.609 1.00 0.00 C ATOM 1310 C LYS A 85 16.725 17.726 48.318 1.00 0.00 C ATOM 1311 O LYS A 85 17.764 17.183 47.945 1.00 0.00 O ATOM 1312 CB LYS A 85 17.067 16.717 50.577 1.00 0.00 C ATOM 1313 CG LYS A 85 17.871 17.820 51.259 1.00 0.00 C ATOM 1314 CD LYS A 85 17.823 17.679 52.778 1.00 0.00 C ATOM 1315 CE LYS A 85 16.741 18.570 53.382 1.00 0.00 C ATOM 1316 NZ LYS A 85 17.274 19.922 53.711 1.00 0.00 N ATOM 0 H LYS A 85 15.300 15.565 48.691 1.00 0.00 H new ATOM 0 HA LYS A 85 15.575 18.171 50.066 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.560 16.115 51.331 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.742 16.052 50.039 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.906 17.782 50.920 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.476 18.794 50.969 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.631 16.639 53.043 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.792 17.942 53.201 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.912 18.664 52.681 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.345 18.104 54.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.515 20.504 54.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.049 19.832 54.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.630 20.375 52.845 1.00 0.00 H new ATOM 1330 N TYR A 86 16.132 18.700 47.636 1.00 0.00 N ATOM 1331 CA TYR A 86 16.679 19.202 46.380 1.00 0.00 C ATOM 1332 C TYR A 86 18.156 19.545 46.535 1.00 0.00 C ATOM 1333 O TYR A 86 18.589 20.009 47.590 1.00 0.00 O ATOM 1334 CB TYR A 86 15.899 20.436 45.930 1.00 0.00 C ATOM 1335 CG TYR A 86 16.160 21.649 46.787 1.00 0.00 C ATOM 1336 CD1 TYR A 86 15.554 21.766 48.026 1.00 0.00 C ATOM 1337 CD2 TYR A 86 17.004 22.649 46.335 1.00 0.00 C ATOM 1338 CE1 TYR A 86 15.791 22.881 48.811 1.00 0.00 C ATOM 1339 CE2 TYR A 86 17.240 23.763 47.121 1.00 0.00 C ATOM 1340 CZ TYR A 86 16.633 23.874 48.355 1.00 0.00 C ATOM 1341 OH TYR A 86 16.868 24.983 49.135 1.00 0.00 O ATOM 0 H TYR A 86 15.271 19.159 47.932 1.00 0.00 H new ATOM 0 HA TYR A 86 16.584 18.422 45.624 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.160 20.666 44.897 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.833 20.210 45.947 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.896 20.987 48.380 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.478 22.560 45.369 1.00 0.00 H new ATOM 0 HE1 TYR A 86 15.318 22.973 49.778 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.898 24.544 46.769 1.00 0.00 H new ATOM 0 HH TYR A 86 16.797 24.738 50.081 1.00 0.00 H new ATOM 1351 N THR A 87 18.924 19.316 45.476 1.00 0.00 N ATOM 1352 CA THR A 87 20.355 19.603 45.489 1.00 0.00 C ATOM 1353 C THR A 87 20.768 20.290 44.194 1.00 0.00 C ATOM 1354 O THR A 87 20.752 19.682 43.123 1.00 0.00 O ATOM 1355 CB THR A 87 21.145 18.310 45.670 1.00 0.00 C ATOM 1356 OG1 THR A 87 20.522 17.494 46.649 1.00 0.00 O ATOM 1357 CG2 THR A 87 22.585 18.610 46.078 1.00 0.00 C ATOM 0 H THR A 87 18.580 18.932 44.596 1.00 0.00 H new ATOM 0 HA THR A 87 20.571 20.271 46.323 1.00 0.00 H new ATOM 0 HB THR A 87 21.160 17.778 44.719 1.00 0.00 H new ATOM 0 HG1 THR A 87 21.034 16.666 46.758 1.00 0.00 H new ATOM 0 HG21 THR A 87 23.131 17.674 46.202 1.00 0.00 H new ATOM 0 HG22 THR A 87 23.065 19.210 45.305 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.589 19.160 47.019 1.00 0.00 H new ATOM 1365 N ILE A 88 21.136 21.562 44.299 1.00 0.00 N ATOM 1366 CA ILE A 88 21.553 22.342 43.138 1.00 0.00 C ATOM 1367 C ILE A 88 22.614 21.589 42.342 1.00 0.00 C ATOM 1368 O ILE A 88 23.748 21.431 42.793 1.00 0.00 O ATOM 1369 CB ILE A 88 22.098 23.694 43.593 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.018 24.478 44.336 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.617 24.500 42.405 1.00 0.00 C ATOM 1372 CD1 ILE A 88 19.870 24.852 43.404 1.00 0.00 C ATOM 0 H ILE A 88 21.154 22.077 45.179 1.00 0.00 H new ATOM 0 HA ILE A 88 20.689 22.503 42.494 1.00 0.00 H new ATOM 0 HB ILE A 88 22.932 23.514 44.272 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.637 23.882 45.165 1.00 0.00 H new ATOM 0 HG13 ILE A 88 21.451 25.382 44.765 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.000 25.459 42.755 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.417 23.948 41.912 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.805 24.670 41.698 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.116 25.409 43.960 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.249 25.469 42.589 1.00 0.00 H new ATOM 0 HD13 ILE A 88 19.423 23.946 42.995 1.00 0.00 H new ATOM 1384 N GLY A 89 22.237 21.127 41.153 1.00 0.00 N ATOM 1385 CA GLY A 89 23.154 20.391 40.289 1.00 0.00 C ATOM 1386 C GLY A 89 22.591 19.018 39.947 1.00 0.00 C ATOM 1387 O GLY A 89 23.292 18.010 40.036 1.00 0.00 O ATOM 0 H GLY A 89 21.301 21.250 40.766 1.00 0.00 H new ATOM 0 HA2 GLY A 89 23.330 20.955 39.373 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.118 20.280 40.785 1.00 0.00 H new ATOM 1391 N ALA A 90 21.321 18.983 39.553 1.00 0.00 N ATOM 1392 CA ALA A 90 20.663 17.730 39.195 1.00 0.00 C ATOM 1393 C ALA A 90 19.433 18.001 38.337 1.00 0.00 C ATOM 1394 O ALA A 90 18.890 19.105 38.346 1.00 0.00 O ATOM 1395 CB ALA A 90 20.261 16.974 40.458 1.00 0.00 C ATOM 0 H ALA A 90 20.727 19.808 39.474 1.00 0.00 H new ATOM 0 HA ALA A 90 21.361 17.121 38.621 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.771 16.040 40.183 1.00 0.00 H new ATOM 0 HB2 ALA A 90 21.150 16.756 41.050 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.575 17.585 41.045 1.00 0.00 H new ATOM 1401 N THR A 91 18.998 16.986 37.596 1.00 0.00 N ATOM 1402 CA THR A 91 17.829 17.114 36.731 1.00 0.00 C ATOM 1403 C THR A 91 16.740 16.138 37.158 1.00 0.00 C ATOM 1404 O THR A 91 16.708 14.993 36.708 1.00 0.00 O ATOM 1405 CB THR A 91 18.221 16.850 35.280 1.00 0.00 C ATOM 1406 OG1 THR A 91 19.242 17.752 34.882 1.00 0.00 O ATOM 1407 CG2 THR A 91 17.012 16.989 34.359 1.00 0.00 C ATOM 0 H THR A 91 19.437 16.066 37.577 1.00 0.00 H new ATOM 0 HA THR A 91 17.443 18.129 36.819 1.00 0.00 H new ATOM 0 HB THR A 91 18.595 15.829 35.204 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.853 18.637 34.722 1.00 0.00 H new ATOM 0 HG21 THR A 91 17.315 16.797 33.330 1.00 0.00 H new ATOM 0 HG22 THR A 91 16.247 16.271 34.652 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.610 17.999 34.436 1.00 0.00 H new ATOM 1415 N TYR A 92 15.847 16.599 38.027 1.00 0.00 N ATOM 1416 CA TYR A 92 14.751 15.769 38.515 1.00 0.00 C ATOM 1417 C TYR A 92 13.568 15.843 37.555 1.00 0.00 C ATOM 1418 O TYR A 92 13.738 16.149 36.375 1.00 0.00 O ATOM 1419 CB TYR A 92 14.338 16.228 39.911 1.00 0.00 C ATOM 1420 CG TYR A 92 15.518 16.411 40.831 1.00 0.00 C ATOM 1421 CD1 TYR A 92 16.197 15.304 41.312 1.00 0.00 C ATOM 1422 CD2 TYR A 92 15.928 17.682 41.192 1.00 0.00 C ATOM 1423 CE1 TYR A 92 17.283 15.469 42.154 1.00 0.00 C ATOM 1424 CE2 TYR A 92 17.016 17.846 42.034 1.00 0.00 C ATOM 1425 CZ TYR A 92 17.688 16.739 42.511 1.00 0.00 C ATOM 1426 OH TYR A 92 18.768 16.901 43.347 1.00 0.00 O ATOM 0 H TYR A 92 15.861 17.545 38.409 1.00 0.00 H new ATOM 0 HA TYR A 92 15.084 14.733 38.571 1.00 0.00 H new ATOM 0 HB2 TYR A 92 13.792 17.168 39.834 1.00 0.00 H new ATOM 0 HB3 TYR A 92 13.655 15.497 40.343 1.00 0.00 H new ATOM 0 HD1 TYR A 92 15.879 14.311 41.030 1.00 0.00 H new ATOM 0 HD2 TYR A 92 15.400 18.546 40.817 1.00 0.00 H new ATOM 0 HE1 TYR A 92 17.812 14.606 42.531 1.00 0.00 H new ATOM 0 HE2 TYR A 92 17.337 18.838 42.316 1.00 0.00 H new ATOM 0 HH TYR A 92 19.394 16.158 43.220 1.00 0.00 H new ATOM 1436 N ALA A 93 12.367 15.557 38.059 1.00 0.00 N ATOM 1437 CA ALA A 93 11.157 15.589 37.238 1.00 0.00 C ATOM 1438 C ALA A 93 11.089 14.354 36.348 1.00 0.00 C ATOM 1439 O ALA A 93 12.030 13.561 36.300 1.00 0.00 O ATOM 1440 CB ALA A 93 11.125 16.850 36.383 1.00 0.00 C ATOM 0 H ALA A 93 12.207 15.300 39.033 1.00 0.00 H new ATOM 0 HA ALA A 93 10.292 15.595 37.901 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.218 16.857 35.779 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.138 17.728 37.029 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.997 16.868 35.729 1.00 0.00 H new ATOM 1446 N PRO A 94 9.968 14.172 35.629 1.00 0.00 N ATOM 1447 CA PRO A 94 9.779 13.020 34.735 1.00 0.00 C ATOM 1448 C PRO A 94 10.612 13.138 33.464 1.00 0.00 C ATOM 1449 O PRO A 94 10.035 13.453 32.402 1.00 0.00 O ATOM 1450 CB PRO A 94 8.291 13.044 34.413 1.00 0.00 C ATOM 1451 CG PRO A 94 7.867 14.463 34.605 1.00 0.00 C ATOM 1452 CD PRO A 94 8.797 15.068 35.628 1.00 0.00 C ATOM 0 HA PRO A 94 10.100 12.088 35.200 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.105 12.713 33.391 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.736 12.375 35.071 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.919 15.012 33.665 1.00 0.00 H new ATOM 0 HG3 PRO A 94 6.833 14.514 34.946 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.076 16.087 35.359 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.330 15.114 36.612 1.00 0.00 H new