USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1287 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 168 HIS : no HE2:sc= -0.344 K(o=-0.4,f=-2.7) USER MOD Set 1.2: A 169 HIS : no HD1:sc= -0.0594 X(o=-0.4,f=-0.29) USER MOD Set 2.1: A 80 THR OG1 : rot 170:sc= -0.171 USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 109 HIS : no HD1:sc= -2.25! C(o=-2.4!,f=-5.4!) USER MOD Set 3.1: A 108 THR OG1 : rot 137:sc= 1.18 USER MOD Set 3.2: A 127 SER OG : rot -61:sc= 1.13 USER MOD Single : A 1 THR N :NH3+ -153:sc= 0.378 (180deg=0.108) USER MOD Single : A 1 THR OG1 : rot -147:sc= 0.0195 USER MOD Single : A 4 SER OG : rot -102:sc= 0.353 USER MOD Single : A 7 LYS NZ :NH3+ -142:sc= -0.369 (180deg=-2.14!) USER MOD Single : A 13 SER OG : rot 180:sc=-0.00248 USER MOD Single : A 15 SER OG : rot 180:sc= -0.057 USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 0.486 (180deg=0.163) USER MOD Single : A 36 GLN : amide:sc= -0.0115 K(o=-0.012,f=-0.95) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 60 LYS NZ :NH3+ -137:sc= -0.567 (180deg=-2.78!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 160:sc= -0.0606 (180deg=-0.408) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.018 (180deg=-0.166) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 87 HIS : +bothHN:sc= 0.516 K(o=0.52,f=-2.1) USER MOD Single : A 98 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.029) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 134:sc=-0.00754 (180deg=-0.45) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 85:sc= 0.654 USER MOD Single : A 123 MET CE :methyl 144:sc= -0.336 (180deg=-1.72) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 43:sc= -0.669 USER MOD Single : A 131 SER OG : rot -86:sc= 0.352 USER MOD Single : A 134 GLN : amide:sc= -1 K(o=-1,f=-6.7!) USER MOD Single : A 135 MET CE :methyl -147:sc= -0.621 (180deg=-1.05) USER MOD Single : A 136 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.14) USER MOD Single : A 137 LYS NZ :NH3+ -173:sc= 0.539 (180deg=0.372) USER MOD Single : A 138 MET CE :methyl 144:sc= -0.79 (180deg=-4.07!) USER MOD Single : A 141 MET CE :methyl 149:sc= -0.0621 (180deg=-0.566) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 MET CE :methyl -128:sc= -0.893 (180deg=-1.35) USER MOD Single : A 153 GLN : amide:sc= -1.41 K(o=-1.4,f=-5.1!) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 163 ASN : amide:sc= -0.687 K(o=-0.69,f=-1.8!) USER MOD Single : A 167 HIS : no HD1:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 170 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 171 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 172 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -11.914 1.936 -7.549 1.00 53.32 N ATOM 2 CA THR A 1 -11.736 1.637 -8.996 1.00 24.31 C ATOM 3 C THR A 1 -10.908 0.365 -9.201 1.00 22.32 C ATOM 4 O THR A 1 -11.459 -0.681 -9.557 1.00 51.13 O ATOM 5 CB THR A 1 -11.070 2.826 -9.779 1.00 64.35 C ATOM 6 OG1 THR A 1 -9.956 3.353 -9.034 1.00 64.45 O ATOM 7 CG2 THR A 1 -12.067 3.941 -10.102 1.00 23.10 C ATOM 0 H1 THR A 1 -12.794 2.472 -7.411 1.00 53.32 H new ATOM 0 H2 THR A 1 -11.964 1.046 -7.014 1.00 53.32 H new ATOM 0 H3 THR A 1 -11.108 2.499 -7.209 1.00 53.32 H new ATOM 0 HA THR A 1 -12.737 1.487 -9.399 1.00 24.31 H new ATOM 0 HB THR A 1 -10.714 2.427 -10.729 1.00 64.35 H new ATOM 0 HG1 THR A 1 -9.882 4.317 -9.194 1.00 64.45 H new ATOM 0 HG21 THR A 1 -11.558 4.739 -10.643 1.00 23.10 H new ATOM 0 HG22 THR A 1 -12.873 3.541 -10.718 1.00 23.10 H new ATOM 0 HG23 THR A 1 -12.481 4.338 -9.175 1.00 23.10 H new ATOM 17 N VAL A 2 -9.585 0.475 -8.940 1.00 0.14 N ATOM 18 CA VAL A 2 -8.585 -0.551 -9.308 1.00 52.13 C ATOM 19 C VAL A 2 -8.724 -0.903 -10.820 1.00 40.13 C ATOM 20 O VAL A 2 -9.188 -1.987 -11.194 1.00 25.33 O ATOM 21 CB VAL A 2 -8.670 -1.838 -8.394 1.00 75.32 C ATOM 22 CG1 VAL A 2 -7.511 -2.822 -8.682 1.00 32.24 C ATOM 23 CG2 VAL A 2 -8.707 -1.463 -6.895 1.00 43.53 C ATOM 0 H VAL A 2 -9.180 1.282 -8.466 1.00 0.14 H new ATOM 0 HA VAL A 2 -7.594 -0.132 -9.135 1.00 52.13 H new ATOM 0 HB VAL A 2 -9.604 -2.343 -8.641 1.00 75.32 H new ATOM 0 HG11 VAL A 2 -7.604 -3.694 -8.034 1.00 32.24 H new ATOM 0 HG12 VAL A 2 -7.553 -3.138 -9.724 1.00 32.24 H new ATOM 0 HG13 VAL A 2 -6.558 -2.328 -8.491 1.00 32.24 H new ATOM 0 HG21 VAL A 2 -8.765 -2.371 -6.294 1.00 43.53 H new ATOM 0 HG22 VAL A 2 -7.802 -0.913 -6.635 1.00 43.53 H new ATOM 0 HG23 VAL A 2 -9.579 -0.840 -6.697 1.00 43.53 H new ATOM 33 N VAL A 3 -8.389 0.080 -11.681 1.00 55.11 N ATOM 34 CA VAL A 3 -8.629 -0.010 -13.142 1.00 61.51 C ATOM 35 C VAL A 3 -7.723 -1.066 -13.835 1.00 52.14 C ATOM 36 O VAL A 3 -8.052 -1.552 -14.924 1.00 51.34 O ATOM 37 CB VAL A 3 -8.483 1.398 -13.839 1.00 4.44 C ATOM 38 CG1 VAL A 3 -9.539 2.397 -13.299 1.00 24.22 C ATOM 39 CG2 VAL A 3 -7.052 1.974 -13.674 1.00 22.42 C ATOM 0 H VAL A 3 -7.948 0.952 -11.390 1.00 55.11 H new ATOM 0 HA VAL A 3 -9.659 -0.347 -13.262 1.00 61.51 H new ATOM 0 HB VAL A 3 -8.660 1.252 -14.905 1.00 4.44 H new ATOM 0 HG11 VAL A 3 -9.417 3.360 -13.796 1.00 24.22 H new ATOM 0 HG12 VAL A 3 -10.539 2.011 -13.497 1.00 24.22 H new ATOM 0 HG13 VAL A 3 -9.404 2.523 -12.225 1.00 24.22 H new ATOM 0 HG21 VAL A 3 -6.991 2.944 -14.167 1.00 22.42 H new ATOM 0 HG22 VAL A 3 -6.827 2.091 -12.614 1.00 22.42 H new ATOM 0 HG23 VAL A 3 -6.331 1.292 -14.125 1.00 22.42 H new ATOM 49 N SER A 4 -6.597 -1.438 -13.188 1.00 71.43 N ATOM 50 CA SER A 4 -5.656 -2.451 -13.721 1.00 12.21 C ATOM 51 C SER A 4 -4.905 -3.171 -12.573 1.00 73.23 C ATOM 52 O SER A 4 -4.514 -2.544 -11.588 1.00 42.21 O ATOM 53 CB SER A 4 -4.645 -1.787 -14.688 1.00 65.53 C ATOM 54 OG SER A 4 -3.773 -2.738 -15.270 1.00 63.21 O ATOM 0 H SER A 4 -6.315 -1.049 -12.288 1.00 71.43 H new ATOM 0 HA SER A 4 -6.234 -3.196 -14.269 1.00 12.21 H new ATOM 0 HB2 SER A 4 -5.186 -1.261 -15.474 1.00 65.53 H new ATOM 0 HB3 SER A 4 -4.062 -1.041 -14.148 1.00 65.53 H new ATOM 0 HG SER A 4 -2.904 -2.705 -14.818 1.00 63.21 H new ATOM 60 N VAL A 5 -4.745 -4.505 -12.701 1.00 3.30 N ATOM 61 CA VAL A 5 -3.925 -5.333 -11.777 1.00 1.23 C ATOM 62 C VAL A 5 -2.839 -6.073 -12.589 1.00 33.22 C ATOM 63 O VAL A 5 -3.150 -6.968 -13.381 1.00 62.25 O ATOM 64 CB VAL A 5 -4.793 -6.385 -10.974 1.00 72.14 C ATOM 65 CG1 VAL A 5 -3.914 -7.243 -10.012 1.00 4.33 C ATOM 66 CG2 VAL A 5 -5.934 -5.690 -10.193 1.00 13.41 C ATOM 0 H VAL A 5 -5.180 -5.045 -13.449 1.00 3.30 H new ATOM 0 HA VAL A 5 -3.472 -4.663 -11.047 1.00 1.23 H new ATOM 0 HB VAL A 5 -5.240 -7.058 -11.706 1.00 72.14 H new ATOM 0 HG11 VAL A 5 -4.546 -7.953 -9.478 1.00 4.33 H new ATOM 0 HG12 VAL A 5 -3.165 -7.785 -10.590 1.00 4.33 H new ATOM 0 HG13 VAL A 5 -3.416 -6.590 -9.295 1.00 4.33 H new ATOM 0 HG21 VAL A 5 -6.513 -6.438 -9.651 1.00 13.41 H new ATOM 0 HG22 VAL A 5 -5.509 -4.978 -9.485 1.00 13.41 H new ATOM 0 HG23 VAL A 5 -6.585 -5.164 -10.891 1.00 13.41 H new ATOM 76 N ASP A 6 -1.573 -5.676 -12.408 1.00 33.13 N ATOM 77 CA ASP A 6 -0.411 -6.307 -13.074 1.00 71.30 C ATOM 78 C ASP A 6 0.486 -7.017 -12.039 1.00 5.21 C ATOM 79 O ASP A 6 0.760 -6.467 -10.975 1.00 20.03 O ATOM 80 CB ASP A 6 0.416 -5.237 -13.836 1.00 23.54 C ATOM 81 CG ASP A 6 -0.384 -4.552 -14.954 1.00 11.34 C ATOM 82 OD1 ASP A 6 -0.418 -5.085 -16.086 1.00 51.14 O ATOM 83 OD2 ASP A 6 -0.983 -3.483 -14.710 1.00 23.34 O ATOM 0 H ASP A 6 -1.318 -4.904 -11.793 1.00 33.13 H new ATOM 0 HA ASP A 6 -0.782 -7.046 -13.784 1.00 71.30 H new ATOM 0 HB2 ASP A 6 0.764 -4.483 -13.130 1.00 23.54 H new ATOM 0 HB3 ASP A 6 1.302 -5.706 -14.264 1.00 23.54 H new ATOM 88 N LYS A 7 0.934 -8.243 -12.360 1.00 44.13 N ATOM 89 CA LYS A 7 1.940 -8.975 -11.561 1.00 42.21 C ATOM 90 C LYS A 7 3.000 -9.596 -12.498 1.00 71.32 C ATOM 91 O LYS A 7 2.665 -10.176 -13.537 1.00 2.52 O ATOM 92 CB LYS A 7 1.264 -10.065 -10.684 1.00 75.21 C ATOM 93 CG LYS A 7 2.213 -10.750 -9.668 1.00 62.03 C ATOM 94 CD LYS A 7 1.512 -11.769 -8.724 1.00 54.42 C ATOM 95 CE LYS A 7 1.147 -13.116 -9.395 1.00 64.23 C ATOM 96 NZ LYS A 7 0.024 -13.011 -10.363 1.00 65.21 N ATOM 0 H LYS A 7 0.611 -8.757 -13.180 1.00 44.13 H new ATOM 0 HA LYS A 7 2.435 -8.274 -10.889 1.00 42.21 H new ATOM 0 HB2 LYS A 7 0.434 -9.613 -10.140 1.00 75.21 H new ATOM 0 HB3 LYS A 7 0.839 -10.827 -11.337 1.00 75.21 H new ATOM 0 HG2 LYS A 7 3.003 -11.264 -10.216 1.00 62.03 H new ATOM 0 HG3 LYS A 7 2.693 -9.982 -9.062 1.00 62.03 H new ATOM 0 HD2 LYS A 7 2.164 -11.966 -7.873 1.00 54.42 H new ATOM 0 HD3 LYS A 7 0.603 -11.315 -8.330 1.00 54.42 H new ATOM 0 HE2 LYS A 7 2.025 -13.506 -9.910 1.00 64.23 H new ATOM 0 HE3 LYS A 7 0.884 -13.838 -8.622 1.00 64.23 H new ATOM 0 HZ1 LYS A 7 -0.576 -13.857 -10.292 1.00 65.21 H new ATOM 0 HZ2 LYS A 7 -0.542 -12.166 -10.147 1.00 65.21 H new ATOM 0 HZ3 LYS A 7 0.404 -12.936 -11.328 1.00 65.21 H new ATOM 110 N ASP A 8 4.278 -9.462 -12.118 1.00 73.13 N ATOM 111 CA ASP A 8 5.416 -10.038 -12.857 1.00 75.04 C ATOM 112 C ASP A 8 6.208 -10.955 -11.899 1.00 73.42 C ATOM 113 O ASP A 8 6.953 -10.474 -11.043 1.00 65.33 O ATOM 114 CB ASP A 8 6.313 -8.896 -13.423 1.00 72.10 C ATOM 115 CG ASP A 8 7.261 -9.337 -14.559 1.00 22.25 C ATOM 116 OD1 ASP A 8 7.871 -10.423 -14.469 1.00 3.02 O ATOM 117 OD2 ASP A 8 7.420 -8.584 -15.545 1.00 0.10 O ATOM 0 H ASP A 8 4.556 -8.947 -11.283 1.00 73.13 H new ATOM 0 HA ASP A 8 5.063 -10.629 -13.703 1.00 75.04 H new ATOM 0 HB2 ASP A 8 5.672 -8.095 -13.791 1.00 72.10 H new ATOM 0 HB3 ASP A 8 6.908 -8.480 -12.610 1.00 72.10 H new ATOM 122 N VAL A 9 6.034 -12.276 -12.054 1.00 54.32 N ATOM 123 CA VAL A 9 6.663 -13.286 -11.175 1.00 43.41 C ATOM 124 C VAL A 9 8.175 -13.442 -11.477 1.00 1.14 C ATOM 125 O VAL A 9 8.966 -13.729 -10.578 1.00 12.12 O ATOM 126 CB VAL A 9 5.917 -14.667 -11.295 1.00 62.41 C ATOM 127 CG1 VAL A 9 6.494 -15.730 -10.322 1.00 3.11 C ATOM 128 CG2 VAL A 9 4.390 -14.489 -11.074 1.00 44.41 C ATOM 0 H VAL A 9 5.455 -12.679 -12.790 1.00 54.32 H new ATOM 0 HA VAL A 9 6.572 -12.935 -10.147 1.00 43.41 H new ATOM 0 HB VAL A 9 6.082 -15.035 -12.308 1.00 62.41 H new ATOM 0 HG11 VAL A 9 5.948 -16.666 -10.440 1.00 3.11 H new ATOM 0 HG12 VAL A 9 7.548 -15.894 -10.546 1.00 3.11 H new ATOM 0 HG13 VAL A 9 6.391 -15.378 -9.296 1.00 3.11 H new ATOM 0 HG21 VAL A 9 3.895 -15.456 -11.161 1.00 44.41 H new ATOM 0 HG22 VAL A 9 4.212 -14.078 -10.080 1.00 44.41 H new ATOM 0 HG23 VAL A 9 3.991 -13.807 -11.825 1.00 44.41 H new ATOM 138 N GLU A 10 8.568 -13.216 -12.742 1.00 44.44 N ATOM 139 CA GLU A 10 9.981 -13.349 -13.187 1.00 71.43 C ATOM 140 C GLU A 10 10.847 -12.155 -12.730 1.00 41.42 C ATOM 141 O GLU A 10 12.016 -12.322 -12.375 1.00 23.01 O ATOM 142 CB GLU A 10 10.031 -13.496 -14.730 1.00 74.52 C ATOM 143 CG GLU A 10 9.210 -14.688 -15.256 1.00 3.50 C ATOM 144 CD GLU A 10 9.369 -14.930 -16.765 1.00 21.51 C ATOM 145 OE1 GLU A 10 8.694 -14.250 -17.562 1.00 11.51 O ATOM 146 OE2 GLU A 10 10.167 -15.808 -17.159 1.00 54.02 O ATOM 0 H GLU A 10 7.927 -12.938 -13.485 1.00 44.44 H new ATOM 0 HA GLU A 10 10.396 -14.243 -12.722 1.00 71.43 H new ATOM 0 HB2 GLU A 10 9.660 -12.579 -15.187 1.00 74.52 H new ATOM 0 HB3 GLU A 10 11.069 -13.612 -15.043 1.00 74.52 H new ATOM 0 HG2 GLU A 10 9.509 -15.588 -14.719 1.00 3.50 H new ATOM 0 HG3 GLU A 10 8.157 -14.519 -15.033 1.00 3.50 H new ATOM 153 N ALA A 11 10.255 -10.955 -12.749 1.00 55.31 N ATOM 154 CA ALA A 11 10.932 -9.697 -12.342 1.00 70.13 C ATOM 155 C ALA A 11 10.596 -9.301 -10.880 1.00 43.10 C ATOM 156 O ALA A 11 11.023 -8.233 -10.421 1.00 52.00 O ATOM 157 CB ALA A 11 10.556 -8.571 -13.320 1.00 42.21 C ATOM 0 H ALA A 11 9.289 -10.818 -13.047 1.00 55.31 H new ATOM 0 HA ALA A 11 12.009 -9.862 -12.380 1.00 70.13 H new ATOM 0 HB1 ALA A 11 11.053 -7.648 -13.021 1.00 42.21 H new ATOM 0 HB2 ALA A 11 10.872 -8.843 -14.327 1.00 42.21 H new ATOM 0 HB3 ALA A 11 9.476 -8.422 -13.306 1.00 42.21 H new ATOM 163 N LEU A 12 9.843 -10.180 -10.173 1.00 60.15 N ATOM 164 CA LEU A 12 9.484 -10.028 -8.735 1.00 74.42 C ATOM 165 C LEU A 12 8.834 -8.652 -8.422 1.00 34.43 C ATOM 166 O LEU A 12 9.331 -7.885 -7.599 1.00 51.12 O ATOM 167 CB LEU A 12 10.727 -10.293 -7.833 1.00 44.55 C ATOM 168 CG LEU A 12 11.481 -11.640 -8.073 1.00 54.23 C ATOM 169 CD1 LEU A 12 12.708 -11.766 -7.145 1.00 12.12 C ATOM 170 CD2 LEU A 12 10.536 -12.849 -7.923 1.00 73.15 C ATOM 0 H LEU A 12 9.461 -11.029 -10.590 1.00 60.15 H new ATOM 0 HA LEU A 12 8.726 -10.778 -8.509 1.00 74.42 H new ATOM 0 HB2 LEU A 12 11.434 -9.475 -7.975 1.00 44.55 H new ATOM 0 HB3 LEU A 12 10.407 -10.261 -6.791 1.00 44.55 H new ATOM 0 HG LEU A 12 11.844 -11.636 -9.101 1.00 54.23 H new ATOM 0 HD11 LEU A 12 13.212 -12.713 -7.335 1.00 12.12 H new ATOM 0 HD12 LEU A 12 13.396 -10.943 -7.338 1.00 12.12 H new ATOM 0 HD13 LEU A 12 12.383 -11.730 -6.105 1.00 12.12 H new ATOM 0 HD21 LEU A 12 11.093 -13.770 -8.096 1.00 73.15 H new ATOM 0 HD22 LEU A 12 10.118 -12.862 -6.916 1.00 73.15 H new ATOM 0 HD23 LEU A 12 9.728 -12.771 -8.650 1.00 73.15 H new ATOM 182 N SER A 13 7.734 -8.342 -9.119 1.00 22.24 N ATOM 183 CA SER A 13 7.020 -7.053 -8.970 1.00 72.23 C ATOM 184 C SER A 13 5.488 -7.238 -9.024 1.00 13.33 C ATOM 185 O SER A 13 4.987 -8.259 -9.505 1.00 24.02 O ATOM 186 CB SER A 13 7.482 -6.060 -10.062 1.00 42.45 C ATOM 187 OG SER A 13 6.902 -4.778 -9.877 1.00 33.14 O ATOM 0 H SER A 13 7.309 -8.970 -9.801 1.00 22.24 H new ATOM 0 HA SER A 13 7.266 -6.647 -7.989 1.00 72.23 H new ATOM 0 HB2 SER A 13 8.569 -5.975 -10.042 1.00 42.45 H new ATOM 0 HB3 SER A 13 7.210 -6.445 -11.045 1.00 42.45 H new ATOM 0 HG SER A 13 7.215 -4.173 -10.582 1.00 33.14 H new ATOM 193 N PHE A 14 4.757 -6.235 -8.503 1.00 55.22 N ATOM 194 CA PHE A 14 3.279 -6.220 -8.475 1.00 11.34 C ATOM 195 C PHE A 14 2.770 -4.756 -8.572 1.00 15.42 C ATOM 196 O PHE A 14 2.849 -4.002 -7.603 1.00 52.15 O ATOM 197 CB PHE A 14 2.809 -6.914 -7.166 1.00 1.20 C ATOM 198 CG PHE A 14 1.300 -7.077 -6.984 1.00 4.41 C ATOM 199 CD1 PHE A 14 0.507 -7.605 -8.002 1.00 12.11 C ATOM 200 CD2 PHE A 14 0.684 -6.736 -5.779 1.00 1.22 C ATOM 201 CE1 PHE A 14 -0.848 -7.781 -7.826 1.00 1.13 C ATOM 202 CE2 PHE A 14 -0.670 -6.911 -5.607 1.00 12.02 C ATOM 203 CZ PHE A 14 -1.437 -7.434 -6.630 1.00 63.10 C ATOM 0 H PHE A 14 5.177 -5.405 -8.086 1.00 55.22 H new ATOM 0 HA PHE A 14 2.866 -6.763 -9.325 1.00 11.34 H new ATOM 0 HB2 PHE A 14 3.267 -7.902 -7.121 1.00 1.20 H new ATOM 0 HB3 PHE A 14 3.195 -6.345 -6.320 1.00 1.20 H new ATOM 0 HD1 PHE A 14 0.962 -7.880 -8.942 1.00 12.11 H new ATOM 0 HD2 PHE A 14 1.277 -6.330 -4.972 1.00 1.22 H new ATOM 0 HE1 PHE A 14 -1.448 -8.191 -8.625 1.00 1.13 H new ATOM 0 HE2 PHE A 14 -1.134 -6.639 -4.670 1.00 12.02 H new ATOM 0 HZ PHE A 14 -2.499 -7.571 -6.492 1.00 63.10 H new ATOM 213 N SER A 15 2.245 -4.370 -9.751 1.00 52.12 N ATOM 214 CA SER A 15 1.821 -2.977 -10.044 1.00 63.12 C ATOM 215 C SER A 15 0.280 -2.854 -10.146 1.00 22.01 C ATOM 216 O SER A 15 -0.330 -3.355 -11.092 1.00 33.03 O ATOM 217 CB SER A 15 2.489 -2.475 -11.345 1.00 74.04 C ATOM 218 OG SER A 15 2.116 -1.136 -11.633 1.00 71.14 O ATOM 0 H SER A 15 2.101 -5.012 -10.531 1.00 52.12 H new ATOM 0 HA SER A 15 2.146 -2.352 -9.212 1.00 63.12 H new ATOM 0 HB2 SER A 15 3.573 -2.540 -11.248 1.00 74.04 H new ATOM 0 HB3 SER A 15 2.204 -3.121 -12.175 1.00 74.04 H new ATOM 0 HG SER A 15 2.554 -0.845 -12.460 1.00 71.14 H new ATOM 224 N ILE A 16 -0.338 -2.173 -9.164 1.00 54.11 N ATOM 225 CA ILE A 16 -1.799 -1.916 -9.143 1.00 4.34 C ATOM 226 C ILE A 16 -2.082 -0.459 -9.555 1.00 34.04 C ATOM 227 O ILE A 16 -1.596 0.482 -8.920 1.00 22.12 O ATOM 228 CB ILE A 16 -2.405 -2.168 -7.716 1.00 45.35 C ATOM 229 CG1 ILE A 16 -2.133 -3.632 -7.254 1.00 54.43 C ATOM 230 CG2 ILE A 16 -3.929 -1.840 -7.679 1.00 60.44 C ATOM 231 CD1 ILE A 16 -2.517 -3.910 -5.811 1.00 61.51 C ATOM 0 H ILE A 16 0.156 -1.784 -8.361 1.00 54.11 H new ATOM 0 HA ILE A 16 -2.266 -2.604 -9.848 1.00 4.34 H new ATOM 0 HB ILE A 16 -1.910 -1.493 -7.017 1.00 45.35 H new ATOM 0 HG12 ILE A 16 -2.683 -4.314 -7.903 1.00 54.43 H new ATOM 0 HG13 ILE A 16 -1.073 -3.852 -7.385 1.00 54.43 H new ATOM 0 HG21 ILE A 16 -4.317 -2.025 -6.677 1.00 60.44 H new ATOM 0 HG22 ILE A 16 -4.082 -0.793 -7.940 1.00 60.44 H new ATOM 0 HG23 ILE A 16 -4.455 -2.472 -8.394 1.00 60.44 H new ATOM 0 HD11 ILE A 16 -2.296 -4.950 -5.570 1.00 61.51 H new ATOM 0 HD12 ILE A 16 -1.948 -3.255 -5.151 1.00 61.51 H new ATOM 0 HD13 ILE A 16 -3.583 -3.725 -5.676 1.00 61.51 H new ATOM 243 N VAL A 17 -2.887 -0.289 -10.605 1.00 50.34 N ATOM 244 CA VAL A 17 -3.264 1.030 -11.140 1.00 63.04 C ATOM 245 C VAL A 17 -4.758 1.318 -10.838 1.00 34.53 C ATOM 246 O VAL A 17 -5.607 0.435 -10.979 1.00 52.34 O ATOM 247 CB VAL A 17 -3.006 1.105 -12.689 1.00 32.24 C ATOM 248 CG1 VAL A 17 -3.150 2.556 -13.209 1.00 34.34 C ATOM 249 CG2 VAL A 17 -1.625 0.508 -13.067 1.00 74.42 C ATOM 0 H VAL A 17 -3.302 -1.068 -11.116 1.00 50.34 H new ATOM 0 HA VAL A 17 -2.646 1.784 -10.653 1.00 63.04 H new ATOM 0 HB VAL A 17 -3.768 0.498 -13.177 1.00 32.24 H new ATOM 0 HG11 VAL A 17 -2.966 2.577 -14.283 1.00 34.34 H new ATOM 0 HG12 VAL A 17 -4.158 2.917 -13.006 1.00 34.34 H new ATOM 0 HG13 VAL A 17 -2.427 3.197 -12.704 1.00 34.34 H new ATOM 0 HG21 VAL A 17 -1.482 0.577 -14.145 1.00 74.42 H new ATOM 0 HG22 VAL A 17 -0.837 1.064 -12.560 1.00 74.42 H new ATOM 0 HG23 VAL A 17 -1.585 -0.538 -12.762 1.00 74.42 H new ATOM 259 N ALA A 18 -5.058 2.560 -10.416 1.00 11.31 N ATOM 260 CA ALA A 18 -6.428 3.021 -10.094 1.00 12.11 C ATOM 261 C ALA A 18 -6.598 4.519 -10.452 1.00 71.14 C ATOM 262 O ALA A 18 -5.642 5.287 -10.358 1.00 42.11 O ATOM 263 CB ALA A 18 -6.718 2.773 -8.606 1.00 5.12 C ATOM 0 H ALA A 18 -4.350 3.283 -10.286 1.00 11.31 H new ATOM 0 HA ALA A 18 -7.145 2.456 -10.689 1.00 12.11 H new ATOM 0 HB1 ALA A 18 -7.727 3.113 -8.370 1.00 5.12 H new ATOM 0 HB2 ALA A 18 -6.635 1.708 -8.392 1.00 5.12 H new ATOM 0 HB3 ALA A 18 -5.999 3.323 -7.999 1.00 5.12 H new ATOM 269 N GLU A 19 -7.813 4.928 -10.873 1.00 25.22 N ATOM 270 CA GLU A 19 -8.127 6.349 -11.202 1.00 33.34 C ATOM 271 C GLU A 19 -9.106 6.938 -10.175 1.00 74.13 C ATOM 272 O GLU A 19 -10.035 6.260 -9.746 1.00 21.34 O ATOM 273 CB GLU A 19 -8.725 6.475 -12.627 1.00 31.35 C ATOM 274 CG GLU A 19 -7.816 5.951 -13.752 1.00 3.12 C ATOM 275 CD GLU A 19 -8.258 6.409 -15.148 1.00 2.34 C ATOM 276 OE1 GLU A 19 -9.171 5.797 -15.729 1.00 31.52 O ATOM 277 OE2 GLU A 19 -7.702 7.407 -15.661 1.00 0.53 O ATOM 0 H GLU A 19 -8.603 4.295 -10.996 1.00 25.22 H new ATOM 0 HA GLU A 19 -7.193 6.910 -11.167 1.00 33.34 H new ATOM 0 HB2 GLU A 19 -9.670 5.933 -12.659 1.00 31.35 H new ATOM 0 HB3 GLU A 19 -8.952 7.523 -12.820 1.00 31.35 H new ATOM 0 HG2 GLU A 19 -6.795 6.288 -13.572 1.00 3.12 H new ATOM 0 HG3 GLU A 19 -7.802 4.862 -13.721 1.00 3.12 H new ATOM 284 N PHE A 20 -8.893 8.203 -9.775 1.00 31.45 N ATOM 285 CA PHE A 20 -9.697 8.861 -8.720 1.00 51.12 C ATOM 286 C PHE A 20 -10.125 10.276 -9.144 1.00 61.12 C ATOM 287 O PHE A 20 -9.284 11.085 -9.554 1.00 5.50 O ATOM 288 CB PHE A 20 -8.892 8.906 -7.394 1.00 53.33 C ATOM 289 CG PHE A 20 -8.478 7.523 -6.889 1.00 54.13 C ATOM 290 CD1 PHE A 20 -9.446 6.590 -6.508 1.00 12.13 C ATOM 291 CD2 PHE A 20 -7.137 7.143 -6.826 1.00 62.32 C ATOM 292 CE1 PHE A 20 -9.086 5.331 -6.084 1.00 40.22 C ATOM 293 CE2 PHE A 20 -6.781 5.884 -6.393 1.00 61.50 C ATOM 294 CZ PHE A 20 -7.754 4.978 -6.026 1.00 72.24 C ATOM 0 H PHE A 20 -8.164 8.799 -10.168 1.00 31.45 H new ATOM 0 HA PHE A 20 -10.604 8.277 -8.565 1.00 51.12 H new ATOM 0 HB2 PHE A 20 -7.999 9.514 -7.540 1.00 53.33 H new ATOM 0 HB3 PHE A 20 -9.492 9.399 -6.630 1.00 53.33 H new ATOM 0 HD1 PHE A 20 -10.491 6.860 -6.547 1.00 12.13 H new ATOM 0 HD2 PHE A 20 -6.369 7.843 -7.120 1.00 62.32 H new ATOM 0 HE1 PHE A 20 -9.846 4.620 -5.797 1.00 40.22 H new ATOM 0 HE2 PHE A 20 -5.739 5.606 -6.341 1.00 61.50 H new ATOM 0 HZ PHE A 20 -7.472 3.990 -5.693 1.00 72.24 H new ATOM 304 N ASP A 21 -11.438 10.571 -9.043 1.00 5.31 N ATOM 305 CA ASP A 21 -11.982 11.907 -9.348 1.00 51.51 C ATOM 306 C ASP A 21 -11.730 12.863 -8.156 1.00 24.45 C ATOM 307 O ASP A 21 -12.594 13.056 -7.291 1.00 42.40 O ATOM 308 CB ASP A 21 -13.491 11.803 -9.682 1.00 2.10 C ATOM 309 CG ASP A 21 -13.772 10.791 -10.801 1.00 14.32 C ATOM 310 OD1 ASP A 21 -13.381 11.053 -11.957 1.00 61.33 O ATOM 311 OD2 ASP A 21 -14.354 9.721 -10.532 1.00 63.45 O ATOM 0 H ASP A 21 -12.144 9.895 -8.750 1.00 5.31 H new ATOM 0 HA ASP A 21 -11.474 12.316 -10.222 1.00 51.51 H new ATOM 0 HB2 ASP A 21 -14.040 11.512 -8.786 1.00 2.10 H new ATOM 0 HB3 ASP A 21 -13.863 12.783 -9.980 1.00 2.10 H new ATOM 316 N ALA A 22 -10.513 13.423 -8.138 1.00 4.11 N ATOM 317 CA ALA A 22 -9.992 14.313 -7.070 1.00 12.11 C ATOM 318 C ALA A 22 -8.587 14.804 -7.467 1.00 52.54 C ATOM 319 O ALA A 22 -7.951 14.204 -8.341 1.00 74.14 O ATOM 320 CB ALA A 22 -9.933 13.586 -5.705 1.00 30.42 C ATOM 0 H ALA A 22 -9.836 13.270 -8.886 1.00 4.11 H new ATOM 0 HA ALA A 22 -10.669 15.161 -6.963 1.00 12.11 H new ATOM 0 HB1 ALA A 22 -9.547 14.267 -4.946 1.00 30.42 H new ATOM 0 HB2 ALA A 22 -10.934 13.259 -5.423 1.00 30.42 H new ATOM 0 HB3 ALA A 22 -9.276 12.719 -5.782 1.00 30.42 H new ATOM 326 N ASP A 23 -8.082 15.870 -6.816 1.00 53.53 N ATOM 327 CA ASP A 23 -6.741 16.416 -7.147 1.00 34.13 C ATOM 328 C ASP A 23 -5.633 15.588 -6.467 1.00 45.21 C ATOM 329 O ASP A 23 -5.895 14.794 -5.550 1.00 71.21 O ATOM 330 CB ASP A 23 -6.607 17.912 -6.766 1.00 25.32 C ATOM 331 CG ASP A 23 -6.777 18.166 -5.261 1.00 61.42 C ATOM 332 OD1 ASP A 23 -7.928 18.318 -4.808 1.00 54.31 O ATOM 333 OD2 ASP A 23 -5.760 18.204 -4.526 1.00 11.22 O ATOM 0 H ASP A 23 -8.569 16.367 -6.070 1.00 53.53 H new ATOM 0 HA ASP A 23 -6.625 16.344 -8.228 1.00 34.13 H new ATOM 0 HB2 ASP A 23 -5.629 18.275 -7.082 1.00 25.32 H new ATOM 0 HB3 ASP A 23 -7.353 18.489 -7.313 1.00 25.32 H new ATOM 338 N VAL A 24 -4.395 15.833 -6.905 1.00 31.22 N ATOM 339 CA VAL A 24 -3.209 15.060 -6.504 1.00 15.41 C ATOM 340 C VAL A 24 -2.944 15.129 -4.984 1.00 31.32 C ATOM 341 O VAL A 24 -2.622 14.118 -4.379 1.00 71.53 O ATOM 342 CB VAL A 24 -1.964 15.552 -7.319 1.00 11.21 C ATOM 343 CG1 VAL A 24 -0.685 14.763 -6.971 1.00 73.04 C ATOM 344 CG2 VAL A 24 -2.241 15.456 -8.827 1.00 72.40 C ATOM 0 H VAL A 24 -4.182 16.586 -7.559 1.00 31.22 H new ATOM 0 HA VAL A 24 -3.399 14.011 -6.731 1.00 15.41 H new ATOM 0 HB VAL A 24 -1.793 16.592 -7.042 1.00 11.21 H new ATOM 0 HG11 VAL A 24 0.149 15.142 -7.562 1.00 73.04 H new ATOM 0 HG12 VAL A 24 -0.461 14.882 -5.911 1.00 73.04 H new ATOM 0 HG13 VAL A 24 -0.837 13.707 -7.194 1.00 73.04 H new ATOM 0 HG21 VAL A 24 -1.367 15.801 -9.380 1.00 72.40 H new ATOM 0 HG22 VAL A 24 -2.453 14.420 -9.093 1.00 72.40 H new ATOM 0 HG23 VAL A 24 -3.099 16.078 -9.080 1.00 72.40 H new ATOM 354 N LYS A 25 -3.124 16.314 -4.378 1.00 50.24 N ATOM 355 CA LYS A 25 -2.959 16.502 -2.912 1.00 43.44 C ATOM 356 C LYS A 25 -4.094 15.831 -2.091 1.00 15.03 C ATOM 357 O LYS A 25 -3.854 15.375 -0.969 1.00 21.11 O ATOM 358 CB LYS A 25 -2.842 18.015 -2.547 1.00 10.34 C ATOM 359 CG LYS A 25 -1.443 18.653 -2.818 1.00 1.02 C ATOM 360 CD LYS A 25 -0.557 18.816 -1.540 1.00 52.31 C ATOM 361 CE LYS A 25 -0.306 17.503 -0.766 1.00 1.43 C ATOM 362 NZ LYS A 25 0.605 17.691 0.395 1.00 53.22 N ATOM 0 H LYS A 25 -3.385 17.165 -4.876 1.00 50.24 H new ATOM 0 HA LYS A 25 -2.028 16.003 -2.641 1.00 43.44 H new ATOM 0 HB2 LYS A 25 -3.592 18.569 -3.111 1.00 10.34 H new ATOM 0 HB3 LYS A 25 -3.082 18.138 -1.491 1.00 10.34 H new ATOM 0 HG2 LYS A 25 -0.909 18.037 -3.541 1.00 1.02 H new ATOM 0 HG3 LYS A 25 -1.585 19.632 -3.276 1.00 1.02 H new ATOM 0 HD2 LYS A 25 0.404 19.242 -1.830 1.00 52.31 H new ATOM 0 HD3 LYS A 25 -1.034 19.532 -0.871 1.00 52.31 H new ATOM 0 HE2 LYS A 25 -1.258 17.104 -0.416 1.00 1.43 H new ATOM 0 HE3 LYS A 25 0.121 16.762 -1.442 1.00 1.43 H new ATOM 0 HZ1 LYS A 25 0.377 16.994 1.132 1.00 53.22 H new ATOM 0 HZ2 LYS A 25 1.590 17.561 0.088 1.00 53.22 H new ATOM 0 HZ3 LYS A 25 0.486 18.651 0.778 1.00 53.22 H new ATOM 376 N ARG A 26 -5.314 15.777 -2.660 1.00 72.12 N ATOM 377 CA ARG A 26 -6.490 15.142 -2.003 1.00 23.32 C ATOM 378 C ARG A 26 -6.277 13.602 -1.924 1.00 34.22 C ATOM 379 O ARG A 26 -6.564 12.971 -0.901 1.00 33.34 O ATOM 380 CB ARG A 26 -7.802 15.511 -2.782 1.00 54.42 C ATOM 381 CG ARG A 26 -9.087 15.708 -1.922 1.00 51.23 C ATOM 382 CD ARG A 26 -9.542 14.449 -1.166 1.00 2.32 C ATOM 383 NE ARG A 26 -10.816 14.647 -0.450 1.00 4.20 N ATOM 384 CZ ARG A 26 -11.276 13.879 0.518 1.00 44.13 C ATOM 385 NH1 ARG A 26 -10.571 12.897 1.002 1.00 12.41 N ATOM 386 NH2 ARG A 26 -12.449 14.112 1.010 1.00 21.02 N ATOM 0 H ARG A 26 -5.519 16.167 -3.580 1.00 72.12 H new ATOM 0 HA ARG A 26 -6.594 15.518 -0.985 1.00 23.32 H new ATOM 0 HB2 ARG A 26 -7.621 16.429 -3.341 1.00 54.42 H new ATOM 0 HB3 ARG A 26 -7.997 14.726 -3.513 1.00 54.42 H new ATOM 0 HG2 ARG A 26 -8.909 16.506 -1.201 1.00 51.23 H new ATOM 0 HG3 ARG A 26 -9.897 16.040 -2.571 1.00 51.23 H new ATOM 0 HD2 ARG A 26 -9.650 13.625 -1.872 1.00 2.32 H new ATOM 0 HD3 ARG A 26 -8.770 14.159 -0.453 1.00 2.32 H new ATOM 0 HE ARG A 26 -11.389 15.444 -0.727 1.00 4.20 H new ATOM 0 HH11 ARG A 26 -9.640 12.707 0.632 1.00 12.41 H new ATOM 0 HH12 ARG A 26 -10.950 12.318 1.751 1.00 12.41 H new ATOM 0 HH21 ARG A 26 -13.009 14.884 0.649 1.00 21.02 H new ATOM 0 HH22 ARG A 26 -12.814 13.524 1.759 1.00 21.02 H new ATOM 400 N VAL A 27 -5.747 13.027 -3.023 1.00 33.40 N ATOM 401 CA VAL A 27 -5.399 11.587 -3.113 1.00 2.03 C ATOM 402 C VAL A 27 -4.084 11.285 -2.334 1.00 2.05 C ATOM 403 O VAL A 27 -3.906 10.204 -1.812 1.00 24.32 O ATOM 404 CB VAL A 27 -5.268 11.113 -4.615 1.00 75.53 C ATOM 405 CG1 VAL A 27 -5.057 9.573 -4.714 1.00 1.01 C ATOM 406 CG2 VAL A 27 -6.497 11.557 -5.452 1.00 3.31 C ATOM 0 H VAL A 27 -5.546 13.547 -3.877 1.00 33.40 H new ATOM 0 HA VAL A 27 -6.214 11.026 -2.655 1.00 2.03 H new ATOM 0 HB VAL A 27 -4.383 11.595 -5.031 1.00 75.53 H new ATOM 0 HG11 VAL A 27 -4.971 9.284 -5.762 1.00 1.01 H new ATOM 0 HG12 VAL A 27 -4.145 9.296 -4.185 1.00 1.01 H new ATOM 0 HG13 VAL A 27 -5.907 9.060 -4.264 1.00 1.01 H new ATOM 0 HG21 VAL A 27 -6.379 11.217 -6.481 1.00 3.31 H new ATOM 0 HG22 VAL A 27 -7.402 11.122 -5.028 1.00 3.31 H new ATOM 0 HG23 VAL A 27 -6.575 12.644 -5.436 1.00 3.31 H new ATOM 416 N TRP A 28 -3.161 12.258 -2.285 1.00 4.11 N ATOM 417 CA TRP A 28 -1.881 12.141 -1.526 1.00 34.44 C ATOM 418 C TRP A 28 -2.110 12.112 -0.003 1.00 15.20 C ATOM 419 O TRP A 28 -1.345 11.479 0.727 1.00 31.43 O ATOM 420 CB TRP A 28 -0.949 13.313 -1.912 1.00 64.13 C ATOM 421 CG TRP A 28 0.423 13.321 -1.269 1.00 13.10 C ATOM 422 CD1 TRP A 28 0.861 14.141 -0.266 1.00 1.21 C ATOM 423 CD2 TRP A 28 1.540 12.485 -1.611 1.00 64.45 C ATOM 424 NE1 TRP A 28 2.174 13.883 0.016 1.00 13.11 N ATOM 425 CE2 TRP A 28 2.612 12.870 -0.791 1.00 52.23 C ATOM 426 CE3 TRP A 28 1.737 11.451 -2.533 1.00 11.13 C ATOM 427 CZ2 TRP A 28 3.859 12.269 -0.874 1.00 43.33 C ATOM 428 CZ3 TRP A 28 2.975 10.856 -2.612 1.00 4.54 C ATOM 429 CH2 TRP A 28 4.023 11.270 -1.785 1.00 72.54 C ATOM 0 H TRP A 28 -3.269 13.151 -2.766 1.00 4.11 H new ATOM 0 HA TRP A 28 -1.413 11.193 -1.793 1.00 34.44 H new ATOM 0 HB2 TRP A 28 -0.819 13.305 -2.994 1.00 64.13 H new ATOM 0 HB3 TRP A 28 -1.451 14.247 -1.658 1.00 64.13 H new ATOM 0 HD1 TRP A 28 0.257 14.885 0.232 1.00 1.21 H new ATOM 0 HE1 TRP A 28 2.736 14.368 0.716 1.00 13.11 H new ATOM 0 HE3 TRP A 28 0.930 11.125 -3.172 1.00 11.13 H new ATOM 0 HZ2 TRP A 28 4.673 12.583 -0.237 1.00 43.33 H new ATOM 0 HZ3 TRP A 28 3.139 10.059 -3.322 1.00 4.54 H new ATOM 0 HH2 TRP A 28 4.985 10.787 -1.870 1.00 72.54 H new ATOM 440 N ALA A 29 -3.170 12.800 0.454 1.00 42.14 N ATOM 441 CA ALA A 29 -3.528 12.897 1.889 1.00 41.25 C ATOM 442 C ALA A 29 -3.840 11.517 2.525 1.00 54.31 C ATOM 443 O ALA A 29 -3.673 11.341 3.730 1.00 33.01 O ATOM 444 CB ALA A 29 -4.717 13.844 2.060 1.00 64.45 C ATOM 0 H ALA A 29 -3.808 13.308 -0.159 1.00 42.14 H new ATOM 0 HA ALA A 29 -2.659 13.293 2.415 1.00 41.25 H new ATOM 0 HB1 ALA A 29 -4.978 13.913 3.116 1.00 64.45 H new ATOM 0 HB2 ALA A 29 -4.451 14.833 1.686 1.00 64.45 H new ATOM 0 HB3 ALA A 29 -5.570 13.462 1.500 1.00 64.45 H new ATOM 450 N ILE A 30 -4.279 10.543 1.699 1.00 72.31 N ATOM 451 CA ILE A 30 -4.574 9.162 2.172 1.00 44.54 C ATOM 452 C ILE A 30 -3.269 8.389 2.502 1.00 23.43 C ATOM 453 O ILE A 30 -3.306 7.379 3.183 1.00 75.25 O ATOM 454 CB ILE A 30 -5.422 8.344 1.128 1.00 51.54 C ATOM 455 CG1 ILE A 30 -4.522 7.835 -0.043 1.00 0.24 C ATOM 456 CG2 ILE A 30 -6.617 9.181 0.616 1.00 30.21 C ATOM 457 CD1 ILE A 30 -5.231 7.145 -1.179 1.00 12.13 C ATOM 0 H ILE A 30 -4.439 10.682 0.701 1.00 72.31 H new ATOM 0 HA ILE A 30 -5.166 9.269 3.081 1.00 44.54 H new ATOM 0 HB ILE A 30 -5.831 7.465 1.627 1.00 51.54 H new ATOM 0 HG12 ILE A 30 -3.974 8.686 -0.448 1.00 0.24 H new ATOM 0 HG13 ILE A 30 -3.783 7.147 0.368 1.00 0.24 H new ATOM 0 HG21 ILE A 30 -7.189 8.596 -0.104 1.00 30.21 H new ATOM 0 HG22 ILE A 30 -7.258 9.451 1.455 1.00 30.21 H new ATOM 0 HG23 ILE A 30 -6.247 10.087 0.136 1.00 30.21 H new ATOM 0 HD11 ILE A 30 -4.503 6.838 -1.929 1.00 12.13 H new ATOM 0 HD12 ILE A 30 -5.755 6.267 -0.801 1.00 12.13 H new ATOM 0 HD13 ILE A 30 -5.949 7.830 -1.630 1.00 12.13 H new ATOM 469 N TRP A 31 -2.140 8.846 1.940 1.00 61.12 N ATOM 470 CA TRP A 31 -0.797 8.289 2.215 1.00 4.30 C ATOM 471 C TRP A 31 -0.067 9.119 3.278 1.00 51.31 C ATOM 472 O TRP A 31 0.654 8.576 4.115 1.00 44.23 O ATOM 473 CB TRP A 31 0.036 8.271 0.904 1.00 3.24 C ATOM 474 CG TRP A 31 -0.532 7.355 -0.153 1.00 4.40 C ATOM 475 CD1 TRP A 31 -1.211 7.702 -1.293 1.00 24.10 C ATOM 476 CD2 TRP A 31 -0.471 5.923 -0.142 1.00 25.44 C ATOM 477 NE1 TRP A 31 -1.581 6.571 -1.976 1.00 73.21 N ATOM 478 CE2 TRP A 31 -1.130 5.469 -1.291 1.00 42.23 C ATOM 479 CE3 TRP A 31 0.086 4.983 0.736 1.00 0.34 C ATOM 480 CZ2 TRP A 31 -1.249 4.118 -1.589 1.00 4.52 C ATOM 481 CZ3 TRP A 31 -0.033 3.643 0.440 1.00 1.43 C ATOM 482 CH2 TRP A 31 -0.693 3.218 -0.715 1.00 51.50 C ATOM 0 H TRP A 31 -2.128 9.619 1.275 1.00 61.12 H new ATOM 0 HA TRP A 31 -0.914 7.273 2.592 1.00 4.30 H new ATOM 0 HB2 TRP A 31 0.093 9.284 0.504 1.00 3.24 H new ATOM 0 HB3 TRP A 31 1.055 7.961 1.134 1.00 3.24 H new ATOM 0 HD1 TRP A 31 -1.423 8.714 -1.606 1.00 24.10 H new ATOM 0 HE1 TRP A 31 -2.106 6.552 -2.850 1.00 73.21 H new ATOM 0 HE3 TRP A 31 0.600 5.304 1.630 1.00 0.34 H new ATOM 0 HZ2 TRP A 31 -1.762 3.786 -2.479 1.00 4.52 H new ATOM 0 HZ3 TRP A 31 0.390 2.910 1.111 1.00 1.43 H new ATOM 0 HH2 TRP A 31 -0.767 2.161 -0.924 1.00 51.50 H new ATOM 493 N GLU A 32 -0.274 10.440 3.218 1.00 33.11 N ATOM 494 CA GLU A 32 0.462 11.429 4.019 1.00 73.14 C ATOM 495 C GLU A 32 -0.056 11.493 5.473 1.00 22.34 C ATOM 496 O GLU A 32 0.730 11.485 6.432 1.00 74.14 O ATOM 497 CB GLU A 32 0.361 12.806 3.309 1.00 14.43 C ATOM 498 CG GLU A 32 1.119 13.958 3.994 1.00 53.11 C ATOM 499 CD GLU A 32 1.260 15.195 3.089 1.00 43.33 C ATOM 500 OE1 GLU A 32 0.238 15.850 2.787 1.00 2.50 O ATOM 501 OE2 GLU A 32 2.386 15.508 2.650 1.00 23.44 O ATOM 0 H GLU A 32 -0.969 10.860 2.601 1.00 33.11 H new ATOM 0 HA GLU A 32 1.508 11.132 4.090 1.00 73.14 H new ATOM 0 HB2 GLU A 32 0.737 12.700 2.292 1.00 14.43 H new ATOM 0 HB3 GLU A 32 -0.691 13.080 3.233 1.00 14.43 H new ATOM 0 HG2 GLU A 32 0.596 14.239 4.908 1.00 53.11 H new ATOM 0 HG3 GLU A 32 2.110 13.612 4.287 1.00 53.11 H new ATOM 508 N ASP A 33 -1.389 11.553 5.619 1.00 72.11 N ATOM 509 CA ASP A 33 -2.059 11.585 6.933 1.00 13.04 C ATOM 510 C ASP A 33 -2.241 10.131 7.474 1.00 61.12 C ATOM 511 O ASP A 33 -2.894 9.308 6.816 1.00 32.23 O ATOM 512 CB ASP A 33 -3.420 12.320 6.797 1.00 64.02 C ATOM 513 CG ASP A 33 -4.113 12.578 8.143 1.00 75.55 C ATOM 514 OD1 ASP A 33 -4.827 11.681 8.643 1.00 61.32 O ATOM 515 OD2 ASP A 33 -3.949 13.682 8.710 1.00 22.21 O ATOM 0 H ASP A 33 -2.035 11.581 4.830 1.00 72.11 H new ATOM 0 HA ASP A 33 -1.446 12.130 7.651 1.00 13.04 H new ATOM 0 HB2 ASP A 33 -3.261 13.272 6.291 1.00 64.02 H new ATOM 0 HB3 ASP A 33 -4.082 11.729 6.164 1.00 64.02 H new ATOM 520 N PRO A 34 -1.657 9.798 8.684 1.00 41.34 N ATOM 521 CA PRO A 34 -1.731 8.429 9.285 1.00 24.44 C ATOM 522 C PRO A 34 -3.173 7.898 9.490 1.00 61.41 C ATOM 523 O PRO A 34 -3.422 6.696 9.360 1.00 33.40 O ATOM 524 CB PRO A 34 -1.017 8.595 10.655 1.00 1.10 C ATOM 525 CG PRO A 34 -0.117 9.779 10.473 1.00 72.00 C ATOM 526 CD PRO A 34 -0.855 10.717 9.542 1.00 34.24 C ATOM 0 HA PRO A 34 -1.275 7.694 8.622 1.00 24.44 H new ATOM 0 HB2 PRO A 34 -1.735 8.763 11.458 1.00 1.10 H new ATOM 0 HB3 PRO A 34 -0.449 7.702 10.916 1.00 1.10 H new ATOM 0 HG2 PRO A 34 0.094 10.261 11.428 1.00 72.00 H new ATOM 0 HG3 PRO A 34 0.841 9.480 10.048 1.00 72.00 H new ATOM 0 HD2 PRO A 34 -1.492 11.410 10.092 1.00 34.24 H new ATOM 0 HD3 PRO A 34 -0.166 11.319 8.950 1.00 34.24 H new ATOM 534 N ARG A 35 -4.105 8.813 9.815 1.00 50.32 N ATOM 535 CA ARG A 35 -5.521 8.473 10.084 1.00 74.11 C ATOM 536 C ARG A 35 -6.293 8.205 8.771 1.00 14.31 C ATOM 537 O ARG A 35 -7.174 7.333 8.735 1.00 1.12 O ATOM 538 CB ARG A 35 -6.200 9.609 10.892 1.00 12.40 C ATOM 539 CG ARG A 35 -5.494 9.998 12.217 1.00 63.34 C ATOM 540 CD ARG A 35 -5.662 8.961 13.358 1.00 72.22 C ATOM 541 NE ARG A 35 -5.024 7.657 13.089 1.00 44.05 N ATOM 542 CZ ARG A 35 -3.749 7.365 13.287 1.00 31.31 C ATOM 543 NH1 ARG A 35 -2.889 8.269 13.646 1.00 1.33 N ATOM 544 NH2 ARG A 35 -3.333 6.164 13.095 1.00 11.13 N ATOM 0 H ARG A 35 -3.901 9.809 9.899 1.00 50.32 H new ATOM 0 HA ARG A 35 -5.543 7.558 10.675 1.00 74.11 H new ATOM 0 HB2 ARG A 35 -6.262 10.495 10.260 1.00 12.40 H new ATOM 0 HB3 ARG A 35 -7.223 9.308 11.120 1.00 12.40 H new ATOM 0 HG2 ARG A 35 -4.431 10.136 12.021 1.00 63.34 H new ATOM 0 HG3 ARG A 35 -5.884 10.958 12.554 1.00 63.34 H new ATOM 0 HD2 ARG A 35 -5.243 9.375 14.275 1.00 72.22 H new ATOM 0 HD3 ARG A 35 -6.726 8.803 13.536 1.00 72.22 H new ATOM 0 HE ARG A 35 -5.619 6.916 12.718 1.00 44.05 H new ATOM 0 HH11 ARG A 35 -3.190 9.234 13.783 1.00 1.33 H new ATOM 0 HH12 ARG A 35 -1.912 8.014 13.791 1.00 1.33 H new ATOM 0 HH21 ARG A 35 -3.985 5.441 12.791 1.00 11.13 H new ATOM 0 HH22 ARG A 35 -2.351 5.934 13.246 1.00 11.13 H new ATOM 558 N GLN A 36 -5.955 8.964 7.699 1.00 33.03 N ATOM 559 CA GLN A 36 -6.537 8.746 6.357 1.00 51.03 C ATOM 560 C GLN A 36 -6.018 7.442 5.717 1.00 4.23 C ATOM 561 O GLN A 36 -6.731 6.849 4.934 1.00 30.33 O ATOM 562 CB GLN A 36 -6.276 9.933 5.393 1.00 25.34 C ATOM 563 CG GLN A 36 -7.004 11.248 5.750 1.00 72.31 C ATOM 564 CD GLN A 36 -7.088 12.242 4.580 1.00 13.33 C ATOM 565 OE1 GLN A 36 -7.153 11.853 3.417 1.00 60.25 O ATOM 566 NE2 GLN A 36 -7.079 13.526 4.874 1.00 41.32 N ATOM 0 H GLN A 36 -5.283 9.730 7.741 1.00 33.03 H new ATOM 0 HA GLN A 36 -7.613 8.665 6.511 1.00 51.03 H new ATOM 0 HB2 GLN A 36 -5.204 10.127 5.365 1.00 25.34 H new ATOM 0 HB3 GLN A 36 -6.573 9.635 4.387 1.00 25.34 H new ATOM 0 HG2 GLN A 36 -8.013 11.014 6.090 1.00 72.31 H new ATOM 0 HG3 GLN A 36 -6.488 11.724 6.584 1.00 72.31 H new ATOM 0 HE21 GLN A 36 -7.024 13.826 5.847 1.00 41.32 H new ATOM 0 HE22 GLN A 36 -7.127 14.220 4.128 1.00 41.32 H new ATOM 575 N LEU A 37 -4.774 7.024 6.033 1.00 32.31 N ATOM 576 CA LEU A 37 -4.233 5.713 5.576 1.00 54.14 C ATOM 577 C LEU A 37 -4.924 4.560 6.325 1.00 55.14 C ATOM 578 O LEU A 37 -5.430 3.619 5.711 1.00 30.30 O ATOM 579 CB LEU A 37 -2.695 5.668 5.769 1.00 12.10 C ATOM 580 CG LEU A 37 -1.972 4.349 5.330 1.00 41.15 C ATOM 581 CD1 LEU A 37 -2.234 3.979 3.851 1.00 12.43 C ATOM 582 CD2 LEU A 37 -0.465 4.453 5.597 1.00 25.43 C ATOM 0 H LEU A 37 -4.123 7.568 6.600 1.00 32.31 H new ATOM 0 HA LEU A 37 -4.441 5.595 4.513 1.00 54.14 H new ATOM 0 HB2 LEU A 37 -2.257 6.498 5.214 1.00 12.10 H new ATOM 0 HB3 LEU A 37 -2.479 5.841 6.823 1.00 12.10 H new ATOM 0 HG LEU A 37 -2.394 3.544 5.932 1.00 41.15 H new ATOM 0 HD11 LEU A 37 -1.707 3.057 3.608 1.00 12.43 H new ATOM 0 HD12 LEU A 37 -3.303 3.837 3.695 1.00 12.43 H new ATOM 0 HD13 LEU A 37 -1.877 4.782 3.206 1.00 12.43 H new ATOM 0 HD21 LEU A 37 0.024 3.529 5.287 1.00 25.43 H new ATOM 0 HD22 LEU A 37 -0.052 5.289 5.033 1.00 25.43 H new ATOM 0 HD23 LEU A 37 -0.294 4.614 6.661 1.00 25.43 H new ATOM 594 N GLU A 38 -4.967 4.692 7.663 1.00 15.22 N ATOM 595 CA GLU A 38 -5.682 3.774 8.594 1.00 22.22 C ATOM 596 C GLU A 38 -7.161 3.542 8.175 1.00 51.04 C ATOM 597 O GLU A 38 -7.727 2.465 8.400 1.00 51.30 O ATOM 598 CB GLU A 38 -5.608 4.397 10.016 1.00 43.14 C ATOM 599 CG GLU A 38 -6.409 3.684 11.117 1.00 24.03 C ATOM 600 CD GLU A 38 -6.321 4.425 12.462 1.00 40.31 C ATOM 601 OE1 GLU A 38 -7.122 5.358 12.684 1.00 53.04 O ATOM 602 OE2 GLU A 38 -5.413 4.127 13.268 1.00 65.50 O ATOM 0 H GLU A 38 -4.497 5.456 8.148 1.00 15.22 H new ATOM 0 HA GLU A 38 -5.204 2.795 8.571 1.00 22.22 H new ATOM 0 HB2 GLU A 38 -4.562 4.429 10.321 1.00 43.14 H new ATOM 0 HB3 GLU A 38 -5.954 5.429 9.955 1.00 43.14 H new ATOM 0 HG2 GLU A 38 -7.453 3.606 10.813 1.00 24.03 H new ATOM 0 HG3 GLU A 38 -6.035 2.667 11.238 1.00 24.03 H new ATOM 609 N ARG A 39 -7.742 4.573 7.543 1.00 65.33 N ATOM 610 CA ARG A 39 -9.146 4.606 7.095 1.00 52.31 C ATOM 611 C ARG A 39 -9.509 3.448 6.125 1.00 11.44 C ATOM 612 O ARG A 39 -10.587 2.855 6.228 1.00 2.41 O ATOM 613 CB ARG A 39 -9.409 5.967 6.393 1.00 11.22 C ATOM 614 CG ARG A 39 -10.896 6.290 6.099 1.00 72.11 C ATOM 615 CD ARG A 39 -11.613 6.981 7.274 1.00 63.14 C ATOM 616 NE ARG A 39 -11.605 6.175 8.510 1.00 61.13 N ATOM 617 CZ ARG A 39 -12.661 5.777 9.182 1.00 54.42 C ATOM 618 NH1 ARG A 39 -13.863 6.057 8.783 1.00 40.50 N ATOM 619 NH2 ARG A 39 -12.499 5.099 10.268 1.00 71.25 N ATOM 0 H ARG A 39 -7.236 5.431 7.323 1.00 65.33 H new ATOM 0 HA ARG A 39 -9.774 4.482 7.977 1.00 52.31 H new ATOM 0 HB2 ARG A 39 -8.999 6.762 7.015 1.00 11.22 H new ATOM 0 HB3 ARG A 39 -8.859 5.983 5.452 1.00 11.22 H new ATOM 0 HG2 ARG A 39 -10.954 6.931 5.219 1.00 72.11 H new ATOM 0 HG3 ARG A 39 -11.420 5.366 5.855 1.00 72.11 H new ATOM 0 HD2 ARG A 39 -11.135 7.941 7.470 1.00 63.14 H new ATOM 0 HD3 ARG A 39 -12.644 7.190 6.990 1.00 63.14 H new ATOM 0 HE ARG A 39 -10.694 5.901 8.877 1.00 61.13 H new ATOM 0 HH11 ARG A 39 -14.004 6.598 7.930 1.00 40.50 H new ATOM 0 HH12 ARG A 39 -14.667 5.736 9.322 1.00 40.50 H new ATOM 0 HH21 ARG A 39 -11.559 4.878 10.596 1.00 71.25 H new ATOM 0 HH22 ARG A 39 -13.311 4.784 10.799 1.00 71.25 H new ATOM 633 N TRP A 40 -8.594 3.144 5.186 1.00 14.13 N ATOM 634 CA TRP A 40 -8.855 2.191 4.074 1.00 12.15 C ATOM 635 C TRP A 40 -7.875 1.005 4.041 1.00 3.14 C ATOM 636 O TRP A 40 -8.204 -0.028 3.459 1.00 12.53 O ATOM 637 CB TRP A 40 -8.818 2.938 2.711 1.00 61.13 C ATOM 638 CG TRP A 40 -7.538 3.708 2.440 1.00 42.24 C ATOM 639 CD1 TRP A 40 -7.233 4.950 2.886 1.00 65.23 C ATOM 640 CD2 TRP A 40 -6.418 3.299 1.650 1.00 52.01 C ATOM 641 NE1 TRP A 40 -5.991 5.325 2.453 1.00 12.23 N ATOM 642 CE2 TRP A 40 -5.478 4.334 1.678 1.00 3.35 C ATOM 643 CE3 TRP A 40 -6.126 2.158 0.931 1.00 24.23 C ATOM 644 CZ2 TRP A 40 -4.272 4.257 1.001 1.00 53.13 C ATOM 645 CZ3 TRP A 40 -4.934 2.074 0.258 1.00 40.20 C ATOM 646 CH2 TRP A 40 -4.019 3.118 0.299 1.00 25.02 C ATOM 0 H TRP A 40 -7.656 3.545 5.170 1.00 14.13 H new ATOM 0 HA TRP A 40 -9.847 1.775 4.253 1.00 12.15 H new ATOM 0 HB2 TRP A 40 -8.965 2.212 1.911 1.00 61.13 H new ATOM 0 HB3 TRP A 40 -9.658 3.632 2.670 1.00 61.13 H new ATOM 0 HD1 TRP A 40 -7.881 5.560 3.499 1.00 65.23 H new ATOM 0 HE1 TRP A 40 -5.526 6.205 2.676 1.00 12.23 H new ATOM 0 HE3 TRP A 40 -6.829 1.339 0.899 1.00 24.23 H new ATOM 0 HZ2 TRP A 40 -3.560 5.069 1.029 1.00 53.13 H new ATOM 0 HZ3 TRP A 40 -4.704 1.185 -0.311 1.00 40.20 H new ATOM 0 HH2 TRP A 40 -3.086 3.024 -0.238 1.00 25.02 H new ATOM 657 N TRP A 41 -6.691 1.156 4.673 1.00 63.13 N ATOM 658 CA TRP A 41 -5.551 0.202 4.531 1.00 75.41 C ATOM 659 C TRP A 41 -5.916 -1.253 4.925 1.00 21.25 C ATOM 660 O TRP A 41 -5.313 -2.213 4.430 1.00 64.04 O ATOM 661 CB TRP A 41 -4.325 0.698 5.346 1.00 3.12 C ATOM 662 CG TRP A 41 -3.030 0.000 4.999 1.00 22.35 C ATOM 663 CD1 TRP A 41 -2.229 -0.745 5.823 1.00 74.14 C ATOM 664 CD2 TRP A 41 -2.410 -0.043 3.701 1.00 12.12 C ATOM 665 NE1 TRP A 41 -1.149 -1.215 5.122 1.00 70.44 N ATOM 666 CE2 TRP A 41 -1.244 -0.803 3.822 1.00 43.24 C ATOM 667 CE3 TRP A 41 -2.729 0.495 2.453 1.00 61.21 C ATOM 668 CZ2 TRP A 41 -0.396 -1.036 2.750 1.00 71.43 C ATOM 669 CZ3 TRP A 41 -1.891 0.263 1.386 1.00 21.12 C ATOM 670 CH2 TRP A 41 -0.735 -0.498 1.539 1.00 43.11 C ATOM 0 H TRP A 41 -6.491 1.938 5.296 1.00 63.13 H new ATOM 0 HA TRP A 41 -5.297 0.178 3.471 1.00 75.41 H new ATOM 0 HB2 TRP A 41 -4.203 1.769 5.183 1.00 3.12 H new ATOM 0 HB3 TRP A 41 -4.527 0.558 6.408 1.00 3.12 H new ATOM 0 HD1 TRP A 41 -2.420 -0.934 6.869 1.00 74.14 H new ATOM 0 HE1 TRP A 41 -0.394 -1.782 5.509 1.00 70.44 H new ATOM 0 HE3 TRP A 41 -3.623 1.087 2.326 1.00 61.21 H new ATOM 0 HZ2 TRP A 41 0.503 -1.623 2.867 1.00 71.43 H new ATOM 0 HZ3 TRP A 41 -2.133 0.676 0.418 1.00 21.12 H new ATOM 0 HH2 TRP A 41 -0.094 -0.667 0.686 1.00 43.11 H new ATOM 681 N GLY A 42 -6.904 -1.398 5.819 1.00 30.23 N ATOM 682 CA GLY A 42 -7.468 -2.707 6.157 1.00 61.20 C ATOM 683 C GLY A 42 -8.780 -2.999 5.399 1.00 35.32 C ATOM 684 O GLY A 42 -9.623 -2.100 5.284 1.00 22.41 O ATOM 0 H GLY A 42 -7.329 -0.619 6.322 1.00 30.23 H new ATOM 0 HA2 GLY A 42 -6.739 -3.484 5.927 1.00 61.20 H new ATOM 0 HA3 GLY A 42 -7.654 -2.753 7.230 1.00 61.20 H new ATOM 688 N PRO A 43 -8.988 -4.257 4.871 1.00 50.43 N ATOM 689 CA PRO A 43 -10.262 -4.662 4.189 1.00 71.14 C ATOM 690 C PRO A 43 -11.508 -4.617 5.140 1.00 2.10 C ATOM 691 O PRO A 43 -11.336 -4.525 6.362 1.00 71.42 O ATOM 692 CB PRO A 43 -9.946 -6.111 3.692 1.00 71.02 C ATOM 693 CG PRO A 43 -8.848 -6.592 4.588 1.00 53.45 C ATOM 694 CD PRO A 43 -8.001 -5.371 4.884 1.00 21.31 C ATOM 0 HA PRO A 43 -10.540 -3.982 3.384 1.00 71.14 H new ATOM 0 HB2 PRO A 43 -10.824 -6.753 3.762 1.00 71.02 H new ATOM 0 HB3 PRO A 43 -9.633 -6.112 2.648 1.00 71.02 H new ATOM 0 HG2 PRO A 43 -9.250 -7.022 5.505 1.00 53.45 H new ATOM 0 HG3 PRO A 43 -8.259 -7.370 4.103 1.00 53.45 H new ATOM 0 HD2 PRO A 43 -7.500 -5.453 5.849 1.00 21.31 H new ATOM 0 HD3 PRO A 43 -7.224 -5.229 4.133 1.00 21.31 H new ATOM 702 N PRO A 44 -12.790 -4.694 4.600 1.00 41.51 N ATOM 703 CA PRO A 44 -14.037 -4.606 5.439 1.00 53.10 C ATOM 704 C PRO A 44 -14.123 -5.684 6.566 1.00 42.04 C ATOM 705 O PRO A 44 -14.849 -5.510 7.551 1.00 31.55 O ATOM 706 CB PRO A 44 -15.192 -4.782 4.397 1.00 24.23 C ATOM 707 CG PRO A 44 -14.539 -5.417 3.202 1.00 15.32 C ATOM 708 CD PRO A 44 -13.139 -4.844 3.155 1.00 41.11 C ATOM 0 HA PRO A 44 -14.076 -3.665 5.987 1.00 53.10 H new ATOM 0 HB2 PRO A 44 -15.989 -5.411 4.793 1.00 24.23 H new ATOM 0 HB3 PRO A 44 -15.641 -3.823 4.139 1.00 24.23 H new ATOM 0 HG2 PRO A 44 -14.516 -6.503 3.298 1.00 15.32 H new ATOM 0 HG3 PRO A 44 -15.087 -5.189 2.288 1.00 15.32 H new ATOM 0 HD2 PRO A 44 -12.447 -5.510 2.640 1.00 41.11 H new ATOM 0 HD3 PRO A 44 -13.111 -3.888 2.632 1.00 41.11 H new ATOM 716 N THR A 45 -13.375 -6.789 6.396 1.00 65.03 N ATOM 717 CA THR A 45 -13.284 -7.887 7.386 1.00 14.20 C ATOM 718 C THR A 45 -12.164 -7.641 8.437 1.00 31.42 C ATOM 719 O THR A 45 -12.293 -8.056 9.593 1.00 54.54 O ATOM 720 CB THR A 45 -13.030 -9.250 6.659 1.00 13.42 C ATOM 721 OG1 THR A 45 -11.835 -9.160 5.859 1.00 63.12 O ATOM 722 CG2 THR A 45 -14.214 -9.650 5.754 1.00 25.31 C ATOM 0 H THR A 45 -12.810 -6.950 5.562 1.00 65.03 H new ATOM 0 HA THR A 45 -14.236 -7.920 7.916 1.00 14.20 H new ATOM 0 HB THR A 45 -12.916 -10.015 7.428 1.00 13.42 H new ATOM 0 HG1 THR A 45 -11.679 -10.015 5.407 1.00 63.12 H new ATOM 0 HG21 THR A 45 -13.996 -10.601 5.269 1.00 25.31 H new ATOM 0 HG22 THR A 45 -15.116 -9.749 6.358 1.00 25.31 H new ATOM 0 HG23 THR A 45 -14.367 -8.883 4.995 1.00 25.31 H new ATOM 730 N TRP A 46 -11.072 -6.955 8.025 1.00 42.23 N ATOM 731 CA TRP A 46 -9.889 -6.671 8.893 1.00 43.41 C ATOM 732 C TRP A 46 -9.612 -5.138 9.010 1.00 31.02 C ATOM 733 O TRP A 46 -8.764 -4.616 8.283 1.00 75.14 O ATOM 734 CB TRP A 46 -8.621 -7.388 8.326 1.00 70.23 C ATOM 735 CG TRP A 46 -8.586 -8.888 8.500 1.00 33.20 C ATOM 736 CD1 TRP A 46 -9.329 -9.829 7.844 1.00 5.34 C ATOM 737 CD2 TRP A 46 -7.721 -9.615 9.379 1.00 65.13 C ATOM 738 NE1 TRP A 46 -9.012 -11.079 8.301 1.00 33.44 N ATOM 739 CE2 TRP A 46 -8.022 -10.974 9.236 1.00 2.12 C ATOM 740 CE3 TRP A 46 -6.734 -9.238 10.289 1.00 72.31 C ATOM 741 CZ2 TRP A 46 -7.371 -11.959 9.961 1.00 72.22 C ATOM 742 CZ3 TRP A 46 -6.083 -10.213 11.008 1.00 22.20 C ATOM 743 CH2 TRP A 46 -6.404 -11.563 10.846 1.00 53.51 C ATOM 0 H TRP A 46 -10.980 -6.579 7.081 1.00 42.23 H new ATOM 0 HA TRP A 46 -10.115 -7.052 9.889 1.00 43.41 H new ATOM 0 HB2 TRP A 46 -8.543 -7.162 7.263 1.00 70.23 H new ATOM 0 HB3 TRP A 46 -7.740 -6.964 8.808 1.00 70.23 H new ATOM 0 HD1 TRP A 46 -10.059 -9.617 7.077 1.00 5.34 H new ATOM 0 HE1 TRP A 46 -9.445 -11.949 7.993 1.00 33.44 H new ATOM 0 HE3 TRP A 46 -6.485 -8.196 10.427 1.00 72.31 H new ATOM 0 HZ2 TRP A 46 -7.618 -13.003 9.833 1.00 72.22 H new ATOM 0 HZ3 TRP A 46 -5.311 -9.931 11.709 1.00 22.20 H new ATOM 0 HH2 TRP A 46 -5.881 -12.307 11.429 1.00 53.51 H new ATOM 754 N PRO A 47 -10.344 -4.379 9.899 1.00 73.01 N ATOM 755 CA PRO A 47 -10.066 -2.929 10.147 1.00 73.02 C ATOM 756 C PRO A 47 -8.621 -2.660 10.683 1.00 60.10 C ATOM 757 O PRO A 47 -8.212 -3.215 11.711 1.00 15.34 O ATOM 758 CB PRO A 47 -11.153 -2.526 11.196 1.00 11.42 C ATOM 759 CG PRO A 47 -11.601 -3.828 11.803 1.00 12.43 C ATOM 760 CD PRO A 47 -11.518 -4.843 10.684 1.00 73.44 C ATOM 0 HA PRO A 47 -10.112 -2.345 9.228 1.00 73.02 H new ATOM 0 HB2 PRO A 47 -10.744 -1.857 11.953 1.00 11.42 H new ATOM 0 HB3 PRO A 47 -11.984 -2.003 10.723 1.00 11.42 H new ATOM 0 HG2 PRO A 47 -10.962 -4.112 12.639 1.00 12.43 H new ATOM 0 HG3 PRO A 47 -12.617 -3.752 12.190 1.00 12.43 H new ATOM 0 HD2 PRO A 47 -11.374 -5.854 11.066 1.00 73.44 H new ATOM 0 HD3 PRO A 47 -12.427 -4.856 10.082 1.00 73.44 H new ATOM 768 N ALA A 48 -7.863 -1.792 9.971 1.00 13.12 N ATOM 769 CA ALA A 48 -6.466 -1.442 10.331 1.00 73.13 C ATOM 770 C ALA A 48 -6.402 -0.374 11.448 1.00 63.30 C ATOM 771 O ALA A 48 -7.330 0.420 11.625 1.00 23.03 O ATOM 772 CB ALA A 48 -5.704 -0.951 9.084 1.00 64.41 C ATOM 0 H ALA A 48 -8.200 -1.316 9.134 1.00 13.12 H new ATOM 0 HA ALA A 48 -5.992 -2.345 10.716 1.00 73.13 H new ATOM 0 HB1 ALA A 48 -4.680 -0.697 9.360 1.00 64.41 H new ATOM 0 HB2 ALA A 48 -5.692 -1.739 8.331 1.00 64.41 H new ATOM 0 HB3 ALA A 48 -6.200 -0.069 8.678 1.00 64.41 H new ATOM 778 N THR A 49 -5.286 -0.373 12.199 1.00 72.50 N ATOM 779 CA THR A 49 -4.991 0.628 13.252 1.00 55.03 C ATOM 780 C THR A 49 -3.471 0.906 13.295 1.00 34.50 C ATOM 781 O THR A 49 -2.683 -0.007 13.566 1.00 11.13 O ATOM 782 CB THR A 49 -5.477 0.157 14.671 1.00 61.21 C ATOM 783 OG1 THR A 49 -6.887 -0.128 14.654 1.00 2.55 O ATOM 784 CG2 THR A 49 -5.197 1.213 15.761 1.00 13.33 C ATOM 0 H THR A 49 -4.552 -1.074 12.094 1.00 72.50 H new ATOM 0 HA THR A 49 -5.535 1.538 13.000 1.00 55.03 H new ATOM 0 HB THR A 49 -4.915 -0.746 14.910 1.00 61.21 H new ATOM 0 HG1 THR A 49 -7.172 -0.421 15.545 1.00 2.55 H new ATOM 0 HG21 THR A 49 -5.550 0.844 16.724 1.00 13.33 H new ATOM 0 HG22 THR A 49 -4.125 1.404 15.816 1.00 13.33 H new ATOM 0 HG23 THR A 49 -5.718 2.138 15.514 1.00 13.33 H new ATOM 792 N PHE A 50 -3.068 2.161 13.023 1.00 71.13 N ATOM 793 CA PHE A 50 -1.643 2.573 12.994 1.00 32.33 C ATOM 794 C PHE A 50 -1.154 3.070 14.373 1.00 45.11 C ATOM 795 O PHE A 50 -1.737 3.984 14.965 1.00 45.42 O ATOM 796 CB PHE A 50 -1.403 3.655 11.892 1.00 62.25 C ATOM 797 CG PHE A 50 -1.269 3.068 10.487 1.00 0.35 C ATOM 798 CD1 PHE A 50 -2.375 2.531 9.825 1.00 61.12 C ATOM 799 CD2 PHE A 50 -0.028 3.021 9.845 1.00 12.15 C ATOM 800 CE1 PHE A 50 -2.246 1.967 8.572 1.00 54.40 C ATOM 801 CE2 PHE A 50 0.098 2.461 8.590 1.00 41.25 C ATOM 802 CZ PHE A 50 -1.011 1.930 7.957 1.00 5.22 C ATOM 0 H PHE A 50 -3.716 2.921 12.817 1.00 71.13 H new ATOM 0 HA PHE A 50 -1.055 1.690 12.746 1.00 32.33 H new ATOM 0 HB2 PHE A 50 -2.230 4.365 11.904 1.00 62.25 H new ATOM 0 HB3 PHE A 50 -0.499 4.214 12.132 1.00 62.25 H new ATOM 0 HD1 PHE A 50 -3.345 2.557 10.300 1.00 61.12 H new ATOM 0 HD2 PHE A 50 0.843 3.428 10.337 1.00 12.15 H new ATOM 0 HE1 PHE A 50 -3.111 1.555 8.073 1.00 54.40 H new ATOM 0 HE2 PHE A 50 1.062 2.437 8.103 1.00 41.25 H new ATOM 0 HZ PHE A 50 -0.910 1.485 6.978 1.00 5.22 H new ATOM 812 N GLU A 51 -0.081 2.431 14.866 1.00 14.33 N ATOM 813 CA GLU A 51 0.670 2.870 16.059 1.00 50.03 C ATOM 814 C GLU A 51 1.611 4.026 15.703 1.00 20.42 C ATOM 815 O GLU A 51 1.686 5.036 16.414 1.00 40.05 O ATOM 816 CB GLU A 51 1.485 1.673 16.620 1.00 52.21 C ATOM 817 CG GLU A 51 0.620 0.485 17.085 1.00 33.20 C ATOM 818 CD GLU A 51 -0.223 0.797 18.338 1.00 40.11 C ATOM 819 OE1 GLU A 51 0.305 0.661 19.464 1.00 54.14 O ATOM 820 OE2 GLU A 51 -1.401 1.185 18.205 1.00 50.01 O ATOM 0 H GLU A 51 0.297 1.583 14.443 1.00 14.33 H new ATOM 0 HA GLU A 51 -0.032 3.220 16.816 1.00 50.03 H new ATOM 0 HB2 GLU A 51 2.176 1.326 15.852 1.00 52.21 H new ATOM 0 HB3 GLU A 51 2.088 2.020 17.459 1.00 52.21 H new ATOM 0 HG2 GLU A 51 -0.044 0.189 16.273 1.00 33.20 H new ATOM 0 HG3 GLU A 51 1.267 -0.367 17.294 1.00 33.20 H new ATOM 827 N THR A 52 2.320 3.859 14.584 1.00 32.32 N ATOM 828 CA THR A 52 3.317 4.829 14.113 1.00 53.14 C ATOM 829 C THR A 52 3.177 5.038 12.594 1.00 53.01 C ATOM 830 O THR A 52 2.789 4.119 11.871 1.00 41.25 O ATOM 831 CB THR A 52 4.768 4.336 14.446 1.00 53.11 C ATOM 832 OG1 THR A 52 4.825 3.873 15.807 1.00 72.20 O ATOM 833 CG2 THR A 52 5.808 5.451 14.262 1.00 34.22 C ATOM 0 H THR A 52 2.220 3.046 13.976 1.00 32.32 H new ATOM 0 HA THR A 52 3.142 5.775 14.624 1.00 53.14 H new ATOM 0 HB THR A 52 5.003 3.527 13.755 1.00 53.11 H new ATOM 0 HG1 THR A 52 5.733 3.564 16.010 1.00 72.20 H new ATOM 0 HG21 THR A 52 6.799 5.067 14.503 1.00 34.22 H new ATOM 0 HG22 THR A 52 5.794 5.795 13.228 1.00 34.22 H new ATOM 0 HG23 THR A 52 5.570 6.283 14.924 1.00 34.22 H new ATOM 841 N HIS A 53 3.458 6.261 12.136 1.00 52.42 N ATOM 842 CA HIS A 53 3.531 6.601 10.707 1.00 54.51 C ATOM 843 C HIS A 53 4.299 7.934 10.550 1.00 43.20 C ATOM 844 O HIS A 53 3.722 9.014 10.692 1.00 55.34 O ATOM 845 CB HIS A 53 2.099 6.668 10.108 1.00 34.52 C ATOM 846 CG HIS A 53 2.028 6.980 8.636 1.00 51.43 C ATOM 847 ND1 HIS A 53 1.995 8.273 8.190 1.00 62.42 N ATOM 848 CD2 HIS A 53 1.937 6.148 7.572 1.00 15.32 C ATOM 849 CE1 HIS A 53 1.885 8.204 6.886 1.00 34.41 C ATOM 850 NE2 HIS A 53 1.847 6.939 6.460 1.00 72.04 N ATOM 0 H HIS A 53 3.644 7.053 12.751 1.00 52.42 H new ATOM 0 HA HIS A 53 4.072 5.833 10.155 1.00 54.51 H new ATOM 0 HB2 HIS A 53 1.605 5.712 10.284 1.00 34.52 H new ATOM 0 HB3 HIS A 53 1.532 7.425 10.650 1.00 34.52 H new ATOM 0 HD2 HIS A 53 1.936 5.068 7.597 1.00 15.32 H new ATOM 0 HE1 HIS A 53 1.832 9.065 6.236 1.00 34.41 H new ATOM 0 HE2 HIS A 53 1.767 6.624 5.493 1.00 72.04 H new ATOM 858 N GLU A 54 5.624 7.837 10.332 1.00 60.00 N ATOM 859 CA GLU A 54 6.527 9.013 10.247 1.00 30.55 C ATOM 860 C GLU A 54 6.266 9.846 8.971 1.00 43.40 C ATOM 861 O GLU A 54 6.140 11.076 9.034 1.00 33.21 O ATOM 862 CB GLU A 54 8.013 8.550 10.274 1.00 43.54 C ATOM 863 CG GLU A 54 8.439 7.808 11.559 1.00 11.54 C ATOM 864 CD GLU A 54 8.300 8.669 12.826 1.00 3.21 C ATOM 865 OE1 GLU A 54 9.071 9.636 12.983 1.00 40.03 O ATOM 866 OE2 GLU A 54 7.424 8.389 13.670 1.00 33.42 O ATOM 0 H GLU A 54 6.103 6.945 10.209 1.00 60.00 H new ATOM 0 HA GLU A 54 6.323 9.646 11.110 1.00 30.55 H new ATOM 0 HB2 GLU A 54 8.191 7.897 9.419 1.00 43.54 H new ATOM 0 HB3 GLU A 54 8.653 9.423 10.147 1.00 43.54 H new ATOM 0 HG2 GLU A 54 7.834 6.908 11.670 1.00 11.54 H new ATOM 0 HG3 GLU A 54 9.475 7.485 11.458 1.00 11.54 H new ATOM 873 N PHE A 55 6.186 9.135 7.831 1.00 72.21 N ATOM 874 CA PHE A 55 6.070 9.720 6.479 1.00 44.01 C ATOM 875 C PHE A 55 7.225 10.718 6.195 1.00 21.54 C ATOM 876 O PHE A 55 7.025 11.935 6.128 1.00 54.44 O ATOM 877 CB PHE A 55 4.671 10.361 6.247 1.00 14.44 C ATOM 878 CG PHE A 55 4.292 10.467 4.770 1.00 45.04 C ATOM 879 CD1 PHE A 55 3.874 9.330 4.076 1.00 20.23 C ATOM 880 CD2 PHE A 55 4.367 11.670 4.070 1.00 32.34 C ATOM 881 CE1 PHE A 55 3.540 9.392 2.743 1.00 21.11 C ATOM 882 CE2 PHE A 55 4.028 11.729 2.732 1.00 42.10 C ATOM 883 CZ PHE A 55 3.616 10.587 2.074 1.00 42.05 C ATOM 0 H PHE A 55 6.200 8.115 7.822 1.00 72.21 H new ATOM 0 HA PHE A 55 6.165 8.907 5.759 1.00 44.01 H new ATOM 0 HB2 PHE A 55 3.917 9.770 6.767 1.00 14.44 H new ATOM 0 HB3 PHE A 55 4.657 11.356 6.691 1.00 14.44 H new ATOM 0 HD1 PHE A 55 3.812 8.385 4.595 1.00 20.23 H new ATOM 0 HD2 PHE A 55 4.693 12.565 4.579 1.00 32.34 H new ATOM 0 HE1 PHE A 55 3.218 8.501 2.224 1.00 21.11 H new ATOM 0 HE2 PHE A 55 4.085 12.668 2.201 1.00 42.10 H new ATOM 0 HZ PHE A 55 3.352 10.635 1.028 1.00 42.05 H new ATOM 893 N THR A 56 8.443 10.169 6.076 1.00 71.14 N ATOM 894 CA THR A 56 9.672 10.950 5.807 1.00 1.32 C ATOM 895 C THR A 56 10.768 10.035 5.218 1.00 13.20 C ATOM 896 O THR A 56 10.672 8.809 5.315 1.00 71.44 O ATOM 897 CB THR A 56 10.203 11.673 7.098 1.00 61.11 C ATOM 898 OG1 THR A 56 11.331 12.511 6.786 1.00 32.30 O ATOM 899 CG2 THR A 56 10.598 10.683 8.209 1.00 62.20 C ATOM 0 H THR A 56 8.610 9.167 6.163 1.00 71.14 H new ATOM 0 HA THR A 56 9.418 11.722 5.080 1.00 1.32 H new ATOM 0 HB THR A 56 9.380 12.283 7.469 1.00 61.11 H new ATOM 0 HG1 THR A 56 11.646 12.953 7.602 1.00 32.30 H new ATOM 0 HG21 THR A 56 10.958 11.235 9.077 1.00 62.20 H new ATOM 0 HG22 THR A 56 9.730 10.088 8.492 1.00 62.20 H new ATOM 0 HG23 THR A 56 11.387 10.024 7.846 1.00 62.20 H new ATOM 907 N VAL A 57 11.809 10.636 4.622 1.00 44.51 N ATOM 908 CA VAL A 57 12.943 9.889 4.025 1.00 72.12 C ATOM 909 C VAL A 57 13.772 9.181 5.143 1.00 11.51 C ATOM 910 O VAL A 57 14.430 9.837 5.961 1.00 23.33 O ATOM 911 CB VAL A 57 13.848 10.853 3.164 1.00 41.25 C ATOM 912 CG1 VAL A 57 15.117 10.139 2.626 1.00 75.14 C ATOM 913 CG2 VAL A 57 13.031 11.486 2.000 1.00 1.13 C ATOM 0 H VAL A 57 11.895 11.649 4.537 1.00 44.51 H new ATOM 0 HA VAL A 57 12.548 9.121 3.360 1.00 72.12 H new ATOM 0 HB VAL A 57 14.186 11.652 3.824 1.00 41.25 H new ATOM 0 HG11 VAL A 57 15.709 10.842 2.039 1.00 75.14 H new ATOM 0 HG12 VAL A 57 15.712 9.774 3.463 1.00 75.14 H new ATOM 0 HG13 VAL A 57 14.823 9.299 1.997 1.00 75.14 H new ATOM 0 HG21 VAL A 57 13.676 12.147 1.420 1.00 1.13 H new ATOM 0 HG22 VAL A 57 12.646 10.697 1.354 1.00 1.13 H new ATOM 0 HG23 VAL A 57 12.199 12.059 2.409 1.00 1.13 H new ATOM 923 N GLY A 58 13.684 7.837 5.182 1.00 22.23 N ATOM 924 CA GLY A 58 14.330 7.018 6.229 1.00 53.12 C ATOM 925 C GLY A 58 13.418 6.708 7.427 1.00 73.11 C ATOM 926 O GLY A 58 13.837 6.012 8.359 1.00 51.44 O ATOM 0 H GLY A 58 13.167 7.290 4.494 1.00 22.23 H new ATOM 0 HA2 GLY A 58 14.665 6.080 5.787 1.00 53.12 H new ATOM 0 HA3 GLY A 58 15.219 7.538 6.586 1.00 53.12 H new ATOM 930 N GLY A 59 12.171 7.230 7.404 1.00 33.13 N ATOM 931 CA GLY A 59 11.184 6.985 8.475 1.00 4.33 C ATOM 932 C GLY A 59 10.392 5.691 8.278 1.00 33.52 C ATOM 933 O GLY A 59 10.374 5.140 7.183 1.00 71.53 O ATOM 0 H GLY A 59 11.825 7.826 6.652 1.00 33.13 H new ATOM 0 HA2 GLY A 59 11.700 6.945 9.434 1.00 4.33 H new ATOM 0 HA3 GLY A 59 10.491 7.825 8.521 1.00 4.33 H new ATOM 937 N LYS A 60 9.725 5.198 9.343 1.00 2.34 N ATOM 938 CA LYS A 60 8.969 3.911 9.306 1.00 15.42 C ATOM 939 C LYS A 60 7.492 4.080 9.758 1.00 31.34 C ATOM 940 O LYS A 60 7.096 5.137 10.251 1.00 55.53 O ATOM 941 CB LYS A 60 9.708 2.853 10.175 1.00 13.34 C ATOM 942 CG LYS A 60 11.168 2.585 9.727 1.00 14.23 C ATOM 943 CD LYS A 60 11.892 1.447 10.495 1.00 61.51 C ATOM 944 CE LYS A 60 11.385 0.026 10.146 1.00 74.41 C ATOM 945 NZ LYS A 60 10.073 -0.277 10.752 1.00 42.53 N ATOM 0 H LYS A 60 9.690 5.669 10.247 1.00 2.34 H new ATOM 0 HA LYS A 60 8.933 3.567 8.272 1.00 15.42 H new ATOM 0 HB2 LYS A 60 9.712 3.187 11.213 1.00 13.34 H new ATOM 0 HB3 LYS A 60 9.150 1.917 10.143 1.00 13.34 H new ATOM 0 HG2 LYS A 60 11.167 2.342 8.664 1.00 14.23 H new ATOM 0 HG3 LYS A 60 11.742 3.504 9.844 1.00 14.23 H new ATOM 0 HD2 LYS A 60 12.960 1.502 10.283 1.00 61.51 H new ATOM 0 HD3 LYS A 60 11.771 1.612 11.566 1.00 61.51 H new ATOM 0 HE2 LYS A 60 11.312 -0.073 9.063 1.00 74.41 H new ATOM 0 HE3 LYS A 60 12.115 -0.709 10.485 1.00 74.41 H new ATOM 0 HZ1 LYS A 60 10.084 -1.243 11.138 1.00 42.53 H new ATOM 0 HZ2 LYS A 60 9.879 0.400 11.517 1.00 42.53 H new ATOM 0 HZ3 LYS A 60 9.330 -0.202 10.028 1.00 42.53 H new ATOM 959 N ALA A 61 6.675 3.017 9.569 1.00 12.41 N ATOM 960 CA ALA A 61 5.230 3.027 9.923 1.00 31.12 C ATOM 961 C ALA A 61 4.777 1.663 10.494 1.00 70.21 C ATOM 962 O ALA A 61 4.913 0.639 9.835 1.00 72.42 O ATOM 963 CB ALA A 61 4.382 3.409 8.695 1.00 41.44 C ATOM 0 H ALA A 61 6.993 2.134 9.170 1.00 12.41 H new ATOM 0 HA ALA A 61 5.081 3.776 10.701 1.00 31.12 H new ATOM 0 HB1 ALA A 61 3.327 3.412 8.968 1.00 41.44 H new ATOM 0 HB2 ALA A 61 4.670 4.401 8.348 1.00 41.44 H new ATOM 0 HB3 ALA A 61 4.548 2.684 7.898 1.00 41.44 H new ATOM 969 N ALA A 62 4.211 1.668 11.716 1.00 45.12 N ATOM 970 CA ALA A 62 3.763 0.442 12.422 1.00 52.34 C ATOM 971 C ALA A 62 2.227 0.392 12.466 1.00 51.33 C ATOM 972 O ALA A 62 1.581 1.409 12.737 1.00 23.43 O ATOM 973 CB ALA A 62 4.326 0.402 13.852 1.00 43.53 C ATOM 0 H ALA A 62 4.049 2.524 12.247 1.00 45.12 H new ATOM 0 HA ALA A 62 4.137 -0.425 11.877 1.00 52.34 H new ATOM 0 HB1 ALA A 62 3.985 -0.505 14.352 1.00 43.53 H new ATOM 0 HB2 ALA A 62 5.415 0.408 13.814 1.00 43.53 H new ATOM 0 HB3 ALA A 62 3.977 1.274 14.405 1.00 43.53 H new ATOM 979 N TYR A 63 1.655 -0.794 12.218 1.00 13.54 N ATOM 980 CA TYR A 63 0.193 -1.005 12.258 1.00 4.45 C ATOM 981 C TYR A 63 -0.173 -2.465 12.590 1.00 22.14 C ATOM 982 O TYR A 63 0.697 -3.336 12.701 1.00 31.42 O ATOM 983 CB TYR A 63 -0.463 -0.573 10.914 1.00 13.24 C ATOM 984 CG TYR A 63 -0.039 -1.379 9.668 1.00 72.21 C ATOM 985 CD1 TYR A 63 1.099 -1.033 8.925 1.00 51.41 C ATOM 986 CD2 TYR A 63 -0.785 -2.478 9.227 1.00 44.13 C ATOM 987 CE1 TYR A 63 1.470 -1.751 7.800 1.00 4.33 C ATOM 988 CE2 TYR A 63 -0.416 -3.199 8.110 1.00 13.34 C ATOM 989 CZ TYR A 63 0.710 -2.833 7.398 1.00 14.33 C ATOM 990 OH TYR A 63 1.075 -3.553 6.277 1.00 74.34 O ATOM 0 H TYR A 63 2.186 -1.633 11.985 1.00 13.54 H new ATOM 0 HA TYR A 63 -0.199 -0.379 13.060 1.00 4.45 H new ATOM 0 HB2 TYR A 63 -1.545 -0.647 11.020 1.00 13.24 H new ATOM 0 HB3 TYR A 63 -0.231 0.478 10.740 1.00 13.24 H new ATOM 0 HD1 TYR A 63 1.698 -0.190 9.236 1.00 51.41 H new ATOM 0 HD2 TYR A 63 -1.670 -2.768 9.774 1.00 44.13 H new ATOM 0 HE1 TYR A 63 2.349 -1.467 7.240 1.00 4.33 H new ATOM 0 HE2 TYR A 63 -1.005 -4.047 7.793 1.00 13.34 H new ATOM 0 HH TYR A 63 0.435 -4.281 6.133 1.00 74.34 H new ATOM 1000 N TYR A 64 -1.481 -2.696 12.762 1.00 73.50 N ATOM 1001 CA TYR A 64 -2.072 -4.035 12.926 1.00 42.04 C ATOM 1002 C TYR A 64 -3.556 -4.001 12.501 1.00 25.10 C ATOM 1003 O TYR A 64 -4.253 -3.010 12.742 1.00 72.10 O ATOM 1004 CB TYR A 64 -1.928 -4.535 14.396 1.00 31.22 C ATOM 1005 CG TYR A 64 -2.617 -3.650 15.457 1.00 10.01 C ATOM 1006 CD1 TYR A 64 -2.004 -2.491 15.951 1.00 42.12 C ATOM 1007 CD2 TYR A 64 -3.886 -3.975 15.959 1.00 24.35 C ATOM 1008 CE1 TYR A 64 -2.628 -1.705 16.899 1.00 71.22 C ATOM 1009 CE2 TYR A 64 -4.508 -3.193 16.907 1.00 51.31 C ATOM 1010 CZ TYR A 64 -3.877 -2.057 17.374 1.00 53.31 C ATOM 1011 OH TYR A 64 -4.497 -1.270 18.325 1.00 22.50 O ATOM 0 H TYR A 64 -2.172 -1.946 12.792 1.00 73.50 H new ATOM 0 HA TYR A 64 -1.535 -4.736 12.287 1.00 42.04 H new ATOM 0 HB2 TYR A 64 -2.339 -5.542 14.463 1.00 31.22 H new ATOM 0 HB3 TYR A 64 -0.867 -4.606 14.637 1.00 31.22 H new ATOM 0 HD1 TYR A 64 -1.028 -2.208 15.585 1.00 42.12 H new ATOM 0 HD2 TYR A 64 -4.387 -4.859 15.594 1.00 24.35 H new ATOM 0 HE1 TYR A 64 -2.140 -0.815 17.269 1.00 71.22 H new ATOM 0 HE2 TYR A 64 -5.483 -3.467 17.283 1.00 51.31 H new ATOM 0 HH TYR A 64 -5.369 -1.656 18.551 1.00 22.50 H new ATOM 1021 N MET A 65 -4.028 -5.071 11.851 1.00 10.45 N ATOM 1022 CA MET A 65 -5.455 -5.235 11.513 1.00 12.22 C ATOM 1023 C MET A 65 -6.123 -6.192 12.522 1.00 35.01 C ATOM 1024 O MET A 65 -5.628 -7.303 12.747 1.00 62.30 O ATOM 1025 CB MET A 65 -5.637 -5.766 10.064 1.00 24.43 C ATOM 1026 CG MET A 65 -5.114 -4.839 8.954 1.00 52.24 C ATOM 1027 SD MET A 65 -3.312 -4.726 8.906 1.00 11.12 S ATOM 1028 CE MET A 65 -2.852 -6.386 8.401 1.00 52.13 C ATOM 0 H MET A 65 -3.440 -5.846 11.544 1.00 10.45 H new ATOM 0 HA MET A 65 -5.934 -4.258 11.570 1.00 12.22 H new ATOM 0 HB2 MET A 65 -5.130 -6.727 9.981 1.00 24.43 H new ATOM 0 HB3 MET A 65 -6.698 -5.949 9.892 1.00 24.43 H new ATOM 0 HG2 MET A 65 -5.474 -5.199 7.990 1.00 52.24 H new ATOM 0 HG3 MET A 65 -5.530 -3.842 9.097 1.00 52.24 H new ATOM 0 HE1 MET A 65 -1.842 -6.375 7.992 1.00 52.13 H new ATOM 0 HE2 MET A 65 -2.888 -7.052 9.263 1.00 52.13 H new ATOM 0 HE3 MET A 65 -3.547 -6.741 7.640 1.00 52.13 H new ATOM 1038 N THR A 66 -7.215 -5.736 13.149 1.00 45.14 N ATOM 1039 CA THR A 66 -8.041 -6.564 14.052 1.00 35.33 C ATOM 1040 C THR A 66 -9.076 -7.345 13.216 1.00 23.01 C ATOM 1041 O THR A 66 -9.946 -6.748 12.591 1.00 3.11 O ATOM 1042 CB THR A 66 -8.761 -5.679 15.129 1.00 70.33 C ATOM 1043 OG1 THR A 66 -7.776 -4.947 15.880 1.00 31.34 O ATOM 1044 CG2 THR A 66 -9.626 -6.514 16.100 1.00 55.45 C ATOM 0 H THR A 66 -7.556 -4.780 13.047 1.00 45.14 H new ATOM 0 HA THR A 66 -7.394 -7.264 14.581 1.00 35.33 H new ATOM 0 HB THR A 66 -9.428 -4.999 14.599 1.00 70.33 H new ATOM 0 HG1 THR A 66 -8.223 -4.392 16.552 1.00 31.34 H new ATOM 0 HG21 THR A 66 -10.101 -5.853 16.824 1.00 55.45 H new ATOM 0 HG22 THR A 66 -10.393 -7.047 15.538 1.00 55.45 H new ATOM 0 HG23 THR A 66 -8.995 -7.232 16.624 1.00 55.45 H new ATOM 1052 N GLY A 67 -8.966 -8.681 13.216 1.00 50.50 N ATOM 1053 CA GLY A 67 -9.748 -9.537 12.317 1.00 41.53 C ATOM 1054 C GLY A 67 -11.210 -9.760 12.711 1.00 2.22 C ATOM 1055 O GLY A 67 -11.659 -9.272 13.756 1.00 32.53 O ATOM 0 H GLY A 67 -8.337 -9.194 13.834 1.00 50.50 H new ATOM 0 HA2 GLY A 67 -9.723 -9.101 11.318 1.00 41.53 H new ATOM 0 HA3 GLY A 67 -9.257 -10.508 12.253 1.00 41.53 H new ATOM 1059 N PRO A 68 -11.986 -10.541 11.884 1.00 42.05 N ATOM 1060 CA PRO A 68 -13.399 -10.902 12.196 1.00 40.34 C ATOM 1061 C PRO A 68 -13.508 -11.860 13.419 1.00 2.52 C ATOM 1062 O PRO A 68 -14.584 -12.021 14.008 1.00 74.43 O ATOM 1063 CB PRO A 68 -13.889 -11.578 10.885 1.00 41.34 C ATOM 1064 CG PRO A 68 -12.637 -12.109 10.231 1.00 22.23 C ATOM 1065 CD PRO A 68 -11.543 -11.122 10.576 1.00 73.24 C ATOM 0 HA PRO A 68 -14.000 -10.039 12.482 1.00 40.34 H new ATOM 0 HB2 PRO A 68 -14.596 -12.381 11.095 1.00 41.34 H new ATOM 0 HB3 PRO A 68 -14.400 -10.864 10.239 1.00 41.34 H new ATOM 0 HG2 PRO A 68 -12.395 -13.106 10.600 1.00 22.23 H new ATOM 0 HG3 PRO A 68 -12.764 -12.191 9.152 1.00 22.23 H new ATOM 0 HD2 PRO A 68 -10.574 -11.613 10.664 1.00 73.24 H new ATOM 0 HD3 PRO A 68 -11.442 -10.353 9.810 1.00 73.24 H new ATOM 1073 N ASP A 69 -12.375 -12.492 13.776 1.00 1.14 N ATOM 1074 CA ASP A 69 -12.254 -13.363 14.965 1.00 50.33 C ATOM 1075 C ASP A 69 -11.585 -12.601 16.153 1.00 12.13 C ATOM 1076 O ASP A 69 -11.557 -13.098 17.289 1.00 11.43 O ATOM 1077 CB ASP A 69 -11.443 -14.626 14.569 1.00 62.31 C ATOM 1078 CG ASP A 69 -11.487 -15.746 15.615 1.00 42.51 C ATOM 1079 OD1 ASP A 69 -12.472 -16.520 15.622 1.00 50.45 O ATOM 1080 OD2 ASP A 69 -10.549 -15.862 16.428 1.00 22.14 O ATOM 0 H ASP A 69 -11.508 -12.413 13.244 1.00 1.14 H new ATOM 0 HA ASP A 69 -13.245 -13.663 15.305 1.00 50.33 H new ATOM 0 HB2 ASP A 69 -11.826 -15.010 13.624 1.00 62.31 H new ATOM 0 HB3 ASP A 69 -10.405 -14.341 14.400 1.00 62.31 H new ATOM 1085 N GLY A 70 -11.081 -11.379 15.881 1.00 52.23 N ATOM 1086 CA GLY A 70 -10.337 -10.576 16.871 1.00 44.05 C ATOM 1087 C GLY A 70 -8.816 -10.781 16.810 1.00 44.32 C ATOM 1088 O GLY A 70 -8.088 -10.327 17.702 1.00 3.43 O ATOM 0 H GLY A 70 -11.178 -10.924 14.973 1.00 52.23 H new ATOM 0 HA2 GLY A 70 -10.560 -9.521 16.712 1.00 44.05 H new ATOM 0 HA3 GLY A 70 -10.690 -10.829 17.871 1.00 44.05 H new ATOM 1092 N THR A 71 -8.339 -11.468 15.756 1.00 40.44 N ATOM 1093 CA THR A 71 -6.898 -11.757 15.555 1.00 34.10 C ATOM 1094 C THR A 71 -6.132 -10.503 15.066 1.00 54.23 C ATOM 1095 O THR A 71 -6.495 -9.909 14.057 1.00 0.01 O ATOM 1096 CB THR A 71 -6.702 -12.929 14.522 1.00 1.02 C ATOM 1097 OG1 THR A 71 -7.406 -14.104 14.981 1.00 33.11 O ATOM 1098 CG2 THR A 71 -5.216 -13.285 14.292 1.00 53.22 C ATOM 0 H THR A 71 -8.937 -11.840 15.018 1.00 40.44 H new ATOM 0 HA THR A 71 -6.491 -12.057 16.521 1.00 34.10 H new ATOM 0 HB THR A 71 -7.106 -12.584 13.570 1.00 1.02 H new ATOM 0 HG1 THR A 71 -7.284 -14.831 14.336 1.00 33.11 H new ATOM 0 HG21 THR A 71 -5.144 -14.099 13.571 1.00 53.22 H new ATOM 0 HG22 THR A 71 -4.688 -12.412 13.908 1.00 53.22 H new ATOM 0 HG23 THR A 71 -4.766 -13.595 15.235 1.00 53.22 H new ATOM 1106 N LYS A 72 -5.079 -10.098 15.803 1.00 55.05 N ATOM 1107 CA LYS A 72 -4.197 -8.977 15.401 1.00 62.04 C ATOM 1108 C LYS A 72 -3.055 -9.472 14.477 1.00 1.02 C ATOM 1109 O LYS A 72 -2.184 -10.240 14.907 1.00 14.02 O ATOM 1110 CB LYS A 72 -3.607 -8.251 16.650 1.00 4.32 C ATOM 1111 CG LYS A 72 -4.497 -7.161 17.282 1.00 13.34 C ATOM 1112 CD LYS A 72 -5.801 -7.684 17.921 1.00 25.42 C ATOM 1113 CE LYS A 72 -6.624 -6.541 18.546 1.00 62.35 C ATOM 1114 NZ LYS A 72 -5.896 -5.864 19.652 1.00 74.44 N ATOM 0 H LYS A 72 -4.815 -10.533 16.687 1.00 55.05 H new ATOM 0 HA LYS A 72 -4.805 -8.263 14.845 1.00 62.04 H new ATOM 0 HB2 LYS A 72 -3.388 -9.000 17.411 1.00 4.32 H new ATOM 0 HB3 LYS A 72 -2.657 -7.797 16.367 1.00 4.32 H new ATOM 0 HG2 LYS A 72 -3.920 -6.636 18.044 1.00 13.34 H new ATOM 0 HG3 LYS A 72 -4.752 -6.430 16.515 1.00 13.34 H new ATOM 0 HD2 LYS A 72 -6.399 -8.192 17.165 1.00 25.42 H new ATOM 0 HD3 LYS A 72 -5.561 -8.422 18.687 1.00 25.42 H new ATOM 0 HE2 LYS A 72 -6.872 -5.811 17.776 1.00 62.35 H new ATOM 0 HE3 LYS A 72 -7.566 -6.938 18.923 1.00 62.35 H new ATOM 0 HZ1 LYS A 72 -6.552 -5.247 20.173 1.00 74.44 H new ATOM 0 HZ2 LYS A 72 -5.505 -6.578 20.299 1.00 74.44 H new ATOM 0 HZ3 LYS A 72 -5.121 -5.292 19.259 1.00 74.44 H new ATOM 1128 N ALA A 73 -3.065 -9.015 13.215 1.00 14.40 N ATOM 1129 CA ALA A 73 -1.969 -9.255 12.252 1.00 32.31 C ATOM 1130 C ALA A 73 -1.145 -7.962 12.082 1.00 10.35 C ATOM 1131 O ALA A 73 -1.631 -6.989 11.491 1.00 53.23 O ATOM 1132 CB ALA A 73 -2.533 -9.737 10.903 1.00 24.21 C ATOM 0 H ALA A 73 -3.834 -8.467 12.829 1.00 14.40 H new ATOM 0 HA ALA A 73 -1.315 -10.039 12.634 1.00 32.31 H new ATOM 0 HB1 ALA A 73 -1.713 -9.909 10.206 1.00 24.21 H new ATOM 0 HB2 ALA A 73 -3.085 -10.666 11.050 1.00 24.21 H new ATOM 0 HB3 ALA A 73 -3.202 -8.978 10.496 1.00 24.21 H new ATOM 1138 N ARG A 74 0.091 -7.944 12.626 1.00 21.53 N ATOM 1139 CA ARG A 74 0.957 -6.742 12.598 1.00 54.03 C ATOM 1140 C ARG A 74 1.694 -6.601 11.244 1.00 64.45 C ATOM 1141 O ARG A 74 2.016 -7.593 10.579 1.00 22.35 O ATOM 1142 CB ARG A 74 1.999 -6.737 13.763 1.00 42.32 C ATOM 1143 CG ARG A 74 1.424 -6.602 15.203 1.00 64.44 C ATOM 1144 CD ARG A 74 0.806 -7.901 15.750 1.00 24.25 C ATOM 1145 NE ARG A 74 0.343 -7.753 17.140 1.00 2.33 N ATOM 1146 CZ ARG A 74 -0.313 -8.658 17.830 1.00 62.24 C ATOM 1147 NH1 ARG A 74 -0.682 -9.784 17.298 1.00 51.44 N ATOM 1148 NH2 ARG A 74 -0.618 -8.411 19.059 1.00 2.33 N ATOM 0 H ARG A 74 0.513 -8.748 13.090 1.00 21.53 H new ATOM 0 HA ARG A 74 0.292 -5.888 12.729 1.00 54.03 H new ATOM 0 HB2 ARG A 74 2.575 -7.661 13.710 1.00 42.32 H new ATOM 0 HB3 ARG A 74 2.696 -5.916 13.595 1.00 42.32 H new ATOM 0 HG2 ARG A 74 2.221 -6.279 15.873 1.00 64.44 H new ATOM 0 HG3 ARG A 74 0.666 -5.819 15.209 1.00 64.44 H new ATOM 0 HD2 ARG A 74 -0.032 -8.197 15.119 1.00 24.25 H new ATOM 0 HD3 ARG A 74 1.543 -8.702 15.697 1.00 24.25 H new ATOM 0 HE ARG A 74 0.550 -6.871 17.608 1.00 2.33 H new ATOM 0 HH11 ARG A 74 -0.463 -9.983 16.322 1.00 51.44 H new ATOM 0 HH12 ARG A 74 -1.190 -10.470 17.857 1.00 51.44 H new ATOM 0 HH21 ARG A 74 -0.350 -7.523 19.482 1.00 2.33 H new ATOM 0 HH22 ARG A 74 -1.127 -9.104 19.607 1.00 2.33 H new ATOM 1162 N GLY A 75 1.940 -5.347 10.858 1.00 64.30 N ATOM 1163 CA GLY A 75 2.764 -5.009 9.695 1.00 32.53 C ATOM 1164 C GLY A 75 3.624 -3.773 9.956 1.00 50.25 C ATOM 1165 O GLY A 75 3.303 -2.954 10.831 1.00 63.10 O ATOM 0 H GLY A 75 1.570 -4.532 11.347 1.00 64.30 H new ATOM 0 HA2 GLY A 75 3.406 -5.854 9.445 1.00 32.53 H new ATOM 0 HA3 GLY A 75 2.122 -4.831 8.833 1.00 32.53 H new ATOM 1169 N TRP A 76 4.718 -3.631 9.194 1.00 44.32 N ATOM 1170 CA TRP A 76 5.655 -2.494 9.315 1.00 41.45 C ATOM 1171 C TRP A 76 6.061 -1.962 7.920 1.00 12.41 C ATOM 1172 O TRP A 76 6.037 -2.690 6.930 1.00 30.14 O ATOM 1173 CB TRP A 76 6.916 -2.917 10.132 1.00 70.13 C ATOM 1174 CG TRP A 76 7.750 -4.019 9.498 1.00 41.11 C ATOM 1175 CD1 TRP A 76 7.616 -5.369 9.679 1.00 32.12 C ATOM 1176 CD2 TRP A 76 8.842 -3.854 8.575 1.00 74.32 C ATOM 1177 NE1 TRP A 76 8.539 -6.045 8.923 1.00 23.33 N ATOM 1178 CE2 TRP A 76 9.304 -5.138 8.241 1.00 54.31 C ATOM 1179 CE3 TRP A 76 9.468 -2.741 8.003 1.00 52.41 C ATOM 1180 CZ2 TRP A 76 10.355 -5.338 7.354 1.00 3.10 C ATOM 1181 CZ3 TRP A 76 10.509 -2.940 7.124 1.00 65.42 C ATOM 1182 CH2 TRP A 76 10.946 -4.230 6.808 1.00 50.33 C ATOM 0 H TRP A 76 4.983 -4.302 8.472 1.00 44.32 H new ATOM 0 HA TRP A 76 5.150 -1.688 9.847 1.00 41.45 H new ATOM 0 HB2 TRP A 76 7.548 -2.041 10.277 1.00 70.13 H new ATOM 0 HB3 TRP A 76 6.597 -3.246 11.121 1.00 70.13 H new ATOM 0 HD1 TRP A 76 6.887 -5.835 10.325 1.00 32.12 H new ATOM 0 HE1 TRP A 76 8.639 -7.059 8.877 1.00 23.33 H new ATOM 0 HE3 TRP A 76 9.140 -1.741 8.247 1.00 52.41 H new ATOM 0 HZ2 TRP A 76 10.694 -6.333 7.104 1.00 3.10 H new ATOM 0 HZ3 TRP A 76 10.995 -2.088 6.672 1.00 65.42 H new ATOM 0 HH2 TRP A 76 11.768 -4.355 6.118 1.00 50.33 H new ATOM 1193 N TRP A 77 6.456 -0.682 7.871 1.00 32.21 N ATOM 1194 CA TRP A 77 6.966 -0.015 6.652 1.00 51.11 C ATOM 1195 C TRP A 77 8.350 0.610 6.889 1.00 30.22 C ATOM 1196 O TRP A 77 8.840 0.664 8.021 1.00 15.33 O ATOM 1197 CB TRP A 77 5.991 1.105 6.194 1.00 43.32 C ATOM 1198 CG TRP A 77 4.798 0.674 5.378 1.00 32.53 C ATOM 1199 CD1 TRP A 77 4.428 -0.587 4.992 1.00 13.55 C ATOM 1200 CD2 TRP A 77 3.835 1.559 4.817 1.00 23.24 C ATOM 1201 NE1 TRP A 77 3.294 -0.524 4.225 1.00 44.52 N ATOM 1202 CE2 TRP A 77 2.915 0.787 4.107 1.00 61.32 C ATOM 1203 CE3 TRP A 77 3.676 2.941 4.849 1.00 13.51 C ATOM 1204 CZ2 TRP A 77 1.845 1.358 3.436 1.00 14.41 C ATOM 1205 CZ3 TRP A 77 2.616 3.506 4.182 1.00 55.31 C ATOM 1206 CH2 TRP A 77 1.714 2.713 3.479 1.00 4.20 C ATOM 0 H TRP A 77 6.432 -0.068 8.685 1.00 32.21 H new ATOM 0 HA TRP A 77 7.047 -0.780 5.880 1.00 51.11 H new ATOM 0 HB2 TRP A 77 5.627 1.623 7.081 1.00 43.32 H new ATOM 0 HB3 TRP A 77 6.557 1.831 5.611 1.00 43.32 H new ATOM 0 HD1 TRP A 77 4.951 -1.495 5.253 1.00 13.55 H new ATOM 0 HE1 TRP A 77 2.812 -1.322 3.810 1.00 44.52 H new ATOM 0 HE3 TRP A 77 4.376 3.561 5.390 1.00 13.51 H new ATOM 0 HZ2 TRP A 77 1.137 0.747 2.896 1.00 14.41 H new ATOM 0 HZ3 TRP A 77 2.481 4.577 4.204 1.00 55.31 H new ATOM 0 HH2 TRP A 77 0.893 3.182 2.957 1.00 4.20 H new ATOM 1217 N GLN A 78 8.961 1.074 5.786 1.00 30.02 N ATOM 1218 CA GLN A 78 10.112 1.990 5.815 1.00 60.51 C ATOM 1219 C GLN A 78 10.142 2.830 4.517 1.00 71.12 C ATOM 1220 O GLN A 78 10.425 2.311 3.437 1.00 14.24 O ATOM 1221 CB GLN A 78 11.451 1.232 6.019 1.00 1.44 C ATOM 1222 CG GLN A 78 12.675 2.169 6.178 1.00 1.35 C ATOM 1223 CD GLN A 78 13.961 1.450 6.586 1.00 32.24 C ATOM 1224 OE1 GLN A 78 14.175 0.286 6.258 1.00 22.14 O ATOM 1225 NE2 GLN A 78 14.833 2.146 7.292 1.00 60.13 N ATOM 0 H GLN A 78 8.667 0.822 4.842 1.00 30.02 H new ATOM 0 HA GLN A 78 9.995 2.657 6.669 1.00 60.51 H new ATOM 0 HB2 GLN A 78 11.370 0.600 6.903 1.00 1.44 H new ATOM 0 HB3 GLN A 78 11.618 0.571 5.169 1.00 1.44 H new ATOM 0 HG2 GLN A 78 12.846 2.690 5.236 1.00 1.35 H new ATOM 0 HG3 GLN A 78 12.443 2.929 6.925 1.00 1.35 H new ATOM 0 HE21 GLN A 78 14.627 3.111 7.549 1.00 60.13 H new ATOM 0 HE22 GLN A 78 15.713 1.718 7.580 1.00 60.13 H new ATOM 1234 N PHE A 79 9.803 4.126 4.645 1.00 73.42 N ATOM 1235 CA PHE A 79 9.829 5.102 3.535 1.00 12.43 C ATOM 1236 C PHE A 79 11.286 5.410 3.112 1.00 13.22 C ATOM 1237 O PHE A 79 12.127 5.707 3.964 1.00 43.21 O ATOM 1238 CB PHE A 79 9.126 6.420 3.955 1.00 60.53 C ATOM 1239 CG PHE A 79 7.707 6.254 4.495 1.00 72.42 C ATOM 1240 CD1 PHE A 79 6.610 6.240 3.637 1.00 31.53 C ATOM 1241 CD2 PHE A 79 7.471 6.126 5.867 1.00 44.10 C ATOM 1242 CE1 PHE A 79 5.330 6.102 4.127 1.00 61.54 C ATOM 1243 CE2 PHE A 79 6.189 5.989 6.357 1.00 21.15 C ATOM 1244 CZ PHE A 79 5.119 5.981 5.489 1.00 3.40 C ATOM 0 H PHE A 79 9.500 4.531 5.531 1.00 73.42 H new ATOM 0 HA PHE A 79 9.298 4.664 2.690 1.00 12.43 H new ATOM 0 HB2 PHE A 79 9.733 6.911 4.716 1.00 60.53 H new ATOM 0 HB3 PHE A 79 9.095 7.087 3.094 1.00 60.53 H new ATOM 0 HD1 PHE A 79 6.765 6.339 2.573 1.00 31.53 H new ATOM 0 HD2 PHE A 79 8.305 6.135 6.553 1.00 44.10 H new ATOM 0 HE1 PHE A 79 4.491 6.088 3.448 1.00 61.54 H new ATOM 0 HE2 PHE A 79 6.024 5.888 7.420 1.00 21.15 H new ATOM 0 HZ PHE A 79 4.114 5.880 5.872 1.00 3.40 H new ATOM 1254 N THR A 80 11.575 5.332 1.802 1.00 30.30 N ATOM 1255 CA THR A 80 12.922 5.623 1.247 1.00 13.52 C ATOM 1256 C THR A 80 12.951 6.982 0.509 1.00 24.35 C ATOM 1257 O THR A 80 13.872 7.778 0.696 1.00 61.32 O ATOM 1258 CB THR A 80 13.393 4.501 0.255 1.00 4.33 C ATOM 1259 OG1 THR A 80 12.581 4.508 -0.936 1.00 51.30 O ATOM 1260 CG2 THR A 80 13.325 3.103 0.897 1.00 50.21 C ATOM 0 H THR A 80 10.889 5.067 1.095 1.00 30.30 H new ATOM 0 HA THR A 80 13.602 5.660 2.098 1.00 13.52 H new ATOM 0 HB THR A 80 14.431 4.716 0.001 1.00 4.33 H new ATOM 0 HG1 THR A 80 12.982 3.919 -1.609 1.00 51.30 H new ATOM 0 HG21 THR A 80 13.659 2.356 0.177 1.00 50.21 H new ATOM 0 HG22 THR A 80 13.969 3.074 1.776 1.00 50.21 H new ATOM 0 HG23 THR A 80 12.298 2.888 1.193 1.00 50.21 H new ATOM 1268 N THR A 81 11.921 7.244 -0.320 1.00 34.44 N ATOM 1269 CA THR A 81 11.898 8.410 -1.240 1.00 20.11 C ATOM 1270 C THR A 81 10.504 9.067 -1.269 1.00 24.22 C ATOM 1271 O THR A 81 9.549 8.504 -1.812 1.00 2.22 O ATOM 1272 CB THR A 81 12.313 7.989 -2.694 1.00 24.33 C ATOM 1273 OG1 THR A 81 13.656 7.473 -2.693 1.00 45.33 O ATOM 1274 CG2 THR A 81 12.207 9.150 -3.712 1.00 44.11 C ATOM 0 H THR A 81 11.086 6.661 -0.375 1.00 34.44 H new ATOM 0 HA THR A 81 12.620 9.135 -0.863 1.00 20.11 H new ATOM 0 HB THR A 81 11.611 7.217 -3.009 1.00 24.33 H new ATOM 0 HG1 THR A 81 13.906 7.211 -3.604 1.00 45.33 H new ATOM 0 HG21 THR A 81 12.507 8.797 -4.699 1.00 44.11 H new ATOM 0 HG22 THR A 81 11.178 9.506 -3.751 1.00 44.11 H new ATOM 0 HG23 THR A 81 12.862 9.965 -3.404 1.00 44.11 H new ATOM 1282 N ILE A 82 10.395 10.257 -0.661 1.00 53.30 N ATOM 1283 CA ILE A 82 9.167 11.080 -0.682 1.00 5.52 C ATOM 1284 C ILE A 82 9.499 12.474 -1.258 1.00 63.41 C ATOM 1285 O ILE A 82 10.302 13.206 -0.679 1.00 63.22 O ATOM 1286 CB ILE A 82 8.541 11.235 0.759 1.00 11.50 C ATOM 1287 CG1 ILE A 82 8.330 9.833 1.412 1.00 52.13 C ATOM 1288 CG2 ILE A 82 7.213 12.039 0.709 1.00 55.13 C ATOM 1289 CD1 ILE A 82 7.653 9.841 2.765 1.00 62.42 C ATOM 0 H ILE A 82 11.159 10.682 -0.136 1.00 53.30 H new ATOM 0 HA ILE A 82 8.432 10.577 -1.310 1.00 5.52 H new ATOM 0 HB ILE A 82 9.239 11.798 1.378 1.00 11.50 H new ATOM 0 HG12 ILE A 82 7.738 9.220 0.732 1.00 52.13 H new ATOM 0 HG13 ILE A 82 9.301 9.349 1.514 1.00 52.13 H new ATOM 0 HG21 ILE A 82 6.805 12.130 1.716 1.00 55.13 H new ATOM 0 HG22 ILE A 82 7.404 13.033 0.304 1.00 55.13 H new ATOM 0 HG23 ILE A 82 6.497 11.519 0.072 1.00 55.13 H new ATOM 0 HD11 ILE A 82 7.555 8.818 3.129 1.00 62.42 H new ATOM 0 HD12 ILE A 82 8.251 10.421 3.468 1.00 62.42 H new ATOM 0 HD13 ILE A 82 6.664 10.290 2.674 1.00 62.42 H new ATOM 1301 N GLU A 83 8.911 12.812 -2.417 1.00 71.25 N ATOM 1302 CA GLU A 83 9.084 14.148 -3.050 1.00 0.01 C ATOM 1303 C GLU A 83 7.822 15.024 -2.888 1.00 62.44 C ATOM 1304 O GLU A 83 7.937 16.241 -2.691 1.00 63.52 O ATOM 1305 CB GLU A 83 9.452 13.999 -4.549 1.00 13.53 C ATOM 1306 CG GLU A 83 10.738 13.183 -4.802 1.00 1.32 C ATOM 1307 CD GLU A 83 11.243 13.277 -6.253 1.00 63.33 C ATOM 1308 OE1 GLU A 83 10.578 12.740 -7.159 1.00 63.42 O ATOM 1309 OE2 GLU A 83 12.312 13.889 -6.492 1.00 61.41 O ATOM 0 H GLU A 83 8.307 12.181 -2.944 1.00 71.25 H new ATOM 0 HA GLU A 83 9.903 14.650 -2.536 1.00 0.01 H new ATOM 0 HB2 GLU A 83 8.622 13.521 -5.070 1.00 13.53 H new ATOM 0 HB3 GLU A 83 9.572 14.991 -4.983 1.00 13.53 H new ATOM 0 HG2 GLU A 83 11.521 13.533 -4.129 1.00 1.32 H new ATOM 0 HG3 GLU A 83 10.551 12.138 -4.557 1.00 1.32 H new ATOM 1316 N ALA A 84 6.635 14.383 -2.994 1.00 62.53 N ATOM 1317 CA ALA A 84 5.307 15.030 -2.824 1.00 73.42 C ATOM 1318 C ALA A 84 4.963 16.059 -3.954 1.00 13.13 C ATOM 1319 O ALA A 84 5.842 16.777 -4.434 1.00 1.42 O ATOM 1320 CB ALA A 84 5.168 15.669 -1.420 1.00 11.23 C ATOM 0 H ALA A 84 6.569 13.387 -3.203 1.00 62.53 H new ATOM 0 HA ALA A 84 4.571 14.231 -2.913 1.00 73.42 H new ATOM 0 HB1 ALA A 84 4.186 16.134 -1.327 1.00 11.23 H new ATOM 0 HB2 ALA A 84 5.278 14.898 -0.657 1.00 11.23 H new ATOM 0 HB3 ALA A 84 5.941 16.425 -1.286 1.00 11.23 H new ATOM 1326 N PRO A 85 3.671 16.152 -4.413 1.00 50.22 N ATOM 1327 CA PRO A 85 2.541 15.298 -3.959 1.00 54.11 C ATOM 1328 C PRO A 85 2.320 14.047 -4.850 1.00 4.12 C ATOM 1329 O PRO A 85 1.241 13.463 -4.843 1.00 34.01 O ATOM 1330 CB PRO A 85 1.361 16.286 -4.069 1.00 22.52 C ATOM 1331 CG PRO A 85 1.676 17.116 -5.291 1.00 54.02 C ATOM 1332 CD PRO A 85 3.203 17.145 -5.420 1.00 54.34 C ATOM 0 HA PRO A 85 2.695 14.872 -2.967 1.00 54.11 H new ATOM 0 HB2 PRO A 85 0.412 15.761 -4.180 1.00 22.52 H new ATOM 0 HB3 PRO A 85 1.279 16.907 -3.177 1.00 22.52 H new ATOM 0 HG2 PRO A 85 1.220 16.683 -6.181 1.00 54.02 H new ATOM 0 HG3 PRO A 85 1.277 18.125 -5.187 1.00 54.02 H new ATOM 0 HD2 PRO A 85 3.523 16.874 -6.426 1.00 54.34 H new ATOM 0 HD3 PRO A 85 3.602 18.139 -5.215 1.00 54.34 H new ATOM 1340 N ASP A 86 3.362 13.628 -5.582 1.00 72.22 N ATOM 1341 CA ASP A 86 3.260 12.571 -6.612 1.00 73.14 C ATOM 1342 C ASP A 86 4.092 11.307 -6.259 1.00 44.10 C ATOM 1343 O ASP A 86 3.555 10.200 -6.198 1.00 53.11 O ATOM 1344 CB ASP A 86 3.668 13.171 -7.993 1.00 12.15 C ATOM 1345 CG ASP A 86 5.110 13.714 -8.051 1.00 74.31 C ATOM 1346 OD1 ASP A 86 5.454 14.604 -7.246 1.00 71.42 O ATOM 1347 OD2 ASP A 86 5.904 13.255 -8.900 1.00 73.21 O ATOM 0 H ASP A 86 4.302 14.010 -5.480 1.00 72.22 H new ATOM 0 HA ASP A 86 2.226 12.230 -6.658 1.00 73.14 H new ATOM 0 HB2 ASP A 86 3.551 12.403 -8.758 1.00 12.15 H new ATOM 0 HB3 ASP A 86 2.979 13.978 -8.243 1.00 12.15 H new ATOM 1352 N HIS A 87 5.402 11.486 -6.007 1.00 72.14 N ATOM 1353 CA HIS A 87 6.357 10.366 -5.848 1.00 70.12 C ATOM 1354 C HIS A 87 6.477 9.931 -4.361 1.00 64.24 C ATOM 1355 O HIS A 87 6.891 10.712 -3.496 1.00 1.02 O ATOM 1356 CB HIS A 87 7.743 10.777 -6.421 1.00 60.33 C ATOM 1357 CG HIS A 87 8.751 9.655 -6.592 1.00 74.24 C ATOM 1358 ND1 HIS A 87 9.990 9.853 -7.169 1.00 73.51 N ATOM 1359 CD2 HIS A 87 8.707 8.329 -6.281 1.00 23.14 C ATOM 1360 CE1 HIS A 87 10.652 8.720 -7.206 1.00 50.34 C ATOM 1361 NE2 HIS A 87 9.900 7.783 -6.676 1.00 5.43 N ATOM 0 H HIS A 87 5.830 12.406 -5.908 1.00 72.14 H new ATOM 0 HA HIS A 87 5.982 9.508 -6.405 1.00 70.12 H new ATOM 0 HB2 HIS A 87 7.587 11.250 -7.391 1.00 60.33 H new ATOM 0 HB3 HIS A 87 8.176 11.531 -5.764 1.00 60.33 H new ATOM 0 HD1 HIS A 87 10.339 10.747 -7.515 1.00 73.51 H new ATOM 0 HD2 HIS A 87 7.886 7.807 -5.812 1.00 23.14 H new ATOM 0 HE1 HIS A 87 11.646 8.582 -7.605 1.00 50.34 H new ATOM 0 HE2 HIS A 87 10.163 6.803 -6.574 1.00 5.43 H new ATOM 1370 N LEU A 88 6.123 8.663 -4.113 1.00 41.25 N ATOM 1371 CA LEU A 88 6.253 7.988 -2.809 1.00 35.12 C ATOM 1372 C LEU A 88 6.929 6.618 -3.014 1.00 13.03 C ATOM 1373 O LEU A 88 6.628 5.910 -3.975 1.00 74.51 O ATOM 1374 CB LEU A 88 4.852 7.811 -2.160 1.00 64.42 C ATOM 1375 CG LEU A 88 4.780 7.022 -0.812 1.00 2.41 C ATOM 1376 CD1 LEU A 88 5.705 7.629 0.258 1.00 72.03 C ATOM 1377 CD2 LEU A 88 3.328 6.942 -0.301 1.00 43.41 C ATOM 0 H LEU A 88 5.727 8.059 -4.833 1.00 41.25 H new ATOM 0 HA LEU A 88 6.866 8.594 -2.142 1.00 35.12 H new ATOM 0 HB2 LEU A 88 4.430 8.802 -1.994 1.00 64.42 H new ATOM 0 HB3 LEU A 88 4.208 7.307 -2.881 1.00 64.42 H new ATOM 0 HG LEU A 88 5.133 6.010 -1.009 1.00 2.41 H new ATOM 0 HD11 LEU A 88 5.625 7.051 1.179 1.00 72.03 H new ATOM 0 HD12 LEU A 88 6.736 7.606 -0.096 1.00 72.03 H new ATOM 0 HD13 LEU A 88 5.411 8.661 0.450 1.00 72.03 H new ATOM 0 HD21 LEU A 88 3.303 6.389 0.638 1.00 43.41 H new ATOM 0 HD22 LEU A 88 2.943 7.949 -0.139 1.00 43.41 H new ATOM 0 HD23 LEU A 88 2.710 6.432 -1.040 1.00 43.41 H new ATOM 1389 N GLU A 89 7.874 6.278 -2.127 1.00 41.04 N ATOM 1390 CA GLU A 89 8.519 4.951 -2.074 1.00 44.31 C ATOM 1391 C GLU A 89 8.634 4.485 -0.609 1.00 65.11 C ATOM 1392 O GLU A 89 9.057 5.253 0.262 1.00 11.20 O ATOM 1393 CB GLU A 89 9.927 4.978 -2.742 1.00 33.11 C ATOM 1394 CG GLU A 89 9.921 5.113 -4.279 1.00 20.02 C ATOM 1395 CD GLU A 89 11.319 5.000 -4.925 1.00 30.43 C ATOM 1396 OE1 GLU A 89 11.878 3.884 -4.951 1.00 11.24 O ATOM 1397 OE2 GLU A 89 11.864 6.017 -5.397 1.00 44.53 O ATOM 0 H GLU A 89 8.219 6.922 -1.415 1.00 41.04 H new ATOM 0 HA GLU A 89 7.899 4.248 -2.630 1.00 44.31 H new ATOM 0 HB2 GLU A 89 10.495 5.808 -2.322 1.00 33.11 H new ATOM 0 HB3 GLU A 89 10.456 4.063 -2.475 1.00 33.11 H new ATOM 0 HG2 GLU A 89 9.275 4.342 -4.699 1.00 20.02 H new ATOM 0 HG3 GLU A 89 9.485 6.075 -4.547 1.00 20.02 H new ATOM 1404 N PHE A 90 8.245 3.225 -0.362 1.00 41.52 N ATOM 1405 CA PHE A 90 8.335 2.564 0.960 1.00 13.11 C ATOM 1406 C PHE A 90 8.475 1.037 0.795 1.00 31.22 C ATOM 1407 O PHE A 90 8.421 0.523 -0.317 1.00 11.14 O ATOM 1408 CB PHE A 90 7.109 2.916 1.867 1.00 33.04 C ATOM 1409 CG PHE A 90 5.740 2.579 1.270 1.00 42.01 C ATOM 1410 CD1 PHE A 90 5.247 1.273 1.274 1.00 13.04 C ATOM 1411 CD2 PHE A 90 4.948 3.573 0.700 1.00 24.15 C ATOM 1412 CE1 PHE A 90 4.016 0.980 0.727 1.00 15.44 C ATOM 1413 CE2 PHE A 90 3.718 3.273 0.156 1.00 61.44 C ATOM 1414 CZ PHE A 90 3.254 1.977 0.168 1.00 42.35 C ATOM 0 H PHE A 90 7.851 2.622 -1.084 1.00 41.52 H new ATOM 0 HA PHE A 90 9.228 2.942 1.458 1.00 13.11 H new ATOM 0 HB2 PHE A 90 7.215 2.388 2.815 1.00 33.04 H new ATOM 0 HB3 PHE A 90 7.137 3.982 2.092 1.00 33.04 H new ATOM 0 HD1 PHE A 90 5.838 0.482 1.711 1.00 13.04 H new ATOM 0 HD2 PHE A 90 5.303 4.593 0.684 1.00 24.15 H new ATOM 0 HE1 PHE A 90 3.650 -0.036 0.738 1.00 15.44 H new ATOM 0 HE2 PHE A 90 3.117 4.057 -0.281 1.00 61.44 H new ATOM 0 HZ PHE A 90 2.291 1.744 -0.262 1.00 42.35 H new ATOM 1424 N ASP A 91 8.661 0.332 1.914 1.00 51.11 N ATOM 1425 CA ASP A 91 8.802 -1.141 1.941 1.00 32.01 C ATOM 1426 C ASP A 91 7.660 -1.795 2.750 1.00 34.11 C ATOM 1427 O ASP A 91 7.597 -1.622 3.969 1.00 35.14 O ATOM 1428 CB ASP A 91 10.170 -1.506 2.568 1.00 32.11 C ATOM 1429 CG ASP A 91 11.354 -1.031 1.715 1.00 3.20 C ATOM 1430 OD1 ASP A 91 11.683 0.171 1.753 1.00 21.31 O ATOM 1431 OD2 ASP A 91 11.943 -1.845 0.973 1.00 63.23 O ATOM 0 H ASP A 91 8.720 0.762 2.837 1.00 51.11 H new ATOM 0 HA ASP A 91 8.747 -1.518 0.920 1.00 32.01 H new ATOM 0 HB2 ASP A 91 10.241 -1.062 3.561 1.00 32.11 H new ATOM 0 HB3 ASP A 91 10.230 -2.587 2.697 1.00 32.11 H new ATOM 1436 N ASP A 92 6.758 -2.534 2.068 1.00 34.12 N ATOM 1437 CA ASP A 92 5.753 -3.381 2.746 1.00 14.03 C ATOM 1438 C ASP A 92 6.439 -4.612 3.385 1.00 71.32 C ATOM 1439 O ASP A 92 6.919 -5.510 2.679 1.00 1.31 O ATOM 1440 CB ASP A 92 4.648 -3.862 1.769 1.00 52.15 C ATOM 1441 CG ASP A 92 3.901 -2.707 1.099 1.00 24.03 C ATOM 1442 OD1 ASP A 92 2.945 -2.161 1.706 1.00 41.34 O ATOM 1443 OD2 ASP A 92 4.276 -2.339 -0.034 1.00 42.41 O ATOM 0 H ASP A 92 6.706 -2.561 1.050 1.00 34.12 H new ATOM 0 HA ASP A 92 5.283 -2.772 3.518 1.00 14.03 H new ATOM 0 HB2 ASP A 92 5.098 -4.491 1.001 1.00 52.15 H new ATOM 0 HB3 ASP A 92 3.935 -4.483 2.312 1.00 52.15 H new ATOM 1448 N GLY A 93 6.522 -4.615 4.715 1.00 65.12 N ATOM 1449 CA GLY A 93 6.991 -5.771 5.478 1.00 62.55 C ATOM 1450 C GLY A 93 5.921 -6.261 6.448 1.00 53.31 C ATOM 1451 O GLY A 93 5.098 -5.473 6.918 1.00 30.14 O ATOM 0 H GLY A 93 6.266 -3.815 5.294 1.00 65.12 H new ATOM 0 HA2 GLY A 93 7.262 -6.576 4.795 1.00 62.55 H new ATOM 0 HA3 GLY A 93 7.892 -5.504 6.030 1.00 62.55 H new ATOM 1455 N PHE A 94 5.908 -7.563 6.745 1.00 30.53 N ATOM 1456 CA PHE A 94 4.977 -8.152 7.731 1.00 30.10 C ATOM 1457 C PHE A 94 5.697 -8.402 9.061 1.00 44.20 C ATOM 1458 O PHE A 94 6.870 -8.792 9.083 1.00 75.22 O ATOM 1459 CB PHE A 94 4.338 -9.451 7.171 1.00 41.40 C ATOM 1460 CG PHE A 94 3.268 -9.168 6.118 1.00 1.23 C ATOM 1461 CD1 PHE A 94 3.614 -8.871 4.800 1.00 43.02 C ATOM 1462 CD2 PHE A 94 1.915 -9.163 6.463 1.00 72.54 C ATOM 1463 CE1 PHE A 94 2.643 -8.574 3.865 1.00 51.20 C ATOM 1464 CE2 PHE A 94 0.946 -8.875 5.523 1.00 73.14 C ATOM 1465 CZ PHE A 94 1.309 -8.579 4.226 1.00 54.32 C ATOM 0 H PHE A 94 6.536 -8.242 6.315 1.00 30.53 H new ATOM 0 HA PHE A 94 4.169 -7.445 7.919 1.00 30.10 H new ATOM 0 HB2 PHE A 94 5.117 -10.076 6.734 1.00 41.40 H new ATOM 0 HB3 PHE A 94 3.896 -10.018 7.991 1.00 41.40 H new ATOM 0 HD1 PHE A 94 4.654 -8.873 4.508 1.00 43.02 H new ATOM 0 HD2 PHE A 94 1.623 -9.387 7.478 1.00 72.54 H new ATOM 0 HE1 PHE A 94 2.926 -8.337 2.850 1.00 51.20 H new ATOM 0 HE2 PHE A 94 -0.097 -8.882 5.803 1.00 73.14 H new ATOM 0 HZ PHE A 94 0.550 -8.351 3.492 1.00 54.32 H new ATOM 1475 N ALA A 95 4.987 -8.143 10.163 1.00 62.34 N ATOM 1476 CA ALA A 95 5.517 -8.273 11.527 1.00 33.44 C ATOM 1477 C ALA A 95 4.784 -9.384 12.303 1.00 65.34 C ATOM 1478 O ALA A 95 3.597 -9.652 12.078 1.00 5.13 O ATOM 1479 CB ALA A 95 5.402 -6.921 12.256 1.00 1.11 C ATOM 0 H ALA A 95 4.016 -7.833 10.134 1.00 62.34 H new ATOM 0 HA ALA A 95 6.568 -8.556 11.471 1.00 33.44 H new ATOM 0 HB1 ALA A 95 5.795 -7.019 13.268 1.00 1.11 H new ATOM 0 HB2 ALA A 95 5.974 -6.166 11.716 1.00 1.11 H new ATOM 0 HB3 ALA A 95 4.355 -6.620 12.301 1.00 1.11 H new ATOM 1485 N ASP A 96 5.526 -10.014 13.216 1.00 73.23 N ATOM 1486 CA ASP A 96 5.035 -11.064 14.126 1.00 34.44 C ATOM 1487 C ASP A 96 4.106 -10.450 15.219 1.00 3.23 C ATOM 1488 O ASP A 96 3.946 -9.227 15.284 1.00 12.21 O ATOM 1489 CB ASP A 96 6.290 -11.762 14.724 1.00 1.23 C ATOM 1490 CG ASP A 96 5.999 -12.786 15.826 1.00 74.24 C ATOM 1491 OD1 ASP A 96 5.401 -13.839 15.533 1.00 52.43 O ATOM 1492 OD2 ASP A 96 6.332 -12.519 16.999 1.00 41.14 O ATOM 0 H ASP A 96 6.515 -9.805 13.351 1.00 73.23 H new ATOM 0 HA ASP A 96 4.425 -11.800 13.602 1.00 34.44 H new ATOM 0 HB2 ASP A 96 6.828 -12.261 13.918 1.00 1.23 H new ATOM 0 HB3 ASP A 96 6.955 -10.998 15.126 1.00 1.23 H new ATOM 1497 N GLU A 97 3.494 -11.297 16.073 1.00 34.54 N ATOM 1498 CA GLU A 97 2.667 -10.839 17.215 1.00 12.34 C ATOM 1499 C GLU A 97 3.463 -9.922 18.201 1.00 72.22 C ATOM 1500 O GLU A 97 2.876 -9.078 18.889 1.00 64.11 O ATOM 1501 CB GLU A 97 2.073 -12.062 17.963 1.00 4.41 C ATOM 1502 CG GLU A 97 3.120 -12.955 18.660 1.00 30.14 C ATOM 1503 CD GLU A 97 2.510 -14.115 19.456 1.00 13.43 C ATOM 1504 OE1 GLU A 97 1.791 -13.845 20.443 1.00 63.43 O ATOM 1505 OE2 GLU A 97 2.748 -15.292 19.115 1.00 44.41 O ATOM 0 H GLU A 97 3.557 -12.312 15.993 1.00 34.54 H new ATOM 0 HA GLU A 97 1.856 -10.234 16.810 1.00 12.34 H new ATOM 0 HB2 GLU A 97 1.363 -11.706 18.709 1.00 4.41 H new ATOM 0 HB3 GLU A 97 1.511 -12.669 17.253 1.00 4.41 H new ATOM 0 HG2 GLU A 97 3.798 -13.359 17.908 1.00 30.14 H new ATOM 0 HG3 GLU A 97 3.719 -12.340 19.332 1.00 30.14 H new ATOM 1512 N HIS A 98 4.805 -10.100 18.243 1.00 50.34 N ATOM 1513 CA HIS A 98 5.724 -9.266 19.064 1.00 53.20 C ATOM 1514 C HIS A 98 6.408 -8.156 18.217 1.00 13.12 C ATOM 1515 O HIS A 98 7.229 -7.386 18.734 1.00 53.02 O ATOM 1516 CB HIS A 98 6.803 -10.162 19.733 1.00 71.32 C ATOM 1517 CG HIS A 98 6.250 -11.356 20.460 1.00 3.10 C ATOM 1518 ND1 HIS A 98 5.489 -11.262 21.602 1.00 42.31 N ATOM 1519 CD2 HIS A 98 6.330 -12.680 20.182 1.00 43.51 C ATOM 1520 CE1 HIS A 98 5.127 -12.467 21.992 1.00 63.00 C ATOM 1521 NE2 HIS A 98 5.625 -13.344 21.151 1.00 71.35 N ATOM 0 H HIS A 98 5.284 -10.825 17.709 1.00 50.34 H new ATOM 0 HA HIS A 98 5.127 -8.777 19.834 1.00 53.20 H new ATOM 0 HB2 HIS A 98 7.498 -10.507 18.967 1.00 71.32 H new ATOM 0 HB3 HIS A 98 7.377 -9.557 20.435 1.00 71.32 H new ATOM 0 HD2 HIS A 98 6.853 -13.129 19.350 1.00 43.51 H new ATOM 0 HE1 HIS A 98 4.523 -12.695 22.857 1.00 63.00 H new ATOM 0 HE2 HIS A 98 5.506 -14.355 21.210 1.00 71.35 H new ATOM 1530 N GLY A 99 6.068 -8.089 16.913 1.00 54.12 N ATOM 1531 CA GLY A 99 6.600 -7.057 16.001 1.00 10.15 C ATOM 1532 C GLY A 99 7.893 -7.460 15.276 1.00 64.34 C ATOM 1533 O GLY A 99 8.527 -6.617 14.633 1.00 3.44 O ATOM 0 H GLY A 99 5.424 -8.742 16.467 1.00 54.12 H new ATOM 0 HA2 GLY A 99 5.839 -6.819 15.257 1.00 10.15 H new ATOM 0 HA3 GLY A 99 6.785 -6.146 16.570 1.00 10.15 H new ATOM 1537 N ALA A 100 8.281 -8.746 15.372 1.00 52.50 N ATOM 1538 CA ALA A 100 9.510 -9.272 14.724 1.00 44.23 C ATOM 1539 C ALA A 100 9.329 -9.422 13.177 1.00 5.44 C ATOM 1540 O ALA A 100 8.349 -10.022 12.740 1.00 40.53 O ATOM 1541 CB ALA A 100 9.904 -10.618 15.362 1.00 15.05 C ATOM 0 H ALA A 100 7.760 -9.449 15.895 1.00 52.50 H new ATOM 0 HA ALA A 100 10.313 -8.553 14.886 1.00 44.23 H new ATOM 0 HB1 ALA A 100 10.806 -10.998 14.882 1.00 15.05 H new ATOM 0 HB2 ALA A 100 10.092 -10.475 16.426 1.00 15.05 H new ATOM 0 HB3 ALA A 100 9.093 -11.334 15.230 1.00 15.05 H new ATOM 1547 N PRO A 101 10.274 -8.883 12.326 1.00 11.13 N ATOM 1548 CA PRO A 101 10.149 -8.934 10.837 1.00 71.55 C ATOM 1549 C PRO A 101 10.096 -10.390 10.277 1.00 75.24 C ATOM 1550 O PRO A 101 11.084 -11.139 10.332 1.00 21.04 O ATOM 1551 CB PRO A 101 11.406 -8.158 10.335 1.00 51.10 C ATOM 1552 CG PRO A 101 12.375 -8.218 11.485 1.00 54.51 C ATOM 1553 CD PRO A 101 11.520 -8.182 12.738 1.00 72.44 C ATOM 0 HA PRO A 101 9.213 -8.495 10.492 1.00 71.55 H new ATOM 0 HB2 PRO A 101 11.824 -8.618 9.440 1.00 51.10 H new ATOM 0 HB3 PRO A 101 11.159 -7.128 10.078 1.00 51.10 H new ATOM 0 HG2 PRO A 101 12.975 -9.127 11.445 1.00 54.51 H new ATOM 0 HG3 PRO A 101 13.068 -7.377 11.459 1.00 54.51 H new ATOM 0 HD2 PRO A 101 12.008 -8.687 13.572 1.00 72.44 H new ATOM 0 HD3 PRO A 101 11.319 -7.160 13.058 1.00 72.44 H new ATOM 1561 N VAL A 102 8.905 -10.780 9.788 1.00 25.11 N ATOM 1562 CA VAL A 102 8.668 -12.093 9.151 1.00 21.40 C ATOM 1563 C VAL A 102 9.441 -12.190 7.803 1.00 23.32 C ATOM 1564 O VAL A 102 9.010 -11.635 6.787 1.00 23.10 O ATOM 1565 CB VAL A 102 7.123 -12.334 8.925 1.00 51.42 C ATOM 1566 CG1 VAL A 102 6.842 -13.711 8.267 1.00 1.14 C ATOM 1567 CG2 VAL A 102 6.333 -12.180 10.254 1.00 5.30 C ATOM 0 H VAL A 102 8.073 -10.191 9.823 1.00 25.11 H new ATOM 0 HA VAL A 102 9.039 -12.871 9.819 1.00 21.40 H new ATOM 0 HB VAL A 102 6.775 -11.567 8.232 1.00 51.42 H new ATOM 0 HG11 VAL A 102 5.768 -13.836 8.130 1.00 1.14 H new ATOM 0 HG12 VAL A 102 7.340 -13.760 7.299 1.00 1.14 H new ATOM 0 HG13 VAL A 102 7.220 -14.506 8.910 1.00 1.14 H new ATOM 0 HG21 VAL A 102 5.273 -12.351 10.069 1.00 5.30 H new ATOM 0 HG22 VAL A 102 6.697 -12.907 10.980 1.00 5.30 H new ATOM 0 HG23 VAL A 102 6.475 -11.173 10.647 1.00 5.30 H new ATOM 1577 N ASP A 103 10.605 -12.873 7.829 1.00 74.53 N ATOM 1578 CA ASP A 103 11.490 -13.042 6.643 1.00 74.32 C ATOM 1579 C ASP A 103 10.901 -14.044 5.618 1.00 22.11 C ATOM 1580 O ASP A 103 11.317 -14.073 4.454 1.00 20.21 O ATOM 1581 CB ASP A 103 12.913 -13.470 7.087 1.00 40.21 C ATOM 1582 CG ASP A 103 12.926 -14.762 7.922 1.00 2.23 C ATOM 1583 OD1 ASP A 103 12.745 -14.686 9.157 1.00 72.34 O ATOM 1584 OD2 ASP A 103 13.090 -15.859 7.348 1.00 53.24 O ATOM 0 H ASP A 103 10.963 -13.325 8.670 1.00 74.53 H new ATOM 0 HA ASP A 103 11.558 -12.077 6.141 1.00 74.32 H new ATOM 0 HB2 ASP A 103 13.535 -13.610 6.203 1.00 40.21 H new ATOM 0 HB3 ASP A 103 13.362 -12.665 7.669 1.00 40.21 H new ATOM 1589 N GLU A 104 9.946 -14.867 6.082 1.00 30.33 N ATOM 1590 CA GLU A 104 9.139 -15.750 5.221 1.00 62.13 C ATOM 1591 C GLU A 104 8.301 -14.926 4.204 1.00 11.01 C ATOM 1592 O GLU A 104 8.372 -15.146 2.992 1.00 13.34 O ATOM 1593 CB GLU A 104 8.196 -16.602 6.103 1.00 24.52 C ATOM 1594 CG GLU A 104 7.245 -17.522 5.307 1.00 74.21 C ATOM 1595 CD GLU A 104 6.039 -18.001 6.123 1.00 50.22 C ATOM 1596 OE1 GLU A 104 5.207 -17.145 6.500 1.00 40.22 O ATOM 1597 OE2 GLU A 104 5.899 -19.222 6.371 1.00 4.21 O ATOM 0 H GLU A 104 9.710 -14.939 7.072 1.00 30.33 H new ATOM 0 HA GLU A 104 9.813 -16.398 4.661 1.00 62.13 H new ATOM 0 HB2 GLU A 104 8.799 -17.214 6.774 1.00 24.52 H new ATOM 0 HB3 GLU A 104 7.601 -15.936 6.728 1.00 24.52 H new ATOM 0 HG2 GLU A 104 6.889 -16.989 4.425 1.00 74.21 H new ATOM 0 HG3 GLU A 104 7.802 -18.389 4.952 1.00 74.21 H new ATOM 1604 N LEU A 105 7.500 -13.983 4.734 1.00 10.10 N ATOM 1605 CA LEU A 105 6.706 -13.039 3.917 1.00 41.33 C ATOM 1606 C LEU A 105 7.586 -11.877 3.398 1.00 15.22 C ATOM 1607 O LEU A 105 7.124 -11.055 2.599 1.00 10.12 O ATOM 1608 CB LEU A 105 5.507 -12.512 4.744 1.00 43.41 C ATOM 1609 CG LEU A 105 4.488 -13.607 5.202 1.00 51.05 C ATOM 1610 CD1 LEU A 105 3.369 -13.006 6.078 1.00 60.23 C ATOM 1611 CD2 LEU A 105 3.912 -14.371 3.987 1.00 73.32 C ATOM 0 H LEU A 105 7.383 -13.852 5.739 1.00 10.10 H new ATOM 0 HA LEU A 105 6.321 -13.566 3.044 1.00 41.33 H new ATOM 0 HB2 LEU A 105 5.891 -12.002 5.627 1.00 43.41 H new ATOM 0 HB3 LEU A 105 4.975 -11.767 4.151 1.00 43.41 H new ATOM 0 HG LEU A 105 5.027 -14.326 5.819 1.00 51.05 H new ATOM 0 HD11 LEU A 105 2.679 -13.794 6.378 1.00 60.23 H new ATOM 0 HD12 LEU A 105 3.807 -12.550 6.966 1.00 60.23 H new ATOM 0 HD13 LEU A 105 2.829 -12.249 5.510 1.00 60.23 H new ATOM 0 HD21 LEU A 105 3.206 -15.126 4.333 1.00 73.32 H new ATOM 0 HD22 LEU A 105 3.400 -13.671 3.327 1.00 73.32 H new ATOM 0 HD23 LEU A 105 4.724 -14.855 3.443 1.00 73.32 H new ATOM 1623 N GLY A 106 8.834 -11.810 3.909 1.00 51.34 N ATOM 1624 CA GLY A 106 9.895 -10.974 3.342 1.00 12.11 C ATOM 1625 C GLY A 106 9.647 -9.466 3.413 1.00 54.24 C ATOM 1626 O GLY A 106 8.838 -8.980 4.214 1.00 1.21 O ATOM 0 H GLY A 106 9.127 -12.339 4.730 1.00 51.34 H new ATOM 0 HA2 GLY A 106 10.827 -11.197 3.861 1.00 12.11 H new ATOM 0 HA3 GLY A 106 10.037 -11.254 2.298 1.00 12.11 H new ATOM 1630 N VAL A 107 10.394 -8.726 2.582 1.00 74.35 N ATOM 1631 CA VAL A 107 10.252 -7.269 2.414 1.00 62.12 C ATOM 1632 C VAL A 107 10.039 -6.971 0.913 1.00 21.32 C ATOM 1633 O VAL A 107 10.779 -7.488 0.067 1.00 15.04 O ATOM 1634 CB VAL A 107 11.526 -6.499 2.941 1.00 12.13 C ATOM 1635 CG1 VAL A 107 11.326 -4.967 2.862 1.00 41.40 C ATOM 1636 CG2 VAL A 107 11.902 -6.939 4.382 1.00 2.53 C ATOM 0 H VAL A 107 11.127 -9.128 1.997 1.00 74.35 H new ATOM 0 HA VAL A 107 9.398 -6.925 2.998 1.00 62.12 H new ATOM 0 HB VAL A 107 12.359 -6.762 2.289 1.00 12.13 H new ATOM 0 HG11 VAL A 107 12.220 -4.464 3.232 1.00 41.40 H new ATOM 0 HG12 VAL A 107 11.148 -4.676 1.827 1.00 41.40 H new ATOM 0 HG13 VAL A 107 10.470 -4.680 3.472 1.00 41.40 H new ATOM 0 HG21 VAL A 107 12.783 -6.389 4.712 1.00 2.53 H new ATOM 0 HG22 VAL A 107 11.070 -6.730 5.055 1.00 2.53 H new ATOM 0 HG23 VAL A 107 12.117 -8.008 4.392 1.00 2.53 H new ATOM 1646 N THR A 108 9.021 -6.153 0.585 1.00 75.10 N ATOM 1647 CA THR A 108 8.671 -5.824 -0.816 1.00 14.43 C ATOM 1648 C THR A 108 8.440 -4.300 -0.998 1.00 2.02 C ATOM 1649 O THR A 108 7.521 -3.719 -0.418 1.00 31.43 O ATOM 1650 CB THR A 108 7.440 -6.669 -1.308 1.00 3.51 C ATOM 1651 OG1 THR A 108 7.065 -6.297 -2.641 1.00 54.13 O ATOM 1652 CG2 THR A 108 6.217 -6.590 -0.370 1.00 75.22 C ATOM 0 H THR A 108 8.420 -5.703 1.276 1.00 75.10 H new ATOM 0 HA THR A 108 9.519 -6.095 -1.445 1.00 14.43 H new ATOM 0 HB THR A 108 7.772 -7.707 -1.297 1.00 3.51 H new ATOM 0 HG1 THR A 108 6.876 -7.103 -3.165 1.00 54.13 H new ATOM 0 HG21 THR A 108 5.408 -7.198 -0.775 1.00 75.22 H new ATOM 0 HG22 THR A 108 6.491 -6.962 0.617 1.00 75.22 H new ATOM 0 HG23 THR A 108 5.887 -5.554 -0.289 1.00 75.22 H new ATOM 1660 N HIS A 109 9.306 -3.661 -1.812 1.00 11.24 N ATOM 1661 CA HIS A 109 9.363 -2.188 -1.944 1.00 74.42 C ATOM 1662 C HIS A 109 8.295 -1.634 -2.921 1.00 24.33 C ATOM 1663 O HIS A 109 8.443 -1.745 -4.141 1.00 32.04 O ATOM 1664 CB HIS A 109 10.776 -1.757 -2.407 1.00 34.21 C ATOM 1665 CG HIS A 109 10.972 -0.266 -2.431 1.00 63.23 C ATOM 1666 ND1 HIS A 109 11.219 0.455 -1.295 1.00 44.33 N ATOM 1667 CD2 HIS A 109 10.907 0.649 -3.437 1.00 62.23 C ATOM 1668 CE1 HIS A 109 11.291 1.726 -1.587 1.00 21.41 C ATOM 1669 NE2 HIS A 109 11.111 1.875 -2.873 1.00 41.24 N ATOM 0 H HIS A 109 9.985 -4.150 -2.396 1.00 11.24 H new ATOM 0 HA HIS A 109 9.147 -1.768 -0.962 1.00 74.42 H new ATOM 0 HB2 HIS A 109 11.518 -2.202 -1.744 1.00 34.21 H new ATOM 0 HB3 HIS A 109 10.960 -2.156 -3.405 1.00 34.21 H new ATOM 0 HD2 HIS A 109 10.728 0.444 -4.482 1.00 62.23 H new ATOM 0 HE1 HIS A 109 11.470 2.524 -0.881 1.00 21.41 H new ATOM 0 HE2 HIS A 109 11.121 2.763 -3.374 1.00 41.24 H new ATOM 1678 N ALA A 110 7.261 -0.976 -2.373 1.00 44.10 N ATOM 1679 CA ALA A 110 6.194 -0.346 -3.175 1.00 41.14 C ATOM 1680 C ALA A 110 6.574 1.085 -3.596 1.00 34.33 C ATOM 1681 O ALA A 110 7.220 1.821 -2.845 1.00 73.41 O ATOM 1682 CB ALA A 110 4.872 -0.338 -2.417 1.00 3.51 C ATOM 0 H ALA A 110 7.139 -0.865 -1.366 1.00 44.10 H new ATOM 0 HA ALA A 110 6.074 -0.944 -4.078 1.00 41.14 H new ATOM 0 HB1 ALA A 110 4.103 0.132 -3.031 1.00 3.51 H new ATOM 0 HB2 ALA A 110 4.578 -1.362 -2.188 1.00 3.51 H new ATOM 0 HB3 ALA A 110 4.988 0.222 -1.489 1.00 3.51 H new ATOM 1688 N THR A 111 6.163 1.463 -4.812 1.00 14.40 N ATOM 1689 CA THR A 111 6.337 2.826 -5.346 1.00 70.42 C ATOM 1690 C THR A 111 4.954 3.403 -5.695 1.00 54.24 C ATOM 1691 O THR A 111 4.350 2.987 -6.675 1.00 42.40 O ATOM 1692 CB THR A 111 7.242 2.822 -6.632 1.00 75.41 C ATOM 1693 OG1 THR A 111 8.431 2.037 -6.398 1.00 2.03 O ATOM 1694 CG2 THR A 111 7.650 4.247 -7.048 1.00 51.42 C ATOM 0 H THR A 111 5.696 0.829 -5.461 1.00 14.40 H new ATOM 0 HA THR A 111 6.827 3.439 -4.589 1.00 70.42 H new ATOM 0 HB THR A 111 6.657 2.384 -7.441 1.00 75.41 H new ATOM 0 HG1 THR A 111 8.988 2.038 -7.204 1.00 2.03 H new ATOM 0 HG21 THR A 111 8.274 4.201 -7.940 1.00 51.42 H new ATOM 0 HG22 THR A 111 6.756 4.834 -7.260 1.00 51.42 H new ATOM 0 HG23 THR A 111 8.208 4.717 -6.238 1.00 51.42 H new ATOM 1702 N VAL A 112 4.463 4.354 -4.891 1.00 44.35 N ATOM 1703 CA VAL A 112 3.166 5.026 -5.132 1.00 61.05 C ATOM 1704 C VAL A 112 3.390 6.298 -5.964 1.00 42.12 C ATOM 1705 O VAL A 112 4.232 7.129 -5.632 1.00 24.24 O ATOM 1706 CB VAL A 112 2.437 5.386 -3.793 1.00 21.23 C ATOM 1707 CG1 VAL A 112 1.097 6.131 -4.054 1.00 34.41 C ATOM 1708 CG2 VAL A 112 2.221 4.112 -2.944 1.00 71.50 C ATOM 0 H VAL A 112 4.947 4.683 -4.056 1.00 44.35 H new ATOM 0 HA VAL A 112 2.527 4.333 -5.679 1.00 61.05 H new ATOM 0 HB VAL A 112 3.074 6.069 -3.230 1.00 21.23 H new ATOM 0 HG11 VAL A 112 0.619 6.365 -3.103 1.00 34.41 H new ATOM 0 HG12 VAL A 112 1.294 7.055 -4.598 1.00 34.41 H new ATOM 0 HG13 VAL A 112 0.437 5.496 -4.645 1.00 34.41 H new ATOM 0 HG21 VAL A 112 1.714 4.375 -2.016 1.00 71.50 H new ATOM 0 HG22 VAL A 112 1.611 3.402 -3.502 1.00 71.50 H new ATOM 0 HG23 VAL A 112 3.186 3.660 -2.714 1.00 71.50 H new ATOM 1718 N LYS A 113 2.635 6.426 -7.056 1.00 13.21 N ATOM 1719 CA LYS A 113 2.816 7.495 -8.050 1.00 73.41 C ATOM 1720 C LYS A 113 1.472 8.148 -8.420 1.00 52.12 C ATOM 1721 O LYS A 113 0.533 7.456 -8.810 1.00 33.41 O ATOM 1722 CB LYS A 113 3.510 6.882 -9.293 1.00 22.23 C ATOM 1723 CG LYS A 113 5.017 6.584 -9.087 1.00 51.43 C ATOM 1724 CD LYS A 113 5.639 5.727 -10.214 1.00 44.32 C ATOM 1725 CE LYS A 113 5.257 6.213 -11.624 1.00 71.42 C ATOM 1726 NZ LYS A 113 5.502 7.669 -11.811 1.00 52.43 N ATOM 0 H LYS A 113 1.873 5.787 -7.281 1.00 13.21 H new ATOM 0 HA LYS A 113 3.438 8.287 -7.634 1.00 73.41 H new ATOM 0 HB2 LYS A 113 3.000 5.957 -9.562 1.00 22.23 H new ATOM 0 HB3 LYS A 113 3.396 7.565 -10.135 1.00 22.23 H new ATOM 0 HG2 LYS A 113 5.559 7.527 -9.018 1.00 51.43 H new ATOM 0 HG3 LYS A 113 5.150 6.070 -8.135 1.00 51.43 H new ATOM 0 HD2 LYS A 113 6.724 5.739 -10.114 1.00 44.32 H new ATOM 0 HD3 LYS A 113 5.319 4.692 -10.094 1.00 44.32 H new ATOM 0 HE2 LYS A 113 5.828 5.654 -12.365 1.00 71.42 H new ATOM 0 HE3 LYS A 113 4.204 5.999 -11.806 1.00 71.42 H new ATOM 0 HZ1 LYS A 113 5.983 7.826 -12.719 1.00 52.43 H new ATOM 0 HZ2 LYS A 113 4.595 8.177 -11.808 1.00 52.43 H new ATOM 0 HZ3 LYS A 113 6.100 8.023 -11.037 1.00 52.43 H new ATOM 1740 N LEU A 114 1.399 9.490 -8.283 1.00 55.53 N ATOM 1741 CA LEU A 114 0.182 10.280 -8.578 1.00 25.35 C ATOM 1742 C LEU A 114 0.409 11.231 -9.770 1.00 23.52 C ATOM 1743 O LEU A 114 1.245 12.132 -9.704 1.00 65.02 O ATOM 1744 CB LEU A 114 -0.262 11.087 -7.334 1.00 14.23 C ATOM 1745 CG LEU A 114 -0.658 10.250 -6.077 1.00 34.42 C ATOM 1746 CD1 LEU A 114 -1.076 11.164 -4.919 1.00 53.52 C ATOM 1747 CD2 LEU A 114 -1.775 9.244 -6.400 1.00 64.10 C ATOM 0 H LEU A 114 2.184 10.058 -7.964 1.00 55.53 H new ATOM 0 HA LEU A 114 -0.609 9.579 -8.844 1.00 25.35 H new ATOM 0 HB2 LEU A 114 0.548 11.761 -7.056 1.00 14.23 H new ATOM 0 HB3 LEU A 114 -1.112 11.709 -7.614 1.00 14.23 H new ATOM 0 HG LEU A 114 0.222 9.686 -5.770 1.00 34.42 H new ATOM 0 HD11 LEU A 114 -1.347 10.556 -4.056 1.00 53.52 H new ATOM 0 HD12 LEU A 114 -0.246 11.820 -4.655 1.00 53.52 H new ATOM 0 HD13 LEU A 114 -1.932 11.766 -5.222 1.00 53.52 H new ATOM 0 HD21 LEU A 114 -2.026 8.678 -5.503 1.00 64.10 H new ATOM 0 HD22 LEU A 114 -2.657 9.780 -6.750 1.00 64.10 H new ATOM 0 HD23 LEU A 114 -1.435 8.560 -7.177 1.00 64.10 H new ATOM 1759 N GLU A 115 -0.350 11.026 -10.859 1.00 51.54 N ATOM 1760 CA GLU A 115 -0.284 11.874 -12.070 1.00 65.22 C ATOM 1761 C GLU A 115 -1.519 12.806 -12.138 1.00 71.51 C ATOM 1762 O GLU A 115 -2.653 12.325 -12.039 1.00 62.14 O ATOM 1763 CB GLU A 115 -0.210 10.999 -13.356 1.00 12.04 C ATOM 1764 CG GLU A 115 1.092 10.176 -13.525 1.00 43.04 C ATOM 1765 CD GLU A 115 1.273 9.038 -12.497 1.00 21.12 C ATOM 1766 OE1 GLU A 115 0.364 8.186 -12.388 1.00 10.22 O ATOM 1767 OE2 GLU A 115 2.339 8.961 -11.839 1.00 42.32 O ATOM 0 H GLU A 115 -1.029 10.268 -10.929 1.00 51.54 H new ATOM 0 HA GLU A 115 0.620 12.480 -12.012 1.00 65.22 H new ATOM 0 HB2 GLU A 115 -1.057 10.312 -13.357 1.00 12.04 H new ATOM 0 HB3 GLU A 115 -0.325 11.648 -14.224 1.00 12.04 H new ATOM 0 HG2 GLU A 115 1.108 9.748 -14.527 1.00 43.04 H new ATOM 0 HG3 GLU A 115 1.945 10.851 -13.453 1.00 43.04 H new ATOM 1774 N PRO A 116 -1.319 14.160 -12.297 1.00 54.13 N ATOM 1775 CA PRO A 116 -2.439 15.124 -12.436 1.00 24.30 C ATOM 1776 C PRO A 116 -3.203 14.933 -13.766 1.00 42.41 C ATOM 1777 O PRO A 116 -2.738 15.362 -14.829 1.00 52.51 O ATOM 1778 CB PRO A 116 -1.753 16.528 -12.374 1.00 5.00 C ATOM 1779 CG PRO A 116 -0.342 16.266 -11.921 1.00 71.10 C ATOM 1780 CD PRO A 116 -0.007 14.855 -12.353 1.00 22.32 C ATOM 0 HA PRO A 116 -3.189 14.990 -11.656 1.00 24.30 H new ATOM 0 HB2 PRO A 116 -1.768 17.016 -13.349 1.00 5.00 H new ATOM 0 HB3 PRO A 116 -2.272 17.188 -11.679 1.00 5.00 H new ATOM 0 HG2 PRO A 116 0.348 16.982 -12.367 1.00 71.10 H new ATOM 0 HG3 PRO A 116 -0.256 16.371 -10.840 1.00 71.10 H new ATOM 0 HD2 PRO A 116 0.418 14.832 -13.356 1.00 22.32 H new ATOM 0 HD3 PRO A 116 0.722 14.393 -11.687 1.00 22.32 H new ATOM 1788 N LEU A 117 -4.359 14.254 -13.707 1.00 53.42 N ATOM 1789 CA LEU A 117 -5.248 14.087 -14.879 1.00 22.44 C ATOM 1790 C LEU A 117 -6.230 15.277 -14.944 1.00 62.21 C ATOM 1791 O LEU A 117 -7.448 15.098 -14.845 1.00 31.31 O ATOM 1792 CB LEU A 117 -6.005 12.727 -14.794 1.00 21.24 C ATOM 1793 CG LEU A 117 -5.134 11.469 -14.493 1.00 32.10 C ATOM 1794 CD1 LEU A 117 -6.005 10.195 -14.400 1.00 12.12 C ATOM 1795 CD2 LEU A 117 -3.980 11.303 -15.514 1.00 44.01 C ATOM 0 H LEU A 117 -4.706 13.808 -12.858 1.00 53.42 H new ATOM 0 HA LEU A 117 -4.655 14.075 -15.794 1.00 22.44 H new ATOM 0 HB2 LEU A 117 -6.768 12.808 -14.020 1.00 21.24 H new ATOM 0 HB3 LEU A 117 -6.525 12.565 -15.738 1.00 21.24 H new ATOM 0 HG LEU A 117 -4.670 11.622 -13.519 1.00 32.10 H new ATOM 0 HD11 LEU A 117 -5.370 9.335 -14.189 1.00 12.12 H new ATOM 0 HD12 LEU A 117 -6.736 10.311 -13.599 1.00 12.12 H new ATOM 0 HD13 LEU A 117 -6.525 10.040 -15.346 1.00 12.12 H new ATOM 0 HD21 LEU A 117 -3.400 10.414 -15.266 1.00 44.01 H new ATOM 0 HD22 LEU A 117 -4.394 11.198 -16.517 1.00 44.01 H new ATOM 0 HD23 LEU A 117 -3.334 12.180 -15.478 1.00 44.01 H new ATOM 1807 N GLU A 118 -5.651 16.496 -15.093 1.00 65.31 N ATOM 1808 CA GLU A 118 -6.383 17.797 -15.100 1.00 15.52 C ATOM 1809 C GLU A 118 -7.073 18.075 -13.734 1.00 4.11 C ATOM 1810 O GLU A 118 -6.530 18.786 -12.881 1.00 22.54 O ATOM 1811 CB GLU A 118 -7.407 17.893 -16.286 1.00 1.24 C ATOM 1812 CG GLU A 118 -6.796 17.934 -17.710 1.00 12.52 C ATOM 1813 CD GLU A 118 -6.038 16.651 -18.116 1.00 14.21 C ATOM 1814 OE1 GLU A 118 -6.698 15.629 -18.417 1.00 32.03 O ATOM 1815 OE2 GLU A 118 -4.782 16.653 -18.124 1.00 43.33 O ATOM 0 H GLU A 118 -4.644 16.608 -15.214 1.00 65.31 H new ATOM 0 HA GLU A 118 -5.637 18.576 -15.257 1.00 15.52 H new ATOM 0 HB2 GLU A 118 -8.083 17.040 -16.227 1.00 1.24 H new ATOM 0 HB3 GLU A 118 -8.012 18.789 -16.146 1.00 1.24 H new ATOM 0 HG2 GLU A 118 -7.595 18.113 -18.430 1.00 12.52 H new ATOM 0 HG3 GLU A 118 -6.113 18.781 -17.775 1.00 12.52 H new ATOM 1822 N ASN A 119 -8.266 17.486 -13.545 1.00 30.53 N ATOM 1823 CA ASN A 119 -9.053 17.575 -12.296 1.00 62.01 C ATOM 1824 C ASN A 119 -8.970 16.239 -11.519 1.00 71.24 C ATOM 1825 O ASN A 119 -9.001 16.227 -10.287 1.00 63.23 O ATOM 1826 CB ASN A 119 -10.515 17.946 -12.652 1.00 25.53 C ATOM 1827 CG ASN A 119 -11.471 17.900 -11.460 1.00 14.21 C ATOM 1828 OD1 ASN A 119 -11.609 18.863 -10.717 1.00 75.34 O ATOM 1829 ND2 ASN A 119 -12.140 16.779 -11.280 1.00 51.32 N ATOM 0 H ASN A 119 -8.721 16.925 -14.265 1.00 30.53 H new ATOM 0 HA ASN A 119 -8.647 18.351 -11.647 1.00 62.01 H new ATOM 0 HB2 ASN A 119 -10.532 18.948 -13.081 1.00 25.53 H new ATOM 0 HB3 ASN A 119 -10.876 17.264 -13.422 1.00 25.53 H new ATOM 0 HD21 ASN A 119 -12.796 16.696 -10.503 1.00 51.32 H new ATOM 0 HD22 ASN A 119 -12.002 15.995 -11.917 1.00 51.32 H new ATOM 1836 N ARG A 120 -8.871 15.121 -12.265 1.00 24.03 N ATOM 1837 CA ARG A 120 -8.703 13.770 -11.686 1.00 74.40 C ATOM 1838 C ARG A 120 -7.211 13.493 -11.346 1.00 22.32 C ATOM 1839 O ARG A 120 -6.339 14.345 -11.568 1.00 73.24 O ATOM 1840 CB ARG A 120 -9.222 12.702 -12.682 1.00 32.03 C ATOM 1841 CG ARG A 120 -10.636 12.967 -13.244 1.00 74.45 C ATOM 1842 CD ARG A 120 -11.064 11.888 -14.257 1.00 3.45 C ATOM 1843 NE ARG A 120 -10.054 11.687 -15.323 1.00 72.31 N ATOM 1844 CZ ARG A 120 -9.513 10.530 -15.667 1.00 0.41 C ATOM 1845 NH1 ARG A 120 -9.844 9.421 -15.076 1.00 73.05 N ATOM 1846 NH2 ARG A 120 -8.616 10.499 -16.601 1.00 63.23 N ATOM 0 H ARG A 120 -8.905 15.127 -13.284 1.00 24.03 H new ATOM 0 HA ARG A 120 -9.281 13.718 -10.763 1.00 74.40 H new ATOM 0 HB2 ARG A 120 -8.523 12.634 -13.515 1.00 32.03 H new ATOM 0 HB3 ARG A 120 -9.221 11.732 -12.185 1.00 32.03 H new ATOM 0 HG2 ARG A 120 -11.353 12.999 -12.423 1.00 74.45 H new ATOM 0 HG3 ARG A 120 -10.658 13.945 -13.725 1.00 74.45 H new ATOM 0 HD2 ARG A 120 -11.229 10.946 -13.734 1.00 3.45 H new ATOM 0 HD3 ARG A 120 -12.014 12.173 -14.709 1.00 3.45 H new ATOM 0 HE ARG A 120 -9.749 12.514 -15.837 1.00 72.31 H new ATOM 0 HH11 ARG A 120 -10.537 9.429 -14.327 1.00 73.05 H new ATOM 0 HH12 ARG A 120 -9.411 8.542 -15.361 1.00 73.05 H new ATOM 0 HH21 ARG A 120 -8.332 11.362 -17.065 1.00 63.23 H new ATOM 0 HH22 ARG A 120 -8.193 9.611 -16.873 1.00 63.23 H new ATOM 1860 N THR A 121 -6.924 12.295 -10.810 1.00 22.21 N ATOM 1861 CA THR A 121 -5.545 11.852 -10.487 1.00 40.30 C ATOM 1862 C THR A 121 -5.402 10.321 -10.665 1.00 24.04 C ATOM 1863 O THR A 121 -6.317 9.559 -10.340 1.00 61.14 O ATOM 1864 CB THR A 121 -5.132 12.276 -9.031 1.00 4.44 C ATOM 1865 OG1 THR A 121 -5.135 13.707 -8.934 1.00 13.33 O ATOM 1866 CG2 THR A 121 -3.741 11.761 -8.616 1.00 45.52 C ATOM 0 H THR A 121 -7.638 11.601 -10.586 1.00 22.21 H new ATOM 0 HA THR A 121 -4.870 12.347 -11.185 1.00 40.30 H new ATOM 0 HB THR A 121 -5.861 11.826 -8.357 1.00 4.44 H new ATOM 0 HG1 THR A 121 -6.042 14.019 -8.734 1.00 13.33 H new ATOM 0 HG21 THR A 121 -3.519 12.090 -7.601 1.00 45.52 H new ATOM 0 HG22 THR A 121 -3.730 10.672 -8.655 1.00 45.52 H new ATOM 0 HG23 THR A 121 -2.988 12.156 -9.298 1.00 45.52 H new ATOM 1874 N ARG A 122 -4.236 9.888 -11.175 1.00 60.55 N ATOM 1875 CA ARG A 122 -3.913 8.470 -11.411 1.00 25.04 C ATOM 1876 C ARG A 122 -2.951 7.963 -10.320 1.00 73.01 C ATOM 1877 O ARG A 122 -1.897 8.547 -10.129 1.00 41.44 O ATOM 1878 CB ARG A 122 -3.231 8.321 -12.797 1.00 15.25 C ATOM 1879 CG ARG A 122 -2.879 6.868 -13.189 1.00 42.11 C ATOM 1880 CD ARG A 122 -4.111 6.034 -13.570 1.00 73.23 C ATOM 1881 NE ARG A 122 -4.754 6.508 -14.812 1.00 50.33 N ATOM 1882 CZ ARG A 122 -4.515 6.045 -16.028 1.00 13.01 C ATOM 1883 NH1 ARG A 122 -3.587 5.160 -16.255 1.00 3.11 N ATOM 1884 NH2 ARG A 122 -5.220 6.477 -17.015 1.00 55.34 N ATOM 0 H ARG A 122 -3.481 10.522 -11.438 1.00 60.55 H new ATOM 0 HA ARG A 122 -4.832 7.885 -11.384 1.00 25.04 H new ATOM 0 HB2 ARG A 122 -3.890 8.739 -13.558 1.00 15.25 H new ATOM 0 HB3 ARG A 122 -2.318 8.916 -12.804 1.00 15.25 H new ATOM 0 HG2 ARG A 122 -2.183 6.882 -14.028 1.00 42.11 H new ATOM 0 HG3 ARG A 122 -2.365 6.387 -12.357 1.00 42.11 H new ATOM 0 HD2 ARG A 122 -3.816 4.992 -13.692 1.00 73.23 H new ATOM 0 HD3 ARG A 122 -4.834 6.067 -12.755 1.00 73.23 H new ATOM 0 HE ARG A 122 -5.441 7.257 -14.725 1.00 50.33 H new ATOM 0 HH11 ARG A 122 -3.021 4.805 -15.484 1.00 3.11 H new ATOM 0 HH12 ARG A 122 -3.426 4.822 -17.204 1.00 3.11 H new ATOM 0 HH21 ARG A 122 -5.953 7.168 -16.854 1.00 55.34 H new ATOM 0 HH22 ARG A 122 -5.046 6.128 -17.957 1.00 55.34 H new ATOM 1898 N MET A 123 -3.311 6.876 -9.621 1.00 14.12 N ATOM 1899 CA MET A 123 -2.415 6.218 -8.644 1.00 53.34 C ATOM 1900 C MET A 123 -1.883 4.892 -9.220 1.00 52.45 C ATOM 1901 O MET A 123 -2.653 4.088 -9.737 1.00 75.41 O ATOM 1902 CB MET A 123 -3.139 5.949 -7.303 1.00 60.11 C ATOM 1903 CG MET A 123 -2.197 5.496 -6.167 1.00 44.15 C ATOM 1904 SD MET A 123 -3.079 4.948 -4.697 1.00 32.35 S ATOM 1905 CE MET A 123 -3.912 3.499 -5.340 1.00 3.10 C ATOM 0 H MET A 123 -4.223 6.427 -9.712 1.00 14.12 H new ATOM 0 HA MET A 123 -1.581 6.894 -8.452 1.00 53.34 H new ATOM 0 HB2 MET A 123 -3.658 6.856 -6.992 1.00 60.11 H new ATOM 0 HB3 MET A 123 -3.900 5.184 -7.458 1.00 60.11 H new ATOM 0 HG2 MET A 123 -1.565 4.685 -6.528 1.00 44.15 H new ATOM 0 HG3 MET A 123 -1.536 6.320 -5.901 1.00 44.15 H new ATOM 0 HE1 MET A 123 -3.951 2.730 -4.569 1.00 3.10 H new ATOM 0 HE2 MET A 123 -4.926 3.765 -5.639 1.00 3.10 H new ATOM 0 HE3 MET A 123 -3.367 3.119 -6.204 1.00 3.10 H new ATOM 1915 N THR A 124 -0.564 4.678 -9.130 1.00 42.12 N ATOM 1916 CA THR A 124 0.087 3.416 -9.548 1.00 1.03 C ATOM 1917 C THR A 124 1.092 2.959 -8.464 1.00 61.52 C ATOM 1918 O THR A 124 2.066 3.661 -8.193 1.00 22.31 O ATOM 1919 CB THR A 124 0.819 3.589 -10.927 1.00 30.43 C ATOM 1920 OG1 THR A 124 -0.097 4.092 -11.923 1.00 11.01 O ATOM 1921 CG2 THR A 124 1.427 2.267 -11.435 1.00 33.21 C ATOM 0 H THR A 124 0.088 5.372 -8.766 1.00 42.12 H new ATOM 0 HA THR A 124 -0.684 2.655 -9.668 1.00 1.03 H new ATOM 0 HB THR A 124 1.629 4.300 -10.764 1.00 30.43 H new ATOM 0 HG1 THR A 124 0.373 4.196 -12.777 1.00 11.01 H new ATOM 0 HG21 THR A 124 1.922 2.438 -12.391 1.00 33.21 H new ATOM 0 HG22 THR A 124 2.154 1.899 -10.711 1.00 33.21 H new ATOM 0 HG23 THR A 124 0.636 1.528 -11.563 1.00 33.21 H new ATOM 1929 N ILE A 125 0.831 1.794 -7.829 1.00 42.04 N ATOM 1930 CA ILE A 125 1.686 1.234 -6.753 1.00 4.54 C ATOM 1931 C ILE A 125 2.475 0.004 -7.271 1.00 11.24 C ATOM 1932 O ILE A 125 1.875 -1.032 -7.539 1.00 50.53 O ATOM 1933 CB ILE A 125 0.823 0.789 -5.510 1.00 74.34 C ATOM 1934 CG1 ILE A 125 -0.182 1.907 -5.082 1.00 11.45 C ATOM 1935 CG2 ILE A 125 1.737 0.381 -4.323 1.00 42.33 C ATOM 1936 CD1 ILE A 125 -1.124 1.508 -3.955 1.00 21.12 C ATOM 0 H ILE A 125 0.021 1.214 -8.047 1.00 42.04 H new ATOM 0 HA ILE A 125 2.377 2.020 -6.448 1.00 4.54 H new ATOM 0 HB ILE A 125 0.239 -0.082 -5.807 1.00 74.34 H new ATOM 0 HG12 ILE A 125 0.382 2.787 -4.773 1.00 11.45 H new ATOM 0 HG13 ILE A 125 -0.775 2.197 -5.949 1.00 11.45 H new ATOM 0 HG21 ILE A 125 1.121 0.078 -3.477 1.00 42.33 H new ATOM 0 HG22 ILE A 125 2.375 -0.450 -4.624 1.00 42.33 H new ATOM 0 HG23 ILE A 125 2.358 1.229 -4.034 1.00 42.33 H new ATOM 0 HD11 ILE A 125 -1.786 2.342 -3.722 1.00 21.12 H new ATOM 0 HD12 ILE A 125 -1.718 0.648 -4.265 1.00 21.12 H new ATOM 0 HD13 ILE A 125 -0.543 1.248 -3.070 1.00 21.12 H new ATOM 1948 N ILE A 126 3.816 0.112 -7.386 1.00 43.50 N ATOM 1949 CA ILE A 126 4.676 -0.979 -7.920 1.00 43.40 C ATOM 1950 C ILE A 126 5.533 -1.590 -6.774 1.00 15.03 C ATOM 1951 O ILE A 126 6.514 -0.979 -6.348 1.00 14.41 O ATOM 1952 CB ILE A 126 5.635 -0.475 -9.090 1.00 73.51 C ATOM 1953 CG1 ILE A 126 4.882 0.426 -10.143 1.00 12.31 C ATOM 1954 CG2 ILE A 126 6.324 -1.675 -9.791 1.00 73.24 C ATOM 1955 CD1 ILE A 126 4.745 1.895 -9.763 1.00 42.31 C ATOM 0 H ILE A 126 4.334 0.948 -7.115 1.00 43.50 H new ATOM 0 HA ILE A 126 4.013 -1.737 -8.337 1.00 43.40 H new ATOM 0 HB ILE A 126 6.399 0.149 -8.626 1.00 73.51 H new ATOM 0 HG12 ILE A 126 5.409 0.362 -11.095 1.00 12.31 H new ATOM 0 HG13 ILE A 126 3.885 0.014 -10.302 1.00 12.31 H new ATOM 0 HG21 ILE A 126 6.974 -1.308 -10.586 1.00 73.24 H new ATOM 0 HG22 ILE A 126 6.918 -2.229 -9.064 1.00 73.24 H new ATOM 0 HG23 ILE A 126 5.566 -2.332 -10.217 1.00 73.24 H new ATOM 0 HD11 ILE A 126 4.213 2.427 -10.552 1.00 42.31 H new ATOM 0 HD12 ILE A 126 4.188 1.979 -8.830 1.00 42.31 H new ATOM 0 HD13 ILE A 126 5.735 2.332 -9.635 1.00 42.31 H new ATOM 1967 N SER A 127 5.152 -2.788 -6.286 1.00 72.02 N ATOM 1968 CA SER A 127 5.772 -3.438 -5.096 1.00 45.20 C ATOM 1969 C SER A 127 6.733 -4.580 -5.518 1.00 45.32 C ATOM 1970 O SER A 127 6.308 -5.566 -6.123 1.00 74.42 O ATOM 1971 CB SER A 127 4.656 -3.953 -4.145 1.00 21.45 C ATOM 1972 OG SER A 127 5.167 -4.294 -2.865 1.00 3.42 O ATOM 0 H SER A 127 4.403 -3.340 -6.703 1.00 72.02 H new ATOM 0 HA SER A 127 6.372 -2.701 -4.562 1.00 45.20 H new ATOM 0 HB2 SER A 127 3.889 -3.186 -4.037 1.00 21.45 H new ATOM 0 HB3 SER A 127 4.175 -4.825 -4.588 1.00 21.45 H new ATOM 0 HG SER A 127 5.823 -5.016 -2.956 1.00 3.42 H new ATOM 1978 N THR A 128 8.034 -4.421 -5.193 1.00 2.54 N ATOM 1979 CA THR A 128 9.134 -5.302 -5.665 1.00 61.41 C ATOM 1980 C THR A 128 9.631 -6.278 -4.562 1.00 44.52 C ATOM 1981 O THR A 128 10.291 -5.869 -3.599 1.00 44.35 O ATOM 1982 CB THR A 128 10.337 -4.442 -6.195 1.00 25.25 C ATOM 1983 OG1 THR A 128 10.754 -3.502 -5.193 1.00 50.41 O ATOM 1984 CG2 THR A 128 9.972 -3.674 -7.481 1.00 2.41 C ATOM 0 H THR A 128 8.359 -3.667 -4.587 1.00 2.54 H new ATOM 0 HA THR A 128 8.727 -5.905 -6.477 1.00 61.41 H new ATOM 0 HB THR A 128 11.149 -5.132 -6.424 1.00 25.25 H new ATOM 0 HG1 THR A 128 10.766 -3.941 -4.317 1.00 50.41 H new ATOM 0 HG21 THR A 128 10.832 -3.092 -7.814 1.00 2.41 H new ATOM 0 HG22 THR A 128 9.690 -4.382 -8.260 1.00 2.41 H new ATOM 0 HG23 THR A 128 9.136 -3.004 -7.280 1.00 2.41 H new ATOM 1992 N PHE A 129 9.329 -7.575 -4.748 1.00 23.12 N ATOM 1993 CA PHE A 129 9.622 -8.659 -3.770 1.00 5.43 C ATOM 1994 C PHE A 129 11.103 -9.112 -3.840 1.00 23.14 C ATOM 1995 O PHE A 129 11.777 -8.906 -4.856 1.00 51.44 O ATOM 1996 CB PHE A 129 8.692 -9.870 -4.047 1.00 15.43 C ATOM 1997 CG PHE A 129 7.204 -9.508 -4.113 1.00 64.25 C ATOM 1998 CD1 PHE A 129 6.631 -9.072 -5.308 1.00 54.52 C ATOM 1999 CD2 PHE A 129 6.384 -9.596 -2.988 1.00 62.20 C ATOM 2000 CE1 PHE A 129 5.297 -8.739 -5.375 1.00 63.14 C ATOM 2001 CE2 PHE A 129 5.046 -9.256 -3.058 1.00 1.34 C ATOM 2002 CZ PHE A 129 4.502 -8.828 -4.251 1.00 31.53 C ATOM 0 H PHE A 129 8.867 -7.914 -5.592 1.00 23.12 H new ATOM 0 HA PHE A 129 9.441 -8.267 -2.769 1.00 5.43 H new ATOM 0 HB2 PHE A 129 8.985 -10.333 -4.989 1.00 15.43 H new ATOM 0 HB3 PHE A 129 8.840 -10.616 -3.266 1.00 15.43 H new ATOM 0 HD1 PHE A 129 7.243 -8.995 -6.194 1.00 54.52 H new ATOM 0 HD2 PHE A 129 6.800 -9.934 -2.050 1.00 62.20 H new ATOM 0 HE1 PHE A 129 4.871 -8.407 -6.310 1.00 63.14 H new ATOM 0 HE2 PHE A 129 4.425 -9.326 -2.177 1.00 1.34 H new ATOM 0 HZ PHE A 129 3.456 -8.563 -4.305 1.00 31.53 H new ATOM 2012 N GLU A 130 11.593 -9.751 -2.756 1.00 61.12 N ATOM 2013 CA GLU A 130 12.987 -10.258 -2.672 1.00 33.42 C ATOM 2014 C GLU A 130 13.140 -11.722 -3.177 1.00 55.11 C ATOM 2015 O GLU A 130 14.262 -12.150 -3.473 1.00 74.25 O ATOM 2016 CB GLU A 130 13.561 -10.049 -1.224 1.00 43.24 C ATOM 2017 CG GLU A 130 12.736 -10.618 -0.035 1.00 0.35 C ATOM 2018 CD GLU A 130 12.860 -12.141 0.166 1.00 73.43 C ATOM 2019 OE1 GLU A 130 13.941 -12.599 0.602 1.00 40.01 O ATOM 2020 OE2 GLU A 130 11.891 -12.878 -0.082 1.00 55.53 O ATOM 0 H GLU A 130 11.041 -9.931 -1.918 1.00 61.12 H new ATOM 0 HA GLU A 130 13.591 -9.665 -3.359 1.00 33.42 H new ATOM 0 HB2 GLU A 130 14.554 -10.496 -1.188 1.00 43.24 H new ATOM 0 HB3 GLU A 130 13.687 -8.978 -1.064 1.00 43.24 H new ATOM 0 HG2 GLU A 130 13.052 -10.118 0.881 1.00 0.35 H new ATOM 0 HG3 GLU A 130 11.686 -10.370 -0.188 1.00 0.35 H new ATOM 2027 N SER A 131 12.026 -12.494 -3.276 1.00 63.30 N ATOM 2028 CA SER A 131 12.048 -13.848 -3.918 1.00 53.01 C ATOM 2029 C SER A 131 10.680 -14.233 -4.532 1.00 1.23 C ATOM 2030 O SER A 131 9.643 -13.637 -4.213 1.00 61.05 O ATOM 2031 CB SER A 131 12.481 -14.954 -2.920 1.00 71.12 C ATOM 2032 OG SER A 131 11.483 -15.212 -1.942 1.00 13.43 O ATOM 0 H SER A 131 11.110 -12.213 -2.927 1.00 63.30 H new ATOM 0 HA SER A 131 12.783 -13.779 -4.720 1.00 53.01 H new ATOM 0 HB2 SER A 131 12.697 -15.871 -3.468 1.00 71.12 H new ATOM 0 HB3 SER A 131 13.404 -14.653 -2.425 1.00 71.12 H new ATOM 0 HG SER A 131 11.589 -14.587 -1.194 1.00 13.43 H new ATOM 2038 N GLU A 132 10.710 -15.248 -5.428 1.00 11.44 N ATOM 2039 CA GLU A 132 9.496 -15.824 -6.058 1.00 52.44 C ATOM 2040 C GLU A 132 8.588 -16.502 -5.016 1.00 35.15 C ATOM 2041 O GLU A 132 7.405 -16.192 -4.931 1.00 33.53 O ATOM 2042 CB GLU A 132 9.876 -16.844 -7.160 1.00 22.10 C ATOM 2043 CG GLU A 132 8.663 -17.515 -7.852 1.00 52.04 C ATOM 2044 CD GLU A 132 9.059 -18.525 -8.942 1.00 31.11 C ATOM 2045 OE1 GLU A 132 9.365 -18.096 -10.074 1.00 21.25 O ATOM 2046 OE2 GLU A 132 9.072 -19.749 -8.677 1.00 61.14 O ATOM 0 H GLU A 132 11.576 -15.691 -5.735 1.00 11.44 H new ATOM 0 HA GLU A 132 8.946 -14.999 -6.511 1.00 52.44 H new ATOM 0 HB2 GLU A 132 10.477 -16.338 -7.916 1.00 22.10 H new ATOM 0 HB3 GLU A 132 10.504 -17.619 -6.721 1.00 22.10 H new ATOM 0 HG2 GLU A 132 8.061 -18.023 -7.099 1.00 52.04 H new ATOM 0 HG3 GLU A 132 8.035 -16.742 -8.295 1.00 52.04 H new ATOM 2053 N GLU A 133 9.167 -17.424 -4.226 1.00 53.43 N ATOM 2054 CA GLU A 133 8.432 -18.168 -3.169 1.00 23.11 C ATOM 2055 C GLU A 133 7.766 -17.221 -2.128 1.00 24.11 C ATOM 2056 O GLU A 133 6.765 -17.590 -1.499 1.00 64.34 O ATOM 2057 CB GLU A 133 9.387 -19.179 -2.483 1.00 71.30 C ATOM 2058 CG GLU A 133 10.659 -18.548 -1.885 1.00 63.10 C ATOM 2059 CD GLU A 133 11.677 -19.595 -1.411 1.00 60.23 C ATOM 2060 OE1 GLU A 133 12.474 -20.084 -2.246 1.00 63.31 O ATOM 2061 OE2 GLU A 133 11.688 -19.943 -0.211 1.00 24.13 O ATOM 0 H GLU A 133 10.152 -17.679 -4.296 1.00 53.43 H new ATOM 0 HA GLU A 133 7.618 -18.713 -3.647 1.00 23.11 H new ATOM 0 HB2 GLU A 133 8.844 -19.693 -1.690 1.00 71.30 H new ATOM 0 HB3 GLU A 133 9.679 -19.936 -3.211 1.00 71.30 H new ATOM 0 HG2 GLU A 133 11.126 -17.906 -2.632 1.00 63.10 H new ATOM 0 HG3 GLU A 133 10.382 -17.911 -1.045 1.00 63.10 H new ATOM 2068 N GLN A 134 8.318 -15.996 -1.974 1.00 63.12 N ATOM 2069 CA GLN A 134 7.682 -14.929 -1.179 1.00 3.13 C ATOM 2070 C GLN A 134 6.367 -14.458 -1.846 1.00 51.20 C ATOM 2071 O GLN A 134 5.292 -14.551 -1.248 1.00 1.15 O ATOM 2072 CB GLN A 134 8.628 -13.706 -1.055 1.00 64.24 C ATOM 2073 CG GLN A 134 8.121 -12.588 -0.106 1.00 2.34 C ATOM 2074 CD GLN A 134 8.676 -11.196 -0.421 1.00 23.22 C ATOM 2075 OE1 GLN A 134 9.730 -11.056 -1.006 1.00 35.04 O ATOM 2076 NE2 GLN A 134 7.986 -10.153 0.006 1.00 65.21 N ATOM 0 H GLN A 134 9.207 -15.724 -2.394 1.00 63.12 H new ATOM 0 HA GLN A 134 7.469 -15.339 -0.192 1.00 3.13 H new ATOM 0 HB2 GLN A 134 9.600 -14.050 -0.702 1.00 64.24 H new ATOM 0 HB3 GLN A 134 8.781 -13.280 -2.047 1.00 64.24 H new ATOM 0 HG2 GLN A 134 7.033 -12.552 -0.154 1.00 2.34 H new ATOM 0 HG3 GLN A 134 8.386 -12.849 0.919 1.00 2.34 H new ATOM 0 HE21 GLN A 134 7.102 -10.292 0.496 1.00 65.21 H new ATOM 0 HE22 GLN A 134 8.337 -9.209 -0.154 1.00 65.21 H new ATOM 2085 N MET A 135 6.478 -13.999 -3.121 1.00 22.14 N ATOM 2086 CA MET A 135 5.348 -13.387 -3.874 1.00 2.53 C ATOM 2087 C MET A 135 4.231 -14.409 -4.191 1.00 2.10 C ATOM 2088 O MET A 135 3.068 -14.030 -4.378 1.00 22.12 O ATOM 2089 CB MET A 135 5.841 -12.672 -5.161 1.00 14.42 C ATOM 2090 CG MET A 135 6.327 -13.561 -6.310 1.00 4.23 C ATOM 2091 SD MET A 135 6.960 -12.598 -7.703 1.00 35.20 S ATOM 2092 CE MET A 135 5.584 -11.502 -8.069 1.00 73.21 C ATOM 0 H MET A 135 7.347 -14.042 -3.654 1.00 22.14 H new ATOM 0 HA MET A 135 4.910 -12.632 -3.221 1.00 2.53 H new ATOM 0 HB2 MET A 135 5.028 -12.050 -5.535 1.00 14.42 H new ATOM 0 HB3 MET A 135 6.654 -12.001 -4.885 1.00 14.42 H new ATOM 0 HG2 MET A 135 7.110 -14.226 -5.946 1.00 4.23 H new ATOM 0 HG3 MET A 135 5.506 -14.192 -6.651 1.00 4.23 H new ATOM 0 HE1 MET A 135 5.551 -11.304 -9.140 1.00 73.21 H new ATOM 0 HE2 MET A 135 4.651 -11.973 -7.758 1.00 73.21 H new ATOM 0 HE3 MET A 135 5.713 -10.563 -7.530 1.00 73.21 H new ATOM 2102 N GLN A 136 4.613 -15.697 -4.275 1.00 0.11 N ATOM 2103 CA GLN A 136 3.666 -16.814 -4.403 1.00 61.51 C ATOM 2104 C GLN A 136 2.723 -16.873 -3.179 1.00 42.11 C ATOM 2105 O GLN A 136 1.503 -16.869 -3.342 1.00 10.31 O ATOM 2106 CB GLN A 136 4.421 -18.162 -4.571 1.00 72.32 C ATOM 2107 CG GLN A 136 5.197 -18.332 -5.898 1.00 11.53 C ATOM 2108 CD GLN A 136 4.322 -18.121 -7.140 1.00 73.12 C ATOM 2109 OE1 GLN A 136 3.661 -19.038 -7.615 1.00 44.45 O ATOM 2110 NE2 GLN A 136 4.326 -16.916 -7.689 1.00 33.53 N ATOM 0 H GLN A 136 5.590 -15.990 -4.256 1.00 0.11 H new ATOM 0 HA GLN A 136 3.064 -16.645 -5.296 1.00 61.51 H new ATOM 0 HB2 GLN A 136 5.123 -18.270 -3.744 1.00 72.32 H new ATOM 0 HB3 GLN A 136 3.700 -18.975 -4.486 1.00 72.32 H new ATOM 0 HG2 GLN A 136 6.025 -17.624 -5.920 1.00 11.53 H new ATOM 0 HG3 GLN A 136 5.631 -19.331 -5.932 1.00 11.53 H new ATOM 0 HE21 GLN A 136 4.884 -16.169 -7.275 1.00 33.53 H new ATOM 0 HE22 GLN A 136 3.771 -16.735 -8.525 1.00 33.53 H new ATOM 2119 N LYS A 137 3.298 -16.874 -1.950 1.00 11.31 N ATOM 2120 CA LYS A 137 2.496 -16.936 -0.707 1.00 51.42 C ATOM 2121 C LYS A 137 1.711 -15.619 -0.467 1.00 35.22 C ATOM 2122 O LYS A 137 0.645 -15.642 0.145 1.00 60.11 O ATOM 2123 CB LYS A 137 3.350 -17.311 0.539 1.00 33.30 C ATOM 2124 CG LYS A 137 2.480 -17.595 1.787 1.00 3.31 C ATOM 2125 CD LYS A 137 3.262 -18.042 3.035 1.00 54.24 C ATOM 2126 CE LYS A 137 2.308 -18.317 4.220 1.00 73.32 C ATOM 2127 NZ LYS A 137 3.022 -18.695 5.451 1.00 12.13 N ATOM 0 H LYS A 137 4.305 -16.833 -1.796 1.00 11.31 H new ATOM 0 HA LYS A 137 1.773 -17.739 -0.850 1.00 51.42 H new ATOM 0 HB2 LYS A 137 3.953 -18.190 0.312 1.00 33.30 H new ATOM 0 HB3 LYS A 137 4.042 -16.499 0.759 1.00 33.30 H new ATOM 0 HG2 LYS A 137 1.917 -16.694 2.032 1.00 3.31 H new ATOM 0 HG3 LYS A 137 1.752 -18.367 1.536 1.00 3.31 H new ATOM 0 HD2 LYS A 137 3.833 -18.942 2.807 1.00 54.24 H new ATOM 0 HD3 LYS A 137 3.980 -17.271 3.314 1.00 54.24 H new ATOM 0 HE2 LYS A 137 1.708 -17.427 4.412 1.00 73.32 H new ATOM 0 HE3 LYS A 137 1.617 -19.114 3.947 1.00 73.32 H new ATOM 0 HZ1 LYS A 137 2.335 -18.982 6.177 1.00 12.13 H new ATOM 0 HZ2 LYS A 137 3.665 -19.488 5.250 1.00 12.13 H new ATOM 0 HZ3 LYS A 137 3.572 -17.883 5.797 1.00 12.13 H new ATOM 2141 N MET A 138 2.250 -14.476 -0.944 1.00 20.32 N ATOM 2142 CA MET A 138 1.516 -13.178 -0.948 1.00 65.13 C ATOM 2143 C MET A 138 0.154 -13.319 -1.684 1.00 13.23 C ATOM 2144 O MET A 138 -0.883 -12.861 -1.200 1.00 22.21 O ATOM 2145 CB MET A 138 2.374 -12.072 -1.625 1.00 22.14 C ATOM 2146 CG MET A 138 3.732 -11.756 -0.947 1.00 54.33 C ATOM 2147 SD MET A 138 3.648 -10.514 0.369 1.00 22.43 S ATOM 2148 CE MET A 138 2.997 -11.446 1.745 1.00 25.44 C ATOM 0 H MET A 138 3.191 -14.419 -1.333 1.00 20.32 H new ATOM 0 HA MET A 138 1.324 -12.893 0.086 1.00 65.13 H new ATOM 0 HB2 MET A 138 2.565 -12.369 -2.656 1.00 22.14 H new ATOM 0 HB3 MET A 138 1.786 -11.155 -1.661 1.00 22.14 H new ATOM 0 HG2 MET A 138 4.139 -12.678 -0.533 1.00 54.33 H new ATOM 0 HG3 MET A 138 4.432 -11.412 -1.709 1.00 54.33 H new ATOM 0 HE1 MET A 138 3.455 -11.096 2.670 1.00 25.44 H new ATOM 0 HE2 MET A 138 1.917 -11.308 1.800 1.00 25.44 H new ATOM 0 HE3 MET A 138 3.221 -12.504 1.607 1.00 25.44 H new ATOM 2158 N ALA A 139 0.184 -13.984 -2.849 1.00 72.31 N ATOM 2159 CA ALA A 139 -1.031 -14.306 -3.622 1.00 24.01 C ATOM 2160 C ALA A 139 -1.953 -15.296 -2.854 1.00 2.12 C ATOM 2161 O ALA A 139 -3.166 -15.068 -2.751 1.00 22.03 O ATOM 2162 CB ALA A 139 -0.636 -14.870 -5.001 1.00 63.41 C ATOM 0 H ALA A 139 1.046 -14.314 -3.283 1.00 72.31 H new ATOM 0 HA ALA A 139 -1.601 -13.388 -3.766 1.00 24.01 H new ATOM 0 HB1 ALA A 139 -1.536 -15.107 -5.569 1.00 63.41 H new ATOM 0 HB2 ALA A 139 -0.049 -14.128 -5.543 1.00 63.41 H new ATOM 0 HB3 ALA A 139 -0.043 -15.775 -4.868 1.00 63.41 H new ATOM 2168 N GLU A 140 -1.350 -16.363 -2.282 1.00 22.13 N ATOM 2169 CA GLU A 140 -2.088 -17.441 -1.559 1.00 1.33 C ATOM 2170 C GLU A 140 -2.879 -16.911 -0.332 1.00 11.32 C ATOM 2171 O GLU A 140 -4.046 -17.263 -0.131 1.00 53.22 O ATOM 2172 CB GLU A 140 -1.111 -18.564 -1.100 1.00 64.32 C ATOM 2173 CG GLU A 140 -0.327 -19.264 -2.233 1.00 70.42 C ATOM 2174 CD GLU A 140 -1.224 -19.843 -3.342 1.00 42.44 C ATOM 2175 OE1 GLU A 140 -1.892 -20.870 -3.100 1.00 71.42 O ATOM 2176 OE2 GLU A 140 -1.264 -19.279 -4.456 1.00 11.41 O ATOM 0 H GLU A 140 -0.340 -16.507 -2.305 1.00 22.13 H new ATOM 0 HA GLU A 140 -2.811 -17.845 -2.268 1.00 1.33 H new ATOM 0 HB2 GLU A 140 -0.396 -18.136 -0.397 1.00 64.32 H new ATOM 0 HB3 GLU A 140 -1.680 -19.318 -0.556 1.00 64.32 H new ATOM 0 HG2 GLU A 140 0.368 -18.551 -2.676 1.00 70.42 H new ATOM 0 HG3 GLU A 140 0.271 -20.068 -1.805 1.00 70.42 H new ATOM 2183 N MET A 141 -2.226 -16.052 0.469 1.00 34.53 N ATOM 2184 CA MET A 141 -2.816 -15.463 1.699 1.00 40.31 C ATOM 2185 C MET A 141 -3.841 -14.348 1.390 1.00 2.35 C ATOM 2186 O MET A 141 -4.587 -13.922 2.284 1.00 73.33 O ATOM 2187 CB MET A 141 -1.686 -14.901 2.599 1.00 14.02 C ATOM 2188 CG MET A 141 -0.728 -15.962 3.153 1.00 21.35 C ATOM 2189 SD MET A 141 0.637 -15.241 4.091 1.00 3.53 S ATOM 2190 CE MET A 141 -0.219 -14.379 5.411 1.00 45.54 C ATOM 0 H MET A 141 -1.272 -15.741 0.288 1.00 34.53 H new ATOM 0 HA MET A 141 -3.352 -16.259 2.216 1.00 40.31 H new ATOM 0 HB2 MET A 141 -1.111 -14.174 2.026 1.00 14.02 H new ATOM 0 HB3 MET A 141 -2.137 -14.365 3.434 1.00 14.02 H new ATOM 0 HG2 MET A 141 -1.282 -16.648 3.794 1.00 21.35 H new ATOM 0 HG3 MET A 141 -0.327 -16.550 2.328 1.00 21.35 H new ATOM 0 HE1 MET A 141 0.404 -14.372 6.305 1.00 45.54 H new ATOM 0 HE2 MET A 141 -0.423 -13.354 5.103 1.00 45.54 H new ATOM 0 HE3 MET A 141 -1.159 -14.887 5.628 1.00 45.54 H new ATOM 2200 N GLY A 142 -3.876 -13.898 0.124 1.00 70.13 N ATOM 2201 CA GLY A 142 -4.765 -12.813 -0.293 1.00 41.51 C ATOM 2202 C GLY A 142 -4.238 -11.429 0.084 1.00 34.02 C ATOM 2203 O GLY A 142 -5.018 -10.528 0.368 1.00 31.10 O ATOM 0 H GLY A 142 -3.295 -14.273 -0.626 1.00 70.13 H new ATOM 0 HA2 GLY A 142 -4.905 -12.860 -1.373 1.00 41.51 H new ATOM 0 HA3 GLY A 142 -5.745 -12.959 0.162 1.00 41.51 H new ATOM 2207 N MET A 143 -2.896 -11.281 0.102 1.00 0.34 N ATOM 2208 CA MET A 143 -2.212 -9.969 0.265 1.00 15.20 C ATOM 2209 C MET A 143 -2.456 -9.083 -0.988 1.00 53.11 C ATOM 2210 O MET A 143 -2.551 -7.852 -0.884 1.00 60.41 O ATOM 2211 CB MET A 143 -0.695 -10.208 0.537 1.00 44.43 C ATOM 2212 CG MET A 143 0.180 -8.951 0.706 1.00 4.34 C ATOM 2213 SD MET A 143 0.611 -8.160 -0.861 1.00 32.35 S ATOM 2214 CE MET A 143 1.793 -6.920 -0.327 1.00 45.00 C ATOM 0 H MET A 143 -2.251 -12.065 0.004 1.00 0.34 H new ATOM 0 HA MET A 143 -2.623 -9.433 1.121 1.00 15.20 H new ATOM 0 HB2 MET A 143 -0.601 -10.813 1.439 1.00 44.43 H new ATOM 0 HB3 MET A 143 -0.290 -10.798 -0.285 1.00 44.43 H new ATOM 0 HG2 MET A 143 -0.347 -8.233 1.334 1.00 4.34 H new ATOM 0 HG3 MET A 143 1.096 -9.223 1.231 1.00 4.34 H new ATOM 0 HE1 MET A 143 2.144 -6.356 -1.191 1.00 45.00 H new ATOM 0 HE2 MET A 143 1.315 -6.242 0.380 1.00 45.00 H new ATOM 0 HE3 MET A 143 2.640 -7.408 0.155 1.00 45.00 H new ATOM 2224 N GLU A 144 -2.573 -9.741 -2.166 1.00 13.20 N ATOM 2225 CA GLU A 144 -3.101 -9.119 -3.409 1.00 60.52 C ATOM 2226 C GLU A 144 -4.476 -8.460 -3.143 1.00 40.54 C ATOM 2227 O GLU A 144 -4.643 -7.254 -3.321 1.00 0.51 O ATOM 2228 CB GLU A 144 -3.234 -10.194 -4.538 1.00 23.10 C ATOM 2229 CG GLU A 144 -4.078 -9.755 -5.772 1.00 52.31 C ATOM 2230 CD GLU A 144 -4.250 -10.853 -6.830 1.00 21.03 C ATOM 2231 OE1 GLU A 144 -4.711 -11.958 -6.472 1.00 54.32 O ATOM 2232 OE2 GLU A 144 -3.952 -10.616 -8.025 1.00 42.32 O ATOM 0 H GLU A 144 -2.305 -10.718 -2.284 1.00 13.20 H new ATOM 0 HA GLU A 144 -2.401 -8.349 -3.733 1.00 60.52 H new ATOM 0 HB2 GLU A 144 -2.235 -10.466 -4.879 1.00 23.10 H new ATOM 0 HB3 GLU A 144 -3.681 -11.092 -4.112 1.00 23.10 H new ATOM 0 HG2 GLU A 144 -5.063 -9.435 -5.431 1.00 52.31 H new ATOM 0 HG3 GLU A 144 -3.604 -8.889 -6.235 1.00 52.31 H new ATOM 2239 N GLU A 145 -5.429 -9.291 -2.673 1.00 61.52 N ATOM 2240 CA GLU A 145 -6.807 -8.864 -2.342 1.00 15.23 C ATOM 2241 C GLU A 145 -6.844 -7.919 -1.110 1.00 5.33 C ATOM 2242 O GLU A 145 -7.791 -7.158 -0.943 1.00 31.02 O ATOM 2243 CB GLU A 145 -7.694 -10.116 -2.101 1.00 72.13 C ATOM 2244 CG GLU A 145 -7.741 -11.116 -3.286 1.00 2.11 C ATOM 2245 CD GLU A 145 -8.380 -10.539 -4.568 1.00 20.21 C ATOM 2246 OE1 GLU A 145 -9.627 -10.458 -4.632 1.00 4.42 O ATOM 2247 OE2 GLU A 145 -7.647 -10.186 -5.521 1.00 63.22 O ATOM 0 H GLU A 145 -5.264 -10.284 -2.511 1.00 61.52 H new ATOM 0 HA GLU A 145 -7.199 -8.297 -3.187 1.00 15.23 H new ATOM 0 HB2 GLU A 145 -7.329 -10.638 -1.217 1.00 72.13 H new ATOM 0 HB3 GLU A 145 -8.710 -9.788 -1.880 1.00 72.13 H new ATOM 0 HG2 GLU A 145 -6.726 -11.443 -3.513 1.00 2.11 H new ATOM 0 HG3 GLU A 145 -8.300 -12.001 -2.980 1.00 2.11 H new ATOM 2254 N GLY A 146 -5.794 -7.985 -0.268 1.00 71.35 N ATOM 2255 CA GLY A 146 -5.646 -7.108 0.901 1.00 22.35 C ATOM 2256 C GLY A 146 -5.381 -5.653 0.512 1.00 61.03 C ATOM 2257 O GLY A 146 -5.980 -4.728 1.076 1.00 2.44 O ATOM 0 H GLY A 146 -5.028 -8.648 -0.382 1.00 71.35 H new ATOM 0 HA2 GLY A 146 -6.551 -7.160 1.507 1.00 22.35 H new ATOM 0 HA3 GLY A 146 -4.826 -7.470 1.521 1.00 22.35 H new ATOM 2261 N MET A 147 -4.462 -5.462 -0.458 1.00 34.44 N ATOM 2262 CA MET A 147 -4.239 -4.146 -1.095 1.00 73.25 C ATOM 2263 C MET A 147 -5.448 -3.755 -1.964 1.00 41.35 C ATOM 2264 O MET A 147 -5.909 -2.634 -1.902 1.00 12.52 O ATOM 2265 CB MET A 147 -2.957 -4.146 -1.970 1.00 22.22 C ATOM 2266 CG MET A 147 -1.646 -4.293 -1.196 1.00 54.43 C ATOM 2267 SD MET A 147 -0.190 -4.255 -2.271 1.00 11.11 S ATOM 2268 CE MET A 147 -0.260 -2.588 -2.934 1.00 21.24 C ATOM 0 H MET A 147 -3.861 -6.204 -0.818 1.00 34.44 H new ATOM 0 HA MET A 147 -4.113 -3.417 -0.295 1.00 73.25 H new ATOM 0 HB2 MET A 147 -3.028 -4.959 -2.692 1.00 22.22 H new ATOM 0 HB3 MET A 147 -2.923 -3.217 -2.539 1.00 22.22 H new ATOM 0 HG2 MET A 147 -1.571 -3.491 -0.462 1.00 54.43 H new ATOM 0 HG3 MET A 147 -1.659 -5.232 -0.643 1.00 54.43 H new ATOM 0 HE1 MET A 147 -0.199 -2.626 -4.022 1.00 21.24 H new ATOM 0 HE2 MET A 147 -1.199 -2.118 -2.640 1.00 21.24 H new ATOM 0 HE3 MET A 147 0.575 -2.006 -2.544 1.00 21.24 H new ATOM 2278 N ARG A 148 -5.969 -4.725 -2.727 1.00 32.14 N ATOM 2279 CA ARG A 148 -6.996 -4.497 -3.772 1.00 30.32 C ATOM 2280 C ARG A 148 -8.313 -3.939 -3.175 1.00 44.54 C ATOM 2281 O ARG A 148 -8.853 -2.953 -3.678 1.00 30.12 O ATOM 2282 CB ARG A 148 -7.241 -5.825 -4.520 1.00 41.24 C ATOM 2283 CG ARG A 148 -7.949 -5.695 -5.882 1.00 42.21 C ATOM 2284 CD ARG A 148 -8.082 -7.059 -6.572 1.00 61.02 C ATOM 2285 NE ARG A 148 -8.611 -6.969 -7.939 1.00 3.01 N ATOM 2286 CZ ARG A 148 -8.633 -7.967 -8.795 1.00 30.41 C ATOM 2287 NH1 ARG A 148 -8.206 -9.154 -8.470 1.00 50.13 N ATOM 2288 NH2 ARG A 148 -9.095 -7.775 -9.979 1.00 32.20 N ATOM 0 H ARG A 148 -5.692 -5.703 -2.641 1.00 32.14 H new ATOM 0 HA ARG A 148 -6.632 -3.743 -4.470 1.00 30.32 H new ATOM 0 HB2 ARG A 148 -6.281 -6.318 -4.674 1.00 41.24 H new ATOM 0 HB3 ARG A 148 -7.836 -6.478 -3.881 1.00 41.24 H new ATOM 0 HG2 ARG A 148 -8.938 -5.258 -5.740 1.00 42.21 H new ATOM 0 HG3 ARG A 148 -7.389 -5.014 -6.522 1.00 42.21 H new ATOM 0 HD2 ARG A 148 -7.105 -7.542 -6.599 1.00 61.02 H new ATOM 0 HD3 ARG A 148 -8.736 -7.697 -5.978 1.00 61.02 H new ATOM 0 HE ARG A 148 -8.987 -6.072 -8.245 1.00 3.01 H new ATOM 0 HH11 ARG A 148 -7.844 -9.327 -7.532 1.00 50.13 H new ATOM 0 HH12 ARG A 148 -8.234 -9.911 -9.153 1.00 50.13 H new ATOM 0 HH21 ARG A 148 -9.441 -6.854 -10.248 1.00 32.20 H new ATOM 0 HH22 ARG A 148 -9.116 -8.544 -10.649 1.00 32.20 H new ATOM 2302 N GLU A 149 -8.795 -4.579 -2.085 1.00 74.14 N ATOM 2303 CA GLU A 149 -9.958 -4.087 -1.299 1.00 4.32 C ATOM 2304 C GLU A 149 -9.707 -2.677 -0.747 1.00 70.12 C ATOM 2305 O GLU A 149 -10.551 -1.799 -0.879 1.00 62.12 O ATOM 2306 CB GLU A 149 -10.288 -5.053 -0.125 1.00 3.05 C ATOM 2307 CG GLU A 149 -10.912 -6.398 -0.545 1.00 4.25 C ATOM 2308 CD GLU A 149 -12.275 -6.226 -1.235 1.00 23.50 C ATOM 2309 OE1 GLU A 149 -13.316 -6.212 -0.538 1.00 72.41 O ATOM 2310 OE2 GLU A 149 -12.314 -6.107 -2.477 1.00 71.31 O ATOM 0 H GLU A 149 -8.395 -5.445 -1.725 1.00 74.14 H new ATOM 0 HA GLU A 149 -10.809 -4.049 -1.979 1.00 4.32 H new ATOM 0 HB2 GLU A 149 -9.372 -5.252 0.430 1.00 3.05 H new ATOM 0 HB3 GLU A 149 -10.972 -4.550 0.559 1.00 3.05 H new ATOM 0 HG2 GLU A 149 -10.230 -6.916 -1.219 1.00 4.25 H new ATOM 0 HG3 GLU A 149 -11.031 -7.030 0.335 1.00 4.25 H new ATOM 2317 N ALA A 150 -8.526 -2.487 -0.141 1.00 71.32 N ATOM 2318 CA ALA A 150 -8.095 -1.185 0.401 1.00 1.01 C ATOM 2319 C ALA A 150 -8.139 -0.061 -0.675 1.00 44.12 C ATOM 2320 O ALA A 150 -8.634 1.041 -0.425 1.00 21.33 O ATOM 2321 CB ALA A 150 -6.682 -1.341 0.983 1.00 73.25 C ATOM 0 H ALA A 150 -7.840 -3.231 -0.011 1.00 71.32 H new ATOM 0 HA ALA A 150 -8.787 -0.882 1.186 1.00 1.01 H new ATOM 0 HB1 ALA A 150 -6.348 -0.386 1.388 1.00 73.25 H new ATOM 0 HB2 ALA A 150 -6.696 -2.087 1.777 1.00 73.25 H new ATOM 0 HB3 ALA A 150 -5.998 -1.661 0.197 1.00 73.25 H new ATOM 2327 N ILE A 151 -7.654 -0.384 -1.879 1.00 74.20 N ATOM 2328 CA ILE A 151 -7.548 0.563 -3.013 1.00 4.02 C ATOM 2329 C ILE A 151 -8.944 0.826 -3.665 1.00 12.11 C ATOM 2330 O ILE A 151 -9.168 1.869 -4.290 1.00 73.42 O ATOM 2331 CB ILE A 151 -6.460 0.032 -4.034 1.00 3.21 C ATOM 2332 CG1 ILE A 151 -5.053 -0.035 -3.326 1.00 52.22 C ATOM 2333 CG2 ILE A 151 -6.393 0.893 -5.321 1.00 12.14 C ATOM 2334 CD1 ILE A 151 -3.996 -0.869 -4.039 1.00 54.33 C ATOM 0 H ILE A 151 -7.318 -1.320 -2.104 1.00 74.20 H new ATOM 0 HA ILE A 151 -7.213 1.537 -2.655 1.00 4.02 H new ATOM 0 HB ILE A 151 -6.754 -0.970 -4.345 1.00 3.21 H new ATOM 0 HG12 ILE A 151 -4.674 0.981 -3.214 1.00 52.22 H new ATOM 0 HG13 ILE A 151 -5.190 -0.436 -2.322 1.00 52.22 H new ATOM 0 HG21 ILE A 151 -5.633 0.489 -5.990 1.00 12.14 H new ATOM 0 HG22 ILE A 151 -7.362 0.876 -5.821 1.00 12.14 H new ATOM 0 HG23 ILE A 151 -6.138 1.920 -5.059 1.00 12.14 H new ATOM 0 HD11 ILE A 151 -3.068 -0.847 -3.467 1.00 54.33 H new ATOM 0 HD12 ILE A 151 -4.343 -1.898 -4.127 1.00 54.33 H new ATOM 0 HD13 ILE A 151 -3.819 -0.459 -5.033 1.00 54.33 H new ATOM 2346 N GLU A 152 -9.883 -0.120 -3.470 1.00 15.44 N ATOM 2347 CA GLU A 152 -11.328 0.094 -3.745 1.00 34.11 C ATOM 2348 C GLU A 152 -11.959 1.062 -2.713 1.00 31.23 C ATOM 2349 O GLU A 152 -12.851 1.839 -3.051 1.00 14.44 O ATOM 2350 CB GLU A 152 -12.084 -1.267 -3.719 1.00 15.50 C ATOM 2351 CG GLU A 152 -11.759 -2.217 -4.898 1.00 43.14 C ATOM 2352 CD GLU A 152 -12.574 -1.934 -6.177 1.00 23.22 C ATOM 2353 OE1 GLU A 152 -12.532 -0.796 -6.687 1.00 52.35 O ATOM 2354 OE2 GLU A 152 -13.260 -2.855 -6.676 1.00 3.42 O ATOM 0 H GLU A 152 -9.668 -1.053 -3.119 1.00 15.44 H new ATOM 0 HA GLU A 152 -11.418 0.542 -4.734 1.00 34.11 H new ATOM 0 HB2 GLU A 152 -11.850 -1.778 -2.785 1.00 15.50 H new ATOM 0 HB3 GLU A 152 -13.156 -1.070 -3.715 1.00 15.50 H new ATOM 0 HG2 GLU A 152 -10.697 -2.139 -5.132 1.00 43.14 H new ATOM 0 HG3 GLU A 152 -11.941 -3.245 -4.584 1.00 43.14 H new ATOM 2361 N GLN A 153 -11.472 1.008 -1.460 1.00 72.02 N ATOM 2362 CA GLN A 153 -11.996 1.832 -0.342 1.00 2.11 C ATOM 2363 C GLN A 153 -11.472 3.285 -0.385 1.00 35.43 C ATOM 2364 O GLN A 153 -11.994 4.140 0.327 1.00 11.22 O ATOM 2365 CB GLN A 153 -11.626 1.179 1.012 1.00 74.20 C ATOM 2366 CG GLN A 153 -12.227 -0.223 1.235 1.00 61.32 C ATOM 2367 CD GLN A 153 -11.642 -0.970 2.439 1.00 23.31 C ATOM 2368 OE1 GLN A 153 -11.514 -2.184 2.417 1.00 61.10 O ATOM 2369 NE2 GLN A 153 -11.315 -0.266 3.511 1.00 12.01 N ATOM 0 H GLN A 153 -10.704 0.394 -1.188 1.00 72.02 H new ATOM 0 HA GLN A 153 -13.080 1.875 -0.451 1.00 2.11 H new ATOM 0 HB2 GLN A 153 -10.540 1.110 1.082 1.00 74.20 H new ATOM 0 HB3 GLN A 153 -11.956 1.834 1.818 1.00 74.20 H new ATOM 0 HG2 GLN A 153 -13.305 -0.128 1.369 1.00 61.32 H new ATOM 0 HG3 GLN A 153 -12.069 -0.821 0.338 1.00 61.32 H new ATOM 0 HE21 GLN A 153 -11.429 0.748 3.510 1.00 12.01 H new ATOM 0 HE22 GLN A 153 -10.949 -0.737 4.338 1.00 12.01 H new ATOM 2378 N ILE A 154 -10.436 3.556 -1.211 1.00 13.22 N ATOM 2379 CA ILE A 154 -9.931 4.935 -1.438 1.00 10.13 C ATOM 2380 C ILE A 154 -11.039 5.834 -2.030 1.00 21.22 C ATOM 2381 O ILE A 154 -11.170 7.004 -1.658 1.00 73.52 O ATOM 2382 CB ILE A 154 -8.693 4.957 -2.397 1.00 45.24 C ATOM 2383 CG1 ILE A 154 -7.516 4.132 -1.800 1.00 21.12 C ATOM 2384 CG2 ILE A 154 -8.252 6.415 -2.706 1.00 41.53 C ATOM 2385 CD1 ILE A 154 -6.290 4.024 -2.693 1.00 44.45 C ATOM 0 H ILE A 154 -9.931 2.840 -1.733 1.00 13.22 H new ATOM 0 HA ILE A 154 -9.623 5.318 -0.465 1.00 10.13 H new ATOM 0 HB ILE A 154 -8.987 4.492 -3.338 1.00 45.24 H new ATOM 0 HG12 ILE A 154 -7.219 4.583 -0.853 1.00 21.12 H new ATOM 0 HG13 ILE A 154 -7.873 3.127 -1.576 1.00 21.12 H new ATOM 0 HG21 ILE A 154 -7.391 6.401 -3.374 1.00 41.53 H new ATOM 0 HG22 ILE A 154 -9.073 6.950 -3.184 1.00 41.53 H new ATOM 0 HG23 ILE A 154 -7.983 6.918 -1.777 1.00 41.53 H new ATOM 0 HD11 ILE A 154 -5.525 3.431 -2.191 1.00 44.45 H new ATOM 0 HD12 ILE A 154 -6.565 3.542 -3.631 1.00 44.45 H new ATOM 0 HD13 ILE A 154 -5.900 5.021 -2.898 1.00 44.45 H new ATOM 2397 N ASP A 155 -11.839 5.249 -2.935 1.00 70.41 N ATOM 2398 CA ASP A 155 -13.017 5.906 -3.540 1.00 62.24 C ATOM 2399 C ASP A 155 -14.005 6.371 -2.438 1.00 70.42 C ATOM 2400 O ASP A 155 -14.600 7.438 -2.535 1.00 51.45 O ATOM 2401 CB ASP A 155 -13.711 4.920 -4.518 1.00 21.51 C ATOM 2402 CG ASP A 155 -12.758 4.383 -5.607 1.00 11.44 C ATOM 2403 OD1 ASP A 155 -11.870 3.562 -5.287 1.00 4.25 O ATOM 2404 OD2 ASP A 155 -12.882 4.775 -6.786 1.00 41.00 O ATOM 0 H ASP A 155 -11.688 4.298 -3.273 1.00 70.41 H new ATOM 0 HA ASP A 155 -12.693 6.787 -4.093 1.00 62.24 H new ATOM 0 HB2 ASP A 155 -14.118 4.081 -3.953 1.00 21.51 H new ATOM 0 HB3 ASP A 155 -14.553 5.422 -4.995 1.00 21.51 H new ATOM 2409 N ALA A 156 -14.119 5.552 -1.374 1.00 3.13 N ATOM 2410 CA ALA A 156 -14.932 5.862 -0.176 1.00 70.54 C ATOM 2411 C ALA A 156 -14.281 6.952 0.722 1.00 34.40 C ATOM 2412 O ALA A 156 -14.971 7.652 1.443 1.00 74.52 O ATOM 2413 CB ALA A 156 -15.208 4.583 0.637 1.00 63.31 C ATOM 0 H ALA A 156 -13.647 4.649 -1.319 1.00 3.13 H new ATOM 0 HA ALA A 156 -15.879 6.269 -0.532 1.00 70.54 H new ATOM 0 HB1 ALA A 156 -15.807 4.831 1.513 1.00 63.31 H new ATOM 0 HB2 ALA A 156 -15.750 3.868 0.018 1.00 63.31 H new ATOM 0 HB3 ALA A 156 -14.263 4.143 0.956 1.00 63.31 H new ATOM 2419 N VAL A 157 -12.945 7.042 0.719 1.00 4.42 N ATOM 2420 CA VAL A 157 -12.203 8.054 1.532 1.00 31.13 C ATOM 2421 C VAL A 157 -12.295 9.468 0.895 1.00 35.53 C ATOM 2422 O VAL A 157 -12.379 10.481 1.599 1.00 41.30 O ATOM 2423 CB VAL A 157 -10.691 7.638 1.708 1.00 1.42 C ATOM 2424 CG1 VAL A 157 -9.881 8.678 2.536 1.00 33.33 C ATOM 2425 CG2 VAL A 157 -10.585 6.232 2.341 1.00 4.41 C ATOM 0 H VAL A 157 -12.342 6.432 0.167 1.00 4.42 H new ATOM 0 HA VAL A 157 -12.673 8.089 2.515 1.00 31.13 H new ATOM 0 HB VAL A 157 -10.248 7.612 0.712 1.00 1.42 H new ATOM 0 HG11 VAL A 157 -8.847 8.344 2.628 1.00 33.33 H new ATOM 0 HG12 VAL A 157 -9.907 9.644 2.032 1.00 33.33 H new ATOM 0 HG13 VAL A 157 -10.321 8.775 3.529 1.00 33.33 H new ATOM 0 HG21 VAL A 157 -9.535 5.962 2.455 1.00 4.41 H new ATOM 0 HG22 VAL A 157 -11.066 6.236 3.319 1.00 4.41 H new ATOM 0 HG23 VAL A 157 -11.079 5.505 1.697 1.00 4.41 H new ATOM 2435 N LEU A 158 -12.272 9.515 -0.444 1.00 14.40 N ATOM 2436 CA LEU A 158 -12.319 10.781 -1.208 1.00 11.22 C ATOM 2437 C LEU A 158 -13.771 11.300 -1.358 1.00 64.43 C ATOM 2438 O LEU A 158 -14.037 12.491 -1.170 1.00 21.01 O ATOM 2439 CB LEU A 158 -11.658 10.582 -2.597 1.00 5.10 C ATOM 2440 CG LEU A 158 -10.207 9.996 -2.579 1.00 10.24 C ATOM 2441 CD1 LEU A 158 -9.645 9.845 -3.999 1.00 0.33 C ATOM 2442 CD2 LEU A 158 -9.257 10.825 -1.688 1.00 11.31 C ATOM 0 H LEU A 158 -12.221 8.683 -1.031 1.00 14.40 H new ATOM 0 HA LEU A 158 -11.761 11.536 -0.654 1.00 11.22 H new ATOM 0 HB2 LEU A 158 -12.290 9.920 -3.189 1.00 5.10 H new ATOM 0 HB3 LEU A 158 -11.636 11.544 -3.110 1.00 5.10 H new ATOM 0 HG LEU A 158 -10.274 9.001 -2.139 1.00 10.24 H new ATOM 0 HD11 LEU A 158 -8.636 9.436 -3.949 1.00 0.33 H new ATOM 0 HD12 LEU A 158 -10.282 9.172 -4.573 1.00 0.33 H new ATOM 0 HD13 LEU A 158 -9.617 10.820 -4.485 1.00 0.33 H new ATOM 0 HD21 LEU A 158 -8.262 10.381 -1.706 1.00 11.31 H new ATOM 0 HD22 LEU A 158 -9.205 11.847 -2.063 1.00 11.31 H new ATOM 0 HD23 LEU A 158 -9.632 10.833 -0.665 1.00 11.31 H new ATOM 2454 N SER A 159 -14.695 10.381 -1.686 1.00 2.42 N ATOM 2455 CA SER A 159 -16.128 10.703 -1.933 1.00 23.22 C ATOM 2456 C SER A 159 -16.949 10.678 -0.624 1.00 41.54 C ATOM 2457 O SER A 159 -17.727 11.594 -0.335 1.00 5.31 O ATOM 2458 CB SER A 159 -16.735 9.668 -2.914 1.00 53.25 C ATOM 2459 OG SER A 159 -18.023 10.059 -3.369 1.00 30.31 O ATOM 0 H SER A 159 -14.478 9.390 -1.790 1.00 2.42 H new ATOM 0 HA SER A 159 -16.172 11.706 -2.356 1.00 23.22 H new ATOM 0 HB2 SER A 159 -16.070 9.545 -3.769 1.00 53.25 H new ATOM 0 HB3 SER A 159 -16.803 8.698 -2.421 1.00 53.25 H new ATOM 0 HG SER A 159 -18.371 9.382 -3.986 1.00 30.31 H new ATOM 2465 N GLU A 160 -16.725 9.603 0.144 1.00 13.40 N ATOM 2466 CA GLU A 160 -17.529 9.194 1.320 1.00 24.32 C ATOM 2467 C GLU A 160 -19.031 9.033 0.982 1.00 70.53 C ATOM 2468 O GLU A 160 -19.838 9.944 1.206 1.00 63.32 O ATOM 2469 CB GLU A 160 -17.299 10.104 2.554 1.00 71.32 C ATOM 2470 CG GLU A 160 -17.467 9.376 3.907 1.00 1.41 C ATOM 2471 CD GLU A 160 -17.390 10.302 5.134 1.00 63.42 C ATOM 2472 OE1 GLU A 160 -16.357 10.980 5.306 1.00 50.24 O ATOM 2473 OE2 GLU A 160 -18.351 10.338 5.941 1.00 45.03 O ATOM 0 H GLU A 160 -15.950 8.965 -0.038 1.00 13.40 H new ATOM 0 HA GLU A 160 -17.165 8.206 1.601 1.00 24.32 H new ATOM 0 HB2 GLU A 160 -16.295 10.525 2.501 1.00 71.32 H new ATOM 0 HB3 GLU A 160 -17.998 10.940 2.513 1.00 71.32 H new ATOM 0 HG2 GLU A 160 -18.428 8.862 3.913 1.00 1.41 H new ATOM 0 HG3 GLU A 160 -16.695 8.611 3.994 1.00 1.41 H new ATOM 2480 N PRO A 161 -19.407 7.872 0.368 1.00 63.43 N ATOM 2481 CA PRO A 161 -20.812 7.479 0.183 1.00 23.32 C ATOM 2482 C PRO A 161 -21.367 6.703 1.410 1.00 42.43 C ATOM 2483 O PRO A 161 -20.609 6.178 2.239 1.00 25.23 O ATOM 2484 CB PRO A 161 -20.723 6.575 -1.067 1.00 13.40 C ATOM 2485 CG PRO A 161 -19.429 5.845 -0.869 1.00 40.33 C ATOM 2486 CD PRO A 161 -18.487 6.867 -0.236 1.00 33.15 C ATOM 0 HA PRO A 161 -21.491 8.325 0.073 1.00 23.32 H new ATOM 0 HB2 PRO A 161 -21.567 5.889 -1.129 1.00 13.40 H new ATOM 0 HB3 PRO A 161 -20.719 7.159 -1.987 1.00 13.40 H new ATOM 0 HG2 PRO A 161 -19.561 4.977 -0.222 1.00 40.33 H new ATOM 0 HG3 PRO A 161 -19.034 5.479 -1.817 1.00 40.33 H new ATOM 0 HD2 PRO A 161 -17.846 6.408 0.517 1.00 33.15 H new ATOM 0 HD3 PRO A 161 -17.831 7.321 -0.979 1.00 33.15 H new ATOM 2494 N ALA A 162 -22.691 6.631 1.506 1.00 23.23 N ATOM 2495 CA ALA A 162 -23.399 5.879 2.573 1.00 23.44 C ATOM 2496 C ALA A 162 -23.729 4.436 2.125 1.00 15.42 C ATOM 2497 O ALA A 162 -24.811 3.908 2.409 1.00 3.30 O ATOM 2498 CB ALA A 162 -24.658 6.664 2.971 1.00 45.14 C ATOM 0 H ALA A 162 -23.320 7.091 0.848 1.00 23.23 H new ATOM 0 HA ALA A 162 -22.752 5.781 3.445 1.00 23.44 H new ATOM 0 HB1 ALA A 162 -25.190 6.125 3.755 1.00 45.14 H new ATOM 0 HB2 ALA A 162 -24.371 7.649 3.339 1.00 45.14 H new ATOM 0 HB3 ALA A 162 -25.307 6.776 2.102 1.00 45.14 H new ATOM 2504 N ASN A 163 -22.752 3.789 1.464 1.00 12.11 N ATOM 2505 CA ASN A 163 -22.912 2.428 0.908 1.00 74.24 C ATOM 2506 C ASN A 163 -21.547 1.710 0.757 1.00 65.13 C ATOM 2507 O ASN A 163 -21.314 0.982 -0.224 1.00 75.40 O ATOM 2508 CB ASN A 163 -23.676 2.504 -0.439 1.00 62.10 C ATOM 2509 CG ASN A 163 -23.061 3.489 -1.440 1.00 63.00 C ATOM 2510 OD1 ASN A 163 -23.447 4.652 -1.496 1.00 64.50 O ATOM 2511 ND2 ASN A 163 -22.092 3.043 -2.214 1.00 71.14 N ATOM 0 H ASN A 163 -21.830 4.192 1.299 1.00 12.11 H new ATOM 0 HA ASN A 163 -23.498 1.830 1.606 1.00 74.24 H new ATOM 0 HB2 ASN A 163 -23.702 1.511 -0.889 1.00 62.10 H new ATOM 0 HB3 ASN A 163 -24.709 2.794 -0.245 1.00 62.10 H new ATOM 0 HD21 ASN A 163 -21.643 3.670 -2.881 1.00 71.14 H new ATOM 0 HD22 ASN A 163 -21.791 2.071 -2.146 1.00 71.14 H new ATOM 2518 N ALA A 164 -20.670 1.885 1.764 1.00 63.31 N ATOM 2519 CA ALA A 164 -19.370 1.178 1.841 1.00 22.31 C ATOM 2520 C ALA A 164 -19.594 -0.339 2.069 1.00 31.13 C ATOM 2521 O ALA A 164 -19.723 -0.802 3.206 1.00 32.23 O ATOM 2522 CB ALA A 164 -18.498 1.804 2.942 1.00 10.20 C ATOM 0 H ALA A 164 -20.839 2.518 2.546 1.00 63.31 H new ATOM 0 HA ALA A 164 -18.840 1.288 0.895 1.00 22.31 H new ATOM 0 HB1 ALA A 164 -17.544 1.279 2.993 1.00 10.20 H new ATOM 0 HB2 ALA A 164 -18.322 2.855 2.713 1.00 10.20 H new ATOM 0 HB3 ALA A 164 -19.009 1.722 3.901 1.00 10.20 H new ATOM 2528 N LEU A 165 -19.693 -1.091 0.954 1.00 22.21 N ATOM 2529 CA LEU A 165 -20.139 -2.507 0.955 1.00 44.24 C ATOM 2530 C LEU A 165 -19.243 -3.387 0.045 1.00 1.32 C ATOM 2531 O LEU A 165 -19.727 -4.374 -0.516 1.00 60.41 O ATOM 2532 CB LEU A 165 -21.625 -2.582 0.464 1.00 1.11 C ATOM 2533 CG LEU A 165 -22.713 -1.927 1.372 1.00 65.31 C ATOM 2534 CD1 LEU A 165 -24.100 -1.974 0.694 1.00 41.32 C ATOM 2535 CD2 LEU A 165 -22.740 -2.585 2.769 1.00 61.22 C ATOM 0 H LEU A 165 -19.467 -0.737 0.025 1.00 22.21 H new ATOM 0 HA LEU A 165 -20.060 -2.889 1.973 1.00 44.24 H new ATOM 0 HB2 LEU A 165 -21.680 -2.114 -0.519 1.00 1.11 H new ATOM 0 HB3 LEU A 165 -21.884 -3.632 0.332 1.00 1.11 H new ATOM 0 HG LEU A 165 -22.451 -0.878 1.511 1.00 65.31 H new ATOM 0 HD11 LEU A 165 -24.840 -1.511 1.347 1.00 41.32 H new ATOM 0 HD12 LEU A 165 -24.061 -1.433 -0.251 1.00 41.32 H new ATOM 0 HD13 LEU A 165 -24.379 -3.011 0.507 1.00 41.32 H new ATOM 0 HD21 LEU A 165 -23.507 -2.109 3.380 1.00 61.22 H new ATOM 0 HD22 LEU A 165 -22.964 -3.647 2.667 1.00 61.22 H new ATOM 0 HD23 LEU A 165 -21.768 -2.464 3.247 1.00 61.22 H new ATOM 2547 N GLU A 166 -17.945 -3.040 -0.079 1.00 14.25 N ATOM 2548 CA GLU A 166 -16.983 -3.753 -0.970 1.00 22.24 C ATOM 2549 C GLU A 166 -16.941 -5.283 -0.659 1.00 75.53 C ATOM 2550 O GLU A 166 -16.358 -5.706 0.344 1.00 52.24 O ATOM 2551 CB GLU A 166 -15.568 -3.091 -0.885 1.00 31.03 C ATOM 2552 CG GLU A 166 -15.426 -1.738 -1.646 1.00 61.25 C ATOM 2553 CD GLU A 166 -16.304 -0.578 -1.104 1.00 61.21 C ATOM 2554 OE1 GLU A 166 -17.486 -0.445 -1.521 1.00 73.32 O ATOM 2555 OE2 GLU A 166 -15.814 0.220 -0.275 1.00 74.20 O ATOM 0 H GLU A 166 -17.527 -2.261 0.431 1.00 14.25 H new ATOM 0 HA GLU A 166 -17.330 -3.658 -1.999 1.00 22.24 H new ATOM 0 HB2 GLU A 166 -15.322 -2.928 0.164 1.00 31.03 H new ATOM 0 HB3 GLU A 166 -14.832 -3.791 -1.279 1.00 31.03 H new ATOM 0 HG2 GLU A 166 -14.382 -1.428 -1.611 1.00 61.25 H new ATOM 0 HG3 GLU A 166 -15.675 -1.902 -2.694 1.00 61.25 H new ATOM 2562 N HIS A 167 -17.615 -6.070 -1.547 1.00 74.14 N ATOM 2563 CA HIS A 167 -17.969 -7.501 -1.344 1.00 31.22 C ATOM 2564 C HIS A 167 -18.979 -7.664 -0.170 1.00 22.25 C ATOM 2565 O HIS A 167 -18.625 -7.525 1.005 1.00 43.43 O ATOM 2566 CB HIS A 167 -16.718 -8.412 -1.193 1.00 12.25 C ATOM 2567 CG HIS A 167 -15.912 -8.536 -2.462 1.00 61.54 C ATOM 2568 ND1 HIS A 167 -14.814 -7.763 -2.737 1.00 51.32 N ATOM 2569 CD2 HIS A 167 -16.059 -9.358 -3.533 1.00 0.24 C ATOM 2570 CE1 HIS A 167 -14.320 -8.095 -3.913 1.00 24.20 C ATOM 2571 NE2 HIS A 167 -15.052 -9.058 -4.416 1.00 72.02 N ATOM 0 H HIS A 167 -17.934 -5.713 -2.448 1.00 74.14 H new ATOM 0 HA HIS A 167 -18.468 -7.845 -2.250 1.00 31.22 H new ATOM 0 HB2 HIS A 167 -16.081 -8.014 -0.404 1.00 12.25 H new ATOM 0 HB3 HIS A 167 -17.037 -9.405 -0.875 1.00 12.25 H new ATOM 0 HD2 HIS A 167 -16.825 -10.108 -3.665 1.00 0.24 H new ATOM 0 HE1 HIS A 167 -13.457 -7.648 -4.383 1.00 24.20 H new ATOM 0 HE2 HIS A 167 -14.899 -9.511 -5.317 1.00 72.02 H new ATOM 2580 N HIS A 168 -20.243 -7.970 -0.521 1.00 22.04 N ATOM 2581 CA HIS A 168 -21.405 -7.897 0.396 1.00 52.21 C ATOM 2582 C HIS A 168 -22.357 -9.118 0.241 1.00 54.53 C ATOM 2583 O HIS A 168 -22.346 -9.796 -0.794 1.00 55.12 O ATOM 2584 CB HIS A 168 -22.170 -6.561 0.137 1.00 20.23 C ATOM 2585 CG HIS A 168 -22.403 -6.240 -1.335 1.00 13.43 C ATOM 2586 ND1 HIS A 168 -22.012 -5.055 -1.923 1.00 74.13 N ATOM 2587 CD2 HIS A 168 -22.987 -6.954 -2.331 1.00 40.11 C ATOM 2588 CE1 HIS A 168 -22.340 -5.055 -3.194 1.00 71.40 C ATOM 2589 NE2 HIS A 168 -22.930 -6.192 -3.467 1.00 34.44 N ATOM 0 H HIS A 168 -20.493 -8.279 -1.460 1.00 22.04 H new ATOM 0 HA HIS A 168 -21.036 -7.922 1.421 1.00 52.21 H new ATOM 0 HB2 HIS A 168 -23.134 -6.606 0.643 1.00 20.23 H new ATOM 0 HB3 HIS A 168 -21.610 -5.743 0.590 1.00 20.23 H new ATOM 0 HD1 HIS A 168 -21.538 -4.291 -1.441 1.00 74.13 H new ATOM 0 HD2 HIS A 168 -23.417 -7.941 -2.243 1.00 40.11 H new ATOM 0 HE1 HIS A 168 -22.155 -4.254 -3.895 1.00 71.40 H new ATOM 2598 N HIS A 169 -23.186 -9.352 1.286 1.00 3.43 N ATOM 2599 CA HIS A 169 -24.223 -10.429 1.344 1.00 44.23 C ATOM 2600 C HIS A 169 -23.623 -11.865 1.319 1.00 5.11 C ATOM 2601 O HIS A 169 -24.324 -12.826 0.987 1.00 41.00 O ATOM 2602 CB HIS A 169 -25.295 -10.252 0.220 1.00 23.03 C ATOM 2603 CG HIS A 169 -26.099 -8.979 0.316 1.00 32.12 C ATOM 2604 ND1 HIS A 169 -27.340 -8.910 0.911 1.00 23.03 N ATOM 2605 CD2 HIS A 169 -25.844 -7.729 -0.135 1.00 14.21 C ATOM 2606 CE1 HIS A 169 -27.808 -7.682 0.818 1.00 51.20 C ATOM 2607 NE2 HIS A 169 -26.921 -6.943 0.187 1.00 15.15 N ATOM 0 H HIS A 169 -23.158 -8.788 2.136 1.00 3.43 H new ATOM 0 HA HIS A 169 -24.714 -10.317 2.311 1.00 44.23 H new ATOM 0 HB2 HIS A 169 -24.795 -10.279 -0.748 1.00 23.03 H new ATOM 0 HB3 HIS A 169 -25.978 -11.101 0.250 1.00 23.03 H new ATOM 0 HD2 HIS A 169 -24.953 -7.408 -0.655 1.00 14.21 H new ATOM 0 HE1 HIS A 169 -28.760 -7.339 1.196 1.00 51.20 H new ATOM 0 HE2 HIS A 169 -27.018 -5.950 -0.027 1.00 15.15 H new ATOM 2616 N HIS A 170 -22.342 -12.014 1.708 1.00 63.35 N ATOM 2617 CA HIS A 170 -21.659 -13.333 1.744 1.00 22.24 C ATOM 2618 C HIS A 170 -21.724 -13.951 3.166 1.00 74.45 C ATOM 2619 O HIS A 170 -21.234 -13.356 4.134 1.00 14.53 O ATOM 2620 CB HIS A 170 -20.191 -13.192 1.273 1.00 54.10 C ATOM 2621 CG HIS A 170 -20.066 -12.708 -0.146 1.00 20.14 C ATOM 2622 ND1 HIS A 170 -20.348 -13.508 -1.227 1.00 15.41 N ATOM 2623 CD2 HIS A 170 -19.723 -11.501 -0.663 1.00 23.43 C ATOM 2624 CE1 HIS A 170 -20.191 -12.826 -2.339 1.00 52.55 C ATOM 2625 NE2 HIS A 170 -19.814 -11.608 -2.029 1.00 41.41 N ATOM 0 H HIS A 170 -21.752 -11.236 2.004 1.00 63.35 H new ATOM 0 HA HIS A 170 -22.177 -14.007 1.062 1.00 22.24 H new ATOM 0 HB2 HIS A 170 -19.670 -12.499 1.933 1.00 54.10 H new ATOM 0 HB3 HIS A 170 -19.692 -14.157 1.366 1.00 54.10 H new ATOM 0 HD2 HIS A 170 -19.433 -10.623 -0.106 1.00 23.43 H new ATOM 0 HE1 HIS A 170 -20.346 -13.204 -3.339 1.00 52.55 H new ATOM 0 HE2 HIS A 170 -19.620 -10.861 -2.696 1.00 41.41 H new ATOM 2634 N HIS A 171 -22.336 -15.150 3.269 1.00 71.50 N ATOM 2635 CA HIS A 171 -22.545 -15.861 4.547 1.00 71.43 C ATOM 2636 C HIS A 171 -21.208 -16.421 5.109 1.00 33.24 C ATOM 2637 O HIS A 171 -20.696 -17.432 4.619 1.00 44.11 O ATOM 2638 CB HIS A 171 -23.579 -17.004 4.336 1.00 5.03 C ATOM 2639 CG HIS A 171 -23.917 -17.792 5.577 1.00 4.33 C ATOM 2640 ND1 HIS A 171 -23.240 -18.933 5.943 1.00 13.41 N ATOM 2641 CD2 HIS A 171 -24.857 -17.602 6.534 1.00 44.23 C ATOM 2642 CE1 HIS A 171 -23.741 -19.409 7.063 1.00 55.05 C ATOM 2643 NE2 HIS A 171 -24.723 -18.622 7.446 1.00 72.25 N ATOM 0 H HIS A 171 -22.701 -15.655 2.461 1.00 71.50 H new ATOM 0 HA HIS A 171 -22.932 -15.155 5.282 1.00 71.43 H new ATOM 0 HB2 HIS A 171 -24.497 -16.574 3.935 1.00 5.03 H new ATOM 0 HB3 HIS A 171 -23.192 -17.690 3.582 1.00 5.03 H new ATOM 0 HD2 HIS A 171 -25.578 -16.799 6.573 1.00 44.23 H new ATOM 0 HE1 HIS A 171 -23.403 -20.295 7.580 1.00 55.05 H new ATOM 0 HE2 HIS A 171 -25.292 -18.748 8.283 1.00 72.25 H new ATOM 2652 N HIS A 172 -20.647 -15.730 6.120 1.00 34.32 N ATOM 2653 CA HIS A 172 -19.432 -16.170 6.839 1.00 22.21 C ATOM 2654 C HIS A 172 -19.494 -15.717 8.309 1.00 22.44 C ATOM 2655 O HIS A 172 -19.586 -14.525 8.608 1.00 61.34 O ATOM 2656 CB HIS A 172 -18.149 -15.629 6.132 1.00 20.11 C ATOM 2657 CG HIS A 172 -16.852 -16.148 6.711 1.00 2.04 C ATOM 2658 ND1 HIS A 172 -16.354 -17.403 6.428 1.00 61.13 N ATOM 2659 CD2 HIS A 172 -15.963 -15.588 7.573 1.00 5.55 C ATOM 2660 CE1 HIS A 172 -15.232 -17.595 7.085 1.00 44.23 C ATOM 2661 NE2 HIS A 172 -14.970 -16.513 7.786 1.00 23.21 N ATOM 0 H HIS A 172 -21.024 -14.847 6.464 1.00 34.32 H new ATOM 0 HA HIS A 172 -19.385 -17.259 6.821 1.00 22.21 H new ATOM 0 HB2 HIS A 172 -18.192 -15.893 5.075 1.00 20.11 H new ATOM 0 HB3 HIS A 172 -18.149 -14.541 6.189 1.00 20.11 H new ATOM 0 HD2 HIS A 172 -16.025 -14.602 8.008 1.00 5.55 H new ATOM 0 HE1 HIS A 172 -14.628 -18.489 7.055 1.00 44.23 H new ATOM 0 HE2 HIS A 172 -14.159 -16.382 8.391 1.00 23.21 H new TER 2670 HIS A 172