USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 914 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 65 CYS SG : rot 158:sc= 0.236 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -172:sc= 0.261 (180deg=0) USER MOD Set 2.1: A 56 ASN : amide:sc= -2.53 K(o=-4.8,f=-0.83) USER MOD Set 2.2: A 78 ASN : amide:sc= -2.32 K(o=-4.8,f=-1.4) USER MOD Set 3.1: A 1 MET N :NH3+ 170:sc= -2.19 (180deg=-2.33!) USER MOD Set 3.2: A 33 ASN : amide:sc= -0.126 K(o=-2.8,f=-4.6!) USER MOD Set 3.3: A 34 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 1 MET CE :methyl -158:sc= 0 (180deg=-0.365) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 5 MET CE :methyl -104:sc= -2.6 (180deg=-5.62!) USER MOD Single : A 10 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.8!) USER MOD Single : A 11 CYS SG : rot -71:sc= 0.8 USER MOD Single : A 16 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.024) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc=-0.00605 (180deg=-0.111) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 64:sc= 0.95 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= -0.722 (180deg=-0.913) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -0.149 (180deg=-0.731) USER MOD Single : A 45 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.9) USER MOD Single : A 58 CYS SG : rot -172:sc= -0.676 USER MOD Single : A 63 TYR OH : rot 121:sc= 0.65 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 70 GLN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 75 CYS SG : rot 170:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 156:sc= -0.0689 (180deg=-0.403) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 89:sc= 0.438 USER MOD Single : A 87 TYR OH : rot 15:sc= -0.039 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= -0.558 (180deg=-1.24) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 109 HIS : no HE2:sc= -0.55 K(o=-0.55,f=-2.8) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.835 0.543 1.162 1.00 13.24 N ATOM 2 CA MET A 1 1.537 0.233 -0.077 1.00 43.44 C ATOM 3 C MET A 1 2.512 -0.922 0.124 1.00 23.25 C ATOM 4 O MET A 1 2.732 -1.372 1.249 1.00 41.23 O ATOM 5 CB MET A 1 2.287 1.466 -0.585 1.00 44.23 C ATOM 6 CG MET A 1 1.405 2.694 -0.739 1.00 74.05 C ATOM 7 SD MET A 1 2.266 4.076 -1.514 1.00 72.23 S ATOM 8 CE MET A 1 0.965 5.306 -1.554 1.00 12.23 C ATOM 0 H1 MET A 1 0.307 1.432 1.049 1.00 13.24 H new ATOM 0 H2 MET A 1 0.173 -0.227 1.388 1.00 13.24 H new ATOM 0 H3 MET A 1 1.523 0.645 1.935 1.00 13.24 H new ATOM 0 HA MET A 1 0.797 -0.065 -0.819 1.00 43.44 H new ATOM 0 HB2 MET A 1 3.099 1.696 0.104 1.00 44.23 H new ATOM 0 HB3 MET A 1 2.742 1.233 -1.548 1.00 44.23 H new ATOM 0 HG2 MET A 1 0.530 2.436 -1.336 1.00 74.05 H new ATOM 0 HG3 MET A 1 1.042 3.001 0.242 1.00 74.05 H new ATOM 0 HE1 MET A 1 1.188 6.047 -2.322 1.00 12.23 H new ATOM 0 HE2 MET A 1 0.015 4.823 -1.781 1.00 12.23 H new ATOM 0 HE3 MET A 1 0.899 5.798 -0.584 1.00 12.23 H new ATOM 18 N ALA A 2 3.094 -1.398 -0.972 1.00 33.44 N ATOM 19 CA ALA A 2 4.046 -2.500 -0.914 1.00 22.21 C ATOM 20 C ALA A 2 3.376 -3.781 -0.428 1.00 54.25 C ATOM 21 O ALA A 2 2.157 -3.927 -0.518 1.00 14.33 O ATOM 22 CB ALA A 2 5.216 -2.140 -0.010 1.00 42.35 C ATOM 0 H ALA A 2 2.923 -1.038 -1.911 1.00 33.44 H new ATOM 0 HA ALA A 2 4.420 -2.677 -1.923 1.00 22.21 H new ATOM 0 HB1 ALA A 2 5.919 -2.972 0.024 1.00 42.35 H new ATOM 0 HB2 ALA A 2 5.719 -1.256 -0.401 1.00 42.35 H new ATOM 0 HB3 ALA A 2 4.849 -1.934 0.995 1.00 42.35 H new ATOM 28 N SER A 3 4.180 -4.707 0.085 1.00 54.43 N ATOM 29 CA SER A 3 3.664 -5.977 0.580 1.00 31.42 C ATOM 30 C SER A 3 2.401 -5.765 1.409 1.00 1.15 C ATOM 31 O SER A 3 1.486 -6.587 1.389 1.00 54.53 O ATOM 32 CB SER A 3 4.725 -6.690 1.420 1.00 25.03 C ATOM 33 OG SER A 3 5.996 -6.627 0.797 1.00 44.05 O ATOM 0 H SER A 3 5.191 -4.601 0.168 1.00 54.43 H new ATOM 0 HA SER A 3 3.413 -6.598 -0.280 1.00 31.42 H new ATOM 0 HB2 SER A 3 4.778 -6.233 2.408 1.00 25.03 H new ATOM 0 HB3 SER A 3 4.439 -7.732 1.565 1.00 25.03 H new ATOM 0 HG SER A 3 6.657 -7.088 1.355 1.00 44.05 H new ATOM 39 N GLY A 4 2.360 -4.655 2.140 1.00 50.41 N ATOM 40 CA GLY A 4 1.206 -4.353 2.967 1.00 41.24 C ATOM 41 C GLY A 4 -0.024 -4.019 2.146 1.00 62.11 C ATOM 42 O GLY A 4 -0.362 -2.849 1.970 1.00 43.03 O ATOM 0 H GLY A 4 3.105 -3.960 2.174 1.00 50.41 H new ATOM 0 HA2 GLY A 4 0.990 -5.207 3.609 1.00 41.24 H new ATOM 0 HA3 GLY A 4 1.441 -3.514 3.621 1.00 41.24 H new ATOM 46 N MET A 5 -0.694 -5.050 1.641 1.00 10.22 N ATOM 47 CA MET A 5 -1.893 -4.859 0.834 1.00 74.52 C ATOM 48 C MET A 5 -3.118 -4.656 1.720 1.00 54.14 C ATOM 49 O MET A 5 -3.178 -5.162 2.839 1.00 22.22 O ATOM 50 CB MET A 5 -2.110 -6.061 -0.088 1.00 21.54 C ATOM 51 CG MET A 5 -0.870 -6.456 -0.873 1.00 22.41 C ATOM 52 SD MET A 5 -0.612 -8.240 -0.913 1.00 22.42 S ATOM 53 CE MET A 5 -0.480 -8.603 0.836 1.00 0.44 C ATOM 0 H MET A 5 -0.427 -6.025 1.776 1.00 10.22 H new ATOM 0 HA MET A 5 -1.753 -3.965 0.227 1.00 74.52 H new ATOM 0 HB2 MET A 5 -2.438 -6.912 0.509 1.00 21.54 H new ATOM 0 HB3 MET A 5 -2.915 -5.832 -0.787 1.00 21.54 H new ATOM 0 HG2 MET A 5 -0.956 -6.082 -1.893 1.00 22.41 H new ATOM 0 HG3 MET A 5 0.003 -5.976 -0.431 1.00 22.41 H new ATOM 0 HE1 MET A 5 0.565 -8.774 1.094 1.00 0.44 H new ATOM 0 HE2 MET A 5 -0.863 -7.761 1.412 1.00 0.44 H new ATOM 0 HE3 MET A 5 -1.061 -9.495 1.067 1.00 0.44 H new ATOM 63 N GLY A 6 -4.095 -3.910 1.210 1.00 24.42 N ATOM 64 CA GLY A 6 -5.305 -3.653 1.969 1.00 25.01 C ATOM 65 C GLY A 6 -6.559 -4.019 1.201 1.00 13.14 C ATOM 66 O GLY A 6 -7.071 -3.220 0.417 1.00 15.23 O ATOM 0 H GLY A 6 -4.069 -3.480 0.286 1.00 24.42 H new ATOM 0 HA2 GLY A 6 -5.274 -4.220 2.899 1.00 25.01 H new ATOM 0 HA3 GLY A 6 -5.343 -2.598 2.240 1.00 25.01 H new ATOM 70 N VAL A 7 -7.056 -5.232 1.425 1.00 2.52 N ATOM 71 CA VAL A 7 -8.258 -5.702 0.748 1.00 31.31 C ATOM 72 C VAL A 7 -9.503 -5.015 1.298 1.00 71.13 C ATOM 73 O VAL A 7 -9.884 -5.226 2.449 1.00 31.52 O ATOM 74 CB VAL A 7 -8.422 -7.227 0.890 1.00 22.24 C ATOM 75 CG1 VAL A 7 -7.379 -7.956 0.057 1.00 71.42 C ATOM 76 CG2 VAL A 7 -8.330 -7.638 2.352 1.00 34.31 C ATOM 0 H VAL A 7 -6.644 -5.906 2.070 1.00 2.52 H new ATOM 0 HA VAL A 7 -8.145 -5.453 -0.307 1.00 31.31 H new ATOM 0 HB VAL A 7 -9.408 -7.505 0.519 1.00 22.24 H new ATOM 0 HG11 VAL A 7 -7.510 -9.032 0.170 1.00 71.42 H new ATOM 0 HG12 VAL A 7 -7.496 -7.684 -0.992 1.00 71.42 H new ATOM 0 HG13 VAL A 7 -6.382 -7.675 0.395 1.00 71.42 H new ATOM 0 HG21 VAL A 7 -8.448 -8.718 2.434 1.00 34.31 H new ATOM 0 HG22 VAL A 7 -7.358 -7.348 2.751 1.00 34.31 H new ATOM 0 HG23 VAL A 7 -9.118 -7.143 2.919 1.00 34.31 H new ATOM 86 N ASP A 8 -10.133 -4.192 0.467 1.00 72.22 N ATOM 87 CA ASP A 8 -11.337 -3.474 0.869 1.00 73.24 C ATOM 88 C ASP A 8 -12.572 -4.065 0.195 1.00 13.25 C ATOM 89 O ASP A 8 -12.462 -4.852 -0.744 1.00 24.02 O ATOM 90 CB ASP A 8 -11.212 -1.990 0.520 1.00 20.25 C ATOM 91 CG ASP A 8 -12.027 -1.108 1.445 1.00 11.33 C ATOM 92 OD1 ASP A 8 -12.284 -1.528 2.593 1.00 32.10 O ATOM 93 OD2 ASP A 8 -12.407 0.004 1.022 1.00 72.44 O ATOM 0 H ASP A 8 -9.830 -4.005 -0.489 1.00 72.22 H new ATOM 0 HA ASP A 8 -11.449 -3.577 1.948 1.00 73.24 H new ATOM 0 HB2 ASP A 8 -10.164 -1.695 0.571 1.00 20.25 H new ATOM 0 HB3 ASP A 8 -11.538 -1.833 -0.508 1.00 20.25 H new ATOM 98 N GLU A 9 -13.747 -3.680 0.684 1.00 53.35 N ATOM 99 CA GLU A 9 -15.003 -4.173 0.130 1.00 64.34 C ATOM 100 C GLU A 9 -15.164 -3.739 -1.325 1.00 25.54 C ATOM 101 O GLU A 9 -16.004 -4.267 -2.051 1.00 72.23 O ATOM 102 CB GLU A 9 -16.185 -3.667 0.958 1.00 34.31 C ATOM 103 CG GLU A 9 -16.090 -4.018 2.433 1.00 24.43 C ATOM 104 CD GLU A 9 -17.115 -5.053 2.855 1.00 55.45 C ATOM 105 OE1 GLU A 9 -17.165 -6.130 2.226 1.00 71.32 O ATOM 106 OE2 GLU A 9 -17.869 -4.784 3.814 1.00 44.41 O ATOM 0 H GLU A 9 -13.855 -3.029 1.462 1.00 53.35 H new ATOM 0 HA GLU A 9 -14.983 -5.262 0.166 1.00 64.34 H new ATOM 0 HB2 GLU A 9 -16.253 -2.584 0.855 1.00 34.31 H new ATOM 0 HB3 GLU A 9 -17.107 -4.084 0.553 1.00 34.31 H new ATOM 0 HG2 GLU A 9 -15.090 -4.394 2.649 1.00 24.43 H new ATOM 0 HG3 GLU A 9 -16.226 -3.114 3.027 1.00 24.43 H new ATOM 113 N ASN A 10 -14.351 -2.774 -1.741 1.00 51.41 N ATOM 114 CA ASN A 10 -14.403 -2.267 -3.108 1.00 34.12 C ATOM 115 C ASN A 10 -13.917 -3.321 -4.098 1.00 32.44 C ATOM 116 O ASN A 10 -14.572 -3.591 -5.105 1.00 54.41 O ATOM 117 CB ASN A 10 -13.555 -1.000 -3.237 1.00 73.32 C ATOM 118 CG ASN A 10 -14.105 0.150 -2.416 1.00 21.23 C ATOM 119 OD1 ASN A 10 -13.399 0.733 -1.593 1.00 65.20 O ATOM 120 ND2 ASN A 10 -15.372 0.481 -2.636 1.00 2.44 N ATOM 0 H ASN A 10 -13.648 -2.327 -1.152 1.00 51.41 H new ATOM 0 HA ASN A 10 -15.440 -2.027 -3.341 1.00 34.12 H new ATOM 0 HB2 ASN A 10 -12.535 -1.215 -2.919 1.00 73.32 H new ATOM 0 HB3 ASN A 10 -13.506 -0.704 -4.285 1.00 73.32 H new ATOM 0 HD21 ASN A 10 -15.797 1.246 -2.113 1.00 2.44 H new ATOM 0 HD22 ASN A 10 -15.920 -0.030 -3.328 1.00 2.44 H new ATOM 127 N CYS A 11 -12.766 -3.915 -3.803 1.00 42.32 N ATOM 128 CA CYS A 11 -12.191 -4.940 -4.667 1.00 51.11 C ATOM 129 C CYS A 11 -13.220 -6.018 -4.991 1.00 15.23 C ATOM 130 O CYS A 11 -13.141 -6.676 -6.028 1.00 25.21 O ATOM 131 CB CYS A 11 -10.967 -5.570 -4.001 1.00 71.10 C ATOM 132 SG CYS A 11 -11.365 -6.842 -2.779 1.00 5.22 S ATOM 0 H CYS A 11 -12.213 -3.705 -2.972 1.00 42.32 H new ATOM 0 HA CYS A 11 -11.884 -4.465 -5.599 1.00 51.11 H new ATOM 0 HB2 CYS A 11 -10.332 -6.007 -4.772 1.00 71.10 H new ATOM 0 HB3 CYS A 11 -10.386 -4.785 -3.517 1.00 71.10 H new ATOM 0 HG CYS A 11 -11.881 -6.284 -1.724 1.00 5.22 H new ATOM 138 N VAL A 12 -14.187 -6.194 -4.095 1.00 23.11 N ATOM 139 CA VAL A 12 -15.232 -7.193 -4.285 1.00 10.35 C ATOM 140 C VAL A 12 -16.295 -6.697 -5.259 1.00 30.44 C ATOM 141 O VAL A 12 -16.772 -7.450 -6.107 1.00 55.24 O ATOM 142 CB VAL A 12 -15.906 -7.560 -2.949 1.00 52.12 C ATOM 143 CG1 VAL A 12 -17.046 -8.541 -3.178 1.00 63.13 C ATOM 144 CG2 VAL A 12 -14.886 -8.133 -1.977 1.00 44.24 C ATOM 0 H VAL A 12 -14.268 -5.658 -3.231 1.00 23.11 H new ATOM 0 HA VAL A 12 -14.752 -8.080 -4.697 1.00 10.35 H new ATOM 0 HB VAL A 12 -16.321 -6.653 -2.510 1.00 52.12 H new ATOM 0 HG11 VAL A 12 -17.510 -8.789 -2.223 1.00 63.13 H new ATOM 0 HG12 VAL A 12 -17.788 -8.089 -3.836 1.00 63.13 H new ATOM 0 HG13 VAL A 12 -16.658 -9.449 -3.639 1.00 63.13 H new ATOM 0 HG21 VAL A 12 -15.380 -8.387 -1.039 1.00 44.24 H new ATOM 0 HG22 VAL A 12 -14.439 -9.030 -2.406 1.00 44.24 H new ATOM 0 HG23 VAL A 12 -14.107 -7.394 -1.789 1.00 44.24 H new ATOM 154 N ALA A 13 -16.661 -5.426 -5.130 1.00 60.35 N ATOM 155 CA ALA A 13 -17.666 -4.829 -6.001 1.00 61.12 C ATOM 156 C ALA A 13 -17.279 -4.978 -7.469 1.00 32.23 C ATOM 157 O ALA A 13 -18.136 -4.945 -8.352 1.00 63.25 O ATOM 158 CB ALA A 13 -17.862 -3.361 -5.652 1.00 32.44 C ATOM 0 H ALA A 13 -16.277 -4.790 -4.431 1.00 60.35 H new ATOM 0 HA ALA A 13 -18.606 -5.357 -5.845 1.00 61.12 H new ATOM 0 HB1 ALA A 13 -18.615 -2.928 -6.310 1.00 32.44 H new ATOM 0 HB2 ALA A 13 -18.192 -3.274 -4.617 1.00 32.44 H new ATOM 0 HB3 ALA A 13 -16.920 -2.828 -5.779 1.00 32.44 H new ATOM 164 N ARG A 14 -15.985 -5.141 -7.721 1.00 63.51 N ATOM 165 CA ARG A 14 -15.485 -5.294 -9.082 1.00 41.52 C ATOM 166 C ARG A 14 -15.849 -6.664 -9.645 1.00 72.22 C ATOM 167 O ARG A 14 -16.563 -6.767 -10.643 1.00 35.44 O ATOM 168 CB ARG A 14 -13.967 -5.104 -9.115 1.00 53.21 C ATOM 169 CG ARG A 14 -13.467 -4.027 -8.166 1.00 54.00 C ATOM 170 CD ARG A 14 -11.949 -3.941 -8.171 1.00 71.00 C ATOM 171 NE ARG A 14 -11.326 -5.255 -8.036 1.00 51.02 N ATOM 172 CZ ARG A 14 -10.254 -5.487 -7.287 1.00 43.52 C ATOM 173 NH1 ARG A 14 -9.689 -4.497 -6.609 1.00 24.30 N ATOM 174 NH2 ARG A 14 -9.745 -6.710 -7.215 1.00 42.22 N ATOM 0 H ARG A 14 -15.263 -5.171 -7.001 1.00 63.51 H new ATOM 0 HA ARG A 14 -15.954 -4.530 -9.702 1.00 41.52 H new ATOM 0 HB2 ARG A 14 -13.486 -6.049 -8.864 1.00 53.21 H new ATOM 0 HB3 ARG A 14 -13.663 -4.851 -10.131 1.00 53.21 H new ATOM 0 HG2 ARG A 14 -13.888 -3.063 -8.453 1.00 54.00 H new ATOM 0 HG3 ARG A 14 -13.817 -4.239 -7.156 1.00 54.00 H new ATOM 0 HD2 ARG A 14 -11.615 -3.475 -9.098 1.00 71.00 H new ATOM 0 HD3 ARG A 14 -11.620 -3.298 -7.355 1.00 71.00 H new ATOM 0 HE ARG A 14 -11.737 -6.038 -8.545 1.00 51.02 H new ATOM 0 HH11 ARG A 14 -10.078 -3.555 -6.662 1.00 24.30 H new ATOM 0 HH12 ARG A 14 -8.866 -4.677 -6.034 1.00 24.30 H new ATOM 0 HH21 ARG A 14 -10.177 -7.474 -7.735 1.00 42.22 H new ATOM 0 HH22 ARG A 14 -8.922 -6.887 -6.639 1.00 42.22 H new ATOM 188 N PHE A 15 -15.353 -7.714 -8.999 1.00 61.33 N ATOM 189 CA PHE A 15 -15.625 -9.079 -9.436 1.00 43.21 C ATOM 190 C PHE A 15 -17.111 -9.402 -9.318 1.00 54.34 C ATOM 191 O PHE A 15 -17.656 -10.166 -10.114 1.00 12.41 O ATOM 192 CB PHE A 15 -14.808 -10.074 -8.609 1.00 11.21 C ATOM 193 CG PHE A 15 -15.635 -10.867 -7.638 1.00 71.42 C ATOM 194 CD1 PHE A 15 -16.224 -12.061 -8.024 1.00 13.25 C ATOM 195 CD2 PHE A 15 -15.823 -10.420 -6.340 1.00 70.24 C ATOM 196 CE1 PHE A 15 -16.986 -12.792 -7.132 1.00 74.44 C ATOM 197 CE2 PHE A 15 -16.584 -11.148 -5.445 1.00 2.24 C ATOM 198 CZ PHE A 15 -17.165 -12.336 -5.841 1.00 74.01 C ATOM 0 H PHE A 15 -14.761 -7.646 -8.171 1.00 61.33 H new ATOM 0 HA PHE A 15 -15.335 -9.163 -10.483 1.00 43.21 H new ATOM 0 HB2 PHE A 15 -14.296 -10.760 -9.283 1.00 11.21 H new ATOM 0 HB3 PHE A 15 -14.038 -9.532 -8.060 1.00 11.21 H new ATOM 0 HD1 PHE A 15 -16.086 -12.424 -9.032 1.00 13.25 H new ATOM 0 HD2 PHE A 15 -15.370 -9.492 -6.024 1.00 70.24 H new ATOM 0 HE1 PHE A 15 -17.441 -13.720 -7.445 1.00 74.44 H new ATOM 0 HE2 PHE A 15 -16.724 -10.788 -4.437 1.00 2.24 H new ATOM 0 HZ PHE A 15 -17.758 -12.908 -5.143 1.00 74.01 H new ATOM 208 N ASN A 16 -17.761 -8.814 -8.319 1.00 51.20 N ATOM 209 CA ASN A 16 -19.185 -9.039 -8.095 1.00 65.24 C ATOM 210 C ASN A 16 -20.010 -8.504 -9.261 1.00 41.35 C ATOM 211 O ASN A 16 -21.193 -8.814 -9.391 1.00 34.34 O ATOM 212 CB ASN A 16 -19.629 -8.372 -6.792 1.00 52.03 C ATOM 213 CG ASN A 16 -21.038 -8.766 -6.392 1.00 60.15 C ATOM 214 OD1 ASN A 16 -21.261 -9.846 -5.845 1.00 64.11 O ATOM 215 ND2 ASN A 16 -21.997 -7.889 -6.665 1.00 74.42 N ATOM 0 H ASN A 16 -17.325 -8.178 -7.652 1.00 51.20 H new ATOM 0 HA ASN A 16 -19.350 -10.114 -8.019 1.00 65.24 H new ATOM 0 HB2 ASN A 16 -18.938 -8.644 -5.994 1.00 52.03 H new ATOM 0 HB3 ASN A 16 -19.576 -7.289 -6.905 1.00 52.03 H new ATOM 0 HD21 ASN A 16 -22.965 -8.099 -6.420 1.00 74.42 H new ATOM 0 HD22 ASN A 16 -21.766 -7.006 -7.120 1.00 74.42 H new ATOM 222 N GLU A 17 -19.376 -7.698 -10.108 1.00 24.13 N ATOM 223 CA GLU A 17 -20.052 -7.120 -11.263 1.00 1.52 C ATOM 224 C GLU A 17 -19.929 -8.033 -12.479 1.00 34.11 C ATOM 225 O GLU A 17 -20.932 -8.469 -13.046 1.00 33.23 O ATOM 226 CB GLU A 17 -19.470 -5.742 -11.585 1.00 45.24 C ATOM 227 CG GLU A 17 -20.000 -4.633 -10.693 1.00 11.52 C ATOM 228 CD GLU A 17 -20.991 -5.137 -9.662 1.00 22.04 C ATOM 229 OE1 GLU A 17 -20.547 -5.711 -8.645 1.00 13.22 O ATOM 230 OE2 GLU A 17 -22.209 -4.959 -9.871 1.00 43.42 O ATOM 0 H GLU A 17 -18.396 -7.431 -10.015 1.00 24.13 H new ATOM 0 HA GLU A 17 -21.108 -7.012 -11.017 1.00 1.52 H new ATOM 0 HB2 GLU A 17 -18.385 -5.785 -11.491 1.00 45.24 H new ATOM 0 HB3 GLU A 17 -19.691 -5.498 -12.624 1.00 45.24 H new ATOM 0 HG2 GLU A 17 -19.165 -4.151 -10.184 1.00 11.52 H new ATOM 0 HG3 GLU A 17 -20.479 -3.873 -11.310 1.00 11.52 H new ATOM 237 N LEU A 18 -18.694 -8.318 -12.875 1.00 21.20 N ATOM 238 CA LEU A 18 -18.439 -9.180 -14.024 1.00 45.44 C ATOM 239 C LEU A 18 -18.890 -10.610 -13.744 1.00 44.51 C ATOM 240 O LEU A 18 -19.186 -11.371 -14.665 1.00 52.54 O ATOM 241 CB LEU A 18 -16.951 -9.162 -14.379 1.00 24.31 C ATOM 242 CG LEU A 18 -15.985 -9.490 -13.239 1.00 52.33 C ATOM 243 CD1 LEU A 18 -15.104 -10.673 -13.609 1.00 52.22 C ATOM 244 CD2 LEU A 18 -15.134 -8.276 -12.896 1.00 13.33 C ATOM 0 H LEU A 18 -17.853 -7.965 -12.418 1.00 21.20 H new ATOM 0 HA LEU A 18 -19.013 -8.798 -14.868 1.00 45.44 H new ATOM 0 HB2 LEU A 18 -16.782 -9.873 -15.188 1.00 24.31 H new ATOM 0 HB3 LEU A 18 -16.702 -8.174 -14.766 1.00 24.31 H new ATOM 0 HG LEU A 18 -16.569 -9.760 -12.359 1.00 52.33 H new ATOM 0 HD11 LEU A 18 -14.424 -10.891 -12.786 1.00 52.22 H new ATOM 0 HD12 LEU A 18 -15.729 -11.545 -13.805 1.00 52.22 H new ATOM 0 HD13 LEU A 18 -14.527 -10.432 -14.502 1.00 52.22 H new ATOM 0 HD21 LEU A 18 -14.453 -8.527 -12.083 1.00 13.33 H new ATOM 0 HD22 LEU A 18 -14.559 -7.976 -13.772 1.00 13.33 H new ATOM 0 HD23 LEU A 18 -15.780 -7.454 -12.587 1.00 13.33 H new ATOM 256 N LYS A 19 -18.941 -10.968 -12.466 1.00 32.32 N ATOM 257 CA LYS A 19 -19.360 -12.305 -12.062 1.00 65.53 C ATOM 258 C LYS A 19 -20.854 -12.502 -12.296 1.00 11.31 C ATOM 259 O LYS A 19 -21.302 -13.602 -12.621 1.00 45.22 O ATOM 260 CB LYS A 19 -19.028 -12.543 -10.587 1.00 43.42 C ATOM 261 CG LYS A 19 -19.548 -13.865 -10.052 1.00 34.14 C ATOM 262 CD LYS A 19 -18.874 -15.046 -10.730 1.00 53.32 C ATOM 263 CE LYS A 19 -19.368 -16.369 -10.167 1.00 35.24 C ATOM 264 NZ LYS A 19 -18.939 -16.566 -8.754 1.00 44.34 N ATOM 0 H LYS A 19 -18.697 -10.351 -11.691 1.00 32.32 H new ATOM 0 HA LYS A 19 -18.817 -13.027 -12.671 1.00 65.53 H new ATOM 0 HB2 LYS A 19 -17.946 -12.508 -10.457 1.00 43.42 H new ATOM 0 HB3 LYS A 19 -19.447 -11.730 -9.993 1.00 43.42 H new ATOM 0 HG2 LYS A 19 -19.377 -13.916 -8.977 1.00 34.14 H new ATOM 0 HG3 LYS A 19 -20.625 -13.922 -10.206 1.00 34.14 H new ATOM 0 HD2 LYS A 19 -19.068 -15.011 -11.802 1.00 53.32 H new ATOM 0 HD3 LYS A 19 -17.794 -14.974 -10.599 1.00 53.32 H new ATOM 0 HE2 LYS A 19 -20.456 -16.404 -10.224 1.00 35.24 H new ATOM 0 HE3 LYS A 19 -18.990 -17.188 -10.779 1.00 35.24 H new ATOM 0 HZ1 LYS A 19 -19.131 -17.547 -8.467 1.00 44.34 H new ATOM 0 HZ2 LYS A 19 -17.920 -16.374 -8.670 1.00 44.34 H new ATOM 0 HZ3 LYS A 19 -19.466 -15.915 -8.137 1.00 44.34 H new ATOM 278 N ILE A 20 -21.620 -11.429 -12.129 1.00 51.14 N ATOM 279 CA ILE A 20 -23.063 -11.484 -12.325 1.00 55.30 C ATOM 280 C ILE A 20 -23.451 -10.968 -13.707 1.00 0.12 C ATOM 281 O ILE A 20 -24.580 -11.162 -14.159 1.00 5.21 O ATOM 282 CB ILE A 20 -23.808 -10.663 -11.256 1.00 11.24 C ATOM 283 CG1 ILE A 20 -23.515 -9.171 -11.430 1.00 63.34 C ATOM 284 CG2 ILE A 20 -23.412 -11.126 -9.862 1.00 34.34 C ATOM 285 CD1 ILE A 20 -24.223 -8.294 -10.422 1.00 4.02 C ATOM 0 H ILE A 20 -21.265 -10.512 -11.859 1.00 51.14 H new ATOM 0 HA ILE A 20 -23.353 -12.531 -12.236 1.00 55.30 H new ATOM 0 HB ILE A 20 -24.879 -10.820 -11.380 1.00 11.24 H new ATOM 0 HG12 ILE A 20 -22.440 -9.008 -11.349 1.00 63.34 H new ATOM 0 HG13 ILE A 20 -23.809 -8.866 -12.434 1.00 63.34 H new ATOM 0 HG21 ILE A 20 -23.947 -10.536 -9.117 1.00 34.34 H new ATOM 0 HG22 ILE A 20 -23.667 -12.179 -9.742 1.00 34.34 H new ATOM 0 HG23 ILE A 20 -22.338 -10.995 -9.726 1.00 34.34 H new ATOM 0 HD11 ILE A 20 -23.969 -7.250 -10.606 1.00 4.02 H new ATOM 0 HD12 ILE A 20 -25.301 -8.427 -10.517 1.00 4.02 H new ATOM 0 HD13 ILE A 20 -23.911 -8.572 -9.415 1.00 4.02 H new ATOM 297 N ARG A 21 -22.507 -10.312 -14.374 1.00 0.24 N ATOM 298 CA ARG A 21 -22.749 -9.768 -15.705 1.00 32.54 C ATOM 299 C ARG A 21 -22.301 -10.751 -16.783 1.00 34.23 C ATOM 300 O ARG A 21 -22.958 -10.901 -17.813 1.00 71.12 O ATOM 301 CB ARG A 21 -22.016 -8.437 -15.877 1.00 24.15 C ATOM 302 CG ARG A 21 -22.620 -7.543 -16.947 1.00 1.55 C ATOM 303 CD ARG A 21 -23.734 -6.675 -16.383 1.00 55.10 C ATOM 304 NE ARG A 21 -24.940 -7.449 -16.099 1.00 52.35 N ATOM 305 CZ ARG A 21 -25.796 -7.846 -17.035 1.00 44.40 C ATOM 306 NH1 ARG A 21 -25.579 -7.544 -18.308 1.00 5.44 N ATOM 307 NH2 ARG A 21 -26.871 -8.547 -16.698 1.00 44.23 N ATOM 0 H ARG A 21 -21.567 -10.144 -14.014 1.00 0.24 H new ATOM 0 HA ARG A 21 -23.821 -9.600 -15.812 1.00 32.54 H new ATOM 0 HB2 ARG A 21 -22.020 -7.904 -14.926 1.00 24.15 H new ATOM 0 HB3 ARG A 21 -20.974 -8.636 -16.127 1.00 24.15 H new ATOM 0 HG2 ARG A 21 -21.843 -6.908 -17.374 1.00 1.55 H new ATOM 0 HG3 ARG A 21 -23.011 -8.157 -17.758 1.00 1.55 H new ATOM 0 HD2 ARG A 21 -23.390 -6.192 -15.469 1.00 55.10 H new ATOM 0 HD3 ARG A 21 -23.971 -5.882 -17.093 1.00 55.10 H new ATOM 0 HE ARG A 21 -25.136 -7.698 -15.130 1.00 52.35 H new ATOM 0 HH11 ARG A 21 -24.753 -7.006 -18.571 1.00 5.44 H new ATOM 0 HH12 ARG A 21 -26.238 -7.850 -19.024 1.00 5.44 H new ATOM 0 HH21 ARG A 21 -27.041 -8.782 -15.720 1.00 44.23 H new ATOM 0 HH22 ARG A 21 -27.527 -8.851 -17.417 1.00 44.23 H new ATOM 321 N LYS A 22 -21.179 -11.418 -16.538 1.00 63.41 N ATOM 322 CA LYS A 22 -20.642 -12.387 -17.486 1.00 70.52 C ATOM 323 C LYS A 22 -20.421 -11.747 -18.853 1.00 12.22 C ATOM 324 O LYS A 22 -20.191 -12.439 -19.845 1.00 41.11 O ATOM 325 CB LYS A 22 -21.590 -13.582 -17.618 1.00 51.42 C ATOM 326 CG LYS A 22 -22.420 -13.561 -18.890 1.00 71.51 C ATOM 327 CD LYS A 22 -23.713 -14.342 -18.724 1.00 72.24 C ATOM 328 CE LYS A 22 -24.776 -13.516 -18.016 1.00 72.34 C ATOM 329 NZ LYS A 22 -26.075 -14.239 -17.933 1.00 35.15 N ATOM 0 H LYS A 22 -20.623 -11.305 -15.690 1.00 63.41 H new ATOM 0 HA LYS A 22 -19.681 -12.733 -17.107 1.00 70.52 H new ATOM 0 HB2 LYS A 22 -21.007 -14.503 -17.589 1.00 51.42 H new ATOM 0 HB3 LYS A 22 -22.259 -13.601 -16.758 1.00 51.42 H new ATOM 0 HG2 LYS A 22 -22.649 -12.530 -19.160 1.00 71.51 H new ATOM 0 HG3 LYS A 22 -21.841 -13.984 -19.711 1.00 71.51 H new ATOM 0 HD2 LYS A 22 -24.082 -14.650 -19.703 1.00 72.24 H new ATOM 0 HD3 LYS A 22 -23.519 -15.252 -18.156 1.00 72.24 H new ATOM 0 HE2 LYS A 22 -24.434 -13.268 -17.011 1.00 72.34 H new ATOM 0 HE3 LYS A 22 -24.918 -12.574 -18.547 1.00 72.34 H new ATOM 0 HZ1 LYS A 22 -26.773 -13.643 -17.444 1.00 35.15 H new ATOM 0 HZ2 LYS A 22 -26.415 -14.454 -18.892 1.00 35.15 H new ATOM 0 HZ3 LYS A 22 -25.946 -15.125 -17.405 1.00 35.15 H new ATOM 343 N THR A 23 -20.491 -10.420 -18.898 1.00 12.12 N ATOM 344 CA THR A 23 -20.299 -9.686 -20.142 1.00 63.11 C ATOM 345 C THR A 23 -19.405 -8.469 -19.930 1.00 73.32 C ATOM 346 O THR A 23 -19.542 -7.459 -20.620 1.00 2.42 O ATOM 347 CB THR A 23 -21.643 -9.225 -20.736 1.00 41.30 C ATOM 348 OG1 THR A 23 -22.655 -10.203 -20.476 1.00 33.44 O ATOM 349 CG2 THR A 23 -21.523 -8.999 -22.236 1.00 1.55 C ATOM 0 H THR A 23 -20.679 -9.832 -18.086 1.00 12.12 H new ATOM 0 HA THR A 23 -19.817 -10.370 -20.841 1.00 63.11 H new ATOM 0 HB THR A 23 -21.919 -8.282 -20.263 1.00 41.30 H new ATOM 0 HG1 THR A 23 -22.802 -10.273 -19.510 1.00 33.44 H new ATOM 0 HG21 THR A 23 -22.485 -8.674 -22.633 1.00 1.55 H new ATOM 0 HG22 THR A 23 -20.773 -8.232 -22.430 1.00 1.55 H new ATOM 0 HG23 THR A 23 -21.226 -9.929 -22.721 1.00 1.55 H new ATOM 357 N VAL A 24 -18.490 -8.573 -18.972 1.00 44.22 N ATOM 358 CA VAL A 24 -17.572 -7.481 -18.671 1.00 2.33 C ATOM 359 C VAL A 24 -18.326 -6.244 -18.196 1.00 33.13 C ATOM 360 O VAL A 24 -19.252 -5.775 -18.858 1.00 70.01 O ATOM 361 CB VAL A 24 -16.720 -7.109 -19.899 1.00 3.54 C ATOM 362 CG1 VAL A 24 -16.735 -8.235 -20.921 1.00 14.31 C ATOM 363 CG2 VAL A 24 -17.215 -5.810 -20.516 1.00 40.44 C ATOM 0 H VAL A 24 -18.365 -9.402 -18.391 1.00 44.22 H new ATOM 0 HA VAL A 24 -16.915 -7.831 -17.875 1.00 2.33 H new ATOM 0 HB VAL A 24 -15.690 -6.961 -19.574 1.00 3.54 H new ATOM 0 HG11 VAL A 24 -16.128 -7.954 -21.781 1.00 14.31 H new ATOM 0 HG12 VAL A 24 -16.329 -9.141 -20.471 1.00 14.31 H new ATOM 0 HG13 VAL A 24 -17.759 -8.419 -21.245 1.00 14.31 H new ATOM 0 HG21 VAL A 24 -16.602 -5.562 -21.382 1.00 40.44 H new ATOM 0 HG22 VAL A 24 -18.253 -5.927 -20.828 1.00 40.44 H new ATOM 0 HG23 VAL A 24 -17.145 -5.008 -19.781 1.00 40.44 H new ATOM 373 N LYS A 25 -17.924 -5.719 -17.043 1.00 53.02 N ATOM 374 CA LYS A 25 -18.560 -4.535 -16.478 1.00 53.23 C ATOM 375 C LYS A 25 -17.583 -3.365 -16.426 1.00 41.11 C ATOM 376 O LYS A 25 -17.888 -2.314 -15.862 1.00 71.02 O ATOM 377 CB LYS A 25 -19.088 -4.835 -15.074 1.00 31.25 C ATOM 378 CG LYS A 25 -19.870 -3.687 -14.459 1.00 61.11 C ATOM 379 CD LYS A 25 -21.284 -4.107 -14.095 1.00 71.23 C ATOM 380 CE LYS A 25 -22.277 -2.977 -14.320 1.00 4.43 C ATOM 381 NZ LYS A 25 -23.686 -3.450 -14.234 1.00 63.42 N ATOM 0 H LYS A 25 -17.160 -6.095 -16.482 1.00 53.02 H new ATOM 0 HA LYS A 25 -19.395 -4.260 -17.122 1.00 53.23 H new ATOM 0 HB2 LYS A 25 -19.727 -5.717 -15.116 1.00 31.25 H new ATOM 0 HB3 LYS A 25 -18.248 -5.081 -14.424 1.00 31.25 H new ATOM 0 HG2 LYS A 25 -19.354 -3.331 -13.567 1.00 61.11 H new ATOM 0 HG3 LYS A 25 -19.906 -2.853 -15.160 1.00 61.11 H new ATOM 0 HD2 LYS A 25 -21.573 -4.971 -14.693 1.00 71.23 H new ATOM 0 HD3 LYS A 25 -21.315 -4.417 -13.051 1.00 71.23 H new ATOM 0 HE2 LYS A 25 -22.111 -2.195 -13.579 1.00 4.43 H new ATOM 0 HE3 LYS A 25 -22.103 -2.531 -15.299 1.00 4.43 H new ATOM 0 HZ1 LYS A 25 -24.331 -2.639 -14.325 1.00 63.42 H new ATOM 0 HZ2 LYS A 25 -23.872 -4.128 -15.000 1.00 63.42 H new ATOM 0 HZ3 LYS A 25 -23.841 -3.914 -13.316 1.00 63.42 H new ATOM 395 N TRP A 26 -16.409 -3.554 -17.018 1.00 53.22 N ATOM 396 CA TRP A 26 -15.388 -2.513 -17.040 1.00 11.30 C ATOM 397 C TRP A 26 -15.269 -1.838 -15.678 1.00 32.22 C ATOM 398 O TRP A 26 -15.802 -0.748 -15.466 1.00 61.34 O ATOM 399 CB TRP A 26 -15.715 -1.472 -18.112 1.00 2.53 C ATOM 400 CG TRP A 26 -14.909 -0.214 -17.984 1.00 22.32 C ATOM 401 CD1 TRP A 26 -13.557 -0.089 -18.132 1.00 51.34 C ATOM 402 CD2 TRP A 26 -15.404 1.094 -17.679 1.00 73.12 C ATOM 403 NE1 TRP A 26 -13.182 1.219 -17.938 1.00 74.05 N ATOM 404 CE2 TRP A 26 -14.297 1.965 -17.660 1.00 71.41 C ATOM 405 CE3 TRP A 26 -16.675 1.615 -17.423 1.00 53.10 C ATOM 406 CZ2 TRP A 26 -14.425 3.325 -17.394 1.00 11.25 C ATOM 407 CZ3 TRP A 26 -16.801 2.966 -17.158 1.00 64.54 C ATOM 408 CH2 TRP A 26 -15.681 3.808 -17.146 1.00 12.30 C ATOM 0 H TRP A 26 -16.141 -4.418 -17.489 1.00 53.22 H new ATOM 0 HA TRP A 26 -14.433 -2.981 -17.277 1.00 11.30 H new ATOM 0 HB2 TRP A 26 -15.542 -1.908 -19.096 1.00 2.53 H new ATOM 0 HB3 TRP A 26 -16.775 -1.223 -18.056 1.00 2.53 H new ATOM 0 HD1 TRP A 26 -12.882 -0.899 -18.367 1.00 51.34 H new ATOM 0 HE1 TRP A 26 -12.228 1.576 -17.992 1.00 74.05 H new ATOM 0 HE3 TRP A 26 -17.544 0.973 -17.432 1.00 53.10 H new ATOM 0 HZ2 TRP A 26 -13.563 3.976 -17.384 1.00 11.25 H new ATOM 0 HZ3 TRP A 26 -17.778 3.379 -16.957 1.00 64.54 H new ATOM 0 HH2 TRP A 26 -15.812 4.859 -16.937 1.00 12.30 H new ATOM 419 N ILE A 27 -14.568 -2.492 -14.758 1.00 10.12 N ATOM 420 CA ILE A 27 -14.379 -1.953 -13.417 1.00 30.44 C ATOM 421 C ILE A 27 -12.938 -1.504 -13.203 1.00 25.33 C ATOM 422 O ILE A 27 -12.021 -2.325 -13.150 1.00 74.02 O ATOM 423 CB ILE A 27 -14.748 -2.988 -12.337 1.00 71.13 C ATOM 424 CG1 ILE A 27 -16.100 -3.630 -12.656 1.00 11.31 C ATOM 425 CG2 ILE A 27 -14.777 -2.334 -10.964 1.00 44.11 C ATOM 426 CD1 ILE A 27 -15.986 -5.017 -13.249 1.00 10.33 C ATOM 0 H ILE A 27 -14.122 -3.395 -14.917 1.00 10.12 H new ATOM 0 HA ILE A 27 -15.042 -1.093 -13.326 1.00 30.44 H new ATOM 0 HB ILE A 27 -13.988 -3.770 -12.329 1.00 71.13 H new ATOM 0 HG12 ILE A 27 -16.693 -3.682 -11.743 1.00 11.31 H new ATOM 0 HG13 ILE A 27 -16.642 -2.990 -13.352 1.00 11.31 H new ATOM 0 HG21 ILE A 27 -15.039 -3.078 -10.212 1.00 44.11 H new ATOM 0 HG22 ILE A 27 -13.795 -1.920 -10.737 1.00 44.11 H new ATOM 0 HG23 ILE A 27 -15.518 -1.535 -10.957 1.00 44.11 H new ATOM 0 HD11 ILE A 27 -16.983 -5.410 -13.450 1.00 10.33 H new ATOM 0 HD12 ILE A 27 -15.421 -4.969 -14.180 1.00 10.33 H new ATOM 0 HD13 ILE A 27 -15.472 -5.672 -12.546 1.00 10.33 H new ATOM 438 N VAL A 28 -12.744 -0.195 -13.078 1.00 24.22 N ATOM 439 CA VAL A 28 -11.414 0.364 -12.866 1.00 62.01 C ATOM 440 C VAL A 28 -11.198 0.729 -11.402 1.00 2.12 C ATOM 441 O VAL A 28 -11.766 1.700 -10.903 1.00 14.34 O ATOM 442 CB VAL A 28 -11.186 1.615 -13.735 1.00 13.32 C ATOM 443 CG1 VAL A 28 -9.706 1.957 -13.802 1.00 64.01 C ATOM 444 CG2 VAL A 28 -11.758 1.406 -15.129 1.00 44.52 C ATOM 0 H VAL A 28 -13.491 0.498 -13.120 1.00 24.22 H new ATOM 0 HA VAL A 28 -10.698 -0.405 -13.155 1.00 62.01 H new ATOM 0 HB VAL A 28 -11.707 2.455 -13.276 1.00 13.32 H new ATOM 0 HG11 VAL A 28 -9.565 2.844 -14.420 1.00 64.01 H new ATOM 0 HG12 VAL A 28 -9.332 2.152 -12.797 1.00 64.01 H new ATOM 0 HG13 VAL A 28 -9.159 1.121 -14.237 1.00 64.01 H new ATOM 0 HG21 VAL A 28 -11.588 2.300 -15.730 1.00 44.52 H new ATOM 0 HG22 VAL A 28 -11.268 0.554 -15.600 1.00 44.52 H new ATOM 0 HG23 VAL A 28 -12.829 1.215 -15.058 1.00 44.52 H new ATOM 454 N PHE A 29 -10.372 -0.056 -10.718 1.00 3.53 N ATOM 455 CA PHE A 29 -10.080 0.185 -9.309 1.00 72.42 C ATOM 456 C PHE A 29 -8.622 0.592 -9.117 1.00 53.14 C ATOM 457 O PHE A 29 -7.787 0.386 -9.998 1.00 24.34 O ATOM 458 CB PHE A 29 -10.385 -1.067 -8.483 1.00 2.30 C ATOM 459 CG PHE A 29 -9.244 -2.043 -8.431 1.00 13.45 C ATOM 460 CD1 PHE A 29 -8.270 -1.938 -7.451 1.00 33.33 C ATOM 461 CD2 PHE A 29 -9.146 -3.064 -9.362 1.00 21.14 C ATOM 462 CE1 PHE A 29 -7.220 -2.835 -7.399 1.00 63.03 C ATOM 463 CE2 PHE A 29 -8.098 -3.964 -9.315 1.00 1.10 C ATOM 464 CZ PHE A 29 -7.133 -3.849 -8.333 1.00 40.55 C ATOM 0 H PHE A 29 -9.893 -0.864 -11.116 1.00 3.53 H new ATOM 0 HA PHE A 29 -10.715 1.002 -8.966 1.00 72.42 H new ATOM 0 HB2 PHE A 29 -10.644 -0.768 -7.467 1.00 2.30 H new ATOM 0 HB3 PHE A 29 -11.260 -1.565 -8.902 1.00 2.30 H new ATOM 0 HD1 PHE A 29 -8.332 -1.146 -6.719 1.00 33.33 H new ATOM 0 HD2 PHE A 29 -9.897 -3.158 -10.133 1.00 21.14 H new ATOM 0 HE1 PHE A 29 -6.468 -2.743 -6.629 1.00 63.03 H new ATOM 0 HE2 PHE A 29 -8.034 -4.757 -10.046 1.00 1.10 H new ATOM 0 HZ PHE A 29 -6.313 -4.550 -8.296 1.00 40.55 H new ATOM 474 N LYS A 30 -8.324 1.173 -7.960 1.00 71.11 N ATOM 475 CA LYS A 30 -6.968 1.610 -7.650 1.00 30.22 C ATOM 476 C LYS A 30 -6.540 1.118 -6.271 1.00 30.21 C ATOM 477 O LYS A 30 -7.335 0.529 -5.538 1.00 22.32 O ATOM 478 CB LYS A 30 -6.876 3.136 -7.710 1.00 3.23 C ATOM 479 CG LYS A 30 -7.775 3.840 -6.708 1.00 21.30 C ATOM 480 CD LYS A 30 -7.279 5.244 -6.404 1.00 35.54 C ATOM 481 CE LYS A 30 -7.319 5.537 -4.912 1.00 11.42 C ATOM 482 NZ LYS A 30 -8.534 6.310 -4.531 1.00 3.22 N ATOM 0 H LYS A 30 -9.004 1.352 -7.221 1.00 71.11 H new ATOM 0 HA LYS A 30 -6.296 1.182 -8.394 1.00 30.22 H new ATOM 0 HB2 LYS A 30 -5.843 3.436 -7.533 1.00 3.23 H new ATOM 0 HB3 LYS A 30 -7.136 3.468 -8.715 1.00 3.23 H new ATOM 0 HG2 LYS A 30 -8.791 3.889 -7.101 1.00 21.30 H new ATOM 0 HG3 LYS A 30 -7.817 3.260 -5.786 1.00 21.30 H new ATOM 0 HD2 LYS A 30 -6.259 5.359 -6.771 1.00 35.54 H new ATOM 0 HD3 LYS A 30 -7.893 5.971 -6.936 1.00 35.54 H new ATOM 0 HE2 LYS A 30 -7.296 4.599 -4.357 1.00 11.42 H new ATOM 0 HE3 LYS A 30 -6.428 6.097 -4.628 1.00 11.42 H new ATOM 0 HZ1 LYS A 30 -8.595 6.373 -3.495 1.00 3.22 H new ATOM 0 HZ2 LYS A 30 -8.477 7.267 -4.933 1.00 3.22 H new ATOM 0 HZ3 LYS A 30 -9.380 5.830 -4.899 1.00 3.22 H new ATOM 496 N ILE A 31 -5.281 1.364 -5.924 1.00 53.42 N ATOM 497 CA ILE A 31 -4.750 0.948 -4.632 1.00 42.53 C ATOM 498 C ILE A 31 -4.116 2.123 -3.895 1.00 23.12 C ATOM 499 O ILE A 31 -3.055 2.611 -4.282 1.00 42.31 O ATOM 500 CB ILE A 31 -3.703 -0.171 -4.788 1.00 13.31 C ATOM 501 CG1 ILE A 31 -2.757 0.143 -5.949 1.00 15.41 C ATOM 502 CG2 ILE A 31 -4.390 -1.511 -5.005 1.00 24.14 C ATOM 503 CD1 ILE A 31 -1.535 -0.747 -5.990 1.00 53.14 C ATOM 0 H ILE A 31 -4.610 1.849 -6.520 1.00 53.42 H new ATOM 0 HA ILE A 31 -5.591 0.569 -4.052 1.00 42.53 H new ATOM 0 HB ILE A 31 -3.115 -0.229 -3.872 1.00 13.31 H new ATOM 0 HG12 ILE A 31 -3.301 0.043 -6.888 1.00 15.41 H new ATOM 0 HG13 ILE A 31 -2.437 1.182 -5.876 1.00 15.41 H new ATOM 0 HG21 ILE A 31 -3.638 -2.292 -5.114 1.00 24.14 H new ATOM 0 HG22 ILE A 31 -5.026 -1.736 -4.149 1.00 24.14 H new ATOM 0 HG23 ILE A 31 -4.999 -1.466 -5.908 1.00 24.14 H new ATOM 0 HD11 ILE A 31 -0.910 -0.468 -6.838 1.00 53.14 H new ATOM 0 HD12 ILE A 31 -0.968 -0.629 -5.067 1.00 53.14 H new ATOM 0 HD13 ILE A 31 -1.845 -1.787 -6.095 1.00 53.14 H new ATOM 515 N GLU A 32 -4.773 2.570 -2.829 1.00 62.11 N ATOM 516 CA GLU A 32 -4.272 3.687 -2.037 1.00 20.24 C ATOM 517 C GLU A 32 -3.165 3.230 -1.091 1.00 65.14 C ATOM 518 O GLU A 32 -2.660 2.113 -1.203 1.00 54.31 O ATOM 519 CB GLU A 32 -5.410 4.324 -1.236 1.00 41.04 C ATOM 520 CG GLU A 32 -5.510 5.830 -1.414 1.00 22.23 C ATOM 521 CD GLU A 32 -5.788 6.553 -0.110 1.00 44.54 C ATOM 522 OE1 GLU A 32 -6.655 6.085 0.656 1.00 61.11 O ATOM 523 OE2 GLU A 32 -5.137 7.589 0.143 1.00 63.12 O ATOM 0 H GLU A 32 -5.652 2.176 -2.494 1.00 62.11 H new ATOM 0 HA GLU A 32 -3.859 4.428 -2.722 1.00 20.24 H new ATOM 0 HB2 GLU A 32 -6.354 3.868 -1.535 1.00 41.04 H new ATOM 0 HB3 GLU A 32 -5.269 4.100 -0.179 1.00 41.04 H new ATOM 0 HG2 GLU A 32 -4.580 6.204 -1.842 1.00 22.23 H new ATOM 0 HG3 GLU A 32 -6.303 6.056 -2.127 1.00 22.23 H new ATOM 530 N ASN A 33 -2.791 4.103 -0.161 1.00 71.32 N ATOM 531 CA ASN A 33 -1.743 3.790 0.803 1.00 3.12 C ATOM 532 C ASN A 33 -2.182 2.669 1.740 1.00 63.33 C ATOM 533 O ASN A 33 -2.766 2.918 2.795 1.00 72.03 O ATOM 534 CB ASN A 33 -1.380 5.035 1.615 1.00 11.21 C ATOM 535 CG ASN A 33 -0.515 4.710 2.817 1.00 22.23 C ATOM 536 OD1 ASN A 33 0.400 3.890 2.734 1.00 42.41 O ATOM 537 ND2 ASN A 33 -0.801 5.352 3.944 1.00 55.24 N ATOM 0 H ASN A 33 -3.198 5.032 -0.055 1.00 71.32 H new ATOM 0 HA ASN A 33 -0.865 3.455 0.251 1.00 3.12 H new ATOM 0 HB2 ASN A 33 -0.855 5.743 0.974 1.00 11.21 H new ATOM 0 HB3 ASN A 33 -2.294 5.526 1.950 1.00 11.21 H new ATOM 0 HD21 ASN A 33 -0.253 5.173 4.786 1.00 55.24 H new ATOM 0 HD22 ASN A 33 -1.568 6.024 3.968 1.00 55.24 H new ATOM 544 N THR A 34 -1.896 1.431 1.347 1.00 3.03 N ATOM 545 CA THR A 34 -2.261 0.271 2.150 1.00 22.12 C ATOM 546 C THR A 34 -3.772 0.070 2.171 1.00 2.53 C ATOM 547 O THR A 34 -4.369 -0.117 3.231 1.00 12.14 O ATOM 548 CB THR A 34 -1.752 0.407 3.598 1.00 52.02 C ATOM 549 OG1 THR A 34 -0.642 1.310 3.644 1.00 22.01 O ATOM 550 CG2 THR A 34 -1.336 -0.946 4.154 1.00 24.04 C ATOM 0 H THR A 34 -1.413 1.207 0.477 1.00 3.03 H new ATOM 0 HA THR A 34 -1.789 -0.595 1.687 1.00 22.12 H new ATOM 0 HB THR A 34 -2.564 0.799 4.210 1.00 52.02 H new ATOM 0 HG1 THR A 34 -0.325 1.392 4.568 1.00 22.01 H new ATOM 0 HG21 THR A 34 -0.980 -0.825 5.177 1.00 24.04 H new ATOM 0 HG22 THR A 34 -2.191 -1.622 4.145 1.00 24.04 H new ATOM 0 HG23 THR A 34 -0.538 -1.362 3.539 1.00 24.04 H new ATOM 558 N LYS A 35 -4.386 0.110 0.994 1.00 43.34 N ATOM 559 CA LYS A 35 -5.828 -0.069 0.875 1.00 21.15 C ATOM 560 C LYS A 35 -6.251 -0.123 -0.589 1.00 33.31 C ATOM 561 O LYS A 35 -5.540 0.364 -1.468 1.00 74.35 O ATOM 562 CB LYS A 35 -6.564 1.068 1.588 1.00 20.44 C ATOM 563 CG LYS A 35 -8.068 0.868 1.660 1.00 21.41 C ATOM 564 CD LYS A 35 -8.425 -0.430 2.365 1.00 61.42 C ATOM 565 CE LYS A 35 -7.906 -0.449 3.794 1.00 20.44 C ATOM 566 NZ LYS A 35 -8.594 -1.479 4.621 1.00 74.43 N ATOM 0 H LYS A 35 -3.907 0.265 0.107 1.00 43.34 H new ATOM 0 HA LYS A 35 -6.091 -1.016 1.346 1.00 21.15 H new ATOM 0 HB2 LYS A 35 -6.170 1.166 2.600 1.00 20.44 H new ATOM 0 HB3 LYS A 35 -6.355 2.005 1.072 1.00 20.44 H new ATOM 0 HG2 LYS A 35 -8.523 1.707 2.188 1.00 21.41 H new ATOM 0 HG3 LYS A 35 -8.484 0.862 0.652 1.00 21.41 H new ATOM 0 HD2 LYS A 35 -9.507 -0.558 2.368 1.00 61.42 H new ATOM 0 HD3 LYS A 35 -8.006 -1.272 1.814 1.00 61.42 H new ATOM 0 HE2 LYS A 35 -6.834 -0.645 3.788 1.00 20.44 H new ATOM 0 HE3 LYS A 35 -8.048 0.533 4.245 1.00 20.44 H new ATOM 0 HZ1 LYS A 35 -8.212 -1.460 5.588 1.00 74.43 H new ATOM 0 HZ2 LYS A 35 -9.614 -1.278 4.648 1.00 74.43 H new ATOM 0 HZ3 LYS A 35 -8.437 -2.419 4.205 1.00 74.43 H new ATOM 580 N ILE A 36 -7.413 -0.717 -0.843 1.00 3.24 N ATOM 581 CA ILE A 36 -7.931 -0.832 -2.200 1.00 41.51 C ATOM 582 C ILE A 36 -9.282 -0.138 -2.333 1.00 53.32 C ATOM 583 O ILE A 36 -10.084 -0.132 -1.399 1.00 31.00 O ATOM 584 CB ILE A 36 -8.079 -2.305 -2.624 1.00 10.24 C ATOM 585 CG1 ILE A 36 -6.715 -2.997 -2.625 1.00 23.41 C ATOM 586 CG2 ILE A 36 -8.728 -2.399 -3.996 1.00 51.34 C ATOM 587 CD1 ILE A 36 -6.779 -4.459 -2.242 1.00 61.52 C ATOM 0 H ILE A 36 -8.013 -1.126 -0.126 1.00 3.24 H new ATOM 0 HA ILE A 36 -7.209 -0.345 -2.855 1.00 41.51 H new ATOM 0 HB ILE A 36 -8.722 -2.812 -1.905 1.00 10.24 H new ATOM 0 HG12 ILE A 36 -6.273 -2.909 -3.617 1.00 23.41 H new ATOM 0 HG13 ILE A 36 -6.052 -2.477 -1.933 1.00 23.41 H new ATOM 0 HG21 ILE A 36 -8.826 -3.446 -4.281 1.00 51.34 H new ATOM 0 HG22 ILE A 36 -9.715 -1.938 -3.964 1.00 51.34 H new ATOM 0 HG23 ILE A 36 -8.109 -1.880 -4.728 1.00 51.34 H new ATOM 0 HD11 ILE A 36 -5.776 -4.885 -2.264 1.00 61.52 H new ATOM 0 HD12 ILE A 36 -7.192 -4.554 -1.238 1.00 61.52 H new ATOM 0 HD13 ILE A 36 -7.415 -4.993 -2.948 1.00 61.52 H new ATOM 599 N VAL A 37 -9.529 0.446 -3.502 1.00 35.42 N ATOM 600 CA VAL A 37 -10.785 1.140 -3.759 1.00 54.11 C ATOM 601 C VAL A 37 -11.128 1.125 -5.245 1.00 24.53 C ATOM 602 O VAL A 37 -10.252 0.955 -6.093 1.00 24.01 O ATOM 603 CB VAL A 37 -10.729 2.600 -3.272 1.00 14.13 C ATOM 604 CG1 VAL A 37 -10.760 2.657 -1.752 1.00 52.50 C ATOM 605 CG2 VAL A 37 -9.490 3.296 -3.815 1.00 32.53 C ATOM 0 H VAL A 37 -8.876 0.452 -4.285 1.00 35.42 H new ATOM 0 HA VAL A 37 -11.559 0.609 -3.205 1.00 54.11 H new ATOM 0 HB VAL A 37 -11.607 3.125 -3.650 1.00 14.13 H new ATOM 0 HG11 VAL A 37 -10.720 3.696 -1.426 1.00 52.50 H new ATOM 0 HG12 VAL A 37 -11.680 2.198 -1.389 1.00 52.50 H new ATOM 0 HG13 VAL A 37 -9.903 2.117 -1.350 1.00 52.50 H new ATOM 0 HG21 VAL A 37 -9.467 4.327 -3.461 1.00 32.53 H new ATOM 0 HG22 VAL A 37 -8.598 2.773 -3.469 1.00 32.53 H new ATOM 0 HG23 VAL A 37 -9.516 3.287 -4.905 1.00 32.53 H new ATOM 615 N VAL A 38 -12.408 1.303 -5.553 1.00 52.13 N ATOM 616 CA VAL A 38 -12.867 1.311 -6.937 1.00 51.42 C ATOM 617 C VAL A 38 -13.020 2.736 -7.457 1.00 1.40 C ATOM 618 O VAL A 38 -13.434 3.633 -6.724 1.00 14.42 O ATOM 619 CB VAL A 38 -14.212 0.575 -7.087 1.00 4.10 C ATOM 620 CG1 VAL A 38 -15.227 1.109 -6.088 1.00 72.13 C ATOM 621 CG2 VAL A 38 -14.733 0.703 -8.510 1.00 50.33 C ATOM 0 H VAL A 38 -13.146 1.444 -4.863 1.00 52.13 H new ATOM 0 HA VAL A 38 -12.110 0.792 -7.524 1.00 51.42 H new ATOM 0 HB VAL A 38 -14.053 -0.483 -6.877 1.00 4.10 H new ATOM 0 HG11 VAL A 38 -16.171 0.577 -6.209 1.00 72.13 H new ATOM 0 HG12 VAL A 38 -14.854 0.960 -5.075 1.00 72.13 H new ATOM 0 HG13 VAL A 38 -15.385 2.173 -6.263 1.00 72.13 H new ATOM 0 HG21 VAL A 38 -15.684 0.177 -8.598 1.00 50.33 H new ATOM 0 HG22 VAL A 38 -14.877 1.756 -8.751 1.00 50.33 H new ATOM 0 HG23 VAL A 38 -14.012 0.267 -9.202 1.00 50.33 H new ATOM 631 N GLU A 39 -12.682 2.937 -8.727 1.00 74.42 N ATOM 632 CA GLU A 39 -12.782 4.254 -9.345 1.00 31.32 C ATOM 633 C GLU A 39 -13.939 4.302 -10.339 1.00 42.20 C ATOM 634 O GLU A 39 -14.779 5.201 -10.288 1.00 72.44 O ATOM 635 CB GLU A 39 -11.473 4.611 -10.051 1.00 63.43 C ATOM 636 CG GLU A 39 -10.250 4.506 -9.156 1.00 23.32 C ATOM 637 CD GLU A 39 -10.095 5.702 -8.238 1.00 4.35 C ATOM 638 OE1 GLU A 39 -9.464 6.695 -8.657 1.00 10.10 O ATOM 639 OE2 GLU A 39 -10.605 5.646 -7.099 1.00 24.52 O ATOM 0 H GLU A 39 -12.337 2.205 -9.348 1.00 74.42 H new ATOM 0 HA GLU A 39 -12.972 4.983 -8.558 1.00 31.32 H new ATOM 0 HB2 GLU A 39 -11.342 3.952 -10.910 1.00 63.43 H new ATOM 0 HB3 GLU A 39 -11.544 5.628 -10.437 1.00 63.43 H new ATOM 0 HG2 GLU A 39 -10.320 3.599 -8.556 1.00 23.32 H new ATOM 0 HG3 GLU A 39 -9.358 4.410 -9.775 1.00 23.32 H new ATOM 646 N LYS A 40 -13.975 3.330 -11.243 1.00 61.55 N ATOM 647 CA LYS A 40 -15.027 3.259 -12.250 1.00 74.30 C ATOM 648 C LYS A 40 -15.685 1.882 -12.254 1.00 12.54 C ATOM 649 O LYS A 40 -15.099 0.903 -11.793 1.00 62.45 O ATOM 650 CB LYS A 40 -14.457 3.567 -13.636 1.00 72.34 C ATOM 651 CG LYS A 40 -14.271 5.051 -13.902 1.00 33.43 C ATOM 652 CD LYS A 40 -12.836 5.373 -14.284 1.00 15.42 C ATOM 653 CE LYS A 40 -11.925 5.384 -13.067 1.00 5.34 C ATOM 654 NZ LYS A 40 -10.814 6.366 -13.214 1.00 73.31 N ATOM 0 H LYS A 40 -13.287 2.579 -11.299 1.00 61.55 H new ATOM 0 HA LYS A 40 -15.783 4.003 -12.001 1.00 74.30 H new ATOM 0 HB2 LYS A 40 -13.496 3.064 -13.744 1.00 72.34 H new ATOM 0 HB3 LYS A 40 -15.122 3.151 -14.393 1.00 72.34 H new ATOM 0 HG2 LYS A 40 -14.941 5.365 -14.703 1.00 33.43 H new ATOM 0 HG3 LYS A 40 -14.548 5.618 -13.014 1.00 33.43 H new ATOM 0 HD2 LYS A 40 -12.476 4.637 -15.003 1.00 15.42 H new ATOM 0 HD3 LYS A 40 -12.799 6.345 -14.777 1.00 15.42 H new ATOM 0 HE2 LYS A 40 -12.509 5.626 -12.179 1.00 5.34 H new ATOM 0 HE3 LYS A 40 -11.511 4.387 -12.914 1.00 5.34 H new ATOM 0 HZ1 LYS A 40 -10.216 6.343 -12.364 1.00 73.31 H new ATOM 0 HZ2 LYS A 40 -10.242 6.121 -14.047 1.00 73.31 H new ATOM 0 HZ3 LYS A 40 -11.208 7.321 -13.334 1.00 73.31 H new ATOM 668 N ASP A 41 -16.905 1.816 -12.776 1.00 44.13 N ATOM 669 CA ASP A 41 -17.641 0.559 -12.842 1.00 41.01 C ATOM 670 C ASP A 41 -19.046 0.780 -13.394 1.00 44.34 C ATOM 671 O ASP A 41 -19.912 1.328 -12.714 1.00 31.21 O ATOM 672 CB ASP A 41 -17.720 -0.084 -11.456 1.00 43.34 C ATOM 673 CG ASP A 41 -18.820 -1.123 -11.362 1.00 5.21 C ATOM 674 OD1 ASP A 41 -18.548 -2.303 -11.665 1.00 64.11 O ATOM 675 OD2 ASP A 41 -19.952 -0.756 -10.985 1.00 55.45 O ATOM 0 H ASP A 41 -17.405 2.618 -13.159 1.00 44.13 H new ATOM 0 HA ASP A 41 -17.107 -0.111 -13.515 1.00 41.01 H new ATOM 0 HB2 ASP A 41 -16.763 -0.550 -11.220 1.00 43.34 H new ATOM 0 HB3 ASP A 41 -17.891 0.691 -10.708 1.00 43.34 H new ATOM 680 N GLY A 42 -19.263 0.351 -14.634 1.00 52.40 N ATOM 681 CA GLY A 42 -20.564 0.513 -15.257 1.00 62.23 C ATOM 682 C GLY A 42 -20.558 0.119 -16.721 1.00 51.31 C ATOM 683 O GLY A 42 -21.263 0.716 -17.535 1.00 41.13 O ATOM 0 H GLY A 42 -18.562 -0.105 -15.218 1.00 52.40 H new ATOM 0 HA2 GLY A 42 -21.297 -0.093 -14.724 1.00 62.23 H new ATOM 0 HA3 GLY A 42 -20.881 1.552 -15.165 1.00 62.23 H new ATOM 687 N LYS A 43 -19.759 -0.887 -17.058 1.00 73.54 N ATOM 688 CA LYS A 43 -19.663 -1.361 -18.434 1.00 52.21 C ATOM 689 C LYS A 43 -19.101 -0.274 -19.345 1.00 73.34 C ATOM 690 O LYS A 43 -19.183 0.913 -19.035 1.00 1.32 O ATOM 691 CB LYS A 43 -21.038 -1.805 -18.940 1.00 2.24 C ATOM 692 CG LYS A 43 -21.074 -3.246 -19.417 1.00 63.14 C ATOM 693 CD LYS A 43 -22.197 -4.026 -18.754 1.00 5.32 C ATOM 694 CE LYS A 43 -22.370 -5.399 -19.384 1.00 41.03 C ATOM 695 NZ LYS A 43 -22.552 -5.313 -20.860 1.00 12.22 N ATOM 0 H LYS A 43 -19.168 -1.391 -16.397 1.00 73.54 H new ATOM 0 HA LYS A 43 -18.984 -2.213 -18.452 1.00 52.21 H new ATOM 0 HB2 LYS A 43 -21.768 -1.677 -18.141 1.00 2.24 H new ATOM 0 HB3 LYS A 43 -21.343 -1.153 -19.758 1.00 2.24 H new ATOM 0 HG2 LYS A 43 -21.204 -3.269 -20.499 1.00 63.14 H new ATOM 0 HG3 LYS A 43 -20.120 -3.726 -19.200 1.00 63.14 H new ATOM 0 HD2 LYS A 43 -21.986 -4.137 -17.690 1.00 5.32 H new ATOM 0 HD3 LYS A 43 -23.129 -3.466 -18.837 1.00 5.32 H new ATOM 0 HE2 LYS A 43 -21.498 -6.014 -19.161 1.00 41.03 H new ATOM 0 HE3 LYS A 43 -23.232 -5.896 -18.940 1.00 41.03 H new ATOM 0 HZ1 LYS A 43 -23.040 -6.166 -21.200 1.00 12.22 H new ATOM 0 HZ2 LYS A 43 -23.121 -4.474 -21.091 1.00 12.22 H new ATOM 0 HZ3 LYS A 43 -21.623 -5.239 -21.321 1.00 12.22 H new ATOM 709 N GLY A 44 -18.532 -0.690 -20.473 1.00 1.41 N ATOM 710 CA GLY A 44 -17.966 0.261 -21.412 1.00 54.13 C ATOM 711 C GLY A 44 -16.791 -0.311 -22.179 1.00 43.11 C ATOM 712 O GLY A 44 -16.451 0.172 -23.258 1.00 43.31 O ATOM 0 H GLY A 44 -18.453 -1.668 -20.753 1.00 1.41 H new ATOM 0 HA2 GLY A 44 -18.737 0.575 -22.116 1.00 54.13 H new ATOM 0 HA3 GLY A 44 -17.645 1.152 -20.873 1.00 54.13 H new ATOM 716 N ASN A 45 -16.167 -1.343 -21.620 1.00 1.32 N ATOM 717 CA ASN A 45 -15.020 -1.980 -22.257 1.00 55.14 C ATOM 718 C ASN A 45 -13.838 -1.019 -22.335 1.00 23.31 C ATOM 719 O ASN A 45 -13.848 0.045 -21.717 1.00 24.34 O ATOM 720 CB ASN A 45 -15.394 -2.461 -23.661 1.00 24.51 C ATOM 721 CG ASN A 45 -16.799 -3.028 -23.723 1.00 50.43 C ATOM 722 OD1 ASN A 45 -17.282 -3.626 -22.762 1.00 74.01 O ATOM 723 ND2 ASN A 45 -17.462 -2.841 -24.859 1.00 11.34 N ATOM 0 H ASN A 45 -16.436 -1.756 -20.727 1.00 1.32 H new ATOM 0 HA ASN A 45 -14.728 -2.838 -21.651 1.00 55.14 H new ATOM 0 HB2 ASN A 45 -15.309 -1.630 -24.361 1.00 24.51 H new ATOM 0 HB3 ASN A 45 -14.683 -3.222 -23.982 1.00 24.51 H new ATOM 0 HD21 ASN A 45 -18.412 -3.199 -24.960 1.00 11.34 H new ATOM 0 HD22 ASN A 45 -17.021 -2.339 -25.630 1.00 11.34 H new ATOM 730 N ALA A 46 -12.820 -1.402 -23.099 1.00 73.53 N ATOM 731 CA ALA A 46 -11.631 -0.575 -23.260 1.00 55.41 C ATOM 732 C ALA A 46 -11.995 0.813 -23.778 1.00 3.02 C ATOM 733 O ALA A 46 -11.241 1.770 -23.599 1.00 22.33 O ATOM 734 CB ALA A 46 -10.642 -1.248 -24.200 1.00 33.33 C ATOM 0 H ALA A 46 -12.795 -2.281 -23.616 1.00 73.53 H new ATOM 0 HA ALA A 46 -11.164 -0.459 -22.282 1.00 55.41 H new ATOM 0 HB1 ALA A 46 -9.759 -0.619 -24.311 1.00 33.33 H new ATOM 0 HB2 ALA A 46 -10.350 -2.214 -23.789 1.00 33.33 H new ATOM 0 HB3 ALA A 46 -11.108 -1.394 -25.175 1.00 33.33 H new ATOM 740 N ASP A 47 -13.153 0.915 -24.420 1.00 42.05 N ATOM 741 CA ASP A 47 -13.616 2.186 -24.964 1.00 51.41 C ATOM 742 C ASP A 47 -13.600 3.273 -23.894 1.00 13.23 C ATOM 743 O ASP A 47 -13.163 4.396 -24.143 1.00 21.02 O ATOM 744 CB ASP A 47 -15.027 2.037 -25.536 1.00 43.11 C ATOM 745 CG ASP A 47 -15.369 3.133 -26.526 1.00 11.21 C ATOM 746 OD1 ASP A 47 -14.495 3.487 -27.344 1.00 40.41 O ATOM 747 OD2 ASP A 47 -16.511 3.637 -26.482 1.00 0.51 O ATOM 0 H ASP A 47 -13.789 0.133 -24.577 1.00 42.05 H new ATOM 0 HA ASP A 47 -12.937 2.479 -25.765 1.00 51.41 H new ATOM 0 HB2 ASP A 47 -15.117 1.068 -26.026 1.00 43.11 H new ATOM 0 HB3 ASP A 47 -15.750 2.050 -24.720 1.00 43.11 H new ATOM 752 N GLU A 48 -14.081 2.931 -22.703 1.00 33.34 N ATOM 753 CA GLU A 48 -14.124 3.879 -21.595 1.00 62.34 C ATOM 754 C GLU A 48 -12.789 3.913 -20.857 1.00 45.44 C ATOM 755 O GLU A 48 -12.263 4.984 -20.553 1.00 4.13 O ATOM 756 CB GLU A 48 -15.247 3.511 -20.623 1.00 41.42 C ATOM 757 CG GLU A 48 -16.639 3.712 -21.198 1.00 31.11 C ATOM 758 CD GLU A 48 -17.668 4.038 -20.133 1.00 52.31 C ATOM 759 OE1 GLU A 48 -17.493 5.057 -19.433 1.00 13.45 O ATOM 760 OE2 GLU A 48 -18.648 3.275 -20.000 1.00 43.41 O ATOM 0 H GLU A 48 -14.446 2.005 -22.480 1.00 33.34 H new ATOM 0 HA GLU A 48 -14.319 4.870 -22.005 1.00 62.34 H new ATOM 0 HB2 GLU A 48 -15.132 2.468 -20.327 1.00 41.42 H new ATOM 0 HB3 GLU A 48 -15.146 4.112 -19.719 1.00 41.42 H new ATOM 0 HG2 GLU A 48 -16.612 4.518 -21.931 1.00 31.11 H new ATOM 0 HG3 GLU A 48 -16.943 2.809 -21.728 1.00 31.11 H new ATOM 767 N PHE A 49 -12.246 2.734 -20.573 1.00 2.33 N ATOM 768 CA PHE A 49 -10.973 2.629 -19.869 1.00 62.41 C ATOM 769 C PHE A 49 -9.899 3.464 -20.560 1.00 23.14 C ATOM 770 O PHE A 49 -9.149 4.191 -19.908 1.00 40.53 O ATOM 771 CB PHE A 49 -10.528 1.167 -19.793 1.00 63.44 C ATOM 772 CG PHE A 49 -9.318 0.952 -18.930 1.00 2.44 C ATOM 773 CD1 PHE A 49 -8.052 1.270 -19.396 1.00 13.42 C ATOM 774 CD2 PHE A 49 -9.446 0.434 -17.651 1.00 61.53 C ATOM 775 CE1 PHE A 49 -6.937 1.073 -18.603 1.00 54.52 C ATOM 776 CE2 PHE A 49 -8.334 0.235 -16.854 1.00 35.31 C ATOM 777 CZ PHE A 49 -7.079 0.556 -17.330 1.00 43.23 C ATOM 0 H PHE A 49 -12.667 1.838 -20.819 1.00 2.33 H new ATOM 0 HA PHE A 49 -11.112 3.013 -18.858 1.00 62.41 H new ATOM 0 HB2 PHE A 49 -11.351 0.565 -19.407 1.00 63.44 H new ATOM 0 HB3 PHE A 49 -10.315 0.808 -20.800 1.00 63.44 H new ATOM 0 HD1 PHE A 49 -7.935 1.676 -20.390 1.00 13.42 H new ATOM 0 HD2 PHE A 49 -10.426 0.183 -17.272 1.00 61.53 H new ATOM 0 HE1 PHE A 49 -5.956 1.323 -18.978 1.00 54.52 H new ATOM 0 HE2 PHE A 49 -8.447 -0.171 -15.860 1.00 35.31 H new ATOM 0 HZ PHE A 49 -6.209 0.403 -16.708 1.00 43.23 H new ATOM 787 N ARG A 50 -9.831 3.353 -21.882 1.00 64.02 N ATOM 788 CA ARG A 50 -8.848 4.096 -22.662 1.00 22.14 C ATOM 789 C ARG A 50 -9.020 5.599 -22.463 1.00 24.05 C ATOM 790 O ARG A 50 -8.077 6.370 -22.637 1.00 13.40 O ATOM 791 CB ARG A 50 -8.975 3.750 -24.146 1.00 72.52 C ATOM 792 CG ARG A 50 -10.255 4.265 -24.784 1.00 61.32 C ATOM 793 CD ARG A 50 -9.971 5.376 -25.782 1.00 54.44 C ATOM 794 NE ARG A 50 -11.033 5.502 -26.777 1.00 41.35 N ATOM 795 CZ ARG A 50 -10.957 6.301 -27.836 1.00 42.01 C ATOM 796 NH1 ARG A 50 -9.875 7.040 -28.036 1.00 44.45 N ATOM 797 NH2 ARG A 50 -11.964 6.361 -28.697 1.00 75.14 N ATOM 0 H ARG A 50 -10.445 2.756 -22.436 1.00 64.02 H new ATOM 0 HA ARG A 50 -7.855 3.811 -22.314 1.00 22.14 H new ATOM 0 HB2 ARG A 50 -8.120 4.164 -24.681 1.00 72.52 H new ATOM 0 HB3 ARG A 50 -8.931 2.667 -24.263 1.00 72.52 H new ATOM 0 HG2 ARG A 50 -10.768 3.445 -25.287 1.00 61.32 H new ATOM 0 HG3 ARG A 50 -10.927 4.634 -24.009 1.00 61.32 H new ATOM 0 HD2 ARG A 50 -9.858 6.321 -25.250 1.00 54.44 H new ATOM 0 HD3 ARG A 50 -9.024 5.178 -26.285 1.00 54.44 H new ATOM 0 HE ARG A 50 -11.879 4.946 -26.652 1.00 41.35 H new ATOM 0 HH11 ARG A 50 -9.098 6.996 -27.376 1.00 44.45 H new ATOM 0 HH12 ARG A 50 -9.819 7.653 -28.850 1.00 44.45 H new ATOM 0 HH21 ARG A 50 -12.798 5.793 -28.547 1.00 75.14 H new ATOM 0 HH22 ARG A 50 -11.904 6.975 -29.509 1.00 75.14 H new ATOM 811 N GLY A 51 -10.231 6.008 -22.096 1.00 62.23 N ATOM 812 CA GLY A 51 -10.504 7.417 -21.880 1.00 73.53 C ATOM 813 C GLY A 51 -10.819 7.730 -20.431 1.00 40.41 C ATOM 814 O GLY A 51 -11.270 8.830 -20.111 1.00 72.40 O ATOM 0 H GLY A 51 -11.027 5.389 -21.945 1.00 62.23 H new ATOM 0 HA2 GLY A 51 -9.642 8.004 -22.196 1.00 73.53 H new ATOM 0 HA3 GLY A 51 -11.343 7.721 -22.505 1.00 73.53 H new ATOM 818 N ALA A 52 -10.582 6.762 -19.553 1.00 20.25 N ATOM 819 CA ALA A 52 -10.843 6.941 -18.130 1.00 23.44 C ATOM 820 C ALA A 52 -9.558 6.824 -17.317 1.00 63.30 C ATOM 821 O ALA A 52 -9.270 7.667 -16.466 1.00 71.41 O ATOM 822 CB ALA A 52 -11.868 5.924 -17.649 1.00 64.21 C ATOM 0 H ALA A 52 -10.210 5.846 -19.802 1.00 20.25 H new ATOM 0 HA ALA A 52 -11.245 7.943 -17.983 1.00 23.44 H new ATOM 0 HB1 ALA A 52 -12.053 6.069 -16.585 1.00 64.21 H new ATOM 0 HB2 ALA A 52 -12.799 6.057 -18.201 1.00 64.21 H new ATOM 0 HB3 ALA A 52 -11.487 4.917 -17.817 1.00 64.21 H new ATOM 828 N LEU A 53 -8.788 5.774 -17.584 1.00 12.14 N ATOM 829 CA LEU A 53 -7.533 5.546 -16.876 1.00 41.42 C ATOM 830 C LEU A 53 -6.653 6.792 -16.914 1.00 21.31 C ATOM 831 O LEU A 53 -6.262 7.273 -17.977 1.00 44.32 O ATOM 832 CB LEU A 53 -6.786 4.361 -17.491 1.00 1.40 C ATOM 833 CG LEU A 53 -5.299 4.257 -17.152 1.00 64.31 C ATOM 834 CD1 LEU A 53 -4.957 2.854 -16.675 1.00 33.32 C ATOM 835 CD2 LEU A 53 -4.449 4.633 -18.357 1.00 52.42 C ATOM 0 H LEU A 53 -9.011 5.068 -18.285 1.00 12.14 H new ATOM 0 HA LEU A 53 -7.767 5.320 -15.836 1.00 41.42 H new ATOM 0 HB2 LEU A 53 -7.277 3.442 -17.170 1.00 1.40 H new ATOM 0 HB3 LEU A 53 -6.888 4.416 -18.575 1.00 1.40 H new ATOM 0 HG LEU A 53 -5.081 4.957 -16.345 1.00 64.31 H new ATOM 0 HD11 LEU A 53 -3.894 2.799 -16.438 1.00 33.32 H new ATOM 0 HD12 LEU A 53 -5.540 2.621 -15.784 1.00 33.32 H new ATOM 0 HD13 LEU A 53 -5.191 2.135 -17.460 1.00 33.32 H new ATOM 0 HD21 LEU A 53 -3.394 4.553 -18.097 1.00 52.42 H new ATOM 0 HD22 LEU A 53 -4.671 3.958 -19.184 1.00 52.42 H new ATOM 0 HD23 LEU A 53 -4.673 5.657 -18.655 1.00 52.42 H new ATOM 847 N PRO A 54 -6.332 7.326 -15.726 1.00 64.31 N ATOM 848 CA PRO A 54 -5.492 8.520 -15.596 1.00 42.24 C ATOM 849 C PRO A 54 -4.040 8.253 -15.979 1.00 72.31 C ATOM 850 O PRO A 54 -3.469 7.228 -15.607 1.00 10.34 O ATOM 851 CB PRO A 54 -5.597 8.868 -14.110 1.00 14.35 C ATOM 852 CG PRO A 54 -5.922 7.577 -13.440 1.00 51.45 C ATOM 853 CD PRO A 54 -6.763 6.804 -14.418 1.00 41.13 C ATOM 0 HA PRO A 54 -5.818 9.321 -16.260 1.00 42.24 H new ATOM 0 HB2 PRO A 54 -4.663 9.285 -13.734 1.00 14.35 H new ATOM 0 HB3 PRO A 54 -6.373 9.613 -13.932 1.00 14.35 H new ATOM 0 HG2 PRO A 54 -5.014 7.029 -13.187 1.00 51.45 H new ATOM 0 HG3 PRO A 54 -6.462 7.746 -12.509 1.00 51.45 H new ATOM 0 HD2 PRO A 54 -6.590 5.731 -14.337 1.00 41.13 H new ATOM 0 HD3 PRO A 54 -7.827 6.969 -14.251 1.00 41.13 H new ATOM 861 N ALA A 55 -3.449 9.181 -16.724 1.00 61.44 N ATOM 862 CA ALA A 55 -2.063 9.046 -17.155 1.00 60.51 C ATOM 863 C ALA A 55 -1.102 9.522 -16.071 1.00 33.32 C ATOM 864 O ALA A 55 0.095 9.243 -16.123 1.00 33.41 O ATOM 865 CB ALA A 55 -1.833 9.820 -18.444 1.00 40.52 C ATOM 0 H ALA A 55 -3.908 10.035 -17.042 1.00 61.44 H new ATOM 0 HA ALA A 55 -1.867 7.990 -17.339 1.00 60.51 H new ATOM 0 HB1 ALA A 55 -0.794 9.710 -18.754 1.00 40.52 H new ATOM 0 HB2 ALA A 55 -2.487 9.431 -19.224 1.00 40.52 H new ATOM 0 HB3 ALA A 55 -2.053 10.875 -18.279 1.00 40.52 H new ATOM 871 N ASN A 56 -1.635 10.243 -15.090 1.00 31.55 N ATOM 872 CA ASN A 56 -0.824 10.759 -13.993 1.00 62.30 C ATOM 873 C ASN A 56 -0.603 9.688 -12.929 1.00 13.14 C ATOM 874 O ASN A 56 0.350 9.757 -12.152 1.00 53.13 O ATOM 875 CB ASN A 56 -1.494 11.984 -13.368 1.00 42.34 C ATOM 876 CG ASN A 56 -0.530 13.141 -13.187 1.00 64.24 C ATOM 877 OD1 ASN A 56 -0.063 13.733 -14.161 1.00 22.42 O ATOM 878 ND2 ASN A 56 -0.227 13.468 -11.937 1.00 23.05 N ATOM 0 H ASN A 56 -2.625 10.483 -15.032 1.00 31.55 H new ATOM 0 HA ASN A 56 0.146 11.050 -14.397 1.00 62.30 H new ATOM 0 HB2 ASN A 56 -2.324 12.302 -13.998 1.00 42.34 H new ATOM 0 HB3 ASN A 56 -1.915 11.711 -12.400 1.00 42.34 H new ATOM 0 HD21 ASN A 56 0.417 14.238 -11.753 1.00 23.05 H new ATOM 0 HD22 ASN A 56 -0.638 12.950 -11.160 1.00 23.05 H new ATOM 885 N ASP A 57 -1.490 8.700 -12.899 1.00 72.43 N ATOM 886 CA ASP A 57 -1.392 7.613 -11.932 1.00 31.13 C ATOM 887 C ASP A 57 -1.846 6.293 -12.549 1.00 2.55 C ATOM 888 O ASP A 57 -2.799 6.256 -13.328 1.00 2.51 O ATOM 889 CB ASP A 57 -2.233 7.927 -10.693 1.00 62.12 C ATOM 890 CG ASP A 57 -1.794 9.204 -10.004 1.00 41.11 C ATOM 891 OD1 ASP A 57 -0.652 9.244 -9.501 1.00 21.11 O ATOM 892 OD2 ASP A 57 -2.593 10.164 -9.967 1.00 62.54 O ATOM 0 H ASP A 57 -2.285 8.629 -13.533 1.00 72.43 H new ATOM 0 HA ASP A 57 -0.347 7.515 -11.638 1.00 31.13 H new ATOM 0 HB2 ASP A 57 -3.281 8.015 -10.981 1.00 62.12 H new ATOM 0 HB3 ASP A 57 -2.164 7.096 -9.991 1.00 62.12 H new ATOM 897 N CYS A 58 -1.157 5.214 -12.196 1.00 32.23 N ATOM 898 CA CYS A 58 -1.488 3.892 -12.716 1.00 71.01 C ATOM 899 C CYS A 58 -2.854 3.436 -12.214 1.00 12.30 C ATOM 900 O CYS A 58 -3.419 4.031 -11.295 1.00 62.44 O ATOM 901 CB CYS A 58 -0.418 2.878 -12.309 1.00 44.35 C ATOM 902 SG CYS A 58 -0.857 1.878 -10.869 1.00 13.23 S ATOM 0 H CYS A 58 -0.366 5.228 -11.552 1.00 32.23 H new ATOM 0 HA CYS A 58 -1.523 3.956 -13.804 1.00 71.01 H new ATOM 0 HB2 CYS A 58 -0.222 2.215 -13.152 1.00 44.35 H new ATOM 0 HB3 CYS A 58 0.510 3.410 -12.099 1.00 44.35 H new ATOM 0 HG CYS A 58 0.171 1.172 -10.501 1.00 13.23 H new ATOM 908 N ARG A 59 -3.381 2.379 -12.824 1.00 4.32 N ATOM 909 CA ARG A 59 -4.682 1.846 -12.441 1.00 32.25 C ATOM 910 C ARG A 59 -4.861 0.423 -12.962 1.00 33.12 C ATOM 911 O ARG A 59 -3.963 -0.137 -13.590 1.00 41.14 O ATOM 912 CB ARG A 59 -5.802 2.741 -12.975 1.00 64.11 C ATOM 913 CG ARG A 59 -6.831 3.122 -11.924 1.00 32.01 C ATOM 914 CD ARG A 59 -6.765 4.604 -11.591 1.00 52.31 C ATOM 915 NE ARG A 59 -5.894 4.871 -10.450 1.00 21.22 N ATOM 916 CZ ARG A 59 -5.877 6.024 -9.792 1.00 11.55 C ATOM 917 NH1 ARG A 59 -6.680 7.013 -10.159 1.00 54.14 N ATOM 918 NH2 ARG A 59 -5.056 6.191 -8.763 1.00 21.24 N ATOM 0 H ARG A 59 -2.926 1.875 -13.586 1.00 4.32 H new ATOM 0 HA ARG A 59 -4.732 1.825 -11.352 1.00 32.25 H new ATOM 0 HB2 ARG A 59 -5.364 3.649 -13.388 1.00 64.11 H new ATOM 0 HB3 ARG A 59 -6.305 2.229 -13.795 1.00 64.11 H new ATOM 0 HG2 ARG A 59 -7.829 2.873 -12.284 1.00 32.01 H new ATOM 0 HG3 ARG A 59 -6.663 2.537 -11.020 1.00 32.01 H new ATOM 0 HD2 ARG A 59 -6.404 5.155 -12.459 1.00 52.31 H new ATOM 0 HD3 ARG A 59 -7.768 4.972 -11.375 1.00 52.31 H new ATOM 0 HE ARG A 59 -5.264 4.131 -10.141 1.00 21.22 H new ATOM 0 HH11 ARG A 59 -7.313 6.889 -10.949 1.00 54.14 H new ATOM 0 HH12 ARG A 59 -6.665 7.898 -9.651 1.00 54.14 H new ATOM 0 HH21 ARG A 59 -4.437 5.433 -8.476 1.00 21.24 H new ATOM 0 HH22 ARG A 59 -5.044 7.077 -8.259 1.00 21.24 H new ATOM 932 N PHE A 60 -6.027 -0.157 -12.696 1.00 12.33 N ATOM 933 CA PHE A 60 -6.324 -1.515 -13.136 1.00 40.24 C ATOM 934 C PHE A 60 -7.743 -1.609 -13.690 1.00 22.11 C ATOM 935 O PHE A 60 -8.513 -0.653 -13.619 1.00 53.34 O ATOM 936 CB PHE A 60 -6.150 -2.499 -11.978 1.00 21.01 C ATOM 937 CG PHE A 60 -5.114 -2.071 -10.978 1.00 14.32 C ATOM 938 CD1 PHE A 60 -3.764 -2.183 -11.267 1.00 52.15 C ATOM 939 CD2 PHE A 60 -5.491 -1.556 -9.748 1.00 33.23 C ATOM 940 CE1 PHE A 60 -2.809 -1.789 -10.350 1.00 24.34 C ATOM 941 CE2 PHE A 60 -4.540 -1.161 -8.826 1.00 54.41 C ATOM 942 CZ PHE A 60 -3.197 -1.278 -9.127 1.00 35.42 C ATOM 0 H PHE A 60 -6.782 0.293 -12.178 1.00 12.33 H new ATOM 0 HA PHE A 60 -5.625 -1.774 -13.931 1.00 40.24 H new ATOM 0 HB2 PHE A 60 -7.106 -2.621 -11.469 1.00 21.01 H new ATOM 0 HB3 PHE A 60 -5.875 -3.475 -12.379 1.00 21.01 H new ATOM 0 HD1 PHE A 60 -3.454 -2.583 -12.221 1.00 52.15 H new ATOM 0 HD2 PHE A 60 -6.540 -1.462 -9.507 1.00 33.23 H new ATOM 0 HE1 PHE A 60 -1.760 -1.880 -10.589 1.00 24.34 H new ATOM 0 HE2 PHE A 60 -4.847 -0.761 -7.871 1.00 54.41 H new ATOM 0 HZ PHE A 60 -2.452 -0.971 -8.408 1.00 35.42 H new ATOM 952 N GLY A 61 -8.080 -2.771 -14.242 1.00 15.22 N ATOM 953 CA GLY A 61 -9.405 -2.970 -14.800 1.00 51.53 C ATOM 954 C GLY A 61 -9.861 -4.413 -14.713 1.00 4.41 C ATOM 955 O GLY A 61 -9.100 -5.331 -15.018 1.00 23.11 O ATOM 0 H GLY A 61 -7.459 -3.577 -14.313 1.00 15.22 H new ATOM 0 HA2 GLY A 61 -10.117 -2.335 -14.273 1.00 51.53 H new ATOM 0 HA3 GLY A 61 -9.408 -2.654 -15.843 1.00 51.53 H new ATOM 959 N VAL A 62 -11.106 -4.614 -14.294 1.00 22.25 N ATOM 960 CA VAL A 62 -11.662 -5.956 -14.166 1.00 62.11 C ATOM 961 C VAL A 62 -12.801 -6.175 -15.155 1.00 32.10 C ATOM 962 O VAL A 62 -13.740 -5.381 -15.222 1.00 61.23 O ATOM 963 CB VAL A 62 -12.178 -6.216 -12.739 1.00 34.24 C ATOM 964 CG1 VAL A 62 -11.807 -7.619 -12.283 1.00 64.13 C ATOM 965 CG2 VAL A 62 -11.632 -5.172 -11.776 1.00 73.32 C ATOM 0 H VAL A 62 -11.749 -3.865 -14.037 1.00 22.25 H new ATOM 0 HA VAL A 62 -10.855 -6.655 -14.385 1.00 62.11 H new ATOM 0 HB VAL A 62 -13.265 -6.138 -12.746 1.00 34.24 H new ATOM 0 HG11 VAL A 62 -12.180 -7.784 -11.272 1.00 64.13 H new ATOM 0 HG12 VAL A 62 -12.252 -8.350 -12.958 1.00 64.13 H new ATOM 0 HG13 VAL A 62 -10.723 -7.730 -12.292 1.00 64.13 H new ATOM 0 HG21 VAL A 62 -12.007 -5.371 -10.772 1.00 73.32 H new ATOM 0 HG22 VAL A 62 -10.543 -5.215 -11.772 1.00 73.32 H new ATOM 0 HG23 VAL A 62 -11.954 -4.180 -12.093 1.00 73.32 H new ATOM 975 N TYR A 63 -12.713 -7.257 -15.920 1.00 42.05 N ATOM 976 CA TYR A 63 -13.736 -7.580 -16.908 1.00 64.20 C ATOM 977 C TYR A 63 -13.669 -9.053 -17.300 1.00 24.12 C ATOM 978 O TYR A 63 -12.720 -9.491 -17.951 1.00 32.40 O ATOM 979 CB TYR A 63 -13.571 -6.703 -18.150 1.00 4.40 C ATOM 980 CG TYR A 63 -12.152 -6.228 -18.372 1.00 33.01 C ATOM 981 CD1 TYR A 63 -11.688 -5.062 -17.777 1.00 3.30 C ATOM 982 CD2 TYR A 63 -11.276 -6.947 -19.176 1.00 54.12 C ATOM 983 CE1 TYR A 63 -10.393 -4.624 -17.978 1.00 20.12 C ATOM 984 CE2 TYR A 63 -9.979 -6.518 -19.381 1.00 54.34 C ATOM 985 CZ TYR A 63 -9.543 -5.356 -18.781 1.00 4.55 C ATOM 986 OH TYR A 63 -8.252 -4.924 -18.982 1.00 4.21 O ATOM 0 H TYR A 63 -11.944 -7.926 -15.875 1.00 42.05 H new ATOM 0 HA TYR A 63 -14.711 -7.385 -16.461 1.00 64.20 H new ATOM 0 HB2 TYR A 63 -13.899 -7.263 -19.026 1.00 4.40 H new ATOM 0 HB3 TYR A 63 -14.226 -5.836 -18.062 1.00 4.40 H new ATOM 0 HD1 TYR A 63 -12.351 -4.488 -17.146 1.00 3.30 H new ATOM 0 HD2 TYR A 63 -11.615 -7.857 -19.649 1.00 54.12 H new ATOM 0 HE1 TYR A 63 -10.048 -3.714 -17.509 1.00 20.12 H new ATOM 0 HE2 TYR A 63 -9.310 -7.090 -20.008 1.00 54.34 H new ATOM 0 HH TYR A 63 -7.625 -5.612 -18.676 1.00 4.21 H new ATOM 996 N ASP A 64 -14.683 -9.812 -16.899 1.00 4.25 N ATOM 997 CA ASP A 64 -14.742 -11.236 -17.208 1.00 45.41 C ATOM 998 C ASP A 64 -14.617 -11.471 -18.710 1.00 52.33 C ATOM 999 O ASP A 64 -15.577 -11.285 -19.459 1.00 73.11 O ATOM 1000 CB ASP A 64 -16.049 -11.838 -16.692 1.00 11.14 C ATOM 1001 CG ASP A 64 -16.403 -13.137 -17.388 1.00 52.14 C ATOM 1002 OD1 ASP A 64 -15.622 -14.104 -17.273 1.00 43.20 O ATOM 1003 OD2 ASP A 64 -17.462 -13.186 -18.050 1.00 65.40 O ATOM 0 H ASP A 64 -15.476 -9.465 -16.359 1.00 4.25 H new ATOM 0 HA ASP A 64 -13.905 -11.726 -16.711 1.00 45.41 H new ATOM 0 HB2 ASP A 64 -15.966 -12.015 -15.620 1.00 11.14 H new ATOM 0 HB3 ASP A 64 -16.857 -11.121 -16.835 1.00 11.14 H new ATOM 1008 N CYS A 65 -13.430 -11.878 -19.144 1.00 23.53 N ATOM 1009 CA CYS A 65 -13.179 -12.137 -20.557 1.00 71.12 C ATOM 1010 C CYS A 65 -13.819 -13.452 -20.991 1.00 43.01 C ATOM 1011 O CYS A 65 -13.845 -13.780 -22.177 1.00 12.25 O ATOM 1012 CB CYS A 65 -11.675 -12.172 -20.832 1.00 30.43 C ATOM 1013 SG CYS A 65 -11.224 -11.746 -22.530 1.00 54.01 S ATOM 0 H CYS A 65 -12.625 -12.036 -18.537 1.00 23.53 H new ATOM 0 HA CYS A 65 -13.627 -11.328 -21.134 1.00 71.12 H new ATOM 0 HB2 CYS A 65 -11.176 -11.482 -20.151 1.00 30.43 H new ATOM 0 HB3 CYS A 65 -11.299 -13.170 -20.607 1.00 30.43 H new ATOM 0 HG CYS A 65 -9.987 -11.348 -22.564 1.00 54.01 H new ATOM 1019 N GLY A 66 -14.332 -14.203 -20.021 1.00 52.13 N ATOM 1020 CA GLY A 66 -14.963 -15.475 -20.323 1.00 0.42 C ATOM 1021 C GLY A 66 -14.116 -16.657 -19.898 1.00 24.33 C ATOM 1022 O GLY A 66 -14.642 -17.708 -19.535 1.00 74.20 O ATOM 0 H GLY A 66 -14.322 -13.954 -19.032 1.00 52.13 H new ATOM 0 HA2 GLY A 66 -15.930 -15.526 -19.822 1.00 0.42 H new ATOM 0 HA3 GLY A 66 -15.156 -15.536 -21.394 1.00 0.42 H new ATOM 1026 N ASN A 67 -12.798 -16.487 -19.944 1.00 13.42 N ATOM 1027 CA ASN A 67 -11.876 -17.550 -19.562 1.00 41.14 C ATOM 1028 C ASN A 67 -10.885 -17.059 -18.512 1.00 24.14 C ATOM 1029 O ASN A 67 -10.604 -17.754 -17.535 1.00 4.45 O ATOM 1030 CB ASN A 67 -11.122 -18.064 -20.790 1.00 62.23 C ATOM 1031 CG ASN A 67 -12.048 -18.678 -21.822 1.00 61.33 C ATOM 1032 OD1 ASN A 67 -12.863 -19.544 -21.504 1.00 30.31 O ATOM 1033 ND2 ASN A 67 -11.926 -18.231 -23.067 1.00 20.52 N ATOM 0 H ASN A 67 -12.345 -15.623 -20.242 1.00 13.42 H new ATOM 0 HA ASN A 67 -12.458 -18.366 -19.133 1.00 41.14 H new ATOM 0 HB2 ASN A 67 -10.570 -17.241 -21.245 1.00 62.23 H new ATOM 0 HB3 ASN A 67 -10.387 -18.806 -20.478 1.00 62.23 H new ATOM 0 HD21 ASN A 67 -12.522 -18.607 -23.805 1.00 20.52 H new ATOM 0 HD22 ASN A 67 -11.237 -17.512 -23.285 1.00 20.52 H new ATOM 1040 N LYS A 68 -10.358 -15.857 -18.719 1.00 21.10 N ATOM 1041 CA LYS A 68 -9.399 -15.271 -17.790 1.00 12.41 C ATOM 1042 C LYS A 68 -9.603 -13.763 -17.677 1.00 62.15 C ATOM 1043 O LYS A 68 -10.125 -13.128 -18.594 1.00 61.12 O ATOM 1044 CB LYS A 68 -7.969 -15.570 -18.244 1.00 61.31 C ATOM 1045 CG LYS A 68 -7.555 -14.810 -19.492 1.00 51.11 C ATOM 1046 CD LYS A 68 -8.163 -15.420 -20.744 1.00 64.30 C ATOM 1047 CE LYS A 68 -9.113 -14.452 -21.431 1.00 74.22 C ATOM 1048 NZ LYS A 68 -8.505 -13.846 -22.647 1.00 65.15 N ATOM 0 H LYS A 68 -10.579 -15.269 -19.523 1.00 21.10 H new ATOM 0 HA LYS A 68 -9.563 -15.717 -16.809 1.00 12.41 H new ATOM 0 HB2 LYS A 68 -7.281 -15.325 -17.435 1.00 61.31 H new ATOM 0 HB3 LYS A 68 -7.872 -16.639 -18.431 1.00 61.31 H new ATOM 0 HG2 LYS A 68 -7.866 -13.769 -19.405 1.00 51.11 H new ATOM 0 HG3 LYS A 68 -6.468 -14.812 -19.576 1.00 51.11 H new ATOM 0 HD2 LYS A 68 -7.369 -15.703 -21.434 1.00 64.30 H new ATOM 0 HD3 LYS A 68 -8.698 -16.333 -20.482 1.00 64.30 H new ATOM 0 HE2 LYS A 68 -10.029 -14.976 -21.706 1.00 74.22 H new ATOM 0 HE3 LYS A 68 -9.394 -13.663 -20.734 1.00 74.22 H new ATOM 0 HZ1 LYS A 68 -9.127 -13.095 -23.009 1.00 65.15 H new ATOM 0 HZ2 LYS A 68 -7.578 -13.441 -22.407 1.00 65.15 H new ATOM 0 HZ3 LYS A 68 -8.385 -14.577 -23.376 1.00 65.15 H new ATOM 1062 N ILE A 69 -9.187 -13.197 -16.550 1.00 24.02 N ATOM 1063 CA ILE A 69 -9.321 -11.764 -16.320 1.00 53.00 C ATOM 1064 C ILE A 69 -8.063 -11.017 -16.750 1.00 72.53 C ATOM 1065 O ILE A 69 -7.053 -11.028 -16.047 1.00 71.24 O ATOM 1066 CB ILE A 69 -9.606 -11.456 -14.838 1.00 50.31 C ATOM 1067 CG1 ILE A 69 -10.702 -12.380 -14.304 1.00 22.33 C ATOM 1068 CG2 ILE A 69 -10.006 -9.998 -14.668 1.00 1.22 C ATOM 1069 CD1 ILE A 69 -11.894 -12.501 -15.227 1.00 12.42 C ATOM 0 H ILE A 69 -8.754 -13.709 -15.781 1.00 24.02 H new ATOM 0 HA ILE A 69 -10.164 -11.426 -16.922 1.00 53.00 H new ATOM 0 HB ILE A 69 -8.696 -11.633 -14.264 1.00 50.31 H new ATOM 0 HG12 ILE A 69 -10.280 -13.371 -14.137 1.00 22.33 H new ATOM 0 HG13 ILE A 69 -11.039 -12.009 -13.336 1.00 22.33 H new ATOM 0 HG21 ILE A 69 -10.204 -9.795 -13.615 1.00 1.22 H new ATOM 0 HG22 ILE A 69 -9.196 -9.356 -15.015 1.00 1.22 H new ATOM 0 HG23 ILE A 69 -10.904 -9.797 -15.252 1.00 1.22 H new ATOM 0 HD11 ILE A 69 -12.631 -13.171 -14.784 1.00 12.42 H new ATOM 0 HD12 ILE A 69 -12.341 -11.518 -15.375 1.00 12.42 H new ATOM 0 HD13 ILE A 69 -11.571 -12.901 -16.188 1.00 12.42 H new ATOM 1081 N GLN A 70 -8.133 -10.369 -17.908 1.00 73.14 N ATOM 1082 CA GLN A 70 -7.000 -9.616 -18.432 1.00 23.04 C ATOM 1083 C GLN A 70 -6.866 -8.271 -17.724 1.00 73.52 C ATOM 1084 O GLN A 70 -7.712 -7.390 -17.879 1.00 70.30 O ATOM 1085 CB GLN A 70 -7.155 -9.400 -19.938 1.00 13.01 C ATOM 1086 CG GLN A 70 -5.836 -9.407 -20.693 1.00 50.11 C ATOM 1087 CD GLN A 70 -5.792 -8.373 -21.801 1.00 74.31 C ATOM 1088 OE1 GLN A 70 -4.843 -7.596 -21.904 1.00 23.21 O ATOM 1089 NE2 GLN A 70 -6.823 -8.359 -22.638 1.00 40.34 N ATOM 0 H GLN A 70 -8.962 -10.350 -18.501 1.00 73.14 H new ATOM 0 HA GLN A 70 -6.095 -10.195 -18.247 1.00 23.04 H new ATOM 0 HB2 GLN A 70 -7.800 -10.179 -20.344 1.00 13.01 H new ATOM 0 HB3 GLN A 70 -7.657 -8.448 -20.110 1.00 13.01 H new ATOM 0 HG2 GLN A 70 -5.021 -9.220 -19.994 1.00 50.11 H new ATOM 0 HG3 GLN A 70 -5.670 -10.397 -21.118 1.00 50.11 H new ATOM 0 HE21 GLN A 70 -7.589 -9.022 -22.515 1.00 40.34 H new ATOM 0 HE22 GLN A 70 -6.849 -7.686 -23.404 1.00 40.34 H new ATOM 1098 N PHE A 71 -5.799 -8.121 -16.947 1.00 0.21 N ATOM 1099 CA PHE A 71 -5.555 -6.884 -16.214 1.00 54.32 C ATOM 1100 C PHE A 71 -4.391 -6.110 -16.825 1.00 24.10 C ATOM 1101 O PHE A 71 -3.279 -6.627 -16.939 1.00 51.01 O ATOM 1102 CB PHE A 71 -5.266 -7.186 -14.743 1.00 25.44 C ATOM 1103 CG PHE A 71 -6.464 -7.028 -13.851 1.00 4.23 C ATOM 1104 CD1 PHE A 71 -6.761 -5.801 -13.279 1.00 23.31 C ATOM 1105 CD2 PHE A 71 -7.292 -8.106 -13.584 1.00 14.34 C ATOM 1106 CE1 PHE A 71 -7.863 -5.652 -12.458 1.00 4.20 C ATOM 1107 CE2 PHE A 71 -8.396 -7.962 -12.764 1.00 22.11 C ATOM 1108 CZ PHE A 71 -8.681 -6.734 -12.199 1.00 64.14 C ATOM 0 H PHE A 71 -5.089 -8.840 -16.808 1.00 0.21 H new ATOM 0 HA PHE A 71 -6.452 -6.269 -16.281 1.00 54.32 H new ATOM 0 HB2 PHE A 71 -4.891 -8.206 -14.657 1.00 25.44 H new ATOM 0 HB3 PHE A 71 -4.473 -6.524 -14.394 1.00 25.44 H new ATOM 0 HD1 PHE A 71 -6.124 -4.952 -13.477 1.00 23.31 H new ATOM 0 HD2 PHE A 71 -7.073 -9.069 -14.021 1.00 14.34 H new ATOM 0 HE1 PHE A 71 -8.084 -4.690 -12.019 1.00 4.20 H new ATOM 0 HE2 PHE A 71 -9.035 -8.809 -12.565 1.00 22.11 H new ATOM 0 HZ PHE A 71 -9.541 -6.620 -11.556 1.00 64.14 H new ATOM 1118 N VAL A 72 -4.654 -4.868 -17.217 1.00 0.50 N ATOM 1119 CA VAL A 72 -3.629 -4.021 -17.816 1.00 22.32 C ATOM 1120 C VAL A 72 -3.213 -2.905 -16.865 1.00 10.15 C ATOM 1121 O VAL A 72 -4.008 -2.445 -16.044 1.00 55.33 O ATOM 1122 CB VAL A 72 -4.116 -3.399 -19.138 1.00 33.31 C ATOM 1123 CG1 VAL A 72 -2.976 -2.680 -19.842 1.00 51.21 C ATOM 1124 CG2 VAL A 72 -4.720 -4.467 -20.038 1.00 15.15 C ATOM 0 H VAL A 72 -5.569 -4.425 -17.131 1.00 0.50 H new ATOM 0 HA VAL A 72 -2.770 -4.660 -18.019 1.00 22.32 H new ATOM 0 HB VAL A 72 -4.890 -2.666 -18.911 1.00 33.31 H new ATOM 0 HG11 VAL A 72 -3.339 -2.247 -20.774 1.00 51.21 H new ATOM 0 HG12 VAL A 72 -2.593 -1.888 -19.199 1.00 51.21 H new ATOM 0 HG13 VAL A 72 -2.177 -3.389 -20.059 1.00 51.21 H new ATOM 0 HG21 VAL A 72 -5.059 -4.010 -20.968 1.00 15.15 H new ATOM 0 HG22 VAL A 72 -3.968 -5.224 -20.259 1.00 15.15 H new ATOM 0 HG23 VAL A 72 -5.566 -4.932 -19.533 1.00 15.15 H new ATOM 1134 N LEU A 73 -1.962 -2.473 -16.979 1.00 52.44 N ATOM 1135 CA LEU A 73 -1.439 -1.408 -16.130 1.00 34.34 C ATOM 1136 C LEU A 73 -0.751 -0.333 -16.965 1.00 22.54 C ATOM 1137 O LEU A 73 -0.161 -0.625 -18.005 1.00 52.01 O ATOM 1138 CB LEU A 73 -0.458 -1.982 -15.106 1.00 40.20 C ATOM 1139 CG LEU A 73 -0.929 -1.981 -13.651 1.00 43.02 C ATOM 1140 CD1 LEU A 73 -1.289 -3.390 -13.206 1.00 11.20 C ATOM 1141 CD2 LEU A 73 0.142 -1.391 -12.745 1.00 15.43 C ATOM 0 H LEU A 73 -1.291 -2.844 -17.651 1.00 52.44 H new ATOM 0 HA LEU A 73 -2.277 -0.951 -15.604 1.00 34.34 H new ATOM 0 HB2 LEU A 73 -0.226 -3.008 -15.391 1.00 40.20 H new ATOM 0 HB3 LEU A 73 0.472 -1.416 -15.166 1.00 40.20 H new ATOM 0 HG LEU A 73 -1.822 -1.360 -13.578 1.00 43.02 H new ATOM 0 HD11 LEU A 73 -1.622 -3.370 -12.168 1.00 11.20 H new ATOM 0 HD12 LEU A 73 -2.089 -3.777 -13.836 1.00 11.20 H new ATOM 0 HD13 LEU A 73 -0.414 -4.034 -13.294 1.00 11.20 H new ATOM 0 HD21 LEU A 73 -0.210 -1.398 -11.713 1.00 15.43 H new ATOM 0 HD22 LEU A 73 1.052 -1.986 -12.822 1.00 15.43 H new ATOM 0 HD23 LEU A 73 0.352 -0.366 -13.050 1.00 15.43 H new ATOM 1153 N TRP A 74 -0.828 0.908 -16.501 1.00 12.45 N ATOM 1154 CA TRP A 74 -0.210 2.027 -17.204 1.00 32.22 C ATOM 1155 C TRP A 74 0.641 2.863 -16.255 1.00 1.02 C ATOM 1156 O TRP A 74 0.116 3.646 -15.462 1.00 43.44 O ATOM 1157 CB TRP A 74 -1.283 2.903 -17.853 1.00 3.10 C ATOM 1158 CG TRP A 74 -0.986 3.245 -19.282 1.00 21.22 C ATOM 1159 CD1 TRP A 74 -0.839 2.370 -20.320 1.00 42.12 C ATOM 1160 CD2 TRP A 74 -0.798 4.555 -19.828 1.00 71.33 C ATOM 1161 NE1 TRP A 74 -0.571 3.057 -21.479 1.00 41.44 N ATOM 1162 CE2 TRP A 74 -0.541 4.399 -21.205 1.00 35.03 C ATOM 1163 CE3 TRP A 74 -0.824 5.844 -19.290 1.00 23.12 C ATOM 1164 CZ2 TRP A 74 -0.311 5.484 -22.046 1.00 55.11 C ATOM 1165 CZ3 TRP A 74 -0.595 6.920 -20.126 1.00 61.12 C ATOM 1166 CH2 TRP A 74 -0.342 6.735 -21.492 1.00 73.00 C ATOM 0 H TRP A 74 -1.312 1.166 -15.641 1.00 12.45 H new ATOM 0 HA TRP A 74 0.438 1.622 -17.981 1.00 32.22 H new ATOM 0 HB2 TRP A 74 -2.242 2.388 -17.802 1.00 3.10 H new ATOM 0 HB3 TRP A 74 -1.385 3.825 -17.280 1.00 3.10 H new ATOM 0 HD1 TRP A 74 -0.921 1.296 -20.241 1.00 42.12 H new ATOM 0 HE1 TRP A 74 -0.419 2.636 -22.396 1.00 41.44 H new ATOM 0 HE3 TRP A 74 -1.020 5.997 -18.239 1.00 23.12 H new ATOM 0 HZ2 TRP A 74 -0.115 5.344 -23.099 1.00 55.11 H new ATOM 0 HZ3 TRP A 74 -0.611 7.921 -19.720 1.00 61.12 H new ATOM 0 HH2 TRP A 74 -0.168 7.596 -22.120 1.00 73.00 H new ATOM 1177 N CYS A 75 1.956 2.692 -16.340 1.00 54.32 N ATOM 1178 CA CYS A 75 2.880 3.432 -15.488 1.00 33.24 C ATOM 1179 C CYS A 75 2.799 4.929 -15.769 1.00 21.24 C ATOM 1180 O CYS A 75 3.063 5.392 -16.878 1.00 42.23 O ATOM 1181 CB CYS A 75 4.311 2.937 -15.701 1.00 72.24 C ATOM 1182 SG CYS A 75 4.572 1.209 -15.236 1.00 13.35 S ATOM 0 H CYS A 75 2.406 2.048 -16.990 1.00 54.32 H new ATOM 0 HA CYS A 75 2.595 3.260 -14.450 1.00 33.24 H new ATOM 0 HB2 CYS A 75 4.575 3.063 -16.751 1.00 72.24 H new ATOM 0 HB3 CYS A 75 4.991 3.564 -15.124 1.00 72.24 H new ATOM 0 HG CYS A 75 5.743 0.821 -15.647 1.00 13.35 H new ATOM 1188 N PRO A 76 2.424 5.705 -14.741 1.00 31.42 N ATOM 1189 CA PRO A 76 2.299 7.161 -14.853 1.00 35.12 C ATOM 1190 C PRO A 76 3.651 7.849 -15.006 1.00 54.12 C ATOM 1191 O PRO A 76 4.634 7.454 -14.379 1.00 73.45 O ATOM 1192 CB PRO A 76 1.641 7.563 -13.530 1.00 73.04 C ATOM 1193 CG PRO A 76 2.017 6.482 -12.576 1.00 55.24 C ATOM 1194 CD PRO A 76 2.094 5.220 -13.390 1.00 52.00 C ATOM 0 HA PRO A 76 1.730 7.455 -15.735 1.00 35.12 H new ATOM 0 HB2 PRO A 76 1.999 8.534 -13.189 1.00 73.04 H new ATOM 0 HB3 PRO A 76 0.559 7.641 -13.634 1.00 73.04 H new ATOM 0 HG2 PRO A 76 2.973 6.698 -12.099 1.00 55.24 H new ATOM 0 HG3 PRO A 76 1.278 6.389 -11.781 1.00 55.24 H new ATOM 0 HD2 PRO A 76 2.858 4.542 -13.009 1.00 52.00 H new ATOM 0 HD3 PRO A 76 1.150 4.676 -13.378 1.00 52.00 H new ATOM 1202 N ASP A 77 3.693 8.880 -15.842 1.00 53.44 N ATOM 1203 CA ASP A 77 4.924 9.625 -16.077 1.00 25.12 C ATOM 1204 C ASP A 77 5.076 10.757 -15.065 1.00 62.42 C ATOM 1205 O ASP A 77 6.037 11.523 -15.116 1.00 51.24 O ATOM 1206 CB ASP A 77 4.942 10.189 -17.498 1.00 50.13 C ATOM 1207 CG ASP A 77 4.073 11.423 -17.642 1.00 73.23 C ATOM 1208 OD1 ASP A 77 4.517 12.514 -17.228 1.00 21.15 O ATOM 1209 OD2 ASP A 77 2.948 11.297 -18.171 1.00 3.45 O ATOM 0 H ASP A 77 2.888 9.219 -16.369 1.00 53.44 H new ATOM 0 HA ASP A 77 5.762 8.939 -15.957 1.00 25.12 H new ATOM 0 HB2 ASP A 77 5.967 10.436 -17.775 1.00 50.13 H new ATOM 0 HB3 ASP A 77 4.599 9.423 -18.194 1.00 50.13 H new ATOM 1214 N ASN A 78 4.120 10.855 -14.147 1.00 42.01 N ATOM 1215 CA ASN A 78 4.147 11.894 -13.124 1.00 53.33 C ATOM 1216 C ASN A 78 4.908 11.423 -11.889 1.00 64.23 C ATOM 1217 O ASN A 78 5.532 12.221 -11.190 1.00 71.30 O ATOM 1218 CB ASN A 78 2.722 12.294 -12.737 1.00 34.14 C ATOM 1219 CG ASN A 78 2.689 13.241 -11.553 1.00 15.03 C ATOM 1220 OD1 ASN A 78 2.792 12.817 -10.401 1.00 53.25 O ATOM 1221 ND2 ASN A 78 2.544 14.531 -11.831 1.00 52.33 N ATOM 0 H ASN A 78 3.317 10.228 -14.091 1.00 42.01 H new ATOM 0 HA ASN A 78 4.662 12.762 -13.536 1.00 53.33 H new ATOM 0 HB2 ASN A 78 2.236 12.767 -13.590 1.00 34.14 H new ATOM 0 HB3 ASN A 78 2.148 11.398 -12.499 1.00 34.14 H new ATOM 0 HD21 ASN A 78 2.514 15.215 -11.075 1.00 52.33 H new ATOM 0 HD22 ASN A 78 2.462 14.838 -12.800 1.00 52.33 H new ATOM 1228 N ALA A 79 4.853 10.121 -11.628 1.00 63.11 N ATOM 1229 CA ALA A 79 5.540 9.542 -10.480 1.00 13.53 C ATOM 1230 C ALA A 79 5.247 8.051 -10.359 1.00 71.23 C ATOM 1231 O ALA A 79 4.473 7.612 -9.508 1.00 52.33 O ATOM 1232 CB ALA A 79 5.136 10.266 -9.204 1.00 12.32 C ATOM 0 H ALA A 79 4.340 9.447 -12.196 1.00 63.11 H new ATOM 0 HA ALA A 79 6.613 9.663 -10.631 1.00 13.53 H new ATOM 0 HB1 ALA A 79 5.656 9.824 -8.354 1.00 12.32 H new ATOM 0 HB2 ALA A 79 5.402 11.320 -9.284 1.00 12.32 H new ATOM 0 HB3 ALA A 79 4.060 10.174 -9.058 1.00 12.32 H new ATOM 1238 N PRO A 80 5.879 7.251 -11.231 1.00 33.31 N ATOM 1239 CA PRO A 80 5.701 5.796 -11.242 1.00 62.40 C ATOM 1240 C PRO A 80 6.327 5.126 -10.023 1.00 61.14 C ATOM 1241 O PRO A 80 5.891 4.056 -9.598 1.00 65.23 O ATOM 1242 CB PRO A 80 6.422 5.360 -12.520 1.00 53.15 C ATOM 1243 CG PRO A 80 7.433 6.426 -12.767 1.00 53.14 C ATOM 1244 CD PRO A 80 6.815 7.705 -12.272 1.00 65.24 C ATOM 0 HA PRO A 80 4.648 5.514 -11.212 1.00 62.40 H new ATOM 0 HB2 PRO A 80 6.896 4.386 -12.395 1.00 53.15 H new ATOM 0 HB3 PRO A 80 5.728 5.271 -13.356 1.00 53.15 H new ATOM 0 HG2 PRO A 80 8.363 6.212 -12.240 1.00 53.14 H new ATOM 0 HG3 PRO A 80 7.677 6.495 -13.827 1.00 53.14 H new ATOM 0 HD2 PRO A 80 7.566 8.384 -11.869 1.00 65.24 H new ATOM 0 HD3 PRO A 80 6.300 8.238 -13.071 1.00 65.24 H new ATOM 1252 N VAL A 81 7.351 5.763 -9.465 1.00 25.23 N ATOM 1253 CA VAL A 81 8.036 5.229 -8.293 1.00 44.24 C ATOM 1254 C VAL A 81 7.043 4.852 -7.200 1.00 41.31 C ATOM 1255 O VAL A 81 7.322 3.996 -6.361 1.00 35.41 O ATOM 1256 CB VAL A 81 9.049 6.242 -7.725 1.00 75.24 C ATOM 1257 CG1 VAL A 81 8.367 7.569 -7.430 1.00 45.41 C ATOM 1258 CG2 VAL A 81 9.714 5.685 -6.476 1.00 3.21 C ATOM 0 H VAL A 81 7.725 6.649 -9.805 1.00 25.23 H new ATOM 0 HA VAL A 81 8.570 4.336 -8.618 1.00 44.24 H new ATOM 0 HB VAL A 81 9.822 6.417 -8.473 1.00 75.24 H new ATOM 0 HG11 VAL A 81 9.097 8.272 -7.030 1.00 45.41 H new ATOM 0 HG12 VAL A 81 7.942 7.972 -8.349 1.00 45.41 H new ATOM 0 HG13 VAL A 81 7.573 7.415 -6.699 1.00 45.41 H new ATOM 0 HG21 VAL A 81 10.426 6.413 -6.088 1.00 3.21 H new ATOM 0 HG22 VAL A 81 8.956 5.481 -5.720 1.00 3.21 H new ATOM 0 HG23 VAL A 81 10.237 4.761 -6.724 1.00 3.21 H new ATOM 1268 N LYS A 82 5.882 5.498 -7.216 1.00 33.34 N ATOM 1269 CA LYS A 82 4.844 5.230 -6.227 1.00 10.21 C ATOM 1270 C LYS A 82 4.075 3.960 -6.575 1.00 61.33 C ATOM 1271 O LYS A 82 4.112 2.965 -5.851 1.00 70.30 O ATOM 1272 CB LYS A 82 3.879 6.415 -6.137 1.00 31.50 C ATOM 1273 CG LYS A 82 4.069 7.261 -4.890 1.00 44.03 C ATOM 1274 CD LYS A 82 4.041 8.745 -5.214 1.00 43.35 C ATOM 1275 CE LYS A 82 4.897 9.544 -4.244 1.00 5.12 C ATOM 1276 NZ LYS A 82 6.347 9.249 -4.410 1.00 65.53 N ATOM 0 H LYS A 82 5.636 6.211 -7.903 1.00 33.34 H new ATOM 0 HA LYS A 82 5.327 5.087 -5.260 1.00 10.21 H new ATOM 0 HB2 LYS A 82 4.008 7.045 -7.017 1.00 31.50 H new ATOM 0 HB3 LYS A 82 2.855 6.042 -6.160 1.00 31.50 H new ATOM 0 HG2 LYS A 82 3.284 7.030 -4.169 1.00 44.03 H new ATOM 0 HG3 LYS A 82 5.019 7.008 -4.419 1.00 44.03 H new ATOM 0 HD2 LYS A 82 4.399 8.903 -6.231 1.00 43.35 H new ATOM 0 HD3 LYS A 82 3.014 9.107 -5.177 1.00 43.35 H new ATOM 0 HE2 LYS A 82 4.723 10.609 -4.399 1.00 5.12 H new ATOM 0 HE3 LYS A 82 4.595 9.317 -3.222 1.00 5.12 H new ATOM 0 HZ1 LYS A 82 6.907 10.053 -4.061 1.00 65.53 H new ATOM 0 HZ2 LYS A 82 6.592 8.395 -3.869 1.00 65.53 H new ATOM 0 HZ3 LYS A 82 6.556 9.093 -5.417 1.00 65.53 H new ATOM 1290 N PRO A 83 3.362 3.991 -7.711 1.00 64.11 N ATOM 1291 CA PRO A 83 2.573 2.849 -8.182 1.00 61.11 C ATOM 1292 C PRO A 83 3.449 1.691 -8.648 1.00 44.55 C ATOM 1293 O PRO A 83 3.298 0.561 -8.186 1.00 70.52 O ATOM 1294 CB PRO A 83 1.780 3.426 -9.357 1.00 51.40 C ATOM 1295 CG PRO A 83 2.600 4.572 -9.841 1.00 11.20 C ATOM 1296 CD PRO A 83 3.273 5.143 -8.623 1.00 53.35 C ATOM 0 HA PRO A 83 1.948 2.432 -7.392 1.00 61.11 H new ATOM 0 HB2 PRO A 83 1.637 2.683 -10.141 1.00 51.40 H new ATOM 0 HB3 PRO A 83 0.789 3.753 -9.043 1.00 51.40 H new ATOM 0 HG2 PRO A 83 3.335 4.243 -10.575 1.00 11.20 H new ATOM 0 HG3 PRO A 83 1.975 5.320 -10.329 1.00 11.20 H new ATOM 0 HD2 PRO A 83 4.258 5.545 -8.860 1.00 53.35 H new ATOM 0 HD3 PRO A 83 2.693 5.956 -8.187 1.00 53.35 H new ATOM 1304 N ARG A 84 4.366 1.982 -9.566 1.00 71.41 N ATOM 1305 CA ARG A 84 5.266 0.964 -10.095 1.00 40.13 C ATOM 1306 C ARG A 84 5.856 0.121 -8.969 1.00 30.05 C ATOM 1307 O ARG A 84 6.107 -1.072 -9.139 1.00 11.32 O ATOM 1308 CB ARG A 84 6.391 1.617 -10.901 1.00 32.12 C ATOM 1309 CG ARG A 84 7.247 0.623 -11.668 1.00 31.40 C ATOM 1310 CD ARG A 84 8.550 1.253 -12.135 1.00 34.10 C ATOM 1311 NE ARG A 84 8.402 1.922 -13.425 1.00 4.13 N ATOM 1312 CZ ARG A 84 8.209 1.277 -14.570 1.00 34.14 C ATOM 1313 NH1 ARG A 84 8.139 -0.047 -14.585 1.00 33.14 N ATOM 1314 NH2 ARG A 84 8.084 1.956 -15.703 1.00 12.25 N ATOM 0 H ARG A 84 4.505 2.913 -9.958 1.00 71.41 H new ATOM 0 HA ARG A 84 4.690 0.311 -10.750 1.00 40.13 H new ATOM 0 HB2 ARG A 84 5.957 2.328 -11.604 1.00 32.12 H new ATOM 0 HB3 ARG A 84 7.028 2.186 -10.224 1.00 32.12 H new ATOM 0 HG2 ARG A 84 7.464 -0.237 -11.034 1.00 31.40 H new ATOM 0 HG3 ARG A 84 6.692 0.252 -12.529 1.00 31.40 H new ATOM 0 HD2 ARG A 84 8.892 1.972 -11.391 1.00 34.10 H new ATOM 0 HD3 ARG A 84 9.318 0.483 -12.212 1.00 34.10 H new ATOM 0 HE ARG A 84 8.449 2.941 -13.448 1.00 4.13 H new ATOM 0 HH11 ARG A 84 8.233 -0.573 -13.716 1.00 33.14 H new ATOM 0 HH12 ARG A 84 7.991 -0.540 -15.466 1.00 33.14 H new ATOM 0 HH21 ARG A 84 8.136 2.975 -15.696 1.00 12.25 H new ATOM 0 HH22 ARG A 84 7.936 1.459 -16.582 1.00 12.25 H new ATOM 1328 N MET A 85 6.075 0.750 -7.818 1.00 61.24 N ATOM 1329 CA MET A 85 6.635 0.057 -6.664 1.00 31.13 C ATOM 1330 C MET A 85 5.530 -0.559 -5.811 1.00 41.10 C ATOM 1331 O MET A 85 5.566 -1.748 -5.493 1.00 62.34 O ATOM 1332 CB MET A 85 7.470 1.021 -5.819 1.00 13.22 C ATOM 1333 CG MET A 85 8.743 1.485 -6.507 1.00 3.34 C ATOM 1334 SD MET A 85 9.947 0.158 -6.708 1.00 41.21 S ATOM 1335 CE MET A 85 11.165 0.616 -5.478 1.00 4.44 C ATOM 0 H MET A 85 5.873 1.737 -7.660 1.00 61.24 H new ATOM 0 HA MET A 85 7.277 -0.744 -7.029 1.00 31.13 H new ATOM 0 HB2 MET A 85 6.863 1.892 -5.570 1.00 13.22 H new ATOM 0 HB3 MET A 85 7.731 0.535 -4.879 1.00 13.22 H new ATOM 0 HG2 MET A 85 8.494 1.895 -7.486 1.00 3.34 H new ATOM 0 HG3 MET A 85 9.191 2.292 -5.928 1.00 3.34 H new ATOM 0 HE1 MET A 85 11.976 -0.112 -5.481 1.00 4.44 H new ATOM 0 HE2 MET A 85 11.563 1.604 -5.710 1.00 4.44 H new ATOM 0 HE3 MET A 85 10.698 0.635 -4.493 1.00 4.44 H new ATOM 1345 N THR A 86 4.548 0.258 -5.442 1.00 61.13 N ATOM 1346 CA THR A 86 3.434 -0.206 -4.625 1.00 60.24 C ATOM 1347 C THR A 86 2.726 -1.387 -5.280 1.00 45.02 C ATOM 1348 O THR A 86 2.707 -2.491 -4.736 1.00 32.13 O ATOM 1349 CB THR A 86 2.411 0.919 -4.379 1.00 72.35 C ATOM 1350 OG1 THR A 86 3.034 2.004 -3.684 1.00 11.22 O ATOM 1351 CG2 THR A 86 1.227 0.406 -3.574 1.00 14.33 C ATOM 0 H THR A 86 4.502 1.245 -5.696 1.00 61.13 H new ATOM 0 HA THR A 86 3.853 -0.522 -3.669 1.00 60.24 H new ATOM 0 HB THR A 86 2.048 1.269 -5.346 1.00 72.35 H new ATOM 0 HG1 THR A 86 3.416 2.631 -4.333 1.00 11.22 H new ATOM 0 HG21 THR A 86 0.518 1.218 -3.413 1.00 14.33 H new ATOM 0 HG22 THR A 86 0.738 -0.400 -4.120 1.00 14.33 H new ATOM 0 HG23 THR A 86 1.576 0.032 -2.611 1.00 14.33 H new ATOM 1359 N TYR A 87 2.147 -1.148 -6.451 1.00 41.13 N ATOM 1360 CA TYR A 87 1.437 -2.192 -7.180 1.00 35.01 C ATOM 1361 C TYR A 87 2.308 -3.434 -7.339 1.00 73.34 C ATOM 1362 O TYR A 87 1.802 -4.548 -7.470 1.00 34.45 O ATOM 1363 CB TYR A 87 1.003 -1.679 -8.554 1.00 62.54 C ATOM 1364 CG TYR A 87 1.105 -2.719 -9.648 1.00 4.40 C ATOM 1365 CD1 TYR A 87 0.183 -3.754 -9.737 1.00 63.33 C ATOM 1366 CD2 TYR A 87 2.124 -2.666 -10.591 1.00 42.41 C ATOM 1367 CE1 TYR A 87 0.273 -4.706 -10.734 1.00 71.43 C ATOM 1368 CE2 TYR A 87 2.221 -3.612 -11.592 1.00 73.43 C ATOM 1369 CZ TYR A 87 1.293 -4.631 -11.660 1.00 10.14 C ATOM 1370 OH TYR A 87 1.387 -5.577 -12.655 1.00 15.15 O ATOM 0 H TYR A 87 2.155 -0.240 -6.916 1.00 41.13 H new ATOM 0 HA TYR A 87 0.551 -2.463 -6.605 1.00 35.01 H new ATOM 0 HB2 TYR A 87 -0.027 -1.328 -8.493 1.00 62.54 H new ATOM 0 HB3 TYR A 87 1.617 -0.820 -8.823 1.00 62.54 H new ATOM 0 HD1 TYR A 87 -0.618 -3.816 -9.015 1.00 63.33 H new ATOM 0 HD2 TYR A 87 2.853 -1.871 -10.540 1.00 42.41 H new ATOM 0 HE1 TYR A 87 -0.452 -5.505 -10.788 1.00 71.43 H new ATOM 0 HE2 TYR A 87 3.019 -3.555 -12.318 1.00 73.43 H new ATOM 0 HH TYR A 87 0.546 -6.076 -12.712 1.00 15.15 H new ATOM 1380 N ALA A 88 3.621 -3.233 -7.328 1.00 23.24 N ATOM 1381 CA ALA A 88 4.564 -4.336 -7.468 1.00 42.20 C ATOM 1382 C ALA A 88 4.384 -5.358 -6.351 1.00 74.21 C ATOM 1383 O ALA A 88 4.067 -6.520 -6.606 1.00 24.34 O ATOM 1384 CB ALA A 88 5.992 -3.811 -7.480 1.00 3.13 C ATOM 0 H ALA A 88 4.056 -2.317 -7.224 1.00 23.24 H new ATOM 0 HA ALA A 88 4.363 -4.834 -8.416 1.00 42.20 H new ATOM 0 HB1 ALA A 88 6.686 -4.645 -7.585 1.00 3.13 H new ATOM 0 HB2 ALA A 88 6.120 -3.125 -8.317 1.00 3.13 H new ATOM 0 HB3 ALA A 88 6.195 -3.286 -6.546 1.00 3.13 H new ATOM 1390 N SER A 89 4.587 -4.918 -5.114 1.00 22.14 N ATOM 1391 CA SER A 89 4.451 -5.797 -3.958 1.00 1.43 C ATOM 1392 C SER A 89 3.007 -5.829 -3.467 1.00 72.32 C ATOM 1393 O SER A 89 2.700 -6.445 -2.446 1.00 41.42 O ATOM 1394 CB SER A 89 5.375 -5.336 -2.829 1.00 13.44 C ATOM 1395 OG SER A 89 6.587 -4.812 -3.343 1.00 11.10 O ATOM 0 H SER A 89 4.846 -3.958 -4.886 1.00 22.14 H new ATOM 0 HA SER A 89 4.735 -6.804 -4.263 1.00 1.43 H new ATOM 0 HB2 SER A 89 4.872 -4.577 -2.230 1.00 13.44 H new ATOM 0 HB3 SER A 89 5.590 -6.174 -2.166 1.00 13.44 H new ATOM 0 HG SER A 89 7.159 -4.523 -2.602 1.00 11.10 H new ATOM 1401 N SER A 90 2.123 -5.162 -4.203 1.00 24.01 N ATOM 1402 CA SER A 90 0.712 -5.111 -3.842 1.00 15.40 C ATOM 1403 C SER A 90 -0.112 -6.033 -4.736 1.00 3.01 C ATOM 1404 O SER A 90 -1.189 -6.490 -4.352 1.00 64.45 O ATOM 1405 CB SER A 90 0.188 -3.677 -3.949 1.00 71.12 C ATOM 1406 OG SER A 90 -1.070 -3.545 -3.311 1.00 12.44 O ATOM 0 H SER A 90 2.360 -4.650 -5.053 1.00 24.01 H new ATOM 0 HA SER A 90 0.614 -5.451 -2.811 1.00 15.40 H new ATOM 0 HB2 SER A 90 0.903 -2.990 -3.496 1.00 71.12 H new ATOM 0 HB3 SER A 90 0.098 -3.397 -4.998 1.00 71.12 H new ATOM 0 HG SER A 90 -1.382 -2.620 -3.392 1.00 12.44 H new ATOM 1412 N LYS A 91 0.403 -6.302 -5.931 1.00 21.42 N ATOM 1413 CA LYS A 91 -0.281 -7.171 -6.881 1.00 54.12 C ATOM 1414 C LYS A 91 -0.644 -8.504 -6.236 1.00 33.51 C ATOM 1415 O LYS A 91 -1.596 -9.167 -6.650 1.00 41.32 O ATOM 1416 CB LYS A 91 0.598 -7.410 -8.110 1.00 43.34 C ATOM 1417 CG LYS A 91 1.697 -8.434 -7.883 1.00 12.34 C ATOM 1418 CD LYS A 91 2.925 -8.131 -8.724 1.00 50.53 C ATOM 1419 CE LYS A 91 4.141 -8.900 -8.233 1.00 23.31 C ATOM 1420 NZ LYS A 91 4.059 -10.347 -8.579 1.00 2.55 N ATOM 0 H LYS A 91 1.292 -5.930 -6.265 1.00 21.42 H new ATOM 0 HA LYS A 91 -1.201 -6.675 -7.191 1.00 54.12 H new ATOM 0 HB2 LYS A 91 -0.030 -7.741 -8.937 1.00 43.34 H new ATOM 0 HB3 LYS A 91 1.050 -6.465 -8.412 1.00 43.34 H new ATOM 0 HG2 LYS A 91 1.972 -8.446 -6.828 1.00 12.34 H new ATOM 0 HG3 LYS A 91 1.324 -9.429 -8.127 1.00 12.34 H new ATOM 0 HD2 LYS A 91 2.727 -8.388 -9.765 1.00 50.53 H new ATOM 0 HD3 LYS A 91 3.133 -7.061 -8.694 1.00 50.53 H new ATOM 0 HE2 LYS A 91 5.043 -8.472 -8.671 1.00 23.31 H new ATOM 0 HE3 LYS A 91 4.229 -8.789 -7.152 1.00 23.31 H new ATOM 0 HZ1 LYS A 91 4.906 -10.837 -8.227 1.00 2.55 H new ATOM 0 HZ2 LYS A 91 3.212 -10.761 -8.140 1.00 2.55 H new ATOM 0 HZ3 LYS A 91 4.001 -10.454 -9.612 1.00 2.55 H new ATOM 1434 N ASP A 92 0.118 -8.892 -5.219 1.00 44.54 N ATOM 1435 CA ASP A 92 -0.125 -10.145 -4.515 1.00 62.11 C ATOM 1436 C ASP A 92 -1.548 -10.194 -3.968 1.00 1.32 C ATOM 1437 O ASP A 92 -2.093 -11.270 -3.723 1.00 2.41 O ATOM 1438 CB ASP A 92 0.880 -10.317 -3.375 1.00 33.15 C ATOM 1439 CG ASP A 92 2.124 -11.067 -3.807 1.00 60.32 C ATOM 1440 OD1 ASP A 92 2.597 -10.829 -4.938 1.00 32.10 O ATOM 1441 OD2 ASP A 92 2.625 -11.893 -3.015 1.00 73.43 O ATOM 0 H ASP A 92 0.910 -8.356 -4.864 1.00 44.54 H new ATOM 0 HA ASP A 92 -0.000 -10.963 -5.225 1.00 62.11 H new ATOM 0 HB2 ASP A 92 1.165 -9.336 -2.995 1.00 33.15 H new ATOM 0 HB3 ASP A 92 0.404 -10.852 -2.553 1.00 33.15 H new ATOM 1446 N ALA A 93 -2.144 -9.021 -3.777 1.00 64.04 N ATOM 1447 CA ALA A 93 -3.503 -8.930 -3.260 1.00 12.00 C ATOM 1448 C ALA A 93 -4.513 -8.787 -4.393 1.00 54.33 C ATOM 1449 O ALA A 93 -5.426 -9.602 -4.532 1.00 62.53 O ATOM 1450 CB ALA A 93 -3.623 -7.761 -2.293 1.00 23.41 C ATOM 0 H ALA A 93 -1.706 -8.121 -3.973 1.00 64.04 H new ATOM 0 HA ALA A 93 -3.724 -9.854 -2.725 1.00 12.00 H new ATOM 0 HB1 ALA A 93 -4.644 -7.705 -1.915 1.00 23.41 H new ATOM 0 HB2 ALA A 93 -2.935 -7.906 -1.460 1.00 23.41 H new ATOM 0 HB3 ALA A 93 -3.377 -6.834 -2.811 1.00 23.41 H new ATOM 1456 N LEU A 94 -4.346 -7.745 -5.201 1.00 22.23 N ATOM 1457 CA LEU A 94 -5.244 -7.494 -6.323 1.00 20.55 C ATOM 1458 C LEU A 94 -5.481 -8.769 -7.126 1.00 33.44 C ATOM 1459 O LEU A 94 -6.623 -9.183 -7.331 1.00 32.11 O ATOM 1460 CB LEU A 94 -4.667 -6.406 -7.230 1.00 31.51 C ATOM 1461 CG LEU A 94 -4.453 -5.037 -6.584 1.00 32.33 C ATOM 1462 CD1 LEU A 94 -5.447 -4.819 -5.454 1.00 32.24 C ATOM 1463 CD2 LEU A 94 -3.026 -4.905 -6.074 1.00 25.44 C ATOM 0 H LEU A 94 -3.597 -7.060 -5.100 1.00 22.23 H new ATOM 0 HA LEU A 94 -6.200 -7.155 -5.923 1.00 20.55 H new ATOM 0 HB2 LEU A 94 -3.711 -6.755 -7.619 1.00 31.51 H new ATOM 0 HB3 LEU A 94 -5.333 -6.282 -8.084 1.00 31.51 H new ATOM 0 HG LEU A 94 -4.620 -4.270 -7.340 1.00 32.33 H new ATOM 0 HD11 LEU A 94 -5.280 -3.840 -5.006 1.00 32.24 H new ATOM 0 HD12 LEU A 94 -6.462 -4.869 -5.848 1.00 32.24 H new ATOM 0 HD13 LEU A 94 -5.313 -5.592 -4.697 1.00 32.24 H new ATOM 0 HD21 LEU A 94 -2.892 -3.924 -5.617 1.00 25.44 H new ATOM 0 HD22 LEU A 94 -2.831 -5.680 -5.333 1.00 25.44 H new ATOM 0 HD23 LEU A 94 -2.331 -5.016 -6.906 1.00 25.44 H new ATOM 1475 N LEU A 95 -4.396 -9.389 -7.576 1.00 31.22 N ATOM 1476 CA LEU A 95 -4.485 -10.619 -8.355 1.00 35.42 C ATOM 1477 C LEU A 95 -5.281 -11.682 -7.605 1.00 34.55 C ATOM 1478 O LEU A 95 -5.973 -12.500 -8.212 1.00 63.31 O ATOM 1479 CB LEU A 95 -3.086 -11.146 -8.676 1.00 4.03 C ATOM 1480 CG LEU A 95 -2.446 -10.613 -9.958 1.00 62.54 C ATOM 1481 CD1 LEU A 95 -0.948 -10.875 -9.956 1.00 4.41 C ATOM 1482 CD2 LEU A 95 -3.097 -11.244 -11.181 1.00 20.13 C ATOM 0 H LEU A 95 -3.444 -9.060 -7.415 1.00 31.22 H new ATOM 0 HA LEU A 95 -5.003 -10.392 -9.287 1.00 35.42 H new ATOM 0 HB2 LEU A 95 -2.429 -10.908 -7.839 1.00 4.03 H new ATOM 0 HB3 LEU A 95 -3.135 -12.233 -8.743 1.00 4.03 H new ATOM 0 HG LEU A 95 -2.606 -9.536 -10.000 1.00 62.54 H new ATOM 0 HD11 LEU A 95 -0.510 -10.489 -10.876 1.00 4.41 H new ATOM 0 HD12 LEU A 95 -0.493 -10.377 -9.100 1.00 4.41 H new ATOM 0 HD13 LEU A 95 -0.766 -11.948 -9.890 1.00 4.41 H new ATOM 0 HD21 LEU A 95 -2.629 -10.853 -12.085 1.00 20.13 H new ATOM 0 HD22 LEU A 95 -2.968 -12.326 -11.144 1.00 20.13 H new ATOM 0 HD23 LEU A 95 -4.161 -11.005 -11.191 1.00 20.13 H new ATOM 1494 N LYS A 96 -5.181 -11.664 -6.280 1.00 31.02 N ATOM 1495 CA LYS A 96 -5.894 -12.623 -5.445 1.00 22.44 C ATOM 1496 C LYS A 96 -7.328 -12.167 -5.194 1.00 63.33 C ATOM 1497 O LYS A 96 -8.170 -12.948 -4.751 1.00 53.11 O ATOM 1498 CB LYS A 96 -5.166 -12.809 -4.111 1.00 74.20 C ATOM 1499 CG LYS A 96 -3.825 -13.510 -4.242 1.00 74.22 C ATOM 1500 CD LYS A 96 -3.961 -14.843 -4.959 1.00 63.12 C ATOM 1501 CE LYS A 96 -3.650 -14.712 -6.442 1.00 72.14 C ATOM 1502 NZ LYS A 96 -2.458 -15.515 -6.833 1.00 34.24 N ATOM 0 H LYS A 96 -4.612 -10.995 -5.761 1.00 31.02 H new ATOM 0 HA LYS A 96 -5.922 -13.576 -5.973 1.00 22.44 H new ATOM 0 HB2 LYS A 96 -5.013 -11.833 -3.651 1.00 74.20 H new ATOM 0 HB3 LYS A 96 -5.802 -13.383 -3.437 1.00 74.20 H new ATOM 0 HG2 LYS A 96 -3.131 -12.871 -4.788 1.00 74.22 H new ATOM 0 HG3 LYS A 96 -3.399 -13.670 -3.252 1.00 74.22 H new ATOM 0 HD2 LYS A 96 -3.287 -15.571 -4.508 1.00 63.12 H new ATOM 0 HD3 LYS A 96 -4.974 -15.225 -4.831 1.00 63.12 H new ATOM 0 HE2 LYS A 96 -4.513 -15.036 -7.024 1.00 72.14 H new ATOM 0 HE3 LYS A 96 -3.477 -13.664 -6.685 1.00 72.14 H new ATOM 0 HZ1 LYS A 96 -2.280 -15.399 -7.851 1.00 34.24 H new ATOM 0 HZ2 LYS A 96 -1.629 -15.189 -6.297 1.00 34.24 H new ATOM 0 HZ3 LYS A 96 -2.632 -16.519 -6.625 1.00 34.24 H new ATOM 1516 N LYS A 97 -7.599 -10.899 -5.482 1.00 40.22 N ATOM 1517 CA LYS A 97 -8.931 -10.338 -5.291 1.00 75.54 C ATOM 1518 C LYS A 97 -9.750 -10.431 -6.576 1.00 4.15 C ATOM 1519 O LYS A 97 -10.566 -9.556 -6.868 1.00 44.22 O ATOM 1520 CB LYS A 97 -8.834 -8.879 -4.840 1.00 62.42 C ATOM 1521 CG LYS A 97 -8.298 -8.714 -3.429 1.00 13.15 C ATOM 1522 CD LYS A 97 -9.159 -9.450 -2.416 1.00 13.24 C ATOM 1523 CE LYS A 97 -8.383 -10.564 -1.729 1.00 54.43 C ATOM 1524 NZ LYS A 97 -8.975 -10.921 -0.410 1.00 54.34 N ATOM 0 H LYS A 97 -6.913 -10.239 -5.849 1.00 40.22 H new ATOM 0 HA LYS A 97 -9.434 -10.918 -4.517 1.00 75.54 H new ATOM 0 HB2 LYS A 97 -8.189 -8.336 -5.531 1.00 62.42 H new ATOM 0 HB3 LYS A 97 -9.822 -8.422 -4.900 1.00 62.42 H new ATOM 0 HG2 LYS A 97 -7.276 -9.090 -3.381 1.00 13.15 H new ATOM 0 HG3 LYS A 97 -8.260 -7.655 -3.175 1.00 13.15 H new ATOM 0 HD2 LYS A 97 -9.525 -8.746 -1.669 1.00 13.24 H new ATOM 0 HD3 LYS A 97 -10.033 -9.868 -2.915 1.00 13.24 H new ATOM 0 HE2 LYS A 97 -8.368 -11.445 -2.371 1.00 54.43 H new ATOM 0 HE3 LYS A 97 -7.348 -10.253 -1.590 1.00 54.43 H new ATOM 0 HZ1 LYS A 97 -8.238 -11.322 0.204 1.00 54.34 H new ATOM 0 HZ2 LYS A 97 -9.370 -10.068 0.035 1.00 54.34 H new ATOM 0 HZ3 LYS A 97 -9.731 -11.622 -0.547 1.00 54.34 H new ATOM 1538 N LEU A 98 -9.527 -11.496 -7.338 1.00 14.03 N ATOM 1539 CA LEU A 98 -10.246 -11.704 -8.590 1.00 45.44 C ATOM 1540 C LEU A 98 -10.550 -13.183 -8.805 1.00 12.33 C ATOM 1541 O LEU A 98 -10.272 -14.015 -7.942 1.00 23.52 O ATOM 1542 CB LEU A 98 -9.428 -11.164 -9.765 1.00 62.13 C ATOM 1543 CG LEU A 98 -8.734 -9.821 -9.539 1.00 43.52 C ATOM 1544 CD1 LEU A 98 -7.448 -9.741 -10.348 1.00 73.00 C ATOM 1545 CD2 LEU A 98 -9.665 -8.672 -9.899 1.00 43.04 C ATOM 0 H LEU A 98 -8.854 -12.228 -7.111 1.00 14.03 H new ATOM 0 HA LEU A 98 -11.191 -11.163 -8.532 1.00 45.44 H new ATOM 0 HB2 LEU A 98 -8.670 -11.903 -10.024 1.00 62.13 H new ATOM 0 HB3 LEU A 98 -10.088 -11.069 -10.627 1.00 62.13 H new ATOM 0 HG LEU A 98 -8.480 -9.739 -8.482 1.00 43.52 H new ATOM 0 HD11 LEU A 98 -6.968 -8.778 -10.174 1.00 73.00 H new ATOM 0 HD12 LEU A 98 -6.775 -10.542 -10.042 1.00 73.00 H new ATOM 0 HD13 LEU A 98 -7.678 -9.846 -11.408 1.00 73.00 H new ATOM 0 HD21 LEU A 98 -9.154 -7.724 -9.732 1.00 43.04 H new ATOM 0 HD22 LEU A 98 -9.951 -8.750 -10.948 1.00 43.04 H new ATOM 0 HD23 LEU A 98 -10.558 -8.718 -9.275 1.00 43.04 H new ATOM 1557 N ASP A 99 -11.121 -13.502 -9.961 1.00 34.13 N ATOM 1558 CA ASP A 99 -11.461 -14.882 -10.290 1.00 41.54 C ATOM 1559 C ASP A 99 -10.999 -15.233 -11.701 1.00 42.42 C ATOM 1560 O ASP A 99 -11.628 -14.847 -12.685 1.00 74.45 O ATOM 1561 CB ASP A 99 -12.969 -15.102 -10.165 1.00 12.02 C ATOM 1562 CG ASP A 99 -13.770 -14.094 -10.965 1.00 73.12 C ATOM 1563 OD1 ASP A 99 -13.782 -12.905 -10.581 1.00 62.55 O ATOM 1564 OD2 ASP A 99 -14.385 -14.494 -11.976 1.00 10.41 O ATOM 0 H ASP A 99 -11.358 -12.825 -10.686 1.00 34.13 H new ATOM 0 HA ASP A 99 -10.947 -15.535 -9.585 1.00 41.54 H new ATOM 0 HB2 ASP A 99 -13.216 -16.108 -10.503 1.00 12.02 H new ATOM 0 HB3 ASP A 99 -13.256 -15.039 -9.115 1.00 12.02 H new ATOM 1569 N GLY A 100 -9.893 -15.966 -11.791 1.00 52.23 N ATOM 1570 CA GLY A 100 -9.365 -16.355 -13.086 1.00 22.34 C ATOM 1571 C GLY A 100 -8.364 -15.354 -13.628 1.00 72.43 C ATOM 1572 O GLY A 100 -7.986 -15.417 -14.798 1.00 1.33 O ATOM 0 H GLY A 100 -9.354 -16.297 -10.991 1.00 52.23 H new ATOM 0 HA2 GLY A 100 -8.889 -17.332 -13.002 1.00 22.34 H new ATOM 0 HA3 GLY A 100 -10.187 -16.461 -13.793 1.00 22.34 H new ATOM 1576 N ALA A 101 -7.936 -14.428 -12.778 1.00 5.25 N ATOM 1577 CA ALA A 101 -6.973 -13.410 -13.178 1.00 43.54 C ATOM 1578 C ALA A 101 -5.574 -14.001 -13.318 1.00 11.03 C ATOM 1579 O ALA A 101 -4.710 -13.788 -12.466 1.00 53.22 O ATOM 1580 CB ALA A 101 -6.966 -12.265 -12.176 1.00 35.24 C ATOM 0 H ALA A 101 -8.241 -14.361 -11.807 1.00 5.25 H new ATOM 0 HA ALA A 101 -7.275 -13.024 -14.152 1.00 43.54 H new ATOM 0 HB1 ALA A 101 -6.242 -11.513 -12.488 1.00 35.24 H new ATOM 0 HB2 ALA A 101 -7.958 -11.816 -12.129 1.00 35.24 H new ATOM 0 HB3 ALA A 101 -6.693 -12.645 -11.191 1.00 35.24 H new ATOM 1586 N THR A 102 -5.356 -14.746 -14.397 1.00 34.42 N ATOM 1587 CA THR A 102 -4.063 -15.370 -14.647 1.00 33.44 C ATOM 1588 C THR A 102 -2.962 -14.323 -14.769 1.00 20.55 C ATOM 1589 O THR A 102 -3.166 -13.154 -14.445 1.00 50.21 O ATOM 1590 CB THR A 102 -4.089 -16.223 -15.929 1.00 74.30 C ATOM 1591 OG1 THR A 102 -4.071 -15.375 -17.082 1.00 44.42 O ATOM 1592 CG2 THR A 102 -5.326 -17.109 -15.965 1.00 2.21 C ATOM 0 H THR A 102 -6.059 -14.932 -15.112 1.00 34.42 H new ATOM 0 HA THR A 102 -3.854 -16.016 -13.794 1.00 33.44 H new ATOM 0 HB THR A 102 -3.205 -16.860 -15.933 1.00 74.30 H new ATOM 0 HG1 THR A 102 -4.086 -15.925 -17.893 1.00 44.42 H new ATOM 0 HG21 THR A 102 -5.322 -17.702 -16.880 1.00 2.21 H new ATOM 0 HG22 THR A 102 -5.323 -17.774 -15.101 1.00 2.21 H new ATOM 0 HG23 THR A 102 -6.220 -16.486 -15.940 1.00 2.21 H new ATOM 1600 N ALA A 103 -1.795 -14.751 -15.238 1.00 25.32 N ATOM 1601 CA ALA A 103 -0.662 -13.850 -15.405 1.00 4.40 C ATOM 1602 C ALA A 103 -0.703 -13.162 -16.765 1.00 54.04 C ATOM 1603 O ALA A 103 0.287 -12.580 -17.209 1.00 33.11 O ATOM 1604 CB ALA A 103 0.646 -14.608 -15.235 1.00 23.12 C ATOM 0 H ALA A 103 -1.609 -15.717 -15.509 1.00 25.32 H new ATOM 0 HA ALA A 103 -0.726 -13.081 -14.635 1.00 4.40 H new ATOM 0 HB1 ALA A 103 1.483 -13.922 -15.363 1.00 23.12 H new ATOM 0 HB2 ALA A 103 0.685 -15.047 -14.238 1.00 23.12 H new ATOM 0 HB3 ALA A 103 0.708 -15.399 -15.982 1.00 23.12 H new ATOM 1610 N VAL A 104 -1.856 -13.233 -17.424 1.00 63.33 N ATOM 1611 CA VAL A 104 -2.027 -12.617 -18.735 1.00 25.23 C ATOM 1612 C VAL A 104 -1.991 -11.096 -18.636 1.00 35.24 C ATOM 1613 O VAL A 104 -1.974 -10.398 -19.649 1.00 31.30 O ATOM 1614 CB VAL A 104 -3.353 -13.048 -19.389 1.00 0.44 C ATOM 1615 CG1 VAL A 104 -4.536 -12.472 -18.626 1.00 32.05 C ATOM 1616 CG2 VAL A 104 -3.390 -12.620 -20.848 1.00 73.11 C ATOM 0 H VAL A 104 -2.685 -13.711 -17.071 1.00 63.33 H new ATOM 0 HA VAL A 104 -1.198 -12.957 -19.356 1.00 25.23 H new ATOM 0 HB VAL A 104 -3.421 -14.135 -19.351 1.00 0.44 H new ATOM 0 HG11 VAL A 104 -5.464 -12.787 -19.102 1.00 32.05 H new ATOM 0 HG12 VAL A 104 -4.516 -12.832 -17.597 1.00 32.05 H new ATOM 0 HG13 VAL A 104 -4.477 -11.384 -18.631 1.00 32.05 H new ATOM 0 HG21 VAL A 104 -4.334 -12.932 -21.295 1.00 73.11 H new ATOM 0 HG22 VAL A 104 -3.300 -11.536 -20.911 1.00 73.11 H new ATOM 0 HG23 VAL A 104 -2.563 -13.085 -21.385 1.00 73.11 H new ATOM 1626 N ALA A 105 -1.981 -10.589 -17.407 1.00 43.13 N ATOM 1627 CA ALA A 105 -1.945 -9.150 -17.175 1.00 60.33 C ATOM 1628 C ALA A 105 -0.726 -8.518 -17.837 1.00 43.44 C ATOM 1629 O ALA A 105 0.297 -9.175 -18.035 1.00 43.41 O ATOM 1630 CB ALA A 105 -1.949 -8.856 -15.683 1.00 35.25 C ATOM 0 H ALA A 105 -1.997 -11.153 -16.557 1.00 43.13 H new ATOM 0 HA ALA A 105 -2.837 -8.712 -17.623 1.00 60.33 H new ATOM 0 HB1 ALA A 105 -1.922 -7.778 -15.525 1.00 35.25 H new ATOM 0 HB2 ALA A 105 -2.853 -9.266 -15.234 1.00 35.25 H new ATOM 0 HB3 ALA A 105 -1.074 -9.313 -15.220 1.00 35.25 H new ATOM 1636 N LEU A 106 -0.841 -7.239 -18.179 1.00 3.01 N ATOM 1637 CA LEU A 106 0.253 -6.517 -18.820 1.00 52.11 C ATOM 1638 C LEU A 106 0.378 -5.105 -18.256 1.00 73.22 C ATOM 1639 O LEU A 106 -0.533 -4.289 -18.394 1.00 20.33 O ATOM 1640 CB LEU A 106 0.033 -6.457 -20.333 1.00 14.44 C ATOM 1641 CG LEU A 106 0.850 -5.408 -21.089 1.00 31.44 C ATOM 1642 CD1 LEU A 106 2.326 -5.534 -20.746 1.00 64.13 C ATOM 1643 CD2 LEU A 106 0.635 -5.545 -22.589 1.00 11.31 C ATOM 0 H LEU A 106 -1.680 -6.681 -18.023 1.00 3.01 H new ATOM 0 HA LEU A 106 1.179 -7.053 -18.615 1.00 52.11 H new ATOM 0 HB2 LEU A 106 0.261 -7.437 -20.752 1.00 14.44 H new ATOM 0 HB3 LEU A 106 -1.024 -6.268 -20.519 1.00 14.44 H new ATOM 0 HG LEU A 106 0.510 -4.419 -20.783 1.00 31.44 H new ATOM 0 HD11 LEU A 106 2.892 -4.780 -21.293 1.00 64.13 H new ATOM 0 HD12 LEU A 106 2.465 -5.386 -19.675 1.00 64.13 H new ATOM 0 HD13 LEU A 106 2.681 -6.526 -21.024 1.00 64.13 H new ATOM 0 HD21 LEU A 106 1.224 -4.791 -23.111 1.00 11.31 H new ATOM 0 HD22 LEU A 106 0.948 -6.538 -22.912 1.00 11.31 H new ATOM 0 HD23 LEU A 106 -0.421 -5.405 -22.820 1.00 11.31 H new ATOM 1655 N GLU A 107 1.513 -4.825 -17.623 1.00 54.41 N ATOM 1656 CA GLU A 107 1.756 -3.511 -17.040 1.00 4.50 C ATOM 1657 C GLU A 107 2.793 -2.739 -17.852 1.00 13.22 C ATOM 1658 O GLU A 107 3.997 -2.919 -17.672 1.00 52.42 O ATOM 1659 CB GLU A 107 2.228 -3.651 -15.591 1.00 45.53 C ATOM 1660 CG GLU A 107 3.403 -4.599 -15.423 1.00 25.10 C ATOM 1661 CD GLU A 107 4.624 -3.917 -14.836 1.00 21.42 C ATOM 1662 OE1 GLU A 107 4.451 -2.986 -14.022 1.00 75.14 O ATOM 1663 OE2 GLU A 107 5.753 -4.316 -15.190 1.00 64.12 O ATOM 0 H GLU A 107 2.277 -5.489 -17.501 1.00 54.41 H new ATOM 0 HA GLU A 107 0.819 -2.955 -17.057 1.00 4.50 H new ATOM 0 HB2 GLU A 107 2.508 -2.668 -15.212 1.00 45.53 H new ATOM 0 HB3 GLU A 107 1.397 -4.003 -14.980 1.00 45.53 H new ATOM 0 HG2 GLU A 107 3.108 -5.426 -14.777 1.00 25.10 H new ATOM 0 HG3 GLU A 107 3.661 -5.027 -16.392 1.00 25.10 H new ATOM 1670 N ALA A 108 2.315 -1.879 -18.746 1.00 71.50 N ATOM 1671 CA ALA A 108 3.199 -1.079 -19.585 1.00 33.34 C ATOM 1672 C ALA A 108 2.605 0.300 -19.848 1.00 52.32 C ATOM 1673 O ALA A 108 1.387 0.454 -19.949 1.00 1.20 O ATOM 1674 CB ALA A 108 3.474 -1.797 -20.898 1.00 35.45 C ATOM 0 H ALA A 108 1.321 -1.719 -18.908 1.00 71.50 H new ATOM 0 HA ALA A 108 4.141 -0.945 -19.053 1.00 33.34 H new ATOM 0 HB1 ALA A 108 4.135 -1.188 -21.514 1.00 35.45 H new ATOM 0 HB2 ALA A 108 3.949 -2.757 -20.695 1.00 35.45 H new ATOM 0 HB3 ALA A 108 2.535 -1.961 -21.426 1.00 35.45 H new ATOM 1680 N HIS A 109 3.472 1.302 -19.958 1.00 60.34 N ATOM 1681 CA HIS A 109 3.032 2.669 -20.210 1.00 45.54 C ATOM 1682 C HIS A 109 3.358 3.090 -21.641 1.00 33.15 C ATOM 1683 O HIS A 109 4.501 3.416 -21.956 1.00 3.51 O ATOM 1684 CB HIS A 109 3.693 3.630 -19.221 1.00 41.23 C ATOM 1685 CG HIS A 109 3.654 5.062 -19.660 1.00 35.24 C ATOM 1686 ND1 HIS A 109 2.505 5.681 -20.105 1.00 13.25 N ATOM 1687 CD2 HIS A 109 4.630 5.997 -19.718 1.00 2.22 C ATOM 1688 CE1 HIS A 109 2.777 6.935 -20.419 1.00 53.12 C ATOM 1689 NE2 HIS A 109 4.060 7.152 -20.193 1.00 52.42 N ATOM 0 H HIS A 109 4.483 1.192 -19.877 1.00 60.34 H new ATOM 0 HA HIS A 109 1.951 2.707 -20.076 1.00 45.54 H new ATOM 0 HB2 HIS A 109 3.197 3.541 -18.254 1.00 41.23 H new ATOM 0 HB3 HIS A 109 4.731 3.331 -19.075 1.00 41.23 H new ATOM 0 HD1 HIS A 109 1.588 5.240 -20.180 1.00 13.25 H new ATOM 0 HD2 HIS A 109 5.665 5.860 -19.442 1.00 2.22 H new ATOM 0 HE1 HIS A 109 2.070 7.659 -20.796 1.00 53.12 H new ATOM 1697 N GLU A 110 2.344 3.078 -22.501 1.00 2.13 N ATOM 1698 CA GLU A 110 2.524 3.457 -23.897 1.00 61.24 C ATOM 1699 C GLU A 110 1.185 3.797 -24.546 1.00 2.14 C ATOM 1700 O GLU A 110 0.137 3.313 -24.120 1.00 71.22 O ATOM 1701 CB GLU A 110 3.205 2.326 -24.672 1.00 4.54 C ATOM 1702 CG GLU A 110 2.734 0.940 -24.266 1.00 1.24 C ATOM 1703 CD GLU A 110 2.915 -0.084 -25.369 1.00 24.01 C ATOM 1704 OE1 GLU A 110 2.482 0.187 -26.508 1.00 42.32 O ATOM 1705 OE2 GLU A 110 3.491 -1.157 -25.092 1.00 61.34 O ATOM 0 H GLU A 110 1.391 2.810 -22.255 1.00 2.13 H new ATOM 0 HA GLU A 110 3.159 4.343 -23.927 1.00 61.24 H new ATOM 0 HB2 GLU A 110 3.021 2.465 -25.737 1.00 4.54 H new ATOM 0 HB3 GLU A 110 4.283 2.392 -24.523 1.00 4.54 H new ATOM 0 HG2 GLU A 110 3.285 0.618 -23.382 1.00 1.24 H new ATOM 0 HG3 GLU A 110 1.681 0.985 -23.987 1.00 1.24 H new ATOM 1712 N MET A 111 1.230 4.634 -25.577 1.00 74.22 N ATOM 1713 CA MET A 111 0.021 5.039 -26.285 1.00 35.31 C ATOM 1714 C MET A 111 -0.578 3.865 -27.054 1.00 13.15 C ATOM 1715 O MET A 111 -1.780 3.830 -27.314 1.00 32.44 O ATOM 1716 CB MET A 111 0.327 6.189 -27.245 1.00 43.34 C ATOM 1717 CG MET A 111 -0.833 6.541 -28.162 1.00 50.41 C ATOM 1718 SD MET A 111 -0.599 5.934 -29.844 1.00 21.35 S ATOM 1719 CE MET A 111 -1.344 7.260 -30.790 1.00 23.25 C ATOM 0 H MET A 111 2.090 5.045 -25.941 1.00 74.22 H new ATOM 0 HA MET A 111 -0.706 5.376 -25.546 1.00 35.31 H new ATOM 0 HB2 MET A 111 0.602 7.071 -26.666 1.00 43.34 H new ATOM 0 HB3 MET A 111 1.192 5.924 -27.853 1.00 43.34 H new ATOM 0 HG2 MET A 111 -1.753 6.123 -27.754 1.00 50.41 H new ATOM 0 HG3 MET A 111 -0.957 7.624 -28.185 1.00 50.41 H new ATOM 0 HE1 MET A 111 -1.277 7.030 -31.853 1.00 23.25 H new ATOM 0 HE2 MET A 111 -2.391 7.365 -30.507 1.00 23.25 H new ATOM 0 HE3 MET A 111 -0.818 8.192 -30.586 1.00 23.25 H new ATOM 1729 N GLY A 112 0.269 2.906 -27.415 1.00 34.11 N ATOM 1730 CA GLY A 112 -0.196 1.745 -28.151 1.00 31.54 C ATOM 1731 C GLY A 112 -1.162 0.897 -27.346 1.00 63.13 C ATOM 1732 O GLY A 112 -1.863 0.050 -27.899 1.00 72.50 O ATOM 0 H GLY A 112 1.268 2.912 -27.211 1.00 34.11 H new ATOM 0 HA2 GLY A 112 -0.683 2.072 -29.070 1.00 31.54 H new ATOM 0 HA3 GLY A 112 0.660 1.137 -28.443 1.00 31.54 H new ATOM 1736 N ASP A 113 -1.197 1.124 -26.038 1.00 31.10 N ATOM 1737 CA ASP A 113 -2.084 0.374 -25.156 1.00 25.14 C ATOM 1738 C ASP A 113 -3.540 0.758 -25.395 1.00 34.03 C ATOM 1739 O ASP A 113 -4.441 -0.074 -25.275 1.00 23.22 O ATOM 1740 CB ASP A 113 -1.711 0.622 -23.693 1.00 32.30 C ATOM 1741 CG ASP A 113 -2.234 -0.462 -22.771 1.00 13.12 C ATOM 1742 OD1 ASP A 113 -2.170 -1.649 -23.154 1.00 32.24 O ATOM 1743 OD2 ASP A 113 -2.707 -0.123 -21.666 1.00 11.00 O ATOM 0 H ASP A 113 -0.622 1.821 -25.565 1.00 31.10 H new ATOM 0 HA ASP A 113 -1.966 -0.687 -25.378 1.00 25.14 H new ATOM 0 HB2 ASP A 113 -0.626 0.680 -23.602 1.00 32.30 H new ATOM 0 HB3 ASP A 113 -2.109 1.586 -23.378 1.00 32.30 H new ATOM 1748 N LEU A 114 -3.766 2.023 -25.732 1.00 64.11 N ATOM 1749 CA LEU A 114 -5.114 2.518 -25.987 1.00 42.32 C ATOM 1750 C LEU A 114 -5.418 2.524 -27.482 1.00 32.02 C ATOM 1751 O LEU A 114 -6.441 3.053 -27.915 1.00 12.30 O ATOM 1752 CB LEU A 114 -5.277 3.928 -25.417 1.00 3.24 C ATOM 1753 CG LEU A 114 -4.829 4.122 -23.967 1.00 62.35 C ATOM 1754 CD1 LEU A 114 -5.156 5.529 -23.491 1.00 64.51 C ATOM 1755 CD2 LEU A 114 -5.482 3.086 -23.064 1.00 71.34 C ATOM 0 H LEU A 114 -3.033 2.725 -25.835 1.00 64.11 H new ATOM 0 HA LEU A 114 -5.819 1.849 -25.494 1.00 42.32 H new ATOM 0 HB2 LEU A 114 -4.716 4.619 -26.045 1.00 3.24 H new ATOM 0 HB3 LEU A 114 -6.327 4.210 -25.493 1.00 3.24 H new ATOM 0 HG LEU A 114 -3.748 3.987 -23.919 1.00 62.35 H new ATOM 0 HD11 LEU A 114 -4.830 5.648 -22.458 1.00 64.51 H new ATOM 0 HD12 LEU A 114 -4.641 6.255 -24.120 1.00 64.51 H new ATOM 0 HD13 LEU A 114 -6.232 5.693 -23.553 1.00 64.51 H new ATOM 0 HD21 LEU A 114 -5.152 3.239 -22.037 1.00 71.34 H new ATOM 0 HD22 LEU A 114 -6.566 3.189 -23.116 1.00 71.34 H new ATOM 0 HD23 LEU A 114 -5.197 2.086 -23.392 1.00 71.34 H new ATOM 1767 N ALA A 115 -4.524 1.930 -28.265 1.00 23.42 N ATOM 1768 CA ALA A 115 -4.699 1.862 -29.710 1.00 43.43 C ATOM 1769 C ALA A 115 -5.778 0.852 -30.086 1.00 45.43 C ATOM 1770 O ALA A 115 -6.794 1.191 -30.692 1.00 75.34 O ATOM 1771 CB ALA A 115 -3.382 1.507 -30.385 1.00 52.44 C ATOM 0 H ALA A 115 -3.671 1.489 -27.922 1.00 23.42 H new ATOM 0 HA ALA A 115 -5.020 2.843 -30.059 1.00 43.43 H new ATOM 0 HB1 ALA A 115 -3.527 1.460 -31.464 1.00 52.44 H new ATOM 0 HB2 ALA A 115 -2.637 2.268 -30.152 1.00 52.44 H new ATOM 0 HB3 ALA A 115 -3.037 0.539 -30.023 1.00 52.44 H new ATOM 1777 N PRO A 116 -5.553 -0.418 -29.720 1.00 71.32 N ATOM 1778 CA PRO A 116 -6.495 -1.504 -30.009 1.00 51.42 C ATOM 1779 C PRO A 116 -7.777 -1.391 -29.191 1.00 72.55 C ATOM 1780 O PRO A 116 -8.727 -2.148 -29.400 1.00 2.03 O ATOM 1781 CB PRO A 116 -5.718 -2.762 -29.615 1.00 60.13 C ATOM 1782 CG PRO A 116 -4.732 -2.296 -28.600 1.00 61.33 C ATOM 1783 CD PRO A 116 -4.363 -0.893 -28.995 1.00 65.23 C ATOM 0 HA PRO A 116 -6.820 -1.496 -31.049 1.00 51.42 H new ATOM 0 HB2 PRO A 116 -6.380 -3.524 -29.203 1.00 60.13 H new ATOM 0 HB3 PRO A 116 -5.219 -3.205 -30.477 1.00 60.13 H new ATOM 0 HG2 PRO A 116 -5.162 -2.319 -27.599 1.00 61.33 H new ATOM 0 HG3 PRO A 116 -3.853 -2.941 -28.585 1.00 61.33 H new ATOM 0 HD2 PRO A 116 -4.149 -0.273 -28.124 1.00 65.23 H new ATOM 0 HD3 PRO A 116 -3.474 -0.874 -29.626 1.00 65.23 H new ATOM 1791 N LEU A 117 -7.799 -0.443 -28.261 1.00 60.42 N ATOM 1792 CA LEU A 117 -8.966 -0.232 -27.412 1.00 1.33 C ATOM 1793 C LEU A 117 -10.256 -0.362 -28.216 1.00 24.34 C ATOM 1794 O LEU A 117 -10.332 0.079 -29.362 1.00 5.02 O ATOM 1795 CB LEU A 117 -8.899 1.148 -26.754 1.00 21.30 C ATOM 1796 CG LEU A 117 -9.531 2.297 -27.539 1.00 54.23 C ATOM 1797 CD1 LEU A 117 -8.994 2.331 -28.962 1.00 35.13 C ATOM 1798 CD2 LEU A 117 -11.048 2.170 -27.543 1.00 22.14 C ATOM 0 H LEU A 117 -7.022 0.192 -28.076 1.00 60.42 H new ATOM 0 HA LEU A 117 -8.964 -0.999 -26.637 1.00 1.33 H new ATOM 0 HB2 LEU A 117 -9.386 1.088 -25.781 1.00 21.30 H new ATOM 0 HB3 LEU A 117 -7.852 1.391 -26.572 1.00 21.30 H new ATOM 0 HG LEU A 117 -9.266 3.234 -27.050 1.00 54.23 H new ATOM 0 HD11 LEU A 117 -9.455 3.156 -29.505 1.00 35.13 H new ATOM 0 HD12 LEU A 117 -7.913 2.471 -28.940 1.00 35.13 H new ATOM 0 HD13 LEU A 117 -9.228 1.391 -29.462 1.00 35.13 H new ATOM 0 HD21 LEU A 117 -11.481 2.997 -28.106 1.00 22.14 H new ATOM 0 HD22 LEU A 117 -11.333 1.226 -28.007 1.00 22.14 H new ATOM 0 HD23 LEU A 117 -11.418 2.196 -26.518 1.00 22.14 H new ATOM 1810 N ALA A 118 -11.268 -0.970 -27.605 1.00 51.35 N ATOM 1811 CA ALA A 118 -12.556 -1.154 -28.263 1.00 20.43 C ATOM 1812 C ALA A 118 -12.382 -1.756 -29.653 1.00 24.42 C ATOM 1813 O ALA A 118 -13.226 -2.523 -30.118 1.00 51.42 O ATOM 1814 CB ALA A 118 -13.299 0.170 -28.349 1.00 14.45 C ATOM 0 H ALA A 118 -11.221 -1.343 -26.657 1.00 51.35 H new ATOM 0 HA ALA A 118 -13.144 -1.850 -27.665 1.00 20.43 H new ATOM 0 HB1 ALA A 118 -14.259 0.017 -28.843 1.00 14.45 H new ATOM 0 HB2 ALA A 118 -13.465 0.560 -27.345 1.00 14.45 H new ATOM 0 HB3 ALA A 118 -12.706 0.883 -28.921 1.00 14.45 H new TER 1820 ALA A 118