USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1184 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 127 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 147 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Set 2.1: A 80 THR OG1 : rot 130:sc= 0 USER MOD Set 2.2: A 109 HIS : no HE2:sc= -0.98 K(o=-0.98,f=-2.1!) USER MOD Single : A 4 SER OG : rot -102:sc= 0.114 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0.905 (180deg=0.871) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0.681 (180deg=0.681) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.202 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= -0.735 X(o=-0.73,f=-0.98) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0931 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 79:sc= 0.112 USER MOD Single : A 64 TYR OH : rot -134:sc= 0.411 USER MOD Single : A 65 MET CE :methyl -162:sc= -0.155 (180deg=-0.689) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= -0.677 (180deg=-1.9!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0442 K(o=-0.044,f=-1.5) USER MOD Single : A 98 HIS : no HD1:sc= -0.0012 X(o=-0.0012,f=0) USER MOD Single : A 108 THR OG1 : rot 36:sc= -0.603 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.561 K(o=-0.56,f=-1.1) USER MOD Single : A 121 THR OG1 : rot 83:sc= 0.284 USER MOD Single : A 123 MET CE :methyl 137:sc= -0.701 (180deg=-3.34!) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot -60:sc= -0.369 USER MOD Single : A 131 SER OG : rot 180:sc=-0.00829 USER MOD Single : A 134 GLN : amide:sc=-0.00408 K(o=-0.0041,f=-3.4) USER MOD Single : A 135 MET CE :methyl -164:sc= -0.425 (180deg=-0.888) USER MOD Single : A 136 GLN : amide:sc= -0.368 K(o=-0.37,f=-3.3!) USER MOD Single : A 137 LYS NZ :NH3+ -153:sc= 0.556 (180deg=-0.291) USER MOD Single : A 138 MET CE :methyl 162:sc= -2.33 (180deg=-3.03) USER MOD Single : A 141 MET CE :methyl -159:sc= -0.0941 (180deg=-0.886) USER MOD Single : A 143 MET CE :methyl 158:sc= 0 (180deg=-0.701) USER MOD Single : A 153 GLN :FLIP amide:sc= -1.54! C(o=-3.3!,f=-1.5!) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -9.964 0.832 -8.853 1.00 64.43 N ATOM 18 CA VAL A 2 -9.000 -0.134 -9.427 1.00 22.24 C ATOM 19 C VAL A 2 -9.381 -0.432 -10.903 1.00 41.12 C ATOM 20 O VAL A 2 -10.212 -1.302 -11.193 1.00 53.24 O ATOM 21 CB VAL A 2 -8.830 -1.456 -8.585 1.00 12.11 C ATOM 22 CG1 VAL A 2 -7.861 -2.448 -9.279 1.00 23.44 C ATOM 23 CG2 VAL A 2 -8.350 -1.131 -7.149 1.00 64.01 C ATOM 0 HA VAL A 2 -8.018 0.337 -9.391 1.00 22.24 H new ATOM 0 HB VAL A 2 -9.806 -1.938 -8.521 1.00 12.11 H new ATOM 0 HG11 VAL A 2 -7.766 -3.349 -8.672 1.00 23.44 H new ATOM 0 HG12 VAL A 2 -8.252 -2.712 -10.261 1.00 23.44 H new ATOM 0 HG13 VAL A 2 -6.882 -1.982 -9.392 1.00 23.44 H new ATOM 0 HG21 VAL A 2 -8.239 -2.057 -6.584 1.00 64.01 H new ATOM 0 HG22 VAL A 2 -7.390 -0.616 -7.194 1.00 64.01 H new ATOM 0 HG23 VAL A 2 -9.082 -0.491 -6.657 1.00 64.01 H new ATOM 33 N VAL A 3 -8.809 0.366 -11.817 1.00 15.02 N ATOM 34 CA VAL A 3 -9.104 0.293 -13.265 1.00 41.01 C ATOM 35 C VAL A 3 -8.287 -0.820 -13.979 1.00 14.13 C ATOM 36 O VAL A 3 -8.698 -1.313 -15.033 1.00 62.22 O ATOM 37 CB VAL A 3 -8.885 1.701 -13.953 1.00 32.24 C ATOM 38 CG1 VAL A 3 -9.975 2.710 -13.510 1.00 41.14 C ATOM 39 CG2 VAL A 3 -7.481 2.276 -13.640 1.00 22.52 C ATOM 0 H VAL A 3 -8.126 1.084 -11.577 1.00 15.02 H new ATOM 0 HA VAL A 3 -10.155 0.022 -13.368 1.00 41.01 H new ATOM 0 HB VAL A 3 -8.960 1.547 -15.029 1.00 32.24 H new ATOM 0 HG11 VAL A 3 -9.802 3.670 -13.997 1.00 41.14 H new ATOM 0 HG12 VAL A 3 -10.957 2.332 -13.793 1.00 41.14 H new ATOM 0 HG13 VAL A 3 -9.933 2.839 -12.428 1.00 41.14 H new ATOM 0 HG21 VAL A 3 -7.367 3.243 -14.129 1.00 22.52 H new ATOM 0 HG22 VAL A 3 -7.370 2.399 -12.563 1.00 22.52 H new ATOM 0 HG23 VAL A 3 -6.717 1.591 -14.008 1.00 22.52 H new ATOM 49 N SER A 4 -7.150 -1.227 -13.379 1.00 23.02 N ATOM 50 CA SER A 4 -6.279 -2.303 -13.923 1.00 43.43 C ATOM 51 C SER A 4 -5.448 -2.970 -12.803 1.00 0.33 C ATOM 52 O SER A 4 -5.151 -2.346 -11.784 1.00 23.22 O ATOM 53 CB SER A 4 -5.326 -1.743 -15.012 1.00 14.11 C ATOM 54 OG SER A 4 -4.462 -2.753 -15.526 1.00 23.34 O ATOM 0 H SER A 4 -6.806 -0.825 -12.507 1.00 23.02 H new ATOM 0 HA SER A 4 -6.930 -3.054 -14.370 1.00 43.43 H new ATOM 0 HB2 SER A 4 -5.913 -1.318 -15.826 1.00 14.11 H new ATOM 0 HB3 SER A 4 -4.730 -0.933 -14.592 1.00 14.11 H new ATOM 0 HG SER A 4 -3.570 -2.652 -15.132 1.00 23.34 H new ATOM 60 N VAL A 5 -5.101 -4.260 -12.999 1.00 73.33 N ATOM 61 CA VAL A 5 -4.158 -5.009 -12.126 1.00 62.20 C ATOM 62 C VAL A 5 -3.121 -5.742 -13.013 1.00 51.23 C ATOM 63 O VAL A 5 -3.489 -6.532 -13.885 1.00 44.33 O ATOM 64 CB VAL A 5 -4.885 -6.059 -11.190 1.00 71.35 C ATOM 65 CG1 VAL A 5 -3.868 -6.857 -10.329 1.00 54.51 C ATOM 66 CG2 VAL A 5 -5.938 -5.377 -10.285 1.00 33.22 C ATOM 0 H VAL A 5 -5.467 -4.818 -13.770 1.00 73.33 H new ATOM 0 HA VAL A 5 -3.672 -4.283 -11.474 1.00 62.20 H new ATOM 0 HB VAL A 5 -5.401 -6.762 -11.843 1.00 71.35 H new ATOM 0 HG11 VAL A 5 -4.403 -7.568 -9.699 1.00 54.51 H new ATOM 0 HG12 VAL A 5 -3.182 -7.396 -10.982 1.00 54.51 H new ATOM 0 HG13 VAL A 5 -3.304 -6.168 -9.700 1.00 54.51 H new ATOM 0 HG21 VAL A 5 -6.418 -6.127 -9.656 1.00 33.22 H new ATOM 0 HG22 VAL A 5 -5.450 -4.633 -9.655 1.00 33.22 H new ATOM 0 HG23 VAL A 5 -6.690 -4.889 -10.905 1.00 33.22 H new ATOM 76 N ASP A 6 -1.830 -5.459 -12.785 1.00 24.21 N ATOM 77 CA ASP A 6 -0.701 -6.066 -13.527 1.00 41.21 C ATOM 78 C ASP A 6 0.233 -6.830 -12.565 1.00 1.35 C ATOM 79 O ASP A 6 0.549 -6.341 -11.483 1.00 44.14 O ATOM 80 CB ASP A 6 0.092 -4.955 -14.260 1.00 35.43 C ATOM 81 CG ASP A 6 -0.790 -4.167 -15.243 1.00 3.51 C ATOM 82 OD1 ASP A 6 -1.443 -3.185 -14.814 1.00 12.05 O ATOM 83 OD2 ASP A 6 -0.846 -4.532 -16.434 1.00 22.43 O ATOM 0 H ASP A 6 -1.531 -4.794 -12.072 1.00 24.21 H new ATOM 0 HA ASP A 6 -1.098 -6.773 -14.256 1.00 41.21 H new ATOM 0 HB2 ASP A 6 0.518 -4.270 -13.527 1.00 35.43 H new ATOM 0 HB3 ASP A 6 0.926 -5.402 -14.801 1.00 35.43 H new ATOM 88 N LYS A 7 0.679 -8.027 -12.968 1.00 15.21 N ATOM 89 CA LYS A 7 1.620 -8.847 -12.171 1.00 41.43 C ATOM 90 C LYS A 7 2.741 -9.402 -13.072 1.00 35.22 C ATOM 91 O LYS A 7 2.463 -10.090 -14.058 1.00 72.44 O ATOM 92 CB LYS A 7 0.854 -10.003 -11.485 1.00 3.55 C ATOM 93 CG LYS A 7 1.714 -10.892 -10.555 1.00 51.22 C ATOM 94 CD LYS A 7 0.886 -12.015 -9.901 1.00 51.03 C ATOM 95 CE LYS A 7 1.712 -12.918 -8.977 1.00 2.34 C ATOM 96 NZ LYS A 7 0.880 -14.005 -8.406 1.00 60.23 N ATOM 0 H LYS A 7 0.403 -8.458 -13.850 1.00 15.21 H new ATOM 0 HA LYS A 7 2.076 -8.222 -11.403 1.00 41.43 H new ATOM 0 HB2 LYS A 7 0.034 -9.582 -10.904 1.00 3.55 H new ATOM 0 HB3 LYS A 7 0.409 -10.632 -12.256 1.00 3.55 H new ATOM 0 HG2 LYS A 7 2.531 -11.331 -11.127 1.00 51.22 H new ATOM 0 HG3 LYS A 7 2.164 -10.274 -9.778 1.00 51.22 H new ATOM 0 HD2 LYS A 7 0.071 -11.570 -9.330 1.00 51.03 H new ATOM 0 HD3 LYS A 7 0.432 -12.624 -10.682 1.00 51.03 H new ATOM 0 HE2 LYS A 7 2.545 -13.348 -9.534 1.00 2.34 H new ATOM 0 HE3 LYS A 7 2.141 -12.323 -8.171 1.00 2.34 H new ATOM 0 HZ1 LYS A 7 1.484 -14.658 -7.867 1.00 60.23 H new ATOM 0 HZ2 LYS A 7 0.162 -13.597 -7.774 1.00 60.23 H new ATOM 0 HZ3 LYS A 7 0.410 -14.523 -9.176 1.00 60.23 H new ATOM 110 N ASP A 8 4.006 -9.111 -12.723 1.00 2.22 N ATOM 111 CA ASP A 8 5.182 -9.620 -13.458 1.00 54.11 C ATOM 112 C ASP A 8 6.148 -10.335 -12.479 1.00 51.24 C ATOM 113 O ASP A 8 6.878 -9.688 -11.721 1.00 32.11 O ATOM 114 CB ASP A 8 5.893 -8.466 -14.215 1.00 4.13 C ATOM 115 CG ASP A 8 6.878 -8.988 -15.278 1.00 11.15 C ATOM 116 OD1 ASP A 8 8.037 -9.284 -14.940 1.00 52.23 O ATOM 117 OD2 ASP A 8 6.475 -9.149 -16.452 1.00 14.35 O ATOM 0 H ASP A 8 4.244 -8.519 -11.927 1.00 2.22 H new ATOM 0 HA ASP A 8 4.852 -10.346 -14.201 1.00 54.11 H new ATOM 0 HB2 ASP A 8 5.146 -7.833 -14.694 1.00 4.13 H new ATOM 0 HB3 ASP A 8 6.429 -7.841 -13.501 1.00 4.13 H new ATOM 122 N VAL A 9 6.141 -11.678 -12.520 1.00 50.02 N ATOM 123 CA VAL A 9 6.921 -12.538 -11.594 1.00 63.34 C ATOM 124 C VAL A 9 8.435 -12.546 -11.946 1.00 35.14 C ATOM 125 O VAL A 9 9.285 -12.721 -11.068 1.00 65.12 O ATOM 126 CB VAL A 9 6.334 -14.003 -11.587 1.00 4.02 C ATOM 127 CG1 VAL A 9 7.110 -14.942 -10.626 1.00 4.34 C ATOM 128 CG2 VAL A 9 4.822 -13.979 -11.229 1.00 43.40 C ATOM 0 H VAL A 9 5.593 -12.207 -13.198 1.00 50.02 H new ATOM 0 HA VAL A 9 6.830 -12.118 -10.592 1.00 63.34 H new ATOM 0 HB VAL A 9 6.454 -14.406 -12.593 1.00 4.02 H new ATOM 0 HG11 VAL A 9 6.669 -15.938 -10.656 1.00 4.34 H new ATOM 0 HG12 VAL A 9 8.154 -14.998 -10.936 1.00 4.34 H new ATOM 0 HG13 VAL A 9 7.053 -14.551 -9.610 1.00 4.34 H new ATOM 0 HG21 VAL A 9 4.432 -14.997 -11.228 1.00 43.40 H new ATOM 0 HG22 VAL A 9 4.689 -13.539 -10.241 1.00 43.40 H new ATOM 0 HG23 VAL A 9 4.283 -13.384 -11.966 1.00 43.40 H new ATOM 138 N GLU A 10 8.754 -12.305 -13.226 1.00 11.35 N ATOM 139 CA GLU A 10 10.153 -12.265 -13.724 1.00 0.43 C ATOM 140 C GLU A 10 10.929 -11.065 -13.138 1.00 22.32 C ATOM 141 O GLU A 10 12.100 -11.181 -12.767 1.00 2.14 O ATOM 142 CB GLU A 10 10.149 -12.203 -15.269 1.00 35.33 C ATOM 143 CG GLU A 10 9.426 -13.383 -15.945 1.00 40.35 C ATOM 144 CD GLU A 10 9.278 -13.211 -17.467 1.00 51.14 C ATOM 145 OE1 GLU A 10 8.516 -12.318 -17.896 1.00 23.11 O ATOM 146 OE2 GLU A 10 9.932 -13.945 -18.239 1.00 30.51 O ATOM 0 H GLU A 10 8.057 -12.132 -13.950 1.00 11.35 H new ATOM 0 HA GLU A 10 10.661 -13.173 -13.397 1.00 0.43 H new ATOM 0 HB2 GLU A 10 9.675 -11.273 -15.583 1.00 35.33 H new ATOM 0 HB3 GLU A 10 11.179 -12.171 -15.623 1.00 35.33 H new ATOM 0 HG2 GLU A 10 9.975 -14.302 -15.741 1.00 40.35 H new ATOM 0 HG3 GLU A 10 8.437 -13.498 -15.501 1.00 40.35 H new ATOM 153 N ALA A 11 10.246 -9.914 -13.058 1.00 51.52 N ATOM 154 CA ALA A 11 10.791 -8.670 -12.467 1.00 30.30 C ATOM 155 C ALA A 11 10.402 -8.524 -10.974 1.00 35.32 C ATOM 156 O ALA A 11 10.690 -7.491 -10.358 1.00 64.01 O ATOM 157 CB ALA A 11 10.301 -7.461 -13.280 1.00 52.14 C ATOM 0 H ALA A 11 9.291 -9.813 -13.403 1.00 51.52 H new ATOM 0 HA ALA A 11 11.879 -8.717 -12.508 1.00 30.30 H new ATOM 0 HB1 ALA A 11 10.701 -6.545 -12.846 1.00 52.14 H new ATOM 0 HB2 ALA A 11 10.642 -7.554 -14.311 1.00 52.14 H new ATOM 0 HB3 ALA A 11 9.212 -7.426 -13.260 1.00 52.14 H new ATOM 163 N LEU A 12 9.734 -9.567 -10.421 1.00 73.54 N ATOM 164 CA LEU A 12 9.330 -9.657 -8.992 1.00 63.52 C ATOM 165 C LEU A 12 8.411 -8.495 -8.544 1.00 34.43 C ATOM 166 O LEU A 12 8.348 -8.166 -7.370 1.00 22.44 O ATOM 167 CB LEU A 12 10.591 -9.772 -8.076 1.00 52.21 C ATOM 168 CG LEU A 12 11.500 -11.008 -8.351 1.00 51.51 C ATOM 169 CD1 LEU A 12 12.743 -11.018 -7.442 1.00 74.11 C ATOM 170 CD2 LEU A 12 10.700 -12.311 -8.200 1.00 24.22 C ATOM 0 H LEU A 12 9.455 -10.384 -10.964 1.00 73.54 H new ATOM 0 HA LEU A 12 8.734 -10.564 -8.888 1.00 63.52 H new ATOM 0 HB2 LEU A 12 11.189 -8.868 -8.193 1.00 52.21 H new ATOM 0 HB3 LEU A 12 10.264 -9.806 -7.037 1.00 52.21 H new ATOM 0 HG LEU A 12 11.853 -10.935 -9.380 1.00 51.51 H new ATOM 0 HD11 LEU A 12 13.350 -11.895 -7.665 1.00 74.11 H new ATOM 0 HD12 LEU A 12 13.330 -10.116 -7.618 1.00 74.11 H new ATOM 0 HD13 LEU A 12 12.430 -11.049 -6.398 1.00 74.11 H new ATOM 0 HD21 LEU A 12 11.351 -13.163 -8.396 1.00 24.22 H new ATOM 0 HD22 LEU A 12 10.306 -12.381 -7.186 1.00 24.22 H new ATOM 0 HD23 LEU A 12 9.874 -12.315 -8.911 1.00 24.22 H new ATOM 182 N SER A 13 7.655 -7.920 -9.482 1.00 40.45 N ATOM 183 CA SER A 13 6.804 -6.740 -9.219 1.00 25.34 C ATOM 184 C SER A 13 5.307 -7.082 -9.336 1.00 11.02 C ATOM 185 O SER A 13 4.911 -7.972 -10.095 1.00 54.15 O ATOM 186 CB SER A 13 7.171 -5.598 -10.190 1.00 32.35 C ATOM 187 OG SER A 13 7.118 -6.018 -11.549 1.00 1.00 O ATOM 0 H SER A 13 7.610 -8.252 -10.445 1.00 40.45 H new ATOM 0 HA SER A 13 6.988 -6.415 -8.195 1.00 25.34 H new ATOM 0 HB2 SER A 13 6.488 -4.762 -10.042 1.00 32.35 H new ATOM 0 HB3 SER A 13 8.173 -5.235 -9.961 1.00 32.35 H new ATOM 0 HG SER A 13 7.355 -5.267 -12.133 1.00 1.00 H new ATOM 193 N PHE A 14 4.487 -6.362 -8.563 1.00 21.24 N ATOM 194 CA PHE A 14 3.023 -6.456 -8.612 1.00 14.42 C ATOM 195 C PHE A 14 2.418 -5.032 -8.571 1.00 54.10 C ATOM 196 O PHE A 14 2.411 -4.376 -7.533 1.00 5.34 O ATOM 197 CB PHE A 14 2.508 -7.333 -7.437 1.00 74.45 C ATOM 198 CG PHE A 14 0.987 -7.402 -7.357 1.00 61.13 C ATOM 199 CD1 PHE A 14 0.252 -8.043 -8.353 1.00 3.12 C ATOM 200 CD2 PHE A 14 0.294 -6.808 -6.303 1.00 61.22 C ATOM 201 CE1 PHE A 14 -1.123 -8.081 -8.305 1.00 42.33 C ATOM 202 CE2 PHE A 14 -1.079 -6.851 -6.257 1.00 74.35 C ATOM 203 CZ PHE A 14 -1.789 -7.485 -7.256 1.00 42.40 C ATOM 0 H PHE A 14 4.826 -5.688 -7.876 1.00 21.24 H new ATOM 0 HA PHE A 14 2.710 -6.934 -9.540 1.00 14.42 H new ATOM 0 HB2 PHE A 14 2.905 -8.342 -7.545 1.00 74.45 H new ATOM 0 HB3 PHE A 14 2.897 -6.936 -6.499 1.00 74.45 H new ATOM 0 HD1 PHE A 14 0.769 -8.517 -9.174 1.00 3.12 H new ATOM 0 HD2 PHE A 14 0.841 -6.310 -5.516 1.00 61.22 H new ATOM 0 HE1 PHE A 14 -1.679 -8.577 -9.087 1.00 42.33 H new ATOM 0 HE2 PHE A 14 -1.604 -6.387 -5.436 1.00 74.35 H new ATOM 0 HZ PHE A 14 -2.868 -7.514 -7.216 1.00 42.40 H new ATOM 213 N SER A 15 1.909 -4.574 -9.717 1.00 63.24 N ATOM 214 CA SER A 15 1.361 -3.212 -9.886 1.00 31.33 C ATOM 215 C SER A 15 -0.181 -3.212 -9.847 1.00 62.23 C ATOM 216 O SER A 15 -0.817 -4.063 -10.457 1.00 32.42 O ATOM 217 CB SER A 15 1.849 -2.636 -11.231 1.00 32.41 C ATOM 218 OG SER A 15 1.323 -1.343 -11.475 1.00 25.31 O ATOM 0 H SER A 15 1.862 -5.138 -10.566 1.00 63.24 H new ATOM 0 HA SER A 15 1.713 -2.594 -9.060 1.00 31.33 H new ATOM 0 HB2 SER A 15 2.938 -2.591 -11.233 1.00 32.41 H new ATOM 0 HB3 SER A 15 1.556 -3.305 -12.040 1.00 32.41 H new ATOM 0 HG SER A 15 1.656 -1.011 -12.335 1.00 25.31 H new ATOM 224 N ILE A 16 -0.782 -2.255 -9.122 1.00 2.21 N ATOM 225 CA ILE A 16 -2.245 -2.017 -9.152 1.00 32.53 C ATOM 226 C ILE A 16 -2.519 -0.567 -9.587 1.00 0.12 C ATOM 227 O ILE A 16 -2.053 0.381 -8.948 1.00 51.33 O ATOM 228 CB ILE A 16 -2.933 -2.299 -7.764 1.00 24.32 C ATOM 229 CG1 ILE A 16 -2.712 -3.781 -7.338 1.00 11.40 C ATOM 230 CG2 ILE A 16 -4.452 -1.955 -7.807 1.00 62.15 C ATOM 231 CD1 ILE A 16 -3.266 -4.140 -5.972 1.00 0.12 C ATOM 0 H ILE A 16 -0.276 -1.625 -8.500 1.00 2.21 H new ATOM 0 HA ILE A 16 -2.676 -2.716 -9.869 1.00 32.53 H new ATOM 0 HB ILE A 16 -2.469 -1.653 -7.019 1.00 24.32 H new ATOM 0 HG12 ILE A 16 -3.171 -4.431 -8.083 1.00 11.40 H new ATOM 0 HG13 ILE A 16 -1.643 -3.991 -7.347 1.00 11.40 H new ATOM 0 HG21 ILE A 16 -4.899 -2.160 -6.834 1.00 62.15 H new ATOM 0 HG22 ILE A 16 -4.579 -0.900 -8.050 1.00 62.15 H new ATOM 0 HG23 ILE A 16 -4.942 -2.564 -8.567 1.00 62.15 H new ATOM 0 HD11 ILE A 16 -3.065 -5.191 -5.762 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -2.790 -3.521 -5.212 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -4.342 -3.967 -5.959 1.00 0.12 H new ATOM 243 N VAL A 17 -3.277 -0.415 -10.677 1.00 12.51 N ATOM 244 CA VAL A 17 -3.654 0.892 -11.232 1.00 21.44 C ATOM 245 C VAL A 17 -5.112 1.219 -10.829 1.00 34.01 C ATOM 246 O VAL A 17 -6.016 0.406 -11.028 1.00 42.34 O ATOM 247 CB VAL A 17 -3.515 0.900 -12.799 1.00 55.01 C ATOM 248 CG1 VAL A 17 -3.689 2.329 -13.377 1.00 11.11 C ATOM 249 CG2 VAL A 17 -2.168 0.274 -13.238 1.00 60.20 C ATOM 0 H VAL A 17 -3.651 -1.203 -11.206 1.00 12.51 H new ATOM 0 HA VAL A 17 -2.982 1.650 -10.829 1.00 21.44 H new ATOM 0 HB VAL A 17 -4.318 0.286 -13.207 1.00 55.01 H new ATOM 0 HG11 VAL A 17 -3.587 2.298 -14.462 1.00 11.11 H new ATOM 0 HG12 VAL A 17 -4.677 2.709 -13.116 1.00 11.11 H new ATOM 0 HG13 VAL A 17 -2.926 2.986 -12.960 1.00 11.11 H new ATOM 0 HG21 VAL A 17 -2.096 0.291 -14.325 1.00 60.20 H new ATOM 0 HG22 VAL A 17 -1.344 0.846 -12.811 1.00 60.20 H new ATOM 0 HG23 VAL A 17 -2.114 -0.757 -12.887 1.00 60.20 H new ATOM 259 N ALA A 18 -5.330 2.413 -10.279 1.00 64.15 N ATOM 260 CA ALA A 18 -6.645 2.880 -9.809 1.00 35.32 C ATOM 261 C ALA A 18 -6.797 4.361 -10.152 1.00 35.05 C ATOM 262 O ALA A 18 -5.801 5.075 -10.237 1.00 13.32 O ATOM 263 CB ALA A 18 -6.776 2.648 -8.299 1.00 0.31 C ATOM 0 H ALA A 18 -4.588 3.099 -10.143 1.00 64.15 H new ATOM 0 HA ALA A 18 -7.438 2.319 -10.303 1.00 35.32 H new ATOM 0 HB1 ALA A 18 -7.752 2.997 -7.961 1.00 0.31 H new ATOM 0 HB2 ALA A 18 -6.676 1.584 -8.084 1.00 0.31 H new ATOM 0 HB3 ALA A 18 -5.993 3.198 -7.777 1.00 0.31 H new ATOM 269 N GLU A 19 -8.028 4.839 -10.342 1.00 35.52 N ATOM 270 CA GLU A 19 -8.260 6.213 -10.835 1.00 72.53 C ATOM 271 C GLU A 19 -9.383 6.891 -10.025 1.00 2.24 C ATOM 272 O GLU A 19 -10.481 6.356 -9.917 1.00 44.03 O ATOM 273 CB GLU A 19 -8.603 6.133 -12.343 1.00 64.40 C ATOM 274 CG GLU A 19 -8.489 7.456 -13.097 1.00 41.11 C ATOM 275 CD GLU A 19 -8.824 7.312 -14.589 1.00 14.14 C ATOM 276 OE1 GLU A 19 -10.008 7.097 -14.921 1.00 70.24 O ATOM 277 OE2 GLU A 19 -7.915 7.390 -15.437 1.00 65.32 O ATOM 0 H GLU A 19 -8.879 4.305 -10.166 1.00 35.52 H new ATOM 0 HA GLU A 19 -7.366 6.823 -10.706 1.00 72.53 H new ATOM 0 HB2 GLU A 19 -7.942 5.405 -12.813 1.00 64.40 H new ATOM 0 HB3 GLU A 19 -9.620 5.756 -12.450 1.00 64.40 H new ATOM 0 HG2 GLU A 19 -9.160 8.187 -12.646 1.00 41.11 H new ATOM 0 HG3 GLU A 19 -7.476 7.845 -12.991 1.00 41.11 H new ATOM 284 N PHE A 20 -9.108 8.082 -9.467 1.00 42.23 N ATOM 285 CA PHE A 20 -9.997 8.743 -8.478 1.00 52.11 C ATOM 286 C PHE A 20 -10.317 10.199 -8.889 1.00 41.55 C ATOM 287 O PHE A 20 -9.457 10.904 -9.431 1.00 21.35 O ATOM 288 CB PHE A 20 -9.336 8.713 -7.073 1.00 3.13 C ATOM 289 CG PHE A 20 -8.994 7.299 -6.594 1.00 21.11 C ATOM 290 CD1 PHE A 20 -10.003 6.413 -6.202 1.00 13.33 C ATOM 291 CD2 PHE A 20 -7.670 6.852 -6.545 1.00 61.43 C ATOM 292 CE1 PHE A 20 -9.698 5.128 -5.794 1.00 20.20 C ATOM 293 CE2 PHE A 20 -7.370 5.570 -6.134 1.00 34.53 C ATOM 294 CZ PHE A 20 -8.382 4.709 -5.752 1.00 53.24 C ATOM 0 H PHE A 20 -8.267 8.618 -9.683 1.00 42.23 H new ATOM 0 HA PHE A 20 -10.938 8.194 -8.447 1.00 52.11 H new ATOM 0 HB2 PHE A 20 -8.425 9.312 -7.095 1.00 3.13 H new ATOM 0 HB3 PHE A 20 -10.008 9.180 -6.353 1.00 3.13 H new ATOM 0 HD1 PHE A 20 -11.033 6.737 -6.218 1.00 13.33 H new ATOM 0 HD2 PHE A 20 -6.871 7.520 -6.833 1.00 61.43 H new ATOM 0 HE1 PHE A 20 -10.489 4.451 -5.508 1.00 20.20 H new ATOM 0 HE2 PHE A 20 -6.343 5.238 -6.111 1.00 34.53 H new ATOM 0 HZ PHE A 20 -8.144 3.709 -5.421 1.00 53.24 H new ATOM 304 N ASP A 21 -11.568 10.634 -8.623 1.00 42.00 N ATOM 305 CA ASP A 21 -12.032 12.004 -8.910 1.00 3.43 C ATOM 306 C ASP A 21 -11.594 12.968 -7.777 1.00 14.41 C ATOM 307 O ASP A 21 -12.347 13.224 -6.828 1.00 43.11 O ATOM 308 CB ASP A 21 -13.573 11.993 -9.101 1.00 41.21 C ATOM 309 CG ASP A 21 -14.135 13.315 -9.654 1.00 10.31 C ATOM 310 OD1 ASP A 21 -14.494 14.208 -8.859 1.00 12.53 O ATOM 311 OD2 ASP A 21 -14.238 13.461 -10.892 1.00 5.42 O ATOM 0 H ASP A 21 -12.284 10.042 -8.202 1.00 42.00 H new ATOM 0 HA ASP A 21 -11.578 12.366 -9.832 1.00 3.43 H new ATOM 0 HB2 ASP A 21 -13.841 11.182 -9.779 1.00 41.21 H new ATOM 0 HB3 ASP A 21 -14.048 11.778 -8.144 1.00 41.21 H new ATOM 316 N ALA A 22 -10.349 13.463 -7.890 1.00 25.10 N ATOM 317 CA ALA A 22 -9.690 14.300 -6.859 1.00 1.22 C ATOM 318 C ALA A 22 -8.318 14.784 -7.360 1.00 23.12 C ATOM 319 O ALA A 22 -7.727 14.139 -8.219 1.00 55.14 O ATOM 320 CB ALA A 22 -9.506 13.488 -5.564 1.00 24.22 C ATOM 0 H ALA A 22 -9.762 13.294 -8.707 1.00 25.10 H new ATOM 0 HA ALA A 22 -10.321 15.166 -6.659 1.00 1.22 H new ATOM 0 HB1 ALA A 22 -9.021 14.109 -4.811 1.00 24.22 H new ATOM 0 HB2 ALA A 22 -10.480 13.165 -5.196 1.00 24.22 H new ATOM 0 HB3 ALA A 22 -8.887 12.614 -5.767 1.00 24.22 H new ATOM 326 N ASP A 23 -7.774 15.879 -6.784 1.00 53.03 N ATOM 327 CA ASP A 23 -6.429 16.374 -7.179 1.00 53.34 C ATOM 328 C ASP A 23 -5.322 15.495 -6.562 1.00 52.04 C ATOM 329 O ASP A 23 -5.587 14.662 -5.681 1.00 74.12 O ATOM 330 CB ASP A 23 -6.217 17.863 -6.798 1.00 22.45 C ATOM 331 CG ASP A 23 -6.435 18.141 -5.307 1.00 14.41 C ATOM 332 OD1 ASP A 23 -7.595 18.382 -4.908 1.00 34.41 O ATOM 333 OD2 ASP A 23 -5.457 18.103 -4.526 1.00 43.33 O ATOM 0 H ASP A 23 -8.232 16.430 -6.058 1.00 53.03 H new ATOM 0 HA ASP A 23 -6.369 16.306 -8.265 1.00 53.34 H new ATOM 0 HB2 ASP A 23 -5.205 18.161 -7.072 1.00 22.45 H new ATOM 0 HB3 ASP A 23 -6.900 18.481 -7.380 1.00 22.45 H new ATOM 338 N VAL A 24 -4.088 15.716 -7.027 1.00 11.44 N ATOM 339 CA VAL A 24 -2.916 14.891 -6.666 1.00 74.12 C ATOM 340 C VAL A 24 -2.620 14.936 -5.150 1.00 12.21 C ATOM 341 O VAL A 24 -2.307 13.913 -4.551 1.00 71.41 O ATOM 342 CB VAL A 24 -1.662 15.339 -7.502 1.00 71.41 C ATOM 343 CG1 VAL A 24 -0.410 14.496 -7.188 1.00 73.45 C ATOM 344 CG2 VAL A 24 -1.969 15.285 -9.008 1.00 25.21 C ATOM 0 H VAL A 24 -3.866 16.476 -7.670 1.00 11.44 H new ATOM 0 HA VAL A 24 -3.149 13.854 -6.910 1.00 74.12 H new ATOM 0 HB VAL A 24 -1.443 16.367 -7.213 1.00 71.41 H new ATOM 0 HG11 VAL A 24 0.426 14.847 -7.792 1.00 73.45 H new ATOM 0 HG12 VAL A 24 -0.161 14.594 -6.131 1.00 73.45 H new ATOM 0 HG13 VAL A 24 -0.609 13.449 -7.418 1.00 73.45 H new ATOM 0 HG21 VAL A 24 -1.089 15.599 -9.570 1.00 25.21 H new ATOM 0 HG22 VAL A 24 -2.235 14.266 -9.289 1.00 25.21 H new ATOM 0 HG23 VAL A 24 -2.801 15.952 -9.234 1.00 25.21 H new ATOM 354 N LYS A 25 -2.768 16.124 -4.538 1.00 65.44 N ATOM 355 CA LYS A 25 -2.606 16.305 -3.071 1.00 32.12 C ATOM 356 C LYS A 25 -3.762 15.675 -2.256 1.00 23.12 C ATOM 357 O LYS A 25 -3.559 15.261 -1.115 1.00 14.42 O ATOM 358 CB LYS A 25 -2.452 17.815 -2.715 1.00 42.52 C ATOM 359 CG LYS A 25 -1.035 18.410 -2.972 1.00 24.34 C ATOM 360 CD LYS A 25 -0.225 18.694 -1.675 1.00 44.11 C ATOM 361 CE LYS A 25 -0.038 17.462 -0.765 1.00 12.12 C ATOM 362 NZ LYS A 25 0.726 17.791 0.462 1.00 62.43 N ATOM 0 H LYS A 25 -3.001 16.984 -5.035 1.00 65.44 H new ATOM 0 HA LYS A 25 -1.695 15.775 -2.792 1.00 32.12 H new ATOM 0 HB2 LYS A 25 -3.179 18.385 -3.293 1.00 42.52 H new ATOM 0 HB3 LYS A 25 -2.702 17.952 -1.663 1.00 42.52 H new ATOM 0 HG2 LYS A 25 -0.470 17.719 -3.597 1.00 24.34 H new ATOM 0 HG3 LYS A 25 -1.138 19.338 -3.535 1.00 24.34 H new ATOM 0 HD2 LYS A 25 0.756 19.081 -1.950 1.00 44.11 H new ATOM 0 HD3 LYS A 25 -0.729 19.477 -1.109 1.00 44.11 H new ATOM 0 HE2 LYS A 25 -1.014 17.063 -0.489 1.00 12.12 H new ATOM 0 HE3 LYS A 25 0.482 16.679 -1.317 1.00 12.12 H new ATOM 0 HZ1 LYS A 25 0.830 16.937 1.046 1.00 62.43 H new ATOM 0 HZ2 LYS A 25 1.667 18.147 0.200 1.00 62.43 H new ATOM 0 HZ3 LYS A 25 0.218 18.520 1.002 1.00 62.43 H new ATOM 376 N ARG A 26 -4.965 15.620 -2.851 1.00 60.45 N ATOM 377 CA ARG A 26 -6.172 15.056 -2.197 1.00 33.23 C ATOM 378 C ARG A 26 -6.037 13.512 -2.081 1.00 40.22 C ATOM 379 O ARG A 26 -6.400 12.919 -1.058 1.00 62.23 O ATOM 380 CB ARG A 26 -7.439 15.485 -3.004 1.00 32.14 C ATOM 381 CG ARG A 26 -8.803 15.436 -2.253 1.00 23.13 C ATOM 382 CD ARG A 26 -9.351 14.016 -2.021 1.00 72.11 C ATOM 383 NE ARG A 26 -10.681 14.015 -1.388 1.00 22.51 N ATOM 384 CZ ARG A 26 -10.947 13.548 -0.192 1.00 41.25 C ATOM 385 NH1 ARG A 26 -10.002 13.112 0.585 1.00 2.15 N ATOM 386 NH2 ARG A 26 -12.164 13.540 0.236 1.00 63.10 N ATOM 0 H ARG A 26 -5.135 15.963 -3.797 1.00 60.45 H new ATOM 0 HA ARG A 26 -6.274 15.445 -1.184 1.00 33.23 H new ATOM 0 HB2 ARG A 26 -7.285 16.503 -3.361 1.00 32.14 H new ATOM 0 HB3 ARG A 26 -7.513 14.846 -3.884 1.00 32.14 H new ATOM 0 HG2 ARG A 26 -8.691 15.931 -1.288 1.00 23.13 H new ATOM 0 HG3 ARG A 26 -9.537 16.007 -2.821 1.00 23.13 H new ATOM 0 HD2 ARG A 26 -9.407 13.493 -2.975 1.00 72.11 H new ATOM 0 HD3 ARG A 26 -8.654 13.460 -1.393 1.00 72.11 H new ATOM 0 HE ARG A 26 -11.456 14.408 -1.922 1.00 22.51 H new ATOM 0 HH11 ARG A 26 -9.033 13.129 0.268 1.00 2.15 H new ATOM 0 HH12 ARG A 26 -10.229 12.753 1.512 1.00 2.15 H new ATOM 0 HH21 ARG A 26 -12.915 13.896 -0.355 1.00 63.10 H new ATOM 0 HH22 ARG A 26 -12.375 13.178 1.166 1.00 63.10 H new ATOM 400 N VAL A 27 -5.508 12.879 -3.147 1.00 50.34 N ATOM 401 CA VAL A 27 -5.212 11.425 -3.156 1.00 12.42 C ATOM 402 C VAL A 27 -3.922 11.131 -2.335 1.00 4.13 C ATOM 403 O VAL A 27 -3.791 10.074 -1.734 1.00 31.44 O ATOM 404 CB VAL A 27 -5.074 10.857 -4.623 1.00 41.14 C ATOM 405 CG1 VAL A 27 -5.010 9.300 -4.622 1.00 1.20 C ATOM 406 CG2 VAL A 27 -6.226 11.361 -5.534 1.00 43.15 C ATOM 0 H VAL A 27 -5.274 13.352 -4.020 1.00 50.34 H new ATOM 0 HA VAL A 27 -6.056 10.917 -2.690 1.00 12.42 H new ATOM 0 HB VAL A 27 -4.135 11.232 -5.031 1.00 41.14 H new ATOM 0 HG11 VAL A 27 -4.915 8.939 -5.646 1.00 1.20 H new ATOM 0 HG12 VAL A 27 -4.149 8.972 -4.040 1.00 1.20 H new ATOM 0 HG13 VAL A 27 -5.921 8.899 -4.179 1.00 1.20 H new ATOM 0 HG21 VAL A 27 -6.102 10.952 -6.537 1.00 43.15 H new ATOM 0 HG22 VAL A 27 -7.182 11.035 -5.125 1.00 43.15 H new ATOM 0 HG23 VAL A 27 -6.203 12.450 -5.581 1.00 43.15 H new ATOM 416 N TRP A 28 -2.972 12.089 -2.332 1.00 1.12 N ATOM 417 CA TRP A 28 -1.744 12.033 -1.485 1.00 74.52 C ATOM 418 C TRP A 28 -2.078 12.123 0.025 1.00 44.41 C ATOM 419 O TRP A 28 -1.331 11.609 0.859 1.00 12.23 O ATOM 420 CB TRP A 28 -0.783 13.186 -1.887 1.00 60.33 C ATOM 421 CG TRP A 28 0.550 13.213 -1.169 1.00 32.14 C ATOM 422 CD1 TRP A 28 0.888 13.969 -0.077 1.00 62.12 C ATOM 423 CD2 TRP A 28 1.724 12.464 -1.508 1.00 73.11 C ATOM 424 NE1 TRP A 28 2.184 13.728 0.278 1.00 33.01 N ATOM 425 CE2 TRP A 28 2.721 12.814 -0.587 1.00 40.01 C ATOM 426 CE3 TRP A 28 2.026 11.531 -2.504 1.00 43.41 C ATOM 427 CZ2 TRP A 28 3.997 12.271 -0.632 1.00 72.54 C ATOM 428 CZ3 TRP A 28 3.293 10.998 -2.551 1.00 55.45 C ATOM 429 CH2 TRP A 28 4.266 11.368 -1.617 1.00 72.32 C ATOM 0 H TRP A 28 -3.027 12.926 -2.913 1.00 1.12 H new ATOM 0 HA TRP A 28 -1.262 11.071 -1.656 1.00 74.52 H new ATOM 0 HB2 TRP A 28 -0.596 13.121 -2.959 1.00 60.33 H new ATOM 0 HB3 TRP A 28 -1.290 14.135 -1.709 1.00 60.33 H new ATOM 0 HD1 TRP A 28 0.225 14.656 0.429 1.00 62.12 H new ATOM 0 HE1 TRP A 28 2.673 14.160 1.062 1.00 33.01 H new ATOM 0 HE3 TRP A 28 1.278 11.234 -3.224 1.00 43.41 H new ATOM 0 HZ2 TRP A 28 4.751 12.554 0.088 1.00 72.54 H new ATOM 0 HZ3 TRP A 28 3.540 10.283 -3.321 1.00 55.45 H new ATOM 0 HH2 TRP A 28 5.251 10.929 -1.677 1.00 72.32 H new ATOM 440 N ALA A 29 -3.198 12.791 0.351 1.00 41.24 N ATOM 441 CA ALA A 29 -3.648 13.014 1.746 1.00 1.22 C ATOM 442 C ALA A 29 -3.878 11.702 2.533 1.00 32.33 C ATOM 443 O ALA A 29 -3.701 11.672 3.751 1.00 44.22 O ATOM 444 CB ALA A 29 -4.918 13.866 1.746 1.00 65.13 C ATOM 0 H ALA A 29 -3.823 13.196 -0.346 1.00 41.24 H new ATOM 0 HA ALA A 29 -2.844 13.539 2.261 1.00 1.22 H new ATOM 0 HB1 ALA A 29 -5.247 14.029 2.772 1.00 65.13 H new ATOM 0 HB2 ALA A 29 -4.712 14.827 1.275 1.00 65.13 H new ATOM 0 HB3 ALA A 29 -5.702 13.351 1.191 1.00 65.13 H new ATOM 450 N ILE A 30 -4.264 10.619 1.827 1.00 2.32 N ATOM 451 CA ILE A 30 -4.440 9.285 2.454 1.00 54.15 C ATOM 452 C ILE A 30 -3.076 8.693 2.891 1.00 34.21 C ATOM 453 O ILE A 30 -3.012 7.908 3.812 1.00 3.21 O ATOM 454 CB ILE A 30 -5.186 8.271 1.503 1.00 14.42 C ATOM 455 CG1 ILE A 30 -4.269 7.813 0.324 1.00 43.31 C ATOM 456 CG2 ILE A 30 -6.504 8.887 0.988 1.00 20.12 C ATOM 457 CD1 ILE A 30 -4.908 6.908 -0.708 1.00 34.43 C ATOM 0 H ILE A 30 -4.460 10.638 0.826 1.00 2.32 H new ATOM 0 HA ILE A 30 -5.064 9.434 3.335 1.00 54.15 H new ATOM 0 HB ILE A 30 -5.431 7.380 2.081 1.00 14.42 H new ATOM 0 HG12 ILE A 30 -3.895 8.702 -0.184 1.00 43.31 H new ATOM 0 HG13 ILE A 30 -3.404 7.298 0.743 1.00 43.31 H new ATOM 0 HG21 ILE A 30 -7.007 8.175 0.333 1.00 20.12 H new ATOM 0 HG22 ILE A 30 -7.151 9.122 1.833 1.00 20.12 H new ATOM 0 HG23 ILE A 30 -6.287 9.800 0.433 1.00 20.12 H new ATOM 0 HD11 ILE A 30 -4.176 6.657 -1.475 1.00 34.43 H new ATOM 0 HD12 ILE A 30 -5.255 5.994 -0.226 1.00 34.43 H new ATOM 0 HD13 ILE A 30 -5.754 7.420 -1.167 1.00 34.43 H new ATOM 469 N TRP A 31 -1.995 9.082 2.194 1.00 0.30 N ATOM 470 CA TRP A 31 -0.618 8.633 2.505 1.00 15.12 C ATOM 471 C TRP A 31 0.038 9.523 3.578 1.00 53.45 C ATOM 472 O TRP A 31 0.751 9.028 4.457 1.00 10.23 O ATOM 473 CB TRP A 31 0.231 8.644 1.207 1.00 12.00 C ATOM 474 CG TRP A 31 -0.312 7.727 0.131 1.00 55.33 C ATOM 475 CD1 TRP A 31 -0.957 8.079 -1.031 1.00 35.10 C ATOM 476 CD2 TRP A 31 -0.265 6.293 0.142 1.00 11.13 C ATOM 477 NE1 TRP A 31 -1.308 6.950 -1.728 1.00 15.54 N ATOM 478 CE2 TRP A 31 -0.890 5.844 -1.031 1.00 35.23 C ATOM 479 CE3 TRP A 31 0.251 5.348 1.038 1.00 5.15 C ATOM 480 CZ2 TRP A 31 -1.012 4.493 -1.333 1.00 34.11 C ATOM 481 CZ3 TRP A 31 0.131 4.009 0.737 1.00 72.14 C ATOM 482 CH2 TRP A 31 -0.490 3.591 -0.442 1.00 64.33 C ATOM 0 H TRP A 31 -2.046 9.717 1.398 1.00 0.30 H new ATOM 0 HA TRP A 31 -0.668 7.620 2.905 1.00 15.12 H new ATOM 0 HB2 TRP A 31 0.277 9.662 0.819 1.00 12.00 H new ATOM 0 HB3 TRP A 31 1.252 8.348 1.446 1.00 12.00 H new ATOM 0 HD1 TRP A 31 -1.157 9.092 -1.348 1.00 35.10 H new ATOM 0 HE1 TRP A 31 -1.801 6.935 -2.621 1.00 15.54 H new ATOM 0 HE3 TRP A 31 0.735 5.664 1.950 1.00 5.15 H new ATOM 0 HZ2 TRP A 31 -1.501 4.165 -2.238 1.00 34.11 H new ATOM 0 HZ3 TRP A 31 0.523 3.272 1.423 1.00 72.14 H new ATOM 0 HH2 TRP A 31 -0.561 2.535 -0.656 1.00 64.33 H new ATOM 493 N GLU A 32 -0.223 10.837 3.483 1.00 31.11 N ATOM 494 CA GLU A 32 0.399 11.861 4.345 1.00 14.01 C ATOM 495 C GLU A 32 -0.207 11.853 5.768 1.00 30.22 C ATOM 496 O GLU A 32 0.517 11.951 6.766 1.00 12.14 O ATOM 497 CB GLU A 32 0.249 13.259 3.684 1.00 42.11 C ATOM 498 CG GLU A 32 1.062 14.373 4.369 1.00 11.23 C ATOM 499 CD GLU A 32 0.921 15.745 3.690 1.00 70.43 C ATOM 500 OE1 GLU A 32 1.466 15.932 2.581 1.00 31.22 O ATOM 501 OE2 GLU A 32 0.263 16.641 4.259 1.00 42.41 O ATOM 0 H GLU A 32 -0.876 11.224 2.801 1.00 31.11 H new ATOM 0 HA GLU A 32 1.458 11.627 4.449 1.00 14.01 H new ATOM 0 HB2 GLU A 32 0.557 13.190 2.641 1.00 42.11 H new ATOM 0 HB3 GLU A 32 -0.804 13.539 3.688 1.00 42.11 H new ATOM 0 HG2 GLU A 32 0.744 14.457 5.408 1.00 11.23 H new ATOM 0 HG3 GLU A 32 2.114 14.089 4.380 1.00 11.23 H new ATOM 508 N ASP A 33 -1.543 11.748 5.844 1.00 32.11 N ATOM 509 CA ASP A 33 -2.274 11.674 7.122 1.00 44.14 C ATOM 510 C ASP A 33 -2.401 10.205 7.612 1.00 52.44 C ATOM 511 O ASP A 33 -3.046 9.390 6.942 1.00 24.34 O ATOM 512 CB ASP A 33 -3.671 12.318 6.967 1.00 43.30 C ATOM 513 CG ASP A 33 -3.595 13.819 6.659 1.00 43.31 C ATOM 514 OD1 ASP A 33 -3.497 14.621 7.613 1.00 15.53 O ATOM 515 OD2 ASP A 33 -3.608 14.209 5.474 1.00 14.31 O ATOM 0 H ASP A 33 -2.148 11.712 5.023 1.00 32.11 H new ATOM 0 HA ASP A 33 -1.710 12.226 7.874 1.00 44.14 H new ATOM 0 HB2 ASP A 33 -4.213 11.813 6.168 1.00 43.30 H new ATOM 0 HB3 ASP A 33 -4.241 12.167 7.884 1.00 43.30 H new ATOM 520 N PRO A 34 -1.774 9.849 8.791 1.00 1.25 N ATOM 521 CA PRO A 34 -1.884 8.493 9.407 1.00 51.04 C ATOM 522 C PRO A 34 -3.345 8.011 9.597 1.00 31.30 C ATOM 523 O PRO A 34 -3.663 6.853 9.314 1.00 74.20 O ATOM 524 CB PRO A 34 -1.175 8.655 10.787 1.00 30.25 C ATOM 525 CG PRO A 34 -0.983 10.137 10.970 1.00 54.04 C ATOM 526 CD PRO A 34 -0.864 10.714 9.585 1.00 3.14 C ATOM 0 HA PRO A 34 -1.436 7.735 8.764 1.00 51.04 H new ATOM 0 HB2 PRO A 34 -1.780 8.236 11.591 1.00 30.25 H new ATOM 0 HB3 PRO A 34 -0.219 8.131 10.801 1.00 30.25 H new ATOM 0 HG2 PRO A 34 -1.825 10.576 11.505 1.00 54.04 H new ATOM 0 HG3 PRO A 34 -0.089 10.345 11.558 1.00 54.04 H new ATOM 0 HD2 PRO A 34 -1.170 11.760 9.554 1.00 3.14 H new ATOM 0 HD3 PRO A 34 0.160 10.671 9.215 1.00 3.14 H new ATOM 534 N ARG A 35 -4.213 8.920 10.083 1.00 74.30 N ATOM 535 CA ARG A 35 -5.642 8.629 10.323 1.00 64.44 C ATOM 536 C ARG A 35 -6.393 8.272 9.003 1.00 70.04 C ATOM 537 O ARG A 35 -7.217 7.352 8.976 1.00 33.02 O ATOM 538 CB ARG A 35 -6.322 9.837 11.023 1.00 74.53 C ATOM 539 CG ARG A 35 -7.697 9.511 11.658 1.00 32.14 C ATOM 540 CD ARG A 35 -7.579 8.501 12.827 1.00 22.13 C ATOM 541 NE ARG A 35 -6.766 9.042 13.939 1.00 30.03 N ATOM 542 CZ ARG A 35 -5.917 8.370 14.687 1.00 34.31 C ATOM 543 NH1 ARG A 35 -5.685 7.113 14.489 1.00 24.22 N ATOM 544 NH2 ARG A 35 -5.279 8.981 15.627 1.00 2.31 N ATOM 0 H ARG A 35 -3.945 9.875 10.320 1.00 74.30 H new ATOM 0 HA ARG A 35 -5.698 7.757 10.975 1.00 64.44 H new ATOM 0 HB2 ARG A 35 -5.656 10.215 11.799 1.00 74.53 H new ATOM 0 HB3 ARG A 35 -6.451 10.639 10.296 1.00 74.53 H new ATOM 0 HG2 ARG A 35 -8.155 10.431 12.021 1.00 32.14 H new ATOM 0 HG3 ARG A 35 -8.360 9.104 10.895 1.00 32.14 H new ATOM 0 HD2 ARG A 35 -8.575 8.250 13.193 1.00 22.13 H new ATOM 0 HD3 ARG A 35 -7.130 7.576 12.465 1.00 22.13 H new ATOM 0 HE ARG A 35 -6.875 10.035 14.146 1.00 30.03 H new ATOM 0 HH11 ARG A 35 -6.165 6.618 13.738 1.00 24.22 H new ATOM 0 HH12 ARG A 35 -5.022 6.617 15.084 1.00 24.22 H new ATOM 0 HH21 ARG A 35 -5.435 9.977 15.785 1.00 2.31 H new ATOM 0 HH22 ARG A 35 -4.619 8.469 16.212 1.00 2.31 H new ATOM 558 N GLN A 36 -6.091 9.013 7.914 1.00 73.52 N ATOM 559 CA GLN A 36 -6.669 8.753 6.567 1.00 0.02 C ATOM 560 C GLN A 36 -6.041 7.512 5.890 1.00 11.15 C ATOM 561 O GLN A 36 -6.624 6.964 4.958 1.00 32.13 O ATOM 562 CB GLN A 36 -6.516 9.994 5.649 1.00 62.51 C ATOM 563 CG GLN A 36 -7.286 11.240 6.129 1.00 32.31 C ATOM 564 CD GLN A 36 -7.215 12.415 5.150 1.00 60.35 C ATOM 565 OE1 GLN A 36 -7.106 12.238 3.939 1.00 54.32 O ATOM 566 NE2 GLN A 36 -7.294 13.622 5.664 1.00 15.53 N ATOM 0 H GLN A 36 -5.446 9.803 7.938 1.00 73.52 H new ATOM 0 HA GLN A 36 -7.729 8.548 6.715 1.00 0.02 H new ATOM 0 HB2 GLN A 36 -5.458 10.244 5.570 1.00 62.51 H new ATOM 0 HB3 GLN A 36 -6.858 9.734 4.647 1.00 62.51 H new ATOM 0 HG2 GLN A 36 -8.331 10.973 6.289 1.00 32.31 H new ATOM 0 HG3 GLN A 36 -6.887 11.555 7.093 1.00 32.31 H new ATOM 0 HE21 GLN A 36 -7.384 13.742 6.673 1.00 15.53 H new ATOM 0 HE22 GLN A 36 -7.265 14.439 5.054 1.00 15.53 H new ATOM 575 N LEU A 37 -4.844 7.110 6.335 1.00 24.11 N ATOM 576 CA LEU A 37 -4.167 5.893 5.838 1.00 73.03 C ATOM 577 C LEU A 37 -4.808 4.615 6.414 1.00 53.01 C ATOM 578 O LEU A 37 -5.224 3.734 5.665 1.00 13.03 O ATOM 579 CB LEU A 37 -2.666 5.969 6.201 1.00 74.02 C ATOM 580 CG LEU A 37 -1.772 4.761 5.791 1.00 75.22 C ATOM 581 CD1 LEU A 37 -1.860 4.429 4.287 1.00 62.43 C ATOM 582 CD2 LEU A 37 -0.319 5.021 6.204 1.00 72.30 C ATOM 0 H LEU A 37 -4.314 7.613 7.047 1.00 24.11 H new ATOM 0 HA LEU A 37 -4.278 5.844 4.755 1.00 73.03 H new ATOM 0 HB2 LEU A 37 -2.252 6.867 5.741 1.00 74.02 H new ATOM 0 HB3 LEU A 37 -2.586 6.098 7.280 1.00 74.02 H new ATOM 0 HG LEU A 37 -2.152 3.887 6.320 1.00 75.22 H new ATOM 0 HD11 LEU A 37 -1.215 3.579 4.064 1.00 62.43 H new ATOM 0 HD12 LEU A 37 -2.890 4.181 4.029 1.00 62.43 H new ATOM 0 HD13 LEU A 37 -1.537 5.292 3.704 1.00 62.43 H new ATOM 0 HD21 LEU A 37 0.299 4.172 5.914 1.00 72.30 H new ATOM 0 HD22 LEU A 37 0.045 5.921 5.708 1.00 72.30 H new ATOM 0 HD23 LEU A 37 -0.266 5.156 7.284 1.00 72.30 H new ATOM 594 N GLU A 38 -4.938 4.562 7.753 1.00 4.15 N ATOM 595 CA GLU A 38 -5.552 3.407 8.468 1.00 20.32 C ATOM 596 C GLU A 38 -7.074 3.293 8.186 1.00 30.35 C ATOM 597 O GLU A 38 -7.691 2.250 8.439 1.00 0.15 O ATOM 598 CB GLU A 38 -5.285 3.528 9.987 1.00 74.12 C ATOM 599 CG GLU A 38 -5.881 4.780 10.654 1.00 24.25 C ATOM 600 CD GLU A 38 -5.558 4.879 12.150 1.00 22.32 C ATOM 601 OE1 GLU A 38 -4.402 5.202 12.500 1.00 40.00 O ATOM 602 OE2 GLU A 38 -6.452 4.630 12.980 1.00 33.13 O ATOM 0 H GLU A 38 -4.625 5.309 8.374 1.00 4.15 H new ATOM 0 HA GLU A 38 -5.088 2.495 8.093 1.00 20.32 H new ATOM 0 HB2 GLU A 38 -5.687 2.644 10.483 1.00 74.12 H new ATOM 0 HB3 GLU A 38 -4.208 3.524 10.153 1.00 74.12 H new ATOM 0 HG2 GLU A 38 -5.503 5.668 10.148 1.00 24.25 H new ATOM 0 HG3 GLU A 38 -6.963 4.774 10.522 1.00 24.25 H new ATOM 609 N ARG A 39 -7.647 4.390 7.652 1.00 33.52 N ATOM 610 CA ARG A 39 -9.033 4.466 7.149 1.00 21.22 C ATOM 611 C ARG A 39 -9.331 3.385 6.070 1.00 42.24 C ATOM 612 O ARG A 39 -10.466 2.910 5.952 1.00 43.05 O ATOM 613 CB ARG A 39 -9.238 5.896 6.567 1.00 35.42 C ATOM 614 CG ARG A 39 -10.599 6.226 5.909 1.00 4.01 C ATOM 615 CD ARG A 39 -11.779 6.261 6.889 1.00 24.00 C ATOM 616 NE ARG A 39 -12.214 4.913 7.296 1.00 0.21 N ATOM 617 CZ ARG A 39 -12.922 4.627 8.360 1.00 31.11 C ATOM 618 NH1 ARG A 39 -13.292 5.550 9.188 1.00 31.42 N ATOM 619 NH2 ARG A 39 -13.252 3.400 8.596 1.00 31.21 N ATOM 0 H ARG A 39 -7.144 5.272 7.556 1.00 33.52 H new ATOM 0 HA ARG A 39 -9.727 4.272 7.967 1.00 21.22 H new ATOM 0 HB2 ARG A 39 -9.075 6.611 7.374 1.00 35.42 H new ATOM 0 HB3 ARG A 39 -8.458 6.069 5.825 1.00 35.42 H new ATOM 0 HG2 ARG A 39 -10.525 7.193 5.412 1.00 4.01 H new ATOM 0 HG3 ARG A 39 -10.805 5.486 5.136 1.00 4.01 H new ATOM 0 HD2 ARG A 39 -11.495 6.831 7.774 1.00 24.00 H new ATOM 0 HD3 ARG A 39 -12.616 6.785 6.427 1.00 24.00 H new ATOM 0 HE ARG A 39 -11.940 4.135 6.697 1.00 0.21 H new ATOM 0 HH11 ARG A 39 -13.033 6.522 9.018 1.00 31.42 H new ATOM 0 HH12 ARG A 39 -13.843 5.306 10.011 1.00 31.42 H new ATOM 0 HH21 ARG A 39 -12.961 2.661 7.955 1.00 31.21 H new ATOM 0 HH22 ARG A 39 -13.803 3.170 9.423 1.00 31.21 H new ATOM 633 N TRP A 40 -8.301 2.995 5.296 1.00 60.32 N ATOM 634 CA TRP A 40 -8.449 2.019 4.190 1.00 12.01 C ATOM 635 C TRP A 40 -7.339 0.942 4.183 1.00 4.12 C ATOM 636 O TRP A 40 -7.433 -0.004 3.405 1.00 10.43 O ATOM 637 CB TRP A 40 -8.448 2.766 2.834 1.00 32.41 C ATOM 638 CG TRP A 40 -7.151 3.493 2.551 1.00 2.01 C ATOM 639 CD1 TRP A 40 -6.823 4.769 2.912 1.00 61.21 C ATOM 640 CD2 TRP A 40 -6.007 2.974 1.854 1.00 21.21 C ATOM 641 NE1 TRP A 40 -5.551 5.063 2.495 1.00 3.23 N ATOM 642 CE2 TRP A 40 -5.039 3.984 1.831 1.00 51.10 C ATOM 643 CE3 TRP A 40 -5.721 1.746 1.245 1.00 54.01 C ATOM 644 CZ2 TRP A 40 -3.806 3.809 1.220 1.00 43.01 C ATOM 645 CZ3 TRP A 40 -4.503 1.572 0.638 1.00 73.32 C ATOM 646 CH2 TRP A 40 -3.560 2.599 0.627 1.00 53.45 C ATOM 0 H TRP A 40 -7.349 3.342 5.415 1.00 60.32 H new ATOM 0 HA TRP A 40 -9.397 1.504 4.346 1.00 12.01 H new ATOM 0 HB2 TRP A 40 -8.638 2.051 2.033 1.00 32.41 H new ATOM 0 HB3 TRP A 40 -9.269 3.483 2.822 1.00 32.41 H new ATOM 0 HD1 TRP A 40 -7.471 5.447 3.448 1.00 61.21 H new ATOM 0 HE1 TRP A 40 -5.065 5.945 2.655 1.00 3.23 H new ATOM 0 HE3 TRP A 40 -6.448 0.948 1.253 1.00 54.01 H new ATOM 0 HZ2 TRP A 40 -3.068 4.597 1.212 1.00 43.01 H new ATOM 0 HZ3 TRP A 40 -4.272 0.630 0.164 1.00 73.32 H new ATOM 0 HH2 TRP A 40 -2.611 2.436 0.138 1.00 53.45 H new ATOM 657 N TRP A 41 -6.272 1.134 4.990 1.00 35.42 N ATOM 658 CA TRP A 41 -5.061 0.267 4.953 1.00 14.21 C ATOM 659 C TRP A 41 -5.406 -1.185 5.360 1.00 11.35 C ATOM 660 O TRP A 41 -5.804 -1.441 6.500 1.00 52.31 O ATOM 661 CB TRP A 41 -3.944 0.854 5.858 1.00 1.32 C ATOM 662 CG TRP A 41 -2.572 0.252 5.635 1.00 73.30 C ATOM 663 CD1 TRP A 41 -1.816 -0.473 6.513 1.00 70.32 C ATOM 664 CD2 TRP A 41 -1.800 0.326 4.429 1.00 5.24 C ATOM 665 NE1 TRP A 41 -0.625 -0.818 5.940 1.00 71.21 N ATOM 666 CE2 TRP A 41 -0.597 -0.352 4.660 1.00 73.44 C ATOM 667 CE3 TRP A 41 -2.010 0.903 3.179 1.00 3.03 C ATOM 668 CZ2 TRP A 41 0.386 -0.463 3.692 1.00 1.12 C ATOM 669 CZ3 TRP A 41 -1.038 0.786 2.215 1.00 13.44 C ATOM 670 CH2 TRP A 41 0.149 0.108 2.472 1.00 51.13 C ATOM 0 H TRP A 41 -6.220 1.884 5.680 1.00 35.42 H new ATOM 0 HA TRP A 41 -4.689 0.242 3.929 1.00 14.21 H new ATOM 0 HB2 TRP A 41 -3.886 1.930 5.690 1.00 1.32 H new ATOM 0 HB3 TRP A 41 -4.225 0.708 6.901 1.00 1.32 H new ATOM 0 HD1 TRP A 41 -2.117 -0.736 7.516 1.00 70.32 H new ATOM 0 HE1 TRP A 41 0.123 -1.340 6.397 1.00 71.21 H new ATOM 0 HE3 TRP A 41 -2.926 1.436 2.970 1.00 3.03 H new ATOM 0 HZ2 TRP A 41 1.310 -0.984 3.894 1.00 1.12 H new ATOM 0 HZ3 TRP A 41 -1.198 1.227 1.242 1.00 13.44 H new ATOM 0 HH2 TRP A 41 0.896 0.031 1.696 1.00 51.13 H new ATOM 681 N GLY A 42 -5.257 -2.115 4.400 1.00 22.23 N ATOM 682 CA GLY A 42 -5.770 -3.486 4.538 1.00 63.44 C ATOM 683 C GLY A 42 -7.200 -3.623 3.991 1.00 62.44 C ATOM 684 O GLY A 42 -7.858 -2.615 3.735 1.00 15.02 O ATOM 0 H GLY A 42 -4.782 -1.938 3.515 1.00 22.23 H new ATOM 0 HA2 GLY A 42 -5.112 -4.175 4.008 1.00 63.44 H new ATOM 0 HA3 GLY A 42 -5.754 -3.775 5.589 1.00 63.44 H new ATOM 688 N PRO A 43 -7.729 -4.865 3.800 1.00 5.43 N ATOM 689 CA PRO A 43 -9.097 -5.075 3.236 1.00 51.31 C ATOM 690 C PRO A 43 -10.223 -4.539 4.178 1.00 53.42 C ATOM 691 O PRO A 43 -9.951 -4.244 5.348 1.00 31.23 O ATOM 692 CB PRO A 43 -9.162 -6.615 3.076 1.00 33.30 C ATOM 693 CG PRO A 43 -8.216 -7.136 4.113 1.00 31.34 C ATOM 694 CD PRO A 43 -7.067 -6.152 4.135 1.00 22.35 C ATOM 0 HA PRO A 43 -9.259 -4.533 2.304 1.00 51.31 H new ATOM 0 HB2 PRO A 43 -10.173 -6.989 3.236 1.00 33.30 H new ATOM 0 HB3 PRO A 43 -8.863 -6.924 2.074 1.00 33.30 H new ATOM 0 HG2 PRO A 43 -8.698 -7.200 5.089 1.00 31.34 H new ATOM 0 HG3 PRO A 43 -7.870 -8.139 3.862 1.00 31.34 H new ATOM 0 HD2 PRO A 43 -6.584 -6.116 5.111 1.00 22.35 H new ATOM 0 HD3 PRO A 43 -6.298 -6.412 3.408 1.00 22.35 H new ATOM 702 N PRO A 44 -11.503 -4.378 3.679 1.00 4.43 N ATOM 703 CA PRO A 44 -12.659 -3.950 4.531 1.00 43.05 C ATOM 704 C PRO A 44 -12.783 -4.736 5.870 1.00 12.43 C ATOM 705 O PRO A 44 -13.056 -4.150 6.925 1.00 20.02 O ATOM 706 CB PRO A 44 -13.880 -4.211 3.608 1.00 4.24 C ATOM 707 CG PRO A 44 -13.341 -4.010 2.221 1.00 72.43 C ATOM 708 CD PRO A 44 -11.920 -4.547 2.252 1.00 22.41 C ATOM 0 HA PRO A 44 -12.557 -2.915 4.859 1.00 43.05 H new ATOM 0 HB2 PRO A 44 -14.272 -5.219 3.741 1.00 4.24 H new ATOM 0 HB3 PRO A 44 -14.696 -3.521 3.822 1.00 4.24 H new ATOM 0 HG2 PRO A 44 -13.945 -4.541 1.485 1.00 72.43 H new ATOM 0 HG3 PRO A 44 -13.356 -2.956 1.944 1.00 72.43 H new ATOM 0 HD2 PRO A 44 -11.881 -5.592 1.945 1.00 22.41 H new ATOM 0 HD3 PRO A 44 -11.268 -3.992 1.577 1.00 22.41 H new ATOM 716 N THR A 45 -12.549 -6.062 5.799 1.00 63.43 N ATOM 717 CA THR A 45 -12.632 -6.975 6.969 1.00 4.24 C ATOM 718 C THR A 45 -11.436 -6.818 7.945 1.00 33.34 C ATOM 719 O THR A 45 -11.562 -7.133 9.131 1.00 74.30 O ATOM 720 CB THR A 45 -12.722 -8.472 6.510 1.00 21.54 C ATOM 721 OG1 THR A 45 -11.581 -8.802 5.694 1.00 51.32 O ATOM 722 CG2 THR A 45 -14.013 -8.762 5.720 1.00 5.13 C ATOM 0 H THR A 45 -12.297 -6.535 4.931 1.00 63.43 H new ATOM 0 HA THR A 45 -13.540 -6.693 7.501 1.00 4.24 H new ATOM 0 HB THR A 45 -12.735 -9.087 7.410 1.00 21.54 H new ATOM 0 HG1 THR A 45 -11.641 -9.738 5.411 1.00 51.32 H new ATOM 0 HG21 THR A 45 -14.030 -9.811 5.424 1.00 5.13 H new ATOM 0 HG22 THR A 45 -14.879 -8.548 6.346 1.00 5.13 H new ATOM 0 HG23 THR A 45 -14.044 -8.133 4.830 1.00 5.13 H new ATOM 730 N TRP A 46 -10.273 -6.336 7.448 1.00 53.02 N ATOM 731 CA TRP A 46 -9.056 -6.096 8.288 1.00 4.33 C ATOM 732 C TRP A 46 -8.564 -4.620 8.176 1.00 4.33 C ATOM 733 O TRP A 46 -7.591 -4.338 7.459 1.00 51.31 O ATOM 734 CB TRP A 46 -7.906 -7.073 7.892 1.00 55.52 C ATOM 735 CG TRP A 46 -8.154 -8.527 8.233 1.00 52.24 C ATOM 736 CD1 TRP A 46 -9.018 -9.394 7.623 1.00 63.43 C ATOM 737 CD2 TRP A 46 -7.495 -9.284 9.256 1.00 51.41 C ATOM 738 NE1 TRP A 46 -8.963 -10.621 8.231 1.00 1.31 N ATOM 739 CE2 TRP A 46 -8.031 -10.581 9.229 1.00 14.12 C ATOM 740 CE3 TRP A 46 -6.515 -8.979 10.199 1.00 34.42 C ATOM 741 CZ2 TRP A 46 -7.618 -11.574 10.109 1.00 51.44 C ATOM 742 CZ3 TRP A 46 -6.099 -9.965 11.068 1.00 63.00 C ATOM 743 CH2 TRP A 46 -6.651 -11.249 11.021 1.00 41.03 C ATOM 0 H TRP A 46 -10.143 -6.102 6.464 1.00 53.02 H new ATOM 0 HA TRP A 46 -9.337 -6.283 9.324 1.00 4.33 H new ATOM 0 HB2 TRP A 46 -7.734 -6.992 6.819 1.00 55.52 H new ATOM 0 HB3 TRP A 46 -6.990 -6.751 8.387 1.00 55.52 H new ATOM 0 HD1 TRP A 46 -9.652 -9.148 6.784 1.00 63.43 H new ATOM 0 HE1 TRP A 46 -9.527 -11.433 7.979 1.00 1.31 H new ATOM 0 HE3 TRP A 46 -6.089 -7.988 10.248 1.00 34.42 H new ATOM 0 HZ2 TRP A 46 -8.044 -12.566 10.074 1.00 51.44 H new ATOM 0 HZ3 TRP A 46 -5.334 -9.742 11.797 1.00 63.00 H new ATOM 0 HH2 TRP A 46 -6.307 -11.999 11.718 1.00 41.03 H new ATOM 754 N PRO A 47 -9.252 -3.640 8.853 1.00 34.33 N ATOM 755 CA PRO A 47 -8.783 -2.231 8.910 1.00 75.31 C ATOM 756 C PRO A 47 -7.570 -2.055 9.865 1.00 35.25 C ATOM 757 O PRO A 47 -7.585 -2.541 11.006 1.00 32.13 O ATOM 758 CB PRO A 47 -10.034 -1.473 9.426 1.00 60.52 C ATOM 759 CG PRO A 47 -10.755 -2.485 10.272 1.00 53.03 C ATOM 760 CD PRO A 47 -10.542 -3.816 9.580 1.00 73.14 C ATOM 0 HA PRO A 47 -8.422 -1.865 7.949 1.00 75.31 H new ATOM 0 HB2 PRO A 47 -9.755 -0.594 10.007 1.00 60.52 H new ATOM 0 HB3 PRO A 47 -10.657 -1.126 8.602 1.00 60.52 H new ATOM 0 HG2 PRO A 47 -10.358 -2.502 11.287 1.00 53.03 H new ATOM 0 HG3 PRO A 47 -11.816 -2.248 10.349 1.00 53.03 H new ATOM 0 HD2 PRO A 47 -10.488 -4.635 10.297 1.00 73.14 H new ATOM 0 HD3 PRO A 47 -11.358 -4.045 8.895 1.00 73.14 H new ATOM 768 N ALA A 48 -6.521 -1.360 9.394 1.00 63.31 N ATOM 769 CA ALA A 48 -5.299 -1.123 10.190 1.00 11.44 C ATOM 770 C ALA A 48 -5.477 0.018 11.217 1.00 65.34 C ATOM 771 O ALA A 48 -6.486 0.734 11.215 1.00 32.10 O ATOM 772 CB ALA A 48 -4.110 -0.840 9.264 1.00 22.41 C ATOM 0 H ALA A 48 -6.493 -0.949 8.461 1.00 63.31 H new ATOM 0 HA ALA A 48 -5.100 -2.031 10.759 1.00 11.44 H new ATOM 0 HB1 ALA A 48 -3.216 -0.667 9.863 1.00 22.41 H new ATOM 0 HB2 ALA A 48 -3.948 -1.695 8.608 1.00 22.41 H new ATOM 0 HB3 ALA A 48 -4.320 0.044 8.662 1.00 22.41 H new ATOM 778 N THR A 49 -4.485 0.152 12.109 1.00 11.02 N ATOM 779 CA THR A 49 -4.405 1.246 13.102 1.00 73.31 C ATOM 780 C THR A 49 -2.922 1.590 13.359 1.00 15.25 C ATOM 781 O THR A 49 -2.173 0.759 13.886 1.00 65.42 O ATOM 782 CB THR A 49 -5.118 0.862 14.448 1.00 72.25 C ATOM 783 OG1 THR A 49 -6.517 0.614 14.217 1.00 25.14 O ATOM 784 CG2 THR A 49 -4.975 1.955 15.524 1.00 44.43 C ATOM 0 H THR A 49 -3.704 -0.501 12.166 1.00 11.02 H new ATOM 0 HA THR A 49 -4.923 2.117 12.699 1.00 73.31 H new ATOM 0 HB THR A 49 -4.628 -0.039 14.816 1.00 72.25 H new ATOM 0 HG1 THR A 49 -6.951 0.374 15.062 1.00 25.14 H new ATOM 0 HG21 THR A 49 -5.486 1.639 16.434 1.00 44.43 H new ATOM 0 HG22 THR A 49 -3.919 2.118 15.739 1.00 44.43 H new ATOM 0 HG23 THR A 49 -5.419 2.882 15.162 1.00 44.43 H new ATOM 792 N PHE A 50 -2.507 2.812 12.964 1.00 12.11 N ATOM 793 CA PHE A 50 -1.102 3.273 13.064 1.00 33.31 C ATOM 794 C PHE A 50 -0.811 3.919 14.434 1.00 22.33 C ATOM 795 O PHE A 50 -1.341 4.986 14.757 1.00 53.20 O ATOM 796 CB PHE A 50 -0.762 4.254 11.900 1.00 23.22 C ATOM 797 CG PHE A 50 -0.531 3.546 10.564 1.00 62.21 C ATOM 798 CD1 PHE A 50 -1.596 3.005 9.843 1.00 23.40 C ATOM 799 CD2 PHE A 50 0.758 3.398 10.046 1.00 34.21 C ATOM 800 CE1 PHE A 50 -1.381 2.340 8.655 1.00 43.05 C ATOM 801 CE2 PHE A 50 0.971 2.736 8.852 1.00 15.41 C ATOM 802 CZ PHE A 50 -0.097 2.205 8.158 1.00 53.12 C ATOM 0 H PHE A 50 -3.136 3.509 12.566 1.00 12.11 H new ATOM 0 HA PHE A 50 -0.459 2.398 12.975 1.00 33.31 H new ATOM 0 HB2 PHE A 50 -1.575 4.971 11.788 1.00 23.22 H new ATOM 0 HB3 PHE A 50 0.130 4.823 12.162 1.00 23.22 H new ATOM 0 HD1 PHE A 50 -2.602 3.109 10.221 1.00 23.40 H new ATOM 0 HD2 PHE A 50 1.599 3.807 10.586 1.00 34.21 H new ATOM 0 HE1 PHE A 50 -2.216 1.924 8.111 1.00 43.05 H new ATOM 0 HE2 PHE A 50 1.973 2.634 8.462 1.00 15.41 H new ATOM 0 HZ PHE A 50 0.070 1.684 7.227 1.00 53.12 H new ATOM 812 N GLU A 51 0.028 3.239 15.234 1.00 22.03 N ATOM 813 CA GLU A 51 0.540 3.753 16.520 1.00 61.31 C ATOM 814 C GLU A 51 1.529 4.917 16.303 1.00 43.21 C ATOM 815 O GLU A 51 1.532 5.888 17.062 1.00 24.14 O ATOM 816 CB GLU A 51 1.225 2.606 17.303 1.00 60.34 C ATOM 817 CG GLU A 51 0.297 1.423 17.634 1.00 21.24 C ATOM 818 CD GLU A 51 -0.930 1.836 18.462 1.00 1.41 C ATOM 819 OE1 GLU A 51 -0.793 2.019 19.691 1.00 62.42 O ATOM 820 OE2 GLU A 51 -2.035 1.992 17.894 1.00 24.44 O ATOM 0 H GLU A 51 0.374 2.307 15.005 1.00 22.03 H new ATOM 0 HA GLU A 51 -0.302 4.135 17.098 1.00 61.31 H new ATOM 0 HB2 GLU A 51 2.070 2.238 16.721 1.00 60.34 H new ATOM 0 HB3 GLU A 51 1.629 3.007 18.233 1.00 60.34 H new ATOM 0 HG2 GLU A 51 -0.037 0.960 16.706 1.00 21.24 H new ATOM 0 HG3 GLU A 51 0.861 0.668 18.182 1.00 21.24 H new ATOM 827 N THR A 52 2.368 4.791 15.257 1.00 31.32 N ATOM 828 CA THR A 52 3.264 5.877 14.795 1.00 22.04 C ATOM 829 C THR A 52 3.271 5.927 13.258 1.00 34.25 C ATOM 830 O THR A 52 3.033 4.911 12.594 1.00 52.15 O ATOM 831 CB THR A 52 4.740 5.751 15.326 1.00 4.31 C ATOM 832 OG1 THR A 52 5.480 6.940 14.997 1.00 4.12 O ATOM 833 CG2 THR A 52 5.499 4.535 14.764 1.00 70.11 C ATOM 0 H THR A 52 2.446 3.936 14.707 1.00 31.32 H new ATOM 0 HA THR A 52 2.864 6.802 15.210 1.00 22.04 H new ATOM 0 HB THR A 52 4.660 5.616 16.405 1.00 4.31 H new ATOM 0 HG1 THR A 52 6.398 6.857 15.331 1.00 4.12 H new ATOM 0 HG21 THR A 52 6.508 4.515 15.175 1.00 70.11 H new ATOM 0 HG22 THR A 52 4.976 3.620 15.041 1.00 70.11 H new ATOM 0 HG23 THR A 52 5.551 4.609 13.678 1.00 70.11 H new ATOM 841 N HIS A 53 3.519 7.125 12.715 1.00 24.32 N ATOM 842 CA HIS A 53 3.625 7.365 11.270 1.00 60.33 C ATOM 843 C HIS A 53 4.447 8.653 11.048 1.00 10.10 C ATOM 844 O HIS A 53 3.919 9.770 11.126 1.00 12.23 O ATOM 845 CB HIS A 53 2.205 7.455 10.658 1.00 35.11 C ATOM 846 CG HIS A 53 2.141 7.668 9.167 1.00 3.52 C ATOM 847 ND1 HIS A 53 2.071 8.929 8.635 1.00 13.23 N ATOM 848 CD2 HIS A 53 2.080 6.764 8.159 1.00 3.03 C ATOM 849 CE1 HIS A 53 1.969 8.770 7.336 1.00 74.11 C ATOM 850 NE2 HIS A 53 1.968 7.479 6.995 1.00 2.13 N ATOM 0 H HIS A 53 3.654 7.967 13.275 1.00 24.32 H new ATOM 0 HA HIS A 53 4.139 6.545 10.769 1.00 60.33 H new ATOM 0 HB2 HIS A 53 1.669 6.537 10.897 1.00 35.11 H new ATOM 0 HB3 HIS A 53 1.672 8.272 11.145 1.00 35.11 H new ATOM 0 HD2 HIS A 53 2.113 5.689 8.254 1.00 3.03 H new ATOM 0 HE1 HIS A 53 1.895 9.584 6.630 1.00 74.11 H new ATOM 0 HE2 HIS A 53 1.898 7.099 6.051 1.00 2.13 H new ATOM 858 N GLU A 54 5.762 8.473 10.852 1.00 41.44 N ATOM 859 CA GLU A 54 6.731 9.586 10.730 1.00 74.14 C ATOM 860 C GLU A 54 6.567 10.366 9.403 1.00 61.34 C ATOM 861 O GLU A 54 6.612 11.604 9.392 1.00 43.52 O ATOM 862 CB GLU A 54 8.174 9.032 10.884 1.00 22.21 C ATOM 863 CG GLU A 54 8.433 8.318 12.233 1.00 41.24 C ATOM 864 CD GLU A 54 8.276 9.242 13.454 1.00 33.23 C ATOM 865 OE1 GLU A 54 9.229 9.983 13.771 1.00 51.51 O ATOM 866 OE2 GLU A 54 7.200 9.247 14.091 1.00 32.01 O ATOM 0 H GLU A 54 6.190 7.551 10.773 1.00 41.44 H new ATOM 0 HA GLU A 54 6.532 10.300 11.529 1.00 74.14 H new ATOM 0 HB2 GLU A 54 8.373 8.334 10.071 1.00 22.21 H new ATOM 0 HB3 GLU A 54 8.881 9.855 10.778 1.00 22.21 H new ATOM 0 HG2 GLU A 54 7.743 7.480 12.330 1.00 41.24 H new ATOM 0 HG3 GLU A 54 9.441 7.903 12.228 1.00 41.24 H new ATOM 873 N PHE A 55 6.360 9.613 8.305 1.00 42.45 N ATOM 874 CA PHE A 55 6.232 10.148 6.928 1.00 14.03 C ATOM 875 C PHE A 55 7.440 11.048 6.549 1.00 33.14 C ATOM 876 O PHE A 55 7.304 12.246 6.289 1.00 62.01 O ATOM 877 CB PHE A 55 4.865 10.869 6.720 1.00 54.54 C ATOM 878 CG PHE A 55 4.443 10.980 5.253 1.00 62.32 C ATOM 879 CD1 PHE A 55 4.033 9.842 4.556 1.00 12.10 C ATOM 880 CD2 PHE A 55 4.463 12.195 4.565 1.00 22.41 C ATOM 881 CE1 PHE A 55 3.659 9.911 3.232 1.00 0.45 C ATOM 882 CE2 PHE A 55 4.084 12.259 3.238 1.00 41.12 C ATOM 883 CZ PHE A 55 3.682 11.116 2.576 1.00 0.44 C ATOM 0 H PHE A 55 6.275 8.597 8.347 1.00 42.45 H new ATOM 0 HA PHE A 55 6.248 9.301 6.242 1.00 14.03 H new ATOM 0 HB2 PHE A 55 4.093 10.331 7.271 1.00 54.54 H new ATOM 0 HB3 PHE A 55 4.923 11.870 7.148 1.00 54.54 H new ATOM 0 HD1 PHE A 55 4.009 8.889 5.064 1.00 12.10 H new ATOM 0 HD2 PHE A 55 4.778 13.093 5.075 1.00 22.41 H new ATOM 0 HE1 PHE A 55 3.348 9.018 2.711 1.00 0.45 H new ATOM 0 HE2 PHE A 55 4.102 13.205 2.717 1.00 41.12 H new ATOM 0 HZ PHE A 55 3.385 11.170 1.539 1.00 0.44 H new ATOM 893 N THR A 56 8.631 10.435 6.541 1.00 31.04 N ATOM 894 CA THR A 56 9.906 11.114 6.207 1.00 14.14 C ATOM 895 C THR A 56 10.915 10.107 5.620 1.00 3.31 C ATOM 896 O THR A 56 10.759 8.897 5.790 1.00 20.22 O ATOM 897 CB THR A 56 10.522 11.853 7.451 1.00 14.53 C ATOM 898 OG1 THR A 56 11.821 12.393 7.142 1.00 50.12 O ATOM 899 CG2 THR A 56 10.627 10.937 8.679 1.00 51.41 C ATOM 0 H THR A 56 8.746 9.447 6.767 1.00 31.04 H new ATOM 0 HA THR A 56 9.686 11.872 5.456 1.00 14.14 H new ATOM 0 HB THR A 56 9.840 12.668 7.694 1.00 14.53 H new ATOM 0 HG1 THR A 56 12.182 12.849 7.931 1.00 50.12 H new ATOM 0 HG21 THR A 56 11.058 11.493 9.512 1.00 51.41 H new ATOM 0 HG22 THR A 56 9.634 10.583 8.955 1.00 51.41 H new ATOM 0 HG23 THR A 56 11.264 10.084 8.444 1.00 51.41 H new ATOM 907 N VAL A 57 11.947 10.620 4.935 1.00 12.45 N ATOM 908 CA VAL A 57 12.973 9.789 4.263 1.00 44.31 C ATOM 909 C VAL A 57 13.869 9.076 5.314 1.00 21.23 C ATOM 910 O VAL A 57 14.634 9.724 6.033 1.00 52.22 O ATOM 911 CB VAL A 57 13.852 10.666 3.300 1.00 13.14 C ATOM 912 CG1 VAL A 57 14.899 9.806 2.544 1.00 30.23 C ATOM 913 CG2 VAL A 57 12.958 11.465 2.315 1.00 31.31 C ATOM 0 H VAL A 57 12.100 11.623 4.827 1.00 12.45 H new ATOM 0 HA VAL A 57 12.464 9.030 3.669 1.00 44.31 H new ATOM 0 HB VAL A 57 14.404 11.381 3.910 1.00 13.14 H new ATOM 0 HG11 VAL A 57 15.489 10.445 1.887 1.00 30.23 H new ATOM 0 HG12 VAL A 57 15.557 9.319 3.263 1.00 30.23 H new ATOM 0 HG13 VAL A 57 14.387 9.049 1.950 1.00 30.23 H new ATOM 0 HG21 VAL A 57 13.587 12.065 1.658 1.00 31.31 H new ATOM 0 HG22 VAL A 57 12.366 10.772 1.717 1.00 31.31 H new ATOM 0 HG23 VAL A 57 12.292 12.120 2.877 1.00 31.31 H new ATOM 923 N GLY A 58 13.740 7.739 5.401 1.00 34.33 N ATOM 924 CA GLY A 58 14.419 6.939 6.439 1.00 42.34 C ATOM 925 C GLY A 58 13.604 6.817 7.736 1.00 42.12 C ATOM 926 O GLY A 58 14.075 6.236 8.720 1.00 54.53 O ATOM 0 H GLY A 58 13.169 7.187 4.761 1.00 34.33 H new ATOM 0 HA2 GLY A 58 14.619 5.942 6.048 1.00 42.34 H new ATOM 0 HA3 GLY A 58 15.384 7.392 6.665 1.00 42.34 H new ATOM 930 N GLY A 59 12.383 7.382 7.734 1.00 61.44 N ATOM 931 CA GLY A 59 11.442 7.249 8.855 1.00 71.11 C ATOM 932 C GLY A 59 10.584 5.989 8.747 1.00 12.23 C ATOM 933 O GLY A 59 10.537 5.357 7.687 1.00 62.12 O ATOM 0 H GLY A 59 12.025 7.940 6.959 1.00 61.44 H new ATOM 0 HA2 GLY A 59 11.998 7.228 9.792 1.00 71.11 H new ATOM 0 HA3 GLY A 59 10.794 8.125 8.888 1.00 71.11 H new ATOM 937 N LYS A 60 9.891 5.621 9.837 1.00 63.41 N ATOM 938 CA LYS A 60 9.083 4.376 9.895 1.00 51.11 C ATOM 939 C LYS A 60 7.643 4.622 10.392 1.00 30.01 C ATOM 940 O LYS A 60 7.267 5.735 10.768 1.00 63.20 O ATOM 941 CB LYS A 60 9.799 3.298 10.767 1.00 44.14 C ATOM 942 CG LYS A 60 11.090 2.743 10.130 1.00 12.44 C ATOM 943 CD LYS A 60 11.682 1.538 10.894 1.00 11.05 C ATOM 944 CE LYS A 60 12.884 0.919 10.156 1.00 14.44 C ATOM 945 NZ LYS A 60 13.452 -0.241 10.874 1.00 1.20 N ATOM 0 H LYS A 60 9.870 6.167 10.698 1.00 63.41 H new ATOM 0 HA LYS A 60 8.999 4.004 8.874 1.00 51.11 H new ATOM 0 HB2 LYS A 60 10.040 3.730 11.738 1.00 44.14 H new ATOM 0 HB3 LYS A 60 9.110 2.473 10.948 1.00 44.14 H new ATOM 0 HG2 LYS A 60 10.880 2.445 9.103 1.00 12.44 H new ATOM 0 HG3 LYS A 60 11.835 3.537 10.086 1.00 12.44 H new ATOM 0 HD2 LYS A 60 11.993 1.857 11.889 1.00 11.05 H new ATOM 0 HD3 LYS A 60 10.910 0.780 11.029 1.00 11.05 H new ATOM 0 HE2 LYS A 60 12.573 0.608 9.159 1.00 14.44 H new ATOM 0 HE3 LYS A 60 13.657 1.677 10.027 1.00 14.44 H new ATOM 0 HZ1 LYS A 60 14.257 -0.621 10.337 1.00 1.20 H new ATOM 0 HZ2 LYS A 60 13.774 0.058 11.816 1.00 1.20 H new ATOM 0 HZ3 LYS A 60 12.724 -0.977 10.975 1.00 1.20 H new ATOM 959 N ALA A 61 6.834 3.554 10.343 1.00 4.02 N ATOM 960 CA ALA A 61 5.440 3.561 10.815 1.00 50.21 C ATOM 961 C ALA A 61 5.081 2.186 11.416 1.00 50.34 C ATOM 962 O ALA A 61 5.435 1.152 10.854 1.00 61.14 O ATOM 963 CB ALA A 61 4.482 3.941 9.669 1.00 11.31 C ATOM 0 H ALA A 61 7.131 2.652 9.971 1.00 4.02 H new ATOM 0 HA ALA A 61 5.332 4.313 11.597 1.00 50.21 H new ATOM 0 HB1 ALA A 61 3.456 3.941 10.037 1.00 11.31 H new ATOM 0 HB2 ALA A 61 4.734 4.934 9.298 1.00 11.31 H new ATOM 0 HB3 ALA A 61 4.577 3.217 8.860 1.00 11.31 H new ATOM 969 N ALA A 62 4.389 2.184 12.562 1.00 53.33 N ATOM 970 CA ALA A 62 3.972 0.942 13.257 1.00 25.42 C ATOM 971 C ALA A 62 2.447 0.825 13.204 1.00 11.01 C ATOM 972 O ALA A 62 1.750 1.776 13.557 1.00 70.15 O ATOM 973 CB ALA A 62 4.460 0.939 14.717 1.00 45.42 C ATOM 0 H ALA A 62 4.099 3.037 13.040 1.00 53.33 H new ATOM 0 HA ALA A 62 4.421 0.085 12.755 1.00 25.42 H new ATOM 0 HB1 ALA A 62 4.142 0.018 15.205 1.00 45.42 H new ATOM 0 HB2 ALA A 62 5.548 1.003 14.737 1.00 45.42 H new ATOM 0 HB3 ALA A 62 4.036 1.794 15.244 1.00 45.42 H new ATOM 979 N TYR A 63 1.936 -0.332 12.760 1.00 12.23 N ATOM 980 CA TYR A 63 0.483 -0.562 12.623 1.00 60.40 C ATOM 981 C TYR A 63 0.097 -2.011 12.963 1.00 33.20 C ATOM 982 O TYR A 63 0.952 -2.860 13.225 1.00 42.01 O ATOM 983 CB TYR A 63 0.001 -0.192 11.187 1.00 13.44 C ATOM 984 CG TYR A 63 0.637 -1.009 10.039 1.00 22.25 C ATOM 985 CD1 TYR A 63 1.874 -0.645 9.491 1.00 41.44 C ATOM 986 CD2 TYR A 63 -0.004 -2.132 9.496 1.00 2.24 C ATOM 987 CE1 TYR A 63 2.442 -1.366 8.460 1.00 32.23 C ATOM 988 CE2 TYR A 63 0.568 -2.856 8.465 1.00 24.34 C ATOM 989 CZ TYR A 63 1.790 -2.468 7.949 1.00 52.24 C ATOM 990 OH TYR A 63 2.365 -3.187 6.921 1.00 53.23 O ATOM 0 H TYR A 63 2.509 -1.131 12.487 1.00 12.23 H new ATOM 0 HA TYR A 63 -0.018 0.088 13.341 1.00 60.40 H new ATOM 0 HB2 TYR A 63 -1.081 -0.317 11.142 1.00 13.44 H new ATOM 0 HB3 TYR A 63 0.207 0.864 11.015 1.00 13.44 H new ATOM 0 HD1 TYR A 63 2.393 0.217 9.883 1.00 41.44 H new ATOM 0 HD2 TYR A 63 -0.962 -2.437 9.890 1.00 2.24 H new ATOM 0 HE1 TYR A 63 3.397 -1.067 8.054 1.00 32.23 H new ATOM 0 HE2 TYR A 63 0.061 -3.722 8.065 1.00 24.34 H new ATOM 0 HH TYR A 63 3.063 -3.773 7.282 1.00 53.23 H new ATOM 1000 N TYR A 64 -1.217 -2.259 12.981 1.00 52.33 N ATOM 1001 CA TYR A 64 -1.792 -3.609 13.098 1.00 24.33 C ATOM 1002 C TYR A 64 -3.207 -3.631 12.487 1.00 22.13 C ATOM 1003 O TYR A 64 -3.983 -2.693 12.680 1.00 14.31 O ATOM 1004 CB TYR A 64 -1.794 -4.092 14.584 1.00 34.42 C ATOM 1005 CG TYR A 64 -2.340 -3.074 15.607 1.00 42.54 C ATOM 1006 CD1 TYR A 64 -3.713 -2.879 15.779 1.00 63.52 C ATOM 1007 CD2 TYR A 64 -1.480 -2.326 16.416 1.00 64.30 C ATOM 1008 CE1 TYR A 64 -4.205 -1.986 16.703 1.00 5.12 C ATOM 1009 CE2 TYR A 64 -1.971 -1.428 17.341 1.00 2.35 C ATOM 1010 CZ TYR A 64 -3.333 -1.265 17.484 1.00 52.40 C ATOM 1011 OH TYR A 64 -3.825 -0.374 18.410 1.00 21.21 O ATOM 0 H TYR A 64 -1.920 -1.523 12.914 1.00 52.33 H new ATOM 0 HA TYR A 64 -1.170 -4.308 12.539 1.00 24.33 H new ATOM 0 HB2 TYR A 64 -2.387 -5.004 14.652 1.00 34.42 H new ATOM 0 HB3 TYR A 64 -0.774 -4.354 14.865 1.00 34.42 H new ATOM 0 HD1 TYR A 64 -4.405 -3.443 15.172 1.00 63.52 H new ATOM 0 HD2 TYR A 64 -0.412 -2.453 16.315 1.00 64.30 H new ATOM 0 HE1 TYR A 64 -5.271 -1.852 16.814 1.00 5.12 H new ATOM 0 HE2 TYR A 64 -1.290 -0.854 17.952 1.00 2.35 H new ATOM 0 HH TYR A 64 -3.333 0.471 18.345 1.00 21.21 H new ATOM 1021 N MET A 65 -3.514 -4.690 11.726 1.00 42.50 N ATOM 1022 CA MET A 65 -4.850 -4.903 11.138 1.00 3.44 C ATOM 1023 C MET A 65 -5.755 -5.640 12.147 1.00 72.34 C ATOM 1024 O MET A 65 -5.448 -6.766 12.565 1.00 52.13 O ATOM 1025 CB MET A 65 -4.738 -5.701 9.815 1.00 33.00 C ATOM 1026 CG MET A 65 -3.960 -4.986 8.699 1.00 64.25 C ATOM 1027 SD MET A 65 -3.799 -5.991 7.206 1.00 34.31 S ATOM 1028 CE MET A 65 -2.879 -7.411 7.810 1.00 42.13 C ATOM 0 H MET A 65 -2.845 -5.426 11.499 1.00 42.50 H new ATOM 0 HA MET A 65 -5.297 -3.935 10.911 1.00 3.44 H new ATOM 0 HB2 MET A 65 -4.255 -6.656 10.022 1.00 33.00 H new ATOM 0 HB3 MET A 65 -5.742 -5.923 9.454 1.00 33.00 H new ATOM 0 HG2 MET A 65 -4.465 -4.052 8.451 1.00 64.25 H new ATOM 0 HG3 MET A 65 -2.967 -4.724 9.064 1.00 64.25 H new ATOM 0 HE1 MET A 65 -2.437 -7.943 6.968 1.00 42.13 H new ATOM 0 HE2 MET A 65 -2.089 -7.074 8.481 1.00 42.13 H new ATOM 0 HE3 MET A 65 -3.552 -8.078 8.348 1.00 42.13 H new ATOM 1038 N THR A 66 -6.843 -4.976 12.557 1.00 10.11 N ATOM 1039 CA THR A 66 -7.828 -5.540 13.498 1.00 52.10 C ATOM 1040 C THR A 66 -8.840 -6.417 12.734 1.00 64.40 C ATOM 1041 O THR A 66 -9.667 -5.904 11.974 1.00 3.43 O ATOM 1042 CB THR A 66 -8.576 -4.405 14.283 1.00 12.23 C ATOM 1043 OG1 THR A 66 -7.613 -3.494 14.843 1.00 15.05 O ATOM 1044 CG2 THR A 66 -9.449 -4.969 15.427 1.00 21.34 C ATOM 0 H THR A 66 -7.068 -4.031 12.247 1.00 10.11 H new ATOM 0 HA THR A 66 -7.296 -6.155 14.224 1.00 52.10 H new ATOM 0 HB THR A 66 -9.229 -3.894 13.576 1.00 12.23 H new ATOM 0 HG1 THR A 66 -8.080 -2.784 15.332 1.00 15.05 H new ATOM 0 HG21 THR A 66 -9.948 -4.148 15.943 1.00 21.34 H new ATOM 0 HG22 THR A 66 -10.197 -5.646 15.014 1.00 21.34 H new ATOM 0 HG23 THR A 66 -8.819 -5.511 16.132 1.00 21.34 H new ATOM 1052 N GLY A 67 -8.745 -7.742 12.934 1.00 24.51 N ATOM 1053 CA GLY A 67 -9.577 -8.718 12.219 1.00 24.10 C ATOM 1054 C GLY A 67 -11.069 -8.674 12.563 1.00 0.51 C ATOM 1055 O GLY A 67 -11.456 -8.046 13.560 1.00 64.31 O ATOM 0 H GLY A 67 -8.091 -8.163 13.594 1.00 24.51 H new ATOM 0 HA2 GLY A 67 -9.462 -8.555 11.147 1.00 24.10 H new ATOM 0 HA3 GLY A 67 -9.200 -9.719 12.431 1.00 24.10 H new ATOM 1059 N PRO A 68 -11.950 -9.347 11.750 1.00 22.21 N ATOM 1060 CA PRO A 68 -13.421 -9.391 12.004 1.00 33.22 C ATOM 1061 C PRO A 68 -13.775 -10.125 13.327 1.00 2.23 C ATOM 1062 O PRO A 68 -14.784 -9.821 13.973 1.00 72.23 O ATOM 1063 CB PRO A 68 -13.980 -10.134 10.754 1.00 4.23 C ATOM 1064 CG PRO A 68 -12.815 -10.933 10.227 1.00 13.44 C ATOM 1065 CD PRO A 68 -11.584 -10.100 10.512 1.00 21.03 C ATOM 0 HA PRO A 68 -13.851 -8.398 12.135 1.00 33.22 H new ATOM 0 HB2 PRO A 68 -14.816 -10.781 11.020 1.00 4.23 H new ATOM 0 HB3 PRO A 68 -14.347 -9.430 10.007 1.00 4.23 H new ATOM 0 HG2 PRO A 68 -12.753 -11.904 10.718 1.00 13.44 H new ATOM 0 HG3 PRO A 68 -12.921 -11.122 9.159 1.00 13.44 H new ATOM 0 HD2 PRO A 68 -10.704 -10.724 10.668 1.00 21.03 H new ATOM 0 HD3 PRO A 68 -11.355 -9.427 9.686 1.00 21.03 H new ATOM 1073 N ASP A 69 -12.918 -11.085 13.715 1.00 62.40 N ATOM 1074 CA ASP A 69 -13.037 -11.837 14.987 1.00 14.44 C ATOM 1075 C ASP A 69 -12.295 -11.129 16.152 1.00 54.45 C ATOM 1076 O ASP A 69 -12.356 -11.577 17.305 1.00 4.51 O ATOM 1077 CB ASP A 69 -12.464 -13.257 14.785 1.00 15.22 C ATOM 1078 CG ASP A 69 -13.114 -13.983 13.601 1.00 2.41 C ATOM 1079 OD1 ASP A 69 -12.634 -13.827 12.456 1.00 1.14 O ATOM 1080 OD2 ASP A 69 -14.116 -14.697 13.800 1.00 43.13 O ATOM 0 H ASP A 69 -12.115 -11.367 13.153 1.00 62.40 H new ATOM 0 HA ASP A 69 -14.092 -11.887 15.257 1.00 14.44 H new ATOM 0 HB2 ASP A 69 -11.388 -13.193 14.623 1.00 15.22 H new ATOM 0 HB3 ASP A 69 -12.615 -13.840 15.693 1.00 15.22 H new ATOM 1085 N GLY A 70 -11.611 -10.014 15.835 1.00 43.21 N ATOM 1086 CA GLY A 70 -10.761 -9.297 16.799 1.00 51.14 C ATOM 1087 C GLY A 70 -9.276 -9.669 16.699 1.00 72.24 C ATOM 1088 O GLY A 70 -8.446 -9.045 17.364 1.00 62.42 O ATOM 0 H GLY A 70 -11.633 -9.588 14.908 1.00 43.21 H new ATOM 0 HA2 GLY A 70 -10.870 -8.224 16.640 1.00 51.14 H new ATOM 0 HA3 GLY A 70 -11.113 -9.507 17.809 1.00 51.14 H new ATOM 1092 N THR A 71 -8.952 -10.683 15.862 1.00 62.43 N ATOM 1093 CA THR A 71 -7.560 -11.179 15.652 1.00 43.22 C ATOM 1094 C THR A 71 -6.610 -10.045 15.198 1.00 54.22 C ATOM 1095 O THR A 71 -6.768 -9.491 14.110 1.00 21.53 O ATOM 1096 CB THR A 71 -7.526 -12.340 14.595 1.00 41.21 C ATOM 1097 OG1 THR A 71 -8.453 -13.374 14.973 1.00 33.41 O ATOM 1098 CG2 THR A 71 -6.112 -12.947 14.444 1.00 75.03 C ATOM 0 H THR A 71 -9.647 -11.185 15.309 1.00 62.43 H new ATOM 0 HA THR A 71 -7.214 -11.558 16.614 1.00 43.22 H new ATOM 0 HB THR A 71 -7.811 -11.913 13.633 1.00 41.21 H new ATOM 0 HG1 THR A 71 -8.428 -14.094 14.309 1.00 33.41 H new ATOM 0 HG21 THR A 71 -6.136 -13.746 13.703 1.00 75.03 H new ATOM 0 HG22 THR A 71 -5.416 -12.173 14.120 1.00 75.03 H new ATOM 0 HG23 THR A 71 -5.785 -13.351 15.402 1.00 75.03 H new ATOM 1106 N LYS A 72 -5.633 -9.701 16.050 1.00 51.44 N ATOM 1107 CA LYS A 72 -4.731 -8.559 15.815 1.00 63.52 C ATOM 1108 C LYS A 72 -3.425 -9.011 15.114 1.00 63.22 C ATOM 1109 O LYS A 72 -2.552 -9.624 15.744 1.00 2.13 O ATOM 1110 CB LYS A 72 -4.423 -7.847 17.168 1.00 14.25 C ATOM 1111 CG LYS A 72 -4.322 -6.313 17.067 1.00 73.11 C ATOM 1112 CD LYS A 72 -5.681 -5.634 16.722 1.00 44.44 C ATOM 1113 CE LYS A 72 -6.650 -5.516 17.921 1.00 53.12 C ATOM 1114 NZ LYS A 72 -7.117 -6.826 18.441 1.00 4.53 N ATOM 0 H LYS A 72 -5.445 -10.203 16.918 1.00 51.44 H new ATOM 0 HA LYS A 72 -5.227 -7.853 15.149 1.00 63.52 H new ATOM 0 HB2 LYS A 72 -5.203 -8.102 17.885 1.00 14.25 H new ATOM 0 HB3 LYS A 72 -3.485 -8.236 17.565 1.00 14.25 H new ATOM 0 HG2 LYS A 72 -3.954 -5.916 18.013 1.00 73.11 H new ATOM 0 HG3 LYS A 72 -3.588 -6.052 16.304 1.00 73.11 H new ATOM 0 HD2 LYS A 72 -5.487 -4.637 16.326 1.00 44.44 H new ATOM 0 HD3 LYS A 72 -6.168 -6.202 15.930 1.00 44.44 H new ATOM 0 HE2 LYS A 72 -6.155 -4.971 18.725 1.00 53.12 H new ATOM 0 HE3 LYS A 72 -7.515 -4.925 17.621 1.00 53.12 H new ATOM 0 HZ1 LYS A 72 -8.033 -6.704 18.917 1.00 4.53 H new ATOM 0 HZ2 LYS A 72 -7.224 -7.495 17.652 1.00 4.53 H new ATOM 0 HZ3 LYS A 72 -6.422 -7.198 19.119 1.00 4.53 H new ATOM 1128 N ALA A 73 -3.303 -8.706 13.812 1.00 4.33 N ATOM 1129 CA ALA A 73 -2.105 -9.044 13.011 1.00 51.44 C ATOM 1130 C ALA A 73 -1.214 -7.797 12.841 1.00 32.24 C ATOM 1131 O ALA A 73 -1.592 -6.862 12.125 1.00 52.12 O ATOM 1132 CB ALA A 73 -2.517 -9.614 11.642 1.00 43.33 C ATOM 0 H ALA A 73 -4.027 -8.220 13.282 1.00 4.33 H new ATOM 0 HA ALA A 73 -1.533 -9.808 13.537 1.00 51.44 H new ATOM 0 HB1 ALA A 73 -1.624 -9.857 11.066 1.00 43.33 H new ATOM 0 HB2 ALA A 73 -3.112 -10.516 11.787 1.00 43.33 H new ATOM 0 HB3 ALA A 73 -3.107 -8.873 11.102 1.00 43.33 H new ATOM 1138 N ARG A 74 -0.044 -7.778 13.515 1.00 62.24 N ATOM 1139 CA ARG A 74 0.885 -6.623 13.467 1.00 33.33 C ATOM 1140 C ARG A 74 1.565 -6.477 12.081 1.00 73.32 C ATOM 1141 O ARG A 74 1.691 -7.439 11.315 1.00 35.35 O ATOM 1142 CB ARG A 74 1.990 -6.718 14.560 1.00 31.42 C ATOM 1143 CG ARG A 74 1.497 -6.781 16.030 1.00 72.14 C ATOM 1144 CD ARG A 74 2.659 -6.619 17.034 1.00 20.42 C ATOM 1145 NE ARG A 74 2.227 -6.740 18.438 1.00 40.44 N ATOM 1146 CZ ARG A 74 2.916 -6.320 19.480 1.00 71.12 C ATOM 1147 NH1 ARG A 74 4.074 -5.744 19.340 1.00 41.43 N ATOM 1148 NH2 ARG A 74 2.442 -6.504 20.666 1.00 71.34 N ATOM 0 H ARG A 74 0.282 -8.548 14.099 1.00 62.24 H new ATOM 0 HA ARG A 74 0.270 -5.743 13.655 1.00 33.33 H new ATOM 0 HB2 ARG A 74 2.592 -7.605 14.362 1.00 31.42 H new ATOM 0 HB3 ARG A 74 2.649 -5.856 14.456 1.00 31.42 H new ATOM 0 HG2 ARG A 74 0.759 -5.997 16.199 1.00 72.14 H new ATOM 0 HG3 ARG A 74 0.996 -7.733 16.205 1.00 72.14 H new ATOM 0 HD2 ARG A 74 3.419 -7.373 16.827 1.00 20.42 H new ATOM 0 HD3 ARG A 74 3.127 -5.646 16.886 1.00 20.42 H new ATOM 0 HE ARG A 74 1.326 -7.183 18.617 1.00 40.44 H new ATOM 0 HH11 ARG A 74 4.467 -5.609 18.409 1.00 41.43 H new ATOM 0 HH12 ARG A 74 4.589 -5.427 20.162 1.00 41.43 H new ATOM 0 HH21 ARG A 74 1.543 -6.970 20.789 1.00 71.34 H new ATOM 0 HH22 ARG A 74 2.966 -6.183 21.480 1.00 71.34 H new ATOM 1162 N GLY A 75 1.969 -5.245 11.767 1.00 12.22 N ATOM 1163 CA GLY A 75 2.843 -4.965 10.626 1.00 71.13 C ATOM 1164 C GLY A 75 3.731 -3.749 10.872 1.00 1.34 C ATOM 1165 O GLY A 75 3.373 -2.850 11.644 1.00 64.33 O ATOM 0 H GLY A 75 1.700 -4.415 12.295 1.00 12.22 H new ATOM 0 HA2 GLY A 75 3.468 -5.836 10.425 1.00 71.13 H new ATOM 0 HA3 GLY A 75 2.236 -4.797 9.737 1.00 71.13 H new ATOM 1169 N TRP A 76 4.889 -3.712 10.203 1.00 62.42 N ATOM 1170 CA TRP A 76 5.825 -2.567 10.265 1.00 11.41 C ATOM 1171 C TRP A 76 5.982 -1.938 8.860 1.00 3.54 C ATOM 1172 O TRP A 76 5.760 -2.590 7.835 1.00 52.10 O ATOM 1173 CB TRP A 76 7.194 -3.003 10.858 1.00 54.21 C ATOM 1174 CG TRP A 76 7.919 -4.062 10.052 1.00 65.55 C ATOM 1175 CD1 TRP A 76 7.813 -5.425 10.178 1.00 23.23 C ATOM 1176 CD2 TRP A 76 8.867 -3.832 8.992 1.00 51.54 C ATOM 1177 NE1 TRP A 76 8.611 -6.041 9.253 1.00 51.14 N ATOM 1178 CE2 TRP A 76 9.275 -5.087 8.523 1.00 13.13 C ATOM 1179 CE3 TRP A 76 9.401 -2.680 8.396 1.00 24.44 C ATOM 1180 CZ2 TRP A 76 10.189 -5.233 7.485 1.00 41.32 C ATOM 1181 CZ3 TRP A 76 10.312 -2.823 7.367 1.00 21.13 C ATOM 1182 CH2 TRP A 76 10.699 -4.093 6.918 1.00 14.14 C ATOM 0 H TRP A 76 5.210 -4.471 9.602 1.00 62.42 H new ATOM 0 HA TRP A 76 5.415 -1.808 10.931 1.00 11.41 H new ATOM 0 HB2 TRP A 76 7.835 -2.126 10.942 1.00 54.21 H new ATOM 0 HB3 TRP A 76 7.035 -3.379 11.869 1.00 54.21 H new ATOM 0 HD1 TRP A 76 7.192 -5.935 10.900 1.00 23.23 H new ATOM 0 HE1 TRP A 76 8.699 -7.049 9.126 1.00 51.14 H new ATOM 0 HE3 TRP A 76 9.105 -1.698 8.735 1.00 24.44 H new ATOM 0 HZ2 TRP A 76 10.487 -6.211 7.137 1.00 41.32 H new ATOM 0 HZ3 TRP A 76 10.732 -1.943 6.902 1.00 21.13 H new ATOM 0 HH2 TRP A 76 11.412 -4.175 6.111 1.00 14.14 H new ATOM 1193 N TRP A 77 6.347 -0.659 8.831 1.00 23.52 N ATOM 1194 CA TRP A 77 6.467 0.126 7.577 1.00 22.03 C ATOM 1195 C TRP A 77 7.760 0.974 7.609 1.00 61.15 C ATOM 1196 O TRP A 77 8.183 1.404 8.682 1.00 42.24 O ATOM 1197 CB TRP A 77 5.193 1.031 7.457 1.00 12.44 C ATOM 1198 CG TRP A 77 4.478 1.015 6.131 1.00 24.22 C ATOM 1199 CD1 TRP A 77 4.307 -0.045 5.279 1.00 14.14 C ATOM 1200 CD2 TRP A 77 3.772 2.112 5.546 1.00 30.02 C ATOM 1201 NE1 TRP A 77 3.565 0.345 4.195 1.00 50.11 N ATOM 1202 CE2 TRP A 77 3.221 1.668 4.343 1.00 41.54 C ATOM 1203 CE3 TRP A 77 3.567 3.433 5.929 1.00 64.44 C ATOM 1204 CZ2 TRP A 77 2.472 2.504 3.516 1.00 20.44 C ATOM 1205 CZ3 TRP A 77 2.828 4.256 5.111 1.00 42.53 C ATOM 1206 CH2 TRP A 77 2.287 3.789 3.916 1.00 62.25 C ATOM 0 H TRP A 77 6.571 -0.125 9.670 1.00 23.52 H new ATOM 0 HA TRP A 77 6.530 -0.530 6.709 1.00 22.03 H new ATOM 0 HB2 TRP A 77 4.486 0.728 8.229 1.00 12.44 H new ATOM 0 HB3 TRP A 77 5.483 2.059 7.676 1.00 12.44 H new ATOM 0 HD1 TRP A 77 4.698 -1.039 5.438 1.00 14.14 H new ATOM 0 HE1 TRP A 77 3.309 -0.249 3.407 1.00 50.11 H new ATOM 0 HE3 TRP A 77 3.981 3.807 6.854 1.00 64.44 H new ATOM 0 HZ2 TRP A 77 2.053 2.142 2.589 1.00 20.44 H new ATOM 0 HZ3 TRP A 77 2.664 5.283 5.401 1.00 42.53 H new ATOM 0 HH2 TRP A 77 1.710 4.460 3.296 1.00 62.25 H new ATOM 1217 N GLN A 78 8.384 1.216 6.441 1.00 44.01 N ATOM 1218 CA GLN A 78 9.584 2.090 6.341 1.00 24.01 C ATOM 1219 C GLN A 78 9.571 2.912 5.036 1.00 44.32 C ATOM 1220 O GLN A 78 9.567 2.348 3.948 1.00 23.20 O ATOM 1221 CB GLN A 78 10.893 1.256 6.431 1.00 53.40 C ATOM 1222 CG GLN A 78 12.183 2.113 6.342 1.00 31.04 C ATOM 1223 CD GLN A 78 13.483 1.315 6.450 1.00 64.34 C ATOM 1224 OE1 GLN A 78 13.552 0.148 6.074 1.00 21.32 O ATOM 1225 NE2 GLN A 78 14.527 1.943 6.964 1.00 15.30 N ATOM 0 H GLN A 78 8.083 0.822 5.550 1.00 44.01 H new ATOM 0 HA GLN A 78 9.552 2.781 7.184 1.00 24.01 H new ATOM 0 HB2 GLN A 78 10.898 0.704 7.371 1.00 53.40 H new ATOM 0 HB3 GLN A 78 10.900 0.519 5.628 1.00 53.40 H new ATOM 0 HG2 GLN A 78 12.181 2.653 5.395 1.00 31.04 H new ATOM 0 HG3 GLN A 78 12.163 2.860 7.135 1.00 31.04 H new ATOM 0 HE21 GLN A 78 14.440 2.913 7.268 1.00 15.30 H new ATOM 0 HE22 GLN A 78 15.419 1.458 7.057 1.00 15.30 H new ATOM 1234 N PHE A 79 9.598 4.249 5.168 1.00 75.12 N ATOM 1235 CA PHE A 79 9.628 5.188 4.024 1.00 54.12 C ATOM 1236 C PHE A 79 11.069 5.346 3.478 1.00 34.44 C ATOM 1237 O PHE A 79 11.998 5.626 4.240 1.00 14.32 O ATOM 1238 CB PHE A 79 9.097 6.574 4.454 1.00 3.34 C ATOM 1239 CG PHE A 79 7.726 6.546 5.119 1.00 21.21 C ATOM 1240 CD1 PHE A 79 6.558 6.618 4.360 1.00 4.42 C ATOM 1241 CD2 PHE A 79 7.609 6.453 6.507 1.00 15.20 C ATOM 1242 CE1 PHE A 79 5.325 6.601 4.972 1.00 72.31 C ATOM 1243 CE2 PHE A 79 6.375 6.432 7.116 1.00 24.21 C ATOM 1244 CZ PHE A 79 5.234 6.509 6.350 1.00 72.30 C ATOM 0 H PHE A 79 9.600 4.716 6.075 1.00 75.12 H new ATOM 0 HA PHE A 79 8.992 4.778 3.239 1.00 54.12 H new ATOM 0 HB2 PHE A 79 9.812 7.026 5.142 1.00 3.34 H new ATOM 0 HB3 PHE A 79 9.048 7.219 3.577 1.00 3.34 H new ATOM 0 HD1 PHE A 79 6.621 6.688 3.284 1.00 4.42 H new ATOM 0 HD2 PHE A 79 8.501 6.397 7.113 1.00 15.20 H new ATOM 0 HE1 PHE A 79 4.427 6.660 4.375 1.00 72.31 H new ATOM 0 HE2 PHE A 79 6.302 6.355 8.191 1.00 24.21 H new ATOM 0 HZ PHE A 79 4.265 6.498 6.826 1.00 72.30 H new ATOM 1254 N THR A 80 11.238 5.172 2.159 1.00 33.24 N ATOM 1255 CA THR A 80 12.557 5.291 1.478 1.00 71.42 C ATOM 1256 C THR A 80 12.666 6.571 0.616 1.00 50.30 C ATOM 1257 O THR A 80 13.717 7.227 0.598 1.00 11.40 O ATOM 1258 CB THR A 80 12.821 4.041 0.581 1.00 73.05 C ATOM 1259 OG1 THR A 80 11.708 3.839 -0.310 1.00 11.24 O ATOM 1260 CG2 THR A 80 13.037 2.772 1.425 1.00 1.43 C ATOM 0 H THR A 80 10.471 4.945 1.526 1.00 33.24 H new ATOM 0 HA THR A 80 13.310 5.353 2.264 1.00 71.42 H new ATOM 0 HB THR A 80 13.730 4.227 0.009 1.00 73.05 H new ATOM 0 HG1 THR A 80 12.038 3.732 -1.227 1.00 11.24 H new ATOM 0 HG21 THR A 80 13.218 1.923 0.766 1.00 1.43 H new ATOM 0 HG22 THR A 80 13.897 2.913 2.080 1.00 1.43 H new ATOM 0 HG23 THR A 80 12.149 2.581 2.028 1.00 1.43 H new ATOM 1268 N THR A 81 11.582 6.923 -0.098 1.00 2.22 N ATOM 1269 CA THR A 81 11.573 8.069 -1.045 1.00 40.22 C ATOM 1270 C THR A 81 10.220 8.814 -1.000 1.00 14.21 C ATOM 1271 O THR A 81 9.217 8.319 -1.503 1.00 12.53 O ATOM 1272 CB THR A 81 11.879 7.606 -2.520 1.00 12.33 C ATOM 1273 OG1 THR A 81 13.170 6.975 -2.594 1.00 34.03 O ATOM 1274 CG2 THR A 81 11.826 8.770 -3.530 1.00 32.52 C ATOM 0 H THR A 81 10.691 6.430 -0.041 1.00 2.22 H new ATOM 0 HA THR A 81 12.363 8.750 -0.729 1.00 40.22 H new ATOM 0 HB THR A 81 11.098 6.894 -2.788 1.00 12.33 H new ATOM 0 HG1 THR A 81 13.343 6.692 -3.516 1.00 34.03 H new ATOM 0 HG21 THR A 81 12.044 8.395 -4.530 1.00 32.52 H new ATOM 0 HG22 THR A 81 10.832 9.216 -3.519 1.00 32.52 H new ATOM 0 HG23 THR A 81 12.565 9.523 -3.256 1.00 32.52 H new ATOM 1282 N ILE A 82 10.209 10.017 -0.397 1.00 14.23 N ATOM 1283 CA ILE A 82 9.014 10.883 -0.331 1.00 3.42 C ATOM 1284 C ILE A 82 9.316 12.223 -1.030 1.00 14.23 C ATOM 1285 O ILE A 82 10.004 13.088 -0.472 1.00 63.22 O ATOM 1286 CB ILE A 82 8.540 11.141 1.146 1.00 22.41 C ATOM 1287 CG1 ILE A 82 8.363 9.793 1.911 1.00 22.30 C ATOM 1288 CG2 ILE A 82 7.227 11.974 1.165 1.00 73.52 C ATOM 1289 CD1 ILE A 82 7.750 9.917 3.285 1.00 73.52 C ATOM 0 H ILE A 82 11.029 10.418 0.059 1.00 14.23 H new ATOM 0 HA ILE A 82 8.201 10.366 -0.841 1.00 3.42 H new ATOM 0 HB ILE A 82 9.310 11.719 1.658 1.00 22.41 H new ATOM 0 HG12 ILE A 82 7.741 9.130 1.310 1.00 22.30 H new ATOM 0 HG13 ILE A 82 9.338 9.315 2.006 1.00 22.30 H new ATOM 0 HG21 ILE A 82 6.917 12.141 2.197 1.00 73.52 H new ATOM 0 HG22 ILE A 82 7.398 12.934 0.678 1.00 73.52 H new ATOM 0 HG23 ILE A 82 6.444 11.432 0.634 1.00 73.52 H new ATOM 0 HD11 ILE A 82 7.668 8.929 3.737 1.00 73.52 H new ATOM 0 HD12 ILE A 82 8.381 10.550 3.909 1.00 73.52 H new ATOM 0 HD13 ILE A 82 6.758 10.362 3.202 1.00 73.52 H new ATOM 1301 N GLU A 83 8.824 12.360 -2.261 1.00 34.02 N ATOM 1302 CA GLU A 83 9.036 13.562 -3.090 1.00 32.41 C ATOM 1303 C GLU A 83 7.878 14.570 -2.901 1.00 50.23 C ATOM 1304 O GLU A 83 8.114 15.751 -2.627 1.00 45.41 O ATOM 1305 CB GLU A 83 9.162 13.135 -4.576 1.00 34.42 C ATOM 1306 CG GLU A 83 10.267 12.086 -4.843 1.00 22.43 C ATOM 1307 CD GLU A 83 11.694 12.608 -4.609 1.00 44.32 C ATOM 1308 OE1 GLU A 83 12.249 13.256 -5.517 1.00 74.11 O ATOM 1309 OE2 GLU A 83 12.269 12.363 -3.531 1.00 63.04 O ATOM 0 H GLU A 83 8.264 11.641 -2.720 1.00 34.02 H new ATOM 0 HA GLU A 83 9.955 14.059 -2.780 1.00 32.41 H new ATOM 0 HB2 GLU A 83 8.206 12.731 -4.909 1.00 34.42 H new ATOM 0 HB3 GLU A 83 9.363 14.019 -5.181 1.00 34.42 H new ATOM 0 HG2 GLU A 83 10.097 11.222 -4.200 1.00 22.43 H new ATOM 0 HG3 GLU A 83 10.183 11.738 -5.873 1.00 22.43 H new ATOM 1316 N ALA A 84 6.632 14.057 -3.045 1.00 33.31 N ATOM 1317 CA ALA A 84 5.372 14.848 -2.964 1.00 62.42 C ATOM 1318 C ALA A 84 5.216 15.874 -4.139 1.00 72.43 C ATOM 1319 O ALA A 84 6.189 16.512 -4.546 1.00 3.44 O ATOM 1320 CB ALA A 84 5.213 15.534 -1.583 1.00 23.04 C ATOM 0 H ALA A 84 6.468 13.066 -3.224 1.00 33.31 H new ATOM 0 HA ALA A 84 4.558 14.132 -3.074 1.00 62.42 H new ATOM 0 HB1 ALA A 84 4.282 16.101 -1.563 1.00 23.04 H new ATOM 0 HB2 ALA A 84 5.192 14.776 -0.800 1.00 23.04 H new ATOM 0 HB3 ALA A 84 6.052 16.208 -1.413 1.00 23.04 H new ATOM 1326 N PRO A 85 3.978 16.071 -4.704 1.00 4.12 N ATOM 1327 CA PRO A 85 2.727 15.399 -4.261 1.00 33.12 C ATOM 1328 C PRO A 85 2.423 14.067 -4.995 1.00 11.12 C ATOM 1329 O PRO A 85 1.370 13.483 -4.776 1.00 62.22 O ATOM 1330 CB PRO A 85 1.679 16.474 -4.603 1.00 73.33 C ATOM 1331 CG PRO A 85 2.177 17.075 -5.893 1.00 44.31 C ATOM 1332 CD PRO A 85 3.702 17.015 -5.830 1.00 55.50 C ATOM 0 HA PRO A 85 2.765 15.093 -3.216 1.00 33.12 H new ATOM 0 HB2 PRO A 85 0.687 16.040 -4.723 1.00 73.33 H new ATOM 0 HB3 PRO A 85 1.606 17.224 -3.816 1.00 73.33 H new ATOM 0 HG2 PRO A 85 1.801 16.520 -6.752 1.00 44.31 H new ATOM 0 HG3 PRO A 85 1.832 18.103 -6.002 1.00 44.31 H new ATOM 0 HD2 PRO A 85 4.127 16.655 -6.767 1.00 55.50 H new ATOM 0 HD3 PRO A 85 4.133 17.998 -5.642 1.00 55.50 H new ATOM 1340 N ASP A 86 3.346 13.600 -5.857 1.00 54.42 N ATOM 1341 CA ASP A 86 3.105 12.439 -6.756 1.00 13.21 C ATOM 1342 C ASP A 86 3.905 11.163 -6.364 1.00 20.10 C ATOM 1343 O ASP A 86 3.318 10.087 -6.192 1.00 74.13 O ATOM 1344 CB ASP A 86 3.384 12.858 -8.229 1.00 1.24 C ATOM 1345 CG ASP A 86 4.743 13.553 -8.426 1.00 54.02 C ATOM 1346 OD1 ASP A 86 4.814 14.790 -8.262 1.00 65.35 O ATOM 1347 OD2 ASP A 86 5.744 12.871 -8.731 1.00 43.22 O ATOM 0 H ASP A 86 4.275 14.009 -5.955 1.00 54.42 H new ATOM 0 HA ASP A 86 2.058 12.158 -6.646 1.00 13.21 H new ATOM 0 HB2 ASP A 86 3.343 11.973 -8.864 1.00 1.24 H new ATOM 0 HB3 ASP A 86 2.591 13.527 -8.564 1.00 1.24 H new ATOM 1352 N HIS A 87 5.241 11.280 -6.235 1.00 24.40 N ATOM 1353 CA HIS A 87 6.137 10.114 -6.027 1.00 5.20 C ATOM 1354 C HIS A 87 6.310 9.776 -4.518 1.00 62.24 C ATOM 1355 O HIS A 87 6.759 10.605 -3.718 1.00 53.20 O ATOM 1356 CB HIS A 87 7.507 10.389 -6.709 1.00 35.30 C ATOM 1357 CG HIS A 87 8.518 9.255 -6.701 1.00 31.54 C ATOM 1358 ND1 HIS A 87 9.812 9.408 -7.169 1.00 13.22 N ATOM 1359 CD2 HIS A 87 8.438 7.955 -6.300 1.00 43.32 C ATOM 1360 CE1 HIS A 87 10.463 8.267 -7.063 1.00 25.44 C ATOM 1361 NE2 HIS A 87 9.655 7.377 -6.539 1.00 33.52 N ATOM 0 H HIS A 87 5.731 12.174 -6.271 1.00 24.40 H new ATOM 0 HA HIS A 87 5.680 9.238 -6.487 1.00 5.20 H new ATOM 0 HB2 HIS A 87 7.320 10.669 -7.746 1.00 35.30 H new ATOM 0 HB3 HIS A 87 7.961 11.252 -6.222 1.00 35.30 H new ATOM 0 HD2 HIS A 87 7.573 7.470 -5.872 1.00 43.32 H new ATOM 0 HE1 HIS A 87 11.488 8.094 -7.358 1.00 25.44 H new ATOM 0 HE2 HIS A 87 9.896 6.406 -6.341 1.00 33.52 H new ATOM 1370 N LEU A 88 5.962 8.524 -4.177 1.00 64.21 N ATOM 1371 CA LEU A 88 6.157 7.919 -2.843 1.00 50.13 C ATOM 1372 C LEU A 88 6.761 6.508 -3.001 1.00 50.52 C ATOM 1373 O LEU A 88 6.432 5.796 -3.951 1.00 13.03 O ATOM 1374 CB LEU A 88 4.801 7.829 -2.094 1.00 72.45 C ATOM 1375 CG LEU A 88 4.812 7.157 -0.686 1.00 20.33 C ATOM 1376 CD1 LEU A 88 5.712 7.914 0.308 1.00 75.42 C ATOM 1377 CD2 LEU A 88 3.382 7.013 -0.137 1.00 0.43 C ATOM 0 H LEU A 88 5.524 7.884 -4.839 1.00 64.21 H new ATOM 0 HA LEU A 88 6.838 8.543 -2.264 1.00 50.13 H new ATOM 0 HB2 LEU A 88 4.407 8.839 -1.984 1.00 72.45 H new ATOM 0 HB3 LEU A 88 4.101 7.281 -2.725 1.00 72.45 H new ATOM 0 HG LEU A 88 5.236 6.160 -0.806 1.00 20.33 H new ATOM 0 HD11 LEU A 88 5.690 7.411 1.275 1.00 75.42 H new ATOM 0 HD12 LEU A 88 6.735 7.932 -0.068 1.00 75.42 H new ATOM 0 HD13 LEU A 88 5.349 8.936 0.422 1.00 75.42 H new ATOM 0 HD21 LEU A 88 3.415 6.542 0.845 1.00 0.43 H new ATOM 0 HD22 LEU A 88 2.924 7.998 -0.052 1.00 0.43 H new ATOM 0 HD23 LEU A 88 2.792 6.396 -0.815 1.00 0.43 H new ATOM 1389 N GLU A 89 7.665 6.128 -2.083 1.00 20.23 N ATOM 1390 CA GLU A 89 8.220 4.763 -1.985 1.00 35.50 C ATOM 1391 C GLU A 89 8.410 4.372 -0.514 1.00 62.04 C ATOM 1392 O GLU A 89 8.819 5.192 0.323 1.00 45.42 O ATOM 1393 CB GLU A 89 9.571 4.606 -2.738 1.00 2.45 C ATOM 1394 CG GLU A 89 9.463 4.671 -4.268 1.00 1.31 C ATOM 1395 CD GLU A 89 10.764 4.303 -4.985 1.00 65.14 C ATOM 1396 OE1 GLU A 89 11.066 3.093 -5.075 1.00 72.44 O ATOM 1397 OE2 GLU A 89 11.488 5.209 -5.451 1.00 11.24 O ATOM 0 H GLU A 89 8.037 6.765 -1.379 1.00 20.23 H new ATOM 0 HA GLU A 89 7.499 4.099 -2.462 1.00 35.50 H new ATOM 0 HB2 GLU A 89 10.252 5.388 -2.402 1.00 2.45 H new ATOM 0 HB3 GLU A 89 10.018 3.652 -2.459 1.00 2.45 H new ATOM 0 HG2 GLU A 89 8.672 3.998 -4.598 1.00 1.31 H new ATOM 0 HG3 GLU A 89 9.167 5.678 -4.562 1.00 1.31 H new ATOM 1404 N PHE A 90 8.129 3.101 -0.234 1.00 74.22 N ATOM 1405 CA PHE A 90 8.205 2.512 1.109 1.00 71.45 C ATOM 1406 C PHE A 90 8.334 0.983 1.010 1.00 72.35 C ATOM 1407 O PHE A 90 8.299 0.421 -0.085 1.00 52.43 O ATOM 1408 CB PHE A 90 6.964 2.915 1.963 1.00 21.01 C ATOM 1409 CG PHE A 90 5.621 2.595 1.309 1.00 33.54 C ATOM 1410 CD1 PHE A 90 5.094 1.304 1.329 1.00 14.45 C ATOM 1411 CD2 PHE A 90 4.892 3.588 0.658 1.00 35.53 C ATOM 1412 CE1 PHE A 90 3.887 1.027 0.724 1.00 60.33 C ATOM 1413 CE2 PHE A 90 3.690 3.301 0.054 1.00 25.44 C ATOM 1414 CZ PHE A 90 3.186 2.023 0.086 1.00 73.22 C ATOM 0 H PHE A 90 7.835 2.434 -0.948 1.00 74.22 H new ATOM 0 HA PHE A 90 9.092 2.901 1.610 1.00 71.45 H new ATOM 0 HB2 PHE A 90 7.018 2.404 2.924 1.00 21.01 H new ATOM 0 HB3 PHE A 90 7.010 3.985 2.167 1.00 21.01 H new ATOM 0 HD1 PHE A 90 5.638 0.513 1.824 1.00 14.45 H new ATOM 0 HD2 PHE A 90 5.276 4.597 0.627 1.00 35.53 H new ATOM 0 HE1 PHE A 90 3.490 0.023 0.751 1.00 60.33 H new ATOM 0 HE2 PHE A 90 3.140 4.083 -0.448 1.00 25.44 H new ATOM 0 HZ PHE A 90 2.242 1.801 -0.389 1.00 73.22 H new ATOM 1424 N ASP A 91 8.486 0.330 2.163 1.00 60.12 N ATOM 1425 CA ASP A 91 8.553 -1.135 2.270 1.00 32.10 C ATOM 1426 C ASP A 91 7.440 -1.663 3.200 1.00 20.00 C ATOM 1427 O ASP A 91 7.446 -1.386 4.413 1.00 10.21 O ATOM 1428 CB ASP A 91 9.947 -1.560 2.787 1.00 21.14 C ATOM 1429 CG ASP A 91 11.070 -1.249 1.782 1.00 65.04 C ATOM 1430 OD1 ASP A 91 11.470 -0.071 1.677 1.00 43.43 O ATOM 1431 OD2 ASP A 91 11.545 -2.170 1.081 1.00 64.00 O ATOM 0 H ASP A 91 8.567 0.806 3.062 1.00 60.12 H new ATOM 0 HA ASP A 91 8.399 -1.569 1.282 1.00 32.10 H new ATOM 0 HB2 ASP A 91 10.154 -1.048 3.727 1.00 21.14 H new ATOM 0 HB3 ASP A 91 9.941 -2.629 3.001 1.00 21.14 H new ATOM 1436 N ASP A 92 6.471 -2.381 2.609 1.00 40.41 N ATOM 1437 CA ASP A 92 5.452 -3.134 3.355 1.00 40.21 C ATOM 1438 C ASP A 92 6.102 -4.339 4.068 1.00 1.41 C ATOM 1439 O ASP A 92 6.635 -5.255 3.417 1.00 44.53 O ATOM 1440 CB ASP A 92 4.334 -3.646 2.415 1.00 42.34 C ATOM 1441 CG ASP A 92 3.763 -2.546 1.526 1.00 12.34 C ATOM 1442 OD1 ASP A 92 2.873 -1.802 1.989 1.00 64.15 O ATOM 1443 OD2 ASP A 92 4.225 -2.409 0.369 1.00 71.55 O ATOM 0 H ASP A 92 6.373 -2.455 1.596 1.00 40.41 H new ATOM 0 HA ASP A 92 5.011 -2.460 4.089 1.00 40.21 H new ATOM 0 HB2 ASP A 92 4.730 -4.445 1.788 1.00 42.34 H new ATOM 0 HB3 ASP A 92 3.531 -4.077 3.013 1.00 42.34 H new ATOM 1448 N GLY A 93 6.079 -4.313 5.400 1.00 60.34 N ATOM 1449 CA GLY A 93 6.566 -5.423 6.211 1.00 45.30 C ATOM 1450 C GLY A 93 5.485 -5.978 7.128 1.00 44.41 C ATOM 1451 O GLY A 93 4.692 -5.222 7.697 1.00 61.04 O ATOM 0 H GLY A 93 5.724 -3.526 5.943 1.00 60.34 H new ATOM 0 HA2 GLY A 93 6.930 -6.216 5.558 1.00 45.30 H new ATOM 0 HA3 GLY A 93 7.413 -5.090 6.810 1.00 45.30 H new ATOM 1455 N PHE A 94 5.436 -7.304 7.257 1.00 61.01 N ATOM 1456 CA PHE A 94 4.552 -7.987 8.221 1.00 54.43 C ATOM 1457 C PHE A 94 5.316 -8.204 9.539 1.00 70.13 C ATOM 1458 O PHE A 94 6.534 -8.403 9.527 1.00 10.25 O ATOM 1459 CB PHE A 94 4.059 -9.337 7.634 1.00 42.14 C ATOM 1460 CG PHE A 94 3.175 -9.181 6.396 1.00 12.21 C ATOM 1461 CD1 PHE A 94 3.728 -9.132 5.114 1.00 11.31 C ATOM 1462 CD2 PHE A 94 1.786 -9.073 6.519 1.00 71.34 C ATOM 1463 CE1 PHE A 94 2.923 -8.980 4.002 1.00 44.40 C ATOM 1464 CE2 PHE A 94 0.984 -8.923 5.403 1.00 71.40 C ATOM 1465 CZ PHE A 94 1.553 -8.877 4.144 1.00 52.33 C ATOM 0 H PHE A 94 6.005 -7.941 6.699 1.00 61.01 H new ATOM 0 HA PHE A 94 3.675 -7.370 8.418 1.00 54.43 H new ATOM 0 HB2 PHE A 94 4.924 -9.949 7.378 1.00 42.14 H new ATOM 0 HB3 PHE A 94 3.503 -9.876 8.401 1.00 42.14 H new ATOM 0 HD1 PHE A 94 4.798 -9.214 4.991 1.00 11.31 H new ATOM 0 HD2 PHE A 94 1.334 -9.107 7.499 1.00 71.34 H new ATOM 0 HE1 PHE A 94 3.366 -8.942 3.018 1.00 44.40 H new ATOM 0 HE2 PHE A 94 -0.087 -8.842 5.515 1.00 71.40 H new ATOM 0 HZ PHE A 94 0.927 -8.761 3.272 1.00 52.33 H new ATOM 1475 N ALA A 95 4.603 -8.159 10.670 1.00 42.54 N ATOM 1476 CA ALA A 95 5.193 -8.349 12.011 1.00 53.14 C ATOM 1477 C ALA A 95 4.362 -9.365 12.820 1.00 54.03 C ATOM 1478 O ALA A 95 3.132 -9.391 12.714 1.00 22.12 O ATOM 1479 CB ALA A 95 5.291 -6.996 12.732 1.00 33.01 C ATOM 0 H ALA A 95 3.597 -7.990 10.687 1.00 42.54 H new ATOM 0 HA ALA A 95 6.201 -8.753 11.912 1.00 53.14 H new ATOM 0 HB1 ALA A 95 5.727 -7.141 13.721 1.00 33.01 H new ATOM 0 HB2 ALA A 95 5.921 -6.320 12.154 1.00 33.01 H new ATOM 0 HB3 ALA A 95 4.295 -6.565 12.834 1.00 33.01 H new ATOM 1485 N ASP A 96 5.038 -10.215 13.610 1.00 2.22 N ATOM 1486 CA ASP A 96 4.361 -11.256 14.430 1.00 5.21 C ATOM 1487 C ASP A 96 3.781 -10.633 15.738 1.00 42.24 C ATOM 1488 O ASP A 96 3.729 -9.405 15.865 1.00 4.41 O ATOM 1489 CB ASP A 96 5.354 -12.425 14.721 1.00 73.31 C ATOM 1490 CG ASP A 96 6.329 -12.146 15.878 1.00 15.41 C ATOM 1491 OD1 ASP A 96 7.082 -11.161 15.812 1.00 44.23 O ATOM 1492 OD2 ASP A 96 6.289 -12.875 16.886 1.00 14.21 O ATOM 0 H ASP A 96 6.054 -10.209 13.704 1.00 2.22 H new ATOM 0 HA ASP A 96 3.518 -11.666 13.875 1.00 5.21 H new ATOM 0 HB2 ASP A 96 4.783 -13.325 14.950 1.00 73.31 H new ATOM 0 HB3 ASP A 96 5.928 -12.633 13.818 1.00 73.31 H new ATOM 1497 N GLU A 97 3.365 -11.475 16.710 1.00 64.33 N ATOM 1498 CA GLU A 97 2.794 -10.997 17.999 1.00 52.20 C ATOM 1499 C GLU A 97 3.798 -10.144 18.828 1.00 24.10 C ATOM 1500 O GLU A 97 3.390 -9.403 19.726 1.00 44.45 O ATOM 1501 CB GLU A 97 2.313 -12.188 18.867 1.00 44.24 C ATOM 1502 CG GLU A 97 3.435 -13.129 19.367 1.00 50.35 C ATOM 1503 CD GLU A 97 2.954 -14.109 20.449 1.00 41.35 C ATOM 1504 OE1 GLU A 97 2.441 -15.190 20.107 1.00 45.43 O ATOM 1505 OE2 GLU A 97 3.077 -13.787 21.654 1.00 21.21 O ATOM 0 H GLU A 97 3.412 -12.491 16.631 1.00 64.33 H new ATOM 0 HA GLU A 97 1.950 -10.361 17.733 1.00 52.20 H new ATOM 0 HB2 GLU A 97 1.777 -11.795 19.731 1.00 44.24 H new ATOM 0 HB3 GLU A 97 1.599 -12.774 18.289 1.00 44.24 H new ATOM 0 HG2 GLU A 97 3.832 -13.693 18.523 1.00 50.35 H new ATOM 0 HG3 GLU A 97 4.255 -12.530 19.764 1.00 50.35 H new ATOM 1512 N HIS A 98 5.109 -10.286 18.542 1.00 53.04 N ATOM 1513 CA HIS A 98 6.176 -9.519 19.227 1.00 33.52 C ATOM 1514 C HIS A 98 6.576 -8.249 18.436 1.00 12.34 C ATOM 1515 O HIS A 98 7.055 -7.271 19.027 1.00 32.12 O ATOM 1516 CB HIS A 98 7.416 -10.422 19.465 1.00 70.15 C ATOM 1517 CG HIS A 98 7.126 -11.680 20.241 1.00 71.42 C ATOM 1518 ND1 HIS A 98 6.707 -11.683 21.551 1.00 14.03 N ATOM 1519 CD2 HIS A 98 7.175 -12.983 19.874 1.00 63.41 C ATOM 1520 CE1 HIS A 98 6.510 -12.923 21.950 1.00 33.43 C ATOM 1521 NE2 HIS A 98 6.788 -13.729 20.955 1.00 23.23 N ATOM 0 H HIS A 98 5.459 -10.931 17.834 1.00 53.04 H new ATOM 0 HA HIS A 98 5.781 -9.191 20.188 1.00 33.52 H new ATOM 0 HB2 HIS A 98 7.843 -10.695 18.500 1.00 70.15 H new ATOM 0 HB3 HIS A 98 8.173 -9.847 19.998 1.00 70.15 H new ATOM 0 HD2 HIS A 98 7.466 -13.364 18.906 1.00 63.41 H new ATOM 0 HE1 HIS A 98 6.176 -13.224 22.932 1.00 33.43 H new ATOM 0 HE2 HIS A 98 6.726 -14.747 20.981 1.00 23.23 H new ATOM 1530 N GLY A 99 6.371 -8.265 17.101 1.00 62.43 N ATOM 1531 CA GLY A 99 6.713 -7.121 16.229 1.00 51.32 C ATOM 1532 C GLY A 99 7.967 -7.342 15.369 1.00 11.34 C ATOM 1533 O GLY A 99 8.508 -6.388 14.792 1.00 73.42 O ATOM 0 H GLY A 99 5.969 -9.060 16.603 1.00 62.43 H new ATOM 0 HA2 GLY A 99 5.868 -6.912 15.573 1.00 51.32 H new ATOM 0 HA3 GLY A 99 6.862 -6.237 16.849 1.00 51.32 H new ATOM 1537 N ALA A 100 8.422 -8.603 15.275 1.00 73.11 N ATOM 1538 CA ALA A 100 9.565 -9.001 14.420 1.00 22.14 C ATOM 1539 C ALA A 100 9.117 -9.235 12.953 1.00 51.31 C ATOM 1540 O ALA A 100 8.013 -9.752 12.731 1.00 24.01 O ATOM 1541 CB ALA A 100 10.226 -10.269 14.982 1.00 51.45 C ATOM 0 H ALA A 100 8.009 -9.381 15.790 1.00 73.11 H new ATOM 0 HA ALA A 100 10.290 -8.187 14.423 1.00 22.14 H new ATOM 0 HB1 ALA A 100 11.065 -10.554 14.347 1.00 51.45 H new ATOM 0 HB2 ALA A 100 10.585 -10.075 15.993 1.00 51.45 H new ATOM 0 HB3 ALA A 100 9.497 -11.079 15.006 1.00 51.45 H new ATOM 1547 N PRO A 101 9.969 -8.867 11.929 1.00 22.31 N ATOM 1548 CA PRO A 101 9.651 -9.098 10.494 1.00 63.54 C ATOM 1549 C PRO A 101 9.365 -10.589 10.164 1.00 25.32 C ATOM 1550 O PRO A 101 10.254 -11.441 10.267 1.00 3.42 O ATOM 1551 CB PRO A 101 10.910 -8.566 9.737 1.00 13.44 C ATOM 1552 CG PRO A 101 11.987 -8.486 10.780 1.00 41.05 C ATOM 1553 CD PRO A 101 11.282 -8.179 12.082 1.00 14.01 C ATOM 0 HA PRO A 101 8.733 -8.588 10.200 1.00 63.54 H new ATOM 0 HB2 PRO A 101 11.195 -9.236 8.926 1.00 13.44 H new ATOM 0 HB3 PRO A 101 10.719 -7.590 9.291 1.00 13.44 H new ATOM 0 HG2 PRO A 101 12.537 -9.425 10.846 1.00 41.05 H new ATOM 0 HG3 PRO A 101 12.711 -7.709 10.535 1.00 41.05 H new ATOM 0 HD2 PRO A 101 11.838 -8.558 12.940 1.00 14.01 H new ATOM 0 HD3 PRO A 101 11.160 -7.106 12.230 1.00 14.01 H new ATOM 1561 N VAL A 102 8.096 -10.879 9.817 1.00 60.53 N ATOM 1562 CA VAL A 102 7.637 -12.216 9.387 1.00 71.05 C ATOM 1563 C VAL A 102 8.437 -12.706 8.148 1.00 2.33 C ATOM 1564 O VAL A 102 8.164 -12.319 7.011 1.00 54.23 O ATOM 1565 CB VAL A 102 6.081 -12.205 9.112 1.00 33.12 C ATOM 1566 CG1 VAL A 102 5.570 -13.532 8.511 1.00 72.15 C ATOM 1567 CG2 VAL A 102 5.298 -11.865 10.402 1.00 35.14 C ATOM 0 H VAL A 102 7.351 -10.183 9.827 1.00 60.53 H new ATOM 0 HA VAL A 102 7.826 -12.924 10.194 1.00 71.05 H new ATOM 0 HB VAL A 102 5.904 -11.428 8.369 1.00 33.12 H new ATOM 0 HG11 VAL A 102 4.495 -13.466 8.344 1.00 72.15 H new ATOM 0 HG12 VAL A 102 6.074 -13.720 7.563 1.00 72.15 H new ATOM 0 HG13 VAL A 102 5.780 -14.349 9.202 1.00 72.15 H new ATOM 0 HG21 VAL A 102 4.229 -11.863 10.189 1.00 35.14 H new ATOM 0 HG22 VAL A 102 5.514 -12.611 11.166 1.00 35.14 H new ATOM 0 HG23 VAL A 102 5.598 -10.881 10.761 1.00 35.14 H new ATOM 1577 N ASP A 103 9.460 -13.534 8.424 1.00 34.41 N ATOM 1578 CA ASP A 103 10.369 -14.118 7.401 1.00 55.12 C ATOM 1579 C ASP A 103 9.660 -15.189 6.531 1.00 31.31 C ATOM 1580 O ASP A 103 10.173 -15.594 5.482 1.00 5.25 O ATOM 1581 CB ASP A 103 11.637 -14.692 8.090 1.00 75.12 C ATOM 1582 CG ASP A 103 11.309 -15.631 9.263 1.00 22.01 C ATOM 1583 OD1 ASP A 103 11.044 -15.128 10.382 1.00 51.33 O ATOM 1584 OD2 ASP A 103 11.282 -16.867 9.075 1.00 60.25 O ATOM 0 H ASP A 103 9.688 -13.825 9.375 1.00 34.41 H new ATOM 0 HA ASP A 103 10.669 -13.321 6.720 1.00 55.12 H new ATOM 0 HB2 ASP A 103 12.231 -15.233 7.353 1.00 75.12 H new ATOM 0 HB3 ASP A 103 12.252 -13.868 8.452 1.00 75.12 H new ATOM 1589 N GLU A 104 8.493 -15.647 7.010 1.00 14.35 N ATOM 1590 CA GLU A 104 7.528 -16.450 6.227 1.00 65.32 C ATOM 1591 C GLU A 104 7.087 -15.702 4.937 1.00 23.23 C ATOM 1592 O GLU A 104 7.025 -16.285 3.847 1.00 42.40 O ATOM 1593 CB GLU A 104 6.286 -16.740 7.128 1.00 3.52 C ATOM 1594 CG GLU A 104 5.081 -17.432 6.452 1.00 63.52 C ATOM 1595 CD GLU A 104 5.277 -18.936 6.214 1.00 44.42 C ATOM 1596 OE1 GLU A 104 6.085 -19.308 5.346 1.00 50.13 O ATOM 1597 OE2 GLU A 104 4.619 -19.753 6.891 1.00 63.30 O ATOM 0 H GLU A 104 8.184 -15.470 7.966 1.00 14.35 H new ATOM 0 HA GLU A 104 8.003 -17.382 5.919 1.00 65.32 H new ATOM 0 HB2 GLU A 104 6.610 -17.361 7.963 1.00 3.52 H new ATOM 0 HB3 GLU A 104 5.943 -15.795 7.548 1.00 3.52 H new ATOM 0 HG2 GLU A 104 4.196 -17.285 7.072 1.00 63.52 H new ATOM 0 HG3 GLU A 104 4.885 -16.946 5.496 1.00 63.52 H new ATOM 1604 N LEU A 105 6.791 -14.394 5.096 1.00 62.41 N ATOM 1605 CA LEU A 105 6.233 -13.531 4.024 1.00 55.40 C ATOM 1606 C LEU A 105 7.270 -12.540 3.439 1.00 12.51 C ATOM 1607 O LEU A 105 7.044 -11.974 2.363 1.00 64.10 O ATOM 1608 CB LEU A 105 5.005 -12.768 4.587 1.00 11.41 C ATOM 1609 CG LEU A 105 3.827 -13.670 5.085 1.00 32.32 C ATOM 1610 CD1 LEU A 105 2.634 -12.826 5.575 1.00 62.04 C ATOM 1611 CD2 LEU A 105 3.394 -14.677 3.997 1.00 33.51 C ATOM 0 H LEU A 105 6.932 -13.900 5.977 1.00 62.41 H new ATOM 0 HA LEU A 105 5.936 -14.175 3.196 1.00 55.40 H new ATOM 0 HB2 LEU A 105 5.336 -12.141 5.415 1.00 11.41 H new ATOM 0 HB3 LEU A 105 4.627 -12.100 3.813 1.00 11.41 H new ATOM 0 HG LEU A 105 4.192 -14.241 5.938 1.00 32.32 H new ATOM 0 HD11 LEU A 105 1.835 -13.486 5.913 1.00 62.04 H new ATOM 0 HD12 LEU A 105 2.953 -12.190 6.401 1.00 62.04 H new ATOM 0 HD13 LEU A 105 2.269 -12.204 4.758 1.00 62.04 H new ATOM 0 HD21 LEU A 105 2.574 -15.289 4.373 1.00 33.51 H new ATOM 0 HD22 LEU A 105 3.065 -14.135 3.110 1.00 33.51 H new ATOM 0 HD23 LEU A 105 4.237 -15.318 3.739 1.00 33.51 H new ATOM 1623 N GLY A 106 8.383 -12.325 4.167 1.00 75.12 N ATOM 1624 CA GLY A 106 9.472 -11.438 3.717 1.00 20.51 C ATOM 1625 C GLY A 106 9.126 -9.938 3.740 1.00 24.10 C ATOM 1626 O GLY A 106 8.237 -9.503 4.483 1.00 12.45 O ATOM 0 H GLY A 106 8.551 -12.757 5.075 1.00 75.12 H new ATOM 0 HA2 GLY A 106 10.345 -11.606 4.348 1.00 20.51 H new ATOM 0 HA3 GLY A 106 9.755 -11.717 2.702 1.00 20.51 H new ATOM 1630 N VAL A 107 9.865 -9.145 2.932 1.00 4.41 N ATOM 1631 CA VAL A 107 9.668 -7.676 2.795 1.00 23.21 C ATOM 1632 C VAL A 107 9.403 -7.313 1.311 1.00 51.25 C ATOM 1633 O VAL A 107 10.018 -7.890 0.406 1.00 63.21 O ATOM 1634 CB VAL A 107 10.933 -6.881 3.311 1.00 2.01 C ATOM 1635 CG1 VAL A 107 10.716 -5.344 3.241 1.00 53.53 C ATOM 1636 CG2 VAL A 107 11.324 -7.319 4.746 1.00 42.15 C ATOM 0 H VAL A 107 10.622 -9.505 2.350 1.00 4.41 H new ATOM 0 HA VAL A 107 8.808 -7.394 3.403 1.00 23.21 H new ATOM 0 HB VAL A 107 11.760 -7.126 2.645 1.00 2.01 H new ATOM 0 HG11 VAL A 107 11.608 -4.834 3.604 1.00 53.53 H new ATOM 0 HG12 VAL A 107 10.525 -5.050 2.209 1.00 53.53 H new ATOM 0 HG13 VAL A 107 9.863 -5.068 3.861 1.00 53.53 H new ATOM 0 HG21 VAL A 107 12.197 -6.755 5.073 1.00 42.15 H new ATOM 0 HG22 VAL A 107 10.493 -7.127 5.424 1.00 42.15 H new ATOM 0 HG23 VAL A 107 11.557 -8.384 4.751 1.00 42.15 H new ATOM 1646 N THR A 108 8.491 -6.349 1.068 1.00 61.12 N ATOM 1647 CA THR A 108 8.147 -5.887 -0.301 1.00 61.12 C ATOM 1648 C THR A 108 8.117 -4.343 -0.398 1.00 71.41 C ATOM 1649 O THR A 108 7.452 -3.674 0.382 1.00 13.33 O ATOM 1650 CB THR A 108 6.789 -6.493 -0.795 1.00 12.11 C ATOM 1651 OG1 THR A 108 6.403 -5.906 -2.052 1.00 44.12 O ATOM 1652 CG2 THR A 108 5.647 -6.333 0.222 1.00 2.53 C ATOM 0 H THR A 108 7.974 -5.870 1.805 1.00 61.12 H new ATOM 0 HA THR A 108 8.938 -6.250 -0.958 1.00 61.12 H new ATOM 0 HB THR A 108 6.961 -7.562 -0.919 1.00 12.11 H new ATOM 0 HG1 THR A 108 7.202 -5.736 -2.593 1.00 44.12 H new ATOM 0 HG21 THR A 108 4.736 -6.774 -0.182 1.00 2.53 H new ATOM 0 HG22 THR A 108 5.913 -6.838 1.151 1.00 2.53 H new ATOM 0 HG23 THR A 108 5.481 -5.274 0.419 1.00 2.53 H new ATOM 1660 N HIS A 109 8.845 -3.797 -1.383 1.00 22.25 N ATOM 1661 CA HIS A 109 8.988 -2.345 -1.600 1.00 62.31 C ATOM 1662 C HIS A 109 7.918 -1.833 -2.595 1.00 11.12 C ATOM 1663 O HIS A 109 8.005 -2.111 -3.788 1.00 74.33 O ATOM 1664 CB HIS A 109 10.416 -2.071 -2.146 1.00 61.50 C ATOM 1665 CG HIS A 109 10.871 -0.629 -2.112 1.00 15.24 C ATOM 1666 ND1 HIS A 109 11.935 -0.219 -1.350 1.00 41.31 N ATOM 1667 CD2 HIS A 109 10.477 0.471 -2.813 1.00 13.23 C ATOM 1668 CE1 HIS A 109 12.177 1.047 -1.578 1.00 12.52 C ATOM 1669 NE2 HIS A 109 11.314 1.497 -2.462 1.00 3.40 N ATOM 0 H HIS A 109 9.359 -4.357 -2.062 1.00 22.25 H new ATOM 0 HA HIS A 109 8.842 -1.815 -0.659 1.00 62.31 H new ATOM 0 HB2 HIS A 109 11.124 -2.669 -1.572 1.00 61.50 H new ATOM 0 HB3 HIS A 109 10.464 -2.423 -3.177 1.00 61.50 H new ATOM 0 HD1 HIS A 109 12.458 -0.810 -0.704 1.00 41.31 H new ATOM 0 HD2 HIS A 109 9.658 0.524 -3.515 1.00 13.23 H new ATOM 0 HE1 HIS A 109 12.960 1.629 -1.114 1.00 12.52 H new ATOM 1678 N ALA A 110 6.926 -1.069 -2.114 1.00 54.20 N ATOM 1679 CA ALA A 110 5.856 -0.524 -2.982 1.00 3.10 C ATOM 1680 C ALA A 110 6.162 0.923 -3.424 1.00 12.04 C ATOM 1681 O ALA A 110 6.577 1.763 -2.616 1.00 71.44 O ATOM 1682 CB ALA A 110 4.494 -0.606 -2.298 1.00 53.44 C ATOM 0 H ALA A 110 6.837 -0.811 -1.131 1.00 54.20 H new ATOM 0 HA ALA A 110 5.822 -1.143 -3.879 1.00 3.10 H new ATOM 0 HB1 ALA A 110 3.729 -0.199 -2.960 1.00 53.44 H new ATOM 0 HB2 ALA A 110 4.262 -1.647 -2.073 1.00 53.44 H new ATOM 0 HB3 ALA A 110 4.517 -0.031 -1.372 1.00 53.44 H new ATOM 1688 N THR A 111 5.939 1.197 -4.721 1.00 72.54 N ATOM 1689 CA THR A 111 6.163 2.523 -5.333 1.00 61.42 C ATOM 1690 C THR A 111 4.805 3.133 -5.749 1.00 40.13 C ATOM 1691 O THR A 111 4.171 2.660 -6.689 1.00 60.22 O ATOM 1692 CB THR A 111 7.104 2.412 -6.586 1.00 70.10 C ATOM 1693 OG1 THR A 111 8.340 1.776 -6.211 1.00 43.34 O ATOM 1694 CG2 THR A 111 7.415 3.787 -7.211 1.00 13.32 C ATOM 0 H THR A 111 5.595 0.500 -5.382 1.00 72.54 H new ATOM 0 HA THR A 111 6.648 3.168 -4.600 1.00 61.42 H new ATOM 0 HB THR A 111 6.577 1.817 -7.332 1.00 70.10 H new ATOM 0 HG1 THR A 111 8.924 1.707 -6.995 1.00 43.34 H new ATOM 0 HG21 THR A 111 8.069 3.655 -8.073 1.00 13.32 H new ATOM 0 HG22 THR A 111 6.486 4.261 -7.529 1.00 13.32 H new ATOM 0 HG23 THR A 111 7.910 4.418 -6.473 1.00 13.32 H new ATOM 1702 N VAL A 112 4.369 4.173 -5.026 1.00 25.14 N ATOM 1703 CA VAL A 112 3.097 4.889 -5.284 1.00 21.31 C ATOM 1704 C VAL A 112 3.346 6.111 -6.189 1.00 54.14 C ATOM 1705 O VAL A 112 4.123 7.000 -5.842 1.00 34.14 O ATOM 1706 CB VAL A 112 2.440 5.356 -3.936 1.00 1.35 C ATOM 1707 CG1 VAL A 112 1.125 6.148 -4.175 1.00 13.12 C ATOM 1708 CG2 VAL A 112 2.208 4.148 -3.003 1.00 4.13 C ATOM 0 H VAL A 112 4.890 4.551 -4.235 1.00 25.14 H new ATOM 0 HA VAL A 112 2.417 4.202 -5.787 1.00 21.31 H new ATOM 0 HB VAL A 112 3.134 6.040 -3.447 1.00 1.35 H new ATOM 0 HG11 VAL A 112 0.704 6.452 -3.217 1.00 13.12 H new ATOM 0 HG12 VAL A 112 1.337 7.033 -4.775 1.00 13.12 H new ATOM 0 HG13 VAL A 112 0.410 5.516 -4.701 1.00 13.12 H new ATOM 0 HG21 VAL A 112 1.752 4.489 -2.073 1.00 4.13 H new ATOM 0 HG22 VAL A 112 1.546 3.433 -3.491 1.00 4.13 H new ATOM 0 HG23 VAL A 112 3.162 3.668 -2.785 1.00 4.13 H new ATOM 1718 N LYS A 113 2.696 6.137 -7.363 1.00 41.53 N ATOM 1719 CA LYS A 113 2.859 7.221 -8.357 1.00 15.55 C ATOM 1720 C LYS A 113 1.492 7.833 -8.736 1.00 24.41 C ATOM 1721 O LYS A 113 0.609 7.135 -9.246 1.00 33.23 O ATOM 1722 CB LYS A 113 3.584 6.657 -9.607 1.00 32.01 C ATOM 1723 CG LYS A 113 4.955 6.004 -9.295 1.00 54.24 C ATOM 1724 CD LYS A 113 5.686 5.489 -10.548 1.00 4.11 C ATOM 1725 CE LYS A 113 4.869 4.459 -11.341 1.00 63.20 C ATOM 1726 NZ LYS A 113 5.591 4.004 -12.549 1.00 32.52 N ATOM 0 H LYS A 113 2.042 5.410 -7.654 1.00 41.53 H new ATOM 0 HA LYS A 113 3.461 8.020 -7.924 1.00 15.55 H new ATOM 0 HB2 LYS A 113 2.941 5.918 -10.086 1.00 32.01 H new ATOM 0 HB3 LYS A 113 3.732 7.464 -10.325 1.00 32.01 H new ATOM 0 HG2 LYS A 113 5.588 6.731 -8.787 1.00 54.24 H new ATOM 0 HG3 LYS A 113 4.805 5.174 -8.604 1.00 54.24 H new ATOM 0 HD2 LYS A 113 5.923 6.333 -11.196 1.00 4.11 H new ATOM 0 HD3 LYS A 113 6.634 5.041 -10.250 1.00 4.11 H new ATOM 0 HE2 LYS A 113 4.647 3.602 -10.705 1.00 63.20 H new ATOM 0 HE3 LYS A 113 3.914 4.897 -11.631 1.00 63.20 H new ATOM 0 HZ1 LYS A 113 5.010 3.309 -13.060 1.00 32.52 H new ATOM 0 HZ2 LYS A 113 5.781 4.818 -13.167 1.00 32.52 H new ATOM 0 HZ3 LYS A 113 6.491 3.564 -12.270 1.00 32.52 H new ATOM 1740 N LEU A 114 1.329 9.137 -8.452 1.00 22.41 N ATOM 1741 CA LEU A 114 0.098 9.902 -8.756 1.00 21.32 C ATOM 1742 C LEU A 114 0.252 10.723 -10.059 1.00 25.43 C ATOM 1743 O LEU A 114 1.247 11.425 -10.245 1.00 41.20 O ATOM 1744 CB LEU A 114 -0.232 10.834 -7.566 1.00 21.51 C ATOM 1745 CG LEU A 114 -0.565 10.115 -6.221 1.00 43.34 C ATOM 1746 CD1 LEU A 114 -0.741 11.115 -5.073 1.00 21.12 C ATOM 1747 CD2 LEU A 114 -1.818 9.240 -6.370 1.00 11.33 C ATOM 0 H LEU A 114 2.052 9.698 -8.001 1.00 22.41 H new ATOM 0 HA LEU A 114 -0.721 9.199 -8.907 1.00 21.32 H new ATOM 0 HB2 LEU A 114 0.616 11.499 -7.402 1.00 21.51 H new ATOM 0 HB3 LEU A 114 -1.080 11.461 -7.842 1.00 21.51 H new ATOM 0 HG LEU A 114 0.281 9.474 -5.974 1.00 43.34 H new ATOM 0 HD11 LEU A 114 -0.972 10.577 -4.154 1.00 21.12 H new ATOM 0 HD12 LEU A 114 0.180 11.682 -4.940 1.00 21.12 H new ATOM 0 HD13 LEU A 114 -1.557 11.799 -5.308 1.00 21.12 H new ATOM 0 HD21 LEU A 114 -2.033 8.748 -5.422 1.00 11.33 H new ATOM 0 HD22 LEU A 114 -2.665 9.863 -6.655 1.00 11.33 H new ATOM 0 HD23 LEU A 114 -1.646 8.487 -7.139 1.00 11.33 H new ATOM 1759 N GLU A 115 -0.758 10.638 -10.944 1.00 52.30 N ATOM 1760 CA GLU A 115 -0.761 11.312 -12.262 1.00 25.11 C ATOM 1761 C GLU A 115 -1.865 12.401 -12.326 1.00 12.34 C ATOM 1762 O GLU A 115 -3.052 12.066 -12.237 1.00 62.11 O ATOM 1763 CB GLU A 115 -0.987 10.267 -13.383 1.00 2.24 C ATOM 1764 CG GLU A 115 -0.971 10.852 -14.811 1.00 10.31 C ATOM 1765 CD GLU A 115 -1.108 9.777 -15.903 1.00 23.25 C ATOM 1766 OE1 GLU A 115 -0.081 9.206 -16.313 1.00 74.00 O ATOM 1767 OE2 GLU A 115 -2.239 9.502 -16.359 1.00 14.13 O ATOM 0 H GLU A 115 -1.603 10.096 -10.766 1.00 52.30 H new ATOM 0 HA GLU A 115 0.205 11.796 -12.404 1.00 25.11 H new ATOM 0 HB2 GLU A 115 -0.216 9.500 -13.309 1.00 2.24 H new ATOM 0 HB3 GLU A 115 -1.945 9.774 -13.216 1.00 2.24 H new ATOM 0 HG2 GLU A 115 -1.784 11.571 -14.912 1.00 10.31 H new ATOM 0 HG3 GLU A 115 -0.041 11.400 -14.963 1.00 10.31 H new ATOM 1774 N PRO A 116 -1.495 13.719 -12.477 1.00 33.23 N ATOM 1775 CA PRO A 116 -2.478 14.833 -12.575 1.00 72.44 C ATOM 1776 C PRO A 116 -3.365 14.757 -13.851 1.00 74.03 C ATOM 1777 O PRO A 116 -2.919 15.060 -14.960 1.00 72.04 O ATOM 1778 CB PRO A 116 -1.577 16.106 -12.567 1.00 20.20 C ATOM 1779 CG PRO A 116 -0.246 15.632 -13.070 1.00 51.23 C ATOM 1780 CD PRO A 116 -0.093 14.223 -12.539 1.00 35.43 C ATOM 0 HA PRO A 116 -3.203 14.812 -11.761 1.00 72.44 H new ATOM 0 HB2 PRO A 116 -1.988 16.886 -13.208 1.00 20.20 H new ATOM 0 HB3 PRO A 116 -1.495 16.527 -11.565 1.00 20.20 H new ATOM 0 HG2 PRO A 116 -0.210 15.647 -14.159 1.00 51.23 H new ATOM 0 HG3 PRO A 116 0.560 16.275 -12.715 1.00 51.23 H new ATOM 0 HD2 PRO A 116 0.524 13.611 -13.197 1.00 35.43 H new ATOM 0 HD3 PRO A 116 0.381 14.213 -11.557 1.00 35.43 H new ATOM 1788 N LEU A 117 -4.622 14.320 -13.672 1.00 61.33 N ATOM 1789 CA LEU A 117 -5.642 14.293 -14.756 1.00 3.22 C ATOM 1790 C LEU A 117 -6.492 15.592 -14.728 1.00 71.14 C ATOM 1791 O LEU A 117 -7.730 15.541 -14.804 1.00 64.24 O ATOM 1792 CB LEU A 117 -6.554 13.043 -14.593 1.00 63.42 C ATOM 1793 CG LEU A 117 -5.838 11.664 -14.478 1.00 41.03 C ATOM 1794 CD1 LEU A 117 -6.858 10.539 -14.215 1.00 21.54 C ATOM 1795 CD2 LEU A 117 -4.983 11.367 -15.725 1.00 71.42 C ATOM 0 H LEU A 117 -4.968 13.974 -12.777 1.00 61.33 H new ATOM 0 HA LEU A 117 -5.135 14.235 -15.719 1.00 3.22 H new ATOM 0 HB2 LEU A 117 -7.167 13.183 -13.703 1.00 63.42 H new ATOM 0 HB3 LEU A 117 -7.233 13.004 -15.445 1.00 63.42 H new ATOM 0 HG LEU A 117 -5.160 11.709 -13.626 1.00 41.03 H new ATOM 0 HD11 LEU A 117 -6.336 9.585 -14.138 1.00 21.54 H new ATOM 0 HD12 LEU A 117 -7.388 10.739 -13.284 1.00 21.54 H new ATOM 0 HD13 LEU A 117 -7.573 10.496 -15.037 1.00 21.54 H new ATOM 0 HD21 LEU A 117 -4.498 10.398 -15.611 1.00 71.42 H new ATOM 0 HD22 LEU A 117 -5.621 11.352 -16.609 1.00 71.42 H new ATOM 0 HD23 LEU A 117 -4.224 12.141 -15.839 1.00 71.42 H new ATOM 1807 N GLU A 118 -5.799 16.751 -14.643 1.00 11.21 N ATOM 1808 CA GLU A 118 -6.415 18.101 -14.500 1.00 45.44 C ATOM 1809 C GLU A 118 -7.220 18.230 -13.180 1.00 42.12 C ATOM 1810 O GLU A 118 -6.710 18.732 -12.173 1.00 60.02 O ATOM 1811 CB GLU A 118 -7.291 18.487 -15.747 1.00 41.20 C ATOM 1812 CG GLU A 118 -6.509 18.814 -17.037 1.00 44.13 C ATOM 1813 CD GLU A 118 -5.698 17.631 -17.613 1.00 43.32 C ATOM 1814 OE1 GLU A 118 -6.257 16.830 -18.392 1.00 32.03 O ATOM 1815 OE2 GLU A 118 -4.505 17.486 -17.277 1.00 64.11 O ATOM 0 H GLU A 118 -4.780 16.781 -14.672 1.00 11.21 H new ATOM 0 HA GLU A 118 -5.594 18.816 -14.452 1.00 45.44 H new ATOM 0 HB2 GLU A 118 -7.975 17.664 -15.957 1.00 41.20 H new ATOM 0 HB3 GLU A 118 -7.902 19.351 -15.486 1.00 41.20 H new ATOM 0 HG2 GLU A 118 -7.212 19.159 -17.795 1.00 44.13 H new ATOM 0 HG3 GLU A 118 -5.828 19.640 -16.834 1.00 44.13 H new ATOM 1822 N ASN A 119 -8.466 17.743 -13.200 1.00 61.33 N ATOM 1823 CA ASN A 119 -9.400 17.809 -12.055 1.00 64.33 C ATOM 1824 C ASN A 119 -9.454 16.461 -11.288 1.00 51.11 C ATOM 1825 O ASN A 119 -9.946 16.397 -10.160 1.00 4.52 O ATOM 1826 CB ASN A 119 -10.791 18.229 -12.583 1.00 44.12 C ATOM 1827 CG ASN A 119 -11.358 17.253 -13.617 1.00 33.43 C ATOM 1828 OD1 ASN A 119 -12.042 16.302 -13.276 1.00 74.04 O ATOM 1829 ND2 ASN A 119 -11.068 17.475 -14.888 1.00 31.22 N ATOM 0 H ASN A 119 -8.865 17.285 -14.019 1.00 61.33 H new ATOM 0 HA ASN A 119 -9.050 18.550 -11.337 1.00 64.33 H new ATOM 0 HB2 ASN A 119 -11.484 18.305 -11.745 1.00 44.12 H new ATOM 0 HB3 ASN A 119 -10.720 19.221 -13.029 1.00 44.12 H new ATOM 0 HD21 ASN A 119 -11.418 16.844 -15.609 1.00 31.22 H new ATOM 0 HD22 ASN A 119 -10.494 18.277 -15.148 1.00 31.22 H new ATOM 1836 N ARG A 120 -8.953 15.381 -11.927 1.00 14.23 N ATOM 1837 CA ARG A 120 -8.822 14.046 -11.291 1.00 21.45 C ATOM 1838 C ARG A 120 -7.335 13.651 -11.133 1.00 41.42 C ATOM 1839 O ARG A 120 -6.438 14.441 -11.444 1.00 51.30 O ATOM 1840 CB ARG A 120 -9.570 12.967 -12.115 1.00 42.43 C ATOM 1841 CG ARG A 120 -11.069 13.250 -12.335 1.00 12.31 C ATOM 1842 CD ARG A 120 -11.814 12.038 -12.912 1.00 45.31 C ATOM 1843 NE ARG A 120 -11.203 11.548 -14.159 1.00 63.43 N ATOM 1844 CZ ARG A 120 -11.039 10.286 -14.480 1.00 21.43 C ATOM 1845 NH1 ARG A 120 -11.445 9.326 -13.697 1.00 53.15 N ATOM 1846 NH2 ARG A 120 -10.462 9.983 -15.591 1.00 4.31 N ATOM 0 H ARG A 120 -8.629 15.407 -12.894 1.00 14.23 H new ATOM 0 HA ARG A 120 -9.273 14.106 -10.301 1.00 21.45 H new ATOM 0 HB2 ARG A 120 -9.086 12.871 -13.087 1.00 42.43 H new ATOM 0 HB3 ARG A 120 -9.466 12.007 -11.610 1.00 42.43 H new ATOM 0 HG2 ARG A 120 -11.525 13.536 -11.387 1.00 12.31 H new ATOM 0 HG3 ARG A 120 -11.181 14.098 -13.011 1.00 12.31 H new ATOM 0 HD2 ARG A 120 -11.823 11.235 -12.175 1.00 45.31 H new ATOM 0 HD3 ARG A 120 -12.853 12.309 -13.101 1.00 45.31 H new ATOM 0 HE ARG A 120 -10.881 12.247 -14.828 1.00 63.43 H new ATOM 0 HH11 ARG A 120 -11.902 9.548 -12.812 1.00 53.15 H new ATOM 0 HH12 ARG A 120 -11.306 8.353 -13.969 1.00 53.15 H new ATOM 0 HH21 ARG A 120 -10.136 10.722 -16.214 1.00 4.31 H new ATOM 0 HH22 ARG A 120 -10.331 9.004 -15.847 1.00 4.31 H new ATOM 1860 N THR A 121 -7.088 12.431 -10.604 1.00 55.33 N ATOM 1861 CA THR A 121 -5.723 11.862 -10.451 1.00 2.20 C ATOM 1862 C THR A 121 -5.759 10.318 -10.480 1.00 64.33 C ATOM 1863 O THR A 121 -6.640 9.696 -9.885 1.00 24.21 O ATOM 1864 CB THR A 121 -5.032 12.350 -9.128 1.00 15.42 C ATOM 1865 OG1 THR A 121 -4.883 13.775 -9.158 1.00 41.40 O ATOM 1866 CG2 THR A 121 -3.647 11.716 -8.896 1.00 63.44 C ATOM 0 H THR A 121 -7.826 11.811 -10.271 1.00 55.33 H new ATOM 0 HA THR A 121 -5.135 12.221 -11.296 1.00 2.20 H new ATOM 0 HB THR A 121 -5.679 12.037 -8.308 1.00 15.42 H new ATOM 0 HG1 THR A 121 -5.722 14.198 -8.879 1.00 41.40 H new ATOM 0 HG21 THR A 121 -3.224 12.095 -7.966 1.00 63.44 H new ATOM 0 HG22 THR A 121 -3.749 10.633 -8.833 1.00 63.44 H new ATOM 0 HG23 THR A 121 -2.987 11.971 -9.725 1.00 63.44 H new ATOM 1874 N ARG A 122 -4.770 9.709 -11.166 1.00 55.03 N ATOM 1875 CA ARG A 122 -4.624 8.245 -11.270 1.00 71.11 C ATOM 1876 C ARG A 122 -3.412 7.765 -10.434 1.00 4.03 C ATOM 1877 O ARG A 122 -2.312 8.285 -10.586 1.00 2.13 O ATOM 1878 CB ARG A 122 -4.428 7.855 -12.752 1.00 60.13 C ATOM 1879 CG ARG A 122 -4.359 6.336 -13.002 1.00 44.20 C ATOM 1880 CD ARG A 122 -4.040 5.996 -14.459 1.00 60.22 C ATOM 1881 NE ARG A 122 -5.002 6.599 -15.395 1.00 51.24 N ATOM 1882 CZ ARG A 122 -4.749 6.935 -16.639 1.00 44.31 C ATOM 1883 NH1 ARG A 122 -3.569 6.769 -17.155 1.00 4.31 N ATOM 1884 NH2 ARG A 122 -5.683 7.460 -17.357 1.00 2.22 N ATOM 0 H ARG A 122 -4.046 10.224 -11.666 1.00 55.03 H new ATOM 0 HA ARG A 122 -5.524 7.767 -10.883 1.00 71.11 H new ATOM 0 HB2 ARG A 122 -5.248 8.271 -13.337 1.00 60.13 H new ATOM 0 HB3 ARG A 122 -3.510 8.314 -13.118 1.00 60.13 H new ATOM 0 HG2 ARG A 122 -3.598 5.899 -12.355 1.00 44.20 H new ATOM 0 HG3 ARG A 122 -5.311 5.882 -12.726 1.00 44.20 H new ATOM 0 HD2 ARG A 122 -3.035 6.344 -14.700 1.00 60.22 H new ATOM 0 HD3 ARG A 122 -4.042 4.913 -14.586 1.00 60.22 H new ATOM 0 HE ARG A 122 -5.946 6.771 -15.048 1.00 51.24 H new ATOM 0 HH11 ARG A 122 -2.818 6.371 -16.592 1.00 4.31 H new ATOM 0 HH12 ARG A 122 -3.394 7.037 -18.123 1.00 4.31 H new ATOM 0 HH21 ARG A 122 -6.609 7.611 -16.958 1.00 2.22 H new ATOM 0 HH22 ARG A 122 -5.495 7.724 -18.324 1.00 2.22 H new ATOM 1898 N MET A 123 -3.615 6.750 -9.583 1.00 21.41 N ATOM 1899 CA MET A 123 -2.545 6.163 -8.748 1.00 30.43 C ATOM 1900 C MET A 123 -2.105 4.786 -9.292 1.00 70.42 C ATOM 1901 O MET A 123 -2.927 4.014 -9.774 1.00 34.42 O ATOM 1902 CB MET A 123 -3.031 6.021 -7.290 1.00 15.41 C ATOM 1903 CG MET A 123 -1.946 5.549 -6.304 1.00 53.13 C ATOM 1904 SD MET A 123 -2.449 5.716 -4.584 1.00 3.12 S ATOM 1905 CE MET A 123 -3.950 4.751 -4.576 1.00 31.41 C ATOM 0 H MET A 123 -4.525 6.309 -9.450 1.00 21.41 H new ATOM 0 HA MET A 123 -1.685 6.832 -8.780 1.00 30.43 H new ATOM 0 HB2 MET A 123 -3.418 6.983 -6.953 1.00 15.41 H new ATOM 0 HB3 MET A 123 -3.862 5.316 -7.263 1.00 15.41 H new ATOM 0 HG2 MET A 123 -1.705 4.506 -6.508 1.00 53.13 H new ATOM 0 HG3 MET A 123 -1.035 6.125 -6.469 1.00 53.13 H new ATOM 0 HE1 MET A 123 -3.979 4.131 -3.680 1.00 31.41 H new ATOM 0 HE2 MET A 123 -4.812 5.418 -4.583 1.00 31.41 H new ATOM 0 HE3 MET A 123 -3.977 4.113 -5.460 1.00 31.41 H new ATOM 1915 N THR A 124 -0.797 4.498 -9.211 1.00 31.12 N ATOM 1916 CA THR A 124 -0.229 3.177 -9.562 1.00 73.12 C ATOM 1917 C THR A 124 0.772 2.734 -8.466 1.00 40.14 C ATOM 1918 O THR A 124 1.801 3.386 -8.266 1.00 21.33 O ATOM 1919 CB THR A 124 0.475 3.227 -10.963 1.00 35.13 C ATOM 1920 OG1 THR A 124 -0.449 3.712 -11.958 1.00 1.44 O ATOM 1921 CG2 THR A 124 1.000 1.847 -11.405 1.00 31.41 C ATOM 0 H THR A 124 -0.098 5.172 -8.900 1.00 31.12 H new ATOM 0 HA THR A 124 -1.039 2.450 -9.621 1.00 73.12 H new ATOM 0 HB THR A 124 1.327 3.900 -10.868 1.00 35.13 H new ATOM 0 HG1 THR A 124 -0.004 3.743 -12.831 1.00 1.44 H new ATOM 0 HG21 THR A 124 1.479 1.935 -12.380 1.00 31.41 H new ATOM 0 HG22 THR A 124 1.725 1.483 -10.677 1.00 31.41 H new ATOM 0 HG23 THR A 124 0.168 1.145 -11.471 1.00 31.41 H new ATOM 1929 N ILE A 125 0.445 1.642 -7.736 1.00 53.22 N ATOM 1930 CA ILE A 125 1.276 1.125 -6.615 1.00 44.31 C ATOM 1931 C ILE A 125 1.967 -0.205 -7.023 1.00 41.53 C ATOM 1932 O ILE A 125 1.290 -1.217 -7.219 1.00 45.41 O ATOM 1933 CB ILE A 125 0.403 0.880 -5.324 1.00 63.55 C ATOM 1934 CG1 ILE A 125 -0.496 2.120 -5.000 1.00 41.11 C ATOM 1935 CG2 ILE A 125 1.307 0.522 -4.111 1.00 33.55 C ATOM 1936 CD1 ILE A 125 -1.455 1.924 -3.832 1.00 23.13 C ATOM 0 H ILE A 125 -0.399 1.094 -7.904 1.00 53.22 H new ATOM 0 HA ILE A 125 2.032 1.878 -6.391 1.00 44.31 H new ATOM 0 HB ILE A 125 -0.257 0.036 -5.523 1.00 63.55 H new ATOM 0 HG12 ILE A 125 0.148 2.972 -4.784 1.00 41.11 H new ATOM 0 HG13 ILE A 125 -1.074 2.374 -5.888 1.00 41.11 H new ATOM 0 HG21 ILE A 125 0.686 0.357 -3.231 1.00 33.55 H new ATOM 0 HG22 ILE A 125 1.871 -0.384 -4.332 1.00 33.55 H new ATOM 0 HG23 ILE A 125 1.999 1.342 -3.918 1.00 33.55 H new ATOM 0 HD11 ILE A 125 -2.036 2.834 -3.682 1.00 23.13 H new ATOM 0 HD12 ILE A 125 -2.129 1.095 -4.050 1.00 23.13 H new ATOM 0 HD13 ILE A 125 -0.887 1.702 -2.928 1.00 23.13 H new ATOM 1948 N ILE A 126 3.313 -0.197 -7.143 1.00 11.03 N ATOM 1949 CA ILE A 126 4.094 -1.372 -7.609 1.00 34.11 C ATOM 1950 C ILE A 126 4.911 -1.994 -6.445 1.00 21.31 C ATOM 1951 O ILE A 126 5.946 -1.453 -6.049 1.00 44.25 O ATOM 1952 CB ILE A 126 5.094 -1.017 -8.794 1.00 40.41 C ATOM 1953 CG1 ILE A 126 4.408 -0.197 -9.946 1.00 63.22 C ATOM 1954 CG2 ILE A 126 5.735 -2.307 -9.359 1.00 13.44 C ATOM 1955 CD1 ILE A 126 4.232 1.283 -9.674 1.00 2.50 C ATOM 0 H ILE A 126 3.888 0.616 -6.922 1.00 11.03 H new ATOM 0 HA ILE A 126 3.360 -2.087 -7.980 1.00 34.11 H new ATOM 0 HB ILE A 126 5.871 -0.379 -8.373 1.00 40.41 H new ATOM 0 HG12 ILE A 126 4.999 -0.314 -10.854 1.00 63.22 H new ATOM 0 HG13 ILE A 126 3.428 -0.632 -10.145 1.00 63.22 H new ATOM 0 HG21 ILE A 126 6.417 -2.050 -10.169 1.00 13.44 H new ATOM 0 HG22 ILE A 126 6.286 -2.816 -8.568 1.00 13.44 H new ATOM 0 HG23 ILE A 126 4.954 -2.966 -9.738 1.00 13.44 H new ATOM 0 HD11 ILE A 126 3.750 1.755 -10.530 1.00 2.50 H new ATOM 0 HD12 ILE A 126 3.612 1.419 -8.788 1.00 2.50 H new ATOM 0 HD13 ILE A 126 5.207 1.741 -9.508 1.00 2.50 H new ATOM 1967 N SER A 127 4.443 -3.134 -5.920 1.00 23.12 N ATOM 1968 CA SER A 127 5.102 -3.867 -4.812 1.00 50.51 C ATOM 1969 C SER A 127 6.130 -4.884 -5.363 1.00 65.01 C ATOM 1970 O SER A 127 5.762 -5.838 -6.041 1.00 73.43 O ATOM 1971 CB SER A 127 4.037 -4.587 -3.946 1.00 60.41 C ATOM 1972 OG SER A 127 3.138 -3.653 -3.363 1.00 44.45 O ATOM 0 H SER A 127 3.589 -3.584 -6.250 1.00 23.12 H new ATOM 0 HA SER A 127 5.636 -3.149 -4.189 1.00 50.51 H new ATOM 0 HB2 SER A 127 3.482 -5.296 -4.561 1.00 60.41 H new ATOM 0 HB3 SER A 127 4.529 -5.162 -3.161 1.00 60.41 H new ATOM 0 HG SER A 127 2.475 -4.131 -2.823 1.00 44.45 H new ATOM 1978 N THR A 128 7.421 -4.643 -5.085 1.00 30.32 N ATOM 1979 CA THR A 128 8.543 -5.495 -5.534 1.00 2.43 C ATOM 1980 C THR A 128 9.048 -6.397 -4.386 1.00 22.35 C ATOM 1981 O THR A 128 9.362 -5.919 -3.301 1.00 70.10 O ATOM 1982 CB THR A 128 9.723 -4.622 -6.075 1.00 53.22 C ATOM 1983 OG1 THR A 128 10.175 -3.718 -5.056 1.00 11.24 O ATOM 1984 CG2 THR A 128 9.312 -3.814 -7.318 1.00 30.45 C ATOM 0 H THR A 128 7.723 -3.840 -4.534 1.00 30.32 H new ATOM 0 HA THR A 128 8.172 -6.128 -6.340 1.00 2.43 H new ATOM 0 HB THR A 128 10.527 -5.302 -6.357 1.00 53.22 H new ATOM 0 HG1 THR A 128 9.438 -3.128 -4.792 1.00 11.24 H new ATOM 0 HG21 THR A 128 10.159 -3.221 -7.663 1.00 30.45 H new ATOM 0 HG22 THR A 128 9.001 -4.496 -8.109 1.00 30.45 H new ATOM 0 HG23 THR A 128 8.485 -3.151 -7.064 1.00 30.45 H new ATOM 1992 N PHE A 129 9.151 -7.700 -4.653 1.00 30.13 N ATOM 1993 CA PHE A 129 9.475 -8.735 -3.647 1.00 42.02 C ATOM 1994 C PHE A 129 10.948 -9.185 -3.783 1.00 24.35 C ATOM 1995 O PHE A 129 11.568 -8.972 -4.827 1.00 32.32 O ATOM 1996 CB PHE A 129 8.509 -9.933 -3.841 1.00 61.12 C ATOM 1997 CG PHE A 129 7.031 -9.523 -3.889 1.00 45.11 C ATOM 1998 CD1 PHE A 129 6.273 -9.422 -2.726 1.00 60.34 C ATOM 1999 CD2 PHE A 129 6.406 -9.224 -5.103 1.00 72.32 C ATOM 2000 CE1 PHE A 129 4.944 -9.040 -2.778 1.00 34.35 C ATOM 2001 CE2 PHE A 129 5.080 -8.848 -5.152 1.00 21.11 C ATOM 2002 CZ PHE A 129 4.348 -8.754 -3.989 1.00 65.13 C ATOM 0 H PHE A 129 9.011 -8.081 -5.589 1.00 30.13 H new ATOM 0 HA PHE A 129 9.351 -8.327 -2.644 1.00 42.02 H new ATOM 0 HB2 PHE A 129 8.765 -10.450 -4.766 1.00 61.12 H new ATOM 0 HB3 PHE A 129 8.655 -10.643 -3.027 1.00 61.12 H new ATOM 0 HD1 PHE A 129 6.727 -9.644 -1.772 1.00 60.34 H new ATOM 0 HD2 PHE A 129 6.972 -9.289 -6.020 1.00 72.32 H new ATOM 0 HE1 PHE A 129 4.370 -8.965 -1.866 1.00 34.35 H new ATOM 0 HE2 PHE A 129 4.616 -8.627 -6.102 1.00 21.11 H new ATOM 0 HZ PHE A 129 3.310 -8.457 -4.025 1.00 65.13 H new ATOM 2012 N GLU A 130 11.499 -9.816 -2.729 1.00 41.43 N ATOM 2013 CA GLU A 130 12.926 -10.240 -2.701 1.00 44.40 C ATOM 2014 C GLU A 130 13.189 -11.479 -3.596 1.00 31.43 C ATOM 2015 O GLU A 130 14.259 -11.597 -4.210 1.00 62.53 O ATOM 2016 CB GLU A 130 13.358 -10.535 -1.240 1.00 44.41 C ATOM 2017 CG GLU A 130 13.151 -9.351 -0.271 1.00 1.12 C ATOM 2018 CD GLU A 130 13.569 -9.668 1.175 1.00 73.34 C ATOM 2019 OE1 GLU A 130 14.787 -9.630 1.467 1.00 72.31 O ATOM 2020 OE2 GLU A 130 12.692 -9.954 2.023 1.00 14.44 O ATOM 0 H GLU A 130 10.983 -10.047 -1.880 1.00 41.43 H new ATOM 0 HA GLU A 130 13.521 -9.420 -3.103 1.00 44.40 H new ATOM 0 HB2 GLU A 130 12.796 -11.394 -0.873 1.00 44.41 H new ATOM 0 HB3 GLU A 130 14.411 -10.816 -1.233 1.00 44.41 H new ATOM 0 HG2 GLU A 130 13.723 -8.494 -0.628 1.00 1.12 H new ATOM 0 HG3 GLU A 130 12.101 -9.060 -0.283 1.00 1.12 H new ATOM 2027 N SER A 131 12.200 -12.395 -3.670 1.00 64.14 N ATOM 2028 CA SER A 131 12.316 -13.653 -4.455 1.00 12.45 C ATOM 2029 C SER A 131 10.959 -14.076 -5.062 1.00 43.20 C ATOM 2030 O SER A 131 9.896 -13.559 -4.680 1.00 31.43 O ATOM 2031 CB SER A 131 12.874 -14.796 -3.565 1.00 21.50 C ATOM 2032 OG SER A 131 11.974 -15.132 -2.517 1.00 63.33 O ATOM 0 H SER A 131 11.304 -12.290 -3.194 1.00 64.14 H new ATOM 0 HA SER A 131 13.007 -13.463 -5.276 1.00 12.45 H new ATOM 0 HB2 SER A 131 13.063 -15.677 -4.179 1.00 21.50 H new ATOM 0 HB3 SER A 131 13.831 -14.493 -3.140 1.00 21.50 H new ATOM 0 HG SER A 131 12.356 -15.856 -1.977 1.00 63.33 H new ATOM 2038 N GLU A 132 11.023 -15.013 -6.033 1.00 33.40 N ATOM 2039 CA GLU A 132 9.832 -15.618 -6.674 1.00 60.33 C ATOM 2040 C GLU A 132 8.995 -16.395 -5.654 1.00 5.20 C ATOM 2041 O GLU A 132 7.830 -16.084 -5.464 1.00 10.12 O ATOM 2042 CB GLU A 132 10.256 -16.548 -7.847 1.00 22.13 C ATOM 2043 CG GLU A 132 10.755 -15.804 -9.102 1.00 1.44 C ATOM 2044 CD GLU A 132 11.692 -16.643 -9.983 1.00 52.33 C ATOM 2045 OE1 GLU A 132 11.212 -17.532 -10.712 1.00 14.15 O ATOM 2046 OE2 GLU A 132 12.923 -16.431 -9.931 1.00 11.35 O ATOM 0 H GLU A 132 11.905 -15.373 -6.397 1.00 33.40 H new ATOM 0 HA GLU A 132 9.218 -14.811 -7.073 1.00 60.33 H new ATOM 0 HB2 GLU A 132 11.044 -17.216 -7.498 1.00 22.13 H new ATOM 0 HB3 GLU A 132 9.407 -17.173 -8.124 1.00 22.13 H new ATOM 0 HG2 GLU A 132 9.895 -15.492 -9.695 1.00 1.44 H new ATOM 0 HG3 GLU A 132 11.275 -14.897 -8.794 1.00 1.44 H new ATOM 2053 N GLU A 133 9.614 -17.376 -4.976 1.00 11.41 N ATOM 2054 CA GLU A 133 8.929 -18.219 -3.959 1.00 3.42 C ATOM 2055 C GLU A 133 8.241 -17.371 -2.849 1.00 31.34 C ATOM 2056 O GLU A 133 7.242 -17.804 -2.262 1.00 11.40 O ATOM 2057 CB GLU A 133 9.936 -19.223 -3.340 1.00 72.52 C ATOM 2058 CG GLU A 133 11.158 -18.571 -2.656 1.00 32.43 C ATOM 2059 CD GLU A 133 12.118 -19.602 -2.046 1.00 73.12 C ATOM 2060 OE1 GLU A 133 13.022 -20.090 -2.759 1.00 53.12 O ATOM 2061 OE2 GLU A 133 11.970 -19.934 -0.850 1.00 50.15 O ATOM 0 H GLU A 133 10.597 -17.613 -5.110 1.00 11.41 H new ATOM 0 HA GLU A 133 8.137 -18.769 -4.467 1.00 3.42 H new ATOM 0 HB2 GLU A 133 9.412 -19.838 -2.608 1.00 72.52 H new ATOM 0 HB3 GLU A 133 10.290 -19.892 -4.124 1.00 72.52 H new ATOM 0 HG2 GLU A 133 11.697 -17.966 -3.385 1.00 32.43 H new ATOM 0 HG3 GLU A 133 10.813 -17.895 -1.874 1.00 32.43 H new ATOM 2068 N GLN A 134 8.783 -16.153 -2.592 1.00 42.51 N ATOM 2069 CA GLN A 134 8.145 -15.169 -1.693 1.00 13.03 C ATOM 2070 C GLN A 134 6.828 -14.631 -2.303 1.00 2.22 C ATOM 2071 O GLN A 134 5.788 -14.668 -1.653 1.00 12.32 O ATOM 2072 CB GLN A 134 9.091 -13.978 -1.393 1.00 31.02 C ATOM 2073 CG GLN A 134 8.541 -12.992 -0.332 1.00 21.43 C ATOM 2074 CD GLN A 134 9.339 -11.696 -0.198 1.00 23.53 C ATOM 2075 OE1 GLN A 134 10.527 -11.655 -0.461 1.00 62.21 O ATOM 2076 NE2 GLN A 134 8.689 -10.638 0.248 1.00 51.02 N ATOM 0 H GLN A 134 9.662 -15.833 -2.998 1.00 42.51 H new ATOM 0 HA GLN A 134 7.925 -15.688 -0.760 1.00 13.03 H new ATOM 0 HB2 GLN A 134 10.051 -14.366 -1.051 1.00 31.02 H new ATOM 0 HB3 GLN A 134 9.278 -13.433 -2.318 1.00 31.02 H new ATOM 0 HG2 GLN A 134 7.510 -12.745 -0.584 1.00 21.43 H new ATOM 0 HG3 GLN A 134 8.521 -13.493 0.636 1.00 21.43 H new ATOM 0 HE21 GLN A 134 7.693 -10.703 0.460 1.00 51.02 H new ATOM 0 HE22 GLN A 134 9.182 -9.755 0.381 1.00 51.02 H new ATOM 2085 N MET A 135 6.888 -14.128 -3.563 1.00 50.44 N ATOM 2086 CA MET A 135 5.717 -13.496 -4.231 1.00 51.30 C ATOM 2087 C MET A 135 4.620 -14.528 -4.590 1.00 22.11 C ATOM 2088 O MET A 135 3.438 -14.172 -4.686 1.00 52.35 O ATOM 2089 CB MET A 135 6.135 -12.657 -5.466 1.00 34.11 C ATOM 2090 CG MET A 135 6.575 -13.414 -6.719 1.00 71.25 C ATOM 2091 SD MET A 135 7.019 -12.297 -8.071 1.00 21.30 S ATOM 2092 CE MET A 135 5.514 -11.333 -8.291 1.00 11.33 C ATOM 0 H MET A 135 7.731 -14.147 -4.136 1.00 50.44 H new ATOM 0 HA MET A 135 5.282 -12.808 -3.506 1.00 51.30 H new ATOM 0 HB2 MET A 135 5.295 -12.017 -5.737 1.00 34.11 H new ATOM 0 HB3 MET A 135 6.952 -12.001 -5.166 1.00 34.11 H new ATOM 0 HG2 MET A 135 7.429 -14.047 -6.478 1.00 71.25 H new ATOM 0 HG3 MET A 135 5.771 -14.074 -7.044 1.00 71.25 H new ATOM 0 HE1 MET A 135 5.547 -10.821 -9.253 1.00 11.33 H new ATOM 0 HE2 MET A 135 4.650 -11.996 -8.263 1.00 11.33 H new ATOM 0 HE3 MET A 135 5.433 -10.597 -7.491 1.00 11.33 H new ATOM 2102 N GLN A 136 5.026 -15.797 -4.814 1.00 42.13 N ATOM 2103 CA GLN A 136 4.084 -16.926 -4.903 1.00 15.53 C ATOM 2104 C GLN A 136 3.337 -17.097 -3.563 1.00 34.31 C ATOM 2105 O GLN A 136 2.121 -17.226 -3.555 1.00 43.35 O ATOM 2106 CB GLN A 136 4.788 -18.261 -5.320 1.00 61.03 C ATOM 2107 CG GLN A 136 4.997 -18.459 -6.847 1.00 60.13 C ATOM 2108 CD GLN A 136 6.237 -17.774 -7.422 1.00 31.52 C ATOM 2109 OE1 GLN A 136 7.302 -18.371 -7.506 1.00 10.44 O ATOM 2110 NE2 GLN A 136 6.122 -16.520 -7.808 1.00 45.12 N ATOM 0 H GLN A 136 6.003 -16.062 -4.936 1.00 42.13 H new ATOM 0 HA GLN A 136 3.366 -16.692 -5.689 1.00 15.53 H new ATOM 0 HB2 GLN A 136 5.760 -18.307 -4.829 1.00 61.03 H new ATOM 0 HB3 GLN A 136 4.199 -19.096 -4.940 1.00 61.03 H new ATOM 0 HG2 GLN A 136 5.061 -19.527 -7.055 1.00 60.13 H new ATOM 0 HG3 GLN A 136 4.117 -18.085 -7.371 1.00 60.13 H new ATOM 0 HE21 GLN A 136 5.224 -16.042 -7.729 1.00 45.12 H new ATOM 0 HE22 GLN A 136 6.931 -16.027 -8.186 1.00 45.12 H new ATOM 2119 N LYS A 137 4.084 -17.055 -2.439 1.00 13.43 N ATOM 2120 CA LYS A 137 3.514 -17.176 -1.074 1.00 73.54 C ATOM 2121 C LYS A 137 2.581 -15.985 -0.719 1.00 22.45 C ATOM 2122 O LYS A 137 1.612 -16.150 0.025 1.00 43.00 O ATOM 2123 CB LYS A 137 4.664 -17.328 -0.039 1.00 73.23 C ATOM 2124 CG LYS A 137 4.221 -17.602 1.417 1.00 43.21 C ATOM 2125 CD LYS A 137 3.174 -18.744 1.518 1.00 13.33 C ATOM 2126 CE LYS A 137 3.047 -19.308 2.936 1.00 25.43 C ATOM 2127 NZ LYS A 137 4.265 -20.059 3.338 1.00 51.24 N ATOM 0 H LYS A 137 5.097 -16.937 -2.449 1.00 13.43 H new ATOM 0 HA LYS A 137 2.891 -18.070 -1.044 1.00 73.54 H new ATOM 0 HB2 LYS A 137 5.314 -18.142 -0.361 1.00 73.23 H new ATOM 0 HB3 LYS A 137 5.263 -16.418 -0.052 1.00 73.23 H new ATOM 0 HG2 LYS A 137 5.094 -17.861 2.016 1.00 43.21 H new ATOM 0 HG3 LYS A 137 3.801 -16.691 1.843 1.00 43.21 H new ATOM 0 HD2 LYS A 137 2.203 -18.371 1.192 1.00 13.33 H new ATOM 0 HD3 LYS A 137 3.452 -19.547 0.836 1.00 13.33 H new ATOM 0 HE2 LYS A 137 2.874 -18.493 3.638 1.00 25.43 H new ATOM 0 HE3 LYS A 137 2.179 -19.965 2.990 1.00 25.43 H new ATOM 0 HZ1 LYS A 137 4.011 -20.780 4.044 1.00 51.24 H new ATOM 0 HZ2 LYS A 137 4.679 -20.522 2.504 1.00 51.24 H new ATOM 0 HZ3 LYS A 137 4.959 -19.402 3.748 1.00 51.24 H new ATOM 2141 N MET A 138 2.878 -14.798 -1.265 1.00 71.41 N ATOM 2142 CA MET A 138 2.002 -13.607 -1.136 1.00 12.53 C ATOM 2143 C MET A 138 0.643 -13.853 -1.848 1.00 75.23 C ATOM 2144 O MET A 138 -0.421 -13.473 -1.350 1.00 20.01 O ATOM 2145 CB MET A 138 2.719 -12.365 -1.733 1.00 72.34 C ATOM 2146 CG MET A 138 4.104 -12.026 -1.116 1.00 40.14 C ATOM 2147 SD MET A 138 4.057 -10.836 0.248 1.00 3.44 S ATOM 2148 CE MET A 138 3.233 -11.738 1.554 1.00 61.53 C ATOM 0 H MET A 138 3.725 -14.628 -1.807 1.00 71.41 H new ATOM 0 HA MET A 138 1.801 -13.424 -0.081 1.00 12.53 H new ATOM 0 HB2 MET A 138 2.847 -12.522 -2.804 1.00 72.34 H new ATOM 0 HB3 MET A 138 2.067 -11.500 -1.614 1.00 72.34 H new ATOM 0 HG2 MET A 138 4.563 -12.948 -0.759 1.00 40.14 H new ATOM 0 HG3 MET A 138 4.749 -11.632 -1.901 1.00 40.14 H new ATOM 0 HE1 MET A 138 3.427 -11.252 2.510 1.00 61.53 H new ATOM 0 HE2 MET A 138 2.160 -11.752 1.365 1.00 61.53 H new ATOM 0 HE3 MET A 138 3.610 -12.760 1.584 1.00 61.53 H new ATOM 2158 N ALA A 139 0.716 -14.513 -3.017 1.00 4.11 N ATOM 2159 CA ALA A 139 -0.467 -14.935 -3.797 1.00 34.42 C ATOM 2160 C ALA A 139 -1.236 -16.096 -3.102 1.00 63.34 C ATOM 2161 O ALA A 139 -2.465 -16.176 -3.204 1.00 14.14 O ATOM 2162 CB ALA A 139 -0.020 -15.322 -5.215 1.00 15.24 C ATOM 0 H ALA A 139 1.602 -14.772 -3.452 1.00 4.11 H new ATOM 0 HA ALA A 139 -1.166 -14.101 -3.857 1.00 34.42 H new ATOM 0 HB1 ALA A 139 -0.887 -15.635 -5.797 1.00 15.24 H new ATOM 0 HB2 ALA A 139 0.449 -14.464 -5.696 1.00 15.24 H new ATOM 0 HB3 ALA A 139 0.695 -16.143 -5.160 1.00 15.24 H new ATOM 2168 N GLU A 140 -0.499 -16.977 -2.381 1.00 72.04 N ATOM 2169 CA GLU A 140 -1.104 -18.083 -1.584 1.00 34.25 C ATOM 2170 C GLU A 140 -1.900 -17.527 -0.380 1.00 22.40 C ATOM 2171 O GLU A 140 -2.960 -18.047 -0.031 1.00 21.34 O ATOM 2172 CB GLU A 140 -0.026 -19.081 -1.071 1.00 63.12 C ATOM 2173 CG GLU A 140 0.848 -19.741 -2.160 1.00 11.51 C ATOM 2174 CD GLU A 140 0.050 -20.495 -3.236 1.00 53.34 C ATOM 2175 OE1 GLU A 140 -0.439 -21.607 -2.954 1.00 54.32 O ATOM 2176 OE2 GLU A 140 -0.081 -19.987 -4.371 1.00 1.21 O ATOM 0 H GLU A 140 0.519 -16.946 -2.333 1.00 72.04 H new ATOM 0 HA GLU A 140 -1.782 -18.617 -2.250 1.00 34.25 H new ATOM 0 HB2 GLU A 140 0.628 -18.555 -0.376 1.00 63.12 H new ATOM 0 HB3 GLU A 140 -0.525 -19.868 -0.506 1.00 63.12 H new ATOM 0 HG2 GLU A 140 1.450 -18.971 -2.643 1.00 11.51 H new ATOM 0 HG3 GLU A 140 1.540 -20.435 -1.683 1.00 11.51 H new ATOM 2183 N MET A 141 -1.353 -16.472 0.247 1.00 41.04 N ATOM 2184 CA MET A 141 -2.036 -15.705 1.317 1.00 24.33 C ATOM 2185 C MET A 141 -3.260 -14.932 0.772 1.00 61.25 C ATOM 2186 O MET A 141 -4.194 -14.630 1.523 1.00 74.35 O ATOM 2187 CB MET A 141 -1.028 -14.712 1.962 1.00 20.13 C ATOM 2188 CG MET A 141 0.035 -15.372 2.852 1.00 3.51 C ATOM 2189 SD MET A 141 -0.641 -15.969 4.418 1.00 24.25 S ATOM 2190 CE MET A 141 -1.097 -14.435 5.236 1.00 64.24 C ATOM 0 H MET A 141 -0.420 -16.121 0.029 1.00 41.04 H new ATOM 0 HA MET A 141 -2.397 -16.411 2.066 1.00 24.33 H new ATOM 0 HB2 MET A 141 -0.526 -14.157 1.169 1.00 20.13 H new ATOM 0 HB3 MET A 141 -1.582 -13.986 2.557 1.00 20.13 H new ATOM 0 HG2 MET A 141 0.487 -16.206 2.314 1.00 3.51 H new ATOM 0 HG3 MET A 141 0.830 -14.655 3.054 1.00 3.51 H new ATOM 0 HE1 MET A 141 -1.169 -14.603 6.311 1.00 64.24 H new ATOM 0 HE2 MET A 141 -0.339 -13.678 5.038 1.00 64.24 H new ATOM 0 HE3 MET A 141 -2.060 -14.093 4.857 1.00 64.24 H new ATOM 2200 N GLY A 142 -3.234 -14.619 -0.537 1.00 11.30 N ATOM 2201 CA GLY A 142 -4.248 -13.760 -1.158 1.00 42.42 C ATOM 2202 C GLY A 142 -4.008 -12.274 -0.882 1.00 73.44 C ATOM 2203 O GLY A 142 -4.925 -11.460 -1.024 1.00 3.23 O ATOM 0 H GLY A 142 -2.518 -14.951 -1.183 1.00 11.30 H new ATOM 0 HA2 GLY A 142 -4.253 -13.930 -2.235 1.00 42.42 H new ATOM 0 HA3 GLY A 142 -5.234 -14.040 -0.787 1.00 42.42 H new ATOM 2207 N MET A 143 -2.753 -11.931 -0.494 1.00 54.23 N ATOM 2208 CA MET A 143 -2.327 -10.541 -0.205 1.00 54.13 C ATOM 2209 C MET A 143 -2.597 -9.610 -1.401 1.00 13.14 C ATOM 2210 O MET A 143 -3.017 -8.473 -1.219 1.00 74.14 O ATOM 2211 CB MET A 143 -0.813 -10.494 0.152 1.00 71.15 C ATOM 2212 CG MET A 143 -0.252 -9.072 0.380 1.00 23.25 C ATOM 2213 SD MET A 143 1.540 -9.038 0.589 1.00 50.32 S ATOM 2214 CE MET A 143 1.879 -7.273 0.633 1.00 60.12 C ATOM 0 H MET A 143 -2.006 -12.615 -0.373 1.00 54.23 H new ATOM 0 HA MET A 143 -2.912 -10.194 0.647 1.00 54.13 H new ATOM 0 HB2 MET A 143 -0.646 -11.085 1.052 1.00 71.15 H new ATOM 0 HB3 MET A 143 -0.249 -10.969 -0.650 1.00 71.15 H new ATOM 0 HG2 MET A 143 -0.524 -8.441 -0.466 1.00 23.25 H new ATOM 0 HG3 MET A 143 -0.722 -8.640 1.264 1.00 23.25 H new ATOM 0 HE1 MET A 143 2.832 -7.098 1.132 1.00 60.12 H new ATOM 0 HE2 MET A 143 1.926 -6.886 -0.385 1.00 60.12 H new ATOM 0 HE3 MET A 143 1.085 -6.763 1.179 1.00 60.12 H new ATOM 2224 N GLU A 144 -2.359 -10.125 -2.619 1.00 33.24 N ATOM 2225 CA GLU A 144 -2.552 -9.356 -3.863 1.00 11.44 C ATOM 2226 C GLU A 144 -4.037 -8.948 -4.087 1.00 50.15 C ATOM 2227 O GLU A 144 -4.321 -7.832 -4.550 1.00 0.13 O ATOM 2228 CB GLU A 144 -1.993 -10.145 -5.072 1.00 73.12 C ATOM 2229 CG GLU A 144 -2.654 -11.501 -5.369 1.00 34.14 C ATOM 2230 CD GLU A 144 -2.124 -12.114 -6.673 1.00 52.23 C ATOM 2231 OE1 GLU A 144 -0.950 -12.538 -6.701 1.00 51.55 O ATOM 2232 OE2 GLU A 144 -2.858 -12.138 -7.685 1.00 41.42 O ATOM 0 H GLU A 144 -2.030 -11.079 -2.770 1.00 33.24 H new ATOM 0 HA GLU A 144 -1.993 -8.426 -3.764 1.00 11.44 H new ATOM 0 HB2 GLU A 144 -2.084 -9.519 -5.960 1.00 73.12 H new ATOM 0 HB3 GLU A 144 -0.929 -10.313 -4.908 1.00 73.12 H new ATOM 0 HG2 GLU A 144 -2.468 -12.186 -4.542 1.00 34.14 H new ATOM 0 HG3 GLU A 144 -3.734 -11.372 -5.439 1.00 34.14 H new ATOM 2239 N GLU A 145 -4.976 -9.848 -3.723 1.00 33.34 N ATOM 2240 CA GLU A 145 -6.429 -9.586 -3.820 1.00 31.21 C ATOM 2241 C GLU A 145 -6.893 -8.617 -2.702 1.00 73.11 C ATOM 2242 O GLU A 145 -7.578 -7.633 -2.973 1.00 34.12 O ATOM 2243 CB GLU A 145 -7.210 -10.923 -3.745 1.00 65.21 C ATOM 2244 CG GLU A 145 -8.742 -10.799 -3.933 1.00 74.23 C ATOM 2245 CD GLU A 145 -9.148 -10.238 -5.310 1.00 63.23 C ATOM 2246 OE1 GLU A 145 -8.997 -10.963 -6.320 1.00 42.52 O ATOM 2247 OE2 GLU A 145 -9.634 -9.087 -5.391 1.00 53.23 O ATOM 0 H GLU A 145 -4.750 -10.772 -3.355 1.00 33.34 H new ATOM 0 HA GLU A 145 -6.634 -9.110 -4.779 1.00 31.21 H new ATOM 0 HB2 GLU A 145 -6.819 -11.598 -4.507 1.00 65.21 H new ATOM 0 HB3 GLU A 145 -7.014 -11.387 -2.778 1.00 65.21 H new ATOM 0 HG2 GLU A 145 -9.197 -11.781 -3.801 1.00 74.23 H new ATOM 0 HG3 GLU A 145 -9.145 -10.153 -3.153 1.00 74.23 H new ATOM 2254 N GLY A 146 -6.491 -8.915 -1.446 1.00 52.24 N ATOM 2255 CA GLY A 146 -6.796 -8.055 -0.284 1.00 22.33 C ATOM 2256 C GLY A 146 -6.214 -6.635 -0.386 1.00 10.44 C ATOM 2257 O GLY A 146 -6.777 -5.680 0.166 1.00 5.45 O ATOM 0 H GLY A 146 -5.952 -9.749 -1.212 1.00 52.24 H new ATOM 0 HA2 GLY A 146 -7.878 -7.986 -0.170 1.00 22.33 H new ATOM 0 HA3 GLY A 146 -6.411 -8.531 0.618 1.00 22.33 H new ATOM 2261 N MET A 147 -5.082 -6.515 -1.102 1.00 74.03 N ATOM 2262 CA MET A 147 -4.434 -5.221 -1.403 1.00 11.35 C ATOM 2263 C MET A 147 -5.320 -4.391 -2.354 1.00 62.34 C ATOM 2264 O MET A 147 -5.503 -3.192 -2.149 1.00 15.02 O ATOM 2265 CB MET A 147 -3.044 -5.455 -2.043 1.00 74.15 C ATOM 2266 CG MET A 147 -2.251 -4.180 -2.342 1.00 22.33 C ATOM 2267 SD MET A 147 -0.694 -4.516 -3.189 1.00 64.15 S ATOM 2268 CE MET A 147 -0.103 -2.853 -3.497 1.00 45.12 C ATOM 0 H MET A 147 -4.586 -7.317 -1.492 1.00 74.03 H new ATOM 0 HA MET A 147 -4.304 -4.670 -0.471 1.00 11.35 H new ATOM 0 HB2 MET A 147 -2.454 -6.085 -1.377 1.00 74.15 H new ATOM 0 HB3 MET A 147 -3.176 -6.010 -2.972 1.00 74.15 H new ATOM 0 HG2 MET A 147 -2.858 -3.514 -2.955 1.00 22.33 H new ATOM 0 HG3 MET A 147 -2.047 -3.656 -1.408 1.00 22.33 H new ATOM 0 HE1 MET A 147 0.798 -2.895 -4.108 1.00 45.12 H new ATOM 0 HE2 MET A 147 -0.871 -2.285 -4.021 1.00 45.12 H new ATOM 0 HE3 MET A 147 0.124 -2.366 -2.549 1.00 45.12 H new ATOM 2278 N ARG A 148 -5.863 -5.064 -3.393 1.00 30.33 N ATOM 2279 CA ARG A 148 -6.831 -4.460 -4.335 1.00 24.41 C ATOM 2280 C ARG A 148 -8.065 -3.918 -3.573 1.00 71.42 C ATOM 2281 O ARG A 148 -8.471 -2.783 -3.784 1.00 64.33 O ATOM 2282 CB ARG A 148 -7.295 -5.504 -5.387 1.00 1.20 C ATOM 2283 CG ARG A 148 -8.310 -4.954 -6.420 1.00 73.04 C ATOM 2284 CD ARG A 148 -9.049 -6.054 -7.186 1.00 55.35 C ATOM 2285 NE ARG A 148 -8.140 -6.959 -7.911 1.00 20.23 N ATOM 2286 CZ ARG A 148 -8.496 -8.082 -8.497 1.00 14.02 C ATOM 2287 NH1 ARG A 148 -9.717 -8.521 -8.427 1.00 15.33 N ATOM 2288 NH2 ARG A 148 -7.614 -8.795 -9.113 1.00 32.13 N ATOM 0 H ARG A 148 -5.643 -6.038 -3.601 1.00 30.33 H new ATOM 0 HA ARG A 148 -6.333 -3.635 -4.845 1.00 24.41 H new ATOM 0 HB2 ARG A 148 -6.421 -5.882 -5.918 1.00 1.20 H new ATOM 0 HB3 ARG A 148 -7.744 -6.351 -4.869 1.00 1.20 H new ATOM 0 HG2 ARG A 148 -9.038 -4.327 -5.905 1.00 73.04 H new ATOM 0 HG3 ARG A 148 -7.785 -4.316 -7.131 1.00 73.04 H new ATOM 0 HD2 ARG A 148 -9.650 -6.635 -6.487 1.00 55.35 H new ATOM 0 HD3 ARG A 148 -9.738 -5.595 -7.895 1.00 55.35 H new ATOM 0 HE ARG A 148 -7.156 -6.694 -7.963 1.00 20.23 H new ATOM 0 HH11 ARG A 148 -10.420 -7.993 -7.911 1.00 15.33 H new ATOM 0 HH12 ARG A 148 -9.972 -9.394 -8.889 1.00 15.33 H new ATOM 0 HH21 ARG A 148 -6.642 -8.488 -9.145 1.00 32.13 H new ATOM 0 HH22 ARG A 148 -7.889 -9.666 -9.568 1.00 32.13 H new ATOM 2302 N GLU A 149 -8.614 -4.760 -2.672 1.00 14.53 N ATOM 2303 CA GLU A 149 -9.806 -4.436 -1.838 1.00 61.42 C ATOM 2304 C GLU A 149 -9.566 -3.196 -0.934 1.00 63.21 C ATOM 2305 O GLU A 149 -10.494 -2.417 -0.671 1.00 53.34 O ATOM 2306 CB GLU A 149 -10.182 -5.675 -0.983 1.00 11.21 C ATOM 2307 CG GLU A 149 -10.520 -6.932 -1.808 1.00 73.52 C ATOM 2308 CD GLU A 149 -10.814 -8.161 -0.937 1.00 44.14 C ATOM 2309 OE1 GLU A 149 -11.882 -8.184 -0.283 1.00 22.41 O ATOM 2310 OE2 GLU A 149 -9.999 -9.113 -0.901 1.00 25.03 O ATOM 0 H GLU A 149 -8.244 -5.694 -2.496 1.00 14.53 H new ATOM 0 HA GLU A 149 -10.632 -4.184 -2.503 1.00 61.42 H new ATOM 0 HB2 GLU A 149 -9.353 -5.905 -0.313 1.00 11.21 H new ATOM 0 HB3 GLU A 149 -11.038 -5.424 -0.357 1.00 11.21 H new ATOM 0 HG2 GLU A 149 -11.385 -6.725 -2.438 1.00 73.52 H new ATOM 0 HG3 GLU A 149 -9.687 -7.157 -2.475 1.00 73.52 H new ATOM 2317 N ALA A 150 -8.312 -3.039 -0.462 1.00 1.21 N ATOM 2318 CA ALA A 150 -7.861 -1.827 0.271 1.00 72.40 C ATOM 2319 C ALA A 150 -7.931 -0.568 -0.629 1.00 63.41 C ATOM 2320 O ALA A 150 -8.418 0.491 -0.218 1.00 62.14 O ATOM 2321 CB ALA A 150 -6.422 -2.031 0.777 1.00 65.03 C ATOM 0 H ALA A 150 -7.583 -3.743 -0.575 1.00 1.21 H new ATOM 0 HA ALA A 150 -8.528 -1.673 1.119 1.00 72.40 H new ATOM 0 HB1 ALA A 150 -6.095 -1.140 1.314 1.00 65.03 H new ATOM 0 HB2 ALA A 150 -6.390 -2.890 1.447 1.00 65.03 H new ATOM 0 HB3 ALA A 150 -5.760 -2.207 -0.071 1.00 65.03 H new ATOM 2327 N ILE A 151 -7.443 -0.722 -1.874 1.00 64.13 N ATOM 2328 CA ILE A 151 -7.385 0.367 -2.878 1.00 14.34 C ATOM 2329 C ILE A 151 -8.793 0.699 -3.461 1.00 41.15 C ATOM 2330 O ILE A 151 -9.040 1.813 -3.942 1.00 74.45 O ATOM 2331 CB ILE A 151 -6.347 0.008 -4.008 1.00 51.52 C ATOM 2332 CG1 ILE A 151 -4.959 -0.332 -3.369 1.00 11.51 C ATOM 2333 CG2 ILE A 151 -6.197 1.151 -5.044 1.00 73.44 C ATOM 2334 CD1 ILE A 151 -3.947 -0.928 -4.327 1.00 5.42 C ATOM 0 H ILE A 151 -7.075 -1.609 -2.218 1.00 64.13 H new ATOM 0 HA ILE A 151 -7.043 1.273 -2.378 1.00 14.34 H new ATOM 0 HB ILE A 151 -6.726 -0.864 -4.541 1.00 51.52 H new ATOM 0 HG12 ILE A 151 -4.540 0.578 -2.940 1.00 11.51 H new ATOM 0 HG13 ILE A 151 -5.115 -1.030 -2.547 1.00 11.51 H new ATOM 0 HG21 ILE A 151 -5.472 0.860 -5.804 1.00 73.44 H new ATOM 0 HG22 ILE A 151 -7.161 1.343 -5.516 1.00 73.44 H new ATOM 0 HG23 ILE A 151 -5.853 2.055 -4.541 1.00 73.44 H new ATOM 0 HD11 ILE A 151 -3.017 -1.130 -3.795 1.00 5.42 H new ATOM 0 HD12 ILE A 151 -4.339 -1.858 -4.738 1.00 5.42 H new ATOM 0 HD13 ILE A 151 -3.755 -0.225 -5.138 1.00 5.42 H new ATOM 2346 N GLU A 152 -9.719 -0.269 -3.383 1.00 70.51 N ATOM 2347 CA GLU A 152 -11.144 -0.051 -3.720 1.00 73.31 C ATOM 2348 C GLU A 152 -11.871 0.682 -2.576 1.00 61.31 C ATOM 2349 O GLU A 152 -12.869 1.373 -2.805 1.00 73.44 O ATOM 2350 CB GLU A 152 -11.845 -1.395 -4.035 1.00 43.22 C ATOM 2351 CG GLU A 152 -11.248 -2.138 -5.241 1.00 15.32 C ATOM 2352 CD GLU A 152 -12.075 -3.350 -5.678 1.00 63.45 C ATOM 2353 OE1 GLU A 152 -11.942 -4.435 -5.068 1.00 54.13 O ATOM 2354 OE2 GLU A 152 -12.888 -3.208 -6.615 1.00 60.32 O ATOM 0 H GLU A 152 -9.508 -1.222 -3.087 1.00 70.51 H new ATOM 0 HA GLU A 152 -11.188 0.576 -4.611 1.00 73.31 H new ATOM 0 HB2 GLU A 152 -11.786 -2.039 -3.158 1.00 43.22 H new ATOM 0 HB3 GLU A 152 -12.902 -1.208 -4.223 1.00 43.22 H new ATOM 0 HG2 GLU A 152 -11.161 -1.446 -6.078 1.00 15.32 H new ATOM 0 HG3 GLU A 152 -10.239 -2.466 -4.993 1.00 15.32 H new ATOM 2361 N GLN A 153 -11.344 0.538 -1.344 1.00 44.23 N ATOM 2362 CA GLN A 153 -11.866 1.243 -0.159 1.00 2.11 C ATOM 2363 C GLN A 153 -11.283 2.684 -0.076 1.00 31.45 C ATOM 2364 O GLN A 153 -11.801 3.522 0.657 1.00 52.10 O ATOM 2365 CB GLN A 153 -11.590 0.409 1.125 1.00 72.33 C ATOM 2366 CG GLN A 153 -12.217 0.983 2.420 1.00 61.34 C ATOM 2367 CD GLN A 153 -12.293 -0.036 3.557 1.00 1.41 C ATOM 2368 OE1 GLN A 153 -11.240 -0.151 4.332 1.00 63.33 O flip ATOM 2369 NE2 GLN A 153 -13.293 -0.726 3.724 1.00 0.21 N flip ATOM 0 H GLN A 153 -10.548 -0.068 -1.144 1.00 44.23 H new ATOM 0 HA GLN A 153 -12.947 1.349 -0.248 1.00 2.11 H new ATOM 0 HB2 GLN A 153 -11.968 -0.602 0.973 1.00 72.33 H new ATOM 0 HB3 GLN A 153 -10.512 0.329 1.265 1.00 72.33 H new ATOM 0 HG2 GLN A 153 -11.632 1.842 2.749 1.00 61.34 H new ATOM 0 HG3 GLN A 153 -13.221 1.347 2.199 1.00 61.34 H new ATOM 0 HE21 GLN A 153 -14.098 -0.616 3.107 1.00 0.21 H new ATOM 0 HE22 GLN A 153 -13.320 -1.410 4.480 1.00 0.21 H new ATOM 2378 N ILE A 154 -10.214 2.974 -0.865 1.00 45.40 N ATOM 2379 CA ILE A 154 -9.733 4.371 -1.095 1.00 33.14 C ATOM 2380 C ILE A 154 -10.819 5.210 -1.793 1.00 5.45 C ATOM 2381 O ILE A 154 -10.963 6.406 -1.525 1.00 71.42 O ATOM 2382 CB ILE A 154 -8.427 4.424 -1.961 1.00 23.24 C ATOM 2383 CG1 ILE A 154 -7.294 3.648 -1.264 1.00 52.44 C ATOM 2384 CG2 ILE A 154 -7.988 5.886 -2.268 1.00 72.01 C ATOM 2385 CD1 ILE A 154 -5.987 3.606 -2.020 1.00 34.01 C ATOM 0 H ILE A 154 -9.668 2.264 -1.353 1.00 45.40 H new ATOM 0 HA ILE A 154 -9.509 4.782 -0.111 1.00 33.14 H new ATOM 0 HB ILE A 154 -8.646 3.949 -2.917 1.00 23.24 H new ATOM 0 HG12 ILE A 154 -7.116 4.096 -0.286 1.00 52.44 H new ATOM 0 HG13 ILE A 154 -7.628 2.625 -1.090 1.00 52.44 H new ATOM 0 HG21 ILE A 154 -7.079 5.874 -2.870 1.00 72.01 H new ATOM 0 HG22 ILE A 154 -8.780 6.396 -2.816 1.00 72.01 H new ATOM 0 HG23 ILE A 154 -7.797 6.412 -1.333 1.00 72.01 H new ATOM 0 HD11 ILE A 154 -5.254 3.038 -1.448 1.00 34.01 H new ATOM 0 HD12 ILE A 154 -6.142 3.128 -2.988 1.00 34.01 H new ATOM 0 HD13 ILE A 154 -5.621 4.622 -2.171 1.00 34.01 H new ATOM 2397 N ASP A 155 -11.575 4.562 -2.691 1.00 70.10 N ATOM 2398 CA ASP A 155 -12.712 5.186 -3.381 1.00 20.44 C ATOM 2399 C ASP A 155 -13.784 5.607 -2.338 1.00 32.25 C ATOM 2400 O ASP A 155 -14.382 6.661 -2.454 1.00 10.25 O ATOM 2401 CB ASP A 155 -13.285 4.198 -4.437 1.00 32.15 C ATOM 2402 CG ASP A 155 -13.962 4.912 -5.619 1.00 61.13 C ATOM 2403 OD1 ASP A 155 -15.154 5.268 -5.510 1.00 64.14 O ATOM 2404 OD2 ASP A 155 -13.300 5.103 -6.671 1.00 2.23 O ATOM 0 H ASP A 155 -11.415 3.591 -2.959 1.00 70.10 H new ATOM 0 HA ASP A 155 -12.388 6.084 -3.907 1.00 20.44 H new ATOM 0 HB2 ASP A 155 -12.479 3.568 -4.813 1.00 32.15 H new ATOM 0 HB3 ASP A 155 -14.007 3.538 -3.956 1.00 32.15 H new ATOM 2409 N ALA A 156 -13.951 4.774 -1.290 1.00 62.45 N ATOM 2410 CA ALA A 156 -14.812 5.073 -0.117 1.00 22.02 C ATOM 2411 C ALA A 156 -14.254 6.234 0.750 1.00 52.13 C ATOM 2412 O ALA A 156 -15.009 6.911 1.431 1.00 12.32 O ATOM 2413 CB ALA A 156 -14.995 3.812 0.747 1.00 34.15 C ATOM 0 H ALA A 156 -13.490 3.866 -1.230 1.00 62.45 H new ATOM 0 HA ALA A 156 -15.778 5.394 -0.506 1.00 22.02 H new ATOM 0 HB1 ALA A 156 -15.628 4.046 1.603 1.00 34.15 H new ATOM 0 HB2 ALA A 156 -15.464 3.028 0.152 1.00 34.15 H new ATOM 0 HB3 ALA A 156 -14.022 3.468 1.099 1.00 34.15 H new ATOM 2419 N VAL A 157 -12.921 6.409 0.767 1.00 53.03 N ATOM 2420 CA VAL A 157 -12.260 7.506 1.528 1.00 63.40 C ATOM 2421 C VAL A 157 -12.454 8.869 0.815 1.00 55.40 C ATOM 2422 O VAL A 157 -12.852 9.862 1.433 1.00 33.34 O ATOM 2423 CB VAL A 157 -10.715 7.241 1.716 1.00 44.32 C ATOM 2424 CG1 VAL A 157 -10.030 8.358 2.551 1.00 55.22 C ATOM 2425 CG2 VAL A 157 -10.458 5.855 2.343 1.00 73.44 C ATOM 0 H VAL A 157 -12.270 5.807 0.263 1.00 53.03 H new ATOM 0 HA VAL A 157 -12.732 7.535 2.510 1.00 63.40 H new ATOM 0 HB VAL A 157 -10.268 7.255 0.722 1.00 44.32 H new ATOM 0 HG11 VAL A 157 -8.968 8.135 2.655 1.00 55.22 H new ATOM 0 HG12 VAL A 157 -10.152 9.316 2.046 1.00 55.22 H new ATOM 0 HG13 VAL A 157 -10.489 8.407 3.538 1.00 55.22 H new ATOM 0 HG21 VAL A 157 -9.385 5.702 2.460 1.00 73.44 H new ATOM 0 HG22 VAL A 157 -10.941 5.802 3.319 1.00 73.44 H new ATOM 0 HG23 VAL A 157 -10.866 5.081 1.694 1.00 73.44 H new ATOM 2435 N LEU A 158 -12.185 8.884 -0.503 1.00 3.12 N ATOM 2436 CA LEU A 158 -12.152 10.129 -1.310 1.00 73.53 C ATOM 2437 C LEU A 158 -13.567 10.564 -1.752 1.00 54.20 C ATOM 2438 O LEU A 158 -13.825 11.758 -1.937 1.00 3.14 O ATOM 2439 CB LEU A 158 -11.216 9.946 -2.537 1.00 72.41 C ATOM 2440 CG LEU A 158 -9.754 9.485 -2.210 1.00 24.12 C ATOM 2441 CD1 LEU A 158 -8.883 9.412 -3.473 1.00 41.53 C ATOM 2442 CD2 LEU A 158 -9.103 10.375 -1.133 1.00 73.31 C ATOM 0 H LEU A 158 -11.985 8.041 -1.041 1.00 3.12 H new ATOM 0 HA LEU A 158 -11.755 10.926 -0.682 1.00 73.53 H new ATOM 0 HB2 LEU A 158 -11.666 9.216 -3.209 1.00 72.41 H new ATOM 0 HB3 LEU A 158 -11.168 10.891 -3.079 1.00 72.41 H new ATOM 0 HG LEU A 158 -9.823 8.476 -1.803 1.00 24.12 H new ATOM 0 HD11 LEU A 158 -7.878 9.089 -3.203 1.00 41.53 H new ATOM 0 HD12 LEU A 158 -9.318 8.699 -4.174 1.00 41.53 H new ATOM 0 HD13 LEU A 158 -8.835 10.396 -3.939 1.00 41.53 H new ATOM 0 HD21 LEU A 158 -8.091 10.024 -0.934 1.00 73.31 H new ATOM 0 HD22 LEU A 158 -9.067 11.406 -1.486 1.00 73.31 H new ATOM 0 HD23 LEU A 158 -9.691 10.326 -0.216 1.00 73.31 H new ATOM 2454 N SER A 159 -14.464 9.583 -1.942 1.00 31.02 N ATOM 2455 CA SER A 159 -15.897 9.841 -2.227 1.00 3.11 C ATOM 2456 C SER A 159 -16.674 10.023 -0.911 1.00 33.14 C ATOM 2457 O SER A 159 -17.286 11.076 -0.671 1.00 35.33 O ATOM 2458 CB SER A 159 -16.520 8.671 -3.033 1.00 53.00 C ATOM 2459 OG SER A 159 -17.866 8.941 -3.410 1.00 54.30 O ATOM 0 H SER A 159 -14.225 8.592 -1.904 1.00 31.02 H new ATOM 0 HA SER A 159 -15.964 10.753 -2.821 1.00 3.11 H new ATOM 0 HB2 SER A 159 -15.923 8.488 -3.926 1.00 53.00 H new ATOM 0 HB3 SER A 159 -16.487 7.760 -2.435 1.00 53.00 H new ATOM 0 HG SER A 159 -18.222 8.182 -3.917 1.00 54.30 H new