USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 833 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 59 ASN : amide:sc= 1.42 K(o=1.9,f=-8.9!) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.436 K(o=1.9,f=0.94) USER MOD Set 2.1: A 32 CYS SG : rot 178:sc= 0.622 USER MOD Set 2.2: A 35 CYS SG : rot 69:sc= -0.228 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.333 USER MOD Set 3.2: A 18 LYS NZ :NH3+ -154:sc= 0.0971 (180deg=-0.536) USER MOD Set 4.1: A 8 THR OG1 : rot 144:sc= 1.91 USER MOD Set 4.2: A 11 SER OG : rot -92:sc= 2.04 USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.202 (180deg=-0.0431) USER MOD Single : A 1 SER OG : rot 180:sc= 0.125 USER MOD Single : A 3 LYS NZ :NH3+ 158:sc= 0.833 (180deg=0.467) USER MOD Single : A 6 HIS : no HD1:sc= 0.529 K(o=0.53,f=-2.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 172:sc=-0.00156 (180deg=-0.0891) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.54) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc=-0.00116 (180deg=-0.0467) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 0.171 (180deg=0.0397) USER MOD Single : A 63 ASN : amide:sc= 1.11 K(o=1.1,f=-6.5!) USER MOD Single : A 66 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 0.88 (180deg=0.774) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -58:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ -135:sc= -0.052 (180deg=-0.237) USER MOD Single : A 83 ASN : amide:sc= 1.61 K(o=1.6,f=-4.5!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0845 USER MOD Single : A 90 LYS NZ :NH3+ -135:sc= -0.0383 (180deg=-0.505) USER MOD Single : A 95 SER OG : rot 180:sc= 0.593 USER MOD Single : A 96 LYS NZ :NH3+ -177:sc= 1.6 (180deg=1.59) USER MOD Single : A 98 GLN : amide:sc= 0.278 X(o=0.28,f=-0.19) USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0143) USER MOD Single : A 106 ASN : amide:sc= 0.373 K(o=0.37,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.791 -1.223 -5.938 1.00 0.00 N ATOM 2 CA SER A 1 -15.164 -0.537 -7.052 1.00 0.00 C ATOM 3 C SER A 1 -13.747 -1.052 -7.300 1.00 0.00 C ATOM 4 O SER A 1 -12.848 -0.277 -7.622 1.00 0.00 O ATOM 5 CB SER A 1 -15.180 0.964 -6.753 1.00 0.00 C ATOM 6 OG SER A 1 -16.468 1.328 -6.286 1.00 0.00 O ATOM 0 H1 SER A 1 -16.402 -0.559 -5.421 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.364 -2.014 -6.295 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.057 -1.588 -5.298 1.00 0.00 H new ATOM 0 HA SER A 1 -15.719 -0.733 -7.969 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.426 1.207 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.931 1.529 -7.651 1.00 0.00 H new ATOM 0 HG SER A 1 -16.486 2.288 -6.091 1.00 0.00 H new ATOM 12 N ASP A 2 -13.539 -2.363 -7.149 1.00 0.00 N ATOM 13 CA ASP A 2 -12.245 -3.018 -7.321 1.00 0.00 C ATOM 14 C ASP A 2 -11.855 -3.122 -8.802 1.00 0.00 C ATOM 15 O ASP A 2 -11.523 -4.197 -9.296 1.00 0.00 O ATOM 16 CB ASP A 2 -12.282 -4.383 -6.617 1.00 0.00 C ATOM 17 CG ASP A 2 -10.944 -5.125 -6.646 1.00 0.00 C ATOM 18 OD1 ASP A 2 -9.907 -4.477 -6.387 1.00 0.00 O ATOM 19 OD2 ASP A 2 -10.976 -6.347 -6.903 1.00 0.00 O ATOM 0 H ASP A 2 -14.285 -3.011 -6.898 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.465 -2.414 -6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.586 -4.239 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.043 -5.005 -7.089 1.00 0.00 H new ATOM 24 N LYS A 3 -11.839 -1.995 -9.516 1.00 0.00 N ATOM 25 CA LYS A 3 -11.432 -1.898 -10.914 1.00 0.00 C ATOM 26 C LYS A 3 -9.902 -1.831 -10.923 1.00 0.00 C ATOM 27 O LYS A 3 -9.316 -0.862 -11.398 1.00 0.00 O ATOM 28 CB LYS A 3 -12.066 -0.636 -11.521 1.00 0.00 C ATOM 29 CG LYS A 3 -13.597 -0.745 -11.589 1.00 0.00 C ATOM 30 CD LYS A 3 -14.267 0.611 -11.849 1.00 0.00 C ATOM 31 CE LYS A 3 -13.752 1.297 -13.121 1.00 0.00 C ATOM 32 NZ LYS A 3 -14.585 2.462 -13.470 1.00 0.00 N ATOM 0 H LYS A 3 -12.119 -1.097 -9.122 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.760 -2.750 -11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.789 0.233 -10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.668 -0.475 -12.523 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.875 -1.442 -12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.971 -1.159 -10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.345 0.469 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.095 1.265 -10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.720 1.615 -12.974 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.752 0.586 -13.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.040 3.111 -14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.432 2.142 -13.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.872 2.956 -12.601 1.00 0.00 H new ATOM 46 N ILE A 4 -9.267 -2.843 -10.330 1.00 0.00 N ATOM 47 CA ILE A 4 -7.835 -2.889 -10.088 1.00 0.00 C ATOM 48 C ILE A 4 -7.215 -4.122 -10.734 1.00 0.00 C ATOM 49 O ILE A 4 -7.849 -5.172 -10.818 1.00 0.00 O ATOM 50 CB ILE A 4 -7.628 -2.893 -8.560 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.116 -1.549 -7.985 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.181 -3.171 -8.141 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.813 -1.384 -6.497 1.00 0.00 C ATOM 0 H ILE A 4 -9.755 -3.675 -9.997 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.342 -2.024 -10.532 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.214 -3.716 -8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.648 -0.734 -8.537 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.191 -1.463 -8.142 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.108 -3.159 -7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.876 -4.148 -8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.528 -2.404 -8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.183 -0.417 -6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.304 -2.179 -5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.736 -1.438 -6.337 1.00 0.00 H new ATOM 65 N ILE A 5 -5.954 -4.003 -11.155 1.00 0.00 N ATOM 66 CA ILE A 5 -5.199 -5.119 -11.701 1.00 0.00 C ATOM 67 C ILE A 5 -4.526 -5.849 -10.529 1.00 0.00 C ATOM 68 O ILE A 5 -3.564 -5.345 -9.947 1.00 0.00 O ATOM 69 CB ILE A 5 -4.174 -4.622 -12.739 1.00 0.00 C ATOM 70 CG1 ILE A 5 -4.790 -3.686 -13.798 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.471 -5.809 -13.410 1.00 0.00 C ATOM 72 CD1 ILE A 5 -5.972 -4.284 -14.570 1.00 0.00 C ATOM 0 H ILE A 5 -5.432 -3.127 -11.124 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.857 -5.812 -12.225 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.440 -4.030 -12.193 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.120 -2.771 -13.307 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.014 -3.404 -14.510 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.751 -5.440 -14.140 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.952 -6.399 -12.655 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.210 -6.433 -13.913 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.341 -3.556 -15.292 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.647 -5.183 -15.094 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.770 -4.540 -13.873 1.00 0.00 H new ATOM 84 N HIS A 6 -5.021 -7.033 -10.162 1.00 0.00 N ATOM 85 CA HIS A 6 -4.421 -7.828 -9.097 1.00 0.00 C ATOM 86 C HIS A 6 -3.229 -8.575 -9.703 1.00 0.00 C ATOM 87 O HIS A 6 -3.401 -9.622 -10.322 1.00 0.00 O ATOM 88 CB HIS A 6 -5.457 -8.746 -8.441 1.00 0.00 C ATOM 89 CG HIS A 6 -6.384 -7.979 -7.527 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.372 -8.008 -6.144 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.289 -7.033 -7.918 1.00 0.00 C ATOM 92 CE1 HIS A 6 -7.269 -7.103 -5.708 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.838 -6.501 -6.768 1.00 0.00 N ATOM 0 H HIS A 6 -5.841 -7.461 -10.592 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.060 -7.197 -8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.040 -9.247 -9.214 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.946 -9.523 -7.872 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.529 -6.754 -8.933 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.495 -6.894 -4.673 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.553 -5.775 -6.729 1.00 0.00 H new ATOM 102 N LEU A 7 -2.033 -8.004 -9.558 1.00 0.00 N ATOM 103 CA LEU A 7 -0.800 -8.511 -10.139 1.00 0.00 C ATOM 104 C LEU A 7 -0.195 -9.661 -9.345 1.00 0.00 C ATOM 105 O LEU A 7 -0.480 -9.856 -8.162 1.00 0.00 O ATOM 106 CB LEU A 7 0.236 -7.383 -10.180 1.00 0.00 C ATOM 107 CG LEU A 7 -0.157 -6.210 -11.081 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.729 -5.019 -10.711 1.00 0.00 C ATOM 109 CD2 LEU A 7 0.037 -6.561 -12.555 1.00 0.00 C ATOM 0 H LEU A 7 -1.897 -7.151 -9.016 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.051 -8.878 -11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.395 -7.013 -9.167 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.187 -7.789 -10.524 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.210 -5.972 -10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.472 -4.165 -11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.572 -4.760 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.775 -5.282 -10.867 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.250 -5.710 -13.173 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.084 -6.804 -12.736 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.584 -7.420 -12.809 1.00 0.00 H new ATOM 121 N THR A 8 0.717 -10.368 -10.012 1.00 0.00 N ATOM 122 CA THR A 8 1.538 -11.432 -9.473 1.00 0.00 C ATOM 123 C THR A 8 2.939 -11.240 -10.062 1.00 0.00 C ATOM 124 O THR A 8 3.102 -10.500 -11.034 1.00 0.00 O ATOM 125 CB THR A 8 0.949 -12.805 -9.826 1.00 0.00 C ATOM 126 OG1 THR A 8 0.964 -12.990 -11.228 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.485 -12.975 -9.315 1.00 0.00 C ATOM 0 H THR A 8 0.907 -10.197 -10.999 1.00 0.00 H new ATOM 0 HA THR A 8 1.578 -11.394 -8.384 1.00 0.00 H new ATOM 0 HB THR A 8 1.571 -13.554 -9.335 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.162 -13.928 -11.432 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.855 -13.963 -9.591 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.499 -12.872 -8.230 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.123 -12.211 -9.760 1.00 0.00 H new ATOM 135 N ASP A 9 3.958 -11.890 -9.498 1.00 0.00 N ATOM 136 CA ASP A 9 5.335 -11.754 -9.962 1.00 0.00 C ATOM 137 C ASP A 9 5.433 -12.136 -11.444 1.00 0.00 C ATOM 138 O ASP A 9 6.024 -11.419 -12.247 1.00 0.00 O ATOM 139 CB ASP A 9 6.263 -12.605 -9.078 1.00 0.00 C ATOM 140 CG ASP A 9 7.716 -12.128 -9.091 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.139 -11.569 -10.124 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.383 -12.333 -8.054 1.00 0.00 O ATOM 0 H ASP A 9 3.850 -12.525 -8.707 1.00 0.00 H new ATOM 0 HA ASP A 9 5.656 -10.716 -9.876 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.892 -12.589 -8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.225 -13.641 -9.415 1.00 0.00 H new ATOM 147 N ASP A 10 4.815 -13.263 -11.812 1.00 0.00 N ATOM 148 CA ASP A 10 4.808 -13.758 -13.183 1.00 0.00 C ATOM 149 C ASP A 10 4.130 -12.791 -14.158 1.00 0.00 C ATOM 150 O ASP A 10 4.598 -12.626 -15.282 1.00 0.00 O ATOM 151 CB ASP A 10 4.158 -15.146 -13.252 1.00 0.00 C ATOM 152 CG ASP A 10 2.682 -15.130 -12.877 1.00 0.00 C ATOM 153 OD1 ASP A 10 2.409 -15.193 -11.657 1.00 0.00 O ATOM 154 OD2 ASP A 10 1.851 -15.023 -13.801 1.00 0.00 O ATOM 0 H ASP A 10 4.304 -13.857 -11.159 1.00 0.00 H new ATOM 0 HA ASP A 10 5.849 -13.838 -13.496 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.267 -15.542 -14.262 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.690 -15.824 -12.584 1.00 0.00 H new ATOM 159 N SER A 11 3.036 -12.145 -13.745 1.00 0.00 N ATOM 160 CA SER A 11 2.311 -11.244 -14.634 1.00 0.00 C ATOM 161 C SER A 11 3.039 -9.903 -14.736 1.00 0.00 C ATOM 162 O SER A 11 3.060 -9.300 -15.807 1.00 0.00 O ATOM 163 CB SER A 11 0.865 -11.072 -14.151 1.00 0.00 C ATOM 164 OG SER A 11 0.811 -10.728 -12.781 1.00 0.00 O ATOM 0 H SER A 11 2.639 -12.230 -12.809 1.00 0.00 H new ATOM 0 HA SER A 11 2.275 -11.677 -15.634 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.374 -10.298 -14.741 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.313 -11.997 -14.316 1.00 0.00 H new ATOM 0 HG SER A 11 0.736 -11.543 -12.242 1.00 0.00 H new ATOM 170 N PHE A 12 3.648 -9.458 -13.630 1.00 0.00 N ATOM 171 CA PHE A 12 4.412 -8.224 -13.487 1.00 0.00 C ATOM 172 C PHE A 12 5.182 -7.818 -14.747 1.00 0.00 C ATOM 173 O PHE A 12 5.093 -6.679 -15.204 1.00 0.00 O ATOM 174 CB PHE A 12 5.396 -8.383 -12.323 1.00 0.00 C ATOM 175 CG PHE A 12 5.851 -7.069 -11.740 1.00 0.00 C ATOM 176 CD1 PHE A 12 6.970 -6.396 -12.259 1.00 0.00 C ATOM 177 CD2 PHE A 12 5.105 -6.497 -10.698 1.00 0.00 C ATOM 178 CE1 PHE A 12 7.345 -5.156 -11.718 1.00 0.00 C ATOM 179 CE2 PHE A 12 5.531 -5.304 -10.101 1.00 0.00 C ATOM 180 CZ PHE A 12 6.655 -4.633 -10.612 1.00 0.00 C ATOM 0 H PHE A 12 3.615 -9.988 -12.759 1.00 0.00 H new ATOM 0 HA PHE A 12 3.691 -7.429 -13.300 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.927 -8.977 -11.539 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.267 -8.941 -12.667 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.538 -6.830 -13.069 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.201 -6.978 -10.356 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.165 -4.604 -12.153 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.998 -4.902 -9.252 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.989 -3.714 -10.154 1.00 0.00 H new ATOM 190 N ASP A 13 5.957 -8.748 -15.306 1.00 0.00 N ATOM 191 CA ASP A 13 6.752 -8.483 -16.494 1.00 0.00 C ATOM 192 C ASP A 13 5.891 -7.950 -17.642 1.00 0.00 C ATOM 193 O ASP A 13 6.218 -6.944 -18.265 1.00 0.00 O ATOM 194 CB ASP A 13 7.495 -9.755 -16.909 1.00 0.00 C ATOM 195 CG ASP A 13 8.255 -9.544 -18.215 1.00 0.00 C ATOM 196 OD1 ASP A 13 9.246 -8.784 -18.179 1.00 0.00 O ATOM 197 OD2 ASP A 13 7.817 -10.136 -19.226 1.00 0.00 O ATOM 0 H ASP A 13 6.048 -9.698 -14.947 1.00 0.00 H new ATOM 0 HA ASP A 13 7.480 -7.707 -16.256 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.191 -10.047 -16.122 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.785 -10.573 -17.026 1.00 0.00 H new ATOM 202 N THR A 14 4.769 -8.612 -17.911 1.00 0.00 N ATOM 203 CA THR A 14 3.883 -8.190 -18.978 1.00 0.00 C ATOM 204 C THR A 14 3.071 -6.971 -18.556 1.00 0.00 C ATOM 205 O THR A 14 3.010 -5.979 -19.274 1.00 0.00 O ATOM 206 CB THR A 14 3.005 -9.374 -19.411 1.00 0.00 C ATOM 207 OG1 THR A 14 3.847 -10.358 -19.979 1.00 0.00 O ATOM 208 CG2 THR A 14 1.957 -8.983 -20.458 1.00 0.00 C ATOM 0 H THR A 14 4.457 -9.440 -17.403 1.00 0.00 H new ATOM 0 HA THR A 14 4.467 -7.879 -19.844 1.00 0.00 H new ATOM 0 HB THR A 14 2.475 -9.736 -18.530 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.308 -11.126 -20.262 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.366 -9.859 -20.726 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.302 -8.215 -20.047 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.457 -8.597 -21.346 1.00 0.00 H new ATOM 216 N ASP A 15 2.411 -7.059 -17.406 1.00 0.00 N ATOM 217 CA ASP A 15 1.490 -6.029 -16.966 1.00 0.00 C ATOM 218 C ASP A 15 2.164 -4.717 -16.574 1.00 0.00 C ATOM 219 O ASP A 15 1.684 -3.659 -16.965 1.00 0.00 O ATOM 220 CB ASP A 15 0.632 -6.558 -15.812 1.00 0.00 C ATOM 221 CG ASP A 15 -0.346 -7.646 -16.247 1.00 0.00 C ATOM 222 OD1 ASP A 15 0.139 -8.702 -16.709 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.563 -7.407 -16.098 1.00 0.00 O ATOM 0 H ASP A 15 2.502 -7.843 -16.760 1.00 0.00 H new ATOM 0 HA ASP A 15 0.862 -5.791 -17.825 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.284 -6.953 -15.033 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.075 -5.731 -15.372 1.00 0.00 H new ATOM 228 N VAL A 16 3.229 -4.774 -15.771 1.00 0.00 N ATOM 229 CA VAL A 16 3.907 -3.590 -15.253 1.00 0.00 C ATOM 230 C VAL A 16 5.091 -3.188 -16.121 1.00 0.00 C ATOM 231 O VAL A 16 5.219 -2.016 -16.467 1.00 0.00 O ATOM 232 CB VAL A 16 4.325 -3.798 -13.787 1.00 0.00 C ATOM 233 CG1 VAL A 16 5.014 -2.547 -13.227 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.095 -4.090 -12.924 1.00 0.00 C ATOM 0 H VAL A 16 3.646 -5.652 -15.461 1.00 0.00 H new ATOM 0 HA VAL A 16 3.198 -2.763 -15.287 1.00 0.00 H new ATOM 0 HB VAL A 16 5.018 -4.639 -13.760 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.299 -2.722 -12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.905 -2.328 -13.816 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.329 -1.701 -13.277 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.403 -4.235 -11.889 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.402 -3.250 -12.982 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.602 -4.992 -13.286 1.00 0.00 H new ATOM 244 N LEU A 17 5.986 -4.121 -16.453 1.00 0.00 N ATOM 245 CA LEU A 17 7.163 -3.740 -17.230 1.00 0.00 C ATOM 246 C LEU A 17 6.791 -3.462 -18.687 1.00 0.00 C ATOM 247 O LEU A 17 7.121 -2.397 -19.200 1.00 0.00 O ATOM 248 CB LEU A 17 8.334 -4.707 -17.013 1.00 0.00 C ATOM 249 CG LEU A 17 8.693 -4.833 -15.519 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.875 -5.790 -15.338 1.00 0.00 C ATOM 251 CD2 LEU A 17 9.053 -3.476 -14.892 1.00 0.00 C ATOM 0 H LEU A 17 5.923 -5.109 -16.207 1.00 0.00 H new ATOM 0 HA LEU A 17 7.545 -2.790 -16.856 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.075 -5.689 -17.410 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.204 -4.357 -17.569 1.00 0.00 H new ATOM 0 HG LEU A 17 7.809 -5.221 -15.012 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.119 -5.871 -14.279 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.609 -6.774 -15.725 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.739 -5.408 -15.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.298 -3.615 -13.839 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.912 -3.051 -15.412 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.204 -2.798 -14.980 1.00 0.00 H new ATOM 263 N LYS A 18 6.038 -4.348 -19.347 1.00 0.00 N ATOM 264 CA LYS A 18 5.566 -4.110 -20.713 1.00 0.00 C ATOM 265 C LYS A 18 4.189 -3.430 -20.662 1.00 0.00 C ATOM 266 O LYS A 18 3.276 -3.771 -21.414 1.00 0.00 O ATOM 267 CB LYS A 18 5.575 -5.418 -21.515 1.00 0.00 C ATOM 268 CG LYS A 18 6.996 -5.991 -21.564 1.00 0.00 C ATOM 269 CD LYS A 18 7.141 -7.259 -22.419 1.00 0.00 C ATOM 270 CE LYS A 18 6.473 -8.501 -21.817 1.00 0.00 C ATOM 271 NZ LYS A 18 5.073 -8.653 -22.256 1.00 0.00 N ATOM 0 H LYS A 18 5.742 -5.241 -18.954 1.00 0.00 H new ATOM 0 HA LYS A 18 6.239 -3.432 -21.238 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.898 -6.140 -21.058 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.212 -5.237 -22.527 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.669 -5.227 -21.952 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.320 -6.214 -20.547 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.713 -7.071 -23.404 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.201 -7.465 -22.566 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.039 -9.388 -22.101 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.505 -8.437 -20.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.541 -9.190 -21.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.643 -7.714 -22.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.047 -9.163 -23.162 1.00 0.00 H new ATOM 285 N ALA A 19 4.059 -2.464 -19.750 1.00 0.00 N ATOM 286 CA ALA A 19 2.843 -1.710 -19.489 1.00 0.00 C ATOM 287 C ALA A 19 2.438 -0.781 -20.635 1.00 0.00 C ATOM 288 O ALA A 19 3.142 -0.622 -21.632 1.00 0.00 O ATOM 289 CB ALA A 19 3.052 -0.892 -18.209 1.00 0.00 C ATOM 0 H ALA A 19 4.834 -2.178 -19.151 1.00 0.00 H new ATOM 0 HA ALA A 19 2.028 -2.426 -19.381 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.151 -0.317 -17.993 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.261 -1.565 -17.377 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.892 -0.211 -18.345 1.00 0.00 H new ATOM 295 N ASP A 20 1.288 -0.134 -20.422 1.00 0.00 N ATOM 296 CA ASP A 20 0.682 0.871 -21.273 1.00 0.00 C ATOM 297 C ASP A 20 0.224 2.004 -20.353 1.00 0.00 C ATOM 298 O ASP A 20 -0.799 1.878 -19.685 1.00 0.00 O ATOM 299 CB ASP A 20 -0.501 0.260 -22.035 1.00 0.00 C ATOM 300 CG ASP A 20 -1.284 1.309 -22.822 1.00 0.00 C ATOM 301 OD1 ASP A 20 -0.647 2.289 -23.268 1.00 0.00 O ATOM 302 OD2 ASP A 20 -2.507 1.108 -22.970 1.00 0.00 O ATOM 0 H ASP A 20 0.725 -0.318 -19.592 1.00 0.00 H new ATOM 0 HA ASP A 20 1.384 1.248 -22.017 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.134 -0.506 -22.719 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.168 -0.236 -21.330 1.00 0.00 H new ATOM 307 N GLY A 21 0.982 3.100 -20.298 1.00 0.00 N ATOM 308 CA GLY A 21 0.650 4.258 -19.479 1.00 0.00 C ATOM 309 C GLY A 21 1.017 4.097 -17.999 1.00 0.00 C ATOM 310 O GLY A 21 1.852 3.273 -17.628 1.00 0.00 O ATOM 0 H GLY A 21 1.849 3.206 -20.825 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.164 5.132 -19.878 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.419 4.453 -19.559 1.00 0.00 H new ATOM 314 N ALA A 22 0.414 4.941 -17.153 1.00 0.00 N ATOM 315 CA ALA A 22 0.651 5.012 -15.718 1.00 0.00 C ATOM 316 C ALA A 22 -0.069 3.902 -14.949 1.00 0.00 C ATOM 317 O ALA A 22 -1.303 3.852 -14.941 1.00 0.00 O ATOM 318 CB ALA A 22 0.209 6.393 -15.221 1.00 0.00 C ATOM 0 H ALA A 22 -0.280 5.618 -17.469 1.00 0.00 H new ATOM 0 HA ALA A 22 1.715 4.865 -15.535 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.379 6.465 -14.147 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.785 7.165 -15.732 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.852 6.533 -15.430 1.00 0.00 H new ATOM 324 N ILE A 23 0.704 3.042 -14.277 1.00 0.00 N ATOM 325 CA ILE A 23 0.204 1.965 -13.441 1.00 0.00 C ATOM 326 C ILE A 23 0.635 2.215 -11.993 1.00 0.00 C ATOM 327 O ILE A 23 1.832 2.271 -11.709 1.00 0.00 O ATOM 328 CB ILE A 23 0.682 0.595 -13.958 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.432 0.470 -15.473 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.011 -0.517 -13.154 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.398 -0.975 -15.972 1.00 0.00 C ATOM 0 H ILE A 23 1.723 3.084 -14.306 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.885 1.947 -13.481 1.00 0.00 H new ATOM 0 HB ILE A 23 1.758 0.496 -13.813 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.515 0.952 -15.717 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.213 1.012 -16.007 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.323 -1.490 -13.515 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.243 -0.415 -12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.091 -0.436 -13.277 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.218 -0.985 -17.047 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.353 -1.456 -15.760 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.401 -1.516 -15.465 1.00 0.00 H new ATOM 343 N LEU A 24 -0.322 2.332 -11.070 1.00 0.00 N ATOM 344 CA LEU A 24 -0.041 2.493 -9.648 1.00 0.00 C ATOM 345 C LEU A 24 -0.024 1.095 -9.056 1.00 0.00 C ATOM 346 O LEU A 24 -1.075 0.475 -8.938 1.00 0.00 O ATOM 347 CB LEU A 24 -1.097 3.384 -8.988 1.00 0.00 C ATOM 348 CG LEU A 24 -0.878 3.691 -7.495 1.00 0.00 C ATOM 349 CD1 LEU A 24 -1.021 2.500 -6.543 1.00 0.00 C ATOM 350 CD2 LEU A 24 0.447 4.418 -7.244 1.00 0.00 C ATOM 0 H LEU A 24 -1.317 2.317 -11.292 1.00 0.00 H new ATOM 0 HA LEU A 24 0.916 2.987 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.139 4.328 -9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.070 2.907 -9.102 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.708 4.354 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.846 2.830 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.027 2.087 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.292 1.734 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.558 4.614 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.274 3.796 -7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.453 5.362 -7.789 1.00 0.00 H new ATOM 362 N VAL A 25 1.154 0.597 -8.696 1.00 0.00 N ATOM 363 CA VAL A 25 1.337 -0.739 -8.156 1.00 0.00 C ATOM 364 C VAL A 25 1.424 -0.678 -6.634 1.00 0.00 C ATOM 365 O VAL A 25 2.445 -0.263 -6.090 1.00 0.00 O ATOM 366 CB VAL A 25 2.593 -1.384 -8.762 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.719 -2.830 -8.273 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.537 -1.392 -10.293 1.00 0.00 C ATOM 0 H VAL A 25 2.024 1.124 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 25 0.480 -1.358 -8.421 1.00 0.00 H new ATOM 0 HB VAL A 25 3.453 -0.794 -8.444 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.611 -3.284 -8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.797 -2.841 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.839 -3.396 -8.580 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.441 -1.855 -10.688 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.666 -1.958 -10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.464 -0.368 -10.660 1.00 0.00 H new ATOM 378 N ASP A 26 0.366 -1.118 -5.953 1.00 0.00 N ATOM 379 CA ASP A 26 0.317 -1.188 -4.503 1.00 0.00 C ATOM 380 C ASP A 26 0.797 -2.567 -4.060 1.00 0.00 C ATOM 381 O ASP A 26 0.040 -3.528 -4.166 1.00 0.00 O ATOM 382 CB ASP A 26 -1.114 -0.935 -4.006 1.00 0.00 C ATOM 383 CG ASP A 26 -1.269 -1.356 -2.549 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.261 -1.970 -2.172 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.258 -1.053 -1.695 1.00 0.00 O ATOM 0 H ASP A 26 -0.490 -1.439 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 26 0.964 -0.422 -4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.357 0.122 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.821 -1.488 -4.625 1.00 0.00 H new ATOM 391 N PHE A 27 2.013 -2.675 -3.530 1.00 0.00 N ATOM 392 CA PHE A 27 2.521 -3.922 -2.975 1.00 0.00 C ATOM 393 C PHE A 27 1.900 -4.033 -1.580 1.00 0.00 C ATOM 394 O PHE A 27 2.027 -3.083 -0.805 1.00 0.00 O ATOM 395 CB PHE A 27 4.054 -3.912 -2.900 1.00 0.00 C ATOM 396 CG PHE A 27 4.793 -3.980 -4.229 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.692 -2.923 -5.155 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.676 -5.046 -4.496 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.423 -2.960 -6.354 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.441 -5.055 -5.676 1.00 0.00 C ATOM 401 CZ PHE A 27 6.305 -4.020 -6.613 1.00 0.00 C ATOM 0 H PHE A 27 2.672 -1.899 -3.474 1.00 0.00 H new ATOM 0 HA PHE A 27 2.257 -4.775 -3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.366 -3.006 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.372 -4.756 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.050 -2.081 -4.942 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.765 -5.859 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.306 -2.169 -7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.135 -5.861 -5.861 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.876 -4.039 -7.529 1.00 0.00 H new ATOM 411 N TRP A 28 1.212 -5.139 -1.270 1.00 0.00 N ATOM 412 CA TRP A 28 0.508 -5.331 -0.004 1.00 0.00 C ATOM 413 C TRP A 28 0.603 -6.767 0.513 1.00 0.00 C ATOM 414 O TRP A 28 0.996 -7.674 -0.219 1.00 0.00 O ATOM 415 CB TRP A 28 -0.975 -4.986 -0.200 1.00 0.00 C ATOM 416 CG TRP A 28 -1.765 -5.908 -1.080 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.789 -5.882 -2.426 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.653 -6.998 -0.693 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.587 -6.899 -2.904 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.163 -7.610 -1.875 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.097 -7.519 0.540 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.054 -8.693 -1.838 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -3.979 -8.615 0.589 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.451 -9.209 -0.594 1.00 0.00 C ATOM 0 H TRP A 28 1.130 -5.935 -1.903 1.00 0.00 H new ATOM 0 HA TRP A 28 0.980 -4.679 0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.451 -4.958 0.780 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.040 -3.980 -0.615 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.260 -5.169 -3.041 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.732 -7.099 -3.894 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.755 -7.070 1.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.430 -9.124 -2.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.296 -9.003 1.546 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.116 -10.059 -0.546 1.00 0.00 H new ATOM 435 N ALA A 29 0.174 -6.975 1.765 1.00 0.00 N ATOM 436 CA ALA A 29 0.072 -8.278 2.406 1.00 0.00 C ATOM 437 C ALA A 29 -1.121 -8.232 3.357 1.00 0.00 C ATOM 438 O ALA A 29 -1.312 -7.229 4.039 1.00 0.00 O ATOM 439 CB ALA A 29 1.340 -8.620 3.179 1.00 0.00 C ATOM 0 H ALA A 29 -0.120 -6.211 2.373 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.061 -9.049 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.229 -9.599 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.189 -8.637 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.510 -7.869 3.950 1.00 0.00 H new ATOM 445 N GLU A 30 -1.924 -9.299 3.389 1.00 0.00 N ATOM 446 CA GLU A 30 -3.146 -9.368 4.189 1.00 0.00 C ATOM 447 C GLU A 30 -2.921 -8.968 5.650 1.00 0.00 C ATOM 448 O GLU A 30 -3.677 -8.174 6.206 1.00 0.00 O ATOM 449 CB GLU A 30 -3.751 -10.773 4.064 1.00 0.00 C ATOM 450 CG GLU A 30 -5.152 -10.847 4.685 1.00 0.00 C ATOM 451 CD GLU A 30 -5.764 -12.230 4.489 1.00 0.00 C ATOM 452 OE1 GLU A 30 -5.348 -13.141 5.235 1.00 0.00 O ATOM 453 OE2 GLU A 30 -6.623 -12.349 3.590 1.00 0.00 O ATOM 0 H GLU A 30 -1.740 -10.148 2.854 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.854 -8.638 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.804 -11.054 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.098 -11.495 4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.095 -10.618 5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.795 -10.093 4.231 1.00 0.00 H new ATOM 460 N TRP A 31 -1.888 -9.534 6.274 1.00 0.00 N ATOM 461 CA TRP A 31 -1.562 -9.273 7.670 1.00 0.00 C ATOM 462 C TRP A 31 -1.200 -7.806 7.924 1.00 0.00 C ATOM 463 O TRP A 31 -1.382 -7.314 9.038 1.00 0.00 O ATOM 464 CB TRP A 31 -0.441 -10.217 8.120 1.00 0.00 C ATOM 465 CG TRP A 31 0.771 -10.256 7.241 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.996 -11.164 6.266 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.921 -9.352 7.214 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.179 -10.876 5.626 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.796 -9.768 6.167 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.307 -8.216 7.958 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.984 -9.085 5.864 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.505 -7.533 7.674 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.344 -7.967 6.631 1.00 0.00 C ATOM 0 H TRP A 31 -1.252 -10.190 5.820 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.453 -9.468 8.267 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.129 -9.928 9.124 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.848 -11.226 8.191 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.345 -11.991 6.025 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.554 -11.416 4.846 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.673 -7.865 8.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.613 -9.416 5.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.782 -6.670 8.261 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.263 -7.440 6.421 1.00 0.00 H new ATOM 484 N CYS A 32 -0.705 -7.080 6.916 1.00 0.00 N ATOM 485 CA CYS A 32 -0.349 -5.682 7.103 1.00 0.00 C ATOM 486 C CYS A 32 -1.613 -4.829 7.043 1.00 0.00 C ATOM 487 O CYS A 32 -1.910 -4.214 6.019 1.00 0.00 O ATOM 488 CB CYS A 32 0.714 -5.234 6.098 1.00 0.00 C ATOM 489 SG CYS A 32 1.068 -3.485 6.417 1.00 0.00 S ATOM 0 H CYS A 32 -0.545 -7.438 5.974 1.00 0.00 H new ATOM 0 HA CYS A 32 0.102 -5.552 8.087 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.618 -5.833 6.205 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.358 -5.373 5.077 1.00 0.00 H new ATOM 0 HG CYS A 32 2.003 -3.077 5.611 1.00 0.00 H new ATOM 495 N GLY A 33 -2.354 -4.807 8.158 1.00 0.00 N ATOM 496 CA GLY A 33 -3.598 -4.070 8.377 1.00 0.00 C ATOM 497 C GLY A 33 -3.764 -2.814 7.509 1.00 0.00 C ATOM 498 O GLY A 33 -4.715 -2.749 6.733 1.00 0.00 O ATOM 0 H GLY A 33 -2.080 -5.340 8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.438 -4.739 8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.652 -3.779 9.426 1.00 0.00 H new ATOM 502 N PRO A 34 -2.864 -1.820 7.610 1.00 0.00 N ATOM 503 CA PRO A 34 -2.896 -0.597 6.814 1.00 0.00 C ATOM 504 C PRO A 34 -3.214 -0.811 5.325 1.00 0.00 C ATOM 505 O PRO A 34 -3.910 0.000 4.717 1.00 0.00 O ATOM 506 CB PRO A 34 -1.530 0.055 7.027 1.00 0.00 C ATOM 507 CG PRO A 34 -1.184 -0.364 8.455 1.00 0.00 C ATOM 508 CD PRO A 34 -1.730 -1.791 8.523 1.00 0.00 C ATOM 0 HA PRO A 34 -3.717 0.041 7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.793 -0.303 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.577 1.139 6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.110 -0.331 8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.654 0.286 9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.971 -2.516 8.228 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.037 -2.045 9.537 1.00 0.00 H new ATOM 516 N CYS A 35 -2.752 -1.916 4.736 1.00 0.00 N ATOM 517 CA CYS A 35 -3.055 -2.260 3.350 1.00 0.00 C ATOM 518 C CYS A 35 -4.569 -2.335 3.153 1.00 0.00 C ATOM 519 O CYS A 35 -5.123 -1.758 2.219 1.00 0.00 O ATOM 520 CB CYS A 35 -2.454 -3.615 2.960 1.00 0.00 C ATOM 521 SG CYS A 35 -0.648 -3.580 3.028 1.00 0.00 S ATOM 0 H CYS A 35 -2.157 -2.596 5.209 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.620 -1.484 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.830 -4.388 3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.777 -3.882 1.954 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.262 -3.483 4.266 1.00 0.00 H new ATOM 527 N LYS A 36 -5.245 -3.029 4.070 1.00 0.00 N ATOM 528 CA LYS A 36 -6.689 -3.189 4.057 1.00 0.00 C ATOM 529 C LYS A 36 -7.362 -1.835 4.291 1.00 0.00 C ATOM 530 O LYS A 36 -8.443 -1.588 3.764 1.00 0.00 O ATOM 531 CB LYS A 36 -7.125 -4.231 5.095 1.00 0.00 C ATOM 532 CG LYS A 36 -6.434 -5.587 4.871 1.00 0.00 C ATOM 533 CD LYS A 36 -6.791 -6.615 5.955 1.00 0.00 C ATOM 534 CE LYS A 36 -8.273 -7.006 5.937 1.00 0.00 C ATOM 535 NZ LYS A 36 -8.546 -8.102 6.884 1.00 0.00 N ATOM 0 H LYS A 36 -4.792 -3.501 4.853 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.003 -3.557 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.893 -3.866 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.206 -4.362 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.719 -5.979 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.354 -5.442 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.182 -7.509 5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.539 -6.207 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.884 -6.140 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.559 -7.312 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.556 -8.346 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.980 -8.935 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.294 -7.800 7.847 1.00 0.00 H new ATOM 549 N MET A 37 -6.721 -0.944 5.056 1.00 0.00 N ATOM 550 CA MET A 37 -7.249 0.391 5.297 1.00 0.00 C ATOM 551 C MET A 37 -7.202 1.213 4.004 1.00 0.00 C ATOM 552 O MET A 37 -8.178 1.882 3.673 1.00 0.00 O ATOM 553 CB MET A 37 -6.517 1.084 6.454 1.00 0.00 C ATOM 554 CG MET A 37 -6.651 0.299 7.767 1.00 0.00 C ATOM 555 SD MET A 37 -5.701 0.934 9.174 1.00 0.00 S ATOM 556 CE MET A 37 -6.409 2.587 9.358 1.00 0.00 C ATOM 0 H MET A 37 -5.831 -1.131 5.518 1.00 0.00 H new ATOM 0 HA MET A 37 -8.292 0.306 5.603 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.462 1.194 6.203 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.919 2.088 6.589 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.704 0.275 8.047 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.346 -0.731 7.584 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.027 3.047 10.270 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.132 3.199 8.499 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.495 2.513 9.416 1.00 0.00 H new ATOM 566 N ILE A 38 -6.087 1.173 3.260 1.00 0.00 N ATOM 567 CA ILE A 38 -6.002 1.915 2.001 1.00 0.00 C ATOM 568 C ILE A 38 -6.792 1.240 0.872 1.00 0.00 C ATOM 569 O ILE A 38 -7.226 1.927 -0.048 1.00 0.00 O ATOM 570 CB ILE A 38 -4.558 2.248 1.582 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.742 1.000 1.225 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.849 3.089 2.652 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.490 1.353 0.422 1.00 0.00 C ATOM 0 H ILE A 38 -5.249 0.645 3.504 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.481 2.875 2.195 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.628 2.844 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.454 0.480 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.362 0.313 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.832 3.308 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.392 4.023 2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.819 2.534 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.939 0.442 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.780 1.849 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.858 2.020 1.008 1.00 0.00 H new ATOM 585 N ALA A 39 -6.972 -0.088 0.908 1.00 0.00 N ATOM 586 CA ALA A 39 -7.704 -0.847 -0.109 1.00 0.00 C ATOM 587 C ALA A 39 -8.953 -0.129 -0.667 1.00 0.00 C ATOM 588 O ALA A 39 -9.001 0.102 -1.876 1.00 0.00 O ATOM 589 CB ALA A 39 -8.014 -2.262 0.390 1.00 0.00 C ATOM 0 H ALA A 39 -6.605 -0.673 1.659 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.037 -0.924 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.558 -2.808 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.082 -2.781 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.623 -2.204 1.292 1.00 0.00 H new ATOM 595 N PRO A 40 -9.954 0.247 0.153 1.00 0.00 N ATOM 596 CA PRO A 40 -11.128 0.966 -0.326 1.00 0.00 C ATOM 597 C PRO A 40 -10.742 2.283 -1.003 1.00 0.00 C ATOM 598 O PRO A 40 -11.312 2.634 -2.033 1.00 0.00 O ATOM 599 CB PRO A 40 -12.027 1.193 0.893 1.00 0.00 C ATOM 600 CG PRO A 40 -11.066 1.082 2.074 1.00 0.00 C ATOM 601 CD PRO A 40 -10.059 0.045 1.588 1.00 0.00 C ATOM 0 HA PRO A 40 -11.654 0.390 -1.088 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.509 2.170 0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.820 0.448 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.589 2.036 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.575 0.758 2.982 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.093 0.178 2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.395 -0.966 1.818 1.00 0.00 H new ATOM 609 N ILE A 41 -9.750 2.999 -0.464 1.00 0.00 N ATOM 610 CA ILE A 41 -9.281 4.242 -1.059 1.00 0.00 C ATOM 611 C ILE A 41 -8.792 3.935 -2.476 1.00 0.00 C ATOM 612 O ILE A 41 -9.221 4.572 -3.433 1.00 0.00 O ATOM 613 CB ILE A 41 -8.190 4.927 -0.209 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.545 4.942 1.290 1.00 0.00 C ATOM 615 CG2 ILE A 41 -8.014 6.364 -0.718 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.476 5.651 2.126 1.00 0.00 C ATOM 0 H ILE A 41 -9.258 2.732 0.388 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.104 4.956 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.264 4.361 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.504 5.440 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.663 3.918 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.246 6.867 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.714 6.345 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.957 6.903 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.767 5.638 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.522 5.137 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.377 6.683 1.790 1.00 0.00 H new ATOM 628 N LEU A 42 -7.922 2.929 -2.621 1.00 0.00 N ATOM 629 CA LEU A 42 -7.428 2.499 -3.923 1.00 0.00 C ATOM 630 C LEU A 42 -8.593 2.127 -4.842 1.00 0.00 C ATOM 631 O LEU A 42 -8.583 2.506 -6.009 1.00 0.00 O ATOM 632 CB LEU A 42 -6.424 1.347 -3.776 1.00 0.00 C ATOM 633 CG LEU A 42 -5.048 1.804 -3.261 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.269 0.581 -2.768 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.223 2.497 -4.354 1.00 0.00 C ATOM 0 H LEU A 42 -7.545 2.395 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.896 3.331 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.832 0.603 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.299 0.857 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.217 2.519 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.292 0.896 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.821 0.099 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.138 -0.123 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.260 2.802 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.063 1.806 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.759 3.375 -4.713 1.00 0.00 H new ATOM 647 N ASP A 43 -9.605 1.417 -4.338 1.00 0.00 N ATOM 648 CA ASP A 43 -10.778 1.057 -5.137 1.00 0.00 C ATOM 649 C ASP A 43 -11.480 2.324 -5.653 1.00 0.00 C ATOM 650 O ASP A 43 -11.785 2.447 -6.840 1.00 0.00 O ATOM 651 CB ASP A 43 -11.742 0.179 -4.323 1.00 0.00 C ATOM 652 CG ASP A 43 -11.128 -1.137 -3.846 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.305 -1.703 -4.595 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.507 -1.570 -2.736 1.00 0.00 O ATOM 0 H ASP A 43 -9.635 1.079 -3.376 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.449 0.476 -5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.087 0.743 -3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.620 -0.040 -4.931 1.00 0.00 H new ATOM 659 N GLU A 44 -11.726 3.287 -4.763 1.00 0.00 N ATOM 660 CA GLU A 44 -12.367 4.549 -5.121 1.00 0.00 C ATOM 661 C GLU A 44 -11.538 5.260 -6.197 1.00 0.00 C ATOM 662 O GLU A 44 -12.048 5.624 -7.255 1.00 0.00 O ATOM 663 CB GLU A 44 -12.521 5.425 -3.872 1.00 0.00 C ATOM 664 CG GLU A 44 -13.503 4.830 -2.851 1.00 0.00 C ATOM 665 CD GLU A 44 -13.252 5.368 -1.444 1.00 0.00 C ATOM 666 OE1 GLU A 44 -12.954 6.579 -1.340 1.00 0.00 O ATOM 667 OE2 GLU A 44 -13.358 4.562 -0.495 1.00 0.00 O ATOM 0 H GLU A 44 -11.486 3.212 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.361 4.356 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.547 5.554 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.866 6.416 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.525 5.061 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.410 3.744 -2.847 1.00 0.00 H new ATOM 674 N ILE A 45 -10.246 5.430 -5.924 1.00 0.00 N ATOM 675 CA ILE A 45 -9.285 6.061 -6.818 1.00 0.00 C ATOM 676 C ILE A 45 -9.304 5.372 -8.185 1.00 0.00 C ATOM 677 O ILE A 45 -9.348 6.043 -9.213 1.00 0.00 O ATOM 678 CB ILE A 45 -7.903 6.030 -6.146 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.860 6.954 -4.913 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.742 6.339 -7.098 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.726 8.447 -5.217 1.00 0.00 C ATOM 0 H ILE A 45 -9.829 5.122 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.547 7.103 -7.000 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.760 4.999 -5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.769 6.799 -4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.023 6.652 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.801 6.298 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.726 5.604 -7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.873 7.336 -7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.705 9.008 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.802 8.625 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.575 8.774 -5.817 1.00 0.00 H new ATOM 693 N ALA A 46 -9.286 4.036 -8.205 1.00 0.00 N ATOM 694 CA ALA A 46 -9.324 3.253 -9.432 1.00 0.00 C ATOM 695 C ALA A 46 -10.511 3.676 -10.289 1.00 0.00 C ATOM 696 O ALA A 46 -10.369 3.879 -11.493 1.00 0.00 O ATOM 697 CB ALA A 46 -9.384 1.761 -9.107 1.00 0.00 C ATOM 0 H ALA A 46 -9.244 3.467 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.412 3.438 -10.000 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.412 1.188 -10.034 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.502 1.478 -8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.281 1.551 -8.524 1.00 0.00 H new ATOM 703 N ASP A 47 -11.678 3.841 -9.661 1.00 0.00 N ATOM 704 CA ASP A 47 -12.851 4.310 -10.376 1.00 0.00 C ATOM 705 C ASP A 47 -12.638 5.752 -10.840 1.00 0.00 C ATOM 706 O ASP A 47 -12.724 6.029 -12.030 1.00 0.00 O ATOM 707 CB ASP A 47 -14.104 4.173 -9.506 1.00 0.00 C ATOM 708 CG ASP A 47 -15.337 4.632 -10.273 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.724 3.897 -11.208 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.867 5.706 -9.913 1.00 0.00 O ATOM 0 H ASP A 47 -11.828 3.657 -8.669 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.002 3.691 -11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.227 3.135 -9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.991 4.766 -8.599 1.00 0.00 H new ATOM 715 N GLU A 48 -12.347 6.667 -9.909 1.00 0.00 N ATOM 716 CA GLU A 48 -12.144 8.087 -10.195 1.00 0.00 C ATOM 717 C GLU A 48 -11.240 8.315 -11.412 1.00 0.00 C ATOM 718 O GLU A 48 -11.583 9.082 -12.313 1.00 0.00 O ATOM 719 CB GLU A 48 -11.545 8.783 -8.968 1.00 0.00 C ATOM 720 CG GLU A 48 -12.517 8.864 -7.783 1.00 0.00 C ATOM 721 CD GLU A 48 -11.787 9.238 -6.496 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.082 10.271 -6.518 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.938 8.481 -5.513 1.00 0.00 O ATOM 0 H GLU A 48 -12.245 6.436 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.119 8.513 -10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.648 8.248 -8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.236 9.791 -9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.291 9.603 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.019 7.905 -7.654 1.00 0.00 H new ATOM 730 N TYR A 49 -10.074 7.662 -11.423 1.00 0.00 N ATOM 731 CA TYR A 49 -9.082 7.800 -12.479 1.00 0.00 C ATOM 732 C TYR A 49 -9.205 6.705 -13.545 1.00 0.00 C ATOM 733 O TYR A 49 -8.217 6.407 -14.221 1.00 0.00 O ATOM 734 CB TYR A 49 -7.673 7.829 -11.870 1.00 0.00 C ATOM 735 CG TYR A 49 -7.350 9.041 -11.016 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.656 9.030 -9.645 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.615 10.114 -11.555 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.160 10.037 -8.804 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.137 11.136 -10.713 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.376 11.074 -9.331 1.00 0.00 C ATOM 741 OH TYR A 49 -5.838 12.004 -8.490 1.00 0.00 O ATOM 0 H TYR A 49 -9.794 7.015 -10.686 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.268 8.745 -12.990 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.541 6.934 -11.262 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.946 7.774 -12.680 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.275 8.244 -9.237 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.418 10.153 -12.616 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.382 10.014 -7.747 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.587 11.967 -11.130 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.321 12.655 -9.009 1.00 0.00 H new ATOM 751 N GLN A 50 -10.392 6.117 -13.746 1.00 0.00 N ATOM 752 CA GLN A 50 -10.589 5.126 -14.794 1.00 0.00 C ATOM 753 C GLN A 50 -10.063 5.665 -16.128 1.00 0.00 C ATOM 754 O GLN A 50 -10.360 6.803 -16.492 1.00 0.00 O ATOM 755 CB GLN A 50 -12.066 4.701 -14.886 1.00 0.00 C ATOM 756 CG GLN A 50 -13.065 5.689 -15.534 1.00 0.00 C ATOM 757 CD GLN A 50 -13.287 6.982 -14.747 1.00 0.00 C ATOM 758 OE1 GLN A 50 -14.340 7.177 -14.150 1.00 0.00 O ATOM 759 NE2 GLN A 50 -12.324 7.898 -14.794 1.00 0.00 N ATOM 0 H GLN A 50 -11.226 6.315 -13.193 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.020 4.230 -14.545 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.111 3.766 -15.444 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.416 4.486 -13.876 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.708 5.944 -16.532 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.024 5.186 -15.658 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.460 7.704 -15.300 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.450 8.795 -14.324 1.00 0.00 H new ATOM 768 N GLY A 51 -9.241 4.883 -16.833 1.00 0.00 N ATOM 769 CA GLY A 51 -8.656 5.289 -18.104 1.00 0.00 C ATOM 770 C GLY A 51 -7.490 6.276 -17.972 1.00 0.00 C ATOM 771 O GLY A 51 -6.734 6.439 -18.925 1.00 0.00 O ATOM 0 H GLY A 51 -8.964 3.948 -16.533 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.308 4.401 -18.631 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.433 5.742 -18.721 1.00 0.00 H new ATOM 775 N LYS A 52 -7.323 6.928 -16.815 1.00 0.00 N ATOM 776 CA LYS A 52 -6.261 7.894 -16.570 1.00 0.00 C ATOM 777 C LYS A 52 -5.119 7.238 -15.794 1.00 0.00 C ATOM 778 O LYS A 52 -3.952 7.521 -16.060 1.00 0.00 O ATOM 779 CB LYS A 52 -6.812 9.094 -15.787 1.00 0.00 C ATOM 780 CG LYS A 52 -7.968 9.786 -16.524 1.00 0.00 C ATOM 781 CD LYS A 52 -8.551 10.955 -15.715 1.00 0.00 C ATOM 782 CE LYS A 52 -7.542 12.071 -15.400 1.00 0.00 C ATOM 783 NZ LYS A 52 -6.891 12.590 -16.615 1.00 0.00 N ATOM 0 H LYS A 52 -7.937 6.792 -16.012 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.876 8.244 -17.528 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.156 8.760 -14.808 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.011 9.813 -15.615 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.615 10.153 -17.488 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.754 9.059 -16.728 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.387 11.383 -16.268 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.952 10.569 -14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.052 12.886 -14.887 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.783 11.690 -14.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.283 13.396 -16.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.313 11.841 -17.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.617 12.900 -17.292 1.00 0.00 H new ATOM 797 N LEU A 53 -5.449 6.372 -14.830 1.00 0.00 N ATOM 798 CA LEU A 53 -4.476 5.681 -13.998 1.00 0.00 C ATOM 799 C LEU A 53 -4.909 4.230 -13.841 1.00 0.00 C ATOM 800 O LEU A 53 -6.026 3.964 -13.405 1.00 0.00 O ATOM 801 CB LEU A 53 -4.422 6.360 -12.626 1.00 0.00 C ATOM 802 CG LEU A 53 -3.395 5.748 -11.665 1.00 0.00 C ATOM 803 CD1 LEU A 53 -1.963 6.126 -12.062 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.701 6.258 -10.257 1.00 0.00 C ATOM 0 H LEU A 53 -6.415 6.132 -14.608 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.488 5.719 -14.457 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.190 7.416 -12.764 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.409 6.307 -12.167 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.466 4.661 -11.705 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.260 5.676 -11.361 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.756 5.761 -13.068 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.854 7.210 -12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.983 5.836 -9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.630 7.346 -10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.709 5.956 -9.972 1.00 0.00 H new ATOM 816 N THR A 54 -4.018 3.289 -14.153 1.00 0.00 N ATOM 817 CA THR A 54 -4.305 1.880 -13.961 1.00 0.00 C ATOM 818 C THR A 54 -3.916 1.533 -12.524 1.00 0.00 C ATOM 819 O THR A 54 -2.736 1.371 -12.221 1.00 0.00 O ATOM 820 CB THR A 54 -3.530 1.058 -14.998 1.00 0.00 C ATOM 821 OG1 THR A 54 -3.893 1.485 -16.295 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.802 -0.443 -14.881 1.00 0.00 C ATOM 0 H THR A 54 -3.094 3.483 -14.539 1.00 0.00 H new ATOM 0 HA THR A 54 -5.361 1.650 -14.106 1.00 0.00 H new ATOM 0 HB THR A 54 -2.468 1.219 -14.811 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.399 0.963 -16.961 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.228 -0.977 -15.639 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.507 -0.790 -13.891 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.865 -0.633 -15.030 1.00 0.00 H new ATOM 830 N VAL A 55 -4.887 1.415 -11.619 1.00 0.00 N ATOM 831 CA VAL A 55 -4.566 1.041 -10.251 1.00 0.00 C ATOM 832 C VAL A 55 -4.348 -0.473 -10.237 1.00 0.00 C ATOM 833 O VAL A 55 -5.074 -1.230 -10.887 1.00 0.00 O ATOM 834 CB VAL A 55 -5.659 1.503 -9.275 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.357 1.036 -7.845 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.746 3.033 -9.243 1.00 0.00 C ATOM 0 H VAL A 55 -5.878 1.570 -11.805 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.658 1.538 -9.910 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.596 1.070 -9.625 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.147 1.377 -7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.306 -0.053 -7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.403 1.451 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.526 3.339 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.790 3.445 -8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.984 3.405 -10.240 1.00 0.00 H new ATOM 846 N ALA A 56 -3.317 -0.915 -9.522 1.00 0.00 N ATOM 847 CA ALA A 56 -2.933 -2.307 -9.430 1.00 0.00 C ATOM 848 C ALA A 56 -2.580 -2.642 -7.984 1.00 0.00 C ATOM 849 O ALA A 56 -2.066 -1.797 -7.250 1.00 0.00 O ATOM 850 CB ALA A 56 -1.772 -2.573 -10.387 1.00 0.00 C ATOM 0 H ALA A 56 -2.716 -0.294 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.759 -2.954 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.479 -3.621 -10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.082 -2.346 -11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.925 -1.942 -10.116 1.00 0.00 H new ATOM 856 N LYS A 57 -2.852 -3.879 -7.575 1.00 0.00 N ATOM 857 CA LYS A 57 -2.568 -4.389 -6.243 1.00 0.00 C ATOM 858 C LYS A 57 -1.729 -5.648 -6.419 1.00 0.00 C ATOM 859 O LYS A 57 -2.035 -6.463 -7.284 1.00 0.00 O ATOM 860 CB LYS A 57 -3.879 -4.681 -5.493 1.00 0.00 C ATOM 861 CG LYS A 57 -4.456 -3.409 -4.856 1.00 0.00 C ATOM 862 CD LYS A 57 -5.805 -3.692 -4.176 1.00 0.00 C ATOM 863 CE LYS A 57 -6.324 -2.434 -3.472 1.00 0.00 C ATOM 864 NZ LYS A 57 -7.747 -2.560 -3.107 1.00 0.00 N ATOM 0 H LYS A 57 -3.289 -4.572 -8.182 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.023 -3.658 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.608 -5.107 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.699 -5.427 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.752 -3.014 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.584 -2.642 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.530 -4.026 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.693 -4.500 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.733 -2.249 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.191 -1.571 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.107 -1.637 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.291 -2.878 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.848 -3.254 -2.339 1.00 0.00 H new ATOM 878 N LEU A 58 -0.664 -5.804 -5.633 1.00 0.00 N ATOM 879 CA LEU A 58 0.236 -6.941 -5.715 1.00 0.00 C ATOM 880 C LEU A 58 0.398 -7.568 -4.336 1.00 0.00 C ATOM 881 O LEU A 58 0.964 -6.958 -3.429 1.00 0.00 O ATOM 882 CB LEU A 58 1.559 -6.482 -6.332 1.00 0.00 C ATOM 883 CG LEU A 58 2.448 -7.682 -6.696 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.288 -7.301 -7.909 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.387 -8.106 -5.562 1.00 0.00 C ATOM 0 H LEU A 58 -0.403 -5.131 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.171 -7.718 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.361 -5.889 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.086 -5.835 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 58 1.791 -8.528 -6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.928 -8.139 -8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.631 -7.055 -8.743 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.906 -6.437 -7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.986 -8.958 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.045 -7.276 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.799 -8.386 -4.688 1.00 0.00 H new ATOM 897 N ASN A 59 -0.111 -8.791 -4.172 1.00 0.00 N ATOM 898 CA ASN A 59 -0.030 -9.518 -2.916 1.00 0.00 C ATOM 899 C ASN A 59 1.362 -10.132 -2.761 1.00 0.00 C ATOM 900 O ASN A 59 1.663 -11.142 -3.404 1.00 0.00 O ATOM 901 CB ASN A 59 -1.102 -10.606 -2.878 1.00 0.00 C ATOM 902 CG ASN A 59 -0.900 -11.477 -1.648 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.431 -12.598 -1.772 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.243 -10.989 -0.464 1.00 0.00 N ATOM 0 H ASN A 59 -0.591 -9.301 -4.913 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.201 -8.830 -2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.093 -10.153 -2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.049 -11.215 -3.780 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.118 -11.554 0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.632 -10.049 -0.393 1.00 0.00 H new ATOM 911 N ILE A 60 2.208 -9.546 -1.910 1.00 0.00 N ATOM 912 CA ILE A 60 3.563 -10.045 -1.708 1.00 0.00 C ATOM 913 C ILE A 60 3.590 -11.399 -0.992 1.00 0.00 C ATOM 914 O ILE A 60 4.557 -12.135 -1.154 1.00 0.00 O ATOM 915 CB ILE A 60 4.493 -9.013 -1.045 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.156 -8.723 0.428 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.529 -7.717 -1.866 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.391 -8.238 1.193 1.00 0.00 C ATOM 0 H ILE A 60 1.975 -8.725 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 60 3.967 -10.214 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 60 5.486 -9.463 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.371 -7.968 0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.764 -9.625 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.191 -6.999 -1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.897 -7.932 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.524 -7.299 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.122 -8.041 2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.165 -9.005 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.766 -7.323 0.735 1.00 0.00 H new ATOM 930 N ASP A 61 2.553 -11.746 -0.215 1.00 0.00 N ATOM 931 CA ASP A 61 2.512 -13.036 0.482 1.00 0.00 C ATOM 932 C ASP A 61 2.740 -14.166 -0.522 1.00 0.00 C ATOM 933 O ASP A 61 3.618 -15.007 -0.347 1.00 0.00 O ATOM 934 CB ASP A 61 1.176 -13.260 1.208 1.00 0.00 C ATOM 935 CG ASP A 61 0.880 -12.215 2.274 1.00 0.00 C ATOM 936 OD1 ASP A 61 1.722 -12.093 3.191 1.00 0.00 O ATOM 937 OD2 ASP A 61 -0.183 -11.565 2.153 1.00 0.00 O ATOM 0 H ASP A 61 1.738 -11.154 -0.055 1.00 0.00 H new ATOM 0 HA ASP A 61 3.301 -13.030 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.369 -13.258 0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.184 -14.247 1.671 1.00 0.00 H new ATOM 942 N GLN A 62 1.929 -14.170 -1.579 1.00 0.00 N ATOM 943 CA GLN A 62 1.999 -15.146 -2.651 1.00 0.00 C ATOM 944 C GLN A 62 3.148 -14.818 -3.610 1.00 0.00 C ATOM 945 O GLN A 62 3.686 -15.721 -4.246 1.00 0.00 O ATOM 946 CB GLN A 62 0.655 -15.152 -3.387 1.00 0.00 C ATOM 947 CG GLN A 62 -0.486 -15.575 -2.452 1.00 0.00 C ATOM 948 CD GLN A 62 -1.832 -15.433 -3.146 1.00 0.00 C ATOM 949 OE1 GLN A 62 -2.432 -16.408 -3.585 1.00 0.00 O ATOM 950 NE2 GLN A 62 -2.310 -14.199 -3.244 1.00 0.00 N ATOM 0 H GLN A 62 1.192 -13.478 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 62 2.196 -16.136 -2.239 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.452 -14.159 -3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.705 -15.834 -4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.341 -16.609 -2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.470 -14.962 -1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.779 -13.415 -2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.208 -14.035 -3.698 1.00 0.00 H new ATOM 959 N ASN A 63 3.507 -13.534 -3.741 1.00 0.00 N ATOM 960 CA ASN A 63 4.540 -13.061 -4.663 1.00 0.00 C ATOM 961 C ASN A 63 5.701 -12.401 -3.914 1.00 0.00 C ATOM 962 O ASN A 63 5.900 -11.190 -4.052 1.00 0.00 O ATOM 963 CB ASN A 63 3.891 -12.077 -5.642 1.00 0.00 C ATOM 964 CG ASN A 63 2.731 -12.728 -6.375 1.00 0.00 C ATOM 965 OD1 ASN A 63 2.936 -13.405 -7.375 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.509 -12.524 -5.898 1.00 0.00 N ATOM 0 H ASN A 63 3.078 -12.784 -3.198 1.00 0.00 H new ATOM 0 HA ASN A 63 4.959 -13.908 -5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.538 -11.199 -5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.633 -11.731 -6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.703 -12.937 -6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.376 -11.954 -5.062 1.00 0.00 H new ATOM 973 N PRO A 64 6.480 -13.161 -3.129 1.00 0.00 N ATOM 974 CA PRO A 64 7.560 -12.607 -2.332 1.00 0.00 C ATOM 975 C PRO A 64 8.627 -11.934 -3.188 1.00 0.00 C ATOM 976 O PRO A 64 8.946 -10.779 -2.931 1.00 0.00 O ATOM 977 CB PRO A 64 8.109 -13.763 -1.491 1.00 0.00 C ATOM 978 CG PRO A 64 7.685 -15.014 -2.260 1.00 0.00 C ATOM 979 CD PRO A 64 6.364 -14.593 -2.901 1.00 0.00 C ATOM 0 HA PRO A 64 7.198 -11.807 -1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.193 -13.704 -1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.695 -13.755 -0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.425 -15.297 -3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.557 -15.871 -1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.194 -15.127 -3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.521 -14.819 -2.248 1.00 0.00 H new ATOM 987 N GLY A 65 9.177 -12.642 -4.183 1.00 0.00 N ATOM 988 CA GLY A 65 10.251 -12.181 -5.066 1.00 0.00 C ATOM 989 C GLY A 65 10.151 -10.705 -5.461 1.00 0.00 C ATOM 990 O GLY A 65 11.134 -9.964 -5.403 1.00 0.00 O ATOM 0 H GLY A 65 8.872 -13.590 -4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.208 -12.349 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.248 -12.788 -5.971 1.00 0.00 H new ATOM 994 N THR A 66 8.961 -10.271 -5.870 1.00 0.00 N ATOM 995 CA THR A 66 8.686 -8.907 -6.276 1.00 0.00 C ATOM 996 C THR A 66 9.142 -7.868 -5.237 1.00 0.00 C ATOM 997 O THR A 66 9.579 -6.781 -5.612 1.00 0.00 O ATOM 998 CB THR A 66 7.195 -8.792 -6.653 1.00 0.00 C ATOM 999 OG1 THR A 66 6.527 -10.033 -6.478 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.076 -8.381 -8.124 1.00 0.00 C ATOM 0 H THR A 66 8.144 -10.879 -5.927 1.00 0.00 H new ATOM 0 HA THR A 66 9.282 -8.670 -7.157 1.00 0.00 H new ATOM 0 HB THR A 66 6.736 -8.047 -6.004 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.399 -10.203 -5.521 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.023 -8.299 -8.395 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.566 -7.419 -8.274 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.554 -9.133 -8.752 1.00 0.00 H new ATOM 1008 N ALA A 67 9.070 -8.187 -3.940 1.00 0.00 N ATOM 1009 CA ALA A 67 9.498 -7.283 -2.880 1.00 0.00 C ATOM 1010 C ALA A 67 10.981 -6.900 -3.013 1.00 0.00 C ATOM 1011 O ALA A 67 11.253 -5.737 -3.318 1.00 0.00 O ATOM 1012 CB ALA A 67 9.095 -7.817 -1.499 1.00 0.00 C ATOM 0 H ALA A 67 8.713 -9.080 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 67 8.963 -6.340 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.428 -7.121 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.011 -7.920 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.560 -8.789 -1.335 1.00 0.00 H new ATOM 1018 N PRO A 68 11.956 -7.808 -2.817 1.00 0.00 N ATOM 1019 CA PRO A 68 13.361 -7.478 -2.986 1.00 0.00 C ATOM 1020 C PRO A 68 13.653 -6.995 -4.409 1.00 0.00 C ATOM 1021 O PRO A 68 14.466 -6.087 -4.562 1.00 0.00 O ATOM 1022 CB PRO A 68 14.159 -8.730 -2.611 1.00 0.00 C ATOM 1023 CG PRO A 68 13.158 -9.862 -2.813 1.00 0.00 C ATOM 1024 CD PRO A 68 11.832 -9.203 -2.438 1.00 0.00 C ATOM 0 HA PRO A 68 13.651 -6.649 -2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.037 -8.852 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.514 -8.687 -1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.155 -10.222 -3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.380 -10.718 -2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.000 -9.676 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.636 -9.301 -1.370 1.00 0.00 H new ATOM 1032 N LYS A 69 12.996 -7.546 -5.443 1.00 0.00 N ATOM 1033 CA LYS A 69 13.207 -7.078 -6.815 1.00 0.00 C ATOM 1034 C LYS A 69 13.053 -5.555 -6.924 1.00 0.00 C ATOM 1035 O LYS A 69 13.805 -4.921 -7.661 1.00 0.00 O ATOM 1036 CB LYS A 69 12.261 -7.780 -7.798 1.00 0.00 C ATOM 1037 CG LYS A 69 12.694 -9.223 -8.083 1.00 0.00 C ATOM 1038 CD LYS A 69 11.636 -10.000 -8.881 1.00 0.00 C ATOM 1039 CE LYS A 69 11.331 -9.349 -10.235 1.00 0.00 C ATOM 1040 NZ LYS A 69 10.494 -10.224 -11.077 1.00 0.00 N ATOM 0 H LYS A 69 12.323 -8.307 -5.353 1.00 0.00 H new ATOM 0 HA LYS A 69 14.232 -7.334 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.250 -7.779 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.229 -7.220 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.632 -9.216 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.885 -9.736 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.983 -11.021 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.718 -10.064 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.822 -8.398 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.264 -9.128 -10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.110 -9.676 -11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.070 -11.009 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.710 -10.605 -10.510 1.00 0.00 H new ATOM 1054 N TYR A 70 12.102 -4.969 -6.186 1.00 0.00 N ATOM 1055 CA TYR A 70 11.892 -3.523 -6.157 1.00 0.00 C ATOM 1056 C TYR A 70 12.260 -2.937 -4.789 1.00 0.00 C ATOM 1057 O TYR A 70 11.810 -1.849 -4.427 1.00 0.00 O ATOM 1058 CB TYR A 70 10.458 -3.215 -6.603 1.00 0.00 C ATOM 1059 CG TYR A 70 10.274 -3.468 -8.084 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.790 -2.539 -9.007 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.866 -4.739 -8.527 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.957 -2.899 -10.355 1.00 0.00 C ATOM 1063 CE2 TYR A 70 10.062 -5.110 -9.865 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.649 -4.207 -10.767 1.00 0.00 C ATOM 1065 OH TYR A 70 10.916 -4.610 -12.040 1.00 0.00 O ATOM 0 H TYR A 70 11.457 -5.489 -5.592 1.00 0.00 H new ATOM 0 HA TYR A 70 12.561 -3.030 -6.862 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.759 -3.831 -6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.221 -2.175 -6.378 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.059 -1.546 -8.678 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.402 -5.429 -7.837 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.320 -2.175 -11.070 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.761 -6.091 -10.202 1.00 0.00 H new ATOM 0 HH TYR A 70 10.640 -5.544 -12.152 1.00 0.00 H new ATOM 1075 N GLY A 71 13.103 -3.654 -4.039 1.00 0.00 N ATOM 1076 CA GLY A 71 13.598 -3.272 -2.728 1.00 0.00 C ATOM 1077 C GLY A 71 12.515 -2.684 -1.829 1.00 0.00 C ATOM 1078 O GLY A 71 12.762 -1.680 -1.170 1.00 0.00 O ATOM 0 H GLY A 71 13.470 -4.554 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.032 -4.145 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.399 -2.543 -2.847 1.00 0.00 H new ATOM 1082 N ILE A 72 11.319 -3.286 -1.806 1.00 0.00 N ATOM 1083 CA ILE A 72 10.212 -2.814 -0.975 1.00 0.00 C ATOM 1084 C ILE A 72 10.699 -2.638 0.464 1.00 0.00 C ATOM 1085 O ILE A 72 11.143 -3.590 1.102 1.00 0.00 O ATOM 1086 CB ILE A 72 9.000 -3.762 -1.098 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.053 -3.342 -2.236 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.143 -3.831 0.177 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.733 -3.195 -3.595 1.00 0.00 C ATOM 0 H ILE A 72 11.095 -4.111 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 72 9.868 -1.840 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 72 9.448 -4.736 -1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.255 -4.079 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.585 -2.394 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.310 -4.515 0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.753 -4.188 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.758 -2.838 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.996 -2.897 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.512 -2.436 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.177 -4.147 -3.885 1.00 0.00 H new ATOM 1101 N ARG A 73 10.634 -1.398 0.954 1.00 0.00 N ATOM 1102 CA ARG A 73 11.100 -1.039 2.277 1.00 0.00 C ATOM 1103 C ARG A 73 10.068 -1.437 3.332 1.00 0.00 C ATOM 1104 O ARG A 73 10.419 -1.985 4.373 1.00 0.00 O ATOM 1105 CB ARG A 73 11.366 0.468 2.316 1.00 0.00 C ATOM 1106 CG ARG A 73 12.515 0.916 1.399 1.00 0.00 C ATOM 1107 CD ARG A 73 12.053 1.699 0.161 1.00 0.00 C ATOM 1108 NE ARG A 73 11.621 0.823 -0.939 1.00 0.00 N ATOM 1109 CZ ARG A 73 11.076 1.260 -2.084 1.00 0.00 C ATOM 1110 NH1 ARG A 73 10.715 2.542 -2.204 1.00 0.00 N ATOM 1111 NH2 ARG A 73 10.915 0.429 -3.121 1.00 0.00 N ATOM 0 H ARG A 73 10.250 -0.612 0.429 1.00 0.00 H new ATOM 0 HA ARG A 73 12.024 -1.573 2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.457 0.996 2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.595 0.761 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 73 13.204 1.536 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 73 13.072 0.037 1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.230 2.358 0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.867 2.335 -0.186 1.00 0.00 H new ATOM 0 HE ARG A 73 11.744 -0.183 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.854 3.186 -1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.300 2.876 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.208 -0.545 -3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.500 0.770 -3.988 1.00 0.00 H new ATOM 1125 N GLY A 74 8.790 -1.158 3.067 1.00 0.00 N ATOM 1126 CA GLY A 74 7.699 -1.486 3.964 1.00 0.00 C ATOM 1127 C GLY A 74 6.390 -1.372 3.193 1.00 0.00 C ATOM 1128 O GLY A 74 6.248 -0.482 2.356 1.00 0.00 O ATOM 0 H GLY A 74 8.488 -0.692 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.821 -2.496 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.695 -0.810 4.819 1.00 0.00 H new ATOM 1132 N ILE A 75 5.454 -2.280 3.465 1.00 0.00 N ATOM 1133 CA ILE A 75 4.149 -2.326 2.816 1.00 0.00 C ATOM 1134 C ILE A 75 3.107 -1.601 3.680 1.00 0.00 C ATOM 1135 O ILE A 75 3.230 -1.626 4.905 1.00 0.00 O ATOM 1136 CB ILE A 75 3.743 -3.781 2.525 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.960 -4.692 3.744 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.526 -4.317 1.319 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.135 -5.968 3.613 1.00 0.00 C ATOM 0 H ILE A 75 5.586 -3.018 4.157 1.00 0.00 H new ATOM 0 HA ILE A 75 4.205 -1.809 1.858 1.00 0.00 H new ATOM 0 HB ILE A 75 2.677 -3.786 2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.017 -4.943 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.680 -4.163 4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.231 -5.348 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.310 -3.704 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.594 -4.280 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.302 -6.600 4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.077 -5.712 3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.435 -6.505 2.713 1.00 0.00 H new ATOM 1151 N PRO A 76 2.073 -0.974 3.095 1.00 0.00 N ATOM 1152 CA PRO A 76 1.807 -0.887 1.666 1.00 0.00 C ATOM 1153 C PRO A 76 2.838 -0.001 0.965 1.00 0.00 C ATOM 1154 O PRO A 76 3.251 1.012 1.525 1.00 0.00 O ATOM 1155 CB PRO A 76 0.403 -0.288 1.544 1.00 0.00 C ATOM 1156 CG PRO A 76 0.243 0.523 2.828 1.00 0.00 C ATOM 1157 CD PRO A 76 1.039 -0.287 3.850 1.00 0.00 C ATOM 0 HA PRO A 76 1.872 -1.865 1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.312 0.341 0.659 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.358 -1.064 1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.637 1.533 2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.804 0.619 3.117 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.476 0.363 4.609 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.397 -0.998 4.370 1.00 0.00 H new ATOM 1165 N THR A 77 3.267 -0.385 -0.242 1.00 0.00 N ATOM 1166 CA THR A 77 4.238 0.382 -1.019 1.00 0.00 C ATOM 1167 C THR A 77 3.570 0.719 -2.350 1.00 0.00 C ATOM 1168 O THR A 77 3.283 -0.200 -3.115 1.00 0.00 O ATOM 1169 CB THR A 77 5.532 -0.420 -1.246 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.768 -1.324 -0.189 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.735 0.525 -1.329 1.00 0.00 C ATOM 0 H THR A 77 2.949 -1.236 -0.705 1.00 0.00 H new ATOM 0 HA THR A 77 4.525 1.287 -0.484 1.00 0.00 H new ATOM 0 HB THR A 77 5.408 -0.970 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.824 -0.831 0.656 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.643 -0.056 -1.490 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.596 1.219 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.822 1.085 -0.398 1.00 0.00 H new ATOM 1179 N LEU A 78 3.316 2.000 -2.638 1.00 0.00 N ATOM 1180 CA LEU A 78 2.666 2.403 -3.879 1.00 0.00 C ATOM 1181 C LEU A 78 3.760 2.837 -4.854 1.00 0.00 C ATOM 1182 O LEU A 78 4.274 3.946 -4.727 1.00 0.00 O ATOM 1183 CB LEU A 78 1.633 3.533 -3.678 1.00 0.00 C ATOM 1184 CG LEU A 78 0.929 3.604 -2.315 1.00 0.00 C ATOM 1185 CD1 LEU A 78 -0.002 4.820 -2.303 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.086 2.370 -2.000 1.00 0.00 C ATOM 0 H LEU A 78 3.554 2.776 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 78 2.102 1.557 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.136 4.485 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.869 3.433 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 78 1.714 3.671 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.508 4.881 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.581 5.726 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.743 4.719 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.382 2.489 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.686 2.253 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.724 1.486 -1.992 1.00 0.00 H new ATOM 1198 N LEU A 79 4.121 1.988 -5.819 1.00 0.00 N ATOM 1199 CA LEU A 79 5.110 2.309 -6.842 1.00 0.00 C ATOM 1200 C LEU A 79 4.341 2.776 -8.071 1.00 0.00 C ATOM 1201 O LEU A 79 3.554 2.013 -8.626 1.00 0.00 O ATOM 1202 CB LEU A 79 5.962 1.084 -7.203 1.00 0.00 C ATOM 1203 CG LEU A 79 7.149 0.844 -6.256 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.723 0.309 -4.888 1.00 0.00 C ATOM 1205 CD2 LEU A 79 8.140 -0.143 -6.883 1.00 0.00 C ATOM 0 H LEU A 79 3.729 1.051 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 79 5.789 3.078 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.326 0.199 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.340 1.204 -8.218 1.00 0.00 H new ATOM 0 HG LEU A 79 7.618 1.816 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.605 0.160 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.057 1.026 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.203 -0.641 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.975 -0.303 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.638 -1.092 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.512 0.263 -7.823 1.00 0.00 H new ATOM 1217 N LEU A 80 4.553 4.019 -8.504 1.00 0.00 N ATOM 1218 CA LEU A 80 3.868 4.560 -9.664 1.00 0.00 C ATOM 1219 C LEU A 80 4.738 4.306 -10.893 1.00 0.00 C ATOM 1220 O LEU A 80 5.686 5.042 -11.155 1.00 0.00 O ATOM 1221 CB LEU A 80 3.544 6.029 -9.395 1.00 0.00 C ATOM 1222 CG LEU A 80 2.747 6.741 -10.503 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.817 5.841 -11.324 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.860 7.785 -9.826 1.00 0.00 C ATOM 0 H LEU A 80 5.201 4.670 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 80 2.912 4.074 -9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.980 6.095 -8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.479 6.568 -9.240 1.00 0.00 H new ATOM 0 HG LEU A 80 3.486 7.145 -11.195 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.303 6.439 -12.076 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.403 5.065 -11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.083 5.378 -10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.278 8.313 -10.581 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.185 7.291 -9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.484 8.497 -9.286 1.00 0.00 H new ATOM 1236 N PHE A 81 4.407 3.248 -11.634 1.00 0.00 N ATOM 1237 CA PHE A 81 5.112 2.805 -12.823 1.00 0.00 C ATOM 1238 C PHE A 81 4.542 3.484 -14.063 1.00 0.00 C ATOM 1239 O PHE A 81 3.508 3.061 -14.576 1.00 0.00 O ATOM 1240 CB PHE A 81 4.992 1.282 -12.960 1.00 0.00 C ATOM 1241 CG PHE A 81 5.963 0.494 -12.103 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.618 0.114 -10.797 1.00 0.00 C ATOM 1243 CD2 PHE A 81 7.182 0.060 -12.656 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.463 -0.741 -10.068 1.00 0.00 C ATOM 1245 CE2 PHE A 81 8.042 -0.767 -11.916 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.692 -1.150 -10.612 1.00 0.00 C ATOM 0 H PHE A 81 3.607 2.657 -11.408 1.00 0.00 H new ATOM 0 HA PHE A 81 6.163 3.077 -12.729 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.976 0.986 -12.701 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.146 1.011 -14.004 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.704 0.478 -10.352 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.457 0.365 -13.655 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.167 -1.084 -9.088 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.971 -1.108 -12.349 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.366 -1.758 -10.028 1.00 0.00 H new ATOM 1256 N LYS A 82 5.243 4.483 -14.592 1.00 0.00 N ATOM 1257 CA LYS A 82 4.894 5.099 -15.856 1.00 0.00 C ATOM 1258 C LYS A 82 5.499 4.228 -16.950 1.00 0.00 C ATOM 1259 O LYS A 82 6.703 4.260 -17.201 1.00 0.00 O ATOM 1260 CB LYS A 82 5.362 6.555 -15.925 1.00 0.00 C ATOM 1261 CG LYS A 82 4.445 7.429 -15.064 1.00 0.00 C ATOM 1262 CD LYS A 82 4.791 8.910 -15.257 1.00 0.00 C ATOM 1263 CE LYS A 82 4.026 9.793 -14.270 1.00 0.00 C ATOM 1264 NZ LYS A 82 2.571 9.725 -14.487 1.00 0.00 N ATOM 0 H LYS A 82 6.070 4.885 -14.150 1.00 0.00 H new ATOM 0 HA LYS A 82 3.813 5.151 -15.981 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.391 6.634 -15.575 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.349 6.903 -16.958 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.404 7.253 -15.334 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.552 7.157 -14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.863 9.056 -15.123 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.553 9.211 -16.277 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.256 9.482 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.360 10.825 -14.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.171 10.684 -14.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.378 9.297 -15.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.135 9.146 -13.741 1.00 0.00 H new ATOM 1278 N ASN A 83 4.641 3.422 -17.572 1.00 0.00 N ATOM 1279 CA ASN A 83 4.956 2.515 -18.659 1.00 0.00 C ATOM 1280 C ASN A 83 6.226 1.687 -18.430 1.00 0.00 C ATOM 1281 O ASN A 83 7.003 1.483 -19.358 1.00 0.00 O ATOM 1282 CB ASN A 83 4.981 3.284 -19.989 1.00 0.00 C ATOM 1283 CG ASN A 83 4.448 2.388 -21.096 1.00 0.00 C ATOM 1284 OD1 ASN A 83 3.417 2.694 -21.687 1.00 0.00 O ATOM 1285 ND2 ASN A 83 5.116 1.273 -21.360 1.00 0.00 N ATOM 0 H ASN A 83 3.655 3.387 -17.312 1.00 0.00 H new ATOM 0 HA ASN A 83 4.160 1.772 -18.701 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.375 4.187 -19.912 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.998 3.602 -20.220 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.776 0.633 -22.078 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.969 1.056 -20.845 1.00 0.00 H new ATOM 1292 N GLY A 84 6.417 1.192 -17.203 1.00 0.00 N ATOM 1293 CA GLY A 84 7.564 0.367 -16.843 1.00 0.00 C ATOM 1294 C GLY A 84 8.594 1.102 -15.989 1.00 0.00 C ATOM 1295 O GLY A 84 9.359 0.443 -15.285 1.00 0.00 O ATOM 0 H GLY A 84 5.773 1.356 -16.429 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.214 -0.512 -16.301 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.046 0.010 -17.753 1.00 0.00 H new ATOM 1299 N GLU A 85 8.621 2.439 -16.004 1.00 0.00 N ATOM 1300 CA GLU A 85 9.580 3.206 -15.216 1.00 0.00 C ATOM 1301 C GLU A 85 8.935 3.740 -13.941 1.00 0.00 C ATOM 1302 O GLU A 85 7.896 4.391 -13.997 1.00 0.00 O ATOM 1303 CB GLU A 85 10.146 4.362 -16.041 1.00 0.00 C ATOM 1304 CG GLU A 85 11.067 3.856 -17.155 1.00 0.00 C ATOM 1305 CD GLU A 85 10.302 3.297 -18.352 1.00 0.00 C ATOM 1306 OE1 GLU A 85 9.662 4.114 -19.047 1.00 0.00 O ATOM 1307 OE2 GLU A 85 10.375 2.064 -18.549 1.00 0.00 O ATOM 0 H GLU A 85 7.984 3.011 -16.558 1.00 0.00 H new ATOM 0 HA GLU A 85 10.395 2.539 -14.936 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.327 4.935 -16.476 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.699 5.039 -15.390 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.707 4.673 -17.489 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.721 3.081 -16.755 1.00 0.00 H new ATOM 1314 N VAL A 86 9.567 3.497 -12.793 1.00 0.00 N ATOM 1315 CA VAL A 86 9.083 4.008 -11.515 1.00 0.00 C ATOM 1316 C VAL A 86 9.242 5.531 -11.519 1.00 0.00 C ATOM 1317 O VAL A 86 10.357 6.038 -11.424 1.00 0.00 O ATOM 1318 CB VAL A 86 9.828 3.347 -10.341 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.358 3.921 -8.999 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.575 1.833 -10.317 1.00 0.00 C ATOM 0 H VAL A 86 10.422 2.945 -12.724 1.00 0.00 H new ATOM 0 HA VAL A 86 8.030 3.762 -11.382 1.00 0.00 H new ATOM 0 HB VAL A 86 10.889 3.550 -10.484 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.900 3.437 -8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.550 4.994 -8.975 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.290 3.741 -8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.111 1.388 -9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.507 1.644 -10.206 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.926 1.391 -11.249 1.00 0.00 H new ATOM 1330 N ALA A 87 8.130 6.260 -11.632 1.00 0.00 N ATOM 1331 CA ALA A 87 8.112 7.715 -11.649 1.00 0.00 C ATOM 1332 C ALA A 87 8.231 8.255 -10.226 1.00 0.00 C ATOM 1333 O ALA A 87 8.953 9.218 -9.980 1.00 0.00 O ATOM 1334 CB ALA A 87 6.811 8.195 -12.294 1.00 0.00 C ATOM 0 H ALA A 87 7.203 5.843 -11.715 1.00 0.00 H new ATOM 0 HA ALA A 87 8.957 8.084 -12.229 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.793 9.285 -12.309 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.750 7.817 -13.314 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.962 7.826 -11.719 1.00 0.00 H new ATOM 1340 N ALA A 88 7.525 7.622 -9.288 1.00 0.00 N ATOM 1341 CA ALA A 88 7.535 7.982 -7.882 1.00 0.00 C ATOM 1342 C ALA A 88 7.160 6.750 -7.073 1.00 0.00 C ATOM 1343 O ALA A 88 6.695 5.747 -7.628 1.00 0.00 O ATOM 1344 CB ALA A 88 6.548 9.122 -7.617 1.00 0.00 C ATOM 0 H ALA A 88 6.919 6.828 -9.496 1.00 0.00 H new ATOM 0 HA ALA A 88 8.527 8.328 -7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.567 9.381 -6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.831 9.993 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.543 8.805 -7.895 1.00 0.00 H new ATOM 1350 N THR A 89 7.362 6.807 -5.757 1.00 0.00 N ATOM 1351 CA THR A 89 7.035 5.708 -4.872 1.00 0.00 C ATOM 1352 C THR A 89 6.655 6.250 -3.500 1.00 0.00 C ATOM 1353 O THR A 89 7.266 7.200 -3.015 1.00 0.00 O ATOM 1354 CB THR A 89 8.198 4.710 -4.800 1.00 0.00 C ATOM 1355 OG1 THR A 89 8.467 4.195 -6.086 1.00 0.00 O ATOM 1356 CG2 THR A 89 7.861 3.535 -3.877 1.00 0.00 C ATOM 0 H THR A 89 7.757 7.619 -5.282 1.00 0.00 H new ATOM 0 HA THR A 89 6.176 5.165 -5.266 1.00 0.00 H new ATOM 0 HB THR A 89 9.066 5.241 -4.408 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.211 3.560 -6.035 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.703 2.844 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 89 7.659 3.907 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.980 3.016 -4.255 1.00 0.00 H new ATOM 1364 N LYS A 90 5.645 5.631 -2.894 1.00 0.00 N ATOM 1365 CA LYS A 90 5.135 5.919 -1.567 1.00 0.00 C ATOM 1366 C LYS A 90 5.379 4.663 -0.741 1.00 0.00 C ATOM 1367 O LYS A 90 5.148 3.559 -1.234 1.00 0.00 O ATOM 1368 CB LYS A 90 3.636 6.214 -1.675 1.00 0.00 C ATOM 1369 CG LYS A 90 2.896 6.226 -0.334 1.00 0.00 C ATOM 1370 CD LYS A 90 3.275 7.368 0.620 1.00 0.00 C ATOM 1371 CE LYS A 90 3.021 8.762 0.027 1.00 0.00 C ATOM 1372 NZ LYS A 90 4.210 9.302 -0.659 1.00 0.00 N ATOM 0 H LYS A 90 5.135 4.872 -3.347 1.00 0.00 H new ATOM 0 HA LYS A 90 5.619 6.781 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.502 7.182 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.177 5.467 -2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.825 6.280 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.080 5.278 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.706 7.264 1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.329 7.279 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.190 8.709 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.722 9.444 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.348 10.296 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.048 8.749 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.074 9.243 -1.688 1.00 0.00 H new ATOM 1386 N VAL A 91 5.818 4.832 0.506 1.00 0.00 N ATOM 1387 CA VAL A 91 6.073 3.757 1.450 1.00 0.00 C ATOM 1388 C VAL A 91 5.170 4.024 2.655 1.00 0.00 C ATOM 1389 O VAL A 91 5.233 5.110 3.228 1.00 0.00 O ATOM 1390 CB VAL A 91 7.559 3.767 1.849 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.907 2.553 2.718 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.483 3.777 0.623 1.00 0.00 C ATOM 0 H VAL A 91 6.011 5.755 0.895 1.00 0.00 H new ATOM 0 HA VAL A 91 5.860 2.776 1.026 1.00 0.00 H new ATOM 0 HB VAL A 91 7.717 4.684 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.963 2.587 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.303 2.570 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.702 1.638 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.522 3.784 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.298 2.887 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.285 4.667 0.026 1.00 0.00 H new ATOM 1402 N GLY A 92 4.319 3.064 3.016 1.00 0.00 N ATOM 1403 CA GLY A 92 3.386 3.197 4.122 1.00 0.00 C ATOM 1404 C GLY A 92 2.049 3.782 3.663 1.00 0.00 C ATOM 1405 O GLY A 92 1.876 4.149 2.501 1.00 0.00 O ATOM 0 H GLY A 92 4.262 2.164 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.220 2.221 4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.820 3.838 4.890 1.00 0.00 H new ATOM 1409 N ALA A 93 1.092 3.846 4.594 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.239 4.378 4.335 1.00 0.00 C ATOM 1411 C ALA A 93 -0.196 5.898 4.157 1.00 0.00 C ATOM 1412 O ALA A 93 0.834 6.535 4.369 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.182 3.972 5.469 1.00 0.00 C ATOM 0 H ALA A 93 1.225 3.527 5.553 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.617 3.958 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.178 4.370 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.232 2.885 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.809 4.371 6.412 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.334 6.477 3.767 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.489 7.896 3.502 1.00 0.00 C ATOM 1421 C LEU A 94 -2.977 8.236 3.505 1.00 0.00 C ATOM 1422 O LEU A 94 -3.811 7.331 3.472 1.00 0.00 O ATOM 1423 CB LEU A 94 -0.830 8.249 2.157 1.00 0.00 C ATOM 1424 CG LEU A 94 -1.572 7.747 0.903 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.739 8.113 -0.325 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -1.799 6.231 0.863 1.00 0.00 C ATOM 0 H LEU A 94 -2.195 5.949 3.625 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.996 8.485 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.735 9.333 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.180 7.839 2.149 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.554 8.220 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.246 7.766 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.616 9.195 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.240 7.639 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.327 5.966 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.837 5.718 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.394 5.929 1.725 1.00 0.00 H new ATOM 1438 N SER A 95 -3.309 9.526 3.524 1.00 0.00 N ATOM 1439 CA SER A 95 -4.687 9.983 3.470 1.00 0.00 C ATOM 1440 C SER A 95 -5.157 9.980 2.015 1.00 0.00 C ATOM 1441 O SER A 95 -4.336 10.036 1.096 1.00 0.00 O ATOM 1442 CB SER A 95 -4.766 11.397 4.056 1.00 0.00 C ATOM 1443 OG SER A 95 -3.979 12.295 3.288 1.00 0.00 O ATOM 0 H SER A 95 -2.625 10.281 3.577 1.00 0.00 H new ATOM 0 HA SER A 95 -5.330 9.322 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.803 11.734 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.418 11.390 5.089 1.00 0.00 H new ATOM 0 HG SER A 95 -4.040 13.194 3.672 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.474 9.970 1.787 1.00 0.00 N ATOM 1450 CA LYS A 96 -6.987 10.065 0.427 1.00 0.00 C ATOM 1451 C LYS A 96 -6.456 11.352 -0.208 1.00 0.00 C ATOM 1452 O LYS A 96 -6.045 11.343 -1.363 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.520 9.984 0.402 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.019 9.892 -1.048 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.517 9.574 -1.118 1.00 0.00 C ATOM 1456 CE LYS A 96 -10.929 9.377 -2.582 1.00 0.00 C ATOM 1457 NZ LYS A 96 -12.359 9.055 -2.705 1.00 0.00 N ATOM 0 H LYS A 96 -7.187 9.899 2.513 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.636 9.217 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.855 9.114 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.947 10.862 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.824 10.834 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.459 9.120 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.736 8.674 -0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.093 10.385 -0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.710 10.283 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.336 8.575 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.591 8.879 -3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.573 8.205 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.926 9.853 -2.354 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.416 12.445 0.562 1.00 0.00 N ATOM 1472 CA GLY A 97 -5.866 13.716 0.112 1.00 0.00 C ATOM 1473 C GLY A 97 -4.433 13.535 -0.390 1.00 0.00 C ATOM 1474 O GLY A 97 -4.116 13.919 -1.515 1.00 0.00 O ATOM 0 H GLY A 97 -6.768 12.467 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.487 14.125 -0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.882 14.436 0.931 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.561 12.933 0.427 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.186 12.686 0.018 1.00 0.00 C ATOM 1480 C GLN A 98 -2.131 11.786 -1.217 1.00 0.00 C ATOM 1481 O GLN A 98 -1.314 12.022 -2.102 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.382 12.097 1.182 1.00 0.00 C ATOM 1483 CG GLN A 98 -0.909 13.176 2.164 1.00 0.00 C ATOM 1484 CD GLN A 98 0.182 14.045 1.541 1.00 0.00 C ATOM 1485 OE1 GLN A 98 1.341 13.651 1.498 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -0.178 15.225 1.040 1.00 0.00 N ATOM 0 H GLN A 98 -3.787 12.612 1.368 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.731 13.637 -0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.995 11.369 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.518 11.561 0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.753 13.801 2.457 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.530 12.706 3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.151 15.525 1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.520 15.829 0.605 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.987 10.765 -1.302 1.00 0.00 N ATOM 1496 CA LEU A 99 -3.005 9.893 -2.470 1.00 0.00 C ATOM 1497 C LEU A 99 -3.369 10.704 -3.721 1.00 0.00 C ATOM 1498 O LEU A 99 -2.637 10.669 -4.708 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.931 8.694 -2.216 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.973 7.648 -3.344 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.594 7.167 -3.811 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.741 6.425 -2.832 1.00 0.00 C ATOM 0 H LEU A 99 -3.669 10.526 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.013 9.478 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.616 8.201 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.942 9.065 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.449 8.132 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.715 6.432 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.020 8.015 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.065 6.711 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.784 5.668 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.233 6.015 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.753 6.720 -2.557 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.460 11.474 -3.669 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.878 12.348 -4.762 1.00 0.00 C ATOM 1516 C LYS A 100 -3.717 13.262 -5.160 1.00 0.00 C ATOM 1517 O LYS A 100 -3.386 13.365 -6.338 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.097 13.190 -4.344 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.394 12.390 -4.157 1.00 0.00 C ATOM 1520 CD LYS A 100 -7.981 11.817 -5.456 1.00 0.00 C ATOM 1521 CE LYS A 100 -8.366 12.861 -6.510 1.00 0.00 C ATOM 1522 NZ LYS A 100 -9.351 13.827 -5.997 1.00 0.00 N ATOM 0 H LYS A 100 -5.080 11.506 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.163 11.734 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.865 13.703 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.266 13.959 -5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.203 11.569 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.139 13.034 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.255 11.132 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.865 11.229 -5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.472 13.393 -6.836 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.775 12.358 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.621 14.484 -6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.194 13.318 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.934 14.362 -5.209 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.096 13.913 -4.172 1.00 0.00 N ATOM 1537 CA GLU A 101 -1.970 14.816 -4.371 1.00 0.00 C ATOM 1538 C GLU A 101 -0.837 14.102 -5.118 1.00 0.00 C ATOM 1539 O GLU A 101 -0.392 14.558 -6.168 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.530 15.348 -2.999 1.00 0.00 C ATOM 1541 CG GLU A 101 -0.460 16.441 -3.082 1.00 0.00 C ATOM 1542 CD GLU A 101 -0.107 16.954 -1.689 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -0.928 17.723 -1.144 1.00 0.00 O ATOM 1544 OE2 GLU A 101 0.957 16.545 -1.173 1.00 0.00 O ATOM 0 H GLU A 101 -3.371 13.822 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.259 15.663 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.401 15.742 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.147 14.520 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.433 16.047 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.821 17.265 -3.698 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.382 12.975 -4.567 1.00 0.00 N ATOM 1552 CA PHE A 102 0.684 12.140 -5.106 1.00 0.00 C ATOM 1553 C PHE A 102 0.401 11.770 -6.565 1.00 0.00 C ATOM 1554 O PHE A 102 1.226 12.002 -7.453 1.00 0.00 O ATOM 1555 CB PHE A 102 0.805 10.897 -4.212 1.00 0.00 C ATOM 1556 CG PHE A 102 1.820 9.852 -4.638 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.173 9.990 -4.274 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.378 8.655 -5.234 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.063 8.914 -4.445 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.270 7.585 -5.412 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.603 7.701 -4.988 1.00 0.00 C ATOM 0 H PHE A 102 -0.765 12.607 -3.696 1.00 0.00 H new ATOM 0 HA PHE A 102 1.631 12.680 -5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.056 11.225 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.173 10.420 -4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.528 10.923 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.351 8.560 -5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.099 9.019 -4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.930 6.671 -5.876 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.274 6.860 -5.079 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.775 11.194 -6.818 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.168 10.778 -8.154 1.00 0.00 C ATOM 1573 C LEU A 103 -1.224 11.975 -9.095 1.00 0.00 C ATOM 1574 O LEU A 103 -0.609 11.945 -10.159 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.511 10.046 -8.106 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.437 8.738 -7.308 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.844 8.159 -7.169 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.478 7.719 -7.934 1.00 0.00 C ATOM 0 H LEU A 103 -1.476 11.006 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.419 10.088 -8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.261 10.699 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.840 9.830 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.032 8.963 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.800 7.229 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.481 8.872 -6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.256 7.962 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.464 6.813 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.812 7.477 -8.943 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.474 8.142 -7.976 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.940 13.033 -8.710 1.00 0.00 N ATOM 1591 CA ASP A 104 -2.068 14.241 -9.515 1.00 0.00 C ATOM 1592 C ASP A 104 -0.690 14.789 -9.887 1.00 0.00 C ATOM 1593 O ASP A 104 -0.428 15.048 -11.058 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.893 15.290 -8.766 1.00 0.00 C ATOM 1595 CG ASP A 104 -3.032 16.561 -9.595 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.904 16.556 -10.491 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -2.261 17.507 -9.324 1.00 0.00 O ATOM 0 H ASP A 104 -2.448 13.072 -7.827 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.589 13.992 -10.439 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.881 14.888 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.417 15.522 -7.813 1.00 0.00 H new ATOM 1602 N ALA A 105 0.188 14.945 -8.895 1.00 0.00 N ATOM 1603 CA ALA A 105 1.542 15.443 -9.093 1.00 0.00 C ATOM 1604 C ALA A 105 2.301 14.615 -10.132 1.00 0.00 C ATOM 1605 O ALA A 105 3.073 15.163 -10.913 1.00 0.00 O ATOM 1606 CB ALA A 105 2.289 15.455 -7.756 1.00 0.00 C ATOM 0 H ALA A 105 -0.027 14.726 -7.922 1.00 0.00 H new ATOM 0 HA ALA A 105 1.479 16.461 -9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.302 15.828 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.766 16.103 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.332 14.443 -7.354 1.00 0.00 H new ATOM 1612 N ASN A 106 2.075 13.297 -10.159 1.00 0.00 N ATOM 1613 CA ASN A 106 2.755 12.419 -11.103 1.00 0.00 C ATOM 1614 C ASN A 106 2.108 12.516 -12.480 1.00 0.00 C ATOM 1615 O ASN A 106 2.806 12.657 -13.479 1.00 0.00 O ATOM 1616 CB ASN A 106 2.711 10.966 -10.612 1.00 0.00 C ATOM 1617 CG ASN A 106 3.851 10.660 -9.650 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.869 10.111 -10.058 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.686 10.988 -8.373 1.00 0.00 N ATOM 0 H ASN A 106 1.425 12.819 -9.535 1.00 0.00 H new ATOM 0 HA ASN A 106 3.795 12.737 -11.176 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.758 10.778 -10.118 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.765 10.292 -11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.420 10.784 -7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.825 11.444 -8.071 1.00 0.00 H new ATOM 1626 N LEU A 107 0.779 12.424 -12.553 1.00 0.00 N ATOM 1627 CA LEU A 107 0.049 12.497 -13.809 1.00 0.00 C ATOM 1628 C LEU A 107 0.325 13.832 -14.507 1.00 0.00 C ATOM 1629 O LEU A 107 0.551 13.866 -15.715 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.449 12.299 -13.536 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.795 10.861 -13.103 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.193 10.844 -12.477 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.765 9.885 -14.286 1.00 0.00 C ATOM 0 H LEU A 107 0.181 12.296 -11.736 1.00 0.00 H new ATOM 0 HA LEU A 107 0.385 11.705 -14.479 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.766 12.993 -12.758 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.013 12.548 -14.435 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.044 10.540 -12.381 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.442 9.828 -12.169 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.210 11.501 -11.607 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.923 11.191 -13.208 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.015 8.883 -13.937 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.491 10.200 -15.036 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.768 9.878 -14.727 1.00 0.00 H new ATOM 1645 N ALA A 108 0.333 14.931 -13.751 1.00 0.00 N ATOM 1646 CA ALA A 108 0.625 16.254 -14.277 1.00 0.00 C ATOM 1647 C ALA A 108 2.030 16.272 -14.882 1.00 0.00 C ATOM 1648 O ALA A 108 2.470 17.294 -15.404 1.00 0.00 O ATOM 1649 CB ALA A 108 0.485 17.293 -13.160 1.00 0.00 C ATOM 0 H ALA A 108 0.135 14.922 -12.750 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.085 16.504 -15.066 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.704 18.285 -13.556 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.533 17.274 -12.771 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.184 17.060 -12.357 1.00 0.00 H new TER 1655 ALA A 108