USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 679 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 89 THR OG1 : rot -170:sc= -1.56! USER MOD Set 1.2: A 124 ASN : amide:sc= -0.157 K(o=-2.1,f=-7!) USER MOD Set 1.3: A 126 ASN : amide:sc= -0.377 X(o=-2.1,f=-2.1) USER MOD Set 2.1: A 119 SER OG : rot -42:sc= 0.205 USER MOD Set 2.2: A 132 SER OG : rot 19:sc= 0.223 USER MOD Set 3.1: A 12 ASN : amide:sc= 0.0363 X(o=0.071,f=0.012) USER MOD Set 3.2: A 14 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0716) USER MOD Single : A 9 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.11) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= -0.0924 (180deg=-0.45) USER MOD Single : A 85 SER OG : rot 9:sc= 0.127 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -159:sc= -0.21 (180deg=-0.823) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 37:sc= 0.159 USER MOD Single : A 112 ASN : amide:sc= -0.06 K(o=-0.06,f=-1.3!) USER MOD Single : A 116 TYR OH : rot -7:sc= 0.967 USER MOD Single : A 123 SER OG : rot 180:sc= -0.168 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 92.089 35.053 -41.825 1.00 40.04 N ATOM 35 CA ALA A 3 92.179 33.607 -41.801 1.00 43.24 C ATOM 36 C ALA A 3 92.907 33.157 -40.545 1.00 0.24 C ATOM 37 O ALA A 3 94.131 33.278 -40.444 1.00 35.24 O ATOM 38 CB ALA A 3 92.875 33.077 -43.051 1.00 12.11 C ATOM 0 HA ALA A 3 91.169 33.197 -41.790 1.00 43.24 H new ATOM 0 HB1 ALA A 3 92.928 31.989 -43.005 1.00 12.11 H new ATOM 0 HB2 ALA A 3 92.312 33.376 -43.935 1.00 12.11 H new ATOM 0 HB3 ALA A 3 93.883 33.487 -43.108 1.00 12.11 H new ATOM 44 N ARG A 4 92.140 32.682 -39.580 1.00 63.22 N ATOM 45 CA ARG A 4 92.692 32.144 -38.350 1.00 11.43 C ATOM 46 C ARG A 4 92.051 30.787 -38.098 1.00 35.12 C ATOM 47 O ARG A 4 90.839 30.701 -37.868 1.00 51.01 O ATOM 48 CB ARG A 4 92.416 33.090 -37.174 1.00 44.02 C ATOM 49 CG ARG A 4 93.257 32.816 -35.935 1.00 45.22 C ATOM 50 CD ARG A 4 92.850 33.714 -34.771 1.00 74.23 C ATOM 51 NE ARG A 4 92.909 35.142 -35.109 1.00 11.35 N ATOM 52 CZ ARG A 4 92.739 36.148 -34.238 1.00 2.00 C ATOM 53 NH1 ARG A 4 92.564 35.905 -32.944 1.00 4.31 N ATOM 54 NH2 ARG A 4 92.767 37.400 -34.672 1.00 63.53 N ATOM 0 H ARG A 4 91.121 32.658 -39.626 1.00 63.22 H new ATOM 0 HA ARG A 4 93.773 32.039 -38.443 1.00 11.43 H new ATOM 0 HB2 ARG A 4 92.593 34.115 -37.499 1.00 44.02 H new ATOM 0 HB3 ARG A 4 91.362 33.018 -36.906 1.00 44.02 H new ATOM 0 HG2 ARG A 4 93.148 31.771 -35.645 1.00 45.22 H new ATOM 0 HG3 ARG A 4 94.310 32.975 -36.167 1.00 45.22 H new ATOM 0 HD2 ARG A 4 91.837 33.460 -34.459 1.00 74.23 H new ATOM 0 HD3 ARG A 4 93.504 33.519 -33.921 1.00 74.23 H new ATOM 0 HE ARG A 4 93.094 35.388 -36.082 1.00 11.35 H new ATOM 0 HH11 ARG A 4 92.558 34.944 -32.602 1.00 4.31 H new ATOM 0 HH12 ARG A 4 92.436 36.679 -32.292 1.00 4.31 H new ATOM 0 HH21 ARG A 4 92.917 37.593 -35.662 1.00 63.53 H new ATOM 0 HH22 ARG A 4 92.638 38.170 -34.016 1.00 63.53 H new ATOM 68 N ASP A 5 92.850 29.734 -38.168 1.00 62.14 N ATOM 69 CA ASP A 5 92.335 28.376 -38.059 1.00 64.21 C ATOM 70 C ASP A 5 92.067 28.001 -36.596 1.00 52.05 C ATOM 71 O ASP A 5 92.886 28.262 -35.706 1.00 14.21 O ATOM 72 CB ASP A 5 93.281 27.379 -38.745 1.00 41.30 C ATOM 73 CG ASP A 5 94.667 27.296 -38.134 1.00 23.40 C ATOM 74 OD1 ASP A 5 95.522 28.147 -38.447 1.00 43.01 O ATOM 75 OD2 ASP A 5 94.913 26.357 -37.364 1.00 51.43 O ATOM 0 H ASP A 5 93.860 29.793 -38.300 1.00 62.14 H new ATOM 0 HA ASP A 5 91.378 28.329 -38.579 1.00 64.21 H new ATOM 0 HB2 ASP A 5 92.826 26.389 -38.716 1.00 41.30 H new ATOM 0 HB3 ASP A 5 93.378 27.655 -39.795 1.00 41.30 H new ATOM 80 N ASN A 6 90.899 27.416 -36.363 1.00 33.42 N ATOM 81 CA ASN A 6 90.424 27.116 -35.018 1.00 31.40 C ATOM 82 C ASN A 6 90.744 25.671 -34.649 1.00 63.11 C ATOM 83 O ASN A 6 90.347 24.740 -35.353 1.00 45.01 O ATOM 84 CB ASN A 6 88.912 27.364 -34.930 1.00 63.04 C ATOM 85 CG ASN A 6 88.342 27.157 -33.533 1.00 63.10 C ATOM 86 OD1 ASN A 6 89.004 27.413 -32.523 1.00 35.45 O ATOM 87 ND2 ASN A 6 87.112 26.677 -33.471 1.00 51.13 N ATOM 0 H ASN A 6 90.254 27.136 -37.102 1.00 33.42 H new ATOM 0 HA ASN A 6 90.933 27.773 -34.312 1.00 31.40 H new ATOM 0 HB2 ASN A 6 88.700 28.383 -35.253 1.00 63.04 H new ATOM 0 HB3 ASN A 6 88.401 26.697 -35.624 1.00 63.04 H new ATOM 0 HD21 ASN A 6 86.677 26.505 -32.565 1.00 51.13 H new ATOM 0 HD22 ASN A 6 86.598 26.478 -34.329 1.00 51.13 H new ATOM 94 N LYS A 7 91.459 25.503 -33.542 1.00 52.14 N ATOM 95 CA LYS A 7 91.842 24.184 -33.056 1.00 20.22 C ATOM 96 C LYS A 7 90.718 23.550 -32.250 1.00 12.44 C ATOM 97 O LYS A 7 90.591 23.772 -31.041 1.00 2.04 O ATOM 98 CB LYS A 7 93.120 24.250 -32.211 1.00 44.22 C ATOM 99 CG LYS A 7 94.409 24.032 -32.989 1.00 14.14 C ATOM 100 CD LYS A 7 94.686 25.143 -33.981 1.00 4.04 C ATOM 101 CE LYS A 7 95.952 24.868 -34.773 1.00 62.11 C ATOM 102 NZ LYS A 7 97.172 24.911 -33.930 1.00 53.31 N ATOM 0 H LYS A 7 91.788 26.273 -32.960 1.00 52.14 H new ATOM 0 HA LYS A 7 92.039 23.562 -33.930 1.00 20.22 H new ATOM 0 HB2 LYS A 7 93.167 25.223 -31.723 1.00 44.22 H new ATOM 0 HB3 LYS A 7 93.057 23.501 -31.422 1.00 44.22 H new ATOM 0 HG2 LYS A 7 95.242 23.958 -32.290 1.00 14.14 H new ATOM 0 HG3 LYS A 7 94.352 23.082 -33.520 1.00 14.14 H new ATOM 0 HD2 LYS A 7 93.842 25.244 -34.663 1.00 4.04 H new ATOM 0 HD3 LYS A 7 94.783 26.091 -33.452 1.00 4.04 H new ATOM 0 HE2 LYS A 7 95.875 23.889 -35.245 1.00 62.11 H new ATOM 0 HE3 LYS A 7 96.042 25.602 -35.574 1.00 62.11 H new ATOM 0 HZ1 LYS A 7 98.015 24.852 -34.536 1.00 53.31 H new ATOM 0 HZ2 LYS A 7 97.192 25.802 -33.394 1.00 53.31 H new ATOM 0 HZ3 LYS A 7 97.165 24.109 -33.268 1.00 53.31 H new ATOM 116 N PHE A 8 89.882 22.800 -32.948 1.00 11.03 N ATOM 117 CA PHE A 8 88.803 22.060 -32.334 1.00 22.44 C ATOM 118 C PHE A 8 89.170 20.582 -32.326 1.00 50.21 C ATOM 119 O PHE A 8 89.297 19.953 -33.381 1.00 73.50 O ATOM 120 CB PHE A 8 87.492 22.314 -33.095 1.00 32.23 C ATOM 121 CG PHE A 8 86.274 21.704 -32.454 1.00 35.31 C ATOM 122 CD1 PHE A 8 85.671 22.315 -31.368 1.00 33.35 C ATOM 123 CD2 PHE A 8 85.731 20.525 -32.943 1.00 54.24 C ATOM 124 CE1 PHE A 8 84.554 21.760 -30.780 1.00 53.42 C ATOM 125 CE2 PHE A 8 84.615 19.967 -32.358 1.00 25.02 C ATOM 126 CZ PHE A 8 84.027 20.586 -31.275 1.00 54.12 C ATOM 0 H PHE A 8 89.937 22.690 -33.961 1.00 11.03 H new ATOM 0 HA PHE A 8 88.652 22.390 -31.306 1.00 22.44 H new ATOM 0 HB2 PHE A 8 87.340 23.390 -33.185 1.00 32.23 H new ATOM 0 HB3 PHE A 8 87.591 21.921 -34.107 1.00 32.23 H new ATOM 0 HD1 PHE A 8 86.079 23.235 -30.977 1.00 33.35 H new ATOM 0 HD2 PHE A 8 86.188 20.039 -33.792 1.00 54.24 H new ATOM 0 HE1 PHE A 8 84.092 22.245 -29.932 1.00 53.42 H new ATOM 0 HE2 PHE A 8 84.202 19.048 -32.746 1.00 25.02 H new ATOM 0 HZ PHE A 8 83.153 20.151 -30.814 1.00 54.12 H new ATOM 136 N ASN A 9 89.369 20.051 -31.132 1.00 13.41 N ATOM 137 CA ASN A 9 89.744 18.654 -30.957 1.00 31.13 C ATOM 138 C ASN A 9 88.537 17.823 -30.525 1.00 2.23 C ATOM 139 O ASN A 9 87.478 18.371 -30.204 1.00 40.24 O ATOM 140 CB ASN A 9 90.904 18.514 -29.949 1.00 13.34 C ATOM 141 CG ASN A 9 90.690 19.291 -28.655 1.00 33.22 C ATOM 142 OD1 ASN A 9 91.098 20.443 -28.540 1.00 41.20 O ATOM 143 ND2 ASN A 9 90.056 18.669 -27.678 1.00 50.00 N ATOM 0 H ASN A 9 89.276 20.571 -30.259 1.00 13.41 H new ATOM 0 HA ASN A 9 90.092 18.273 -31.917 1.00 31.13 H new ATOM 0 HB2 ASN A 9 91.041 17.459 -29.710 1.00 13.34 H new ATOM 0 HB3 ASN A 9 91.826 18.856 -30.420 1.00 13.34 H new ATOM 0 HD21 ASN A 9 89.891 19.146 -26.792 1.00 50.00 H new ATOM 0 HD22 ASN A 9 89.731 17.711 -27.809 1.00 50.00 H new ATOM 150 N THR A 10 88.690 16.504 -30.559 1.00 41.45 N ATOM 151 CA THR A 10 87.638 15.584 -30.145 1.00 25.41 C ATOM 152 C THR A 10 88.223 14.464 -29.280 1.00 42.41 C ATOM 153 O THR A 10 88.802 13.495 -29.786 1.00 13.32 O ATOM 154 CB THR A 10 86.891 14.986 -31.368 1.00 1.11 C ATOM 155 OG1 THR A 10 86.433 16.040 -32.224 1.00 34.35 O ATOM 156 CG2 THR A 10 85.692 14.154 -30.938 1.00 30.12 C ATOM 0 H THR A 10 89.544 16.044 -30.873 1.00 41.45 H new ATOM 0 HA THR A 10 86.914 16.148 -29.556 1.00 25.41 H new ATOM 0 HB THR A 10 87.593 14.343 -31.898 1.00 1.11 H new ATOM 0 HG1 THR A 10 85.964 15.656 -32.994 1.00 34.35 H new ATOM 0 HG21 THR A 10 85.193 13.751 -31.820 1.00 30.12 H new ATOM 0 HG22 THR A 10 86.027 13.333 -30.304 1.00 30.12 H new ATOM 0 HG23 THR A 10 84.995 14.781 -30.382 1.00 30.12 H new ATOM 164 N TRP A 11 88.105 14.635 -27.974 1.00 54.23 N ATOM 165 CA TRP A 11 88.555 13.643 -27.014 1.00 33.22 C ATOM 166 C TRP A 11 87.384 13.164 -26.184 1.00 70.50 C ATOM 167 O TRP A 11 86.926 13.853 -25.267 1.00 54.11 O ATOM 168 CB TRP A 11 89.649 14.202 -26.098 1.00 42.33 C ATOM 169 CG TRP A 11 90.933 14.508 -26.806 1.00 45.21 C ATOM 170 CD1 TRP A 11 91.490 15.736 -26.995 1.00 51.10 C ATOM 171 CD2 TRP A 11 91.818 13.566 -27.430 1.00 41.40 C ATOM 172 NE1 TRP A 11 92.667 15.618 -27.686 1.00 61.03 N ATOM 173 CE2 TRP A 11 92.892 14.298 -27.963 1.00 0.34 C ATOM 174 CE3 TRP A 11 91.810 12.176 -27.581 1.00 52.12 C ATOM 175 CZ2 TRP A 11 93.945 13.687 -28.640 1.00 31.03 C ATOM 176 CZ3 TRP A 11 92.852 11.572 -28.251 1.00 4.43 C ATOM 177 CH2 TRP A 11 93.906 12.325 -28.770 1.00 55.31 C ATOM 0 H TRP A 11 87.694 15.467 -27.550 1.00 54.23 H new ATOM 0 HA TRP A 11 88.978 12.806 -27.569 1.00 33.22 H new ATOM 0 HB2 TRP A 11 89.282 15.111 -25.622 1.00 42.33 H new ATOM 0 HB3 TRP A 11 89.846 13.483 -25.303 1.00 42.33 H new ATOM 0 HD1 TRP A 11 91.066 16.667 -26.650 1.00 51.10 H new ATOM 0 HE1 TRP A 11 93.278 16.391 -27.951 1.00 61.03 H new ATOM 0 HE3 TRP A 11 91.000 11.585 -27.179 1.00 52.12 H new ATOM 0 HZ2 TRP A 11 94.761 14.266 -29.047 1.00 31.03 H new ATOM 0 HZ3 TRP A 11 92.853 10.499 -28.376 1.00 4.43 H new ATOM 0 HH2 TRP A 11 94.710 11.821 -29.286 1.00 55.31 H new ATOM 188 N ASN A 12 86.882 11.995 -26.525 1.00 51.21 N ATOM 189 CA ASN A 12 85.785 11.396 -25.790 1.00 12.34 C ATOM 190 C ASN A 12 86.245 10.096 -25.146 1.00 33.32 C ATOM 191 O ASN A 12 86.884 9.255 -25.788 1.00 63.34 O ATOM 192 CB ASN A 12 84.547 11.183 -26.691 1.00 20.40 C ATOM 193 CG ASN A 12 84.742 10.177 -27.818 1.00 73.11 C ATOM 194 OD1 ASN A 12 85.260 10.513 -28.882 1.00 33.34 O ATOM 195 ND2 ASN A 12 84.292 8.944 -27.604 1.00 33.35 N ATOM 0 H ASN A 12 87.218 11.438 -27.311 1.00 51.21 H new ATOM 0 HA ASN A 12 85.479 12.082 -25.000 1.00 12.34 H new ATOM 0 HB2 ASN A 12 83.715 10.853 -26.069 1.00 20.40 H new ATOM 0 HB3 ASN A 12 84.261 12.142 -27.124 1.00 20.40 H new ATOM 0 HD21 ASN A 12 84.370 8.238 -28.336 1.00 33.35 H new ATOM 0 HD22 ASN A 12 83.868 8.704 -26.708 1.00 33.35 H new ATOM 202 N ASP A 13 85.966 9.969 -23.867 1.00 22.32 N ATOM 203 CA ASP A 13 86.249 8.750 -23.132 1.00 30.30 C ATOM 204 C ASP A 13 84.930 8.088 -22.774 1.00 64.52 C ATOM 205 O ASP A 13 84.185 8.588 -21.928 1.00 30.34 O ATOM 206 CB ASP A 13 87.073 9.059 -21.871 1.00 2.12 C ATOM 207 CG ASP A 13 87.478 7.815 -21.117 1.00 20.31 C ATOM 208 OD1 ASP A 13 88.350 7.075 -21.616 1.00 73.22 O ATOM 209 OD2 ASP A 13 86.932 7.575 -20.025 1.00 72.43 O ATOM 0 H ASP A 13 85.537 10.705 -23.306 1.00 22.32 H new ATOM 0 HA ASP A 13 86.840 8.072 -23.748 1.00 30.30 H new ATOM 0 HB2 ASP A 13 87.967 9.614 -22.154 1.00 2.12 H new ATOM 0 HB3 ASP A 13 86.492 9.705 -21.212 1.00 2.12 H new ATOM 214 N SER A 14 84.624 6.994 -23.453 1.00 2.43 N ATOM 215 CA SER A 14 83.332 6.358 -23.311 1.00 62.21 C ATOM 216 C SER A 14 83.472 4.923 -22.803 1.00 52.32 C ATOM 217 O SER A 14 83.763 3.998 -23.569 1.00 23.22 O ATOM 218 CB SER A 14 82.585 6.385 -24.645 1.00 42.22 C ATOM 219 OG SER A 14 82.490 7.704 -25.164 1.00 41.13 O ATOM 0 H SER A 14 85.255 6.531 -24.107 1.00 2.43 H new ATOM 0 HA SER A 14 82.757 6.916 -22.572 1.00 62.21 H new ATOM 0 HB2 SER A 14 83.099 5.747 -25.364 1.00 42.22 H new ATOM 0 HB3 SER A 14 81.585 5.973 -24.511 1.00 42.22 H new ATOM 0 HG SER A 14 82.009 7.686 -26.018 1.00 41.13 H new ATOM 225 N ARG A 15 83.325 4.771 -21.491 1.00 40.03 N ATOM 226 CA ARG A 15 83.185 3.458 -20.858 1.00 43.24 C ATOM 227 C ARG A 15 81.730 3.266 -20.424 1.00 75.33 C ATOM 228 O ARG A 15 80.893 4.141 -20.663 1.00 41.23 O ATOM 229 CB ARG A 15 84.117 3.288 -19.638 1.00 63.11 C ATOM 230 CG ARG A 15 85.568 2.955 -19.968 1.00 2.32 C ATOM 231 CD ARG A 15 86.420 4.189 -20.228 1.00 52.13 C ATOM 232 NE ARG A 15 87.835 3.849 -20.417 1.00 45.04 N ATOM 233 CZ ARG A 15 88.842 4.362 -19.696 1.00 43.44 C ATOM 234 NH1 ARG A 15 88.604 5.230 -18.711 1.00 0.20 N ATOM 235 NH2 ARG A 15 90.089 3.988 -19.959 1.00 2.01 N ATOM 0 H ARG A 15 83.299 5.551 -20.835 1.00 40.03 H new ATOM 0 HA ARG A 15 83.472 2.703 -21.590 1.00 43.24 H new ATOM 0 HB2 ARG A 15 84.096 4.209 -19.055 1.00 63.11 H new ATOM 0 HB3 ARG A 15 83.716 2.499 -19.002 1.00 63.11 H new ATOM 0 HG2 ARG A 15 86.001 2.389 -19.143 1.00 2.32 H new ATOM 0 HG3 ARG A 15 85.596 2.310 -20.846 1.00 2.32 H new ATOM 0 HD2 ARG A 15 86.050 4.705 -21.114 1.00 52.13 H new ATOM 0 HD3 ARG A 15 86.322 4.881 -19.391 1.00 52.13 H new ATOM 0 HE ARG A 15 88.068 3.176 -21.147 1.00 45.04 H new ATOM 0 HH11 ARG A 15 87.647 5.511 -18.499 1.00 0.20 H new ATOM 0 HH12 ARG A 15 89.379 5.613 -18.170 1.00 0.20 H new ATOM 0 HH21 ARG A 15 90.274 3.316 -20.704 1.00 2.01 H new ATOM 0 HH22 ARG A 15 90.862 4.373 -19.416 1.00 2.01 H new ATOM 249 N GLY A 16 81.427 2.136 -19.792 1.00 42.24 N ATOM 250 CA GLY A 16 80.076 1.879 -19.334 1.00 14.43 C ATOM 251 C GLY A 16 79.995 0.671 -18.432 1.00 52.34 C ATOM 252 O GLY A 16 80.342 -0.438 -18.846 1.00 20.33 O ATOM 0 H GLY A 16 82.096 1.393 -19.589 1.00 42.24 H new ATOM 0 HA2 GLY A 16 79.704 2.753 -18.800 1.00 14.43 H new ATOM 0 HA3 GLY A 16 79.425 1.730 -20.196 1.00 14.43 H new ATOM 256 N ASN A 17 79.550 0.882 -17.196 1.00 14.55 N ATOM 257 CA ASN A 17 79.363 -0.220 -16.258 1.00 4.34 C ATOM 258 C ASN A 17 77.948 -0.782 -16.386 1.00 72.02 C ATOM 259 O ASN A 17 77.009 -0.058 -16.738 1.00 24.12 O ATOM 260 CB ASN A 17 79.660 0.214 -14.800 1.00 62.53 C ATOM 261 CG ASN A 17 78.638 1.181 -14.200 1.00 24.24 C ATOM 262 OD1 ASN A 17 78.746 2.393 -14.359 1.00 15.31 O ATOM 263 ND2 ASN A 17 77.664 0.651 -13.469 1.00 71.30 N ATOM 0 H ASN A 17 79.313 1.801 -16.823 1.00 14.55 H new ATOM 0 HA ASN A 17 80.076 -1.005 -16.510 1.00 4.34 H new ATOM 0 HB2 ASN A 17 79.709 -0.676 -14.173 1.00 62.53 H new ATOM 0 HB3 ASN A 17 80.644 0.681 -14.768 1.00 62.53 H new ATOM 0 HD21 ASN A 17 76.977 1.256 -13.019 1.00 71.30 H new ATOM 0 HD22 ASN A 17 77.603 -0.361 -13.357 1.00 71.30 H new ATOM 270 N TYR A 18 77.811 -2.071 -16.115 1.00 31.52 N ATOM 271 CA TYR A 18 76.513 -2.725 -16.134 1.00 44.51 C ATOM 272 C TYR A 18 75.833 -2.584 -14.780 1.00 20.51 C ATOM 273 O TYR A 18 76.492 -2.586 -13.736 1.00 3.31 O ATOM 274 CB TYR A 18 76.647 -4.205 -16.511 1.00 50.51 C ATOM 275 CG TYR A 18 77.027 -4.443 -17.963 1.00 55.31 C ATOM 276 CD1 TYR A 18 76.051 -4.527 -18.946 1.00 12.44 C ATOM 277 CD2 TYR A 18 78.356 -4.586 -18.348 1.00 25.00 C ATOM 278 CE1 TYR A 18 76.384 -4.748 -20.269 1.00 14.32 C ATOM 279 CE2 TYR A 18 78.698 -4.806 -19.669 1.00 34.11 C ATOM 280 CZ TYR A 18 77.709 -4.885 -20.627 1.00 61.04 C ATOM 281 OH TYR A 18 78.043 -5.102 -21.945 1.00 1.24 O ATOM 0 H TYR A 18 78.588 -2.687 -15.878 1.00 31.52 H new ATOM 0 HA TYR A 18 75.898 -2.238 -16.891 1.00 44.51 H new ATOM 0 HB2 TYR A 18 77.398 -4.666 -15.870 1.00 50.51 H new ATOM 0 HB3 TYR A 18 75.702 -4.708 -16.307 1.00 50.51 H new ATOM 0 HD1 TYR A 18 75.012 -4.418 -18.672 1.00 12.44 H new ATOM 0 HD2 TYR A 18 79.134 -4.524 -17.602 1.00 25.00 H new ATOM 0 HE1 TYR A 18 75.610 -4.813 -21.019 1.00 14.32 H new ATOM 0 HE2 TYR A 18 79.735 -4.916 -19.950 1.00 34.11 H new ATOM 0 HH TYR A 18 79.017 -5.175 -22.028 1.00 1.24 H new ATOM 291 N TRP A 19 74.523 -2.429 -14.806 1.00 54.42 N ATOM 292 CA TRP A 19 73.747 -2.248 -13.590 1.00 61.43 C ATOM 293 C TRP A 19 72.992 -3.534 -13.265 1.00 53.31 C ATOM 294 O TRP A 19 72.265 -4.065 -14.107 1.00 3.42 O ATOM 295 CB TRP A 19 72.757 -1.079 -13.746 1.00 45.11 C ATOM 296 CG TRP A 19 73.388 0.209 -14.215 1.00 5.13 C ATOM 297 CD1 TRP A 19 73.520 0.633 -15.511 1.00 12.43 C ATOM 298 CD2 TRP A 19 73.970 1.240 -13.400 1.00 52.25 C ATOM 299 NE1 TRP A 19 74.159 1.847 -15.551 1.00 41.11 N ATOM 300 CE2 TRP A 19 74.441 2.243 -14.270 1.00 31.33 C ATOM 301 CE3 TRP A 19 74.144 1.412 -12.023 1.00 14.50 C ATOM 302 CZ2 TRP A 19 75.068 3.395 -13.807 1.00 60.12 C ATOM 303 CZ3 TRP A 19 74.764 2.559 -11.568 1.00 45.41 C ATOM 304 CH2 TRP A 19 75.221 3.536 -12.458 1.00 34.21 C ATOM 0 H TRP A 19 73.969 -2.425 -15.662 1.00 54.42 H new ATOM 0 HA TRP A 19 74.428 -2.013 -12.772 1.00 61.43 H new ATOM 0 HB2 TRP A 19 71.980 -1.368 -14.453 1.00 45.11 H new ATOM 0 HB3 TRP A 19 72.267 -0.903 -12.788 1.00 45.11 H new ATOM 0 HD1 TRP A 19 73.171 0.090 -16.377 1.00 12.43 H new ATOM 0 HE1 TRP A 19 74.387 2.369 -16.397 1.00 41.11 H new ATOM 0 HE3 TRP A 19 73.799 0.661 -11.328 1.00 14.50 H new ATOM 0 HZ2 TRP A 19 75.422 4.152 -14.491 1.00 60.12 H new ATOM 0 HZ3 TRP A 19 74.898 2.704 -10.506 1.00 45.41 H new ATOM 0 HH2 TRP A 19 75.705 4.420 -12.070 1.00 34.21 H new ATOM 315 N SER A 20 73.182 -4.044 -12.054 1.00 55.33 N ATOM 316 CA SER A 20 72.539 -5.280 -11.634 1.00 1.13 C ATOM 317 C SER A 20 71.816 -5.082 -10.309 1.00 4.15 C ATOM 318 O SER A 20 72.441 -4.816 -9.276 1.00 22.51 O ATOM 319 CB SER A 20 73.574 -6.401 -11.515 1.00 54.42 C ATOM 320 OG SER A 20 74.294 -6.555 -12.728 1.00 54.11 O ATOM 0 H SER A 20 73.778 -3.618 -11.345 1.00 55.33 H new ATOM 0 HA SER A 20 71.804 -5.562 -12.388 1.00 1.13 H new ATOM 0 HB2 SER A 20 74.266 -6.178 -10.702 1.00 54.42 H new ATOM 0 HB3 SER A 20 73.075 -7.337 -11.262 1.00 54.42 H new ATOM 0 HG SER A 20 74.951 -7.275 -12.629 1.00 54.11 H new ATOM 326 N ASP A 21 70.492 -5.180 -10.358 1.00 44.32 N ATOM 327 CA ASP A 21 69.640 -5.043 -9.176 1.00 33.00 C ATOM 328 C ASP A 21 68.608 -6.155 -9.153 1.00 4.52 C ATOM 329 O ASP A 21 67.992 -6.454 -10.184 1.00 22.30 O ATOM 330 CB ASP A 21 68.902 -3.693 -9.161 1.00 54.13 C ATOM 331 CG ASP A 21 69.808 -2.491 -8.959 1.00 44.15 C ATOM 332 OD1 ASP A 21 70.058 -2.115 -7.797 1.00 61.22 O ATOM 333 OD2 ASP A 21 70.266 -1.912 -9.962 1.00 23.43 O ATOM 0 H ASP A 21 69.975 -5.357 -11.219 1.00 44.32 H new ATOM 0 HA ASP A 21 70.286 -5.100 -8.300 1.00 33.00 H new ATOM 0 HB2 ASP A 21 68.365 -3.575 -10.102 1.00 54.13 H new ATOM 0 HB3 ASP A 21 68.155 -3.709 -8.367 1.00 54.13 H new ATOM 338 N TYR A 22 68.422 -6.768 -7.987 1.00 55.40 N ATOM 339 CA TYR A 22 67.423 -7.822 -7.809 1.00 43.32 C ATOM 340 C TYR A 22 67.150 -8.051 -6.328 1.00 51.21 C ATOM 341 O TYR A 22 68.074 -8.298 -5.547 1.00 71.31 O ATOM 342 CB TYR A 22 67.881 -9.134 -8.467 1.00 73.04 C ATOM 343 CG TYR A 22 66.815 -10.192 -8.524 1.00 3.15 C ATOM 344 CD1 TYR A 22 65.691 -10.022 -9.315 1.00 22.11 C ATOM 345 CD2 TYR A 22 66.923 -11.354 -7.780 1.00 34.30 C ATOM 346 CE1 TYR A 22 64.706 -10.980 -9.361 1.00 33.12 C ATOM 347 CE2 TYR A 22 65.944 -12.314 -7.819 1.00 5.42 C ATOM 348 CZ TYR A 22 64.840 -12.126 -8.610 1.00 13.45 C ATOM 349 OH TYR A 22 63.859 -13.081 -8.638 1.00 75.23 O ATOM 0 H TYR A 22 68.954 -6.552 -7.144 1.00 55.40 H new ATOM 0 HA TYR A 22 66.503 -7.497 -8.294 1.00 43.32 H new ATOM 0 HB2 TYR A 22 68.222 -8.921 -9.480 1.00 73.04 H new ATOM 0 HB3 TYR A 22 68.738 -9.525 -7.918 1.00 73.04 H new ATOM 0 HD1 TYR A 22 65.587 -9.123 -9.905 1.00 22.11 H new ATOM 0 HD2 TYR A 22 67.793 -11.507 -7.158 1.00 34.30 H new ATOM 0 HE1 TYR A 22 63.834 -10.835 -9.981 1.00 33.12 H new ATOM 0 HE2 TYR A 22 66.042 -13.214 -7.229 1.00 5.42 H new ATOM 0 HH TYR A 22 64.111 -13.826 -8.053 1.00 75.23 H new ATOM 848 N PRO A 59 -20.003 -3.600 14.998 1.00 51.53 N ATOM 849 CA PRO A 59 -18.675 -4.162 14.707 1.00 20.04 C ATOM 850 C PRO A 59 -17.683 -3.121 14.169 1.00 44.41 C ATOM 851 O PRO A 59 -18.075 -2.047 13.700 1.00 31.24 O ATOM 852 CB PRO A 59 -18.958 -5.240 13.652 1.00 34.35 C ATOM 853 CG PRO A 59 -20.280 -4.881 13.062 1.00 64.25 C ATOM 854 CD PRO A 59 -21.055 -4.217 14.158 1.00 44.51 C ATOM 0 HA PRO A 59 -18.201 -4.546 15.610 1.00 20.04 H new ATOM 0 HB2 PRO A 59 -18.179 -5.257 12.889 1.00 34.35 H new ATOM 0 HB3 PRO A 59 -18.985 -6.232 14.102 1.00 34.35 H new ATOM 0 HG2 PRO A 59 -20.158 -4.212 12.210 1.00 64.25 H new ATOM 0 HG3 PRO A 59 -20.799 -5.768 12.699 1.00 64.25 H new ATOM 0 HD2 PRO A 59 -21.746 -3.470 13.766 1.00 44.51 H new ATOM 0 HD3 PRO A 59 -21.649 -4.936 14.722 1.00 44.51 H new ATOM 862 N VAL A 60 -16.402 -3.452 14.243 1.00 54.13 N ATOM 863 CA VAL A 60 -15.340 -2.519 13.911 1.00 74.40 C ATOM 864 C VAL A 60 -15.159 -2.366 12.389 1.00 30.32 C ATOM 865 O VAL A 60 -15.253 -3.332 11.629 1.00 42.34 O ATOM 866 CB VAL A 60 -14.018 -2.932 14.630 1.00 11.43 C ATOM 867 CG1 VAL A 60 -13.491 -4.284 14.170 1.00 73.51 C ATOM 868 CG2 VAL A 60 -12.945 -1.866 14.502 1.00 21.43 C ATOM 0 H VAL A 60 -16.072 -4.372 14.534 1.00 54.13 H new ATOM 0 HA VAL A 60 -15.625 -1.532 14.276 1.00 74.40 H new ATOM 0 HB VAL A 60 -14.274 -3.030 15.685 1.00 11.43 H new ATOM 0 HG11 VAL A 60 -12.570 -4.517 14.705 1.00 73.51 H new ATOM 0 HG12 VAL A 60 -14.235 -5.054 14.376 1.00 73.51 H new ATOM 0 HG13 VAL A 60 -13.290 -4.251 13.099 1.00 73.51 H new ATOM 0 HG21 VAL A 60 -12.042 -2.195 15.017 1.00 21.43 H new ATOM 0 HG22 VAL A 60 -12.722 -1.699 13.448 1.00 21.43 H new ATOM 0 HG23 VAL A 60 -13.300 -0.937 14.949 1.00 21.43 H new ATOM 878 N LEU A 61 -14.970 -1.112 11.978 1.00 63.23 N ATOM 879 CA LEU A 61 -14.622 -0.746 10.605 1.00 12.21 C ATOM 880 C LEU A 61 -13.107 -0.993 10.374 1.00 65.50 C ATOM 881 O LEU A 61 -12.366 -1.123 11.350 1.00 33.23 O ATOM 882 CB LEU A 61 -15.065 0.731 10.270 1.00 23.44 C ATOM 883 CG LEU A 61 -14.901 1.894 11.310 1.00 40.11 C ATOM 884 CD1 LEU A 61 -15.923 1.812 12.442 1.00 65.21 C ATOM 885 CD2 LEU A 61 -13.489 2.003 11.882 1.00 50.43 C ATOM 0 H LEU A 61 -15.056 -0.308 12.600 1.00 63.23 H new ATOM 0 HA LEU A 61 -15.173 -1.380 9.910 1.00 12.21 H new ATOM 0 HB2 LEU A 61 -14.521 1.029 9.374 1.00 23.44 H new ATOM 0 HB3 LEU A 61 -16.121 0.692 10.003 1.00 23.44 H new ATOM 0 HG LEU A 61 -15.091 2.804 10.741 1.00 40.11 H new ATOM 0 HD11 LEU A 61 -15.766 2.639 13.134 1.00 65.21 H new ATOM 0 HD12 LEU A 61 -16.930 1.871 12.028 1.00 65.21 H new ATOM 0 HD13 LEU A 61 -15.803 0.867 12.973 1.00 65.21 H new ATOM 0 HD21 LEU A 61 -13.447 2.827 12.594 1.00 50.43 H new ATOM 0 HD22 LEU A 61 -13.229 1.073 12.388 1.00 50.43 H new ATOM 0 HD23 LEU A 61 -12.782 2.186 11.073 1.00 50.43 H new ATOM 897 N PRO A 62 -12.593 -1.066 9.114 1.00 53.31 N ATOM 898 CA PRO A 62 -11.231 -1.540 8.878 1.00 10.15 C ATOM 899 C PRO A 62 -10.174 -0.458 9.072 1.00 54.12 C ATOM 900 O PRO A 62 -10.484 0.698 9.374 1.00 21.43 O ATOM 901 CB PRO A 62 -11.281 -2.004 7.419 1.00 53.44 C ATOM 902 CG PRO A 62 -12.274 -1.106 6.765 1.00 74.23 C ATOM 903 CD PRO A 62 -13.233 -0.660 7.842 1.00 71.41 C ATOM 0 HA PRO A 62 -10.942 -2.318 9.585 1.00 10.15 H new ATOM 0 HB2 PRO A 62 -10.303 -1.923 6.945 1.00 53.44 H new ATOM 0 HB3 PRO A 62 -11.585 -3.048 7.347 1.00 53.44 H new ATOM 0 HG2 PRO A 62 -11.779 -0.249 6.309 1.00 74.23 H new ATOM 0 HG3 PRO A 62 -12.803 -1.629 5.969 1.00 74.23 H new ATOM 0 HD2 PRO A 62 -13.393 0.418 7.807 1.00 71.41 H new ATOM 0 HD3 PRO A 62 -14.208 -1.131 7.722 1.00 71.41 H new ATOM 911 N THR A 63 -8.928 -0.847 8.926 1.00 41.33 N ATOM 912 CA THR A 63 -7.844 0.087 8.948 1.00 35.03 C ATOM 913 C THR A 63 -6.858 -0.301 7.859 1.00 54.24 C ATOM 914 O THR A 63 -6.456 -1.470 7.749 1.00 30.11 O ATOM 915 CB THR A 63 -7.174 0.199 10.363 1.00 20.51 C ATOM 916 OG1 THR A 63 -6.328 1.354 10.416 1.00 5.21 O ATOM 917 CG2 THR A 63 -6.352 -1.017 10.766 1.00 42.02 C ATOM 0 H THR A 63 -8.646 -1.818 8.790 1.00 41.33 H new ATOM 0 HA THR A 63 -8.225 1.088 8.745 1.00 35.03 H new ATOM 0 HB THR A 63 -8.002 0.274 11.068 1.00 20.51 H new ATOM 0 HG1 THR A 63 -5.916 1.417 11.303 1.00 5.21 H new ATOM 0 HG21 THR A 63 -5.925 -0.856 11.756 1.00 42.02 H new ATOM 0 HG22 THR A 63 -6.993 -1.899 10.786 1.00 42.02 H new ATOM 0 HG23 THR A 63 -5.549 -1.168 10.045 1.00 42.02 H new ATOM 925 N ALA A 64 -6.564 0.644 6.984 1.00 64.53 N ATOM 926 CA ALA A 64 -5.567 0.433 5.966 1.00 3.11 C ATOM 927 C ALA A 64 -4.224 0.843 6.512 1.00 63.42 C ATOM 928 O ALA A 64 -3.906 2.031 6.640 1.00 44.34 O ATOM 929 CB ALA A 64 -5.900 1.183 4.695 1.00 21.42 C ATOM 0 H ALA A 64 -7.005 1.563 6.963 1.00 64.53 H new ATOM 0 HA ALA A 64 -5.543 -0.624 5.701 1.00 3.11 H new ATOM 0 HB1 ALA A 64 -5.125 0.999 3.951 1.00 21.42 H new ATOM 0 HB2 ALA A 64 -6.861 0.840 4.311 1.00 21.42 H new ATOM 0 HB3 ALA A 64 -5.954 2.251 4.906 1.00 21.42 H new ATOM 935 N ARG A 65 -3.461 -0.158 6.874 1.00 72.23 N ATOM 936 CA ARG A 65 -2.160 0.037 7.452 1.00 3.12 C ATOM 937 C ARG A 65 -1.159 -0.739 6.639 1.00 21.42 C ATOM 938 O ARG A 65 -1.504 -1.748 6.016 1.00 64.51 O ATOM 939 CB ARG A 65 -2.119 -0.427 8.913 1.00 41.14 C ATOM 940 CG ARG A 65 -2.833 0.482 9.895 1.00 44.45 C ATOM 941 CD ARG A 65 -2.712 -0.048 11.315 1.00 42.54 C ATOM 942 NE ARG A 65 -3.151 0.928 12.309 1.00 75.43 N ATOM 943 CZ ARG A 65 -3.009 0.788 13.632 1.00 24.24 C ATOM 944 NH1 ARG A 65 -2.553 -0.345 14.152 1.00 33.31 N ATOM 945 NH2 ARG A 65 -3.359 1.789 14.430 1.00 51.14 N ATOM 0 H ARG A 65 -3.729 -1.137 6.774 1.00 72.23 H new ATOM 0 HA ARG A 65 -1.922 1.101 7.441 1.00 3.12 H new ATOM 0 HB2 ARG A 65 -2.560 -1.422 8.975 1.00 41.14 H new ATOM 0 HB3 ARG A 65 -1.077 -0.521 9.219 1.00 41.14 H new ATOM 0 HG2 ARG A 65 -2.411 1.485 9.840 1.00 44.45 H new ATOM 0 HG3 ARG A 65 -3.885 0.564 9.622 1.00 44.45 H new ATOM 0 HD2 ARG A 65 -3.306 -0.956 11.414 1.00 42.54 H new ATOM 0 HD3 ARG A 65 -1.676 -0.322 11.511 1.00 42.54 H new ATOM 0 HE ARG A 65 -3.599 1.779 11.969 1.00 75.43 H new ATOM 0 HH11 ARG A 65 -2.306 -1.123 13.541 1.00 33.31 H new ATOM 0 HH12 ARG A 65 -2.450 -0.437 15.163 1.00 33.31 H new ATOM 0 HH21 ARG A 65 -3.731 2.652 14.033 1.00 51.14 H new ATOM 0 HH22 ARG A 65 -3.256 1.696 15.440 1.00 51.14 H new ATOM 959 N PHE A 66 0.053 -0.231 6.605 1.00 24.35 N ATOM 960 CA PHE A 66 1.163 -0.885 5.936 1.00 41.02 C ATOM 961 C PHE A 66 2.472 -0.359 6.498 1.00 45.34 C ATOM 962 O PHE A 66 2.532 0.760 7.017 1.00 41.33 O ATOM 963 CB PHE A 66 1.105 -0.707 4.396 1.00 64.53 C ATOM 964 CG PHE A 66 0.684 0.661 3.912 1.00 11.24 C ATOM 965 CD1 PHE A 66 1.543 1.744 3.978 1.00 11.50 C ATOM 966 CD2 PHE A 66 -0.589 0.860 3.404 1.00 23.20 C ATOM 967 CE1 PHE A 66 1.140 2.987 3.556 1.00 54.34 C ATOM 968 CE2 PHE A 66 -0.992 2.101 2.975 1.00 52.51 C ATOM 969 CZ PHE A 66 -0.128 3.169 3.054 1.00 41.24 C ATOM 0 H PHE A 66 0.301 0.656 7.044 1.00 24.35 H new ATOM 0 HA PHE A 66 1.093 -1.956 6.126 1.00 41.02 H new ATOM 0 HB2 PHE A 66 2.089 -0.931 3.985 1.00 64.53 H new ATOM 0 HB3 PHE A 66 0.414 -1.445 3.989 1.00 64.53 H new ATOM 0 HD1 PHE A 66 2.542 1.610 4.366 1.00 11.50 H new ATOM 0 HD2 PHE A 66 -1.275 0.028 3.344 1.00 23.20 H new ATOM 0 HE1 PHE A 66 1.820 3.824 3.618 1.00 54.34 H new ATOM 0 HE2 PHE A 66 -1.986 2.238 2.576 1.00 52.51 H new ATOM 0 HZ PHE A 66 -0.444 4.147 2.723 1.00 41.24 H new ATOM 979 N THR A 67 3.503 -1.175 6.423 1.00 45.22 N ATOM 980 CA THR A 67 4.830 -0.738 6.784 1.00 15.30 C ATOM 981 C THR A 67 5.746 -0.805 5.565 1.00 24.21 C ATOM 982 O THR A 67 5.777 -1.797 4.830 1.00 61.04 O ATOM 983 CB THR A 67 5.400 -1.538 7.993 1.00 51.50 C ATOM 984 OG1 THR A 67 6.754 -1.159 8.258 1.00 44.24 O ATOM 985 CG2 THR A 67 5.324 -3.047 7.785 1.00 54.22 C ATOM 0 H THR A 67 3.444 -2.145 6.114 1.00 45.22 H new ATOM 0 HA THR A 67 4.774 0.300 7.113 1.00 15.30 H new ATOM 0 HB THR A 67 4.775 -1.289 8.850 1.00 51.50 H new ATOM 0 HG1 THR A 67 7.094 -1.671 9.022 1.00 44.24 H new ATOM 0 HG21 THR A 67 5.734 -3.556 8.657 1.00 54.22 H new ATOM 0 HG22 THR A 67 4.284 -3.343 7.648 1.00 54.22 H new ATOM 0 HG23 THR A 67 5.899 -3.322 6.901 1.00 54.22 H new ATOM 993 N SER A 68 6.434 0.296 5.330 1.00 10.45 N ATOM 994 CA SER A 68 7.410 0.395 4.260 1.00 34.43 C ATOM 995 C SER A 68 8.763 0.754 4.850 1.00 63.23 C ATOM 996 O SER A 68 8.840 1.576 5.766 1.00 22.23 O ATOM 997 CB SER A 68 6.973 1.443 3.222 1.00 71.41 C ATOM 998 OG SER A 68 6.718 2.699 3.831 1.00 1.54 O ATOM 0 H SER A 68 6.332 1.150 5.878 1.00 10.45 H new ATOM 0 HA SER A 68 7.484 -0.566 3.750 1.00 34.43 H new ATOM 0 HB2 SER A 68 7.750 1.555 2.466 1.00 71.41 H new ATOM 0 HB3 SER A 68 6.076 1.097 2.709 1.00 71.41 H new ATOM 0 HG SER A 68 6.444 3.345 3.147 1.00 1.54 H new ATOM 1004 N ASP A 69 9.813 0.118 4.342 1.00 65.11 N ATOM 1005 CA ASP A 69 11.177 0.354 4.810 1.00 3.42 C ATOM 1006 C ASP A 69 11.602 1.791 4.514 1.00 50.21 C ATOM 1007 O ASP A 69 11.976 2.540 5.422 1.00 51.35 O ATOM 1008 CB ASP A 69 12.134 -0.636 4.138 1.00 61.44 C ATOM 1009 CG ASP A 69 13.549 -0.546 4.669 1.00 25.52 C ATOM 1010 OD1 ASP A 69 13.827 -1.134 5.730 1.00 52.33 O ATOM 1011 OD2 ASP A 69 14.382 0.118 4.032 1.00 2.24 O ATOM 0 H ASP A 69 9.745 -0.574 3.596 1.00 65.11 H new ATOM 0 HA ASP A 69 11.212 0.203 5.889 1.00 3.42 H new ATOM 0 HB2 ASP A 69 11.761 -1.650 4.285 1.00 61.44 H new ATOM 0 HB3 ASP A 69 12.143 -0.452 3.064 1.00 61.44 H new ATOM 1016 N ILE A 70 11.507 2.174 3.248 1.00 21.44 N ATOM 1017 CA ILE A 70 11.823 3.526 2.837 1.00 63.51 C ATOM 1018 C ILE A 70 10.577 4.264 2.372 1.00 63.15 C ATOM 1019 O ILE A 70 9.651 3.679 1.802 1.00 73.35 O ATOM 1020 CB ILE A 70 12.945 3.583 1.742 1.00 54.54 C ATOM 1021 CG1 ILE A 70 12.733 2.549 0.612 1.00 71.41 C ATOM 1022 CG2 ILE A 70 14.321 3.407 2.369 1.00 72.32 C ATOM 1023 CD1 ILE A 70 11.995 3.088 -0.601 1.00 52.22 C ATOM 0 H ILE A 70 11.212 1.561 2.488 1.00 21.44 H new ATOM 0 HA ILE A 70 12.218 4.031 3.719 1.00 63.51 H new ATOM 0 HB ILE A 70 12.883 4.571 1.286 1.00 54.54 H new ATOM 0 HG12 ILE A 70 13.705 2.173 0.293 1.00 71.41 H new ATOM 0 HG13 ILE A 70 12.178 1.700 1.012 1.00 71.41 H new ATOM 0 HG21 ILE A 70 15.083 3.450 1.591 1.00 72.32 H new ATOM 0 HG22 ILE A 70 14.496 4.203 3.093 1.00 72.32 H new ATOM 0 HG23 ILE A 70 14.371 2.442 2.873 1.00 72.32 H new ATOM 0 HD11 ILE A 70 11.890 2.297 -1.344 1.00 52.22 H new ATOM 0 HD12 ILE A 70 11.007 3.437 -0.300 1.00 52.22 H new ATOM 0 HD13 ILE A 70 12.558 3.917 -1.030 1.00 52.22 H new ATOM 1035 N THR A 71 10.559 5.546 2.669 1.00 4.42 N ATOM 1036 CA THR A 71 9.591 6.464 2.102 1.00 33.00 C ATOM 1037 C THR A 71 10.310 7.409 1.152 1.00 60.23 C ATOM 1038 O THR A 71 9.695 8.003 0.273 1.00 53.01 O ATOM 1039 CB THR A 71 8.854 7.268 3.186 1.00 53.23 C ATOM 1040 OG1 THR A 71 9.769 7.662 4.214 1.00 32.21 O ATOM 1041 CG2 THR A 71 7.729 6.454 3.792 1.00 3.25 C ATOM 0 H THR A 71 11.218 5.984 3.313 1.00 4.42 H new ATOM 0 HA THR A 71 8.840 5.884 1.567 1.00 33.00 H new ATOM 0 HB THR A 71 8.429 8.156 2.719 1.00 53.23 H new ATOM 0 HG1 THR A 71 9.291 8.175 4.899 1.00 32.21 H new ATOM 0 HG21 THR A 71 7.223 7.045 4.556 1.00 3.25 H new ATOM 0 HG22 THR A 71 7.017 6.181 3.013 1.00 3.25 H new ATOM 0 HG23 THR A 71 8.137 5.550 4.243 1.00 3.25 H new ATOM 1049 N GLU A 72 11.630 7.515 1.351 1.00 70.45 N ATOM 1050 CA GLU A 72 12.517 8.265 0.479 1.00 41.31 C ATOM 1051 C GLU A 72 13.942 7.748 0.665 1.00 22.03 C ATOM 1052 O GLU A 72 14.388 7.501 1.789 1.00 63.32 O ATOM 1053 CB GLU A 72 12.445 9.772 0.752 1.00 64.03 C ATOM 1054 CG GLU A 72 13.192 10.623 -0.285 1.00 13.13 C ATOM 1055 CD GLU A 72 12.982 12.108 -0.099 1.00 53.34 C ATOM 1056 OE1 GLU A 72 13.642 12.699 0.772 1.00 14.44 O ATOM 1057 OE2 GLU A 72 12.156 12.691 -0.824 1.00 41.33 O ATOM 0 H GLU A 72 12.110 7.073 2.135 1.00 70.45 H new ATOM 0 HA GLU A 72 12.201 8.118 -0.554 1.00 41.31 H new ATOM 0 HB2 GLU A 72 11.399 10.079 0.775 1.00 64.03 H new ATOM 0 HB3 GLU A 72 12.858 9.974 1.740 1.00 64.03 H new ATOM 0 HG2 GLU A 72 14.258 10.403 -0.226 1.00 13.13 H new ATOM 0 HG3 GLU A 72 12.863 10.338 -1.284 1.00 13.13 H new ATOM 1064 N GLY A 73 14.628 7.576 -0.442 1.00 75.10 N ATOM 1065 CA GLY A 73 15.973 7.050 -0.438 1.00 32.45 C ATOM 1066 C GLY A 73 16.417 6.796 -1.847 1.00 32.24 C ATOM 1067 O GLY A 73 15.712 7.193 -2.774 1.00 10.34 O ATOM 0 H GLY A 73 14.269 7.797 -1.371 1.00 75.10 H new ATOM 0 HA2 GLY A 73 16.649 7.755 0.046 1.00 32.45 H new ATOM 0 HA3 GLY A 73 16.011 6.126 0.138 1.00 32.45 H new ATOM 1071 N PHE A 74 17.561 6.140 -2.028 1.00 34.23 N ATOM 1072 CA PHE A 74 18.012 5.762 -3.371 1.00 74.44 C ATOM 1073 C PHE A 74 17.136 4.611 -3.868 1.00 42.53 C ATOM 1074 O PHE A 74 16.660 3.831 -3.040 1.00 21.22 O ATOM 1075 CB PHE A 74 19.513 5.362 -3.382 1.00 2.44 C ATOM 1076 CG PHE A 74 19.862 4.083 -2.641 1.00 62.12 C ATOM 1077 CD1 PHE A 74 20.076 4.088 -1.272 1.00 55.44 C ATOM 1078 CD2 PHE A 74 19.980 2.876 -3.323 1.00 13.34 C ATOM 1079 CE1 PHE A 74 20.392 2.926 -0.600 1.00 51.11 C ATOM 1080 CE2 PHE A 74 20.296 1.710 -2.653 1.00 44.25 C ATOM 1081 CZ PHE A 74 20.502 1.735 -1.290 1.00 21.52 C ATOM 0 H PHE A 74 18.188 5.861 -1.274 1.00 34.23 H new ATOM 0 HA PHE A 74 17.914 6.620 -4.037 1.00 74.44 H new ATOM 0 HB2 PHE A 74 19.834 5.258 -4.418 1.00 2.44 H new ATOM 0 HB3 PHE A 74 20.090 6.179 -2.950 1.00 2.44 H new ATOM 0 HD1 PHE A 74 19.994 5.015 -0.724 1.00 55.44 H new ATOM 0 HD2 PHE A 74 19.822 2.850 -4.391 1.00 13.34 H new ATOM 0 HE1 PHE A 74 20.554 2.948 0.468 1.00 51.11 H new ATOM 0 HE2 PHE A 74 20.382 0.780 -3.196 1.00 44.25 H new ATOM 0 HZ PHE A 74 20.749 0.825 -0.763 1.00 21.52 H new ATOM 1091 N ALA A 75 16.861 4.590 -5.186 1.00 5.10 N ATOM 1092 CA ALA A 75 16.106 3.507 -5.853 1.00 43.11 C ATOM 1093 C ALA A 75 16.625 2.113 -5.480 1.00 42.44 C ATOM 1094 O ALA A 75 17.717 1.714 -5.897 1.00 21.14 O ATOM 1095 CB ALA A 75 16.141 3.698 -7.367 1.00 11.05 C ATOM 0 H ALA A 75 17.158 5.328 -5.824 1.00 5.10 H new ATOM 0 HA ALA A 75 15.076 3.568 -5.501 1.00 43.11 H new ATOM 0 HB1 ALA A 75 15.582 2.895 -7.848 1.00 11.05 H new ATOM 0 HB2 ALA A 75 15.691 4.657 -7.623 1.00 11.05 H new ATOM 0 HB3 ALA A 75 17.175 3.678 -7.712 1.00 11.05 H new ATOM 1101 N PRO A 76 15.854 1.372 -4.649 1.00 0.12 N ATOM 1102 CA PRO A 76 16.259 0.077 -4.125 1.00 71.43 C ATOM 1103 C PRO A 76 15.851 -1.076 -5.030 1.00 73.13 C ATOM 1104 O PRO A 76 15.000 -0.931 -5.905 1.00 63.30 O ATOM 1105 CB PRO A 76 15.509 -0.006 -2.782 1.00 1.34 C ATOM 1106 CG PRO A 76 14.627 1.206 -2.718 1.00 73.13 C ATOM 1107 CD PRO A 76 14.536 1.737 -4.119 1.00 42.34 C ATOM 0 HA PRO A 76 17.342 -0.005 -4.038 1.00 71.43 H new ATOM 0 HB2 PRO A 76 14.919 -0.920 -2.722 1.00 1.34 H new ATOM 0 HB3 PRO A 76 16.208 -0.023 -1.946 1.00 1.34 H new ATOM 0 HG2 PRO A 76 13.640 0.948 -2.335 1.00 73.13 H new ATOM 0 HG3 PRO A 76 15.044 1.955 -2.045 1.00 73.13 H new ATOM 0 HD2 PRO A 76 13.724 1.276 -4.682 1.00 42.34 H new ATOM 0 HD3 PRO A 76 14.368 2.814 -4.141 1.00 42.34 H new ATOM 1115 N LEU A 77 16.436 -2.231 -4.789 1.00 65.23 N ATOM 1116 CA LEU A 77 16.144 -3.402 -5.587 1.00 2.42 C ATOM 1117 C LEU A 77 14.904 -4.099 -5.024 1.00 65.24 C ATOM 1118 O LEU A 77 13.866 -4.110 -5.665 1.00 61.32 O ATOM 1119 CB LEU A 77 17.370 -4.347 -5.721 1.00 64.54 C ATOM 1120 CG LEU A 77 18.182 -4.676 -4.446 1.00 14.31 C ATOM 1121 CD1 LEU A 77 18.864 -6.018 -4.602 1.00 51.32 C ATOM 1122 CD2 LEU A 77 19.245 -3.615 -4.168 1.00 50.13 C ATOM 0 H LEU A 77 17.117 -2.383 -4.046 1.00 65.23 H new ATOM 0 HA LEU A 77 15.923 -3.090 -6.608 1.00 2.42 H new ATOM 0 HB2 LEU A 77 17.020 -5.288 -6.145 1.00 64.54 H new ATOM 0 HB3 LEU A 77 18.053 -3.905 -6.446 1.00 64.54 H new ATOM 0 HG LEU A 77 17.484 -4.699 -3.609 1.00 14.31 H new ATOM 0 HD11 LEU A 77 19.434 -6.243 -3.701 1.00 51.32 H new ATOM 0 HD12 LEU A 77 18.113 -6.792 -4.759 1.00 51.32 H new ATOM 0 HD13 LEU A 77 19.537 -5.987 -5.459 1.00 51.32 H new ATOM 0 HD21 LEU A 77 19.795 -3.879 -3.265 1.00 50.13 H new ATOM 0 HD22 LEU A 77 19.934 -3.561 -5.011 1.00 50.13 H new ATOM 0 HD23 LEU A 77 18.765 -2.646 -4.030 1.00 50.13 H new ATOM 1134 N SER A 78 14.979 -4.607 -3.801 1.00 20.32 N ATOM 1135 CA SER A 78 13.815 -5.197 -3.163 1.00 71.43 C ATOM 1136 C SER A 78 13.349 -4.307 -2.013 1.00 53.52 C ATOM 1137 O SER A 78 13.957 -4.279 -0.935 1.00 53.44 O ATOM 1138 CB SER A 78 14.124 -6.613 -2.674 1.00 22.22 C ATOM 1139 OG SER A 78 12.949 -7.272 -2.239 1.00 42.24 O ATOM 0 H SER A 78 15.828 -4.622 -3.236 1.00 20.32 H new ATOM 0 HA SER A 78 13.010 -5.270 -3.894 1.00 71.43 H new ATOM 0 HB2 SER A 78 14.589 -7.185 -3.477 1.00 22.22 H new ATOM 0 HB3 SER A 78 14.844 -6.569 -1.856 1.00 22.22 H new ATOM 0 HG SER A 78 13.175 -8.175 -1.933 1.00 42.24 H new ATOM 1145 N VAL A 79 12.291 -3.542 -2.279 1.00 73.50 N ATOM 1146 CA VAL A 79 11.690 -2.642 -1.287 1.00 41.44 C ATOM 1147 C VAL A 79 10.862 -3.439 -0.287 1.00 45.21 C ATOM 1148 O VAL A 79 9.939 -4.158 -0.666 1.00 10.43 O ATOM 1149 CB VAL A 79 10.806 -1.550 -1.963 1.00 24.14 C ATOM 1150 CG1 VAL A 79 10.152 -0.614 -0.944 1.00 72.32 C ATOM 1151 CG2 VAL A 79 11.634 -0.740 -2.940 1.00 62.05 C ATOM 0 H VAL A 79 11.825 -3.526 -3.186 1.00 73.50 H new ATOM 0 HA VAL A 79 12.502 -2.137 -0.763 1.00 41.44 H new ATOM 0 HB VAL A 79 10.007 -2.069 -2.492 1.00 24.14 H new ATOM 0 HG11 VAL A 79 9.548 0.128 -1.467 1.00 72.32 H new ATOM 0 HG12 VAL A 79 9.517 -1.193 -0.274 1.00 72.32 H new ATOM 0 HG13 VAL A 79 10.925 -0.109 -0.365 1.00 72.32 H new ATOM 0 HG21 VAL A 79 11.007 0.020 -3.406 1.00 62.05 H new ATOM 0 HG22 VAL A 79 12.454 -0.257 -2.409 1.00 62.05 H new ATOM 0 HG23 VAL A 79 12.038 -1.399 -3.709 1.00 62.05 H new ATOM 1161 N ARG A 80 11.207 -3.300 0.988 1.00 21.31 N ATOM 1162 CA ARG A 80 10.544 -4.040 2.057 1.00 3.22 C ATOM 1163 C ARG A 80 9.176 -3.433 2.339 1.00 23.12 C ATOM 1164 O ARG A 80 9.074 -2.314 2.844 1.00 74.13 O ATOM 1165 CB ARG A 80 11.400 -4.031 3.332 1.00 74.22 C ATOM 1166 CG ARG A 80 12.866 -4.386 3.108 1.00 13.35 C ATOM 1167 CD ARG A 80 13.031 -5.783 2.542 1.00 1.22 C ATOM 1168 NE ARG A 80 14.409 -6.072 2.177 1.00 22.31 N ATOM 1169 CZ ARG A 80 14.936 -7.298 2.138 1.00 42.22 C ATOM 1170 NH1 ARG A 80 14.212 -8.356 2.504 1.00 33.02 N ATOM 1171 NH2 ARG A 80 16.188 -7.462 1.744 1.00 3.44 N ATOM 0 H ARG A 80 11.948 -2.677 1.309 1.00 21.31 H new ATOM 0 HA ARG A 80 10.415 -5.074 1.736 1.00 3.22 H new ATOM 0 HB2 ARG A 80 11.343 -3.042 3.786 1.00 74.22 H new ATOM 0 HB3 ARG A 80 10.973 -4.735 4.047 1.00 74.22 H new ATOM 0 HG2 ARG A 80 13.314 -3.663 2.426 1.00 13.35 H new ATOM 0 HG3 ARG A 80 13.406 -4.311 4.052 1.00 13.35 H new ATOM 0 HD2 ARG A 80 12.692 -6.513 3.277 1.00 1.22 H new ATOM 0 HD3 ARG A 80 12.394 -5.895 1.665 1.00 1.22 H new ATOM 0 HE ARG A 80 15.012 -5.286 1.935 1.00 22.31 H new ATOM 0 HH11 ARG A 80 13.249 -8.232 2.816 1.00 33.02 H new ATOM 0 HH12 ARG A 80 14.621 -9.290 2.472 1.00 33.02 H new ATOM 0 HH21 ARG A 80 16.747 -6.653 1.471 1.00 3.44 H new ATOM 0 HH22 ARG A 80 16.595 -8.397 1.713 1.00 3.44 H new ATOM 1185 N PHE A 81 8.137 -4.164 1.968 1.00 4.35 N ATOM 1186 CA PHE A 81 6.776 -3.690 2.129 1.00 13.02 C ATOM 1187 C PHE A 81 5.887 -4.830 2.604 1.00 74.41 C ATOM 1188 O PHE A 81 5.809 -5.882 1.965 1.00 53.35 O ATOM 1189 CB PHE A 81 6.251 -3.104 0.809 1.00 14.21 C ATOM 1190 CG PHE A 81 4.960 -2.351 0.956 1.00 35.31 C ATOM 1191 CD1 PHE A 81 4.960 -1.039 1.401 1.00 75.21 C ATOM 1192 CD2 PHE A 81 3.749 -2.949 0.649 1.00 2.35 C ATOM 1193 CE1 PHE A 81 3.780 -0.342 1.536 1.00 3.42 C ATOM 1194 CE2 PHE A 81 2.570 -2.256 0.787 1.00 14.11 C ATOM 1195 CZ PHE A 81 2.585 -0.953 1.229 1.00 31.31 C ATOM 0 H PHE A 81 8.213 -5.092 1.552 1.00 4.35 H new ATOM 0 HA PHE A 81 6.762 -2.899 2.878 1.00 13.02 H new ATOM 0 HB2 PHE A 81 7.005 -2.437 0.392 1.00 14.21 H new ATOM 0 HB3 PHE A 81 6.110 -3.913 0.093 1.00 14.21 H new ATOM 0 HD1 PHE A 81 5.896 -0.558 1.645 1.00 75.21 H new ATOM 0 HD2 PHE A 81 3.731 -3.970 0.298 1.00 2.35 H new ATOM 0 HE1 PHE A 81 3.792 0.681 1.882 1.00 3.42 H new ATOM 0 HE2 PHE A 81 1.632 -2.734 0.548 1.00 14.11 H new ATOM 0 HZ PHE A 81 1.658 -0.409 1.335 1.00 31.31 H new ATOM 1205 N LYS A 82 5.215 -4.607 3.720 1.00 10.11 N ATOM 1206 CA LYS A 82 4.347 -5.608 4.308 1.00 61.20 C ATOM 1207 C LYS A 82 3.012 -4.949 4.666 1.00 35.44 C ATOM 1208 O LYS A 82 2.989 -3.822 5.171 1.00 72.04 O ATOM 1209 CB LYS A 82 5.051 -6.224 5.540 1.00 42.14 C ATOM 1210 CG LYS A 82 4.516 -7.585 5.975 1.00 53.20 C ATOM 1211 CD LYS A 82 3.424 -7.470 7.029 1.00 24.53 C ATOM 1212 CE LYS A 82 2.682 -8.784 7.216 1.00 71.15 C ATOM 1213 NZ LYS A 82 1.936 -9.180 5.988 1.00 71.22 N ATOM 0 H LYS A 82 5.256 -3.731 4.241 1.00 10.11 H new ATOM 0 HA LYS A 82 4.143 -6.418 3.608 1.00 61.20 H new ATOM 0 HB2 LYS A 82 6.114 -6.322 5.321 1.00 42.14 H new ATOM 0 HB3 LYS A 82 4.960 -5.531 6.376 1.00 42.14 H new ATOM 0 HG2 LYS A 82 4.124 -8.113 5.106 1.00 53.20 H new ATOM 0 HG3 LYS A 82 5.336 -8.185 6.369 1.00 53.20 H new ATOM 0 HD2 LYS A 82 3.865 -7.163 7.977 1.00 24.53 H new ATOM 0 HD3 LYS A 82 2.718 -6.692 6.738 1.00 24.53 H new ATOM 0 HE2 LYS A 82 3.392 -9.568 7.478 1.00 71.15 H new ATOM 0 HE3 LYS A 82 1.986 -8.693 8.050 1.00 71.15 H new ATOM 0 HZ1 LYS A 82 1.194 -9.864 6.238 1.00 71.22 H new ATOM 0 HZ2 LYS A 82 1.501 -8.338 5.560 1.00 71.22 H new ATOM 0 HZ3 LYS A 82 2.592 -9.614 5.308 1.00 71.22 H new ATOM 1227 N ASP A 83 1.903 -5.644 4.406 1.00 32.20 N ATOM 1228 CA ASP A 83 0.578 -5.096 4.672 1.00 73.55 C ATOM 1229 C ASP A 83 0.207 -5.324 6.136 1.00 23.51 C ATOM 1230 O ASP A 83 0.373 -6.415 6.687 1.00 13.02 O ATOM 1231 CB ASP A 83 -0.478 -5.672 3.703 1.00 52.52 C ATOM 1232 CG ASP A 83 -0.964 -7.074 4.020 1.00 32.35 C ATOM 1233 OD1 ASP A 83 -0.171 -8.032 3.908 1.00 20.53 O ATOM 1234 OD2 ASP A 83 -2.153 -7.212 4.381 1.00 13.11 O ATOM 0 H ASP A 83 1.899 -6.585 4.012 1.00 32.20 H new ATOM 0 HA ASP A 83 0.600 -4.021 4.494 1.00 73.55 H new ATOM 0 HB2 ASP A 83 -1.338 -5.003 3.692 1.00 52.52 H new ATOM 0 HB3 ASP A 83 -0.060 -5.671 2.696 1.00 52.52 H new ATOM 1239 N PHE A 84 -0.268 -4.274 6.770 1.00 15.24 N ATOM 1240 CA PHE A 84 -0.516 -4.291 8.204 1.00 71.22 C ATOM 1241 C PHE A 84 -2.002 -4.020 8.470 1.00 4.04 C ATOM 1242 O PHE A 84 -2.400 -3.659 9.574 1.00 11.04 O ATOM 1243 CB PHE A 84 0.400 -3.235 8.859 1.00 3.53 C ATOM 1244 CG PHE A 84 0.694 -3.459 10.314 1.00 24.14 C ATOM 1245 CD1 PHE A 84 1.552 -4.473 10.708 1.00 51.34 C ATOM 1246 CD2 PHE A 84 0.123 -2.654 11.285 1.00 14.45 C ATOM 1247 CE1 PHE A 84 1.832 -4.681 12.043 1.00 54.05 C ATOM 1248 CE2 PHE A 84 0.397 -2.858 12.622 1.00 4.43 C ATOM 1249 CZ PHE A 84 1.253 -3.873 13.002 1.00 25.33 C ATOM 0 H PHE A 84 -0.493 -3.389 6.315 1.00 15.24 H new ATOM 0 HA PHE A 84 -0.287 -5.265 8.637 1.00 71.22 H new ATOM 0 HB2 PHE A 84 1.344 -3.207 8.314 1.00 3.53 H new ATOM 0 HB3 PHE A 84 -0.063 -2.255 8.745 1.00 3.53 H new ATOM 0 HD1 PHE A 84 2.007 -5.108 9.962 1.00 51.34 H new ATOM 0 HD2 PHE A 84 -0.545 -1.857 10.993 1.00 14.45 H new ATOM 0 HE1 PHE A 84 2.503 -5.474 12.338 1.00 54.05 H new ATOM 0 HE2 PHE A 84 -0.057 -2.225 13.370 1.00 4.43 H new ATOM 0 HZ PHE A 84 1.469 -4.035 14.048 1.00 25.33 H new ATOM 1259 N SER A 85 -2.808 -4.210 7.422 1.00 33.44 N ATOM 1260 CA SER A 85 -4.240 -3.924 7.453 1.00 0.13 C ATOM 1261 C SER A 85 -5.013 -4.838 8.400 1.00 13.11 C ATOM 1262 O SER A 85 -4.983 -6.067 8.288 1.00 41.45 O ATOM 1263 CB SER A 85 -4.807 -4.020 6.046 1.00 3.02 C ATOM 1264 OG SER A 85 -4.180 -3.078 5.194 1.00 22.22 O ATOM 0 H SER A 85 -2.481 -4.569 6.525 1.00 33.44 H new ATOM 0 HA SER A 85 -4.359 -2.911 7.838 1.00 0.13 H new ATOM 0 HB2 SER A 85 -4.659 -5.027 5.656 1.00 3.02 H new ATOM 0 HB3 SER A 85 -5.882 -3.841 6.068 1.00 3.02 H new ATOM 0 HG SER A 85 -3.423 -2.667 5.661 1.00 22.22 H new ATOM 1270 N GLU A 86 -5.699 -4.204 9.340 1.00 13.42 N ATOM 1271 CA GLU A 86 -6.420 -4.899 10.400 1.00 50.13 C ATOM 1272 C GLU A 86 -7.897 -4.578 10.301 1.00 71.21 C ATOM 1273 O GLU A 86 -8.281 -3.677 9.542 1.00 61.44 O ATOM 1274 CB GLU A 86 -5.919 -4.461 11.775 1.00 60.23 C ATOM 1275 CG GLU A 86 -4.417 -4.513 11.922 1.00 43.13 C ATOM 1276 CD GLU A 86 -3.917 -4.047 13.262 1.00 1.44 C ATOM 1277 OE1 GLU A 86 -4.247 -4.682 14.284 1.00 55.31 O ATOM 1278 OE2 GLU A 86 -3.175 -3.050 13.297 1.00 42.22 O ATOM 0 H GLU A 86 -5.772 -3.188 9.390 1.00 13.42 H new ATOM 0 HA GLU A 86 -6.252 -5.970 10.282 1.00 50.13 H new ATOM 0 HB2 GLU A 86 -6.258 -3.443 11.968 1.00 60.23 H new ATOM 0 HB3 GLU A 86 -6.371 -5.097 12.536 1.00 60.23 H new ATOM 0 HG2 GLU A 86 -4.081 -5.537 11.756 1.00 43.13 H new ATOM 0 HG3 GLU A 86 -3.964 -3.899 11.143 1.00 43.13 H new ATOM 1285 N ASN A 87 -8.709 -5.335 11.069 1.00 20.51 N ATOM 1286 CA ASN A 87 -10.167 -5.116 11.216 1.00 21.23 C ATOM 1287 C ASN A 87 -10.887 -5.225 9.865 1.00 24.04 C ATOM 1288 O ASN A 87 -11.936 -4.630 9.654 1.00 44.45 O ATOM 1289 CB ASN A 87 -10.413 -3.742 11.864 1.00 52.13 C ATOM 1290 CG ASN A 87 -9.791 -3.622 13.251 1.00 71.23 C ATOM 1291 OD1 ASN A 87 -9.909 -4.521 14.085 1.00 63.52 O ATOM 1292 ND2 ASN A 87 -9.055 -2.541 13.473 1.00 53.34 N ATOM 0 H ASN A 87 -8.367 -6.127 11.613 1.00 20.51 H new ATOM 0 HA ASN A 87 -10.577 -5.894 11.860 1.00 21.23 H new ATOM 0 HB2 ASN A 87 -10.005 -2.963 11.219 1.00 52.13 H new ATOM 0 HB3 ASN A 87 -11.486 -3.566 11.936 1.00 52.13 H new ATOM 0 HD21 ASN A 87 -8.562 -2.433 14.359 1.00 53.34 H new ATOM 0 HD22 ASN A 87 -8.982 -1.818 12.757 1.00 53.34 H new ATOM 1299 N ALA A 88 -10.321 -6.030 8.971 1.00 15.13 N ATOM 1300 CA ALA A 88 -10.713 -6.021 7.580 1.00 32.14 C ATOM 1301 C ALA A 88 -11.439 -7.294 7.207 1.00 31.43 C ATOM 1302 O ALA A 88 -11.110 -8.379 7.688 1.00 73.14 O ATOM 1303 CB ALA A 88 -9.488 -5.827 6.701 1.00 60.03 C ATOM 0 H ALA A 88 -9.584 -6.699 9.195 1.00 15.13 H new ATOM 0 HA ALA A 88 -11.401 -5.191 7.421 1.00 32.14 H new ATOM 0 HB1 ALA A 88 -9.789 -5.821 5.653 1.00 60.03 H new ATOM 0 HB2 ALA A 88 -9.010 -4.879 6.947 1.00 60.03 H new ATOM 0 HB3 ALA A 88 -8.785 -6.642 6.872 1.00 60.03 H new ATOM 1309 N THR A 89 -12.442 -7.134 6.366 1.00 50.33 N ATOM 1310 CA THR A 89 -13.183 -8.240 5.800 1.00 50.14 C ATOM 1311 C THR A 89 -12.448 -8.778 4.563 1.00 54.22 C ATOM 1312 O THR A 89 -12.384 -9.988 4.342 1.00 21.35 O ATOM 1313 CB THR A 89 -14.611 -7.763 5.445 1.00 73.14 C ATOM 1314 OG1 THR A 89 -15.212 -7.181 6.610 1.00 14.33 O ATOM 1315 CG2 THR A 89 -15.495 -8.895 4.950 1.00 52.12 C ATOM 0 H THR A 89 -12.768 -6.219 6.054 1.00 50.33 H new ATOM 0 HA THR A 89 -13.259 -9.052 6.523 1.00 50.14 H new ATOM 0 HB THR A 89 -14.524 -7.034 4.639 1.00 73.14 H new ATOM 0 HG1 THR A 89 -16.164 -7.021 6.441 1.00 14.33 H new ATOM 0 HG21 THR A 89 -16.486 -8.507 4.715 1.00 52.12 H new ATOM 0 HG22 THR A 89 -15.056 -9.335 4.055 1.00 52.12 H new ATOM 0 HG23 THR A 89 -15.579 -9.657 5.725 1.00 52.12 H new ATOM 1323 N SER A 90 -11.865 -7.865 3.784 1.00 1.41 N ATOM 1324 CA SER A 90 -11.084 -8.229 2.611 1.00 34.31 C ATOM 1325 C SER A 90 -10.039 -7.150 2.330 1.00 73.44 C ATOM 1326 O SER A 90 -10.216 -5.996 2.720 1.00 31.20 O ATOM 1327 CB SER A 90 -12.014 -8.392 1.399 1.00 11.22 C ATOM 1328 OG SER A 90 -11.349 -8.975 0.289 1.00 3.45 O ATOM 0 H SER A 90 -11.923 -6.860 3.951 1.00 1.41 H new ATOM 0 HA SER A 90 -10.574 -9.175 2.797 1.00 34.31 H new ATOM 0 HB2 SER A 90 -12.866 -9.013 1.677 1.00 11.22 H new ATOM 0 HB3 SER A 90 -12.410 -7.417 1.113 1.00 11.22 H new ATOM 0 HG SER A 90 -11.976 -9.062 -0.459 1.00 3.45 H new ATOM 1334 N ARG A 91 -8.951 -7.540 1.672 1.00 43.50 N ATOM 1335 CA ARG A 91 -7.948 -6.591 1.197 1.00 72.33 C ATOM 1336 C ARG A 91 -8.084 -6.423 -0.316 1.00 64.02 C ATOM 1337 O ARG A 91 -8.546 -7.335 -1.008 1.00 63.13 O ATOM 1338 CB ARG A 91 -6.514 -7.039 1.559 1.00 15.45 C ATOM 1339 CG ARG A 91 -6.125 -8.392 0.981 1.00 73.53 C ATOM 1340 CD ARG A 91 -4.621 -8.603 0.940 1.00 12.34 C ATOM 1341 NE ARG A 91 -4.004 -8.811 2.257 1.00 13.20 N ATOM 1342 CZ ARG A 91 -3.594 -10.004 2.716 1.00 11.14 C ATOM 1343 NH1 ARG A 91 -3.896 -11.127 2.063 1.00 53.40 N ATOM 1344 NH2 ARG A 91 -2.895 -10.076 3.844 1.00 63.13 N ATOM 0 H ARG A 91 -8.740 -8.514 1.454 1.00 43.50 H new ATOM 0 HA ARG A 91 -8.123 -5.636 1.692 1.00 72.33 H new ATOM 0 HB2 ARG A 91 -5.809 -6.287 1.204 1.00 15.45 H new ATOM 0 HB3 ARG A 91 -6.419 -7.078 2.644 1.00 15.45 H new ATOM 0 HG2 ARG A 91 -6.582 -9.182 1.577 1.00 73.53 H new ATOM 0 HG3 ARG A 91 -6.528 -8.480 -0.028 1.00 73.53 H new ATOM 0 HD2 ARG A 91 -4.404 -9.465 0.310 1.00 12.34 H new ATOM 0 HD3 ARG A 91 -4.157 -7.737 0.467 1.00 12.34 H new ATOM 0 HE ARG A 91 -3.879 -7.998 2.860 1.00 13.20 H new ATOM 0 HH11 ARG A 91 -4.445 -11.086 1.204 1.00 53.40 H new ATOM 0 HH12 ARG A 91 -3.578 -12.027 2.422 1.00 53.40 H new ATOM 0 HH21 ARG A 91 -2.671 -9.225 4.360 1.00 63.13 H new ATOM 0 HH22 ARG A 91 -2.583 -10.982 4.194 1.00 63.13 H new ATOM 1358 N LEU A 92 -7.703 -5.262 -0.825 1.00 61.31 N ATOM 1359 CA LEU A 92 -7.766 -4.992 -2.249 1.00 34.22 C ATOM 1360 C LEU A 92 -6.460 -4.345 -2.702 1.00 71.03 C ATOM 1361 O LEU A 92 -6.112 -3.241 -2.270 1.00 64.51 O ATOM 1362 CB LEU A 92 -8.997 -4.105 -2.553 1.00 41.32 C ATOM 1363 CG LEU A 92 -9.474 -4.032 -4.018 1.00 4.31 C ATOM 1364 CD1 LEU A 92 -10.943 -3.664 -4.061 1.00 44.43 C ATOM 1365 CD2 LEU A 92 -8.690 -3.006 -4.819 1.00 11.50 C ATOM 0 H LEU A 92 -7.345 -4.487 -0.266 1.00 61.31 H new ATOM 0 HA LEU A 92 -7.885 -5.920 -2.808 1.00 34.22 H new ATOM 0 HB2 LEU A 92 -9.828 -4.463 -1.945 1.00 41.32 H new ATOM 0 HB3 LEU A 92 -8.772 -3.091 -2.221 1.00 41.32 H new ATOM 0 HG LEU A 92 -9.311 -5.014 -4.463 1.00 4.31 H new ATOM 0 HD11 LEU A 92 -11.275 -3.614 -5.098 1.00 44.43 H new ATOM 0 HD12 LEU A 92 -11.523 -4.419 -3.530 1.00 44.43 H new ATOM 0 HD13 LEU A 92 -11.089 -2.694 -3.586 1.00 44.43 H new ATOM 0 HD21 LEU A 92 -9.058 -2.987 -5.845 1.00 11.50 H new ATOM 0 HD22 LEU A 92 -8.816 -2.021 -4.370 1.00 11.50 H new ATOM 0 HD23 LEU A 92 -7.633 -3.273 -4.817 1.00 11.50 H new ATOM 1377 N TRP A 93 -5.729 -5.054 -3.556 1.00 21.43 N ATOM 1378 CA TRP A 93 -4.501 -4.523 -4.136 1.00 40.51 C ATOM 1379 C TRP A 93 -4.754 -3.934 -5.512 1.00 33.44 C ATOM 1380 O TRP A 93 -5.073 -4.653 -6.457 1.00 64.41 O ATOM 1381 CB TRP A 93 -3.433 -5.617 -4.234 1.00 73.44 C ATOM 1382 CG TRP A 93 -2.795 -5.944 -2.921 1.00 35.54 C ATOM 1383 CD1 TRP A 93 -2.915 -7.100 -2.208 1.00 22.15 C ATOM 1384 CD2 TRP A 93 -1.935 -5.089 -2.159 1.00 13.10 C ATOM 1385 NE1 TRP A 93 -2.169 -7.020 -1.055 1.00 14.22 N ATOM 1386 CE2 TRP A 93 -1.563 -5.793 -1.002 1.00 1.23 C ATOM 1387 CE3 TRP A 93 -1.439 -3.793 -2.351 1.00 32.14 C ATOM 1388 CZ2 TRP A 93 -0.721 -5.246 -0.043 1.00 31.22 C ATOM 1389 CZ3 TRP A 93 -0.609 -3.253 -1.397 1.00 43.21 C ATOM 1390 CH2 TRP A 93 -0.255 -3.979 -0.256 1.00 21.31 C ATOM 0 H TRP A 93 -5.966 -5.998 -3.862 1.00 21.43 H new ATOM 0 HA TRP A 93 -4.143 -3.731 -3.479 1.00 40.51 H new ATOM 0 HB2 TRP A 93 -3.885 -6.520 -4.645 1.00 73.44 H new ATOM 0 HB3 TRP A 93 -2.661 -5.299 -4.935 1.00 73.44 H new ATOM 0 HD1 TRP A 93 -3.508 -7.952 -2.505 1.00 22.15 H new ATOM 0 HE1 TRP A 93 -2.081 -7.755 -0.353 1.00 14.22 H new ATOM 0 HE3 TRP A 93 -1.704 -3.228 -3.233 1.00 32.14 H new ATOM 0 HZ2 TRP A 93 -0.444 -5.802 0.840 1.00 31.22 H new ATOM 0 HZ3 TRP A 93 -0.225 -2.253 -1.531 1.00 43.21 H new ATOM 0 HH2 TRP A 93 0.402 -3.528 0.474 1.00 21.31 H new ATOM 1401 N MET A 94 -4.608 -2.623 -5.627 1.00 13.54 N ATOM 1402 CA MET A 94 -4.819 -1.948 -6.898 1.00 1.11 C ATOM 1403 C MET A 94 -3.535 -1.311 -7.420 1.00 43.33 C ATOM 1404 O MET A 94 -3.095 -0.251 -6.959 1.00 13.21 O ATOM 1405 CB MET A 94 -5.972 -0.925 -6.812 1.00 61.23 C ATOM 1406 CG MET A 94 -5.954 -0.015 -5.590 1.00 51.04 C ATOM 1407 SD MET A 94 -7.337 1.146 -5.566 1.00 13.42 S ATOM 1408 CE MET A 94 -7.067 2.035 -7.101 1.00 45.00 C ATOM 0 H MET A 94 -4.345 -2.007 -4.858 1.00 13.54 H new ATOM 0 HA MET A 94 -5.115 -2.707 -7.622 1.00 1.11 H new ATOM 0 HB2 MET A 94 -5.949 -0.303 -7.707 1.00 61.23 H new ATOM 0 HB3 MET A 94 -6.917 -1.468 -6.825 1.00 61.23 H new ATOM 0 HG2 MET A 94 -5.981 -0.625 -4.687 1.00 51.04 H new ATOM 0 HG3 MET A 94 -5.017 0.542 -5.570 1.00 51.04 H new ATOM 0 HE1 MET A 94 -7.580 2.996 -7.060 1.00 45.00 H new ATOM 0 HE2 MET A 94 -5.999 2.200 -7.243 1.00 45.00 H new ATOM 0 HE3 MET A 94 -7.458 1.450 -7.934 1.00 45.00 H new ATOM 1418 N PHE A 95 -2.907 -2.015 -8.359 1.00 61.12 N ATOM 1419 CA PHE A 95 -1.750 -1.495 -9.085 1.00 64.34 C ATOM 1420 C PHE A 95 -2.219 -0.735 -10.323 1.00 44.24 C ATOM 1421 O PHE A 95 -1.608 0.252 -10.728 1.00 53.11 O ATOM 1422 CB PHE A 95 -0.810 -2.641 -9.492 1.00 61.14 C ATOM 1423 CG PHE A 95 -0.283 -3.445 -8.332 1.00 2.32 C ATOM 1424 CD1 PHE A 95 0.817 -3.004 -7.610 1.00 5.51 C ATOM 1425 CD2 PHE A 95 -0.892 -4.633 -7.957 1.00 74.44 C ATOM 1426 CE1 PHE A 95 1.299 -3.734 -6.541 1.00 65.53 C ATOM 1427 CE2 PHE A 95 -0.415 -5.364 -6.888 1.00 63.31 C ATOM 1428 CZ PHE A 95 0.680 -4.915 -6.179 1.00 50.13 C ATOM 0 H PHE A 95 -3.183 -2.957 -8.637 1.00 61.12 H new ATOM 0 HA PHE A 95 -1.201 -0.815 -8.433 1.00 64.34 H new ATOM 0 HB2 PHE A 95 -1.341 -3.308 -10.171 1.00 61.14 H new ATOM 0 HB3 PHE A 95 0.032 -2.226 -10.046 1.00 61.14 H new ATOM 0 HD1 PHE A 95 1.302 -2.080 -7.887 1.00 5.51 H new ATOM 0 HD2 PHE A 95 -1.749 -4.990 -8.508 1.00 74.44 H new ATOM 0 HE1 PHE A 95 2.158 -3.382 -5.989 1.00 65.53 H new ATOM 0 HE2 PHE A 95 -0.899 -6.288 -6.606 1.00 63.31 H new ATOM 0 HZ PHE A 95 1.053 -5.486 -5.342 1.00 50.13 H new ATOM 1438 N GLY A 96 -3.317 -1.219 -10.907 1.00 61.14 N ATOM 1439 CA GLY A 96 -3.989 -0.533 -11.996 1.00 70.02 C ATOM 1440 C GLY A 96 -3.882 -1.266 -13.321 1.00 73.11 C ATOM 1441 O GLY A 96 -4.734 -1.093 -14.190 1.00 34.13 O ATOM 0 H GLY A 96 -3.759 -2.097 -10.634 1.00 61.14 H new ATOM 0 HA2 GLY A 96 -5.041 -0.406 -11.742 1.00 70.02 H new ATOM 0 HA3 GLY A 96 -3.565 0.465 -12.105 1.00 70.02 H new ATOM 1445 N ASP A 97 -2.844 -2.084 -13.477 1.00 53.31 N ATOM 1446 CA ASP A 97 -2.765 -3.032 -14.582 1.00 61.34 C ATOM 1447 C ASP A 97 -3.360 -4.377 -14.185 1.00 55.14 C ATOM 1448 O ASP A 97 -3.282 -4.786 -13.017 1.00 11.42 O ATOM 1449 CB ASP A 97 -1.307 -3.195 -15.050 1.00 62.52 C ATOM 1450 CG ASP A 97 -0.380 -3.793 -14.000 1.00 62.21 C ATOM 1451 OD1 ASP A 97 -0.009 -3.080 -13.043 1.00 55.24 O ATOM 1452 OD2 ASP A 97 0.000 -4.973 -14.139 1.00 22.54 O ATOM 0 H ASP A 97 -2.042 -2.108 -12.847 1.00 53.31 H new ATOM 0 HA ASP A 97 -3.349 -2.638 -15.414 1.00 61.34 H new ATOM 0 HB2 ASP A 97 -1.290 -3.828 -15.937 1.00 62.52 H new ATOM 0 HB3 ASP A 97 -0.921 -2.220 -15.347 1.00 62.52 H new ATOM 1457 N GLY A 98 -3.967 -5.047 -15.161 1.00 73.50 N ATOM 1458 CA GLY A 98 -4.621 -6.312 -14.909 1.00 12.51 C ATOM 1459 C GLY A 98 -5.927 -6.138 -14.160 1.00 34.45 C ATOM 1460 O GLY A 98 -6.781 -5.343 -14.554 1.00 23.03 O ATOM 0 H GLY A 98 -4.015 -4.730 -16.129 1.00 73.50 H new ATOM 0 HA2 GLY A 98 -4.811 -6.817 -15.856 1.00 12.51 H new ATOM 0 HA3 GLY A 98 -3.956 -6.955 -14.333 1.00 12.51 H new ATOM 1464 N ASN A 99 -6.064 -6.885 -13.078 1.00 21.42 N ATOM 1465 CA ASN A 99 -7.223 -6.751 -12.215 1.00 61.10 C ATOM 1466 C ASN A 99 -6.794 -6.714 -10.755 1.00 30.44 C ATOM 1467 O ASN A 99 -5.703 -7.180 -10.396 1.00 13.04 O ATOM 1468 CB ASN A 99 -8.298 -7.828 -12.494 1.00 10.35 C ATOM 1469 CG ASN A 99 -7.987 -9.216 -11.969 1.00 42.13 C ATOM 1470 OD1 ASN A 99 -8.375 -9.568 -10.860 1.00 44.23 O ATOM 1471 ND2 ASN A 99 -7.342 -10.025 -12.783 1.00 35.55 N ATOM 0 H ASN A 99 -5.389 -7.588 -12.778 1.00 21.42 H new ATOM 0 HA ASN A 99 -7.703 -5.800 -12.444 1.00 61.10 H new ATOM 0 HB2 ASN A 99 -9.240 -7.497 -12.058 1.00 10.35 H new ATOM 0 HB3 ASN A 99 -8.451 -7.892 -13.571 1.00 10.35 H new ATOM 0 HD21 ASN A 99 -7.148 -10.985 -12.499 1.00 35.55 H new ATOM 0 HD22 ASN A 99 -7.037 -9.692 -13.697 1.00 35.55 H new ATOM 1478 N THR A 100 -7.654 -6.134 -9.934 1.00 52.41 N ATOM 1479 CA THR A 100 -7.345 -5.895 -8.534 1.00 14.14 C ATOM 1480 C THR A 100 -7.480 -7.153 -7.677 1.00 21.12 C ATOM 1481 O THR A 100 -8.232 -8.079 -8.014 1.00 51.11 O ATOM 1482 CB THR A 100 -8.239 -4.778 -7.958 1.00 30.14 C ATOM 1483 OG1 THR A 100 -9.625 -5.075 -8.187 1.00 62.02 O ATOM 1484 CG2 THR A 100 -7.896 -3.431 -8.577 1.00 53.34 C ATOM 0 H THR A 100 -8.581 -5.817 -10.217 1.00 52.41 H new ATOM 0 HA THR A 100 -6.301 -5.583 -8.500 1.00 14.14 H new ATOM 0 HB THR A 100 -8.056 -4.726 -6.885 1.00 30.14 H new ATOM 0 HG1 THR A 100 -10.179 -4.358 -7.814 1.00 62.02 H new ATOM 0 HG21 THR A 100 -8.541 -2.661 -8.153 1.00 53.34 H new ATOM 0 HG22 THR A 100 -6.855 -3.188 -8.366 1.00 53.34 H new ATOM 0 HG23 THR A 100 -8.046 -3.477 -9.656 1.00 53.34 H new ATOM 1602 N THR A 109 10.780 -5.271 -7.715 1.00 61.22 N ATOM 1603 CA THR A 109 12.128 -4.846 -8.014 1.00 11.12 C ATOM 1604 C THR A 109 12.073 -3.518 -8.749 1.00 35.35 C ATOM 1605 O THR A 109 11.653 -3.445 -9.909 1.00 74.35 O ATOM 1606 CB THR A 109 12.912 -5.903 -8.834 1.00 50.24 C ATOM 1607 OG1 THR A 109 12.768 -7.196 -8.224 1.00 32.33 O ATOM 1608 CG2 THR A 109 14.395 -5.556 -8.904 1.00 34.13 C ATOM 0 HA THR A 109 12.668 -4.728 -7.075 1.00 11.12 H new ATOM 0 HB THR A 109 12.503 -5.913 -9.845 1.00 50.24 H new ATOM 0 HG1 THR A 109 11.862 -7.288 -7.863 1.00 32.33 H new ATOM 0 HG21 THR A 109 14.919 -6.315 -9.485 1.00 34.13 H new ATOM 0 HG22 THR A 109 14.519 -4.584 -9.381 1.00 34.13 H new ATOM 0 HG23 THR A 109 14.808 -5.521 -7.896 1.00 34.13 H new ATOM 1616 N PHE A 110 12.471 -2.458 -8.055 1.00 34.44 N ATOM 1617 CA PHE A 110 12.389 -1.121 -8.613 1.00 43.33 C ATOM 1618 C PHE A 110 13.745 -0.677 -9.139 1.00 71.33 C ATOM 1619 O PHE A 110 14.440 0.159 -8.555 1.00 3.55 O ATOM 1620 CB PHE A 110 11.809 -0.138 -7.596 1.00 44.41 C ATOM 1621 CG PHE A 110 10.381 -0.452 -7.219 1.00 23.23 C ATOM 1622 CD1 PHE A 110 9.339 -0.178 -8.092 1.00 31.11 C ATOM 1623 CD2 PHE A 110 10.085 -1.020 -5.996 1.00 52.33 C ATOM 1624 CE1 PHE A 110 8.032 -0.466 -7.745 1.00 53.12 C ATOM 1625 CE2 PHE A 110 8.783 -1.309 -5.642 1.00 54.41 C ATOM 1626 CZ PHE A 110 7.755 -1.031 -6.517 1.00 4.34 C ATOM 0 H PHE A 110 12.851 -2.502 -7.110 1.00 34.44 H new ATOM 0 HA PHE A 110 11.704 -1.137 -9.461 1.00 43.33 H new ATOM 0 HB2 PHE A 110 12.426 -0.147 -6.698 1.00 44.41 H new ATOM 0 HB3 PHE A 110 11.857 0.871 -8.006 1.00 44.41 H new ATOM 0 HD1 PHE A 110 9.551 0.265 -9.054 1.00 31.11 H new ATOM 0 HD2 PHE A 110 10.885 -1.242 -5.305 1.00 52.33 H new ATOM 0 HE1 PHE A 110 7.229 -0.249 -8.434 1.00 53.12 H new ATOM 0 HE2 PHE A 110 8.570 -1.752 -4.681 1.00 54.41 H new ATOM 0 HZ PHE A 110 6.735 -1.255 -6.242 1.00 4.34 H new ATOM 1636 N PHE A 111 14.101 -1.274 -10.272 1.00 72.53 N ATOM 1637 CA PHE A 111 15.364 -1.016 -10.961 1.00 2.30 C ATOM 1638 C PHE A 111 15.337 0.310 -11.729 1.00 34.04 C ATOM 1639 O PHE A 111 16.376 0.808 -12.157 1.00 61.25 O ATOM 1640 CB PHE A 111 15.718 -2.192 -11.902 1.00 74.33 C ATOM 1641 CG PHE A 111 14.546 -2.797 -12.649 1.00 44.53 C ATOM 1642 CD1 PHE A 111 13.976 -2.158 -13.738 1.00 34.52 C ATOM 1643 CD2 PHE A 111 14.006 -4.008 -12.241 1.00 12.34 C ATOM 1644 CE1 PHE A 111 12.898 -2.709 -14.401 1.00 15.02 C ATOM 1645 CE2 PHE A 111 12.926 -4.563 -12.899 1.00 44.13 C ATOM 1646 CZ PHE A 111 12.372 -3.911 -13.980 1.00 14.33 C ATOM 0 H PHE A 111 13.513 -1.960 -10.745 1.00 72.53 H new ATOM 0 HA PHE A 111 16.141 -0.931 -10.202 1.00 2.30 H new ATOM 0 HB2 PHE A 111 16.452 -1.846 -12.630 1.00 74.33 H new ATOM 0 HB3 PHE A 111 16.197 -2.975 -11.314 1.00 74.33 H new ATOM 0 HD1 PHE A 111 14.381 -1.215 -14.073 1.00 34.52 H new ATOM 0 HD2 PHE A 111 14.437 -4.525 -11.396 1.00 12.34 H new ATOM 0 HE1 PHE A 111 12.467 -2.198 -15.249 1.00 15.02 H new ATOM 0 HE2 PHE A 111 12.516 -5.506 -12.567 1.00 44.13 H new ATOM 0 HZ PHE A 111 11.527 -4.342 -14.496 1.00 14.33 H new ATOM 1656 N ASN A 112 14.143 0.869 -11.890 1.00 14.43 N ATOM 1657 CA ASN A 112 13.969 2.158 -12.532 1.00 32.24 C ATOM 1658 C ASN A 112 13.422 3.141 -11.515 1.00 43.42 C ATOM 1659 O ASN A 112 12.432 2.850 -10.849 1.00 51.21 O ATOM 1660 CB ASN A 112 13.038 2.053 -13.746 1.00 65.21 C ATOM 1661 CG ASN A 112 13.706 1.375 -14.927 1.00 34.40 C ATOM 1662 OD1 ASN A 112 14.919 1.469 -15.111 1.00 41.24 O ATOM 1663 ND2 ASN A 112 12.921 0.690 -15.738 1.00 22.24 N ATOM 0 H ASN A 112 13.272 0.439 -11.578 1.00 14.43 H new ATOM 0 HA ASN A 112 14.934 2.510 -12.898 1.00 32.24 H new ATOM 0 HB2 ASN A 112 12.144 1.495 -13.468 1.00 65.21 H new ATOM 0 HB3 ASN A 112 12.713 3.051 -14.039 1.00 65.21 H new ATOM 0 HD21 ASN A 112 13.316 0.216 -16.550 1.00 22.24 H new ATOM 0 HD22 ASN A 112 11.920 0.635 -15.552 1.00 22.24 H new ATOM 1670 N GLU A 113 14.071 4.295 -11.416 1.00 24.13 N ATOM 1671 CA GLU A 113 13.806 5.277 -10.361 1.00 71.34 C ATOM 1672 C GLU A 113 12.533 6.091 -10.610 1.00 34.04 C ATOM 1673 O GLU A 113 11.897 5.983 -11.663 1.00 32.51 O ATOM 1674 CB GLU A 113 15.005 6.219 -10.228 1.00 31.51 C ATOM 1675 CG GLU A 113 15.341 6.973 -11.510 1.00 23.54 C ATOM 1676 CD GLU A 113 16.539 7.871 -11.367 1.00 65.24 C ATOM 1677 OE1 GLU A 113 16.387 8.987 -10.841 1.00 32.30 O ATOM 1678 OE2 GLU A 113 17.633 7.472 -11.805 1.00 33.24 O ATOM 0 H GLU A 113 14.801 4.581 -12.068 1.00 24.13 H new ATOM 0 HA GLU A 113 13.651 4.722 -9.436 1.00 71.34 H new ATOM 0 HB2 GLU A 113 14.802 6.940 -9.436 1.00 31.51 H new ATOM 0 HB3 GLU A 113 15.876 5.642 -9.918 1.00 31.51 H new ATOM 0 HG2 GLU A 113 15.525 6.255 -12.309 1.00 23.54 H new ATOM 0 HG3 GLU A 113 14.480 7.570 -11.810 1.00 23.54 H new ATOM 1685 N GLY A 114 12.174 6.901 -9.622 1.00 35.45 N ATOM 1686 CA GLY A 114 11.028 7.765 -9.747 1.00 41.13 C ATOM 1687 C GLY A 114 10.088 7.648 -8.575 1.00 53.11 C ATOM 1688 O GLY A 114 10.459 7.141 -7.512 1.00 33.33 O ATOM 0 H GLY A 114 12.665 6.971 -8.731 1.00 35.45 H new ATOM 0 HA2 GLY A 114 11.364 8.798 -9.838 1.00 41.13 H new ATOM 0 HA3 GLY A 114 10.492 7.522 -10.664 1.00 41.13 H new ATOM 1692 N GLU A 115 8.867 8.113 -8.778 1.00 52.12 N ATOM 1693 CA GLU A 115 7.849 8.091 -7.744 1.00 1.11 C ATOM 1694 C GLU A 115 6.866 6.959 -8.000 1.00 73.40 C ATOM 1695 O GLU A 115 6.260 6.873 -9.072 1.00 45.42 O ATOM 1696 CB GLU A 115 7.117 9.431 -7.702 1.00 0.23 C ATOM 1697 CG GLU A 115 6.147 9.564 -6.534 1.00 31.32 C ATOM 1698 CD GLU A 115 5.318 10.821 -6.611 1.00 1.01 C ATOM 1699 OE1 GLU A 115 5.814 11.887 -6.211 1.00 12.21 O ATOM 1700 OE2 GLU A 115 4.166 10.750 -7.068 1.00 62.25 O ATOM 0 H GLU A 115 8.555 8.515 -9.662 1.00 52.12 H new ATOM 0 HA GLU A 115 8.328 7.924 -6.779 1.00 1.11 H new ATOM 0 HB2 GLU A 115 7.852 10.234 -7.646 1.00 0.23 H new ATOM 0 HB3 GLU A 115 6.569 9.565 -8.635 1.00 0.23 H new ATOM 0 HG2 GLU A 115 5.486 8.698 -6.515 1.00 31.32 H new ATOM 0 HG3 GLU A 115 6.707 9.559 -5.599 1.00 31.32 H new ATOM 1707 N TYR A 116 6.732 6.085 -7.019 1.00 63.40 N ATOM 1708 CA TYR A 116 5.776 4.988 -7.079 1.00 62.02 C ATOM 1709 C TYR A 116 4.753 5.206 -5.984 1.00 23.40 C ATOM 1710 O TYR A 116 5.104 5.648 -4.895 1.00 61.34 O ATOM 1711 CB TYR A 116 6.454 3.622 -6.867 1.00 34.03 C ATOM 1712 CG TYR A 116 7.926 3.567 -7.227 1.00 52.14 C ATOM 1713 CD1 TYR A 116 8.355 3.438 -8.543 1.00 53.42 C ATOM 1714 CD2 TYR A 116 8.885 3.645 -6.231 1.00 42.34 C ATOM 1715 CE1 TYR A 116 9.703 3.388 -8.848 1.00 53.04 C ATOM 1716 CE2 TYR A 116 10.227 3.598 -6.525 1.00 44.32 C ATOM 1717 CZ TYR A 116 10.634 3.468 -7.833 1.00 21.35 C ATOM 1718 OH TYR A 116 11.974 3.418 -8.128 1.00 2.00 O ATOM 0 H TYR A 116 7.280 6.113 -6.159 1.00 63.40 H new ATOM 0 HA TYR A 116 5.315 4.977 -8.067 1.00 62.02 H new ATOM 0 HB2 TYR A 116 6.342 3.338 -5.821 1.00 34.03 H new ATOM 0 HB3 TYR A 116 5.924 2.876 -7.459 1.00 34.03 H new ATOM 0 HD1 TYR A 116 7.626 3.376 -9.338 1.00 53.42 H new ATOM 0 HD2 TYR A 116 8.572 3.745 -5.202 1.00 42.34 H new ATOM 0 HE1 TYR A 116 10.025 3.287 -9.874 1.00 53.04 H new ATOM 0 HE2 TYR A 116 10.958 3.663 -5.733 1.00 44.32 H new ATOM 0 HH TYR A 116 12.092 3.218 -9.080 1.00 2.00 H new ATOM 1728 N ILE A 117 3.492 4.936 -6.253 1.00 23.05 N ATOM 1729 CA ILE A 117 2.470 5.151 -5.239 1.00 52.51 C ATOM 1730 C ILE A 117 1.714 3.851 -4.954 1.00 5.44 C ATOM 1731 O ILE A 117 1.062 3.287 -5.839 1.00 11.34 O ATOM 1732 CB ILE A 117 1.472 6.288 -5.622 1.00 45.50 C ATOM 1733 CG1 ILE A 117 2.220 7.595 -5.954 1.00 42.21 C ATOM 1734 CG2 ILE A 117 0.495 6.527 -4.477 1.00 61.24 C ATOM 1735 CD1 ILE A 117 1.338 8.699 -6.501 1.00 71.14 C ATOM 0 H ILE A 117 3.151 4.575 -7.144 1.00 23.05 H new ATOM 0 HA ILE A 117 2.986 5.472 -4.334 1.00 52.51 H new ATOM 0 HB ILE A 117 0.923 5.975 -6.510 1.00 45.50 H new ATOM 0 HG12 ILE A 117 2.715 7.955 -5.052 1.00 42.21 H new ATOM 0 HG13 ILE A 117 3.002 7.377 -6.681 1.00 42.21 H new ATOM 0 HG21 ILE A 117 -0.199 7.322 -4.751 1.00 61.24 H new ATOM 0 HG22 ILE A 117 -0.062 5.612 -4.277 1.00 61.24 H new ATOM 0 HG23 ILE A 117 1.046 6.819 -3.583 1.00 61.24 H new ATOM 0 HD11 ILE A 117 1.945 9.581 -6.707 1.00 71.14 H new ATOM 0 HD12 ILE A 117 0.863 8.362 -7.422 1.00 71.14 H new ATOM 0 HD13 ILE A 117 0.571 8.949 -5.768 1.00 71.14 H new ATOM 1747 N VAL A 118 1.823 3.379 -3.712 1.00 64.15 N ATOM 1748 CA VAL A 118 1.107 2.181 -3.276 1.00 64.43 C ATOM 1749 C VAL A 118 -0.227 2.579 -2.649 1.00 73.50 C ATOM 1750 O VAL A 118 -0.253 3.285 -1.639 1.00 31.20 O ATOM 1751 CB VAL A 118 1.910 1.350 -2.235 1.00 11.13 C ATOM 1752 CG1 VAL A 118 1.187 0.052 -1.894 1.00 52.43 C ATOM 1753 CG2 VAL A 118 3.322 1.053 -2.713 1.00 44.40 C ATOM 0 H VAL A 118 2.401 3.809 -2.990 1.00 64.15 H new ATOM 0 HA VAL A 118 0.957 1.563 -4.161 1.00 64.43 H new ATOM 0 HB VAL A 118 1.983 1.958 -1.333 1.00 11.13 H new ATOM 0 HG11 VAL A 118 1.771 -0.509 -1.164 1.00 52.43 H new ATOM 0 HG12 VAL A 118 0.207 0.281 -1.476 1.00 52.43 H new ATOM 0 HG13 VAL A 118 1.066 -0.545 -2.798 1.00 52.43 H new ATOM 0 HG21 VAL A 118 3.848 0.471 -1.956 1.00 44.40 H new ATOM 0 HG22 VAL A 118 3.280 0.485 -3.643 1.00 44.40 H new ATOM 0 HG23 VAL A 118 3.853 1.990 -2.884 1.00 44.40 H new ATOM 1763 N SER A 119 -1.321 2.144 -3.252 1.00 73.52 N ATOM 1764 CA SER A 119 -2.638 2.379 -2.689 1.00 12.24 C ATOM 1765 C SER A 119 -3.218 1.067 -2.162 1.00 52.32 C ATOM 1766 O SER A 119 -3.502 0.136 -2.926 1.00 72.31 O ATOM 1767 CB SER A 119 -3.554 3.007 -3.745 1.00 43.44 C ATOM 1768 OG SER A 119 -3.013 4.236 -4.220 1.00 62.43 O ATOM 0 H SER A 119 -1.322 1.627 -4.131 1.00 73.52 H new ATOM 0 HA SER A 119 -2.558 3.075 -1.854 1.00 12.24 H new ATOM 0 HB2 SER A 119 -3.683 2.316 -4.578 1.00 43.44 H new ATOM 0 HB3 SER A 119 -4.542 3.180 -3.319 1.00 43.44 H new ATOM 0 HG SER A 119 -2.655 4.749 -3.466 1.00 62.43 H new ATOM 1774 N LEU A 120 -3.364 0.998 -0.848 1.00 73.40 N ATOM 1775 CA LEU A 120 -3.910 -0.173 -0.191 1.00 52.30 C ATOM 1776 C LEU A 120 -5.251 0.184 0.421 1.00 40.35 C ATOM 1777 O LEU A 120 -5.343 1.041 1.303 1.00 35.30 O ATOM 1778 CB LEU A 120 -2.912 -0.709 0.858 1.00 64.55 C ATOM 1779 CG LEU A 120 -3.355 -1.914 1.724 1.00 74.22 C ATOM 1780 CD1 LEU A 120 -3.877 -3.074 0.878 1.00 51.31 C ATOM 1781 CD2 LEU A 120 -2.185 -2.388 2.569 1.00 61.44 C ATOM 0 H LEU A 120 -3.107 1.752 -0.211 1.00 73.40 H new ATOM 0 HA LEU A 120 -4.070 -0.973 -0.914 1.00 52.30 H new ATOM 0 HB2 LEU A 120 -1.996 -0.989 0.337 1.00 64.55 H new ATOM 0 HB3 LEU A 120 -2.659 0.111 1.530 1.00 64.55 H new ATOM 0 HG LEU A 120 -4.173 -1.578 2.361 1.00 74.22 H new ATOM 0 HD11 LEU A 120 -4.175 -3.895 1.530 1.00 51.31 H new ATOM 0 HD12 LEU A 120 -4.737 -2.742 0.296 1.00 51.31 H new ATOM 0 HD13 LEU A 120 -3.092 -3.414 0.203 1.00 51.31 H new ATOM 0 HD21 LEU A 120 -2.497 -3.236 3.179 1.00 61.44 H new ATOM 0 HD22 LEU A 120 -1.365 -2.691 1.918 1.00 61.44 H new ATOM 0 HD23 LEU A 120 -1.853 -1.577 3.218 1.00 61.44 H new ATOM 1793 N ILE A 121 -6.284 -0.464 -0.081 1.00 11.23 N ATOM 1794 CA ILE A 121 -7.641 -0.239 0.375 1.00 3.54 C ATOM 1795 C ILE A 121 -8.189 -1.552 0.910 1.00 24.15 C ATOM 1796 O ILE A 121 -8.018 -2.599 0.297 1.00 41.23 O ATOM 1797 CB ILE A 121 -8.535 0.395 -0.765 1.00 71.45 C ATOM 1798 CG1 ILE A 121 -10.039 0.587 -0.361 1.00 55.32 C ATOM 1799 CG2 ILE A 121 -8.391 -0.358 -2.089 1.00 2.44 C ATOM 1800 CD1 ILE A 121 -10.989 -0.576 -0.645 1.00 54.41 C ATOM 0 H ILE A 121 -6.205 -1.164 -0.819 1.00 11.23 H new ATOM 0 HA ILE A 121 -7.654 0.492 1.183 1.00 3.54 H new ATOM 0 HB ILE A 121 -8.144 1.402 -0.913 1.00 71.45 H new ATOM 0 HG12 ILE A 121 -10.078 0.803 0.707 1.00 55.32 H new ATOM 0 HG13 ILE A 121 -10.419 1.468 -0.878 1.00 55.32 H new ATOM 0 HG21 ILE A 121 -9.022 0.110 -2.844 1.00 2.44 H new ATOM 0 HG22 ILE A 121 -7.351 -0.327 -2.414 1.00 2.44 H new ATOM 0 HG23 ILE A 121 -8.697 -1.395 -1.953 1.00 2.44 H new ATOM 0 HD11 ILE A 121 -11.995 -0.312 -0.318 1.00 54.41 H new ATOM 0 HD12 ILE A 121 -10.998 -0.785 -1.715 1.00 54.41 H new ATOM 0 HD13 ILE A 121 -10.652 -1.461 -0.105 1.00 54.41 H new ATOM 1812 N VAL A 122 -8.783 -1.498 2.087 1.00 24.40 N ATOM 1813 CA VAL A 122 -9.452 -2.654 2.661 1.00 25.22 C ATOM 1814 C VAL A 122 -10.933 -2.370 2.863 1.00 72.32 C ATOM 1815 O VAL A 122 -11.339 -1.221 3.018 1.00 34.21 O ATOM 1816 CB VAL A 122 -8.803 -3.127 3.987 1.00 71.12 C ATOM 1817 CG1 VAL A 122 -7.495 -3.847 3.706 1.00 22.14 C ATOM 1818 CG2 VAL A 122 -8.568 -1.973 4.958 1.00 51.41 C ATOM 0 H VAL A 122 -8.817 -0.661 2.669 1.00 24.40 H new ATOM 0 HA VAL A 122 -9.338 -3.469 1.946 1.00 25.22 H new ATOM 0 HB VAL A 122 -9.502 -3.816 4.461 1.00 71.12 H new ATOM 0 HG11 VAL A 122 -7.050 -4.174 4.646 1.00 22.14 H new ATOM 0 HG12 VAL A 122 -7.686 -4.714 3.074 1.00 22.14 H new ATOM 0 HG13 VAL A 122 -6.809 -3.170 3.196 1.00 22.14 H new ATOM 0 HG21 VAL A 122 -8.112 -2.354 5.872 1.00 51.41 H new ATOM 0 HG22 VAL A 122 -7.904 -1.241 4.499 1.00 51.41 H new ATOM 0 HG23 VAL A 122 -9.520 -1.499 5.198 1.00 51.41 H new ATOM 1828 N SER A 123 -11.733 -3.414 2.873 1.00 11.11 N ATOM 1829 CA SER A 123 -13.166 -3.266 2.911 1.00 14.11 C ATOM 1830 C SER A 123 -13.726 -3.952 4.151 1.00 60.12 C ATOM 1831 O SER A 123 -13.053 -4.790 4.758 1.00 22.24 O ATOM 1832 CB SER A 123 -13.767 -3.857 1.643 1.00 4.50 C ATOM 1833 OG SER A 123 -13.374 -5.209 1.476 1.00 12.10 O ATOM 0 H SER A 123 -11.409 -4.381 2.855 1.00 11.11 H new ATOM 0 HA SER A 123 -13.427 -2.209 2.962 1.00 14.11 H new ATOM 0 HB2 SER A 123 -14.854 -3.794 1.688 1.00 4.50 H new ATOM 0 HB3 SER A 123 -13.449 -3.273 0.779 1.00 4.50 H new ATOM 0 HG SER A 123 -13.774 -5.567 0.656 1.00 12.10 H new ATOM 1839 N ASN A 124 -14.936 -3.576 4.531 1.00 52.04 N ATOM 1840 CA ASN A 124 -15.615 -4.141 5.688 1.00 23.12 C ATOM 1841 C ASN A 124 -17.125 -4.062 5.432 1.00 23.03 C ATOM 1842 O ASN A 124 -17.543 -3.680 4.340 1.00 3.34 O ATOM 1843 CB ASN A 124 -15.172 -3.357 6.948 1.00 31.22 C ATOM 1844 CG ASN A 124 -15.597 -3.921 8.293 1.00 10.45 C ATOM 1845 OD1 ASN A 124 -16.616 -3.514 8.844 1.00 51.12 O ATOM 1846 ND2 ASN A 124 -14.816 -4.835 8.831 1.00 55.20 N ATOM 0 H ASN A 124 -15.480 -2.865 4.042 1.00 52.04 H new ATOM 0 HA ASN A 124 -15.358 -5.188 5.852 1.00 23.12 H new ATOM 0 HB2 ASN A 124 -14.084 -3.286 6.938 1.00 31.22 H new ATOM 0 HB3 ASN A 124 -15.559 -2.341 6.869 1.00 31.22 H new ATOM 0 HD21 ASN A 124 -15.049 -5.233 9.741 1.00 55.20 H new ATOM 0 HD22 ASN A 124 -13.978 -5.144 8.338 1.00 55.20 H new ATOM 1853 N GLU A 125 -17.920 -4.446 6.413 1.00 3.11 N ATOM 1854 CA GLU A 125 -19.366 -4.324 6.373 1.00 12.01 C ATOM 1855 C GLU A 125 -19.799 -2.871 6.623 1.00 74.40 C ATOM 1856 O GLU A 125 -20.769 -2.394 6.030 1.00 34.43 O ATOM 1857 CB GLU A 125 -19.941 -5.272 7.429 1.00 34.04 C ATOM 1858 CG GLU A 125 -21.421 -5.114 7.726 1.00 74.33 C ATOM 1859 CD GLU A 125 -21.876 -6.053 8.809 1.00 31.21 C ATOM 1860 OE1 GLU A 125 -21.483 -5.852 9.973 1.00 23.21 O ATOM 1861 OE2 GLU A 125 -22.616 -6.998 8.497 1.00 52.11 O ATOM 0 H GLU A 125 -17.572 -4.860 7.278 1.00 3.11 H new ATOM 0 HA GLU A 125 -19.745 -4.595 5.388 1.00 12.01 H new ATOM 0 HB2 GLU A 125 -19.763 -6.297 7.105 1.00 34.04 H new ATOM 0 HB3 GLU A 125 -19.387 -5.130 8.357 1.00 34.04 H new ATOM 0 HG2 GLU A 125 -21.624 -4.086 8.027 1.00 74.33 H new ATOM 0 HG3 GLU A 125 -21.996 -5.300 6.819 1.00 74.33 H new ATOM 1868 N ASN A 126 -19.061 -2.174 7.482 1.00 1.41 N ATOM 1869 CA ASN A 126 -19.419 -0.817 7.890 1.00 24.51 C ATOM 1870 C ASN A 126 -18.885 0.214 6.900 1.00 54.43 C ATOM 1871 O ASN A 126 -19.655 0.976 6.312 1.00 62.03 O ATOM 1872 CB ASN A 126 -18.876 -0.509 9.294 1.00 64.34 C ATOM 1873 CG ASN A 126 -19.404 -1.440 10.375 1.00 64.32 C ATOM 1874 OD1 ASN A 126 -20.490 -1.235 10.911 1.00 10.02 O ATOM 1875 ND2 ASN A 126 -18.622 -2.446 10.728 1.00 33.10 N ATOM 0 H ASN A 126 -18.206 -2.528 7.912 1.00 1.41 H new ATOM 0 HA ASN A 126 -20.507 -0.757 7.906 1.00 24.51 H new ATOM 0 HB2 ASN A 126 -17.788 -0.571 9.274 1.00 64.34 H new ATOM 0 HB3 ASN A 126 -19.132 0.518 9.555 1.00 64.34 H new ATOM 0 HD21 ASN A 126 -18.914 -3.084 11.469 1.00 33.10 H new ATOM 0 HD22 ASN A 126 -17.727 -2.585 10.260 1.00 33.10 H new ATOM 1882 N ASP A 127 -17.569 0.215 6.707 1.00 4.25 N ATOM 1883 CA ASP A 127 -16.904 1.198 5.851 1.00 22.02 C ATOM 1884 C ASP A 127 -15.765 0.549 5.091 1.00 40.22 C ATOM 1885 O ASP A 127 -15.439 -0.608 5.333 1.00 43.32 O ATOM 1886 CB ASP A 127 -16.326 2.367 6.669 1.00 61.34 C ATOM 1887 CG ASP A 127 -17.374 3.313 7.206 1.00 72.33 C ATOM 1888 OD1 ASP A 127 -17.791 4.229 6.469 1.00 14.44 O ATOM 1889 OD2 ASP A 127 -17.783 3.148 8.369 1.00 51.14 O ATOM 0 H ASP A 127 -16.935 -0.460 7.135 1.00 4.25 H new ATOM 0 HA ASP A 127 -17.658 1.580 5.162 1.00 22.02 H new ATOM 0 HB2 ASP A 127 -15.751 1.965 7.503 1.00 61.34 H new ATOM 0 HB3 ASP A 127 -15.631 2.927 6.044 1.00 61.34 H new ATOM 1894 N SER A 128 -15.178 1.277 4.152 1.00 72.31 N ATOM 1895 CA SER A 128 -13.916 0.884 3.542 1.00 24.11 C ATOM 1896 C SER A 128 -12.878 1.936 3.882 1.00 43.43 C ATOM 1897 O SER A 128 -13.178 3.134 3.877 1.00 53.44 O ATOM 1898 CB SER A 128 -14.062 0.739 2.024 1.00 3.22 C ATOM 1899 OG SER A 128 -14.964 -0.306 1.709 1.00 63.03 O ATOM 0 H SER A 128 -15.560 2.152 3.793 1.00 72.31 H new ATOM 0 HA SER A 128 -13.606 -0.086 3.930 1.00 24.11 H new ATOM 0 HB2 SER A 128 -14.418 1.676 1.596 1.00 3.22 H new ATOM 0 HB3 SER A 128 -13.089 0.534 1.577 1.00 3.22 H new ATOM 0 HG SER A 128 -15.047 -0.384 0.736 1.00 63.03 H new ATOM 1905 N ASP A 129 -11.681 1.500 4.215 1.00 70.22 N ATOM 1906 CA ASP A 129 -10.631 2.411 4.621 1.00 54.32 C ATOM 1907 C ASP A 129 -9.454 2.251 3.685 1.00 51.30 C ATOM 1908 O ASP A 129 -9.001 1.132 3.444 1.00 60.44 O ATOM 1909 CB ASP A 129 -10.217 2.120 6.065 1.00 73.31 C ATOM 1910 CG ASP A 129 -9.418 3.241 6.696 1.00 62.45 C ATOM 1911 OD1 ASP A 129 -10.022 4.266 7.074 1.00 62.32 O ATOM 1912 OD2 ASP A 129 -8.193 3.097 6.844 1.00 50.01 O ATOM 0 H ASP A 129 -11.410 0.517 4.212 1.00 70.22 H new ATOM 0 HA ASP A 129 -10.991 3.439 4.572 1.00 54.32 H new ATOM 0 HB2 ASP A 129 -11.111 1.939 6.662 1.00 73.31 H new ATOM 0 HB3 ASP A 129 -9.627 1.204 6.089 1.00 73.31 H new ATOM 1917 N SER A 130 -8.975 3.355 3.142 1.00 0.22 N ATOM 1918 CA SER A 130 -7.864 3.322 2.211 1.00 0.52 C ATOM 1919 C SER A 130 -6.781 4.304 2.633 1.00 44.43 C ATOM 1920 O SER A 130 -7.067 5.413 3.090 1.00 30.31 O ATOM 1921 CB SER A 130 -8.332 3.643 0.789 1.00 3.30 C ATOM 1922 OG SER A 130 -9.083 4.844 0.747 1.00 52.34 O ATOM 0 H SER A 130 -9.340 4.289 3.331 1.00 0.22 H new ATOM 0 HA SER A 130 -7.450 2.314 2.222 1.00 0.52 H new ATOM 0 HB2 SER A 130 -7.467 3.731 0.131 1.00 3.30 H new ATOM 0 HB3 SER A 130 -8.938 2.820 0.410 1.00 3.30 H new ATOM 0 HG SER A 130 -9.365 5.021 -0.175 1.00 52.34 H new ATOM 1928 N ALA A 131 -5.542 3.877 2.482 1.00 24.24 N ATOM 1929 CA ALA A 131 -4.385 4.714 2.744 1.00 5.20 C ATOM 1930 C ALA A 131 -3.401 4.568 1.598 1.00 43.42 C ATOM 1931 O ALA A 131 -3.315 3.505 0.967 1.00 12.33 O ATOM 1932 CB ALA A 131 -3.734 4.364 4.081 1.00 54.13 C ATOM 0 H ALA A 131 -5.308 2.934 2.172 1.00 24.24 H new ATOM 0 HA ALA A 131 -4.705 5.754 2.814 1.00 5.20 H new ATOM 0 HB1 ALA A 131 -2.871 5.009 4.246 1.00 54.13 H new ATOM 0 HB2 ALA A 131 -4.455 4.509 4.886 1.00 54.13 H new ATOM 0 HB3 ALA A 131 -3.411 3.323 4.067 1.00 54.13 H new ATOM 1938 N SER A 132 -2.683 5.635 1.307 1.00 4.22 N ATOM 1939 CA SER A 132 -1.766 5.631 0.194 1.00 52.04 C ATOM 1940 C SER A 132 -0.414 6.185 0.626 1.00 32.45 C ATOM 1941 O SER A 132 -0.341 7.096 1.457 1.00 62.23 O ATOM 1942 CB SER A 132 -2.366 6.446 -0.953 1.00 62.32 C ATOM 1943 OG SER A 132 -1.709 6.185 -2.172 1.00 5.41 O ATOM 0 H SER A 132 -2.720 6.512 1.827 1.00 4.22 H new ATOM 0 HA SER A 132 -1.606 4.610 -0.153 1.00 52.04 H new ATOM 0 HB2 SER A 132 -3.426 6.211 -1.052 1.00 62.32 H new ATOM 0 HB3 SER A 132 -2.296 7.509 -0.721 1.00 62.32 H new ATOM 0 HG SER A 132 -1.223 5.336 -2.107 1.00 5.41 H new ATOM 1949 N VAL A 133 0.656 5.629 0.077 1.00 63.53 N ATOM 1950 CA VAL A 133 1.996 6.035 0.452 1.00 1.52 C ATOM 1951 C VAL A 133 2.793 6.449 -0.791 1.00 75.11 C ATOM 1952 O VAL A 133 2.706 5.819 -1.854 1.00 63.50 O ATOM 1953 CB VAL A 133 2.725 4.915 1.269 1.00 61.25 C ATOM 1954 CG1 VAL A 133 2.909 3.632 0.468 1.00 12.43 C ATOM 1955 CG2 VAL A 133 4.059 5.395 1.839 1.00 73.35 C ATOM 0 H VAL A 133 0.619 4.895 -0.630 1.00 63.53 H new ATOM 0 HA VAL A 133 1.923 6.903 1.107 1.00 1.52 H new ATOM 0 HB VAL A 133 2.068 4.682 2.107 1.00 61.25 H new ATOM 0 HG11 VAL A 133 3.419 2.890 1.082 1.00 12.43 H new ATOM 0 HG12 VAL A 133 1.934 3.247 0.169 1.00 12.43 H new ATOM 0 HG13 VAL A 133 3.505 3.840 -0.420 1.00 12.43 H new ATOM 0 HG21 VAL A 133 4.528 4.585 2.398 1.00 73.35 H new ATOM 0 HG22 VAL A 133 4.714 5.701 1.023 1.00 73.35 H new ATOM 0 HG23 VAL A 133 3.887 6.242 2.503 1.00 73.35 H new ATOM 1965 N THR A 134 3.528 7.544 -0.655 1.00 34.30 N ATOM 1966 CA THR A 134 4.388 8.034 -1.710 1.00 44.11 C ATOM 1967 C THR A 134 5.803 7.486 -1.522 1.00 64.22 C ATOM 1968 O THR A 134 6.520 7.866 -0.587 1.00 14.01 O ATOM 1969 CB THR A 134 4.397 9.578 -1.725 1.00 35.30 C ATOM 1970 OG1 THR A 134 3.046 10.062 -1.729 1.00 31.02 O ATOM 1971 CG2 THR A 134 5.121 10.128 -2.942 1.00 20.33 C ATOM 0 H THR A 134 3.541 8.113 0.191 1.00 34.30 H new ATOM 0 HA THR A 134 4.004 7.689 -2.670 1.00 44.11 H new ATOM 0 HB THR A 134 4.925 9.916 -0.833 1.00 35.30 H new ATOM 0 HG1 THR A 134 3.050 11.042 -1.737 1.00 31.02 H new ATOM 0 HG21 THR A 134 5.104 11.218 -2.914 1.00 20.33 H new ATOM 0 HG22 THR A 134 6.154 9.781 -2.938 1.00 20.33 H new ATOM 0 HG23 THR A 134 4.625 9.781 -3.848 1.00 20.33 H new ATOM 1979 N ILE A 135 6.168 6.559 -2.396 1.00 51.30 N ATOM 1980 CA ILE A 135 7.490 5.947 -2.385 1.00 42.14 C ATOM 1981 C ILE A 135 8.393 6.762 -3.296 1.00 74.22 C ATOM 1982 O ILE A 135 8.208 6.785 -4.514 1.00 33.23 O ATOM 1983 CB ILE A 135 7.465 4.462 -2.869 1.00 11.31 C ATOM 1984 CG1 ILE A 135 6.316 3.655 -2.218 1.00 54.22 C ATOM 1985 CG2 ILE A 135 8.806 3.779 -2.596 1.00 30.44 C ATOM 1986 CD1 ILE A 135 6.382 3.538 -0.703 1.00 52.13 C ATOM 0 H ILE A 135 5.556 6.209 -3.133 1.00 51.30 H new ATOM 0 HA ILE A 135 7.858 5.941 -1.359 1.00 42.14 H new ATOM 0 HB ILE A 135 7.287 4.483 -3.944 1.00 11.31 H new ATOM 0 HG12 ILE A 135 5.368 4.120 -2.489 1.00 54.22 H new ATOM 0 HG13 ILE A 135 6.312 2.652 -2.644 1.00 54.22 H new ATOM 0 HG21 ILE A 135 8.765 2.746 -2.941 1.00 30.44 H new ATOM 0 HG22 ILE A 135 9.598 4.308 -3.126 1.00 30.44 H new ATOM 0 HG23 ILE A 135 9.012 3.796 -1.526 1.00 30.44 H new ATOM 0 HD11 ILE A 135 5.533 2.955 -0.346 1.00 52.13 H new ATOM 0 HD12 ILE A 135 7.309 3.042 -0.416 1.00 52.13 H new ATOM 0 HD13 ILE A 135 6.351 4.533 -0.260 1.00 52.13 H new ATOM 1998 N ARG A 136 9.341 7.453 -2.702 1.00 1.34 N ATOM 1999 CA ARG A 136 10.187 8.361 -3.446 1.00 32.41 C ATOM 2000 C ARG A 136 11.572 7.766 -3.606 1.00 12.33 C ATOM 2001 O ARG A 136 12.255 7.472 -2.620 1.00 55.40 O ATOM 2002 CB ARG A 136 10.255 9.713 -2.738 1.00 4.05 C ATOM 2003 CG ARG A 136 8.916 10.432 -2.678 1.00 24.40 C ATOM 2004 CD ARG A 136 8.895 11.486 -1.587 1.00 24.24 C ATOM 2005 NE ARG A 136 9.017 10.889 -0.251 1.00 21.54 N ATOM 2006 CZ ARG A 136 8.835 11.545 0.901 1.00 14.43 C ATOM 2007 NH1 ARG A 136 8.460 12.821 0.903 1.00 72.44 N ATOM 2008 NH2 ARG A 136 9.007 10.909 2.054 1.00 23.34 N ATOM 0 H ARG A 136 9.546 7.403 -1.704 1.00 1.34 H new ATOM 0 HA ARG A 136 9.762 8.515 -4.438 1.00 32.41 H new ATOM 0 HB2 ARG A 136 10.625 9.565 -1.724 1.00 4.05 H new ATOM 0 HB3 ARG A 136 10.977 10.348 -3.252 1.00 4.05 H new ATOM 0 HG2 ARG A 136 8.711 10.900 -3.641 1.00 24.40 H new ATOM 0 HG3 ARG A 136 8.121 9.708 -2.500 1.00 24.40 H new ATOM 0 HD2 ARG A 136 9.711 12.191 -1.746 1.00 24.24 H new ATOM 0 HD3 ARG A 136 7.967 12.054 -1.648 1.00 24.24 H new ATOM 0 HE ARG A 136 9.259 9.900 -0.197 1.00 21.54 H new ATOM 0 HH11 ARG A 136 8.308 13.309 0.020 1.00 72.44 H new ATOM 0 HH12 ARG A 136 8.324 13.311 1.787 1.00 72.44 H new ATOM 0 HH21 ARG A 136 9.277 9.925 2.059 1.00 23.34 H new ATOM 0 HH22 ARG A 136 8.870 11.404 2.935 1.00 23.34 H new ATOM 2022 N ALA A 137 11.980 7.579 -4.844 1.00 74.12 N ATOM 2023 CA ALA A 137 13.282 7.025 -5.119 1.00 23.50 C ATOM 2024 C ALA A 137 14.102 8.010 -5.922 1.00 12.14 C ATOM 2025 O ALA A 137 13.822 8.274 -7.094 1.00 41.42 O ATOM 2026 CB ALA A 137 13.164 5.700 -5.839 1.00 44.42 C ATOM 0 H ALA A 137 11.428 7.803 -5.672 1.00 74.12 H new ATOM 0 HA ALA A 137 13.791 6.840 -4.173 1.00 23.50 H new ATOM 0 HB1 ALA A 137 14.160 5.303 -6.035 1.00 44.42 H new ATOM 0 HB2 ALA A 137 12.608 4.997 -5.218 1.00 44.42 H new ATOM 0 HB3 ALA A 137 12.639 5.844 -6.783 1.00 44.42 H new ATOM 2032 N LEU A 138 15.107 8.551 -5.264 1.00 75.23 N ATOM 2033 CA LEU A 138 16.024 9.487 -5.869 1.00 34.05 C ATOM 2034 C LEU A 138 17.283 8.783 -6.333 1.00 0.50 C ATOM 2035 O LEU A 138 17.429 7.566 -6.167 1.00 31.14 O ATOM 2036 CB LEU A 138 16.348 10.641 -4.920 1.00 34.50 C ATOM 2037 CG LEU A 138 16.585 10.301 -3.449 1.00 24.12 C ATOM 2038 CD1 LEU A 138 18.007 9.842 -3.165 1.00 54.21 C ATOM 2039 CD2 LEU A 138 16.261 11.518 -2.655 1.00 20.23 C ATOM 0 H LEU A 138 15.310 8.349 -4.285 1.00 75.23 H new ATOM 0 HA LEU A 138 15.537 9.915 -6.745 1.00 34.05 H new ATOM 0 HB2 LEU A 138 17.238 11.146 -5.296 1.00 34.50 H new ATOM 0 HB3 LEU A 138 15.529 11.359 -4.971 1.00 34.50 H new ATOM 0 HG LEU A 138 15.946 9.462 -3.173 1.00 24.12 H new ATOM 0 HD11 LEU A 138 18.111 9.616 -2.104 1.00 54.21 H new ATOM 0 HD12 LEU A 138 18.224 8.948 -3.750 1.00 54.21 H new ATOM 0 HD13 LEU A 138 18.706 10.633 -3.438 1.00 54.21 H new ATOM 0 HD21 LEU A 138 16.418 11.314 -1.596 1.00 20.23 H new ATOM 0 HD22 LEU A 138 16.907 12.338 -2.967 1.00 20.23 H new ATOM 0 HD23 LEU A 138 15.220 11.794 -2.820 1.00 20.23 H new