USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 674 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 91 THR OG1 : rot -170:sc= 0.569 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.017 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -4.47! C(o=-7.2!,f=-9.4!) USER MOD Set 2.2: A 98 ASN : amide:sc= -2.78! C(o=-7.2!,f=-5.6!) USER MOD Set 3.1: A 81 ASN : amide:sc= -26.6! C(o=-58!,f=-24!) USER MOD Set 3.2: A 83 ASN : amide:sc= -20.7! C(o=-58!,f=-24!) USER MOD Set 3.3: A 85 GLN : amide:sc= -10.4! K(o=-58!,f=-27) USER MOD Set 4.1: A 35 SER OG : rot -148:sc= -0.236! USER MOD Set 4.2: A 68 TYR OH : rot -153:sc= -4.68! USER MOD Set 5.1: A 27 HIS : no HE2:sc= -14.8! C(o=-17!,f=-27!) USER MOD Set 5.2: A 57 TYR OH : rot -135:sc= -2.08! USER MOD Set 6.1: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 43 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.34) USER MOD Set 7.1: A 36 ASN : amide:sc= 1.27 K(o=1.4,f=-1.6!) USER MOD Set 7.2: A 38 TYR OH : rot 180:sc= 0.14 USER MOD Set 8.1: A 9 ASN : amide:sc= -15.7! C(o=-23!,f=-27!) USER MOD Set 8.2: A 11 TYR OH : rot 51:sc= -6.7! USER MOD Set 8.3: A 63 SER OG : rot 170:sc= -0.294 USER MOD Set 9.1: A 6 CYS SG : rot -21:sc= -25.5! USER MOD Set 9.2: A 103 CYS SG : rot -165:sc= -37! USER MOD Set10.1: A 2 CYS SG : rot 5:sc= 1.06 USER MOD Set10.2: A 10 CYS SG : rot 104:sc= -6.31! USER MOD Single : A 4 TYR OH : rot -83:sc= 0.054 USER MOD Single : A 5 THR OG1 : rot -72:sc= -0.514 USER MOD Single : A 8 SER OG : rot 64:sc= 0.988 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 104:sc= 0.00213 USER MOD Single : A 20 GLN : amide:sc= -20.4! C(o=-20!,f=-22!) USER MOD Single : A 24 TYR OH : rot 83:sc= 0.683 USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= 0.424 (180deg=-0.0124) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 59:sc= 0.585 USER MOD Single : A 40 HIS : no HD1:sc= -8.12! C(o=-6.8!,f=-11!) USER MOD Single : A 42 TYR OH : rot 26:sc= -3.24! USER MOD Single : A 44 ASN : amide:sc= -3.19! C(o=-3.2!,f=-0.76!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.176 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -44:sc= 0.539 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.014 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -14.3! C(o=-14!,f=-7.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -20.7! C(o=-21!,f=-14!) USER MOD Single : A 104 THR OG1 : rot -9:sc= 0.613 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -5.034 -13.757 -7.010 1.00 0.00 N ATOM 12 CA CYS A 2 -3.977 -13.068 -6.289 1.00 0.00 C ATOM 13 C CYS A 2 -3.676 -11.755 -7.017 1.00 0.00 C ATOM 14 O CYS A 2 -2.550 -11.529 -7.457 1.00 0.00 O ATOM 15 CB CYS A 2 -2.728 -13.940 -6.147 1.00 0.00 C ATOM 16 SG CYS A 2 -2.921 -15.660 -6.742 1.00 0.00 S ATOM 0 HA CYS A 2 -4.307 -12.852 -5.273 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.910 -13.471 -6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.436 -13.964 -5.097 1.00 0.00 H new ATOM 0 HG CYS A 2 -4.089 -15.799 -7.295 1.00 0.00 H new ATOM 21 N ASP A 3 -4.704 -10.925 -7.122 1.00 0.00 N ATOM 22 CA ASP A 3 -4.564 -9.642 -7.788 1.00 0.00 C ATOM 23 C ASP A 3 -3.215 -9.023 -7.416 1.00 0.00 C ATOM 24 O ASP A 3 -2.643 -8.260 -8.194 1.00 0.00 O ATOM 25 CB ASP A 3 -5.664 -8.672 -7.352 1.00 0.00 C ATOM 26 CG ASP A 3 -7.092 -9.148 -7.627 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.346 -10.348 -7.388 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.898 -8.300 -8.071 1.00 0.00 O ATOM 0 H ASP A 3 -5.637 -11.117 -6.757 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.636 -9.811 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.559 -8.484 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.510 -7.720 -7.860 1.00 0.00 H new ATOM 33 N TYR A 4 -2.745 -9.376 -6.229 1.00 0.00 N ATOM 34 CA TYR A 4 -1.474 -8.865 -5.746 1.00 0.00 C ATOM 35 C TYR A 4 -0.678 -9.960 -5.033 1.00 0.00 C ATOM 36 O TYR A 4 -1.072 -10.422 -3.963 1.00 0.00 O ATOM 37 CB TYR A 4 -1.817 -7.764 -4.739 1.00 0.00 C ATOM 38 CG TYR A 4 -2.641 -6.617 -5.328 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.023 -5.641 -6.084 1.00 0.00 C ATOM 40 CD2 TYR A 4 -4.001 -6.558 -5.105 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.797 -4.562 -6.639 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.776 -5.479 -5.660 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.136 -4.534 -6.399 1.00 0.00 C ATOM 44 OH TYR A 4 -4.868 -3.514 -6.923 1.00 0.00 O ATOM 0 H TYR A 4 -3.222 -10.010 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.868 -8.500 -6.575 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.368 -8.205 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.892 -7.360 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.958 -5.687 -6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.485 -7.322 -4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.326 -3.792 -7.232 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.841 -5.422 -5.493 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.808 -2.732 -6.335 1.00 0.00 H new ATOM 54 N THR A 5 0.427 -10.344 -5.654 1.00 0.00 N ATOM 55 CA THR A 5 1.282 -11.376 -5.093 1.00 0.00 C ATOM 56 C THR A 5 2.709 -10.852 -4.921 1.00 0.00 C ATOM 57 O THR A 5 3.440 -10.702 -5.899 1.00 0.00 O ATOM 58 CB THR A 5 1.191 -12.607 -5.996 1.00 0.00 C ATOM 59 OG1 THR A 5 -0.031 -13.231 -5.612 1.00 0.00 O ATOM 60 CG2 THR A 5 2.260 -13.652 -5.671 1.00 0.00 C ATOM 0 H THR A 5 0.750 -9.959 -6.541 1.00 0.00 H new ATOM 0 HA THR A 5 0.953 -11.663 -4.094 1.00 0.00 H new ATOM 0 HB THR A 5 1.288 -12.300 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.074 -13.640 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.151 -14.505 -6.341 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.249 -13.213 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.143 -13.984 -4.639 1.00 0.00 H new ATOM 68 N CYS A 6 3.062 -10.588 -3.672 1.00 0.00 N ATOM 69 CA CYS A 6 4.389 -10.084 -3.360 1.00 0.00 C ATOM 70 C CYS A 6 5.357 -11.268 -3.327 1.00 0.00 C ATOM 71 O CYS A 6 5.909 -11.594 -2.277 1.00 0.00 O ATOM 72 CB CYS A 6 4.402 -9.299 -2.047 1.00 0.00 C ATOM 73 SG CYS A 6 3.818 -7.569 -2.180 1.00 0.00 S ATOM 0 H CYS A 6 2.452 -10.713 -2.864 1.00 0.00 H new ATOM 0 HA CYS A 6 4.704 -9.380 -4.130 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.780 -9.823 -1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.418 -9.295 -1.652 1.00 0.00 H new ATOM 0 HG CYS A 6 3.906 -7.175 -3.416 1.00 0.00 H new ATOM 78 N GLY A 7 5.534 -11.879 -4.489 1.00 0.00 N ATOM 79 CA GLY A 7 6.426 -13.021 -4.606 1.00 0.00 C ATOM 80 C GLY A 7 5.700 -14.322 -4.260 1.00 0.00 C ATOM 81 O GLY A 7 5.667 -15.251 -5.066 1.00 0.00 O ATOM 0 H GLY A 7 5.075 -11.605 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.818 -13.078 -5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.280 -12.889 -3.942 1.00 0.00 H new ATOM 85 N SER A 8 5.137 -14.347 -3.062 1.00 0.00 N ATOM 86 CA SER A 8 4.413 -15.519 -2.599 1.00 0.00 C ATOM 87 C SER A 8 3.246 -15.096 -1.706 1.00 0.00 C ATOM 88 O SER A 8 3.067 -15.634 -0.615 1.00 0.00 O ATOM 89 CB SER A 8 5.339 -16.476 -1.845 1.00 0.00 C ATOM 90 OG SER A 8 5.334 -16.228 -0.441 1.00 0.00 O ATOM 0 H SER A 8 5.167 -13.574 -2.397 1.00 0.00 H new ATOM 0 HA SER A 8 4.022 -16.045 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.029 -17.504 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.355 -16.375 -2.228 1.00 0.00 H new ATOM 0 HG SER A 8 4.439 -16.403 -0.081 1.00 0.00 H new ATOM 96 N ASN A 9 2.482 -14.134 -2.203 1.00 0.00 N ATOM 97 CA ASN A 9 1.336 -13.631 -1.463 1.00 0.00 C ATOM 98 C ASN A 9 0.081 -13.752 -2.330 1.00 0.00 C ATOM 99 O ASN A 9 0.105 -14.402 -3.375 1.00 0.00 O ATOM 100 CB ASN A 9 1.520 -12.156 -1.100 1.00 0.00 C ATOM 101 CG ASN A 9 2.880 -11.917 -0.444 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.984 -11.522 0.707 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.917 -12.178 -1.235 1.00 0.00 N ATOM 0 H ASN A 9 2.634 -13.690 -3.108 1.00 0.00 H new ATOM 0 HA ASN A 9 1.240 -14.218 -0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.433 -11.544 -1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.726 -11.843 -0.422 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.868 -12.050 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.761 -12.506 -2.188 1.00 0.00 H new ATOM 110 N CYS A 10 -0.984 -13.118 -1.864 1.00 0.00 N ATOM 111 CA CYS A 10 -2.247 -13.147 -2.584 1.00 0.00 C ATOM 112 C CYS A 10 -3.211 -12.174 -1.902 1.00 0.00 C ATOM 113 O CYS A 10 -4.126 -12.596 -1.197 1.00 0.00 O ATOM 114 CB CYS A 10 -2.821 -14.563 -2.661 1.00 0.00 C ATOM 115 SG CYS A 10 -4.305 -14.732 -3.718 1.00 0.00 S ATOM 0 H CYS A 10 -0.999 -12.581 -0.997 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.089 -12.834 -3.616 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.047 -15.234 -3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.070 -14.894 -1.653 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.973 -15.283 -4.848 1.00 0.00 H new ATOM 120 N TYR A 11 -2.972 -10.893 -2.135 1.00 0.00 N ATOM 121 CA TYR A 11 -3.809 -9.858 -1.553 1.00 0.00 C ATOM 122 C TYR A 11 -5.003 -9.544 -2.456 1.00 0.00 C ATOM 123 O TYR A 11 -5.286 -8.379 -2.734 1.00 0.00 O ATOM 124 CB TYR A 11 -2.926 -8.613 -1.444 1.00 0.00 C ATOM 125 CG TYR A 11 -1.510 -8.896 -0.936 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.303 -9.195 0.395 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.442 -8.853 -1.809 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.030 -9.463 0.873 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.889 -9.120 -1.331 1.00 0.00 C ATOM 130 CZ TYR A 11 1.060 -9.412 -0.013 1.00 0.00 C ATOM 131 OH TYR A 11 2.318 -9.664 0.439 1.00 0.00 O ATOM 0 H TYR A 11 -2.210 -10.548 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.200 -10.180 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.862 -8.139 -2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.405 -7.898 -0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.139 -9.228 1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.605 -8.619 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.207 -9.699 1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.733 -9.089 -2.004 1.00 0.00 H new ATOM 0 HH TYR A 11 2.322 -10.503 0.945 1.00 0.00 H new ATOM 141 N SER A 12 -5.670 -10.603 -2.889 1.00 0.00 N ATOM 142 CA SER A 12 -6.828 -10.455 -3.755 1.00 0.00 C ATOM 143 C SER A 12 -7.509 -9.111 -3.493 1.00 0.00 C ATOM 144 O SER A 12 -7.428 -8.574 -2.389 1.00 0.00 O ATOM 145 CB SER A 12 -7.819 -11.602 -3.550 1.00 0.00 C ATOM 146 OG SER A 12 -8.456 -11.536 -2.277 1.00 0.00 O ATOM 0 H SER A 12 -5.431 -11.567 -2.657 1.00 0.00 H new ATOM 0 HA SER A 12 -6.487 -10.486 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.574 -11.573 -4.335 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.297 -12.554 -3.645 1.00 0.00 H new ATOM 0 HG SER A 12 -9.082 -12.284 -2.185 1.00 0.00 H new ATOM 152 N SER A 13 -8.168 -8.605 -4.526 1.00 0.00 N ATOM 153 CA SER A 13 -8.863 -7.334 -4.421 1.00 0.00 C ATOM 154 C SER A 13 -9.543 -7.221 -3.055 1.00 0.00 C ATOM 155 O SER A 13 -9.819 -6.119 -2.584 1.00 0.00 O ATOM 156 CB SER A 13 -9.893 -7.175 -5.541 1.00 0.00 C ATOM 157 OG SER A 13 -11.038 -7.996 -5.334 1.00 0.00 O ATOM 0 H SER A 13 -8.235 -9.053 -5.440 1.00 0.00 H new ATOM 0 HA SER A 13 -8.130 -6.534 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.202 -6.132 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.433 -7.429 -6.496 1.00 0.00 H new ATOM 0 HG SER A 13 -11.672 -7.864 -6.069 1.00 0.00 H new ATOM 163 N SER A 14 -9.794 -8.377 -2.457 1.00 0.00 N ATOM 164 CA SER A 14 -10.437 -8.421 -1.155 1.00 0.00 C ATOM 165 C SER A 14 -9.399 -8.204 -0.051 1.00 0.00 C ATOM 166 O SER A 14 -9.737 -7.756 1.043 1.00 0.00 O ATOM 167 CB SER A 14 -11.165 -9.751 -0.945 1.00 0.00 C ATOM 168 OG SER A 14 -11.888 -9.775 0.282 1.00 0.00 O ATOM 0 H SER A 14 -9.564 -9.290 -2.850 1.00 0.00 H new ATOM 0 HA SER A 14 -11.177 -7.622 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.852 -9.923 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.441 -10.566 -0.956 1.00 0.00 H new ATOM 0 HG SER A 14 -12.340 -10.639 0.379 1.00 0.00 H new ATOM 174 N ASP A 15 -8.158 -8.531 -0.378 1.00 0.00 N ATOM 175 CA ASP A 15 -7.069 -8.378 0.571 1.00 0.00 C ATOM 176 C ASP A 15 -6.551 -6.939 0.520 1.00 0.00 C ATOM 177 O ASP A 15 -5.950 -6.456 1.479 1.00 0.00 O ATOM 178 CB ASP A 15 -5.905 -9.311 0.231 1.00 0.00 C ATOM 179 CG ASP A 15 -5.854 -10.605 1.046 1.00 0.00 C ATOM 180 OD1 ASP A 15 -5.244 -10.565 2.136 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.426 -11.605 0.560 1.00 0.00 O ATOM 0 H ASP A 15 -7.882 -8.902 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.450 -8.624 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.962 -9.568 -0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.970 -8.770 0.378 1.00 0.00 H new ATOM 186 N VAL A 16 -6.804 -6.294 -0.609 1.00 0.00 N ATOM 187 CA VAL A 16 -6.372 -4.919 -0.799 1.00 0.00 C ATOM 188 C VAL A 16 -7.289 -3.987 -0.005 1.00 0.00 C ATOM 189 O VAL A 16 -6.875 -3.417 1.004 1.00 0.00 O ATOM 190 CB VAL A 16 -6.329 -4.586 -2.292 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.154 -3.082 -2.512 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.225 -5.376 -2.998 1.00 0.00 C ATOM 0 H VAL A 16 -7.303 -6.698 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.360 -4.780 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.283 -4.880 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.126 -2.871 -3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.989 -2.548 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.221 -2.753 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.216 -5.121 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.260 -5.127 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.412 -6.444 -2.883 1.00 0.00 H new ATOM 202 N SER A 17 -8.515 -3.860 -0.489 1.00 0.00 N ATOM 203 CA SER A 17 -9.493 -3.006 0.164 1.00 0.00 C ATOM 204 C SER A 17 -9.314 -3.072 1.682 1.00 0.00 C ATOM 205 O SER A 17 -9.312 -2.043 2.355 1.00 0.00 O ATOM 206 CB SER A 17 -10.918 -3.408 -0.221 1.00 0.00 C ATOM 207 OG SER A 17 -11.857 -2.372 0.056 1.00 0.00 O ATOM 0 H SER A 17 -8.854 -4.334 -1.326 1.00 0.00 H new ATOM 0 HA SER A 17 -9.331 -1.981 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.951 -3.654 -1.282 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.201 -4.309 0.324 1.00 0.00 H new ATOM 0 HG SER A 17 -12.755 -2.666 -0.205 1.00 0.00 H new ATOM 213 N THR A 18 -9.169 -4.293 2.176 1.00 0.00 N ATOM 214 CA THR A 18 -8.990 -4.506 3.602 1.00 0.00 C ATOM 215 C THR A 18 -7.872 -3.612 4.139 1.00 0.00 C ATOM 216 O THR A 18 -8.072 -2.873 5.102 1.00 0.00 O ATOM 217 CB THR A 18 -8.738 -5.999 3.830 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.038 -6.544 4.033 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.007 -6.275 5.145 1.00 0.00 C ATOM 0 H THR A 18 -9.172 -5.144 1.614 1.00 0.00 H new ATOM 0 HA THR A 18 -9.884 -4.224 4.159 1.00 0.00 H new ATOM 0 HB THR A 18 -8.155 -6.399 3.000 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.326 -7.013 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.853 -7.348 5.258 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.042 -5.769 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.604 -5.905 5.978 1.00 0.00 H new ATOM 227 N ALA A 19 -6.719 -3.708 3.494 1.00 0.00 N ATOM 228 CA ALA A 19 -5.568 -2.918 3.895 1.00 0.00 C ATOM 229 C ALA A 19 -5.901 -1.431 3.750 1.00 0.00 C ATOM 230 O ALA A 19 -5.566 -0.629 4.620 1.00 0.00 O ATOM 231 CB ALA A 19 -4.352 -3.326 3.061 1.00 0.00 C ATOM 0 H ALA A 19 -6.557 -4.322 2.696 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.322 -3.102 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.489 -2.733 3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.140 -4.383 3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.560 -3.153 2.005 1.00 0.00 H new ATOM 237 N GLN A 20 -6.556 -1.109 2.644 1.00 0.00 N ATOM 238 CA GLN A 20 -6.939 0.266 2.375 1.00 0.00 C ATOM 239 C GLN A 20 -7.786 0.817 3.523 1.00 0.00 C ATOM 240 O GLN A 20 -7.427 1.820 4.138 1.00 0.00 O ATOM 241 CB GLN A 20 -7.682 0.378 1.042 1.00 0.00 C ATOM 242 CG GLN A 20 -7.085 -0.570 0.000 1.00 0.00 C ATOM 243 CD GLN A 20 -7.755 -0.378 -1.362 1.00 0.00 C ATOM 244 OE1 GLN A 20 -8.248 -1.310 -1.977 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.744 0.878 -1.799 1.00 0.00 N ATOM 0 H GLN A 20 -6.831 -1.777 1.924 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.032 0.866 2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.737 0.145 1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.630 1.404 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.014 -0.390 -0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.209 -1.602 0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.314 1.611 -1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.165 1.109 -2.699 1.00 0.00 H new ATOM 254 N ALA A 21 -8.894 0.136 3.778 1.00 0.00 N ATOM 255 CA ALA A 21 -9.795 0.545 4.842 1.00 0.00 C ATOM 256 C ALA A 21 -8.982 1.137 5.994 1.00 0.00 C ATOM 257 O ALA A 21 -9.424 2.078 6.653 1.00 0.00 O ATOM 258 CB ALA A 21 -10.642 -0.651 5.281 1.00 0.00 C ATOM 0 H ALA A 21 -9.188 -0.696 3.266 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.479 1.318 4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.318 -0.345 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.223 -1.016 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.990 -1.446 5.643 1.00 0.00 H new ATOM 264 N ALA A 22 -7.805 0.563 6.203 1.00 0.00 N ATOM 265 CA ALA A 22 -6.926 1.022 7.265 1.00 0.00 C ATOM 266 C ALA A 22 -6.116 2.221 6.767 1.00 0.00 C ATOM 267 O ALA A 22 -5.968 3.213 7.478 1.00 0.00 O ATOM 268 CB ALA A 22 -6.035 -0.132 7.725 1.00 0.00 C ATOM 0 H ALA A 22 -7.440 -0.216 5.654 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.505 1.350 8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.376 0.213 8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.657 -0.947 8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.436 -0.486 6.886 1.00 0.00 H new ATOM 274 N GLY A 23 -5.613 2.089 5.549 1.00 0.00 N ATOM 275 CA GLY A 23 -4.821 3.149 4.947 1.00 0.00 C ATOM 276 C GLY A 23 -5.648 4.428 4.788 1.00 0.00 C ATOM 277 O GLY A 23 -5.171 5.520 5.091 1.00 0.00 O ATOM 0 H GLY A 23 -5.738 1.264 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.947 3.351 5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.454 2.825 3.973 1.00 0.00 H new ATOM 281 N TYR A 24 -6.871 4.248 4.313 1.00 0.00 N ATOM 282 CA TYR A 24 -7.768 5.373 4.111 1.00 0.00 C ATOM 283 C TYR A 24 -8.294 5.902 5.446 1.00 0.00 C ATOM 284 O TYR A 24 -8.044 7.052 5.804 1.00 0.00 O ATOM 285 CB TYR A 24 -8.942 4.834 3.290 1.00 0.00 C ATOM 286 CG TYR A 24 -9.800 5.923 2.642 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.461 7.252 2.797 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.912 5.576 1.901 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.268 8.276 2.186 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.718 6.600 1.292 1.00 0.00 C ATOM 291 CZ TYR A 24 -11.357 7.900 1.463 1.00 0.00 C ATOM 292 OH TYR A 24 -12.119 8.867 0.887 1.00 0.00 O ATOM 0 H TYR A 24 -7.262 3.340 4.062 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.250 6.192 3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.556 4.178 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.574 4.224 3.936 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.591 7.524 3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.177 4.536 1.779 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.014 9.320 2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.591 6.342 0.711 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.721 9.131 0.031 1.00 0.00 H new ATOM 302 N LYS A 25 -9.013 5.038 6.146 1.00 0.00 N ATOM 303 CA LYS A 25 -9.578 5.404 7.434 1.00 0.00 C ATOM 304 C LYS A 25 -8.581 6.285 8.191 1.00 0.00 C ATOM 305 O LYS A 25 -8.886 7.430 8.521 1.00 0.00 O ATOM 306 CB LYS A 25 -10.003 4.155 8.208 1.00 0.00 C ATOM 307 CG LYS A 25 -10.595 4.526 9.569 1.00 0.00 C ATOM 308 CD LYS A 25 -11.943 5.232 9.405 1.00 0.00 C ATOM 309 CE LYS A 25 -12.644 5.396 10.755 1.00 0.00 C ATOM 310 NZ LYS A 25 -11.850 6.268 11.649 1.00 0.00 N ATOM 0 H LYS A 25 -9.218 4.085 5.846 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.486 5.991 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.738 3.597 7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.143 3.500 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.722 3.627 10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.903 5.175 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.792 6.210 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.578 4.659 8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.636 5.824 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.784 4.420 11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.490 6.813 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.223 5.683 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.277 6.922 11.078 1.00 0.00 H new ATOM 324 N LEU A 26 -7.410 5.718 8.442 1.00 0.00 N ATOM 325 CA LEU A 26 -6.367 6.438 9.153 1.00 0.00 C ATOM 326 C LEU A 26 -6.000 7.700 8.369 1.00 0.00 C ATOM 327 O LEU A 26 -5.684 8.731 8.959 1.00 0.00 O ATOM 328 CB LEU A 26 -5.176 5.519 9.432 1.00 0.00 C ATOM 329 CG LEU A 26 -3.979 6.166 10.131 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.237 6.320 11.631 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.693 5.387 9.847 1.00 0.00 C ATOM 0 H LEU A 26 -7.160 4.768 8.166 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.725 6.762 10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.521 4.685 10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.836 5.100 8.485 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.846 7.168 9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.370 6.782 12.104 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.114 6.949 11.787 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.411 5.339 12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.857 5.867 10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.799 4.365 10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.506 5.373 8.773 1.00 0.00 H new ATOM 343 N HIS A 27 -6.051 7.575 7.051 1.00 0.00 N ATOM 344 CA HIS A 27 -5.728 8.693 6.181 1.00 0.00 C ATOM 345 C HIS A 27 -6.768 9.800 6.358 1.00 0.00 C ATOM 346 O HIS A 27 -6.416 10.959 6.576 1.00 0.00 O ATOM 347 CB HIS A 27 -5.597 8.230 4.728 1.00 0.00 C ATOM 348 CG HIS A 27 -5.599 9.356 3.722 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.682 10.393 3.755 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.413 9.596 2.654 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.943 11.214 2.750 1.00 0.00 C ATOM 352 NE2 HIS A 27 -6.016 10.720 2.069 1.00 0.00 N ATOM 0 H HIS A 27 -6.311 6.717 6.565 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.759 9.106 6.460 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.673 7.662 4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.418 7.550 4.499 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.933 10.505 4.438 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.240 8.977 2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.401 12.117 2.511 1.00 0.00 H new ATOM 361 N GLU A 28 -8.029 9.405 6.259 1.00 0.00 N ATOM 362 CA GLU A 28 -9.122 10.350 6.407 1.00 0.00 C ATOM 363 C GLU A 28 -9.032 11.060 7.758 1.00 0.00 C ATOM 364 O GLU A 28 -9.510 12.185 7.907 1.00 0.00 O ATOM 365 CB GLU A 28 -10.475 9.653 6.243 1.00 0.00 C ATOM 366 CG GLU A 28 -10.291 8.184 5.857 1.00 0.00 C ATOM 367 CD GLU A 28 -11.640 7.516 5.581 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.547 7.699 6.423 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.735 6.838 4.535 1.00 0.00 O ATOM 0 H GLU A 28 -8.318 8.444 6.078 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.037 11.099 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.038 9.720 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.061 10.163 5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.658 8.113 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.777 7.655 6.659 1.00 0.00 H new ATOM 376 N ASP A 29 -8.418 10.374 8.712 1.00 0.00 N ATOM 377 CA ASP A 29 -8.259 10.925 10.046 1.00 0.00 C ATOM 378 C ASP A 29 -6.975 11.756 10.101 1.00 0.00 C ATOM 379 O ASP A 29 -6.803 12.582 10.996 1.00 0.00 O ATOM 380 CB ASP A 29 -8.147 9.814 11.091 1.00 0.00 C ATOM 381 CG ASP A 29 -9.460 9.101 11.420 1.00 0.00 C ATOM 382 OD1 ASP A 29 -9.953 8.380 10.526 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.942 9.294 12.558 1.00 0.00 O ATOM 0 H ASP A 29 -8.025 9.441 8.586 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.134 11.538 10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.428 9.075 10.738 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.742 10.239 12.009 1.00 0.00 H new ATOM 388 N GLY A 30 -6.106 11.510 9.132 1.00 0.00 N ATOM 389 CA GLY A 30 -4.844 12.225 9.057 1.00 0.00 C ATOM 390 C GLY A 30 -3.872 11.735 10.133 1.00 0.00 C ATOM 391 O GLY A 30 -2.964 12.462 10.532 1.00 0.00 O ATOM 0 H GLY A 30 -6.252 10.824 8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.401 12.086 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.019 13.294 9.180 1.00 0.00 H new ATOM 395 N GLU A 31 -4.098 10.505 10.573 1.00 0.00 N ATOM 396 CA GLU A 31 -3.254 9.909 11.595 1.00 0.00 C ATOM 397 C GLU A 31 -2.264 8.929 10.962 1.00 0.00 C ATOM 398 O GLU A 31 -2.317 8.680 9.759 1.00 0.00 O ATOM 399 CB GLU A 31 -4.098 9.219 12.668 1.00 0.00 C ATOM 400 CG GLU A 31 -4.786 10.245 13.569 1.00 0.00 C ATOM 401 CD GLU A 31 -3.775 10.935 14.487 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.060 11.824 13.978 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.740 10.558 15.679 1.00 0.00 O ATOM 0 H GLU A 31 -4.853 9.905 10.240 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.688 10.704 12.080 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.848 8.585 12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.465 8.568 13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.293 10.990 12.956 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.550 9.752 14.170 1.00 0.00 H new ATOM 410 N THR A 32 -1.385 8.402 11.800 1.00 0.00 N ATOM 411 CA THR A 32 -0.384 7.455 11.337 1.00 0.00 C ATOM 412 C THR A 32 -0.478 6.150 12.129 1.00 0.00 C ATOM 413 O THR A 32 -1.443 5.930 12.859 1.00 0.00 O ATOM 414 CB THR A 32 0.986 8.129 11.437 1.00 0.00 C ATOM 415 OG1 THR A 32 1.181 8.313 12.836 1.00 0.00 O ATOM 416 CG2 THR A 32 0.982 9.550 10.871 1.00 0.00 C ATOM 0 H THR A 32 -1.344 8.612 12.797 1.00 0.00 H new ATOM 0 HA THR A 32 -0.552 7.179 10.296 1.00 0.00 H new ATOM 0 HB THR A 32 1.725 7.529 10.906 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.048 8.743 12.992 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.978 9.983 10.967 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.698 9.522 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.267 10.160 11.424 1.00 0.00 H new ATOM 424 N VAL A 33 0.538 5.316 11.957 1.00 0.00 N ATOM 425 CA VAL A 33 0.581 4.037 12.647 1.00 0.00 C ATOM 426 C VAL A 33 1.964 3.848 13.273 1.00 0.00 C ATOM 427 O VAL A 33 2.981 4.089 12.626 1.00 0.00 O ATOM 428 CB VAL A 33 0.202 2.911 11.683 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.271 3.005 11.281 1.00 0.00 C ATOM 430 CG2 VAL A 33 1.108 2.915 10.451 1.00 0.00 C ATOM 0 H VAL A 33 1.337 5.501 11.350 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.149 4.013 13.457 1.00 0.00 H new ATOM 0 HB VAL A 33 0.347 1.964 12.202 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.514 2.193 10.596 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.896 2.928 12.170 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.454 3.961 10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.817 2.105 9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.010 3.868 9.931 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.144 2.775 10.761 1.00 0.00 H new ATOM 440 N GLY A 34 1.956 3.419 14.526 1.00 0.00 N ATOM 441 CA GLY A 34 3.197 3.195 15.249 1.00 0.00 C ATOM 442 C GLY A 34 4.352 2.924 14.283 1.00 0.00 C ATOM 443 O GLY A 34 4.778 1.781 14.124 1.00 0.00 O ATOM 0 H GLY A 34 1.110 3.220 15.060 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.427 4.066 15.862 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.080 2.350 15.927 1.00 0.00 H new ATOM 447 N SER A 35 4.826 3.994 13.662 1.00 0.00 N ATOM 448 CA SER A 35 5.923 3.887 12.716 1.00 0.00 C ATOM 449 C SER A 35 6.175 5.241 12.051 1.00 0.00 C ATOM 450 O SER A 35 6.593 6.193 12.711 1.00 0.00 O ATOM 451 CB SER A 35 5.634 2.822 11.656 1.00 0.00 C ATOM 452 OG SER A 35 4.359 3.004 11.049 1.00 0.00 O ATOM 0 H SER A 35 4.470 4.940 13.796 1.00 0.00 H new ATOM 0 HA SER A 35 6.817 3.585 13.262 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.408 2.854 10.889 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.680 1.834 12.114 1.00 0.00 H new ATOM 0 HG SER A 35 3.984 2.131 10.807 1.00 0.00 H new ATOM 458 N ASN A 36 5.911 5.286 10.754 1.00 0.00 N ATOM 459 CA ASN A 36 6.105 6.508 9.992 1.00 0.00 C ATOM 460 C ASN A 36 4.785 7.281 9.932 1.00 0.00 C ATOM 461 O ASN A 36 3.862 7.000 10.694 1.00 0.00 O ATOM 462 CB ASN A 36 6.539 6.202 8.558 1.00 0.00 C ATOM 463 CG ASN A 36 8.063 6.125 8.450 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.796 6.658 9.267 1.00 0.00 O ATOM 465 ND2 ASN A 36 8.497 5.433 7.400 1.00 0.00 N ATOM 0 H ASN A 36 5.564 4.495 10.211 1.00 0.00 H new ATOM 0 HA ASN A 36 6.881 7.093 10.486 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.100 5.258 8.235 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.162 6.974 7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.498 5.323 7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.828 5.012 6.755 1.00 0.00 H new ATOM 472 N SER A 37 4.738 8.239 9.018 1.00 0.00 N ATOM 473 CA SER A 37 3.547 9.054 8.848 1.00 0.00 C ATOM 474 C SER A 37 2.584 8.375 7.872 1.00 0.00 C ATOM 475 O SER A 37 1.871 9.048 7.129 1.00 0.00 O ATOM 476 CB SER A 37 3.905 10.456 8.351 1.00 0.00 C ATOM 477 OG SER A 37 4.048 10.501 6.934 1.00 0.00 O ATOM 0 H SER A 37 5.506 8.469 8.387 1.00 0.00 H new ATOM 0 HA SER A 37 3.060 9.155 9.818 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.131 11.158 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.834 10.780 8.819 1.00 0.00 H new ATOM 0 HG SER A 37 3.212 10.212 6.512 1.00 0.00 H new ATOM 483 N TYR A 38 2.594 7.050 7.906 1.00 0.00 N ATOM 484 CA TYR A 38 1.729 6.273 7.034 1.00 0.00 C ATOM 485 C TYR A 38 0.304 6.213 7.586 1.00 0.00 C ATOM 486 O TYR A 38 0.106 6.183 8.800 1.00 0.00 O ATOM 487 CB TYR A 38 2.315 4.860 7.010 1.00 0.00 C ATOM 488 CG TYR A 38 3.722 4.779 6.415 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.569 5.866 6.496 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.144 3.620 5.796 1.00 0.00 C ATOM 491 CE1 TYR A 38 5.894 5.790 5.936 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.469 3.544 5.235 1.00 0.00 C ATOM 493 CZ TYR A 38 6.277 4.633 5.333 1.00 0.00 C ATOM 494 OH TYR A 38 7.529 4.562 4.804 1.00 0.00 O ATOM 0 H TYR A 38 3.187 6.495 8.523 1.00 0.00 H new ATOM 0 HA TYR A 38 1.680 6.722 6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.339 4.471 8.028 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.652 4.212 6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.238 6.773 6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.481 2.770 5.732 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.567 6.632 5.994 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.812 2.643 4.748 1.00 0.00 H new ATOM 0 HH TYR A 38 7.666 3.677 4.406 1.00 0.00 H new ATOM 504 N PRO A 39 -0.677 6.196 6.645 1.00 0.00 N ATOM 505 CA PRO A 39 -0.356 6.235 5.228 1.00 0.00 C ATOM 506 C PRO A 39 0.077 7.639 4.803 1.00 0.00 C ATOM 507 O PRO A 39 0.194 8.536 5.636 1.00 0.00 O ATOM 508 CB PRO A 39 -1.620 5.763 4.527 1.00 0.00 C ATOM 509 CG PRO A 39 -2.743 5.924 5.537 1.00 0.00 C ATOM 510 CD PRO A 39 -2.113 6.141 6.904 1.00 0.00 C ATOM 0 HA PRO A 39 0.489 5.597 4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.813 6.353 3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.526 4.724 4.210 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.378 6.769 5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.378 5.038 5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.469 7.064 7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.361 5.329 7.588 1.00 0.00 H new ATOM 518 N HIS A 40 0.303 7.785 3.506 1.00 0.00 N ATOM 519 CA HIS A 40 0.721 9.065 2.958 1.00 0.00 C ATOM 520 C HIS A 40 0.972 8.924 1.456 1.00 0.00 C ATOM 521 O HIS A 40 0.978 7.814 0.925 1.00 0.00 O ATOM 522 CB HIS A 40 1.934 9.609 3.715 1.00 0.00 C ATOM 523 CG HIS A 40 3.206 8.832 3.473 1.00 0.00 C ATOM 524 ND1 HIS A 40 3.902 8.884 2.277 1.00 0.00 N ATOM 525 CD2 HIS A 40 3.902 7.986 4.287 1.00 0.00 C ATOM 526 CE1 HIS A 40 4.965 8.099 2.378 1.00 0.00 C ATOM 527 NE2 HIS A 40 4.963 7.544 3.624 1.00 0.00 N ATOM 0 H HIS A 40 0.205 7.038 2.818 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.075 9.798 3.089 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.094 10.648 3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.715 9.605 4.783 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.634 7.721 5.299 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.703 7.929 1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.662 6.896 3.986 1.00 0.00 H new ATOM 536 N LYS A 41 1.175 10.063 0.812 1.00 0.00 N ATOM 537 CA LYS A 41 1.427 10.081 -0.619 1.00 0.00 C ATOM 538 C LYS A 41 2.470 9.015 -0.961 1.00 0.00 C ATOM 539 O LYS A 41 3.139 8.488 -0.074 1.00 0.00 O ATOM 540 CB LYS A 41 1.813 11.489 -1.077 1.00 0.00 C ATOM 541 CG LYS A 41 1.561 11.664 -2.577 1.00 0.00 C ATOM 542 CD LYS A 41 0.858 12.994 -2.863 1.00 0.00 C ATOM 543 CE LYS A 41 1.833 14.166 -2.740 1.00 0.00 C ATOM 544 NZ LYS A 41 1.413 15.281 -3.618 1.00 0.00 N ATOM 0 H LYS A 41 1.170 10.982 1.255 1.00 0.00 H new ATOM 0 HA LYS A 41 0.521 9.829 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.238 12.228 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.865 11.672 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.508 11.626 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.951 10.839 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.431 12.975 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.031 13.130 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.875 14.506 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.838 13.841 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.085 16.069 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.396 14.957 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.463 15.601 -3.342 1.00 0.00 H new ATOM 558 N TYR A 42 2.575 8.729 -2.251 1.00 0.00 N ATOM 559 CA TYR A 42 3.524 7.735 -2.722 1.00 0.00 C ATOM 560 C TYR A 42 4.002 8.061 -4.139 1.00 0.00 C ATOM 561 O TYR A 42 4.643 7.236 -4.786 1.00 0.00 O ATOM 562 CB TYR A 42 2.767 6.406 -2.745 1.00 0.00 C ATOM 563 CG TYR A 42 3.512 5.278 -3.462 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.382 5.123 -4.827 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.315 4.416 -2.743 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.083 4.061 -5.501 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.016 3.354 -3.417 1.00 0.00 C ATOM 568 CZ TYR A 42 4.866 3.229 -4.763 1.00 0.00 C ATOM 569 OH TYR A 42 5.528 2.226 -5.399 1.00 0.00 O ATOM 0 H TYR A 42 2.018 9.168 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 42 4.401 7.705 -2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.563 6.098 -1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.803 6.557 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.755 5.798 -5.390 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.418 4.538 -1.675 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.989 3.928 -6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.647 2.672 -2.866 1.00 0.00 H new ATOM 0 HH TYR A 42 5.675 2.474 -6.336 1.00 0.00 H new ATOM 579 N ASN A 43 3.671 9.267 -4.577 1.00 0.00 N ATOM 580 CA ASN A 43 4.058 9.713 -5.905 1.00 0.00 C ATOM 581 C ASN A 43 4.984 8.671 -6.537 1.00 0.00 C ATOM 582 O ASN A 43 6.203 8.834 -6.533 1.00 0.00 O ATOM 583 CB ASN A 43 4.816 11.041 -5.841 1.00 0.00 C ATOM 584 CG ASN A 43 3.886 12.217 -6.148 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.481 12.442 -7.277 1.00 0.00 O ATOM 586 ND2 ASN A 43 3.573 12.950 -5.084 1.00 0.00 N ATOM 0 H ASN A 43 3.139 9.949 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 43 3.151 9.843 -6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.253 11.167 -4.851 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.640 11.028 -6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.958 13.758 -5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.948 12.705 -4.168 1.00 0.00 H new ATOM 593 N ASN A 44 4.369 7.625 -7.068 1.00 0.00 N ATOM 594 CA ASN A 44 5.122 6.557 -7.703 1.00 0.00 C ATOM 595 C ASN A 44 6.080 7.157 -8.734 1.00 0.00 C ATOM 596 O ASN A 44 5.888 8.287 -9.180 1.00 0.00 O ATOM 597 CB ASN A 44 4.192 5.585 -8.432 1.00 0.00 C ATOM 598 CG ASN A 44 3.704 6.181 -9.754 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.584 6.646 -9.881 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.607 6.140 -10.731 1.00 0.00 N ATOM 0 H ASN A 44 3.357 7.494 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 44 5.667 6.021 -6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.716 4.648 -8.623 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.337 5.349 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.378 6.512 -11.653 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.528 5.737 -10.558 1.00 0.00 H new ATOM 607 N TYR A 45 7.091 6.375 -9.080 1.00 0.00 N ATOM 608 CA TYR A 45 8.079 6.816 -10.050 1.00 0.00 C ATOM 609 C TYR A 45 8.870 5.630 -10.605 1.00 0.00 C ATOM 610 O TYR A 45 9.102 5.544 -11.811 1.00 0.00 O ATOM 611 CB TYR A 45 9.035 7.737 -9.289 1.00 0.00 C ATOM 612 CG TYR A 45 8.669 9.220 -9.373 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.666 9.636 -10.226 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.339 10.143 -8.597 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.320 11.031 -10.305 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.994 11.538 -8.676 1.00 0.00 C ATOM 617 CZ TYR A 45 8.002 11.914 -9.526 1.00 0.00 C ATOM 618 OH TYR A 45 7.675 13.233 -9.601 1.00 0.00 O ATOM 0 H TYR A 45 7.248 5.439 -8.706 1.00 0.00 H new ATOM 0 HA TYR A 45 7.595 7.315 -10.890 1.00 0.00 H new ATOM 0 HB2 TYR A 45 9.055 7.437 -8.241 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.043 7.599 -9.679 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.141 8.914 -10.834 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.123 9.818 -7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.537 11.369 -10.967 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.512 12.270 -8.073 1.00 0.00 H new ATOM 0 HH TYR A 45 8.243 13.746 -8.989 1.00 0.00 H new ATOM 628 N GLU A 46 9.260 4.744 -9.701 1.00 0.00 N ATOM 629 CA GLU A 46 10.019 3.565 -10.086 1.00 0.00 C ATOM 630 C GLU A 46 9.474 2.988 -11.394 1.00 0.00 C ATOM 631 O GLU A 46 10.179 2.269 -12.100 1.00 0.00 O ATOM 632 CB GLU A 46 10.003 2.516 -8.974 1.00 0.00 C ATOM 633 CG GLU A 46 10.645 3.060 -7.696 1.00 0.00 C ATOM 634 CD GLU A 46 11.462 1.977 -6.989 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.436 0.831 -7.485 1.00 0.00 O ATOM 636 OE2 GLU A 46 12.095 2.321 -5.967 1.00 0.00 O ATOM 0 H GLU A 46 9.065 4.818 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 46 11.056 3.860 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.976 2.214 -8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.538 1.625 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.289 3.905 -7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.870 3.432 -7.026 1.00 0.00 H new ATOM 643 N GLY A 47 8.225 3.322 -11.676 1.00 0.00 N ATOM 644 CA GLY A 47 7.577 2.845 -12.886 1.00 0.00 C ATOM 645 C GLY A 47 6.431 1.887 -12.555 1.00 0.00 C ATOM 646 O GLY A 47 6.420 0.745 -13.010 1.00 0.00 O ATOM 0 H GLY A 47 7.643 3.918 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.194 3.692 -13.456 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.307 2.339 -13.518 1.00 0.00 H new ATOM 650 N PHE A 48 5.494 2.389 -11.764 1.00 0.00 N ATOM 651 CA PHE A 48 4.346 1.592 -11.365 1.00 0.00 C ATOM 652 C PHE A 48 3.115 1.944 -12.205 1.00 0.00 C ATOM 653 O PHE A 48 2.836 3.119 -12.440 1.00 0.00 O ATOM 654 CB PHE A 48 4.059 1.922 -9.900 1.00 0.00 C ATOM 655 CG PHE A 48 5.136 1.431 -8.929 1.00 0.00 C ATOM 656 CD1 PHE A 48 5.123 0.143 -8.494 1.00 0.00 C ATOM 657 CD2 PHE A 48 6.106 2.284 -8.502 1.00 0.00 C ATOM 658 CE1 PHE A 48 6.123 -0.312 -7.593 1.00 0.00 C ATOM 659 CE2 PHE A 48 7.105 1.830 -7.603 1.00 0.00 C ATOM 660 CZ PHE A 48 7.093 0.541 -7.168 1.00 0.00 C ATOM 0 H PHE A 48 5.506 3.337 -11.389 1.00 0.00 H new ATOM 0 HA PHE A 48 4.561 0.533 -11.509 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.955 3.002 -9.795 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.103 1.481 -9.619 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.353 -0.534 -8.833 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.115 3.307 -8.848 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.113 -1.335 -7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.875 2.507 -7.264 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.854 0.195 -6.485 1.00 0.00 H new ATOM 670 N ASP A 49 2.414 0.905 -12.634 1.00 0.00 N ATOM 671 CA ASP A 49 1.221 1.090 -13.442 1.00 0.00 C ATOM 672 C ASP A 49 -0.018 0.835 -12.581 1.00 0.00 C ATOM 673 O ASP A 49 -0.824 -0.041 -12.891 1.00 0.00 O ATOM 674 CB ASP A 49 1.192 0.108 -14.614 1.00 0.00 C ATOM 675 CG ASP A 49 2.567 -0.307 -15.145 1.00 0.00 C ATOM 676 OD1 ASP A 49 3.279 0.591 -15.641 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.873 -1.515 -15.040 1.00 0.00 O ATOM 0 H ASP A 49 2.649 -0.068 -12.437 1.00 0.00 H new ATOM 0 HA ASP A 49 1.229 2.110 -13.826 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.653 -0.788 -14.305 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.624 0.556 -15.430 1.00 0.00 H new ATOM 682 N PHE A 50 -0.129 1.615 -11.517 1.00 0.00 N ATOM 683 CA PHE A 50 -1.256 1.485 -10.608 1.00 0.00 C ATOM 684 C PHE A 50 -2.583 1.648 -11.353 1.00 0.00 C ATOM 685 O PHE A 50 -2.860 2.711 -11.907 1.00 0.00 O ATOM 686 CB PHE A 50 -1.127 2.602 -9.571 1.00 0.00 C ATOM 687 CG PHE A 50 0.105 2.475 -8.671 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.724 1.272 -8.530 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.581 3.566 -8.012 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.866 1.154 -7.695 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.723 3.448 -7.178 1.00 0.00 C ATOM 692 CZ PHE A 50 2.342 2.245 -7.036 1.00 0.00 C ATOM 0 H PHE A 50 0.542 2.340 -11.263 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.248 0.498 -10.145 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.090 3.561 -10.088 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.021 2.610 -8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.346 0.406 -9.054 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.090 4.521 -8.124 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.357 0.199 -7.583 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.101 4.314 -6.655 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.211 2.156 -6.401 1.00 0.00 H new ATOM 702 N SER A 51 -3.367 0.581 -11.341 1.00 0.00 N ATOM 703 CA SER A 51 -4.658 0.593 -12.009 1.00 0.00 C ATOM 704 C SER A 51 -5.573 1.633 -11.359 1.00 0.00 C ATOM 705 O SER A 51 -6.715 1.807 -11.779 1.00 0.00 O ATOM 706 CB SER A 51 -5.312 -0.790 -11.968 1.00 0.00 C ATOM 707 OG SER A 51 -5.622 -1.194 -10.637 1.00 0.00 O ATOM 0 H SER A 51 -3.134 -0.298 -10.879 1.00 0.00 H new ATOM 0 HA SER A 51 -4.501 0.859 -13.054 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.224 -0.778 -12.565 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.643 -1.521 -12.422 1.00 0.00 H new ATOM 0 HG SER A 51 -6.039 -2.081 -10.653 1.00 0.00 H new ATOM 713 N VAL A 52 -5.036 2.296 -10.347 1.00 0.00 N ATOM 714 CA VAL A 52 -5.790 3.314 -9.635 1.00 0.00 C ATOM 715 C VAL A 52 -5.199 4.690 -9.944 1.00 0.00 C ATOM 716 O VAL A 52 -4.003 4.812 -10.207 1.00 0.00 O ATOM 717 CB VAL A 52 -5.815 2.997 -8.138 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.341 1.582 -7.886 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.430 3.186 -7.514 1.00 0.00 C ATOM 0 H VAL A 52 -4.087 2.149 -10.002 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.828 3.323 -9.969 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.497 3.699 -7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.349 1.382 -6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.354 1.495 -8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.695 0.860 -8.385 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.476 2.954 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.718 2.519 -8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.109 4.219 -7.647 1.00 0.00 H new ATOM 729 N SER A 53 -6.063 5.694 -9.904 1.00 0.00 N ATOM 730 CA SER A 53 -5.641 7.057 -10.176 1.00 0.00 C ATOM 731 C SER A 53 -5.163 7.726 -8.885 1.00 0.00 C ATOM 732 O SER A 53 -5.370 7.196 -7.795 1.00 0.00 O ATOM 733 CB SER A 53 -6.775 7.869 -10.807 1.00 0.00 C ATOM 734 OG SER A 53 -6.359 9.187 -11.154 1.00 0.00 O ATOM 0 H SER A 53 -7.054 5.590 -9.687 1.00 0.00 H new ATOM 0 HA SER A 53 -4.815 7.024 -10.887 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.135 7.356 -11.699 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.612 7.924 -10.111 1.00 0.00 H new ATOM 0 HG SER A 53 -7.110 9.672 -11.555 1.00 0.00 H new ATOM 740 N SER A 54 -4.534 8.879 -9.052 1.00 0.00 N ATOM 741 CA SER A 54 -4.026 9.625 -7.914 1.00 0.00 C ATOM 742 C SER A 54 -5.178 10.325 -7.190 1.00 0.00 C ATOM 743 O SER A 54 -6.286 10.411 -7.716 1.00 0.00 O ATOM 744 CB SER A 54 -2.975 10.648 -8.351 1.00 0.00 C ATOM 745 OG SER A 54 -3.554 11.918 -8.641 1.00 0.00 O ATOM 0 H SER A 54 -4.364 9.315 -9.958 1.00 0.00 H new ATOM 0 HA SER A 54 -3.549 8.923 -7.230 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.230 10.761 -7.564 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.453 10.277 -9.233 1.00 0.00 H new ATOM 0 HG SER A 54 -2.851 12.543 -8.915 1.00 0.00 H new ATOM 751 N PRO A 55 -4.869 10.819 -5.961 1.00 0.00 N ATOM 752 CA PRO A 55 -3.532 10.675 -5.411 1.00 0.00 C ATOM 753 C PRO A 55 -3.287 9.242 -4.933 1.00 0.00 C ATOM 754 O PRO A 55 -4.233 8.493 -4.697 1.00 0.00 O ATOM 755 CB PRO A 55 -3.456 11.696 -4.288 1.00 0.00 C ATOM 756 CG PRO A 55 -4.895 12.048 -3.946 1.00 0.00 C ATOM 757 CD PRO A 55 -5.780 11.527 -5.066 1.00 0.00 C ATOM 0 HA PRO A 55 -2.752 10.857 -6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.938 11.285 -3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.901 12.581 -4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.181 11.601 -2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.009 13.127 -3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.554 10.862 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.287 12.342 -5.582 1.00 0.00 H new ATOM 765 N TYR A 56 -2.012 8.904 -4.806 1.00 0.00 N ATOM 766 CA TYR A 56 -1.632 7.574 -4.362 1.00 0.00 C ATOM 767 C TYR A 56 -1.135 7.601 -2.915 1.00 0.00 C ATOM 768 O TYR A 56 -0.204 8.336 -2.587 1.00 0.00 O ATOM 769 CB TYR A 56 -0.484 7.138 -5.274 1.00 0.00 C ATOM 770 CG TYR A 56 -0.913 6.832 -6.711 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.228 6.515 -6.986 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.015 6.873 -7.731 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.631 6.228 -8.338 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.389 6.585 -9.083 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.692 6.276 -9.319 1.00 0.00 C ATOM 776 OH TYR A 56 -2.073 6.005 -10.597 1.00 0.00 O ATOM 0 H TYR A 56 -1.230 9.528 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.484 6.896 -4.408 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.272 7.923 -5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.013 6.251 -4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.954 6.482 -6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.044 7.121 -7.516 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.657 5.980 -8.567 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.327 6.614 -9.891 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.654 5.216 -10.605 1.00 0.00 H new ATOM 786 N TYR A 57 -1.779 6.793 -2.087 1.00 0.00 N ATOM 787 CA TYR A 57 -1.414 6.714 -0.682 1.00 0.00 C ATOM 788 C TYR A 57 -0.699 5.397 -0.374 1.00 0.00 C ATOM 789 O TYR A 57 -1.259 4.321 -0.575 1.00 0.00 O ATOM 790 CB TYR A 57 -2.729 6.762 0.099 1.00 0.00 C ATOM 791 CG TYR A 57 -3.523 8.055 -0.097 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.915 9.159 -0.661 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.847 8.119 0.289 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.662 10.376 -0.845 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.594 9.336 0.105 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.964 10.405 -0.453 1.00 0.00 C ATOM 797 OH TYR A 57 -5.669 11.555 -0.628 1.00 0.00 O ATOM 0 H TYR A 57 -2.552 6.187 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.739 7.527 -0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.349 5.918 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.514 6.637 1.160 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.880 9.110 -0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.323 7.255 0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.199 11.247 -1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.630 9.399 0.403 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.188 11.747 0.181 1.00 0.00 H new ATOM 807 N GLU A 58 0.528 5.527 0.110 1.00 0.00 N ATOM 808 CA GLU A 58 1.325 4.360 0.448 1.00 0.00 C ATOM 809 C GLU A 58 0.878 3.782 1.793 1.00 0.00 C ATOM 810 O GLU A 58 0.617 4.527 2.736 1.00 0.00 O ATOM 811 CB GLU A 58 2.816 4.702 0.467 1.00 0.00 C ATOM 812 CG GLU A 58 3.133 5.716 1.569 1.00 0.00 C ATOM 813 CD GLU A 58 3.102 5.054 2.948 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.639 3.930 3.050 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.543 5.687 3.869 1.00 0.00 O ATOM 0 H GLU A 58 0.989 6.422 0.276 1.00 0.00 H new ATOM 0 HA GLU A 58 1.169 3.603 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.399 3.794 0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.112 5.107 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.116 6.154 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.410 6.531 1.537 1.00 0.00 H new ATOM 822 N TRP A 59 0.802 2.460 1.837 1.00 0.00 N ATOM 823 CA TRP A 59 0.390 1.775 3.050 1.00 0.00 C ATOM 824 C TRP A 59 0.756 0.297 2.905 1.00 0.00 C ATOM 825 O TRP A 59 0.600 -0.282 1.831 1.00 0.00 O ATOM 826 CB TRP A 59 -1.097 1.998 3.329 1.00 0.00 C ATOM 827 CG TRP A 59 -1.642 1.175 4.497 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.325 0.023 4.447 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.521 1.489 5.901 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.652 -0.426 5.711 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.147 0.493 6.622 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.903 2.579 6.539 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.216 0.489 8.021 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.981 2.559 7.937 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.608 1.564 8.678 1.00 0.00 C ATOM 0 H TRP A 59 1.019 1.845 1.052 1.00 0.00 H new ATOM 0 HA TRP A 59 0.912 2.180 3.917 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.263 3.055 3.535 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.665 1.755 2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.587 -0.490 3.533 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.169 -1.276 5.935 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.408 3.369 5.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.712 -0.302 8.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.522 3.374 8.477 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.626 1.621 9.756 1.00 0.00 H new ATOM 846 N PRO A 60 1.248 -0.287 4.031 1.00 0.00 N ATOM 847 CA PRO A 60 1.637 -1.687 4.039 1.00 0.00 C ATOM 848 C PRO A 60 0.408 -2.597 4.063 1.00 0.00 C ATOM 849 O PRO A 60 -0.663 -2.189 4.508 1.00 0.00 O ATOM 850 CB PRO A 60 2.517 -1.844 5.269 1.00 0.00 C ATOM 851 CG PRO A 60 2.211 -0.647 6.155 1.00 0.00 C ATOM 852 CD PRO A 60 1.448 0.368 5.320 1.00 0.00 C ATOM 0 HA PRO A 60 2.178 -1.978 3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.302 -2.779 5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.572 -1.867 4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.620 -0.952 7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.133 -0.210 6.538 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.496 0.627 5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.012 1.294 5.210 1.00 0.00 H new ATOM 860 N ILE A 61 0.604 -3.815 3.577 1.00 0.00 N ATOM 861 CA ILE A 61 -0.476 -4.787 3.537 1.00 0.00 C ATOM 862 C ILE A 61 -0.072 -6.024 4.342 1.00 0.00 C ATOM 863 O ILE A 61 0.951 -6.646 4.059 1.00 0.00 O ATOM 864 CB ILE A 61 -0.867 -5.094 2.091 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.257 -5.729 2.021 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.193 -5.961 1.408 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.803 -5.701 0.592 1.00 0.00 C ATOM 0 H ILE A 61 1.494 -4.150 3.208 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.373 -4.381 4.005 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.915 -4.152 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.208 -6.759 2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.938 -5.196 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.110 -6.164 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.148 -5.435 1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.297 -6.902 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.792 -6.159 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.874 -4.669 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.133 -6.256 -0.065 1.00 0.00 H new ATOM 879 N LEU A 62 -0.897 -6.345 5.327 1.00 0.00 N ATOM 880 CA LEU A 62 -0.640 -7.497 6.174 1.00 0.00 C ATOM 881 C LEU A 62 -1.351 -8.721 5.594 1.00 0.00 C ATOM 882 O LEU A 62 -2.568 -8.708 5.410 1.00 0.00 O ATOM 883 CB LEU A 62 -1.023 -7.193 7.624 1.00 0.00 C ATOM 884 CG LEU A 62 -0.167 -6.145 8.338 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.949 -5.479 9.471 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.149 -6.754 8.830 1.00 0.00 C ATOM 0 H LEU A 62 -1.745 -5.827 5.558 1.00 0.00 H new ATOM 0 HA LEU A 62 0.426 -7.726 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.061 -6.860 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.976 -8.121 8.194 1.00 0.00 H new ATOM 0 HG LEU A 62 0.088 -5.365 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.318 -4.738 9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.834 -4.989 9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.254 -6.234 10.196 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.739 -5.988 9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.937 -7.565 9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.710 -7.143 7.980 1.00 0.00 H new ATOM 898 N SER A 63 -0.562 -9.750 5.320 1.00 0.00 N ATOM 899 CA SER A 63 -1.101 -10.979 4.765 1.00 0.00 C ATOM 900 C SER A 63 -2.002 -11.667 5.792 1.00 0.00 C ATOM 901 O SER A 63 -2.631 -12.682 5.492 1.00 0.00 O ATOM 902 CB SER A 63 0.019 -11.923 4.324 1.00 0.00 C ATOM 903 OG SER A 63 0.740 -11.411 3.207 1.00 0.00 O ATOM 0 H SER A 63 0.447 -9.757 5.472 1.00 0.00 H new ATOM 0 HA SER A 63 -1.692 -10.725 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.705 -12.084 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.405 -12.894 4.068 1.00 0.00 H new ATOM 0 HG SER A 63 1.540 -11.956 3.056 1.00 0.00 H new ATOM 909 N SER A 64 -2.035 -11.090 6.984 1.00 0.00 N ATOM 910 CA SER A 64 -2.848 -11.635 8.058 1.00 0.00 C ATOM 911 C SER A 64 -4.223 -10.964 8.065 1.00 0.00 C ATOM 912 O SER A 64 -5.148 -11.443 8.720 1.00 0.00 O ATOM 913 CB SER A 64 -2.162 -11.454 9.414 1.00 0.00 C ATOM 914 OG SER A 64 -1.328 -12.563 9.742 1.00 0.00 O ATOM 0 H SER A 64 -1.511 -10.250 7.230 1.00 0.00 H new ATOM 0 HA SER A 64 -2.973 -12.704 7.884 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.564 -10.543 9.399 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.918 -11.327 10.189 1.00 0.00 H new ATOM 0 HG SER A 64 -0.907 -12.409 10.613 1.00 0.00 H new ATOM 920 N GLY A 65 -4.314 -9.866 7.329 1.00 0.00 N ATOM 921 CA GLY A 65 -5.561 -9.125 7.244 1.00 0.00 C ATOM 922 C GLY A 65 -5.722 -8.181 8.437 1.00 0.00 C ATOM 923 O GLY A 65 -6.827 -8.000 8.945 1.00 0.00 O ATOM 0 H GLY A 65 -3.545 -9.472 6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.585 -8.552 6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.400 -9.821 7.211 1.00 0.00 H new ATOM 927 N ASP A 66 -4.602 -7.604 8.849 1.00 0.00 N ATOM 928 CA ASP A 66 -4.604 -6.684 9.973 1.00 0.00 C ATOM 929 C ASP A 66 -4.368 -5.261 9.461 1.00 0.00 C ATOM 930 O ASP A 66 -4.408 -5.016 8.257 1.00 0.00 O ATOM 931 CB ASP A 66 -3.489 -7.021 10.964 1.00 0.00 C ATOM 932 CG ASP A 66 -3.617 -8.387 11.641 1.00 0.00 C ATOM 933 OD1 ASP A 66 -3.721 -9.383 10.895 1.00 0.00 O ATOM 934 OD2 ASP A 66 -3.607 -8.402 12.891 1.00 0.00 O ATOM 0 H ASP A 66 -3.687 -7.756 8.424 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.568 -6.767 10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.534 -6.980 10.441 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.464 -6.251 11.735 1.00 0.00 H new ATOM 939 N VAL A 67 -4.127 -4.360 10.403 1.00 0.00 N ATOM 940 CA VAL A 67 -3.885 -2.968 10.062 1.00 0.00 C ATOM 941 C VAL A 67 -2.489 -2.566 10.544 1.00 0.00 C ATOM 942 O VAL A 67 -2.267 -2.398 11.741 1.00 0.00 O ATOM 943 CB VAL A 67 -4.994 -2.087 10.641 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.534 -0.633 10.757 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.272 -2.194 9.806 1.00 0.00 C ATOM 0 H VAL A 67 -4.094 -4.567 11.401 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.909 -2.829 8.981 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.219 -2.448 11.645 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.341 -0.028 11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.665 -0.577 11.413 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.268 -0.256 9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.044 -1.558 10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.068 -1.872 8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.616 -3.228 9.798 1.00 0.00 H new ATOM 955 N TYR A 68 -1.586 -2.423 9.585 1.00 0.00 N ATOM 956 CA TYR A 68 -0.218 -2.043 9.895 1.00 0.00 C ATOM 957 C TYR A 68 -0.183 -0.932 10.947 1.00 0.00 C ATOM 958 O TYR A 68 -0.454 0.228 10.640 1.00 0.00 O ATOM 959 CB TYR A 68 0.379 -1.513 8.590 1.00 0.00 C ATOM 960 CG TYR A 68 1.629 -0.651 8.783 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.783 -1.215 9.286 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.601 0.688 8.454 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.960 -0.405 9.467 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.777 1.499 8.635 1.00 0.00 C ATOM 965 CZ TYR A 68 3.899 0.912 9.132 1.00 0.00 C ATOM 966 OH TYR A 68 5.010 1.678 9.303 1.00 0.00 O ATOM 0 H TYR A 68 -1.775 -2.563 8.593 1.00 0.00 H new ATOM 0 HA TYR A 68 0.336 -2.893 10.292 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.628 -2.357 7.947 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.377 -0.927 8.068 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.804 -2.264 9.544 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.697 1.128 8.060 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.870 -0.833 9.860 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.768 2.549 8.382 1.00 0.00 H new ATOM 0 HH TYR A 68 4.745 2.610 9.448 1.00 0.00 H new ATOM 976 N SER A 69 0.153 -1.327 12.167 1.00 0.00 N ATOM 977 CA SER A 69 0.227 -0.378 13.266 1.00 0.00 C ATOM 978 C SER A 69 1.671 0.089 13.457 1.00 0.00 C ATOM 979 O SER A 69 1.941 1.288 13.483 1.00 0.00 O ATOM 980 CB SER A 69 -0.308 -0.994 14.560 1.00 0.00 C ATOM 981 OG SER A 69 0.316 -2.240 14.857 1.00 0.00 O ATOM 0 H SER A 69 0.377 -2.290 12.418 1.00 0.00 H new ATOM 0 HA SER A 69 -0.396 0.482 13.020 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.145 -0.301 15.386 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.385 -1.139 14.474 1.00 0.00 H new ATOM 0 HG SER A 69 -0.052 -2.599 15.691 1.00 0.00 H new ATOM 987 N GLY A 70 2.562 -0.884 13.584 1.00 0.00 N ATOM 988 CA GLY A 70 3.971 -0.587 13.773 1.00 0.00 C ATOM 989 C GLY A 70 4.591 -0.029 12.489 1.00 0.00 C ATOM 990 O GLY A 70 3.913 0.639 11.709 1.00 0.00 O ATOM 0 H GLY A 70 2.335 -1.878 13.560 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.089 0.135 14.581 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.500 -1.492 14.073 1.00 0.00 H new ATOM 994 N GLY A 71 5.870 -0.322 12.311 1.00 0.00 N ATOM 995 CA GLY A 71 6.588 0.142 11.137 1.00 0.00 C ATOM 996 C GLY A 71 7.450 -0.974 10.544 1.00 0.00 C ATOM 997 O GLY A 71 8.534 -0.717 10.024 1.00 0.00 O ATOM 0 H GLY A 71 6.428 -0.876 12.961 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.879 0.495 10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.218 0.990 11.404 1.00 0.00 H new ATOM 1001 N SER A 72 6.935 -2.191 10.640 1.00 0.00 N ATOM 1002 CA SER A 72 7.642 -3.348 10.120 1.00 0.00 C ATOM 1003 C SER A 72 6.685 -4.230 9.315 1.00 0.00 C ATOM 1004 O SER A 72 6.503 -5.405 9.632 1.00 0.00 O ATOM 1005 CB SER A 72 8.285 -4.155 11.251 1.00 0.00 C ATOM 1006 OG SER A 72 7.406 -4.312 12.361 1.00 0.00 O ATOM 0 H SER A 72 6.035 -2.401 11.071 1.00 0.00 H new ATOM 0 HA SER A 72 8.438 -2.995 9.464 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.575 -5.137 10.876 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.197 -3.657 11.579 1.00 0.00 H new ATOM 0 HG SER A 72 7.852 -4.834 13.060 1.00 0.00 H new ATOM 1012 N PRO A 73 6.084 -3.614 8.263 1.00 0.00 N ATOM 1013 CA PRO A 73 5.150 -4.330 7.411 1.00 0.00 C ATOM 1014 C PRO A 73 5.887 -5.288 6.473 1.00 0.00 C ATOM 1015 O PRO A 73 5.564 -5.374 5.289 1.00 0.00 O ATOM 1016 CB PRO A 73 4.383 -3.246 6.671 1.00 0.00 C ATOM 1017 CG PRO A 73 5.226 -1.986 6.785 1.00 0.00 C ATOM 1018 CD PRO A 73 6.276 -2.224 7.859 1.00 0.00 C ATOM 0 HA PRO A 73 4.469 -4.967 7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.229 -3.520 5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.397 -3.097 7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.701 -1.757 5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.602 -1.131 7.044 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.282 -2.059 7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.142 -1.545 8.701 1.00 0.00 H new ATOM 1026 N GLY A 74 6.865 -5.982 7.037 1.00 0.00 N ATOM 1027 CA GLY A 74 7.651 -6.930 6.266 1.00 0.00 C ATOM 1028 C GLY A 74 8.313 -6.248 5.068 1.00 0.00 C ATOM 1029 O GLY A 74 9.406 -5.697 5.188 1.00 0.00 O ATOM 0 H GLY A 74 7.131 -5.907 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.415 -7.377 6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.011 -7.741 5.919 1.00 0.00 H new ATOM 1033 N ALA A 75 7.622 -6.306 3.938 1.00 0.00 N ATOM 1034 CA ALA A 75 8.129 -5.699 2.719 1.00 0.00 C ATOM 1035 C ALA A 75 6.955 -5.343 1.805 1.00 0.00 C ATOM 1036 O ALA A 75 7.037 -4.396 1.025 1.00 0.00 O ATOM 1037 CB ALA A 75 9.120 -6.653 2.050 1.00 0.00 C ATOM 0 H ALA A 75 6.716 -6.764 3.842 1.00 0.00 H new ATOM 0 HA ALA A 75 8.664 -4.776 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.501 -6.199 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.949 -6.852 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.617 -7.589 1.808 1.00 0.00 H new ATOM 1043 N ASP A 76 5.890 -6.121 1.933 1.00 0.00 N ATOM 1044 CA ASP A 76 4.701 -5.898 1.128 1.00 0.00 C ATOM 1045 C ASP A 76 4.086 -4.546 1.497 1.00 0.00 C ATOM 1046 O ASP A 76 3.900 -4.244 2.675 1.00 0.00 O ATOM 1047 CB ASP A 76 3.651 -6.980 1.387 1.00 0.00 C ATOM 1048 CG ASP A 76 4.214 -8.348 1.777 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.963 -8.910 0.950 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.883 -8.800 2.895 1.00 0.00 O ATOM 0 H ASP A 76 5.826 -6.906 2.581 1.00 0.00 H new ATOM 0 HA ASP A 76 4.995 -5.923 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.987 -6.638 2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.043 -7.097 0.490 1.00 0.00 H new ATOM 1055 N ARG A 77 3.789 -3.767 0.467 1.00 0.00 N ATOM 1056 CA ARG A 77 3.199 -2.455 0.667 1.00 0.00 C ATOM 1057 C ARG A 77 2.184 -2.154 -0.437 1.00 0.00 C ATOM 1058 O ARG A 77 2.403 -2.499 -1.598 1.00 0.00 O ATOM 1059 CB ARG A 77 4.272 -1.364 0.674 1.00 0.00 C ATOM 1060 CG ARG A 77 5.486 -1.794 1.500 1.00 0.00 C ATOM 1061 CD ARG A 77 5.316 -1.403 2.969 1.00 0.00 C ATOM 1062 NE ARG A 77 6.641 -1.203 3.597 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.333 -2.169 4.216 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.829 -3.409 4.296 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.528 -1.896 4.757 1.00 0.00 N ATOM 0 H ARG A 77 3.946 -4.020 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 77 2.697 -2.462 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.582 -1.147 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.857 -0.443 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.621 -2.873 1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.387 -1.330 1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.727 -0.489 3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.767 -2.181 3.500 1.00 0.00 H new ATOM 0 HE ARG A 77 7.053 -0.271 3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.919 -3.617 3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.356 -4.144 4.767 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.911 -0.953 4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.055 -2.632 5.228 1.00 0.00 H new ATOM 1079 N VAL A 78 1.095 -1.514 -0.038 1.00 0.00 N ATOM 1080 CA VAL A 78 0.046 -1.162 -0.979 1.00 0.00 C ATOM 1081 C VAL A 78 -0.027 0.359 -1.112 1.00 0.00 C ATOM 1082 O VAL A 78 0.296 1.085 -0.172 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.280 -1.789 -0.542 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.298 -3.291 -0.827 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -1.558 -1.508 0.936 1.00 0.00 C ATOM 0 H VAL A 78 0.916 -1.230 0.925 1.00 0.00 H new ATOM 0 HA VAL A 78 0.270 -1.563 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.076 -1.329 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.252 -3.711 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.168 -3.460 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.487 -3.775 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.506 -1.964 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.756 -1.928 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.610 -0.431 1.098 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.452 0.800 -2.288 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.571 2.223 -2.555 1.00 0.00 C ATOM 1097 C VAL A 79 -1.947 2.510 -3.158 1.00 0.00 C ATOM 1098 O VAL A 79 -2.266 2.032 -4.245 1.00 0.00 O ATOM 1099 CB VAL A 79 0.582 2.685 -3.449 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.438 4.166 -3.807 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.934 2.410 -2.787 1.00 0.00 C ATOM 0 H VAL A 79 -0.718 0.196 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.496 2.794 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 79 0.539 2.110 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.270 4.469 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.501 4.322 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.442 4.763 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.736 2.748 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.991 2.946 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.040 1.340 -2.606 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.727 3.292 -2.425 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.061 3.650 -2.874 1.00 0.00 C ATOM 1113 C PHE A 80 -4.219 5.169 -2.969 1.00 0.00 C ATOM 1114 O PHE A 80 -3.237 5.890 -3.136 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.043 3.112 -1.831 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.947 3.804 -0.470 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.865 3.595 0.325 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.946 4.629 -0.055 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.776 4.237 1.588 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.857 5.272 1.208 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.774 5.062 2.003 1.00 0.00 C ATOM 0 H PHE A 80 -2.460 3.687 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.246 3.230 -3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.058 3.222 -2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.867 2.045 -1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.072 2.940 -0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.807 4.795 -0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.916 4.070 2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.649 5.928 1.537 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.707 5.550 2.964 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.464 5.610 -2.858 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.763 7.031 -2.929 1.00 0.00 C ATOM 1133 C ASN A 81 -6.825 7.377 -1.883 1.00 0.00 C ATOM 1134 O ASN A 81 -7.090 6.587 -0.977 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.316 7.408 -4.305 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.828 6.433 -5.379 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.924 6.717 -6.147 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.476 5.272 -5.388 1.00 0.00 N ATOM 0 H ASN A 81 -6.277 5.009 -2.720 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.839 7.580 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.406 7.407 -4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.005 8.421 -4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.225 4.553 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.224 5.100 -4.716 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.403 8.559 -2.041 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.428 9.019 -1.121 1.00 0.00 C ATOM 1147 C GLU A 82 -9.813 8.590 -1.612 1.00 0.00 C ATOM 1148 O GLU A 82 -10.828 8.982 -1.038 1.00 0.00 O ATOM 1149 CB GLU A 82 -8.358 10.536 -0.937 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.742 10.933 0.490 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.457 12.415 0.743 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -7.257 12.760 0.797 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.445 13.169 0.876 1.00 0.00 O ATOM 0 H GLU A 82 -7.180 9.212 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.250 8.559 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.350 10.887 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.027 11.023 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.800 10.729 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.185 10.325 1.203 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.809 7.789 -2.668 1.00 0.00 N ATOM 1161 CA ASN A 83 -11.052 7.304 -3.242 1.00 0.00 C ATOM 1162 C ASN A 83 -11.341 5.899 -2.706 1.00 0.00 C ATOM 1163 O ASN A 83 -12.492 5.465 -2.681 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.959 7.217 -4.767 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.507 7.340 -5.234 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.970 8.422 -5.400 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.904 6.172 -5.438 1.00 0.00 N ATOM 0 H ASN A 83 -8.965 7.464 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.844 8.001 -2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.375 6.269 -5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.558 8.008 -5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.934 6.147 -5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.412 5.302 -5.280 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.276 5.228 -2.292 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.401 3.882 -1.758 1.00 0.00 C ATOM 1176 C ASN A 84 -9.860 2.881 -2.781 1.00 0.00 C ATOM 1177 O ASN A 84 -10.187 1.696 -2.728 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.864 3.532 -1.483 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.565 3.058 -2.757 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.535 2.319 -2.726 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.021 3.524 -3.879 1.00 0.00 N ATOM 0 H ASN A 84 -9.323 5.591 -2.315 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.838 3.835 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.918 2.753 -0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.381 4.404 -1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.416 3.266 -4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.209 4.139 -3.835 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.042 3.394 -3.689 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.454 2.560 -4.722 1.00 0.00 C ATOM 1190 C GLN A 85 -6.980 2.290 -4.412 1.00 0.00 C ATOM 1191 O GLN A 85 -6.157 3.204 -4.448 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.614 3.200 -6.102 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.093 3.387 -6.451 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.255 4.231 -7.717 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.813 3.802 -8.713 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.737 5.453 -7.622 1.00 0.00 N ATOM 0 H GLN A 85 -8.773 4.377 -3.730 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.983 1.607 -4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.107 4.165 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.135 2.574 -6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.562 2.414 -6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.608 3.869 -5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.283 5.749 -6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.794 6.094 -8.413 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.691 1.033 -4.112 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.331 0.631 -3.795 1.00 0.00 C ATOM 1207 C LEU A 86 -4.683 0.016 -5.037 1.00 0.00 C ATOM 1208 O LEU A 86 -5.367 -0.575 -5.871 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.315 -0.289 -2.573 1.00 0.00 C ATOM 1210 CG LEU A 86 -3.964 -0.917 -2.224 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.030 -1.647 -0.881 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.475 -1.828 -3.350 1.00 0.00 C ATOM 0 H LEU A 86 -7.376 0.278 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.732 1.499 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.663 0.279 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.035 -1.091 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.232 -0.116 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.057 -2.084 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.300 -0.941 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.780 -2.437 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.513 -2.261 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.199 -2.626 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.364 -1.247 -4.266 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.371 0.177 -5.121 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.622 -0.355 -6.248 1.00 0.00 C ATOM 1226 C ALA A 87 -1.158 -0.534 -5.842 1.00 0.00 C ATOM 1227 O ALA A 87 -0.527 -1.526 -6.204 1.00 0.00 O ATOM 1228 CB ALA A 87 -2.784 0.574 -7.452 1.00 0.00 C ATOM 0 H ALA A 87 -2.807 0.668 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.006 -1.333 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.223 0.176 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.839 0.645 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.406 1.565 -7.200 1.00 0.00 H new ATOM 1234 N GLY A 88 -0.660 0.441 -5.095 1.00 0.00 N ATOM 1235 CA GLY A 88 0.718 0.403 -4.637 1.00 0.00 C ATOM 1236 C GLY A 88 1.021 -0.913 -3.917 1.00 0.00 C ATOM 1237 O GLY A 88 1.466 -0.910 -2.771 1.00 0.00 O ATOM 0 H GLY A 88 -1.186 1.262 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.391 0.520 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.905 1.241 -3.965 1.00 0.00 H new ATOM 1241 N VAL A 89 0.767 -2.006 -4.621 1.00 0.00 N ATOM 1242 CA VAL A 89 1.007 -3.327 -4.063 1.00 0.00 C ATOM 1243 C VAL A 89 2.487 -3.680 -4.219 1.00 0.00 C ATOM 1244 O VAL A 89 2.832 -4.837 -4.454 1.00 0.00 O ATOM 1245 CB VAL A 89 0.077 -4.349 -4.720 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.778 -5.698 -4.890 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.221 -4.501 -3.924 1.00 0.00 C ATOM 0 H VAL A 89 0.398 -2.005 -5.572 1.00 0.00 H new ATOM 0 HA VAL A 89 0.780 -3.338 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.181 -3.978 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.095 -6.406 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.660 -5.573 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.079 -6.077 -3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.864 -5.233 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.991 -4.838 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.734 -3.541 -3.878 1.00 0.00 H new ATOM 1257 N ILE A 90 3.323 -2.661 -4.081 1.00 0.00 N ATOM 1258 CA ILE A 90 4.759 -2.849 -4.202 1.00 0.00 C ATOM 1259 C ILE A 90 5.258 -3.706 -3.036 1.00 0.00 C ATOM 1260 O ILE A 90 4.483 -4.067 -2.151 1.00 0.00 O ATOM 1261 CB ILE A 90 5.468 -1.499 -4.321 1.00 0.00 C ATOM 1262 CG1 ILE A 90 5.615 -0.834 -2.950 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.755 -0.592 -5.325 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.611 0.309 -2.786 1.00 0.00 C ATOM 0 H ILE A 90 3.033 -1.703 -3.887 1.00 0.00 H new ATOM 0 HA ILE A 90 4.996 -3.389 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 90 6.474 -1.674 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.461 -1.574 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.629 -0.452 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.279 0.361 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.747 -1.070 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.730 -0.420 -4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.736 0.765 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.783 1.058 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.597 -0.081 -2.879 1.00 0.00 H new ATOM 1276 N THR A 91 6.547 -4.006 -3.073 1.00 0.00 N ATOM 1277 CA THR A 91 7.158 -4.812 -2.030 1.00 0.00 C ATOM 1278 C THR A 91 8.683 -4.711 -2.102 1.00 0.00 C ATOM 1279 O THR A 91 9.244 -4.474 -3.171 1.00 0.00 O ATOM 1280 CB THR A 91 6.637 -6.243 -2.173 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.722 -7.054 -1.733 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.437 -6.651 -3.634 1.00 0.00 C ATOM 0 H THR A 91 7.186 -3.705 -3.809 1.00 0.00 H new ATOM 0 HA THR A 91 6.886 -4.449 -1.039 1.00 0.00 H new ATOM 0 HB THR A 91 5.693 -6.340 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.533 -7.993 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.066 -7.675 -3.678 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.714 -5.983 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.388 -6.586 -4.163 1.00 0.00 H new ATOM 1290 N HIS A 92 9.311 -4.897 -0.951 1.00 0.00 N ATOM 1291 CA HIS A 92 10.760 -4.829 -0.870 1.00 0.00 C ATOM 1292 C HIS A 92 11.368 -6.097 -1.473 1.00 0.00 C ATOM 1293 O HIS A 92 12.560 -6.354 -1.315 1.00 0.00 O ATOM 1294 CB HIS A 92 11.213 -4.583 0.572 1.00 0.00 C ATOM 1295 CG HIS A 92 10.909 -3.194 1.081 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.842 -2.419 1.748 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.768 -2.450 1.014 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.277 -1.264 2.064 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.991 -1.285 1.610 1.00 0.00 N ATOM 0 H HIS A 92 8.843 -5.095 -0.067 1.00 0.00 H new ATOM 0 HA HIS A 92 11.121 -3.982 -1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.730 -5.312 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.287 -4.757 0.640 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.840 -2.757 0.554 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.751 -0.448 2.589 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.313 -0.530 1.712 1.00 0.00 H new ATOM 1308 N THR A 93 10.519 -6.857 -2.150 1.00 0.00 N ATOM 1309 CA THR A 93 10.957 -8.091 -2.778 1.00 0.00 C ATOM 1310 C THR A 93 12.199 -7.842 -3.637 1.00 0.00 C ATOM 1311 O THR A 93 12.087 -7.558 -4.828 1.00 0.00 O ATOM 1312 CB THR A 93 9.779 -8.666 -3.566 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.131 -9.533 -2.639 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.227 -9.595 -4.696 1.00 0.00 C ATOM 0 H THR A 93 9.530 -6.641 -2.277 1.00 0.00 H new ATOM 0 HA THR A 93 11.258 -8.827 -2.033 1.00 0.00 H new ATOM 0 HB THR A 93 9.188 -7.850 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.353 -9.948 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.352 -9.975 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.858 -9.043 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.790 -10.430 -4.279 1.00 0.00 H new ATOM 1322 N GLY A 94 13.354 -7.958 -2.999 1.00 0.00 N ATOM 1323 CA GLY A 94 14.615 -7.749 -3.689 1.00 0.00 C ATOM 1324 C GLY A 94 14.457 -6.737 -4.825 1.00 0.00 C ATOM 1325 O GLY A 94 14.989 -6.934 -5.916 1.00 0.00 O ATOM 0 H GLY A 94 13.443 -8.194 -2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.366 -7.394 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.976 -8.696 -4.089 1.00 0.00 H new ATOM 1329 N ALA A 95 13.722 -5.673 -4.529 1.00 0.00 N ATOM 1330 CA ALA A 95 13.487 -4.630 -5.513 1.00 0.00 C ATOM 1331 C ALA A 95 14.826 -4.021 -5.934 1.00 0.00 C ATOM 1332 O ALA A 95 14.885 -3.236 -6.879 1.00 0.00 O ATOM 1333 CB ALA A 95 12.530 -3.588 -4.932 1.00 0.00 C ATOM 0 H ALA A 95 13.282 -5.512 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 95 13.018 -5.043 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.353 -2.805 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.584 -4.065 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.970 -3.150 -4.036 1.00 0.00 H new ATOM 1339 N SER A 96 15.868 -4.405 -5.211 1.00 0.00 N ATOM 1340 CA SER A 96 17.202 -3.907 -5.498 1.00 0.00 C ATOM 1341 C SER A 96 17.555 -2.773 -4.534 1.00 0.00 C ATOM 1342 O SER A 96 18.048 -1.727 -4.954 1.00 0.00 O ATOM 1343 CB SER A 96 17.311 -3.426 -6.947 1.00 0.00 C ATOM 1344 OG SER A 96 18.662 -3.384 -7.395 1.00 0.00 O ATOM 0 H SER A 96 15.815 -5.055 -4.427 1.00 0.00 H new ATOM 0 HA SER A 96 17.909 -4.725 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.735 -4.089 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.869 -2.433 -7.034 1.00 0.00 H new ATOM 0 HG SER A 96 18.689 -3.074 -8.324 1.00 0.00 H new ATOM 1350 N GLY A 97 17.292 -3.019 -3.259 1.00 0.00 N ATOM 1351 CA GLY A 97 17.575 -2.032 -2.232 1.00 0.00 C ATOM 1352 C GLY A 97 16.300 -1.632 -1.488 1.00 0.00 C ATOM 1353 O GLY A 97 15.534 -2.492 -1.055 1.00 0.00 O ATOM 0 H GLY A 97 16.886 -3.889 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.301 -2.435 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.027 -1.150 -2.685 1.00 0.00 H new ATOM 1357 N ASN A 98 16.111 -0.326 -1.363 1.00 0.00 N ATOM 1358 CA ASN A 98 14.941 0.198 -0.678 1.00 0.00 C ATOM 1359 C ASN A 98 13.861 0.533 -1.709 1.00 0.00 C ATOM 1360 O ASN A 98 12.822 1.093 -1.364 1.00 0.00 O ATOM 1361 CB ASN A 98 15.279 1.479 0.087 1.00 0.00 C ATOM 1362 CG ASN A 98 14.022 2.099 0.699 1.00 0.00 C ATOM 1363 OD1 ASN A 98 13.850 3.307 0.738 1.00 0.00 O ATOM 1364 ND2 ASN A 98 13.155 1.209 1.174 1.00 0.00 N ATOM 0 H ASN A 98 16.748 0.384 -1.724 1.00 0.00 H new ATOM 0 HA ASN A 98 14.593 -0.559 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.000 1.257 0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.751 2.195 -0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.285 1.524 1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.361 0.212 1.110 1.00 0.00 H new ATOM 1371 N ASN A 99 14.144 0.177 -2.953 1.00 0.00 N ATOM 1372 CA ASN A 99 13.209 0.434 -4.036 1.00 0.00 C ATOM 1373 C ASN A 99 11.971 -0.446 -3.853 1.00 0.00 C ATOM 1374 O ASN A 99 12.003 -1.424 -3.108 1.00 0.00 O ATOM 1375 CB ASN A 99 13.832 0.097 -5.392 1.00 0.00 C ATOM 1376 CG ASN A 99 14.961 -0.924 -5.238 1.00 0.00 C ATOM 1377 OD1 ASN A 99 16.008 -0.829 -5.858 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.692 -1.904 -4.381 1.00 0.00 N ATOM 0 H ASN A 99 15.007 -0.287 -3.236 1.00 0.00 H new ATOM 0 HA ASN A 99 12.947 1.492 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.067 -0.300 -6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.219 1.005 -5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.382 -2.635 -4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.796 -1.924 -3.895 1.00 0.00 H new ATOM 1385 N PHE A 100 10.907 -0.066 -4.546 1.00 0.00 N ATOM 1386 CA PHE A 100 9.660 -0.808 -4.470 1.00 0.00 C ATOM 1387 C PHE A 100 9.296 -1.408 -5.829 1.00 0.00 C ATOM 1388 O PHE A 100 9.880 -1.045 -6.850 1.00 0.00 O ATOM 1389 CB PHE A 100 8.573 0.187 -4.057 1.00 0.00 C ATOM 1390 CG PHE A 100 8.506 0.446 -2.551 1.00 0.00 C ATOM 1391 CD1 PHE A 100 8.293 -0.586 -1.692 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.660 1.709 -2.072 1.00 0.00 C ATOM 1393 CE1 PHE A 100 8.231 -0.346 -0.295 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.599 1.949 -0.673 1.00 0.00 C ATOM 1395 CZ PHE A 100 8.385 0.918 0.186 1.00 0.00 C ATOM 0 H PHE A 100 10.883 0.746 -5.163 1.00 0.00 H new ATOM 0 HA PHE A 100 9.756 -1.626 -3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.746 1.133 -4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.606 -0.186 -4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.171 -1.589 -2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.829 2.529 -2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 100 8.062 -1.166 0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.723 2.952 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 100 8.337 1.101 1.249 1.00 0.00 H new ATOM 1405 N VAL A 101 8.332 -2.317 -5.799 1.00 0.00 N ATOM 1406 CA VAL A 101 7.883 -2.972 -7.017 1.00 0.00 C ATOM 1407 C VAL A 101 6.511 -3.603 -6.775 1.00 0.00 C ATOM 1408 O VAL A 101 6.341 -4.393 -5.847 1.00 0.00 O ATOM 1409 CB VAL A 101 8.932 -3.983 -7.484 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.256 -3.290 -7.811 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.132 -5.086 -6.443 1.00 0.00 C ATOM 0 H VAL A 101 7.850 -2.615 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 101 7.769 -2.246 -7.822 1.00 0.00 H new ATOM 0 HB VAL A 101 8.564 -4.448 -8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.983 -4.032 -8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.098 -2.560 -8.605 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.631 -2.784 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.883 -5.791 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.466 -4.644 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.190 -5.610 -6.282 1.00 0.00 H new ATOM 1421 N GLU A 102 5.565 -3.230 -7.624 1.00 0.00 N ATOM 1422 CA GLU A 102 4.213 -3.750 -7.514 1.00 0.00 C ATOM 1423 C GLU A 102 4.229 -5.280 -7.520 1.00 0.00 C ATOM 1424 O GLU A 102 4.745 -5.895 -8.452 1.00 0.00 O ATOM 1425 CB GLU A 102 3.324 -3.207 -8.635 1.00 0.00 C ATOM 1426 CG GLU A 102 4.134 -2.969 -9.911 1.00 0.00 C ATOM 1427 CD GLU A 102 3.222 -2.916 -11.138 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.546 -1.879 -11.298 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.224 -3.917 -11.889 1.00 0.00 O ATOM 0 H GLU A 102 5.708 -2.574 -8.391 1.00 0.00 H new ATOM 0 HA GLU A 102 3.793 -3.415 -6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.518 -3.912 -8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.859 -2.274 -8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.688 -2.034 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.868 -3.765 -10.034 1.00 0.00 H new ATOM 1436 N CYS A 103 3.659 -5.850 -6.468 1.00 0.00 N ATOM 1437 CA CYS A 103 3.602 -7.296 -6.340 1.00 0.00 C ATOM 1438 C CYS A 103 3.053 -7.872 -7.647 1.00 0.00 C ATOM 1439 O CYS A 103 2.707 -7.127 -8.562 1.00 0.00 O ATOM 1440 CB CYS A 103 2.767 -7.724 -5.132 1.00 0.00 C ATOM 1441 SG CYS A 103 3.461 -7.242 -3.509 1.00 0.00 S ATOM 0 H CYS A 103 3.233 -5.336 -5.697 1.00 0.00 H new ATOM 0 HA CYS A 103 4.603 -7.688 -6.164 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.770 -7.294 -5.227 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.651 -8.808 -5.154 1.00 0.00 H new ATOM 0 HG CYS A 103 2.869 -7.914 -2.567 1.00 0.00 H new ATOM 1446 N THR A 104 2.990 -9.195 -7.692 1.00 0.00 N ATOM 1447 CA THR A 104 2.490 -9.881 -8.871 1.00 0.00 C ATOM 1448 C THR A 104 1.119 -10.497 -8.588 1.00 0.00 C ATOM 1449 O THR A 104 0.174 -10.296 -9.349 1.00 0.00 O ATOM 1450 CB THR A 104 3.540 -10.907 -9.304 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.681 -11.758 -8.170 1.00 0.00 O ATOM 1452 CG2 THR A 104 4.927 -10.287 -9.478 1.00 0.00 C ATOM 0 H THR A 104 3.277 -9.810 -6.931 1.00 0.00 H new ATOM 0 HA THR A 104 2.335 -9.186 -9.696 1.00 0.00 H new ATOM 0 HB THR A 104 3.230 -11.371 -10.240 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.198 -11.372 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.634 -11.058 -9.786 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.885 -9.508 -10.240 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.252 -9.852 -8.533 1.00 0.00 H new