USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 835 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 85 LYS NZ :NH3+ 172:sc= 0.784 (180deg=0.00714) USER MOD Set 1.2: A 88 THR OG1 : rot 12:sc= 1.24 USER MOD Set 2.1: A 7 ASN : amide:sc= -1.08! X(o=0.37!,f=0.54) USER MOD Set 2.2: A 62 SER OG : rot 82:sc= 1.45 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0824) USER MOD Single : A 1 MET N :NH3+ -107:sc= 2.14 (180deg=1.04) USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.712 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 18 SER OG : rot -104:sc= 1.13 USER MOD Single : A 19 SER OG : rot 111:sc= 0.25 USER MOD Single : A 48 TYR OH : rot -14:sc= 1.28 USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0179) USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= 1.33 (180deg=0.688) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0506) USER MOD Single : A 54 CYS SG : rot 170:sc= -1.72! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.364 K(o=0.36,f=-9.7!) USER MOD Single : A 59 THR OG1 : rot 87:sc= 1.01 USER MOD Single : A 64 ASN : amide:sc= 1.17 K(o=1.2,f=-0.031) USER MOD Single : A 67 SER OG : rot -10:sc= 1.14 USER MOD Single : A 69 TYR OH : rot -109:sc= 0.353 USER MOD Single : A 73 SER OG : rot 180:sc= -0.285 USER MOD Single : A 76 THR OG1 : rot 101:sc= 1.89 USER MOD Single : A 78 MET CE :methyl 155:sc= -0.435 (180deg=-1.88) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= -0.0153 (180deg=-0.104) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot -102:sc= 0.49 USER MOD Single : A 95 LYS NZ :NH3+ -179:sc= 0.77 (180deg=0.768) USER MOD Single : A 97 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 100 GLN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 101 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 104 LYS NZ :NH3+ 144:sc= -0.125 (180deg=-1.07) USER MOD Single : A 105 TYR OH : rot -129:sc= 0.961 USER MOD Single : A 107 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.081 -3.120 -12.603 1.00 0.00 N ATOM 2 CA MET A 1 -5.014 -2.293 -13.198 1.00 0.00 C ATOM 3 C MET A 1 -4.879 -0.930 -12.494 1.00 0.00 C ATOM 4 O MET A 1 -4.760 0.097 -13.155 1.00 0.00 O ATOM 5 CB MET A 1 -5.288 -2.109 -14.703 1.00 0.00 C ATOM 6 CG MET A 1 -6.665 -1.493 -15.022 1.00 0.00 C ATOM 7 SD MET A 1 -8.093 -2.603 -14.898 1.00 0.00 S ATOM 8 CE MET A 1 -7.823 -3.676 -16.327 1.00 0.00 C ATOM 0 H1 MET A 1 -5.655 -3.893 -12.053 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.667 -2.532 -11.977 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.674 -3.518 -13.359 1.00 0.00 H new ATOM 0 HA MET A 1 -4.065 -2.811 -13.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.511 -1.474 -15.128 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.213 -3.078 -15.196 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.827 -0.651 -14.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.633 -1.090 -16.034 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.699 -4.307 -16.479 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.658 -3.065 -17.215 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.950 -4.304 -16.151 1.00 0.00 H new ATOM 20 N GLU A 2 -4.923 -0.912 -11.159 1.00 0.00 N ATOM 21 CA GLU A 2 -4.853 0.307 -10.360 1.00 0.00 C ATOM 22 C GLU A 2 -3.566 0.359 -9.535 1.00 0.00 C ATOM 23 O GLU A 2 -3.022 1.438 -9.321 1.00 0.00 O ATOM 24 CB GLU A 2 -6.084 0.398 -9.447 1.00 0.00 C ATOM 25 CG GLU A 2 -7.410 0.353 -10.229 1.00 0.00 C ATOM 26 CD GLU A 2 -7.826 -1.066 -10.601 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.936 -1.899 -9.678 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.978 -1.317 -11.817 1.00 0.00 O ATOM 0 H GLU A 2 -5.010 -1.759 -10.597 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.843 1.162 -11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.061 -0.424 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.037 1.323 -8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.196 0.812 -9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.312 0.948 -11.137 1.00 0.00 H new ATOM 35 N ALA A 3 -3.092 -0.798 -9.065 1.00 0.00 N ATOM 36 CA ALA A 3 -1.898 -0.902 -8.240 1.00 0.00 C ATOM 37 C ALA A 3 -0.640 -0.498 -9.017 1.00 0.00 C ATOM 38 O ALA A 3 -0.065 -1.328 -9.721 1.00 0.00 O ATOM 39 CB ALA A 3 -1.779 -2.338 -7.722 1.00 0.00 C ATOM 0 H ALA A 3 -3.536 -1.697 -9.252 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.987 -0.213 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.887 -2.428 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.660 -2.585 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.705 -3.024 -8.566 1.00 0.00 H new ATOM 45 N GLY A 4 -0.201 0.759 -8.895 1.00 0.00 N ATOM 46 CA GLY A 4 1.025 1.214 -9.542 1.00 0.00 C ATOM 47 C GLY A 4 2.259 0.710 -8.782 1.00 0.00 C ATOM 48 O GLY A 4 2.138 -0.059 -7.829 1.00 0.00 O ATOM 0 H GLY A 4 -0.680 1.477 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.054 0.855 -10.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.037 2.303 -9.584 1.00 0.00 H new ATOM 52 N ALA A 5 3.454 1.169 -9.166 1.00 0.00 N ATOM 53 CA ALA A 5 4.714 0.817 -8.516 1.00 0.00 C ATOM 54 C ALA A 5 5.436 2.109 -8.135 1.00 0.00 C ATOM 55 O ALA A 5 5.389 3.063 -8.911 1.00 0.00 O ATOM 56 CB ALA A 5 5.567 -0.027 -9.465 1.00 0.00 C ATOM 0 H ALA A 5 3.572 1.808 -9.953 1.00 0.00 H new ATOM 0 HA ALA A 5 4.530 0.228 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.506 -0.287 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.028 -0.938 -9.725 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.775 0.542 -10.371 1.00 0.00 H new ATOM 62 N VAL A 6 6.077 2.157 -6.961 1.00 0.00 N ATOM 63 CA VAL A 6 6.785 3.345 -6.487 1.00 0.00 C ATOM 64 C VAL A 6 8.105 2.984 -5.801 1.00 0.00 C ATOM 65 O VAL A 6 8.388 1.824 -5.491 1.00 0.00 O ATOM 66 CB VAL A 6 5.895 4.188 -5.538 1.00 0.00 C ATOM 67 CG1 VAL A 6 5.019 5.158 -6.328 1.00 0.00 C ATOM 68 CG2 VAL A 6 5.019 3.367 -4.583 1.00 0.00 C ATOM 0 H VAL A 6 6.117 1.370 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 6 7.019 3.947 -7.365 1.00 0.00 H new ATOM 0 HB VAL A 6 6.599 4.736 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.405 5.737 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.652 5.833 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.375 4.597 -7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.432 4.040 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.349 2.731 -5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.653 2.746 -3.951 1.00 0.00 H new ATOM 78 N ASN A 7 8.908 4.028 -5.580 1.00 0.00 N ATOM 79 CA ASN A 7 10.178 4.017 -4.870 1.00 0.00 C ATOM 80 C ASN A 7 10.252 5.333 -4.099 1.00 0.00 C ATOM 81 O ASN A 7 9.404 6.199 -4.307 1.00 0.00 O ATOM 82 CB ASN A 7 11.337 3.873 -5.867 1.00 0.00 C ATOM 83 CG ASN A 7 12.741 4.126 -5.317 1.00 0.00 C ATOM 84 OD1 ASN A 7 13.454 4.993 -5.809 1.00 0.00 O ATOM 85 ND2 ASN A 7 13.141 3.392 -4.285 1.00 0.00 N ATOM 0 H ASN A 7 8.668 4.961 -5.916 1.00 0.00 H new ATOM 0 HA ASN A 7 10.254 3.174 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.309 2.865 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.164 4.562 -6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.065 3.543 -3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.524 2.678 -3.898 1.00 0.00 H new ATOM 92 N ASP A 8 11.268 5.488 -3.250 1.00 0.00 N ATOM 93 CA ASP A 8 11.494 6.639 -2.372 1.00 0.00 C ATOM 94 C ASP A 8 11.141 7.964 -3.047 1.00 0.00 C ATOM 95 O ASP A 8 10.476 8.807 -2.450 1.00 0.00 O ATOM 96 CB ASP A 8 12.968 6.703 -1.935 1.00 0.00 C ATOM 97 CG ASP A 8 13.417 5.563 -1.033 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.625 5.155 -0.156 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.582 5.143 -1.199 1.00 0.00 O ATOM 0 H ASP A 8 11.994 4.778 -3.150 1.00 0.00 H new ATOM 0 HA ASP A 8 10.842 6.499 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.596 6.712 -2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.138 7.646 -1.416 1.00 0.00 H new ATOM 104 N ASP A 9 11.604 8.145 -4.285 1.00 0.00 N ATOM 105 CA ASP A 9 11.332 9.346 -5.058 1.00 0.00 C ATOM 106 C ASP A 9 9.843 9.447 -5.398 1.00 0.00 C ATOM 107 O ASP A 9 9.113 10.222 -4.789 1.00 0.00 O ATOM 108 CB ASP A 9 12.182 9.338 -6.335 1.00 0.00 C ATOM 109 CG ASP A 9 11.809 10.509 -7.239 1.00 0.00 C ATOM 110 OD1 ASP A 9 12.039 11.657 -6.802 1.00 0.00 O ATOM 111 OD2 ASP A 9 11.281 10.230 -8.337 1.00 0.00 O ATOM 0 H ASP A 9 12.178 7.459 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 9 11.596 10.219 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.239 9.396 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.036 8.399 -6.869 1.00 0.00 H new ATOM 116 N THR A 10 9.400 8.651 -6.374 1.00 0.00 N ATOM 117 CA THR A 10 8.046 8.660 -6.920 1.00 0.00 C ATOM 118 C THR A 10 6.978 8.672 -5.820 1.00 0.00 C ATOM 119 O THR A 10 5.987 9.394 -5.934 1.00 0.00 O ATOM 120 CB THR A 10 7.897 7.462 -7.868 1.00 0.00 C ATOM 121 OG1 THR A 10 8.383 6.278 -7.259 1.00 0.00 O ATOM 122 CG2 THR A 10 8.700 7.701 -9.152 1.00 0.00 C ATOM 0 H THR A 10 9.999 7.957 -6.821 1.00 0.00 H new ATOM 0 HA THR A 10 7.888 9.581 -7.481 1.00 0.00 H new ATOM 0 HB THR A 10 6.837 7.351 -8.099 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.427 5.561 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.587 6.845 -9.817 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.332 8.598 -9.650 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.753 7.831 -8.904 1.00 0.00 H new ATOM 130 N PHE A 11 7.214 7.908 -4.749 1.00 0.00 N ATOM 131 CA PHE A 11 6.390 7.817 -3.549 1.00 0.00 C ATOM 132 C PHE A 11 5.846 9.182 -3.140 1.00 0.00 C ATOM 133 O PHE A 11 4.664 9.348 -2.860 1.00 0.00 O ATOM 134 CB PHE A 11 7.283 7.291 -2.424 1.00 0.00 C ATOM 135 CG PHE A 11 6.635 7.165 -1.065 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.657 6.181 -0.847 1.00 0.00 C ATOM 137 CD2 PHE A 11 7.086 7.957 0.008 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.107 6.005 0.432 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.562 7.756 1.295 1.00 0.00 C ATOM 140 CZ PHE A 11 5.570 6.784 1.505 1.00 0.00 C ATOM 0 H PHE A 11 8.034 7.303 -4.698 1.00 0.00 H new ATOM 0 HA PHE A 11 5.542 7.160 -3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.661 6.311 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.145 7.952 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.327 5.558 -1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.834 8.718 -0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.330 5.272 0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.922 8.349 2.123 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.162 6.635 2.494 1.00 0.00 H new ATOM 150 N LYS A 12 6.741 10.161 -3.110 1.00 0.00 N ATOM 151 CA LYS A 12 6.424 11.538 -2.763 1.00 0.00 C ATOM 152 C LYS A 12 5.164 12.027 -3.477 1.00 0.00 C ATOM 153 O LYS A 12 4.140 12.310 -2.856 1.00 0.00 O ATOM 154 CB LYS A 12 7.585 12.451 -3.162 1.00 0.00 C ATOM 155 CG LYS A 12 8.793 12.267 -2.234 1.00 0.00 C ATOM 156 CD LYS A 12 10.028 13.019 -2.746 1.00 0.00 C ATOM 157 CE LYS A 12 9.823 14.538 -2.745 1.00 0.00 C ATOM 158 NZ LYS A 12 11.051 15.243 -3.154 1.00 0.00 N ATOM 0 H LYS A 12 7.726 10.016 -3.331 1.00 0.00 H new ATOM 0 HA LYS A 12 6.254 11.571 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.879 12.238 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.258 13.490 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.540 12.622 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.025 11.206 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.887 12.770 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.260 12.686 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.009 14.798 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.527 14.867 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.882 16.269 -3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.820 15.012 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.319 14.946 -4.114 1.00 0.00 H new ATOM 172 N ASN A 13 5.253 12.152 -4.799 1.00 0.00 N ATOM 173 CA ASN A 13 4.157 12.700 -5.574 1.00 0.00 C ATOM 174 C ASN A 13 2.997 11.738 -5.637 1.00 0.00 C ATOM 175 O ASN A 13 1.840 12.117 -5.480 1.00 0.00 O ATOM 176 CB ASN A 13 4.596 12.973 -7.011 1.00 0.00 C ATOM 177 CG ASN A 13 3.579 13.857 -7.724 1.00 0.00 C ATOM 178 OD1 ASN A 13 2.973 13.448 -8.707 1.00 0.00 O ATOM 179 ND2 ASN A 13 3.387 15.079 -7.235 1.00 0.00 N ATOM 0 H ASN A 13 6.069 11.882 -5.348 1.00 0.00 H new ATOM 0 HA ASN A 13 3.854 13.623 -5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.572 13.458 -7.013 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.707 12.031 -7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.718 15.707 -7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.909 15.388 -6.415 1.00 0.00 H new ATOM 186 N VAL A 14 3.346 10.485 -5.908 1.00 0.00 N ATOM 187 CA VAL A 14 2.356 9.477 -6.215 1.00 0.00 C ATOM 188 C VAL A 14 1.498 9.158 -4.988 1.00 0.00 C ATOM 189 O VAL A 14 0.303 8.908 -5.123 1.00 0.00 O ATOM 190 CB VAL A 14 3.061 8.229 -6.784 1.00 0.00 C ATOM 191 CG1 VAL A 14 2.100 7.052 -7.001 1.00 0.00 C ATOM 192 CG2 VAL A 14 3.721 8.557 -8.132 1.00 0.00 C ATOM 0 H VAL A 14 4.309 10.150 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 14 1.671 9.854 -6.974 1.00 0.00 H new ATOM 0 HB VAL A 14 3.806 7.937 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.651 6.202 -7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.645 6.773 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.320 7.344 -7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.215 7.667 -8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.960 8.888 -8.839 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.457 9.349 -7.994 1.00 0.00 H new ATOM 202 N VAL A 15 2.107 9.151 -3.799 1.00 0.00 N ATOM 203 CA VAL A 15 1.443 8.817 -2.551 1.00 0.00 C ATOM 204 C VAL A 15 1.209 10.068 -1.711 1.00 0.00 C ATOM 205 O VAL A 15 0.073 10.522 -1.596 1.00 0.00 O ATOM 206 CB VAL A 15 2.264 7.781 -1.760 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.472 7.299 -0.540 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.654 6.600 -2.654 1.00 0.00 C ATOM 0 H VAL A 15 3.093 9.383 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 15 0.474 8.379 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 15 3.181 8.257 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.062 6.567 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.249 8.147 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.540 6.839 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.233 5.881 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.753 6.118 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.254 6.959 -3.490 1.00 0.00 H new ATOM 218 N LEU A 16 2.265 10.615 -1.102 1.00 0.00 N ATOM 219 CA LEU A 16 2.144 11.681 -0.110 1.00 0.00 C ATOM 220 C LEU A 16 1.303 12.846 -0.627 1.00 0.00 C ATOM 221 O LEU A 16 0.315 13.223 0.003 1.00 0.00 O ATOM 222 CB LEU A 16 3.529 12.166 0.345 1.00 0.00 C ATOM 223 CG LEU A 16 4.468 11.047 0.827 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.750 11.686 1.368 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.831 10.188 1.924 1.00 0.00 C ATOM 0 H LEU A 16 3.227 10.329 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 16 1.625 11.263 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.006 12.693 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.401 12.888 1.151 1.00 0.00 H new ATOM 0 HG LEU A 16 4.680 10.393 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.427 10.905 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.232 12.260 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.504 12.348 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.532 9.412 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.585 10.815 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.922 9.725 1.541 1.00 0.00 H new ATOM 237 N GLU A 17 1.682 13.393 -1.786 1.00 0.00 N ATOM 238 CA GLU A 17 0.996 14.534 -2.384 1.00 0.00 C ATOM 239 C GLU A 17 -0.275 14.131 -3.148 1.00 0.00 C ATOM 240 O GLU A 17 -0.807 14.955 -3.890 1.00 0.00 O ATOM 241 CB GLU A 17 1.953 15.274 -3.330 1.00 0.00 C ATOM 242 CG GLU A 17 3.278 15.677 -2.663 1.00 0.00 C ATOM 243 CD GLU A 17 4.179 16.473 -3.606 1.00 0.00 C ATOM 244 OE1 GLU A 17 4.319 16.042 -4.773 1.00 0.00 O ATOM 245 OE2 GLU A 17 4.723 17.497 -3.140 1.00 0.00 O ATOM 0 H GLU A 17 2.473 13.055 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 17 0.687 15.187 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.166 14.639 -4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.458 16.168 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.069 16.272 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.803 14.781 -2.331 1.00 0.00 H new ATOM 252 N SER A 18 -0.768 12.894 -3.014 1.00 0.00 N ATOM 253 CA SER A 18 -1.985 12.502 -3.713 1.00 0.00 C ATOM 254 C SER A 18 -3.171 13.306 -3.171 1.00 0.00 C ATOM 255 O SER A 18 -3.178 13.715 -2.010 1.00 0.00 O ATOM 256 CB SER A 18 -2.235 11.004 -3.541 1.00 0.00 C ATOM 257 OG SER A 18 -3.361 10.592 -4.298 1.00 0.00 O ATOM 0 H SER A 18 -0.349 12.164 -2.438 1.00 0.00 H new ATOM 0 HA SER A 18 -1.870 12.711 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.354 10.445 -3.857 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.396 10.776 -2.487 1.00 0.00 H new ATOM 0 HG SER A 18 -4.124 10.450 -3.699 1.00 0.00 H new ATOM 263 N SER A 19 -4.186 13.510 -4.010 1.00 0.00 N ATOM 264 CA SER A 19 -5.400 14.222 -3.661 1.00 0.00 C ATOM 265 C SER A 19 -6.299 13.271 -2.875 1.00 0.00 C ATOM 266 O SER A 19 -6.576 13.477 -1.696 1.00 0.00 O ATOM 267 CB SER A 19 -6.064 14.670 -4.967 1.00 0.00 C ATOM 268 OG SER A 19 -6.034 13.594 -5.895 1.00 0.00 O ATOM 0 H SER A 19 -4.180 13.174 -4.973 1.00 0.00 H new ATOM 0 HA SER A 19 -5.203 15.099 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.093 14.977 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.543 15.535 -5.377 1.00 0.00 H new ATOM 0 HG SER A 19 -6.944 13.259 -6.038 1.00 0.00 H new ATOM 274 N VAL A 20 -6.744 12.212 -3.550 1.00 0.00 N ATOM 275 CA VAL A 20 -7.555 11.169 -2.941 1.00 0.00 C ATOM 276 C VAL A 20 -6.616 10.241 -2.153 1.00 0.00 C ATOM 277 O VAL A 20 -5.423 10.191 -2.467 1.00 0.00 O ATOM 278 CB VAL A 20 -8.335 10.393 -4.021 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.309 11.324 -4.754 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.430 9.689 -5.045 1.00 0.00 C ATOM 0 H VAL A 20 -6.549 12.057 -4.539 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.292 11.603 -2.266 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.884 9.614 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.851 10.759 -5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.017 11.745 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.752 12.131 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.046 9.163 -5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.815 10.429 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.787 8.975 -4.531 1.00 0.00 H new ATOM 290 N PRO A 21 -7.114 9.533 -1.123 1.00 0.00 N ATOM 291 CA PRO A 21 -6.321 8.579 -0.363 1.00 0.00 C ATOM 292 C PRO A 21 -5.639 7.545 -1.251 1.00 0.00 C ATOM 293 O PRO A 21 -6.000 7.373 -2.412 1.00 0.00 O ATOM 294 CB PRO A 21 -7.282 7.901 0.609 1.00 0.00 C ATOM 295 CG PRO A 21 -8.354 8.958 0.825 1.00 0.00 C ATOM 296 CD PRO A 21 -8.418 9.713 -0.506 1.00 0.00 C ATOM 0 HA PRO A 21 -5.514 9.097 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.698 6.984 0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.788 7.631 1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.314 8.505 1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.095 9.624 1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.210 9.318 -1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.633 10.770 -0.347 1.00 0.00 H new ATOM 304 N VAL A 22 -4.662 6.836 -0.686 1.00 0.00 N ATOM 305 CA VAL A 22 -3.822 5.891 -1.392 1.00 0.00 C ATOM 306 C VAL A 22 -3.459 4.692 -0.511 1.00 0.00 C ATOM 307 O VAL A 22 -3.220 4.864 0.680 1.00 0.00 O ATOM 308 CB VAL A 22 -2.528 6.611 -1.804 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.753 5.708 -2.753 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.760 7.973 -2.465 1.00 0.00 C ATOM 0 H VAL A 22 -4.433 6.911 0.305 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.367 5.521 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.967 6.811 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.831 6.204 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.513 4.772 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.360 5.501 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.800 8.419 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.358 7.843 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.287 8.629 -1.772 1.00 0.00 H new ATOM 320 N LEU A 23 -3.375 3.496 -1.102 1.00 0.00 N ATOM 321 CA LEU A 23 -2.927 2.260 -0.471 1.00 0.00 C ATOM 322 C LEU A 23 -1.510 1.971 -0.970 1.00 0.00 C ATOM 323 O LEU A 23 -1.284 2.011 -2.177 1.00 0.00 O ATOM 324 CB LEU A 23 -3.878 1.121 -0.866 1.00 0.00 C ATOM 325 CG LEU A 23 -3.629 -0.178 -0.078 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.963 -0.861 0.246 1.00 0.00 C ATOM 327 CD2 LEU A 23 -2.768 -1.154 -0.890 1.00 0.00 C ATOM 0 H LEU A 23 -3.631 3.362 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.927 2.349 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.907 1.444 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.769 0.919 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.107 0.086 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.776 -1.779 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.578 -0.191 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.484 -1.099 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.606 -2.064 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.278 -1.401 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.807 -0.691 -1.115 1.00 0.00 H new ATOM 339 N VAL A 24 -0.555 1.694 -0.078 1.00 0.00 N ATOM 340 CA VAL A 24 0.821 1.404 -0.464 1.00 0.00 C ATOM 341 C VAL A 24 1.238 0.056 0.111 1.00 0.00 C ATOM 342 O VAL A 24 1.395 -0.063 1.327 1.00 0.00 O ATOM 343 CB VAL A 24 1.766 2.512 0.020 1.00 0.00 C ATOM 344 CG1 VAL A 24 3.211 2.218 -0.414 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.348 3.856 -0.579 1.00 0.00 C ATOM 0 H VAL A 24 -0.717 1.665 0.929 1.00 0.00 H new ATOM 0 HA VAL A 24 0.882 1.363 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 24 1.710 2.550 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.866 3.015 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.533 1.268 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.260 2.162 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.024 4.636 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.391 3.799 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.330 4.092 -0.268 1.00 0.00 H new ATOM 355 N ASP A 25 1.433 -0.947 -0.751 1.00 0.00 N ATOM 356 CA ASP A 25 1.944 -2.239 -0.314 1.00 0.00 C ATOM 357 C ASP A 25 3.467 -2.192 -0.394 1.00 0.00 C ATOM 358 O ASP A 25 4.015 -2.009 -1.479 1.00 0.00 O ATOM 359 CB ASP A 25 1.402 -3.386 -1.175 1.00 0.00 C ATOM 360 CG ASP A 25 2.017 -4.725 -0.758 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.172 -4.932 0.467 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.328 -5.517 -1.673 1.00 0.00 O ATOM 0 H ASP A 25 1.244 -0.884 -1.751 1.00 0.00 H new ATOM 0 HA ASP A 25 1.616 -2.429 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.317 -3.435 -1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.622 -3.192 -2.225 1.00 0.00 H new ATOM 367 N PHE A 26 4.166 -2.310 0.732 1.00 0.00 N ATOM 368 CA PHE A 26 5.620 -2.371 0.720 1.00 0.00 C ATOM 369 C PHE A 26 5.973 -3.805 0.344 1.00 0.00 C ATOM 370 O PHE A 26 5.648 -4.718 1.104 1.00 0.00 O ATOM 371 CB PHE A 26 6.190 -1.988 2.087 1.00 0.00 C ATOM 372 CG PHE A 26 6.234 -0.493 2.346 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.048 0.260 2.449 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.476 0.146 2.517 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.111 1.629 2.758 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.530 1.487 2.933 1.00 0.00 C ATOM 377 CZ PHE A 26 6.343 2.223 3.083 1.00 0.00 C ATOM 0 H PHE A 26 3.748 -2.365 1.661 1.00 0.00 H new ATOM 0 HA PHE A 26 6.049 -1.666 0.008 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.591 -2.463 2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.199 -2.390 2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.091 -0.215 2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.391 -0.396 2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.211 2.226 2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.483 1.951 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.377 3.240 3.446 1.00 0.00 H new ATOM 387 N TRP A 27 6.598 -4.000 -0.822 1.00 0.00 N ATOM 388 CA TRP A 27 6.905 -5.321 -1.354 1.00 0.00 C ATOM 389 C TRP A 27 8.368 -5.435 -1.768 1.00 0.00 C ATOM 390 O TRP A 27 9.165 -4.523 -1.569 1.00 0.00 O ATOM 391 CB TRP A 27 6.009 -5.594 -2.568 1.00 0.00 C ATOM 392 CG TRP A 27 6.362 -4.797 -3.782 1.00 0.00 C ATOM 393 CD1 TRP A 27 6.145 -3.477 -3.936 1.00 0.00 C ATOM 394 CD2 TRP A 27 7.128 -5.209 -4.947 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.742 -3.025 -5.095 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.403 -4.054 -5.735 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.650 -6.439 -5.399 1.00 0.00 C ATOM 398 CZ2 TRP A 27 8.194 -4.114 -6.889 1.00 0.00 C ATOM 399 CZ3 TRP A 27 8.446 -6.507 -6.558 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.718 -5.348 -7.303 1.00 0.00 C ATOM 0 H TRP A 27 6.905 -3.236 -1.424 1.00 0.00 H new ATOM 0 HA TRP A 27 6.720 -6.055 -0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.064 -6.654 -2.815 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.975 -5.383 -2.297 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.584 -2.860 -3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.701 -2.063 -5.432 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.436 -7.342 -4.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.399 -3.218 -7.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.850 -7.457 -6.876 1.00 0.00 H new ATOM 0 HH2 TRP A 27 9.329 -5.406 -8.192 1.00 0.00 H new ATOM 411 N ALA A 28 8.722 -6.555 -2.390 1.00 0.00 N ATOM 412 CA ALA A 28 10.036 -6.811 -2.958 1.00 0.00 C ATOM 413 C ALA A 28 9.895 -8.063 -3.829 1.00 0.00 C ATOM 414 O ALA A 28 8.979 -8.848 -3.590 1.00 0.00 O ATOM 415 CB ALA A 28 11.057 -7.037 -1.836 1.00 0.00 C ATOM 0 H ALA A 28 8.077 -7.335 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 28 10.389 -5.967 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.038 -7.228 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.106 -6.150 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.753 -7.894 -1.235 1.00 0.00 H new ATOM 421 N PRO A 29 10.753 -8.296 -4.830 1.00 0.00 N ATOM 422 CA PRO A 29 10.642 -9.465 -5.691 1.00 0.00 C ATOM 423 C PRO A 29 10.739 -10.749 -4.871 1.00 0.00 C ATOM 424 O PRO A 29 9.985 -11.692 -5.093 1.00 0.00 O ATOM 425 CB PRO A 29 11.757 -9.325 -6.728 1.00 0.00 C ATOM 426 CG PRO A 29 12.763 -8.379 -6.071 1.00 0.00 C ATOM 427 CD PRO A 29 11.882 -7.477 -5.210 1.00 0.00 C ATOM 0 HA PRO A 29 9.676 -9.524 -6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.209 -10.289 -6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.380 -8.917 -7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.493 -8.921 -5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.322 -7.808 -6.812 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.422 -7.121 -4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.560 -6.596 -5.765 1.00 0.00 H new ATOM 435 N TRP A 30 11.642 -10.763 -3.889 1.00 0.00 N ATOM 436 CA TRP A 30 11.802 -11.885 -2.981 1.00 0.00 C ATOM 437 C TRP A 30 10.635 -11.978 -1.991 1.00 0.00 C ATOM 438 O TRP A 30 10.518 -12.977 -1.284 1.00 0.00 O ATOM 439 CB TRP A 30 13.135 -11.743 -2.241 1.00 0.00 C ATOM 440 CG TRP A 30 13.367 -10.441 -1.533 1.00 0.00 C ATOM 441 CD1 TRP A 30 14.120 -9.425 -2.009 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.868 -9.989 -0.235 1.00 0.00 C ATOM 443 NE1 TRP A 30 14.163 -8.402 -1.089 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.394 -8.688 0.020 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.018 -10.537 0.751 1.00 0.00 C ATOM 446 CZ2 TRP A 30 13.094 -7.970 1.188 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.700 -9.822 1.920 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.231 -8.539 2.138 1.00 0.00 C ATOM 0 H TRP A 30 12.282 -9.990 -3.706 1.00 0.00 H new ATOM 0 HA TRP A 30 11.803 -12.809 -3.559 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.208 -12.548 -1.509 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.942 -11.891 -2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.615 -9.417 -2.969 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.696 -7.541 -1.212 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.604 -11.524 0.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.522 -6.992 1.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.043 -10.262 2.655 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.976 -7.992 3.034 1.00 0.00 H new ATOM 459 N CYS A 31 9.755 -10.974 -1.909 1.00 0.00 N ATOM 460 CA CYS A 31 8.639 -11.044 -0.973 1.00 0.00 C ATOM 461 C CYS A 31 7.555 -11.983 -1.513 1.00 0.00 C ATOM 462 O CYS A 31 6.565 -11.542 -2.095 1.00 0.00 O ATOM 463 CB CYS A 31 8.064 -9.660 -0.695 1.00 0.00 C ATOM 464 SG CYS A 31 6.659 -9.742 0.430 1.00 0.00 S ATOM 0 H CYS A 31 9.795 -10.122 -2.469 1.00 0.00 H new ATOM 0 HA CYS A 31 9.010 -11.443 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.838 -9.023 -0.267 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.754 -9.199 -1.633 1.00 0.00 H new ATOM 469 N GLY A 32 7.745 -13.287 -1.302 1.00 0.00 N ATOM 470 CA GLY A 32 6.822 -14.341 -1.712 1.00 0.00 C ATOM 471 C GLY A 32 5.344 -13.950 -1.572 1.00 0.00 C ATOM 472 O GLY A 32 4.633 -13.915 -2.578 1.00 0.00 O ATOM 0 H GLY A 32 8.572 -13.647 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.023 -14.605 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.012 -15.232 -1.114 1.00 0.00 H new ATOM 476 N PRO A 33 4.860 -13.643 -0.353 1.00 0.00 N ATOM 477 CA PRO A 33 3.474 -13.263 -0.139 1.00 0.00 C ATOM 478 C PRO A 33 3.059 -12.071 -0.994 1.00 0.00 C ATOM 479 O PRO A 33 1.963 -12.061 -1.539 1.00 0.00 O ATOM 480 CB PRO A 33 3.340 -12.934 1.347 1.00 0.00 C ATOM 481 CG PRO A 33 4.481 -13.708 1.994 1.00 0.00 C ATOM 482 CD PRO A 33 5.571 -13.691 0.917 1.00 0.00 C ATOM 0 HA PRO A 33 2.815 -14.080 -0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.429 -11.863 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.372 -13.245 1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.818 -13.233 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.184 -14.725 2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.225 -12.827 1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.201 -14.578 0.981 1.00 0.00 H new ATOM 490 N CYS A 34 3.928 -11.068 -1.118 1.00 0.00 N ATOM 491 CA CYS A 34 3.630 -9.859 -1.878 1.00 0.00 C ATOM 492 C CYS A 34 3.225 -10.232 -3.300 1.00 0.00 C ATOM 493 O CYS A 34 2.216 -9.750 -3.809 1.00 0.00 O ATOM 494 CB CYS A 34 4.807 -8.896 -1.911 1.00 0.00 C ATOM 495 SG CYS A 34 5.383 -8.283 -0.312 1.00 0.00 S ATOM 0 H CYS A 34 4.856 -11.073 -0.695 1.00 0.00 H new ATOM 0 HA CYS A 34 2.806 -9.350 -1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.641 -9.391 -2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.532 -8.040 -2.527 1.00 0.00 H new ATOM 500 N ARG A 35 4.008 -11.108 -3.935 1.00 0.00 N ATOM 501 CA ARG A 35 3.761 -11.536 -5.301 1.00 0.00 C ATOM 502 C ARG A 35 2.358 -12.122 -5.459 1.00 0.00 C ATOM 503 O ARG A 35 1.612 -11.709 -6.342 1.00 0.00 O ATOM 504 CB ARG A 35 4.820 -12.566 -5.718 1.00 0.00 C ATOM 505 CG ARG A 35 6.275 -12.088 -5.588 1.00 0.00 C ATOM 506 CD ARG A 35 6.515 -10.689 -6.165 1.00 0.00 C ATOM 507 NE ARG A 35 6.077 -10.606 -7.565 1.00 0.00 N ATOM 508 CZ ARG A 35 5.838 -9.470 -8.235 1.00 0.00 C ATOM 509 NH1 ARG A 35 6.033 -8.283 -7.652 1.00 0.00 N ATOM 510 NH2 ARG A 35 5.403 -9.531 -9.497 1.00 0.00 N ATOM 0 H ARG A 35 4.830 -11.537 -3.510 1.00 0.00 H new ATOM 0 HA ARG A 35 3.827 -10.663 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.692 -13.463 -5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.638 -12.853 -6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.557 -12.091 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.929 -12.798 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.978 -9.951 -5.569 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.575 -10.443 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 35 5.944 -11.484 -8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.366 -8.236 -6.689 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.848 -7.424 -8.170 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.256 -10.437 -9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.218 -8.672 -10.015 1.00 0.00 H new ATOM 524 N ILE A 36 1.997 -13.089 -4.614 1.00 0.00 N ATOM 525 CA ILE A 36 0.698 -13.748 -4.722 1.00 0.00 C ATOM 526 C ILE A 36 -0.446 -12.839 -4.253 1.00 0.00 C ATOM 527 O ILE A 36 -1.561 -12.977 -4.746 1.00 0.00 O ATOM 528 CB ILE A 36 0.713 -15.097 -3.984 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.107 -14.930 -2.511 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.693 -16.047 -4.688 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.699 -16.119 -1.651 1.00 0.00 C ATOM 0 H ILE A 36 2.583 -13.430 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 36 0.510 -13.952 -5.776 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.293 -15.515 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.186 -14.791 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.643 -14.026 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.707 -17.005 -4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.375 -16.198 -5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.693 -15.613 -4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.004 -15.944 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.383 -16.244 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.184 -17.021 -2.024 1.00 0.00 H new ATOM 543 N ILE A 37 -0.196 -11.933 -3.302 1.00 0.00 N ATOM 544 CA ILE A 37 -1.189 -10.980 -2.798 1.00 0.00 C ATOM 545 C ILE A 37 -1.369 -9.815 -3.794 1.00 0.00 C ATOM 546 O ILE A 37 -2.427 -9.197 -3.817 1.00 0.00 O ATOM 547 CB ILE A 37 -0.801 -10.523 -1.369 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.903 -11.719 -0.400 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.728 -9.425 -0.824 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.265 -11.453 0.967 1.00 0.00 C ATOM 0 H ILE A 37 0.716 -11.840 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.164 -11.460 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 37 0.214 -10.130 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.953 -11.974 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.423 -12.586 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.409 -9.144 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.682 -8.553 -1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.752 -9.798 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.373 -12.336 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.794 -11.228 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.761 -10.606 1.441 1.00 0.00 H new ATOM 562 N ALA A 38 -0.402 -9.512 -4.663 1.00 0.00 N ATOM 563 CA ALA A 38 -0.487 -8.440 -5.664 1.00 0.00 C ATOM 564 C ALA A 38 -1.864 -8.299 -6.359 1.00 0.00 C ATOM 565 O ALA A 38 -2.358 -7.177 -6.469 1.00 0.00 O ATOM 566 CB ALA A 38 0.620 -8.621 -6.709 1.00 0.00 C ATOM 0 H ALA A 38 0.484 -10.016 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.353 -7.510 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.554 -7.824 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.593 -8.582 -6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.501 -9.586 -7.202 1.00 0.00 H new ATOM 572 N PRO A 39 -2.520 -9.373 -6.837 1.00 0.00 N ATOM 573 CA PRO A 39 -3.832 -9.273 -7.466 1.00 0.00 C ATOM 574 C PRO A 39 -4.857 -8.732 -6.466 1.00 0.00 C ATOM 575 O PRO A 39 -5.735 -7.952 -6.822 1.00 0.00 O ATOM 576 CB PRO A 39 -4.208 -10.691 -7.922 1.00 0.00 C ATOM 577 CG PRO A 39 -2.896 -11.471 -7.839 1.00 0.00 C ATOM 578 CD PRO A 39 -2.186 -10.771 -6.687 1.00 0.00 C ATOM 0 HA PRO A 39 -3.816 -8.587 -8.313 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.972 -11.127 -7.278 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.608 -10.691 -8.936 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.062 -12.529 -7.634 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.326 -11.412 -8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.522 -11.156 -5.724 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.108 -10.927 -6.734 1.00 0.00 H new ATOM 586 N VAL A 40 -4.729 -9.152 -5.204 1.00 0.00 N ATOM 587 CA VAL A 40 -5.575 -8.713 -4.113 1.00 0.00 C ATOM 588 C VAL A 40 -5.340 -7.212 -3.912 1.00 0.00 C ATOM 589 O VAL A 40 -6.302 -6.445 -3.859 1.00 0.00 O ATOM 590 CB VAL A 40 -5.288 -9.539 -2.847 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.207 -9.105 -1.715 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.471 -11.041 -3.105 1.00 0.00 C ATOM 0 H VAL A 40 -4.016 -9.822 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.629 -8.872 -4.342 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.250 -9.361 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.993 -9.697 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.042 -8.050 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.245 -9.256 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.261 -11.596 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.497 -11.234 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.786 -11.362 -3.890 1.00 0.00 H new ATOM 602 N VAL A 41 -4.066 -6.795 -3.831 1.00 0.00 N ATOM 603 CA VAL A 41 -3.687 -5.384 -3.702 1.00 0.00 C ATOM 604 C VAL A 41 -4.420 -4.574 -4.779 1.00 0.00 C ATOM 605 O VAL A 41 -4.969 -3.507 -4.502 1.00 0.00 O ATOM 606 CB VAL A 41 -2.153 -5.196 -3.825 1.00 0.00 C ATOM 607 CG1 VAL A 41 -1.745 -3.721 -3.717 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.371 -6.004 -2.786 1.00 0.00 C ATOM 0 H VAL A 41 -3.269 -7.432 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.975 -5.028 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.898 -5.570 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.662 -3.635 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.223 -3.152 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.060 -3.326 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.303 -5.833 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.665 -5.690 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.587 -7.065 -2.912 1.00 0.00 H new ATOM 618 N ASP A 42 -4.433 -5.093 -6.010 1.00 0.00 N ATOM 619 CA ASP A 42 -5.077 -4.435 -7.134 1.00 0.00 C ATOM 620 C ASP A 42 -6.600 -4.407 -7.009 1.00 0.00 C ATOM 621 O ASP A 42 -7.200 -3.337 -6.966 1.00 0.00 O ATOM 622 CB ASP A 42 -4.670 -5.135 -8.431 1.00 0.00 C ATOM 623 CG ASP A 42 -5.028 -4.272 -9.629 1.00 0.00 C ATOM 624 OD1 ASP A 42 -4.441 -3.176 -9.752 1.00 0.00 O ATOM 625 OD2 ASP A 42 -5.877 -4.701 -10.438 1.00 0.00 O ATOM 0 H ASP A 42 -3.995 -5.983 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.743 -3.397 -7.142 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.598 -5.334 -8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.173 -6.099 -8.505 1.00 0.00 H new ATOM 630 N GLU A 43 -7.247 -5.570 -6.973 1.00 0.00 N ATOM 631 CA GLU A 43 -8.703 -5.630 -6.963 1.00 0.00 C ATOM 632 C GLU A 43 -9.307 -4.877 -5.772 1.00 0.00 C ATOM 633 O GLU A 43 -10.324 -4.200 -5.932 1.00 0.00 O ATOM 634 CB GLU A 43 -9.173 -7.085 -7.025 1.00 0.00 C ATOM 635 CG GLU A 43 -9.097 -7.807 -5.677 1.00 0.00 C ATOM 636 CD GLU A 43 -9.343 -9.302 -5.818 1.00 0.00 C ATOM 637 OE1 GLU A 43 -8.395 -9.995 -6.246 1.00 0.00 O ATOM 638 OE2 GLU A 43 -10.467 -9.731 -5.476 1.00 0.00 O ATOM 0 H GLU A 43 -6.786 -6.480 -6.950 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.067 -5.119 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.201 -7.112 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.566 -7.624 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.116 -7.641 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.833 -7.381 -4.995 1.00 0.00 H new ATOM 645 N ILE A 44 -8.699 -4.982 -4.582 1.00 0.00 N ATOM 646 CA ILE A 44 -9.196 -4.253 -3.420 1.00 0.00 C ATOM 647 C ILE A 44 -9.154 -2.764 -3.740 1.00 0.00 C ATOM 648 O ILE A 44 -10.064 -2.029 -3.364 1.00 0.00 O ATOM 649 CB ILE A 44 -8.405 -4.621 -2.151 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.795 -6.060 -1.764 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.727 -3.662 -0.992 1.00 0.00 C ATOM 652 CD1 ILE A 44 -8.156 -6.530 -0.456 1.00 0.00 C ATOM 0 H ILE A 44 -7.875 -5.557 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.228 -4.532 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.336 -4.542 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.879 -6.123 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.502 -6.737 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.152 -3.949 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.466 -2.643 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.791 -3.713 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.473 -7.551 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.070 -6.499 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.469 -5.876 0.358 1.00 0.00 H new ATOM 664 N ALA A 45 -8.117 -2.301 -4.442 1.00 0.00 N ATOM 665 CA ALA A 45 -8.079 -0.915 -4.866 1.00 0.00 C ATOM 666 C ALA A 45 -9.255 -0.664 -5.797 1.00 0.00 C ATOM 667 O ALA A 45 -10.035 0.245 -5.546 1.00 0.00 O ATOM 668 CB ALA A 45 -6.767 -0.605 -5.569 1.00 0.00 C ATOM 0 H ALA A 45 -7.310 -2.860 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.150 -0.262 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.758 0.440 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.937 -0.788 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.664 -1.245 -6.446 1.00 0.00 H new ATOM 674 N GLY A 46 -9.404 -1.496 -6.834 1.00 0.00 N ATOM 675 CA GLY A 46 -10.491 -1.404 -7.800 1.00 0.00 C ATOM 676 C GLY A 46 -11.832 -1.149 -7.114 1.00 0.00 C ATOM 677 O GLY A 46 -12.518 -0.177 -7.434 1.00 0.00 O ATOM 0 H GLY A 46 -8.759 -2.263 -7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.284 -0.600 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.546 -2.328 -8.376 1.00 0.00 H new ATOM 681 N GLU A 47 -12.175 -1.998 -6.140 1.00 0.00 N ATOM 682 CA GLU A 47 -13.401 -1.897 -5.358 1.00 0.00 C ATOM 683 C GLU A 47 -13.654 -0.480 -4.826 1.00 0.00 C ATOM 684 O GLU A 47 -14.806 -0.063 -4.727 1.00 0.00 O ATOM 685 CB GLU A 47 -13.321 -2.881 -4.186 1.00 0.00 C ATOM 686 CG GLU A 47 -13.536 -4.333 -4.643 1.00 0.00 C ATOM 687 CD GLU A 47 -13.507 -5.333 -3.487 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.682 -5.133 -2.568 1.00 0.00 O ATOM 689 OE2 GLU A 47 -14.308 -6.291 -3.554 1.00 0.00 O ATOM 0 H GLU A 47 -11.592 -2.790 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.235 -2.140 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.348 -2.792 -3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.072 -2.620 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.494 -4.408 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.764 -4.599 -5.366 1.00 0.00 H new ATOM 696 N TYR A 48 -12.587 0.239 -4.464 1.00 0.00 N ATOM 697 CA TYR A 48 -12.624 1.593 -3.913 1.00 0.00 C ATOM 698 C TYR A 48 -11.851 2.606 -4.776 1.00 0.00 C ATOM 699 O TYR A 48 -11.412 3.625 -4.244 1.00 0.00 O ATOM 700 CB TYR A 48 -12.010 1.552 -2.504 1.00 0.00 C ATOM 701 CG TYR A 48 -12.556 0.476 -1.587 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.914 0.488 -1.220 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.710 -0.543 -1.110 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.428 -0.524 -0.391 1.00 0.00 C ATOM 705 CE2 TYR A 48 -12.231 -1.566 -0.302 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.586 -1.555 0.057 1.00 0.00 C ATOM 707 OH TYR A 48 -14.086 -2.588 0.783 1.00 0.00 O ATOM 0 H TYR A 48 -11.637 -0.123 -4.551 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.663 1.923 -3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.933 1.412 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.165 2.522 -2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.562 1.275 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.661 -0.538 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.468 -0.509 -0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.588 -2.362 0.043 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.989 -2.364 1.092 1.00 0.00 H new ATOM 717 N LYS A 49 -11.721 2.372 -6.090 1.00 0.00 N ATOM 718 CA LYS A 49 -10.896 3.167 -7.006 1.00 0.00 C ATOM 719 C LYS A 49 -10.951 4.676 -6.737 1.00 0.00 C ATOM 720 O LYS A 49 -9.921 5.332 -6.608 1.00 0.00 O ATOM 721 CB LYS A 49 -11.326 2.847 -8.447 1.00 0.00 C ATOM 722 CG LYS A 49 -10.557 3.663 -9.498 1.00 0.00 C ATOM 723 CD LYS A 49 -10.923 3.182 -10.908 1.00 0.00 C ATOM 724 CE LYS A 49 -10.432 4.153 -11.991 1.00 0.00 C ATOM 725 NZ LYS A 49 -8.970 4.334 -11.955 1.00 0.00 N ATOM 0 H LYS A 49 -12.201 1.602 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.855 2.890 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.175 1.785 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.393 3.041 -8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.794 4.722 -9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.484 3.559 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.488 2.197 -11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.005 3.071 -10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.726 3.779 -12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.919 5.119 -11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.672 4.915 -12.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.701 4.809 -11.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.504 3.406 -12.006 1.00 0.00 H new ATOM 739 N ASP A 50 -12.163 5.224 -6.687 1.00 0.00 N ATOM 740 CA ASP A 50 -12.410 6.644 -6.467 1.00 0.00 C ATOM 741 C ASP A 50 -11.767 7.152 -5.178 1.00 0.00 C ATOM 742 O ASP A 50 -11.038 8.140 -5.156 1.00 0.00 O ATOM 743 CB ASP A 50 -13.924 6.847 -6.370 1.00 0.00 C ATOM 744 CG ASP A 50 -14.276 8.304 -6.090 1.00 0.00 C ATOM 745 OD1 ASP A 50 -14.221 9.096 -7.055 1.00 0.00 O ATOM 746 OD2 ASP A 50 -14.595 8.590 -4.916 1.00 0.00 O ATOM 0 H ASP A 50 -13.018 4.680 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.973 7.201 -7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.395 6.530 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.327 6.216 -5.578 1.00 0.00 H new ATOM 751 N LYS A 51 -12.089 6.452 -4.096 1.00 0.00 N ATOM 752 CA LYS A 51 -11.721 6.802 -2.738 1.00 0.00 C ATOM 753 C LYS A 51 -10.279 6.421 -2.397 1.00 0.00 C ATOM 754 O LYS A 51 -9.734 6.937 -1.425 1.00 0.00 O ATOM 755 CB LYS A 51 -12.665 6.048 -1.787 1.00 0.00 C ATOM 756 CG LYS A 51 -14.159 6.325 -2.028 1.00 0.00 C ATOM 757 CD LYS A 51 -15.050 5.251 -1.382 1.00 0.00 C ATOM 758 CE LYS A 51 -14.999 5.218 0.151 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.521 6.460 0.746 1.00 0.00 N ATOM 0 H LYS A 51 -12.635 5.592 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.803 7.884 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.485 4.978 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.418 6.317 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.417 7.303 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.354 6.362 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.081 5.416 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.754 4.274 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.579 4.370 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.970 5.064 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.912 6.256 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.751 7.153 0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.269 6.849 0.137 1.00 0.00 H new ATOM 773 N LEU A 52 -9.681 5.494 -3.147 1.00 0.00 N ATOM 774 CA LEU A 52 -8.397 4.915 -2.794 1.00 0.00 C ATOM 775 C LEU A 52 -7.545 4.613 -4.030 1.00 0.00 C ATOM 776 O LEU A 52 -7.884 3.727 -4.814 1.00 0.00 O ATOM 777 CB LEU A 52 -8.724 3.627 -2.019 1.00 0.00 C ATOM 778 CG LEU A 52 -7.541 2.877 -1.396 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.013 3.623 -0.167 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.021 1.483 -0.974 1.00 0.00 C ATOM 0 H LEU A 52 -10.077 5.128 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.806 5.610 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.425 3.878 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.241 2.946 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.736 2.804 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.174 3.073 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.683 4.619 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.806 3.708 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.193 0.933 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.826 1.580 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.386 0.944 -1.848 1.00 0.00 H new ATOM 792 N LYS A 53 -6.412 5.297 -4.191 1.00 0.00 N ATOM 793 CA LYS A 53 -5.434 4.966 -5.214 1.00 0.00 C ATOM 794 C LYS A 53 -4.653 3.778 -4.660 1.00 0.00 C ATOM 795 O LYS A 53 -4.781 3.457 -3.479 1.00 0.00 O ATOM 796 CB LYS A 53 -4.533 6.180 -5.489 1.00 0.00 C ATOM 797 CG LYS A 53 -4.695 6.706 -6.918 1.00 0.00 C ATOM 798 CD LYS A 53 -4.078 5.726 -7.931 1.00 0.00 C ATOM 799 CE LYS A 53 -4.089 6.306 -9.350 1.00 0.00 C ATOM 800 NZ LYS A 53 -5.460 6.552 -9.833 1.00 0.00 N ATOM 0 H LYS A 53 -6.151 6.096 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.892 4.709 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.770 6.975 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.492 5.904 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.752 6.849 -7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.215 7.681 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.054 5.496 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.633 4.788 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.526 7.239 -9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.584 5.618 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.428 6.863 -10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.015 5.675 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.905 7.291 -9.252 1.00 0.00 H new ATOM 814 N CYS A 54 -3.845 3.099 -5.471 1.00 0.00 N ATOM 815 CA CYS A 54 -3.121 1.947 -4.964 1.00 0.00 C ATOM 816 C CYS A 54 -1.768 1.848 -5.624 1.00 0.00 C ATOM 817 O CYS A 54 -1.622 2.162 -6.807 1.00 0.00 O ATOM 818 CB CYS A 54 -3.953 0.695 -5.162 1.00 0.00 C ATOM 819 SG CYS A 54 -2.994 -0.727 -4.618 1.00 0.00 S ATOM 0 H CYS A 54 -3.681 3.321 -6.453 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.945 2.061 -3.894 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.881 0.764 -4.594 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.228 0.586 -6.211 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.760 -1.777 -4.577 1.00 0.00 H new ATOM 825 N VAL A 55 -0.766 1.463 -4.837 1.00 0.00 N ATOM 826 CA VAL A 55 0.599 1.447 -5.301 1.00 0.00 C ATOM 827 C VAL A 55 1.398 0.406 -4.526 1.00 0.00 C ATOM 828 O VAL A 55 0.988 -0.054 -3.459 1.00 0.00 O ATOM 829 CB VAL A 55 1.222 2.856 -5.172 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.982 3.178 -6.458 1.00 0.00 C ATOM 831 CG2 VAL A 55 0.231 4.008 -4.927 1.00 0.00 C ATOM 0 H VAL A 55 -0.886 1.158 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 55 0.621 1.171 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 55 1.857 2.801 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.426 4.170 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.769 2.439 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.294 3.155 -7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.777 4.948 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.475 4.063 -5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.312 3.830 -3.999 1.00 0.00 H new ATOM 841 N LYS A 56 2.541 0.025 -5.093 1.00 0.00 N ATOM 842 CA LYS A 56 3.418 -0.993 -4.561 1.00 0.00 C ATOM 843 C LYS A 56 4.839 -0.437 -4.453 1.00 0.00 C ATOM 844 O LYS A 56 5.515 -0.220 -5.463 1.00 0.00 O ATOM 845 CB LYS A 56 3.318 -2.204 -5.486 1.00 0.00 C ATOM 846 CG LYS A 56 1.869 -2.702 -5.520 1.00 0.00 C ATOM 847 CD LYS A 56 1.773 -4.061 -6.205 1.00 0.00 C ATOM 848 CE LYS A 56 1.941 -3.915 -7.722 1.00 0.00 C ATOM 849 NZ LYS A 56 1.717 -5.197 -8.409 1.00 0.00 N ATOM 0 H LYS A 56 2.885 0.434 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 56 3.132 -1.299 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.645 -1.936 -6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.979 -2.998 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.482 -2.775 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.245 -1.980 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.540 -4.727 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.809 -4.519 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.239 -3.171 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.943 -3.550 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.837 -5.067 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.403 -5.899 -8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.752 -5.532 -8.213 1.00 0.00 H new ATOM 863 N LEU A 57 5.304 -0.208 -3.225 1.00 0.00 N ATOM 864 CA LEU A 57 6.628 0.362 -2.992 1.00 0.00 C ATOM 865 C LEU A 57 7.676 -0.739 -2.926 1.00 0.00 C ATOM 866 O LEU A 57 7.606 -1.638 -2.087 1.00 0.00 O ATOM 867 CB LEU A 57 6.664 1.208 -1.716 1.00 0.00 C ATOM 868 CG LEU A 57 8.013 1.944 -1.562 1.00 0.00 C ATOM 869 CD1 LEU A 57 7.932 3.396 -2.040 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.414 1.944 -0.094 1.00 0.00 C ATOM 0 H LEU A 57 4.780 -0.410 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 57 6.856 1.019 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.852 1.935 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.496 0.568 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 57 8.748 1.421 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.903 3.875 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.651 3.417 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.184 3.931 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.366 2.462 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.649 2.453 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.515 0.917 0.256 1.00 0.00 H new ATOM 882 N ASN A 58 8.676 -0.664 -3.809 1.00 0.00 N ATOM 883 CA ASN A 58 9.759 -1.634 -3.783 1.00 0.00 C ATOM 884 C ASN A 58 10.681 -1.329 -2.600 1.00 0.00 C ATOM 885 O ASN A 58 11.476 -0.398 -2.643 1.00 0.00 O ATOM 886 CB ASN A 58 10.521 -1.654 -5.105 1.00 0.00 C ATOM 887 CG ASN A 58 11.535 -2.795 -5.077 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.416 -2.830 -4.225 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.405 -3.767 -5.969 1.00 0.00 N ATOM 0 H ASN A 58 8.753 0.047 -4.536 1.00 0.00 H new ATOM 0 HA ASN A 58 9.341 -2.632 -3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.829 -1.786 -5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.029 -0.702 -5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.044 -4.562 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.666 -3.720 -6.670 1.00 0.00 H new ATOM 896 N THR A 59 10.585 -2.147 -1.558 1.00 0.00 N ATOM 897 CA THR A 59 11.289 -2.003 -0.291 1.00 0.00 C ATOM 898 C THR A 59 12.797 -2.158 -0.481 1.00 0.00 C ATOM 899 O THR A 59 13.580 -1.473 0.168 1.00 0.00 O ATOM 900 CB THR A 59 10.747 -3.054 0.690 1.00 0.00 C ATOM 901 OG1 THR A 59 9.334 -3.001 0.703 1.00 0.00 O ATOM 902 CG2 THR A 59 11.243 -2.817 2.118 1.00 0.00 C ATOM 0 H THR A 59 9.983 -2.970 -1.576 1.00 0.00 H new ATOM 0 HA THR A 59 11.119 -1.004 0.111 1.00 0.00 H new ATOM 0 HB THR A 59 11.105 -4.027 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.979 -3.567 -0.014 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.835 -3.583 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.332 -2.864 2.137 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.916 -1.834 2.458 1.00 0.00 H new ATOM 910 N ASP A 60 13.199 -3.046 -1.390 1.00 0.00 N ATOM 911 CA ASP A 60 14.593 -3.342 -1.695 1.00 0.00 C ATOM 912 C ASP A 60 15.274 -2.086 -2.252 1.00 0.00 C ATOM 913 O ASP A 60 16.415 -1.770 -1.925 1.00 0.00 O ATOM 914 CB ASP A 60 14.606 -4.502 -2.698 1.00 0.00 C ATOM 915 CG ASP A 60 15.877 -5.332 -2.611 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.905 -4.874 -3.150 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.772 -6.429 -2.015 1.00 0.00 O ATOM 0 H ASP A 60 12.544 -3.593 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 60 15.149 -3.635 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.744 -5.144 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.503 -4.106 -3.708 1.00 0.00 H new ATOM 922 N GLU A 61 14.517 -1.365 -3.084 1.00 0.00 N ATOM 923 CA GLU A 61 14.896 -0.105 -3.703 1.00 0.00 C ATOM 924 C GLU A 61 14.616 1.072 -2.755 1.00 0.00 C ATOM 925 O GLU A 61 15.200 2.142 -2.929 1.00 0.00 O ATOM 926 CB GLU A 61 14.093 0.047 -5.006 1.00 0.00 C ATOM 927 CG GLU A 61 14.736 1.018 -6.005 1.00 0.00 C ATOM 928 CD GLU A 61 15.957 0.406 -6.686 1.00 0.00 C ATOM 929 OE1 GLU A 61 15.741 -0.488 -7.533 1.00 0.00 O ATOM 930 OE2 GLU A 61 17.079 0.833 -6.341 1.00 0.00 O ATOM 0 H GLU A 61 13.580 -1.664 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 61 15.964 -0.103 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.988 -0.931 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.088 0.395 -4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.003 1.301 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.029 1.931 -5.487 1.00 0.00 H new ATOM 937 N SER A 62 13.716 0.893 -1.776 1.00 0.00 N ATOM 938 CA SER A 62 13.286 1.914 -0.829 1.00 0.00 C ATOM 939 C SER A 62 13.535 1.563 0.648 1.00 0.00 C ATOM 940 O SER A 62 12.627 1.708 1.470 1.00 0.00 O ATOM 941 CB SER A 62 11.793 2.150 -1.033 1.00 0.00 C ATOM 942 OG SER A 62 11.481 2.284 -2.402 1.00 0.00 O ATOM 0 H SER A 62 13.255 -0.004 -1.623 1.00 0.00 H new ATOM 0 HA SER A 62 13.885 2.802 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.229 1.319 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.488 3.049 -0.498 1.00 0.00 H new ATOM 0 HG SER A 62 11.407 1.396 -2.809 1.00 0.00 H new ATOM 948 N PRO A 63 14.758 1.161 1.020 1.00 0.00 N ATOM 949 CA PRO A 63 15.117 0.854 2.392 1.00 0.00 C ATOM 950 C PRO A 63 15.019 2.117 3.244 1.00 0.00 C ATOM 951 O PRO A 63 14.775 2.040 4.445 1.00 0.00 O ATOM 952 CB PRO A 63 16.546 0.309 2.338 1.00 0.00 C ATOM 953 CG PRO A 63 17.119 0.905 1.053 1.00 0.00 C ATOM 954 CD PRO A 63 15.897 1.018 0.145 1.00 0.00 C ATOM 0 HA PRO A 63 14.449 0.121 2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.123 0.613 3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.557 -0.781 2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.580 1.877 1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.885 0.263 0.618 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.986 1.875 -0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.796 0.134 -0.484 1.00 0.00 H new ATOM 962 N ASN A 64 15.203 3.279 2.613 1.00 0.00 N ATOM 963 CA ASN A 64 15.117 4.579 3.265 1.00 0.00 C ATOM 964 C ASN A 64 13.777 4.714 3.981 1.00 0.00 C ATOM 965 O ASN A 64 13.694 4.575 5.199 1.00 0.00 O ATOM 966 CB ASN A 64 15.265 5.699 2.231 1.00 0.00 C ATOM 967 CG ASN A 64 16.672 5.804 1.653 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.630 6.071 2.369 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.811 5.595 0.346 1.00 0.00 N ATOM 0 H ASN A 64 15.419 3.339 1.618 1.00 0.00 H new ATOM 0 HA ASN A 64 15.923 4.660 3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.558 5.530 1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.998 6.649 2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.734 5.655 -0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.995 5.374 -0.225 1.00 0.00 H new ATOM 976 N VAL A 65 12.718 4.948 3.209 1.00 0.00 N ATOM 977 CA VAL A 65 11.371 5.139 3.714 1.00 0.00 C ATOM 978 C VAL A 65 10.978 3.980 4.633 1.00 0.00 C ATOM 979 O VAL A 65 10.420 4.179 5.712 1.00 0.00 O ATOM 980 CB VAL A 65 10.459 5.293 2.489 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.983 5.197 2.859 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.729 6.661 1.845 1.00 0.00 C ATOM 0 H VAL A 65 12.780 5.010 2.193 1.00 0.00 H new ATOM 0 HA VAL A 65 11.283 6.032 4.332 1.00 0.00 H new ATOM 0 HB VAL A 65 10.680 4.481 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.375 5.312 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.784 4.225 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.734 5.985 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.088 6.785 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.518 7.451 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.774 6.719 1.539 1.00 0.00 H new ATOM 992 N ALA A 66 11.294 2.761 4.203 1.00 0.00 N ATOM 993 CA ALA A 66 10.998 1.555 4.968 1.00 0.00 C ATOM 994 C ALA A 66 11.616 1.606 6.373 1.00 0.00 C ATOM 995 O ALA A 66 10.944 1.290 7.356 1.00 0.00 O ATOM 996 CB ALA A 66 11.497 0.333 4.199 1.00 0.00 C ATOM 0 H ALA A 66 11.762 2.583 3.315 1.00 0.00 H new ATOM 0 HA ALA A 66 9.918 1.485 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.277 -0.570 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.997 0.283 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.573 0.413 4.047 1.00 0.00 H new ATOM 1002 N SER A 67 12.890 1.993 6.479 1.00 0.00 N ATOM 1003 CA SER A 67 13.580 2.088 7.760 1.00 0.00 C ATOM 1004 C SER A 67 13.037 3.267 8.568 1.00 0.00 C ATOM 1005 O SER A 67 12.853 3.143 9.775 1.00 0.00 O ATOM 1006 CB SER A 67 15.097 2.177 7.555 1.00 0.00 C ATOM 1007 OG SER A 67 15.468 3.302 6.786 1.00 0.00 O ATOM 0 H SER A 67 13.468 2.248 5.678 1.00 0.00 H new ATOM 0 HA SER A 67 13.389 1.181 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.591 2.224 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.449 1.271 7.062 1.00 0.00 H new ATOM 0 HG SER A 67 14.666 3.717 6.405 1.00 0.00 H new ATOM 1013 N GLU A 68 12.755 4.392 7.904 1.00 0.00 N ATOM 1014 CA GLU A 68 12.171 5.569 8.541 1.00 0.00 C ATOM 1015 C GLU A 68 10.851 5.193 9.223 1.00 0.00 C ATOM 1016 O GLU A 68 10.588 5.630 10.340 1.00 0.00 O ATOM 1017 CB GLU A 68 11.946 6.674 7.504 1.00 0.00 C ATOM 1018 CG GLU A 68 13.270 7.287 7.029 1.00 0.00 C ATOM 1019 CD GLU A 68 13.052 8.191 5.821 1.00 0.00 C ATOM 1020 OE1 GLU A 68 12.426 9.255 6.016 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.500 7.798 4.721 1.00 0.00 O ATOM 0 H GLU A 68 12.927 4.509 6.906 1.00 0.00 H new ATOM 0 HA GLU A 68 12.860 5.943 9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.407 6.266 6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.318 7.454 7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.721 7.860 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.971 6.493 6.771 1.00 0.00 H new ATOM 1028 N TYR A 69 10.033 4.369 8.561 1.00 0.00 N ATOM 1029 CA TYR A 69 8.776 3.902 9.137 1.00 0.00 C ATOM 1030 C TYR A 69 9.049 2.777 10.144 1.00 0.00 C ATOM 1031 O TYR A 69 8.314 2.634 11.117 1.00 0.00 O ATOM 1032 CB TYR A 69 7.844 3.414 8.017 1.00 0.00 C ATOM 1033 CG TYR A 69 7.030 4.518 7.371 1.00 0.00 C ATOM 1034 CD1 TYR A 69 6.112 5.257 8.142 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.181 4.808 6.003 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.429 6.345 7.573 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.486 5.888 5.432 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.649 6.684 6.229 1.00 0.00 C ATOM 1039 OH TYR A 69 5.045 7.785 5.702 1.00 0.00 O ATOM 0 H TYR A 69 10.223 4.013 7.624 1.00 0.00 H new ATOM 0 HA TYR A 69 8.289 4.724 9.662 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.441 2.920 7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.164 2.665 8.424 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.933 4.987 9.172 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.831 4.201 5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.736 6.920 8.169 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.596 6.105 4.380 1.00 0.00 H new ATOM 0 HH TYR A 69 4.346 7.506 5.075 1.00 0.00 H new ATOM 1049 N GLY A 70 10.094 1.982 9.914 1.00 0.00 N ATOM 1050 CA GLY A 70 10.520 0.919 10.813 1.00 0.00 C ATOM 1051 C GLY A 70 9.811 -0.384 10.475 1.00 0.00 C ATOM 1052 O GLY A 70 9.296 -1.077 11.351 1.00 0.00 O ATOM 0 H GLY A 70 10.677 2.064 9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.599 0.782 10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.305 1.199 11.844 1.00 0.00 H new ATOM 1056 N ILE A 71 9.787 -0.726 9.187 1.00 0.00 N ATOM 1057 CA ILE A 71 9.139 -1.942 8.724 1.00 0.00 C ATOM 1058 C ILE A 71 9.985 -3.149 9.131 1.00 0.00 C ATOM 1059 O ILE A 71 11.090 -3.338 8.625 1.00 0.00 O ATOM 1060 CB ILE A 71 8.928 -1.853 7.207 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.958 -0.689 6.950 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.362 -3.164 6.643 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.652 -0.529 5.470 1.00 0.00 C ATOM 0 H ILE A 71 10.213 -0.171 8.445 1.00 0.00 H new ATOM 0 HA ILE A 71 8.158 -2.062 9.184 1.00 0.00 H new ATOM 0 HB ILE A 71 9.880 -1.682 6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.031 -0.860 7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.389 0.235 7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.224 -3.067 5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.057 -3.978 6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.402 -3.378 7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.963 0.304 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.576 -0.332 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.197 -1.444 5.091 1.00 0.00 H new ATOM 1075 N ARG A 72 9.445 -3.994 10.011 1.00 0.00 N ATOM 1076 CA ARG A 72 10.156 -5.158 10.505 1.00 0.00 C ATOM 1077 C ARG A 72 10.121 -6.298 9.482 1.00 0.00 C ATOM 1078 O ARG A 72 11.037 -7.119 9.442 1.00 0.00 O ATOM 1079 CB ARG A 72 9.593 -5.592 11.874 1.00 0.00 C ATOM 1080 CG ARG A 72 8.243 -6.339 11.901 1.00 0.00 C ATOM 1081 CD ARG A 72 7.010 -5.491 12.257 1.00 0.00 C ATOM 1082 NE ARG A 72 6.689 -4.428 11.294 1.00 0.00 N ATOM 1083 CZ ARG A 72 6.214 -4.605 10.052 1.00 0.00 C ATOM 1084 NH1 ARG A 72 6.102 -5.823 9.520 1.00 0.00 N ATOM 1085 NH2 ARG A 72 5.855 -3.546 9.325 1.00 0.00 N ATOM 0 H ARG A 72 8.506 -3.885 10.395 1.00 0.00 H new ATOM 0 HA ARG A 72 11.203 -4.892 10.649 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.336 -6.229 12.353 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.493 -4.699 12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.080 -6.789 10.922 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.317 -7.156 12.619 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.147 -6.151 12.348 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.169 -5.038 13.236 1.00 0.00 H new ATOM 0 HE ARG A 72 6.842 -3.466 11.598 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.380 -6.643 10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.738 -5.935 8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.942 -2.607 9.714 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.493 -3.675 8.380 1.00 0.00 H new ATOM 1099 N SER A 73 9.067 -6.381 8.665 1.00 0.00 N ATOM 1100 CA SER A 73 8.907 -7.408 7.646 1.00 0.00 C ATOM 1101 C SER A 73 7.896 -6.917 6.614 1.00 0.00 C ATOM 1102 O SER A 73 7.073 -6.052 6.917 1.00 0.00 O ATOM 1103 CB SER A 73 8.412 -8.722 8.270 1.00 0.00 C ATOM 1104 OG SER A 73 9.166 -9.087 9.410 1.00 0.00 O ATOM 0 H SER A 73 8.290 -5.721 8.698 1.00 0.00 H new ATOM 0 HA SER A 73 9.870 -7.598 7.173 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.363 -8.618 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.468 -9.519 7.528 1.00 0.00 H new ATOM 0 HG SER A 73 8.818 -9.926 9.777 1.00 0.00 H new ATOM 1110 N ILE A 74 7.944 -7.479 5.407 1.00 0.00 N ATOM 1111 CA ILE A 74 7.019 -7.179 4.330 1.00 0.00 C ATOM 1112 C ILE A 74 6.326 -8.498 3.998 1.00 0.00 C ATOM 1113 O ILE A 74 6.937 -9.548 4.200 1.00 0.00 O ATOM 1114 CB ILE A 74 7.751 -6.567 3.126 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.971 -7.382 2.680 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.149 -5.128 3.480 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.541 -6.800 1.385 1.00 0.00 C ATOM 0 H ILE A 74 8.647 -8.172 5.151 1.00 0.00 H new ATOM 0 HA ILE A 74 6.283 -6.429 4.619 1.00 0.00 H new ATOM 0 HB ILE A 74 7.070 -6.576 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.732 -7.370 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.687 -8.423 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.671 -4.677 2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.254 -4.548 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.805 -5.136 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.407 -7.384 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.781 -6.835 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.842 -5.766 1.552 1.00 0.00 H new ATOM 1129 N PRO A 75 5.078 -8.498 3.514 1.00 0.00 N ATOM 1130 CA PRO A 75 4.252 -7.345 3.183 1.00 0.00 C ATOM 1131 C PRO A 75 3.822 -6.518 4.395 1.00 0.00 C ATOM 1132 O PRO A 75 3.615 -7.036 5.492 1.00 0.00 O ATOM 1133 CB PRO A 75 3.016 -7.907 2.483 1.00 0.00 C ATOM 1134 CG PRO A 75 2.927 -9.335 3.024 1.00 0.00 C ATOM 1135 CD PRO A 75 4.376 -9.735 3.258 1.00 0.00 C ATOM 0 HA PRO A 75 4.830 -6.661 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.122 -7.330 2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.126 -7.893 1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.348 -9.376 3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.440 -10.001 2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.464 -10.419 4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.788 -10.248 2.389 1.00 0.00 H new ATOM 1143 N THR A 76 3.718 -5.213 4.157 1.00 0.00 N ATOM 1144 CA THR A 76 3.232 -4.210 5.086 1.00 0.00 C ATOM 1145 C THR A 76 2.455 -3.236 4.205 1.00 0.00 C ATOM 1146 O THR A 76 3.043 -2.603 3.327 1.00 0.00 O ATOM 1147 CB THR A 76 4.386 -3.548 5.863 1.00 0.00 C ATOM 1148 OG1 THR A 76 4.915 -4.446 6.823 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.899 -2.317 6.633 1.00 0.00 C ATOM 0 H THR A 76 3.987 -4.810 3.259 1.00 0.00 H new ATOM 0 HA THR A 76 2.599 -4.625 5.871 1.00 0.00 H new ATOM 0 HB THR A 76 5.140 -3.266 5.128 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.744 -4.840 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.735 -1.871 7.172 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.488 -1.589 5.933 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.127 -2.614 7.343 1.00 0.00 H new ATOM 1157 N ILE A 77 1.136 -3.173 4.389 1.00 0.00 N ATOM 1158 CA ILE A 77 0.246 -2.343 3.603 1.00 0.00 C ATOM 1159 C ILE A 77 -0.073 -1.104 4.427 1.00 0.00 C ATOM 1160 O ILE A 77 -0.602 -1.232 5.530 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.023 -3.137 3.239 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.654 -4.325 2.329 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.022 -2.207 2.534 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -1.812 -5.308 2.125 1.00 0.00 C ATOM 0 H ILE A 77 0.653 -3.713 5.107 1.00 0.00 H new ATOM 0 HA ILE A 77 0.710 -2.039 2.664 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.484 -3.528 4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.332 -3.946 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.194 -4.856 2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.921 -2.767 2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.286 -1.385 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.570 -1.808 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.489 -6.121 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.119 -5.714 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.653 -4.789 1.665 1.00 0.00 H new ATOM 1176 N MET A 78 0.266 0.079 3.912 1.00 0.00 N ATOM 1177 CA MET A 78 -0.042 1.354 4.538 1.00 0.00 C ATOM 1178 C MET A 78 -1.183 2.021 3.783 1.00 0.00 C ATOM 1179 O MET A 78 -1.422 1.716 2.614 1.00 0.00 O ATOM 1180 CB MET A 78 1.170 2.284 4.514 1.00 0.00 C ATOM 1181 CG MET A 78 2.409 1.654 5.148 1.00 0.00 C ATOM 1182 SD MET A 78 3.722 2.823 5.577 1.00 0.00 S ATOM 1183 CE MET A 78 4.881 1.662 6.323 1.00 0.00 C ATOM 0 H MET A 78 0.772 0.173 3.031 1.00 0.00 H new ATOM 0 HA MET A 78 -0.323 1.167 5.574 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.393 2.556 3.483 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.926 3.206 5.042 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.107 1.122 6.050 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.814 0.912 4.460 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.893 2.061 6.251 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.623 1.513 7.372 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.829 0.708 5.798 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.858 2.952 4.452 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.913 3.770 3.876 1.00 0.00 C ATOM 1195 C VAL A 79 -2.542 5.222 4.148 1.00 0.00 C ATOM 1196 O VAL A 79 -2.235 5.560 5.289 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.278 3.434 4.495 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.361 4.395 3.975 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.681 1.988 4.181 1.00 0.00 C ATOM 0 H VAL A 79 -1.679 3.161 5.434 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.001 3.582 2.806 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.189 3.548 5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.320 4.140 4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.096 5.419 4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.435 4.308 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.651 1.775 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.744 1.854 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.935 1.306 4.588 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.587 6.063 3.115 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.313 7.489 3.165 1.00 0.00 C ATOM 1211 C PHE A 80 -3.584 8.235 2.785 1.00 0.00 C ATOM 1212 O PHE A 80 -4.360 7.747 1.963 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.168 7.837 2.211 1.00 0.00 C ATOM 1214 CG PHE A 80 0.181 7.324 2.672 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.557 5.990 2.429 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.050 8.178 3.374 1.00 0.00 C ATOM 1217 CE1 PHE A 80 1.798 5.516 2.886 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.286 7.700 3.839 1.00 0.00 C ATOM 1219 CZ PHE A 80 2.645 6.357 3.626 1.00 0.00 C ATOM 0 H PHE A 80 -2.828 5.747 2.176 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.008 7.781 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.388 7.424 1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.117 8.920 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.108 5.331 1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.766 9.204 3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.101 4.503 2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.960 8.363 4.360 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.570 5.973 4.031 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.778 9.419 3.374 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.954 10.250 3.132 1.00 0.00 C ATOM 1231 C LYS A 81 -4.550 11.727 3.144 1.00 0.00 C ATOM 1232 O LYS A 81 -5.122 12.542 3.864 1.00 0.00 O ATOM 1233 CB LYS A 81 -6.076 9.871 4.123 1.00 0.00 C ATOM 1234 CG LYS A 81 -5.969 10.358 5.578 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.549 10.304 6.150 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.528 10.670 7.638 1.00 0.00 C ATOM 1237 NZ LYS A 81 -5.032 12.034 7.876 1.00 0.00 N ATOM 0 H LYS A 81 -3.118 9.827 4.036 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.370 10.068 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.016 10.245 3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.147 8.783 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.334 11.384 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.625 9.751 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.139 9.303 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.907 10.989 5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.135 9.957 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.510 10.588 8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.876 12.293 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.527 12.703 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.050 12.070 7.664 1.00 0.00 H new ATOM 1251 N GLY A 82 -3.544 12.063 2.332 1.00 0.00 N ATOM 1252 CA GLY A 82 -3.034 13.419 2.240 1.00 0.00 C ATOM 1253 C GLY A 82 -1.818 13.580 3.142 1.00 0.00 C ATOM 1254 O GLY A 82 -1.951 13.994 4.293 1.00 0.00 O ATOM 0 H GLY A 82 -3.066 11.398 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.765 13.646 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.809 14.128 2.530 1.00 0.00 H new ATOM 1258 N GLY A 83 -0.629 13.240 2.637 1.00 0.00 N ATOM 1259 CA GLY A 83 0.618 13.354 3.379 1.00 0.00 C ATOM 1260 C GLY A 83 0.750 12.307 4.483 1.00 0.00 C ATOM 1261 O GLY A 83 1.610 11.431 4.422 1.00 0.00 O ATOM 0 H GLY A 83 -0.510 12.875 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.456 13.255 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.684 14.349 3.819 1.00 0.00 H new ATOM 1265 N LYS A 84 -0.092 12.414 5.505 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.078 11.547 6.670 1.00 0.00 C ATOM 1267 C LYS A 84 -0.768 10.210 6.381 1.00 0.00 C ATOM 1268 O LYS A 84 -1.510 10.061 5.404 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.761 12.271 7.839 1.00 0.00 C ATOM 1270 CG LYS A 84 -0.174 13.661 8.133 1.00 0.00 C ATOM 1271 CD LYS A 84 1.309 13.600 8.521 1.00 0.00 C ATOM 1272 CE LYS A 84 1.804 14.984 8.955 1.00 0.00 C ATOM 1273 NZ LYS A 84 3.232 14.954 9.317 1.00 0.00 N ATOM 0 H LYS A 84 -0.821 13.126 5.544 1.00 0.00 H new ATOM 0 HA LYS A 84 0.956 11.323 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.824 12.374 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.679 11.655 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.291 14.295 7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.739 14.128 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.450 12.885 9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.898 13.244 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.647 15.698 8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.218 15.331 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.537 15.905 9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.377 14.290 10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.792 14.646 8.497 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.507 9.239 7.262 1.00 0.00 N ATOM 1288 CA LYS A 85 -1.067 7.902 7.191 1.00 0.00 C ATOM 1289 C LYS A 85 -2.382 7.817 7.958 1.00 0.00 C ATOM 1290 O LYS A 85 -2.576 8.514 8.952 1.00 0.00 O ATOM 1291 CB LYS A 85 -0.099 6.874 7.781 1.00 0.00 C ATOM 1292 CG LYS A 85 1.190 6.773 6.965 1.00 0.00 C ATOM 1293 CD LYS A 85 1.895 5.434 7.205 1.00 0.00 C ATOM 1294 CE LYS A 85 2.134 5.134 8.687 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.853 3.859 8.850 1.00 0.00 N ATOM 0 H LYS A 85 0.115 9.372 8.059 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.242 7.684 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.142 7.149 8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.583 5.898 7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.962 6.882 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.858 7.592 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.297 4.633 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.852 5.436 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.709 5.942 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.180 5.089 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.125 3.739 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.236 3.073 8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.707 3.864 8.257 1.00 0.00 H new ATOM 1309 N CYS A 86 -3.265 6.933 7.498 1.00 0.00 N ATOM 1310 CA CYS A 86 -4.528 6.622 8.151 1.00 0.00 C ATOM 1311 C CYS A 86 -4.294 5.456 9.100 1.00 0.00 C ATOM 1312 O CYS A 86 -4.676 5.502 10.265 1.00 0.00 O ATOM 1313 CB CYS A 86 -5.581 6.220 7.120 1.00 0.00 C ATOM 1314 SG CYS A 86 -7.170 6.066 7.969 1.00 0.00 S ATOM 0 H CYS A 86 -3.115 6.402 6.640 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.886 7.500 8.689 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.643 6.967 6.329 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.309 5.276 6.647 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.437 4.809 8.166 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.690 4.393 8.563 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.339 3.182 9.282 1.00 0.00 C ATOM 1322 C GLU A 87 -2.295 2.395 8.481 1.00 0.00 C ATOM 1323 O GLU A 87 -1.859 2.833 7.411 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.605 2.352 9.531 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.290 1.910 8.222 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.376 0.388 8.075 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -5.585 -0.286 9.110 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -5.234 -0.078 6.924 1.00 0.00 O ATOM 0 H GLU A 87 -3.425 4.358 7.579 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.902 3.431 10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.348 1.470 10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.307 2.937 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.295 2.330 8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.741 2.321 7.375 1.00 0.00 H new ATOM 1335 N THR A 88 -1.884 1.237 9.002 1.00 0.00 N ATOM 1336 CA THR A 88 -0.919 0.335 8.394 1.00 0.00 C ATOM 1337 C THR A 88 -1.145 -1.055 8.981 1.00 0.00 C ATOM 1338 O THR A 88 -1.464 -1.152 10.164 1.00 0.00 O ATOM 1339 CB THR A 88 0.506 0.837 8.683 1.00 0.00 C ATOM 1340 OG1 THR A 88 0.757 2.023 7.954 1.00 0.00 O ATOM 1341 CG2 THR A 88 1.575 -0.198 8.312 1.00 0.00 C ATOM 0 H THR A 88 -2.233 0.893 9.897 1.00 0.00 H new ATOM 0 HA THR A 88 -1.044 0.296 7.312 1.00 0.00 H new ATOM 0 HB THR A 88 0.565 1.022 9.756 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.083 2.360 7.579 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.563 0.204 8.535 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.415 -1.109 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.507 -0.426 7.248 1.00 0.00 H new ATOM 1349 N ILE A 89 -0.997 -2.111 8.178 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.162 -3.493 8.607 1.00 0.00 C ATOM 1351 C ILE A 89 -0.065 -4.350 7.990 1.00 0.00 C ATOM 1352 O ILE A 89 0.456 -4.015 6.929 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.541 -4.039 8.185 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -2.746 -3.994 6.658 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.644 -3.247 8.884 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.152 -4.426 6.228 1.00 0.00 C ATOM 0 H ILE A 89 -0.754 -2.022 7.191 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.094 -3.529 9.694 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.586 -5.086 8.486 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.559 -2.981 6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.011 -4.641 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.617 -3.635 8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.533 -3.343 9.964 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.571 -2.196 8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.233 -4.373 5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.334 -5.450 6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.890 -3.764 6.680 1.00 0.00 H new ATOM 1368 N ILE A 90 0.284 -5.453 8.650 1.00 0.00 N ATOM 1369 CA ILE A 90 1.193 -6.443 8.094 1.00 0.00 C ATOM 1370 C ILE A 90 0.328 -7.276 7.142 1.00 0.00 C ATOM 1371 O ILE A 90 -0.850 -7.492 7.429 1.00 0.00 O ATOM 1372 CB ILE A 90 1.827 -7.283 9.220 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.566 -6.347 10.197 1.00 0.00 C ATOM 1374 CG2 ILE A 90 2.801 -8.316 8.629 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.259 -7.085 11.346 1.00 0.00 C ATOM 0 H ILE A 90 -0.057 -5.682 9.584 1.00 0.00 H new ATOM 0 HA ILE A 90 2.035 -6.001 7.562 1.00 0.00 H new ATOM 0 HB ILE A 90 1.044 -7.819 9.757 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.309 -5.772 9.645 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.854 -5.633 10.611 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.242 -8.903 9.435 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.262 -8.978 7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.590 -7.800 8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.758 -6.364 11.993 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.518 -7.638 11.923 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.995 -7.779 10.941 1.00 0.00 H new ATOM 1387 N GLY A 91 0.867 -7.685 5.991 1.00 0.00 N ATOM 1388 CA GLY A 91 0.109 -8.492 5.044 1.00 0.00 C ATOM 1389 C GLY A 91 0.105 -9.958 5.485 1.00 0.00 C ATOM 1390 O GLY A 91 -0.022 -10.245 6.671 1.00 0.00 O ATOM 0 H GLY A 91 1.820 -7.470 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.914 -8.122 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.546 -8.405 4.049 1.00 0.00 H new ATOM 1394 N ALA A 92 0.265 -10.895 4.541 1.00 0.00 N ATOM 1395 CA ALA A 92 0.229 -12.330 4.816 1.00 0.00 C ATOM 1396 C ALA A 92 -1.045 -12.718 5.586 1.00 0.00 C ATOM 1397 O ALA A 92 -0.997 -13.530 6.507 1.00 0.00 O ATOM 1398 CB ALA A 92 1.507 -12.748 5.557 1.00 0.00 C ATOM 0 H ALA A 92 0.424 -10.672 3.558 1.00 0.00 H new ATOM 0 HA ALA A 92 0.195 -12.873 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.476 -13.818 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.376 -12.521 4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.577 -12.202 6.498 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.187 -12.150 5.184 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.509 -12.424 5.738 1.00 0.00 C ATOM 1406 C VAL A 93 -4.482 -12.490 4.555 1.00 0.00 C ATOM 1407 O VAL A 93 -4.214 -11.847 3.538 1.00 0.00 O ATOM 1408 CB VAL A 93 -3.931 -11.340 6.749 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.132 -11.455 8.053 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.808 -9.916 6.193 1.00 0.00 C ATOM 0 H VAL A 93 -2.212 -11.460 4.433 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.506 -13.365 6.288 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.987 -11.521 6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.452 -10.677 8.746 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.305 -12.434 8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.070 -11.336 7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.120 -9.200 6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.772 -9.722 5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.444 -9.812 5.314 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.583 -13.260 4.635 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.531 -13.361 3.536 1.00 0.00 C ATOM 1422 C PRO A 94 -7.132 -12.011 3.145 1.00 0.00 C ATOM 1423 O PRO A 94 -7.323 -11.137 3.992 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.642 -14.296 4.013 1.00 0.00 C ATOM 1425 CG PRO A 94 -6.966 -15.138 5.093 1.00 0.00 C ATOM 1426 CD PRO A 94 -5.940 -14.182 5.704 1.00 0.00 C ATOM 0 HA PRO A 94 -6.019 -13.734 2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.490 -13.740 4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.021 -14.916 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.682 -15.486 5.837 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.489 -16.023 4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.359 -13.650 6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.065 -14.723 6.064 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.504 -11.896 1.870 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.122 -10.725 1.277 1.00 0.00 C ATOM 1436 C LYS A 95 -9.294 -10.245 2.123 1.00 0.00 C ATOM 1437 O LYS A 95 -9.407 -9.061 2.404 1.00 0.00 O ATOM 1438 CB LYS A 95 -8.548 -11.038 -0.165 1.00 0.00 C ATOM 1439 CG LYS A 95 -9.553 -12.182 -0.396 1.00 0.00 C ATOM 1440 CD LYS A 95 -11.009 -11.718 -0.603 1.00 0.00 C ATOM 1441 CE LYS A 95 -11.231 -10.778 -1.802 1.00 0.00 C ATOM 1442 NZ LYS A 95 -10.615 -11.285 -3.041 1.00 0.00 N ATOM 0 H LYS A 95 -7.374 -12.653 1.199 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.397 -9.912 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.974 -10.130 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.648 -11.266 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.239 -12.754 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.518 -12.858 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.640 -12.598 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.345 -11.212 0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.301 -10.644 -1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.818 -9.796 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.779 -10.607 -3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.592 -11.404 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.039 -12.202 -3.289 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.143 -11.170 2.566 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.291 -10.873 3.414 1.00 0.00 C ATOM 1458 C ALA A 96 -10.884 -10.006 4.612 1.00 0.00 C ATOM 1459 O ALA A 96 -11.592 -9.067 4.974 1.00 0.00 O ATOM 1460 CB ALA A 96 -11.916 -12.186 3.894 1.00 0.00 C ATOM 0 H ALA A 96 -10.050 -12.161 2.342 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.022 -10.311 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.775 -11.969 4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.239 -12.771 3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.179 -12.753 4.462 1.00 0.00 H new ATOM 1466 N THR A 97 -9.755 -10.328 5.246 1.00 0.00 N ATOM 1467 CA THR A 97 -9.233 -9.595 6.389 1.00 0.00 C ATOM 1468 C THR A 97 -8.907 -8.164 5.958 1.00 0.00 C ATOM 1469 O THR A 97 -9.318 -7.195 6.597 1.00 0.00 O ATOM 1470 CB THR A 97 -7.974 -10.310 6.925 1.00 0.00 C ATOM 1471 OG1 THR A 97 -7.996 -11.677 6.567 1.00 0.00 O ATOM 1472 CG2 THR A 97 -7.895 -10.212 8.449 1.00 0.00 C ATOM 0 H THR A 97 -9.172 -11.119 4.971 1.00 0.00 H new ATOM 0 HA THR A 97 -9.975 -9.560 7.187 1.00 0.00 H new ATOM 0 HB THR A 97 -7.106 -9.820 6.484 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.621 -11.786 5.668 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.999 -10.724 8.801 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.854 -9.164 8.745 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.776 -10.679 8.890 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.173 -8.048 4.849 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.748 -6.777 4.286 1.00 0.00 C ATOM 1482 C ILE A 98 -8.994 -5.934 3.973 1.00 0.00 C ATOM 1483 O ILE A 98 -9.094 -4.800 4.432 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.845 -7.036 3.056 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.599 -7.837 3.483 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.419 -5.693 2.440 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.657 -8.171 2.321 1.00 0.00 C ATOM 0 H ILE A 98 -7.854 -8.854 4.311 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.146 -6.206 4.993 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.399 -7.612 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.050 -7.267 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.919 -8.764 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.783 -5.875 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.304 -5.138 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.867 -5.112 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.803 -8.735 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.190 -8.768 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.308 -7.248 1.859 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.961 -6.483 3.233 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.208 -5.810 2.887 1.00 0.00 C ATOM 1501 C VAL A 99 -11.883 -5.309 4.163 1.00 0.00 C ATOM 1502 O VAL A 99 -12.095 -4.108 4.307 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.128 -6.762 2.095 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.528 -6.165 1.895 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.546 -7.051 0.706 1.00 0.00 C ATOM 0 H VAL A 99 -9.894 -7.427 2.852 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.999 -4.952 2.248 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.200 -7.678 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.145 -6.866 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.985 -5.976 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.449 -5.228 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.211 -7.724 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.446 -6.118 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.566 -7.517 0.812 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.203 -6.216 5.096 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.858 -5.859 6.352 1.00 0.00 C ATOM 1517 C GLN A 100 -12.122 -4.715 7.048 1.00 0.00 C ATOM 1518 O GLN A 100 -12.750 -3.795 7.566 1.00 0.00 O ATOM 1519 CB GLN A 100 -12.926 -7.087 7.262 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.031 -8.028 6.776 1.00 0.00 C ATOM 1521 CD GLN A 100 -13.985 -9.360 7.510 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -14.848 -9.675 8.321 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -12.961 -10.154 7.222 1.00 0.00 N ATOM 0 H GLN A 100 -12.014 -7.213 4.998 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.870 -5.518 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.967 -7.605 7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.122 -6.780 8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.003 -7.560 6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.923 -8.197 5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.262 -9.858 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.873 -11.060 7.682 1.00 0.00 H new ATOM 1532 N THR A 101 -10.792 -4.772 7.056 1.00 0.00 N ATOM 1533 CA THR A 101 -9.995 -3.704 7.632 1.00 0.00 C ATOM 1534 C THR A 101 -10.264 -2.392 6.880 1.00 0.00 C ATOM 1535 O THR A 101 -10.721 -1.426 7.486 1.00 0.00 O ATOM 1536 CB THR A 101 -8.511 -4.101 7.619 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.339 -5.301 8.343 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.647 -3.025 8.271 1.00 0.00 C ATOM 0 H THR A 101 -10.250 -5.545 6.671 1.00 0.00 H new ATOM 0 HA THR A 101 -10.276 -3.541 8.672 1.00 0.00 H new ATOM 0 HB THR A 101 -8.206 -4.225 6.580 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.662 -6.055 7.807 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.602 -3.334 8.247 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.761 -2.088 7.727 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.960 -2.884 9.305 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.007 -2.351 5.567 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.159 -1.151 4.742 1.00 0.00 C ATOM 1548 C VAL A 102 -11.552 -0.533 4.896 1.00 0.00 C ATOM 1549 O VAL A 102 -11.659 0.679 5.068 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.855 -1.480 3.271 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.088 -0.286 2.333 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.396 -1.906 3.087 1.00 0.00 C ATOM 0 H VAL A 102 -9.683 -3.163 5.042 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.441 -0.407 5.088 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.540 -2.289 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.857 -0.578 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.130 0.027 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.442 0.541 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.213 -2.132 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.738 -1.097 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.197 -2.793 3.689 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.600 -1.359 4.849 1.00 0.00 N ATOM 1563 CA GLU A 103 -14.005 -0.970 4.950 1.00 0.00 C ATOM 1564 C GLU A 103 -14.271 0.045 6.065 1.00 0.00 C ATOM 1565 O GLU A 103 -15.100 0.939 5.911 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.834 -2.231 5.210 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.897 -3.154 3.985 1.00 0.00 C ATOM 1568 CD GLU A 103 -16.211 -2.992 3.226 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -17.168 -3.707 3.593 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -16.237 -2.159 2.293 1.00 0.00 O ATOM 0 H GLU A 103 -12.484 -2.366 4.734 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.283 -0.488 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.406 -2.777 6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.846 -1.944 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.062 -2.934 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.786 -4.190 4.304 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.606 -0.132 7.206 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.717 0.770 8.344 1.00 0.00 C ATOM 1579 C LYS A 104 -13.312 2.188 7.947 1.00 0.00 C ATOM 1580 O LYS A 104 -13.975 3.163 8.290 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.772 0.269 9.447 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.667 1.207 10.658 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.451 0.889 11.536 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.389 -0.558 12.045 1.00 0.00 C ATOM 1585 NZ LYS A 104 -10.761 -1.469 11.068 1.00 0.00 N ATOM 0 H LYS A 104 -12.970 -0.914 7.365 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.749 0.788 8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.114 -0.708 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.778 0.129 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.602 2.238 10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.575 1.128 11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.545 1.099 10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.453 1.562 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.828 -0.588 12.979 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.398 -0.906 12.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.201 -2.186 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.500 -1.938 10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.139 -0.925 10.436 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.156 2.280 7.296 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.494 3.520 6.956 1.00 0.00 C ATOM 1601 C TYR A 105 -12.124 4.130 5.709 1.00 0.00 C ATOM 1602 O TYR A 105 -12.691 5.220 5.740 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.008 3.193 6.755 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.357 2.549 7.959 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.054 3.320 9.094 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -9.063 1.175 7.950 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.353 2.747 10.169 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -8.439 0.588 9.059 1.00 0.00 C ATOM 1609 CZ TYR A 105 -8.015 1.385 10.134 1.00 0.00 C ATOM 1610 OH TYR A 105 -7.171 0.863 11.064 1.00 0.00 O ATOM 0 H TYR A 105 -11.641 1.457 6.982 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.602 4.263 7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.905 2.527 5.898 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.473 4.111 6.512 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.360 4.355 9.140 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.317 0.573 7.090 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.075 3.353 11.019 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.284 -0.480 9.087 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.457 0.364 10.615 1.00 0.00 H new ATOM 1620 N LEU A 106 -12.026 3.405 4.600 1.00 0.00 N ATOM 1621 CA LEU A 106 -12.538 3.805 3.304 1.00 0.00 C ATOM 1622 C LEU A 106 -13.998 3.375 3.244 1.00 0.00 C ATOM 1623 O LEU A 106 -14.374 2.516 2.447 1.00 0.00 O ATOM 1624 CB LEU A 106 -11.679 3.142 2.223 1.00 0.00 C ATOM 1625 CG LEU A 106 -10.321 3.824 1.983 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -10.488 4.998 1.013 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -9.559 4.288 3.229 1.00 0.00 C ATOM 0 H LEU A 106 -11.571 2.492 4.583 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.490 4.882 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -11.506 2.102 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -12.238 3.133 1.287 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.698 3.036 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.522 5.475 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -10.878 4.632 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.183 5.723 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.619 4.752 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.163 5.012 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.352 3.430 3.869 1.00 0.00 H new ATOM 1639 N ASN A 107 -14.793 3.959 4.137 1.00 0.00 N ATOM 1640 CA ASN A 107 -16.214 3.687 4.242 1.00 0.00 C ATOM 1641 C ASN A 107 -16.961 4.581 3.259 1.00 0.00 C ATOM 1642 O ASN A 107 -16.597 5.778 3.203 1.00 0.00 O ATOM 1643 CB ASN A 107 -16.672 3.939 5.683 1.00 0.00 C ATOM 1644 CG ASN A 107 -17.931 3.147 6.002 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -19.013 3.699 6.177 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -17.788 1.831 6.129 1.00 0.00 N ATOM 1647 OXT ASN A 107 -17.856 4.058 2.564 1.00 0.00 O ATOM 0 H ASN A 107 -14.458 4.643 4.815 1.00 0.00 H new ATOM 0 HA ASN A 107 -16.425 2.647 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -15.877 3.660 6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -16.861 5.003 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -18.590 1.253 6.378 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -16.876 1.400 5.977 1.00 0.00 H new TER 1654 ASN A 107