USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 773 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 Single : A 1 MET CE :methyl 162:sc= -0.1 (180deg=-0.485) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0373) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0196 K(o=-0.02,f=-0.72) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 169:sc= -0.0132 (180deg=-0.193) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0641) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -0.0868 (180deg=-0.581) USER MOD Single : A 32 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.43) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0582) USER MOD Single : A 42 ASN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.288 K(o=0.29,f=-0.39) USER MOD Single : A 51 MET CE :methyl -148:sc= -0.27 (180deg=-2.08!) USER MOD Single : A 52 MET CE :methyl 164:sc= -0.129 (180deg=-0.502) USER MOD Single : A 53 SER OG : rot 73:sc= 1.13 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc=-0.00182 (180deg=-0.0985) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.3!) USER MOD Single : A 61 GLN : amide:sc= -0.0504 X(o=-0.05,f=-0.43) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc=-0.00657 X(o=-0.0066,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -137:sc= -1.42 (180deg=-3.73!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.0567 USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0138) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0.523 (180deg=0.459) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.081 -26.767 -0.031 1.00 45.13 N ATOM 2 CA MET A 1 4.227 -26.619 1.177 1.00 20.24 C ATOM 3 C MET A 1 3.876 -25.133 1.415 1.00 2.30 C ATOM 4 O MET A 1 4.770 -24.314 1.619 1.00 44.14 O ATOM 5 CB MET A 1 4.942 -27.212 2.425 1.00 62.12 C ATOM 6 CG MET A 1 5.180 -28.731 2.376 1.00 1.22 C ATOM 7 SD MET A 1 6.035 -29.357 3.842 1.00 0.33 S ATOM 8 CE MET A 1 4.898 -28.912 5.162 1.00 65.00 C ATOM 0 H1 MET A 1 5.223 -27.777 -0.234 1.00 45.13 H new ATOM 0 H2 MET A 1 4.616 -26.312 -0.843 1.00 45.13 H new ATOM 0 H3 MET A 1 6.002 -26.315 0.138 1.00 45.13 H new ATOM 0 HA MET A 1 3.301 -27.171 1.012 1.00 20.24 H new ATOM 0 HB2 MET A 1 5.903 -26.712 2.546 1.00 62.12 H new ATOM 0 HB3 MET A 1 4.349 -26.981 3.310 1.00 62.12 H new ATOM 0 HG2 MET A 1 4.222 -29.241 2.275 1.00 1.22 H new ATOM 0 HG3 MET A 1 5.765 -28.974 1.489 1.00 1.22 H new ATOM 0 HE1 MET A 1 5.126 -29.499 6.052 1.00 65.00 H new ATOM 0 HE2 MET A 1 5.003 -27.851 5.390 1.00 65.00 H new ATOM 0 HE3 MET A 1 3.875 -29.115 4.845 1.00 65.00 H new ATOM 20 N GLY A 2 2.575 -24.792 1.378 1.00 64.52 N ATOM 21 CA GLY A 2 2.113 -23.409 1.610 1.00 12.42 C ATOM 22 C GLY A 2 0.931 -23.303 2.578 1.00 72.21 C ATOM 23 O GLY A 2 0.452 -22.191 2.849 1.00 4.03 O ATOM 0 H GLY A 2 1.823 -25.455 1.190 1.00 64.52 H new ATOM 0 HA2 GLY A 2 2.943 -22.820 2.000 1.00 12.42 H new ATOM 0 HA3 GLY A 2 1.829 -22.966 0.655 1.00 12.42 H new ATOM 27 N HIS A 3 0.468 -24.455 3.113 1.00 22.34 N ATOM 28 CA HIS A 3 -0.697 -24.514 4.024 1.00 25.33 C ATOM 29 C HIS A 3 -0.302 -24.079 5.460 1.00 60.45 C ATOM 30 O HIS A 3 0.085 -24.901 6.302 1.00 34.53 O ATOM 31 CB HIS A 3 -1.325 -25.935 4.013 1.00 64.14 C ATOM 32 CG HIS A 3 -2.552 -26.094 4.880 1.00 13.44 C ATOM 33 ND1 HIS A 3 -2.701 -27.111 5.795 1.00 60.45 N ATOM 34 CD2 HIS A 3 -3.698 -25.368 4.946 1.00 34.05 C ATOM 35 CE1 HIS A 3 -3.871 -27.006 6.383 1.00 32.43 C ATOM 36 NE2 HIS A 3 -4.498 -25.962 5.889 1.00 35.20 N ATOM 0 H HIS A 3 0.889 -25.365 2.927 1.00 22.34 H new ATOM 0 HA HIS A 3 -1.450 -23.812 3.666 1.00 25.33 H new ATOM 0 HB2 HIS A 3 -1.587 -26.193 2.987 1.00 64.14 H new ATOM 0 HB3 HIS A 3 -0.572 -26.652 4.339 1.00 64.14 H new ATOM 0 HD2 HIS A 3 -3.935 -24.489 4.365 1.00 34.05 H new ATOM 0 HE1 HIS A 3 -4.254 -27.668 7.146 1.00 32.43 H new ATOM 0 HE2 HIS A 3 -5.428 -25.645 6.162 1.00 35.20 H new ATOM 45 N HIS A 4 -0.352 -22.759 5.696 1.00 51.44 N ATOM 46 CA HIS A 4 -0.092 -22.150 7.020 1.00 3.41 C ATOM 47 C HIS A 4 -1.420 -21.673 7.649 1.00 51.32 C ATOM 48 O HIS A 4 -2.128 -20.853 7.056 1.00 0.23 O ATOM 49 CB HIS A 4 0.907 -20.964 6.892 1.00 41.12 C ATOM 50 CG HIS A 4 2.338 -21.368 6.620 1.00 54.33 C ATOM 51 ND1 HIS A 4 3.407 -20.829 7.301 1.00 22.45 N ATOM 52 CD2 HIS A 4 2.872 -22.262 5.750 1.00 43.32 C ATOM 53 CE1 HIS A 4 4.523 -21.371 6.869 1.00 63.00 C ATOM 54 NE2 HIS A 4 4.230 -22.245 5.931 1.00 12.32 N ATOM 0 H HIS A 4 -0.575 -22.076 4.972 1.00 51.44 H new ATOM 0 HA HIS A 4 0.356 -22.902 7.669 1.00 3.41 H new ATOM 0 HB2 HIS A 4 0.570 -20.309 6.089 1.00 41.12 H new ATOM 0 HB3 HIS A 4 0.877 -20.381 7.813 1.00 41.12 H new ATOM 0 HD2 HIS A 4 2.328 -22.873 5.046 1.00 43.32 H new ATOM 0 HE1 HIS A 4 5.516 -21.138 7.225 1.00 63.00 H new ATOM 0 HE2 HIS A 4 4.904 -22.817 5.421 1.00 12.32 H new ATOM 63 N HIS A 5 -1.751 -22.204 8.843 1.00 31.15 N ATOM 64 CA HIS A 5 -2.983 -21.828 9.571 1.00 33.03 C ATOM 65 C HIS A 5 -2.855 -20.400 10.175 1.00 61.10 C ATOM 66 O HIS A 5 -2.033 -20.154 11.063 1.00 32.12 O ATOM 67 CB HIS A 5 -3.350 -22.898 10.645 1.00 63.11 C ATOM 68 CG HIS A 5 -2.229 -23.303 11.572 1.00 74.42 C ATOM 69 ND1 HIS A 5 -1.332 -24.308 11.269 1.00 22.40 N ATOM 70 CD2 HIS A 5 -1.882 -22.868 12.807 1.00 41.24 C ATOM 71 CE1 HIS A 5 -0.500 -24.470 12.272 1.00 10.13 C ATOM 72 NE2 HIS A 5 -0.808 -23.612 13.220 1.00 72.34 N ATOM 0 H HIS A 5 -1.181 -22.898 9.327 1.00 31.15 H new ATOM 0 HA HIS A 5 -3.809 -21.801 8.860 1.00 33.03 H new ATOM 0 HB2 HIS A 5 -4.174 -22.515 11.247 1.00 63.11 H new ATOM 0 HB3 HIS A 5 -3.715 -23.789 10.134 1.00 63.11 H new ATOM 0 HD2 HIS A 5 -2.364 -22.079 13.365 1.00 41.24 H new ATOM 0 HE1 HIS A 5 0.305 -25.189 12.312 1.00 10.13 H new ATOM 0 HE2 HIS A 5 -0.327 -23.516 14.114 1.00 72.34 H new ATOM 81 N HIS A 6 -3.672 -19.469 9.651 1.00 74.11 N ATOM 82 CA HIS A 6 -3.641 -18.035 10.020 1.00 2.25 C ATOM 83 C HIS A 6 -5.038 -17.393 9.836 1.00 12.12 C ATOM 84 O HIS A 6 -5.707 -17.083 10.826 1.00 72.31 O ATOM 85 CB HIS A 6 -2.564 -17.298 9.172 1.00 33.22 C ATOM 86 CG HIS A 6 -2.518 -15.795 9.343 1.00 60.02 C ATOM 87 ND1 HIS A 6 -3.070 -14.913 8.432 1.00 44.13 N ATOM 88 CD2 HIS A 6 -1.978 -15.016 10.317 1.00 22.50 C ATOM 89 CE1 HIS A 6 -2.872 -13.676 8.836 1.00 52.54 C ATOM 90 NE2 HIS A 6 -2.215 -13.707 9.973 1.00 45.50 N ATOM 0 H HIS A 6 -4.381 -19.689 8.952 1.00 74.11 H new ATOM 0 HA HIS A 6 -3.374 -17.943 11.073 1.00 2.25 H new ATOM 0 HB2 HIS A 6 -1.585 -17.705 9.426 1.00 33.22 H new ATOM 0 HB3 HIS A 6 -2.739 -17.521 8.120 1.00 33.22 H new ATOM 0 HD2 HIS A 6 -1.459 -15.362 11.198 1.00 22.50 H new ATOM 0 HE1 HIS A 6 -3.196 -12.785 8.319 1.00 52.54 H new ATOM 0 HE2 HIS A 6 -1.927 -12.891 10.513 1.00 45.50 H new ATOM 99 N HIS A 7 -5.474 -17.256 8.560 1.00 52.01 N ATOM 100 CA HIS A 7 -6.678 -16.479 8.156 1.00 30.22 C ATOM 101 C HIS A 7 -6.575 -14.998 8.623 1.00 52.21 C ATOM 102 O HIS A 7 -6.148 -14.129 7.857 1.00 54.33 O ATOM 103 CB HIS A 7 -8.002 -17.141 8.644 1.00 23.25 C ATOM 104 CG HIS A 7 -8.305 -18.476 8.010 1.00 14.42 C ATOM 105 ND1 HIS A 7 -8.661 -18.616 6.686 1.00 2.04 N ATOM 106 CD2 HIS A 7 -8.313 -19.733 8.525 1.00 50.30 C ATOM 107 CE1 HIS A 7 -8.868 -19.887 6.417 1.00 61.41 C ATOM 108 NE2 HIS A 7 -8.664 -20.586 7.509 1.00 22.24 N ATOM 0 H HIS A 7 -4.995 -17.687 7.770 1.00 52.01 H new ATOM 0 HA HIS A 7 -6.709 -16.485 7.066 1.00 30.22 H new ATOM 0 HB2 HIS A 7 -7.952 -17.270 9.725 1.00 23.25 H new ATOM 0 HB3 HIS A 7 -8.829 -16.461 8.442 1.00 23.25 H new ATOM 0 HD2 HIS A 7 -8.086 -20.009 9.544 1.00 50.30 H new ATOM 0 HE1 HIS A 7 -9.158 -20.289 5.457 1.00 61.41 H new ATOM 0 HE2 HIS A 7 -8.752 -21.599 7.589 1.00 22.24 H new ATOM 117 N HIS A 8 -6.934 -14.736 9.897 1.00 64.43 N ATOM 118 CA HIS A 8 -6.837 -13.392 10.519 1.00 22.32 C ATOM 119 C HIS A 8 -6.859 -13.480 12.061 1.00 1.43 C ATOM 120 O HIS A 8 -7.200 -14.521 12.635 1.00 31.14 O ATOM 121 CB HIS A 8 -7.972 -12.448 10.017 1.00 32.54 C ATOM 122 CG HIS A 8 -9.368 -13.035 10.068 1.00 51.54 C ATOM 123 ND1 HIS A 8 -10.102 -13.320 8.936 1.00 65.21 N ATOM 124 CD2 HIS A 8 -10.169 -13.370 11.113 1.00 75.30 C ATOM 125 CE1 HIS A 8 -11.276 -13.804 9.280 1.00 15.12 C ATOM 126 NE2 HIS A 8 -11.343 -13.845 10.592 1.00 32.15 N ATOM 0 H HIS A 8 -7.300 -15.449 10.527 1.00 64.43 H new ATOM 0 HA HIS A 8 -5.880 -12.969 10.214 1.00 22.32 H new ATOM 0 HB2 HIS A 8 -7.956 -11.537 10.615 1.00 32.54 H new ATOM 0 HB3 HIS A 8 -7.754 -12.159 8.989 1.00 32.54 H new ATOM 0 HD2 HIS A 8 -9.925 -13.279 12.161 1.00 75.30 H new ATOM 0 HE1 HIS A 8 -12.054 -14.115 8.599 1.00 15.12 H new ATOM 0 HE2 HIS A 8 -12.140 -14.177 11.134 1.00 32.15 H new ATOM 135 N SER A 9 -6.501 -12.364 12.714 1.00 62.52 N ATOM 136 CA SER A 9 -6.584 -12.212 14.185 1.00 62.11 C ATOM 137 C SER A 9 -7.174 -10.842 14.546 1.00 3.42 C ATOM 138 O SER A 9 -7.084 -9.887 13.763 1.00 71.41 O ATOM 139 CB SER A 9 -5.185 -12.350 14.833 1.00 45.42 C ATOM 140 OG SER A 9 -4.645 -13.644 14.638 1.00 11.14 O ATOM 0 H SER A 9 -6.144 -11.535 12.240 1.00 62.52 H new ATOM 0 HA SER A 9 -7.232 -13.001 14.567 1.00 62.11 H new ATOM 0 HB2 SER A 9 -4.511 -11.606 14.407 1.00 45.42 H new ATOM 0 HB3 SER A 9 -5.256 -12.142 15.901 1.00 45.42 H new ATOM 0 HG SER A 9 -3.761 -13.696 15.058 1.00 11.14 H new ATOM 146 N HIS A 10 -7.764 -10.742 15.748 1.00 51.52 N ATOM 147 CA HIS A 10 -8.238 -9.457 16.308 1.00 54.15 C ATOM 148 C HIS A 10 -7.092 -8.775 17.101 1.00 63.30 C ATOM 149 O HIS A 10 -7.248 -8.375 18.264 1.00 23.34 O ATOM 150 CB HIS A 10 -9.494 -9.696 17.182 1.00 50.52 C ATOM 151 CG HIS A 10 -10.635 -10.339 16.428 1.00 22.54 C ATOM 152 ND1 HIS A 10 -11.386 -9.669 15.487 1.00 73.44 N ATOM 153 CD2 HIS A 10 -11.134 -11.603 16.461 1.00 33.33 C ATOM 154 CE1 HIS A 10 -12.283 -10.485 14.975 1.00 64.03 C ATOM 155 NE2 HIS A 10 -12.156 -11.661 15.546 1.00 43.44 N ATOM 0 H HIS A 10 -7.927 -11.542 16.359 1.00 51.52 H new ATOM 0 HA HIS A 10 -8.525 -8.782 15.502 1.00 54.15 H new ATOM 0 HB2 HIS A 10 -9.224 -10.329 18.028 1.00 50.52 H new ATOM 0 HB3 HIS A 10 -9.830 -8.743 17.591 1.00 50.52 H new ATOM 0 HD2 HIS A 10 -10.791 -12.411 17.090 1.00 33.33 H new ATOM 0 HE1 HIS A 10 -13.004 -10.230 14.212 1.00 64.03 H new ATOM 0 HE2 HIS A 10 -12.724 -12.483 15.343 1.00 43.44 H new ATOM 164 N MET A 11 -5.934 -8.635 16.418 1.00 45.12 N ATOM 165 CA MET A 11 -4.709 -8.034 16.973 1.00 22.42 C ATOM 166 C MET A 11 -4.847 -6.492 17.017 1.00 63.55 C ATOM 167 O MET A 11 -4.423 -5.776 16.102 1.00 14.33 O ATOM 168 CB MET A 11 -3.472 -8.486 16.135 1.00 34.13 C ATOM 169 CG MET A 11 -2.110 -7.965 16.635 1.00 3.33 C ATOM 170 SD MET A 11 -0.706 -8.616 15.693 1.00 45.41 S ATOM 171 CE MET A 11 -0.994 -7.944 14.050 1.00 15.31 C ATOM 0 H MET A 11 -5.827 -8.942 15.451 1.00 45.12 H new ATOM 0 HA MET A 11 -4.561 -8.379 17.996 1.00 22.42 H new ATOM 0 HB2 MET A 11 -3.442 -9.576 16.121 1.00 34.13 H new ATOM 0 HB3 MET A 11 -3.612 -8.157 15.105 1.00 34.13 H new ATOM 0 HG2 MET A 11 -2.102 -6.876 16.580 1.00 3.33 H new ATOM 0 HG3 MET A 11 -1.990 -8.232 17.685 1.00 3.33 H new ATOM 0 HE1 MET A 11 -0.111 -8.104 13.432 1.00 15.31 H new ATOM 0 HE2 MET A 11 -1.850 -8.445 13.597 1.00 15.31 H new ATOM 0 HE3 MET A 11 -1.196 -6.875 14.124 1.00 15.31 H new ATOM 181 N LYS A 12 -5.522 -6.017 18.071 1.00 32.52 N ATOM 182 CA LYS A 12 -5.732 -4.583 18.334 1.00 73.22 C ATOM 183 C LYS A 12 -5.967 -4.383 19.849 1.00 13.51 C ATOM 184 O LYS A 12 -7.104 -4.351 20.330 1.00 21.34 O ATOM 185 CB LYS A 12 -6.923 -4.034 17.491 1.00 54.23 C ATOM 186 CG LYS A 12 -7.147 -2.504 17.591 1.00 25.42 C ATOM 187 CD LYS A 12 -8.378 -2.037 16.777 1.00 2.34 C ATOM 188 CE LYS A 12 -8.596 -0.518 16.849 1.00 30.14 C ATOM 189 NZ LYS A 12 -7.454 0.246 16.271 1.00 52.25 N ATOM 0 H LYS A 12 -5.944 -6.623 18.775 1.00 32.52 H new ATOM 0 HA LYS A 12 -4.847 -4.020 18.036 1.00 73.22 H new ATOM 0 HB2 LYS A 12 -6.759 -4.294 16.445 1.00 54.23 H new ATOM 0 HB3 LYS A 12 -7.835 -4.541 17.806 1.00 54.23 H new ATOM 0 HG2 LYS A 12 -7.279 -2.226 18.637 1.00 25.42 H new ATOM 0 HG3 LYS A 12 -6.258 -1.985 17.232 1.00 25.42 H new ATOM 0 HD2 LYS A 12 -8.253 -2.333 15.735 1.00 2.34 H new ATOM 0 HD3 LYS A 12 -9.268 -2.545 17.148 1.00 2.34 H new ATOM 0 HE2 LYS A 12 -9.511 -0.259 16.316 1.00 30.14 H new ATOM 0 HE3 LYS A 12 -8.739 -0.223 17.888 1.00 30.14 H new ATOM 0 HZ1 LYS A 12 -7.703 1.254 16.218 1.00 52.25 H new ATOM 0 HZ2 LYS A 12 -6.616 0.127 16.875 1.00 52.25 H new ATOM 0 HZ3 LYS A 12 -7.246 -0.110 15.316 1.00 52.25 H new ATOM 203 N HIS A 13 -4.862 -4.348 20.606 1.00 60.41 N ATOM 204 CA HIS A 13 -4.882 -4.205 22.081 1.00 71.01 C ATOM 205 C HIS A 13 -3.998 -3.008 22.476 1.00 40.21 C ATOM 206 O HIS A 13 -2.830 -3.187 22.863 1.00 42.24 O ATOM 207 CB HIS A 13 -4.403 -5.525 22.762 1.00 2.55 C ATOM 208 CG HIS A 13 -5.255 -6.737 22.444 1.00 41.34 C ATOM 209 ND1 HIS A 13 -6.228 -7.225 23.290 1.00 61.14 N ATOM 210 CD2 HIS A 13 -5.273 -7.560 21.359 1.00 4.23 C ATOM 211 CE1 HIS A 13 -6.801 -8.279 22.746 1.00 13.22 C ATOM 212 NE2 HIS A 13 -6.242 -8.500 21.579 1.00 75.33 N ATOM 0 H HIS A 13 -3.921 -4.418 20.218 1.00 60.41 H new ATOM 0 HA HIS A 13 -5.899 -4.018 22.425 1.00 71.01 H new ATOM 0 HB2 HIS A 13 -3.377 -5.727 22.455 1.00 2.55 H new ATOM 0 HB3 HIS A 13 -4.390 -5.378 23.842 1.00 2.55 H new ATOM 0 HD2 HIS A 13 -4.640 -7.484 20.487 1.00 4.23 H new ATOM 0 HE1 HIS A 13 -7.596 -8.863 23.186 1.00 13.22 H new ATOM 0 HE2 HIS A 13 -6.491 -9.253 20.938 1.00 75.33 H new ATOM 221 N SER A 14 -4.562 -1.783 22.324 1.00 61.12 N ATOM 222 CA SER A 14 -3.814 -0.503 22.432 1.00 70.25 C ATOM 223 C SER A 14 -2.574 -0.521 21.499 1.00 34.11 C ATOM 224 O SER A 14 -1.443 -0.740 21.950 1.00 50.04 O ATOM 225 CB SER A 14 -3.425 -0.185 23.904 1.00 74.25 C ATOM 226 OG SER A 14 -2.742 1.059 24.016 1.00 43.23 O ATOM 0 H SER A 14 -5.553 -1.654 22.122 1.00 61.12 H new ATOM 0 HA SER A 14 -4.472 0.302 22.104 1.00 70.25 H new ATOM 0 HB2 SER A 14 -4.324 -0.162 24.520 1.00 74.25 H new ATOM 0 HB3 SER A 14 -2.792 -0.983 24.293 1.00 74.25 H new ATOM 0 HG SER A 14 -2.516 1.225 24.955 1.00 43.23 H new ATOM 232 N SER A 15 -2.825 -0.352 20.184 1.00 74.43 N ATOM 233 CA SER A 15 -1.805 -0.546 19.120 1.00 54.42 C ATOM 234 C SER A 15 -0.720 0.569 19.137 1.00 3.55 C ATOM 235 O SER A 15 -0.758 1.522 18.352 1.00 25.43 O ATOM 236 CB SER A 15 -2.501 -0.636 17.734 1.00 15.53 C ATOM 237 OG SER A 15 -3.458 -1.691 17.704 1.00 3.51 O ATOM 0 H SER A 15 -3.739 -0.077 19.825 1.00 74.43 H new ATOM 0 HA SER A 15 -1.286 -1.484 19.317 1.00 54.42 H new ATOM 0 HB2 SER A 15 -2.993 0.311 17.509 1.00 15.53 H new ATOM 0 HB3 SER A 15 -1.753 -0.799 16.958 1.00 15.53 H new ATOM 0 HG SER A 15 -3.882 -1.723 16.821 1.00 3.51 H new ATOM 243 N ARG A 16 0.227 0.448 20.082 1.00 62.40 N ATOM 244 CA ARG A 16 1.348 1.405 20.267 1.00 5.40 C ATOM 245 C ARG A 16 2.717 0.692 20.187 1.00 35.42 C ATOM 246 O ARG A 16 3.761 1.345 20.070 1.00 61.31 O ATOM 247 CB ARG A 16 1.216 2.115 21.647 1.00 50.50 C ATOM 248 CG ARG A 16 -0.073 2.948 21.849 1.00 24.41 C ATOM 249 CD ARG A 16 -0.191 4.115 20.851 1.00 5.22 C ATOM 250 NE ARG A 16 -1.364 4.958 21.131 1.00 64.51 N ATOM 251 CZ ARG A 16 -1.687 6.056 20.485 1.00 44.11 C ATOM 252 NH1 ARG A 16 -0.984 6.488 19.486 1.00 13.23 N ATOM 253 NH2 ARG A 16 -2.732 6.718 20.841 1.00 14.53 N ATOM 0 H ARG A 16 0.242 -0.323 20.750 1.00 62.40 H new ATOM 0 HA ARG A 16 1.296 2.140 19.464 1.00 5.40 H new ATOM 0 HB2 ARG A 16 1.265 1.359 22.431 1.00 50.50 H new ATOM 0 HB3 ARG A 16 2.076 2.771 21.782 1.00 50.50 H new ATOM 0 HG2 ARG A 16 -0.941 2.297 21.744 1.00 24.41 H new ATOM 0 HG3 ARG A 16 -0.090 3.342 22.865 1.00 24.41 H new ATOM 0 HD2 ARG A 16 0.712 4.723 20.895 1.00 5.22 H new ATOM 0 HD3 ARG A 16 -0.261 3.721 19.837 1.00 5.22 H new ATOM 0 HE ARG A 16 -1.978 4.665 21.891 1.00 64.51 H new ATOM 0 HH11 ARG A 16 -0.157 5.973 19.183 1.00 13.23 H new ATOM 0 HH12 ARG A 16 -1.257 7.343 19.002 1.00 13.23 H new ATOM 0 HH21 ARG A 16 -3.303 6.389 21.620 1.00 14.53 H new ATOM 0 HH22 ARG A 16 -2.989 7.571 20.344 1.00 14.53 H new ATOM 267 N LEU A 17 2.694 -0.648 20.246 1.00 32.54 N ATOM 268 CA LEU A 17 3.915 -1.470 20.388 1.00 35.04 C ATOM 269 C LEU A 17 3.794 -2.837 19.673 1.00 44.31 C ATOM 270 O LEU A 17 2.689 -3.349 19.466 1.00 62.25 O ATOM 271 CB LEU A 17 4.259 -1.699 21.897 1.00 61.23 C ATOM 272 CG LEU A 17 3.338 -2.678 22.717 1.00 2.32 C ATOM 273 CD1 LEU A 17 3.932 -2.962 24.117 1.00 64.44 C ATOM 274 CD2 LEU A 17 1.886 -2.159 22.838 1.00 22.23 C ATOM 0 H LEU A 17 1.834 -1.195 20.197 1.00 32.54 H new ATOM 0 HA LEU A 17 4.720 -0.912 19.910 1.00 35.04 H new ATOM 0 HB2 LEU A 17 5.281 -2.073 21.955 1.00 61.23 H new ATOM 0 HB3 LEU A 17 4.245 -0.730 22.395 1.00 61.23 H new ATOM 0 HG LEU A 17 3.302 -3.613 22.158 1.00 2.32 H new ATOM 0 HD11 LEU A 17 3.275 -3.641 24.660 1.00 64.44 H new ATOM 0 HD12 LEU A 17 4.916 -3.419 24.009 1.00 64.44 H new ATOM 0 HD13 LEU A 17 4.025 -2.027 24.669 1.00 64.44 H new ATOM 0 HD21 LEU A 17 1.292 -2.870 23.412 1.00 22.23 H new ATOM 0 HD22 LEU A 17 1.886 -1.194 23.344 1.00 22.23 H new ATOM 0 HD23 LEU A 17 1.456 -2.047 21.843 1.00 22.23 H new ATOM 286 N GLU A 18 4.969 -3.379 19.302 1.00 61.45 N ATOM 287 CA GLU A 18 5.166 -4.760 18.801 1.00 21.32 C ATOM 288 C GLU A 18 4.177 -5.174 17.670 1.00 0.14 C ATOM 289 O GLU A 18 3.447 -6.172 17.780 1.00 21.12 O ATOM 290 CB GLU A 18 5.165 -5.772 19.993 1.00 42.21 C ATOM 291 CG GLU A 18 6.113 -5.390 21.166 1.00 44.25 C ATOM 292 CD GLU A 18 7.502 -4.887 20.706 1.00 54.41 C ATOM 293 OE1 GLU A 18 8.293 -5.693 20.172 1.00 14.15 O ATOM 294 OE2 GLU A 18 7.796 -3.671 20.847 1.00 11.33 O ATOM 0 H GLU A 18 5.841 -2.852 19.343 1.00 61.45 H new ATOM 0 HA GLU A 18 6.145 -4.784 18.323 1.00 21.32 H new ATOM 0 HB2 GLU A 18 4.149 -5.859 20.378 1.00 42.21 H new ATOM 0 HB3 GLU A 18 5.450 -6.755 19.618 1.00 42.21 H new ATOM 0 HG2 GLU A 18 5.637 -4.616 21.768 1.00 44.25 H new ATOM 0 HG3 GLU A 18 6.246 -6.259 21.811 1.00 44.25 H new ATOM 301 N ALA A 19 4.191 -4.393 16.572 1.00 74.25 N ATOM 302 CA ALA A 19 3.331 -4.629 15.380 1.00 12.50 C ATOM 303 C ALA A 19 3.958 -5.647 14.380 1.00 21.11 C ATOM 304 O ALA A 19 3.475 -5.780 13.249 1.00 13.22 O ATOM 305 CB ALA A 19 3.055 -3.279 14.687 1.00 23.25 C ATOM 0 H ALA A 19 4.797 -3.578 16.480 1.00 74.25 H new ATOM 0 HA ALA A 19 2.395 -5.074 15.719 1.00 12.50 H new ATOM 0 HB1 ALA A 19 2.425 -3.441 13.812 1.00 23.25 H new ATOM 0 HB2 ALA A 19 2.546 -2.611 15.382 1.00 23.25 H new ATOM 0 HB3 ALA A 19 3.998 -2.830 14.377 1.00 23.25 H new ATOM 311 N HIS A 20 5.015 -6.378 14.830 1.00 44.32 N ATOM 312 CA HIS A 20 5.766 -7.364 14.009 1.00 13.20 C ATOM 313 C HIS A 20 6.384 -6.693 12.762 1.00 70.10 C ATOM 314 O HIS A 20 5.881 -6.819 11.634 1.00 0.34 O ATOM 315 CB HIS A 20 4.889 -8.602 13.652 1.00 43.13 C ATOM 316 CG HIS A 20 4.427 -9.380 14.862 1.00 21.02 C ATOM 317 ND1 HIS A 20 5.025 -10.550 15.279 1.00 10.44 N ATOM 318 CD2 HIS A 20 3.437 -9.137 15.761 1.00 24.01 C ATOM 319 CE1 HIS A 20 4.433 -10.987 16.368 1.00 21.11 C ATOM 320 NE2 HIS A 20 3.469 -10.149 16.686 1.00 71.12 N ATOM 0 H HIS A 20 5.371 -6.297 15.782 1.00 44.32 H new ATOM 0 HA HIS A 20 6.594 -7.740 14.609 1.00 13.20 H new ATOM 0 HB2 HIS A 20 4.017 -8.270 13.088 1.00 43.13 H new ATOM 0 HB3 HIS A 20 5.457 -9.264 12.999 1.00 43.13 H new ATOM 0 HD2 HIS A 20 2.752 -8.302 15.749 1.00 24.01 H new ATOM 0 HE1 HIS A 20 4.694 -11.883 16.911 1.00 21.11 H new ATOM 0 HE2 HIS A 20 2.847 -10.238 17.490 1.00 71.12 H new ATOM 329 N LEU A 21 7.473 -5.946 13.005 1.00 41.04 N ATOM 330 CA LEU A 21 8.115 -5.094 11.992 1.00 2.41 C ATOM 331 C LEU A 21 8.997 -5.921 11.024 1.00 34.32 C ATOM 332 O LEU A 21 10.175 -6.183 11.300 1.00 2.22 O ATOM 333 CB LEU A 21 8.939 -3.978 12.694 1.00 13.23 C ATOM 334 CG LEU A 21 8.151 -3.094 13.716 1.00 75.44 C ATOM 335 CD1 LEU A 21 9.060 -2.009 14.337 1.00 63.40 C ATOM 336 CD2 LEU A 21 6.886 -2.467 13.071 1.00 74.05 C ATOM 0 H LEU A 21 7.935 -5.916 13.914 1.00 41.04 H new ATOM 0 HA LEU A 21 7.336 -4.630 11.387 1.00 2.41 H new ATOM 0 HB2 LEU A 21 9.777 -4.443 13.214 1.00 13.23 H new ATOM 0 HB3 LEU A 21 9.361 -3.327 11.928 1.00 13.23 H new ATOM 0 HG LEU A 21 7.817 -3.747 14.522 1.00 75.44 H new ATOM 0 HD11 LEU A 21 8.483 -1.411 15.043 1.00 63.40 H new ATOM 0 HD12 LEU A 21 9.891 -2.485 14.858 1.00 63.40 H new ATOM 0 HD13 LEU A 21 9.448 -1.365 13.548 1.00 63.40 H new ATOM 0 HD21 LEU A 21 6.364 -1.860 13.810 1.00 74.05 H new ATOM 0 HD22 LEU A 21 7.180 -1.841 12.229 1.00 74.05 H new ATOM 0 HD23 LEU A 21 6.225 -3.260 12.721 1.00 74.05 H new ATOM 348 N THR A 22 8.384 -6.367 9.911 1.00 63.44 N ATOM 349 CA THR A 22 9.104 -7.003 8.784 1.00 31.32 C ATOM 350 C THR A 22 9.931 -5.951 8.003 1.00 44.33 C ATOM 351 O THR A 22 9.814 -4.749 8.248 1.00 74.14 O ATOM 352 CB THR A 22 8.122 -7.728 7.785 1.00 32.21 C ATOM 353 OG1 THR A 22 7.362 -6.763 7.036 1.00 4.34 O ATOM 354 CG2 THR A 22 7.146 -8.677 8.513 1.00 44.02 C ATOM 0 H THR A 22 7.377 -6.298 9.765 1.00 63.44 H new ATOM 0 HA THR A 22 9.767 -7.751 9.218 1.00 31.32 H new ATOM 0 HB THR A 22 8.741 -8.322 7.112 1.00 32.21 H new ATOM 0 HG1 THR A 22 6.759 -7.229 6.420 1.00 4.34 H new ATOM 0 HG21 THR A 22 6.490 -9.153 7.784 1.00 44.02 H new ATOM 0 HG22 THR A 22 7.711 -9.441 9.046 1.00 44.02 H new ATOM 0 HG23 THR A 22 6.547 -8.108 9.223 1.00 44.02 H new ATOM 362 N ARG A 23 10.734 -6.420 7.037 1.00 62.20 N ATOM 363 CA ARG A 23 11.562 -5.545 6.153 1.00 10.34 C ATOM 364 C ARG A 23 10.640 -4.574 5.368 1.00 0.34 C ATOM 365 O ARG A 23 10.970 -3.404 5.123 1.00 55.44 O ATOM 366 CB ARG A 23 12.391 -6.374 5.114 1.00 5.33 C ATOM 367 CG ARG A 23 13.276 -7.536 5.650 1.00 65.44 C ATOM 368 CD ARG A 23 12.476 -8.792 6.063 1.00 4.50 C ATOM 369 NE ARG A 23 11.398 -9.113 5.096 1.00 70.44 N ATOM 370 CZ ARG A 23 10.562 -10.129 5.189 1.00 61.51 C ATOM 371 NH1 ARG A 23 10.681 -11.040 6.104 1.00 52.42 N ATOM 372 NH2 ARG A 23 9.593 -10.230 4.341 1.00 35.03 N ATOM 0 H ARG A 23 10.837 -7.415 6.836 1.00 62.20 H new ATOM 0 HA ARG A 23 12.252 -5.000 6.797 1.00 10.34 H new ATOM 0 HB2 ARG A 23 11.694 -6.792 4.387 1.00 5.33 H new ATOM 0 HB3 ARG A 23 13.038 -5.683 4.574 1.00 5.33 H new ATOM 0 HG2 ARG A 23 13.999 -7.813 4.882 1.00 65.44 H new ATOM 0 HG3 ARG A 23 13.845 -7.180 6.509 1.00 65.44 H new ATOM 0 HD2 ARG A 23 13.154 -9.642 6.144 1.00 4.50 H new ATOM 0 HD3 ARG A 23 12.041 -8.635 7.050 1.00 4.50 H new ATOM 0 HE ARG A 23 11.294 -8.496 4.291 1.00 70.44 H new ATOM 0 HH11 ARG A 23 11.440 -10.985 6.783 1.00 52.42 H new ATOM 0 HH12 ARG A 23 10.015 -11.812 6.145 1.00 52.42 H new ATOM 0 HH21 ARG A 23 9.480 -9.528 3.609 1.00 35.03 H new ATOM 0 HH22 ARG A 23 8.940 -11.011 4.403 1.00 35.03 H new ATOM 386 N ASP A 24 9.471 -5.123 5.006 1.00 43.20 N ATOM 387 CA ASP A 24 8.414 -4.431 4.262 1.00 54.02 C ATOM 388 C ASP A 24 7.674 -3.408 5.164 1.00 4.22 C ATOM 389 O ASP A 24 7.354 -2.305 4.720 1.00 61.34 O ATOM 390 CB ASP A 24 7.427 -5.483 3.696 1.00 54.04 C ATOM 391 CG ASP A 24 8.139 -6.626 2.949 1.00 34.42 C ATOM 392 OD1 ASP A 24 8.605 -7.585 3.616 1.00 42.04 O ATOM 393 OD2 ASP A 24 8.271 -6.563 1.710 1.00 73.51 O ATOM 0 H ASP A 24 9.230 -6.088 5.230 1.00 43.20 H new ATOM 0 HA ASP A 24 8.861 -3.872 3.440 1.00 54.02 H new ATOM 0 HB2 ASP A 24 6.839 -5.900 4.514 1.00 54.04 H new ATOM 0 HB3 ASP A 24 6.728 -4.992 3.019 1.00 54.04 H new ATOM 398 N GLU A 25 7.399 -3.800 6.431 1.00 24.51 N ATOM 399 CA GLU A 25 6.753 -2.921 7.445 1.00 64.23 C ATOM 400 C GLU A 25 7.606 -1.663 7.736 1.00 13.41 C ATOM 401 O GLU A 25 7.070 -0.563 7.901 1.00 45.51 O ATOM 402 CB GLU A 25 6.497 -3.718 8.762 1.00 72.34 C ATOM 403 CG GLU A 25 5.328 -4.740 8.711 1.00 44.22 C ATOM 404 CD GLU A 25 3.940 -4.100 8.915 1.00 40.03 C ATOM 405 OE1 GLU A 25 3.377 -3.525 7.957 1.00 51.00 O ATOM 406 OE2 GLU A 25 3.430 -4.114 10.059 1.00 22.21 O ATOM 0 H GLU A 25 7.617 -4.733 6.782 1.00 24.51 H new ATOM 0 HA GLU A 25 5.799 -2.586 7.037 1.00 64.23 H new ATOM 0 HB2 GLU A 25 7.410 -4.251 9.027 1.00 72.34 H new ATOM 0 HB3 GLU A 25 6.299 -3.006 9.564 1.00 72.34 H new ATOM 0 HG2 GLU A 25 5.345 -5.251 7.749 1.00 44.22 H new ATOM 0 HG3 GLU A 25 5.486 -5.498 9.478 1.00 44.22 H new ATOM 413 N LEU A 26 8.937 -1.850 7.782 1.00 11.25 N ATOM 414 CA LEU A 26 9.907 -0.758 8.018 1.00 11.34 C ATOM 415 C LEU A 26 9.903 0.278 6.865 1.00 74.42 C ATOM 416 O LEU A 26 9.787 1.483 7.108 1.00 62.22 O ATOM 417 CB LEU A 26 11.330 -1.349 8.202 1.00 63.35 C ATOM 418 CG LEU A 26 11.525 -2.293 9.432 1.00 74.52 C ATOM 419 CD1 LEU A 26 12.905 -2.988 9.405 1.00 45.34 C ATOM 420 CD2 LEU A 26 11.309 -1.538 10.765 1.00 44.42 C ATOM 0 H LEU A 26 9.374 -2.763 7.657 1.00 11.25 H new ATOM 0 HA LEU A 26 9.607 -0.236 8.927 1.00 11.34 H new ATOM 0 HB2 LEU A 26 11.592 -1.902 7.300 1.00 63.35 H new ATOM 0 HB3 LEU A 26 12.037 -0.524 8.287 1.00 63.35 H new ATOM 0 HG LEU A 26 10.764 -3.070 9.363 1.00 74.52 H new ATOM 0 HD11 LEU A 26 13.003 -3.636 10.276 1.00 45.34 H new ATOM 0 HD12 LEU A 26 12.994 -3.585 8.497 1.00 45.34 H new ATOM 0 HD13 LEU A 26 13.692 -2.234 9.423 1.00 45.34 H new ATOM 0 HD21 LEU A 26 11.452 -2.225 11.599 1.00 44.42 H new ATOM 0 HD22 LEU A 26 12.026 -0.720 10.840 1.00 44.42 H new ATOM 0 HD23 LEU A 26 10.296 -1.136 10.796 1.00 44.42 H new ATOM 432 N ARG A 27 10.011 -0.216 5.608 1.00 53.23 N ATOM 433 CA ARG A 27 10.054 0.651 4.401 1.00 75.01 C ATOM 434 C ARG A 27 8.681 1.331 4.132 1.00 23.14 C ATOM 435 O ARG A 27 8.629 2.443 3.595 1.00 53.54 O ATOM 436 CB ARG A 27 10.530 -0.157 3.151 1.00 43.21 C ATOM 437 CG ARG A 27 9.511 -1.178 2.603 1.00 60.51 C ATOM 438 CD ARG A 27 10.063 -2.052 1.462 1.00 3.43 C ATOM 439 NE ARG A 27 11.130 -2.961 1.926 1.00 34.33 N ATOM 440 CZ ARG A 27 11.260 -4.228 1.587 1.00 31.42 C ATOM 441 NH1 ARG A 27 10.417 -4.808 0.792 1.00 61.04 N ATOM 442 NH2 ARG A 27 12.245 -4.910 2.052 1.00 62.42 N ATOM 0 H ARG A 27 10.070 -1.213 5.401 1.00 53.23 H new ATOM 0 HA ARG A 27 10.778 1.442 4.593 1.00 75.01 H new ATOM 0 HB2 ARG A 27 10.779 0.546 2.356 1.00 43.21 H new ATOM 0 HB3 ARG A 27 11.448 -0.686 3.408 1.00 43.21 H new ATOM 0 HG2 ARG A 27 9.183 -1.824 3.418 1.00 60.51 H new ATOM 0 HG3 ARG A 27 8.631 -0.644 2.246 1.00 60.51 H new ATOM 0 HD2 ARG A 27 9.252 -2.637 1.029 1.00 3.43 H new ATOM 0 HD3 ARG A 27 10.452 -1.411 0.671 1.00 3.43 H new ATOM 0 HE ARG A 27 11.826 -2.575 2.564 1.00 34.33 H new ATOM 0 HH11 ARG A 27 9.629 -4.283 0.412 1.00 61.04 H new ATOM 0 HH12 ARG A 27 10.541 -5.790 0.546 1.00 61.04 H new ATOM 0 HH21 ARG A 27 12.919 -4.470 2.679 1.00 62.42 H new ATOM 0 HH22 ARG A 27 12.353 -5.891 1.794 1.00 62.42 H new ATOM 456 N ALA A 28 7.578 0.644 4.512 1.00 73.44 N ATOM 457 CA ALA A 28 6.203 1.169 4.361 1.00 20.20 C ATOM 458 C ALA A 28 5.976 2.390 5.266 1.00 44.35 C ATOM 459 O ALA A 28 5.608 3.469 4.797 1.00 25.22 O ATOM 460 CB ALA A 28 5.171 0.067 4.664 1.00 10.24 C ATOM 0 H ALA A 28 7.617 -0.286 4.930 1.00 73.44 H new ATOM 0 HA ALA A 28 6.073 1.490 3.328 1.00 20.20 H new ATOM 0 HB1 ALA A 28 4.165 0.469 4.548 1.00 10.24 H new ATOM 0 HB2 ALA A 28 5.312 -0.763 3.972 1.00 10.24 H new ATOM 0 HB3 ALA A 28 5.305 -0.286 5.686 1.00 10.24 H new ATOM 466 N LYS A 29 6.251 2.212 6.564 1.00 23.24 N ATOM 467 CA LYS A 29 6.100 3.272 7.580 1.00 52.22 C ATOM 468 C LYS A 29 7.137 4.413 7.381 1.00 24.32 C ATOM 469 O LYS A 29 6.905 5.544 7.811 1.00 32.43 O ATOM 470 CB LYS A 29 6.167 2.644 8.998 1.00 52.21 C ATOM 471 CG LYS A 29 5.024 1.630 9.272 1.00 12.12 C ATOM 472 CD LYS A 29 5.118 0.948 10.657 1.00 54.12 C ATOM 473 CE LYS A 29 3.989 -0.071 10.904 1.00 51.13 C ATOM 474 NZ LYS A 29 3.971 -1.154 9.886 1.00 31.34 N ATOM 0 H LYS A 29 6.586 1.327 6.945 1.00 23.24 H new ATOM 0 HA LYS A 29 5.122 3.740 7.463 1.00 52.22 H new ATOM 0 HB2 LYS A 29 7.127 2.142 9.121 1.00 52.21 H new ATOM 0 HB3 LYS A 29 6.125 3.439 9.743 1.00 52.21 H new ATOM 0 HG2 LYS A 29 4.067 2.145 9.195 1.00 12.12 H new ATOM 0 HG3 LYS A 29 5.037 0.863 8.497 1.00 12.12 H new ATOM 0 HD2 LYS A 29 6.080 0.444 10.743 1.00 54.12 H new ATOM 0 HD3 LYS A 29 5.088 1.711 11.435 1.00 54.12 H new ATOM 0 HE2 LYS A 29 4.109 -0.509 11.895 1.00 51.13 H new ATOM 0 HE3 LYS A 29 3.029 0.446 10.898 1.00 51.13 H new ATOM 0 HZ1 LYS A 29 3.632 -2.035 10.322 1.00 31.34 H new ATOM 0 HZ2 LYS A 29 3.336 -0.887 9.107 1.00 31.34 H new ATOM 0 HZ3 LYS A 29 4.932 -1.298 9.516 1.00 31.34 H new ATOM 488 N ALA A 30 8.271 4.100 6.706 1.00 32.23 N ATOM 489 CA ALA A 30 9.271 5.114 6.274 1.00 40.32 C ATOM 490 C ALA A 30 8.688 6.067 5.192 1.00 31.01 C ATOM 491 O ALA A 30 8.884 7.288 5.251 1.00 24.14 O ATOM 492 CB ALA A 30 10.537 4.420 5.749 1.00 10.54 C ATOM 0 H ALA A 30 8.519 3.145 6.446 1.00 32.23 H new ATOM 0 HA ALA A 30 9.530 5.719 7.143 1.00 40.32 H new ATOM 0 HB1 ALA A 30 11.261 5.172 5.436 1.00 10.54 H new ATOM 0 HB2 ALA A 30 10.970 3.806 6.539 1.00 10.54 H new ATOM 0 HB3 ALA A 30 10.280 3.788 4.899 1.00 10.54 H new ATOM 498 N LEU A 31 7.965 5.486 4.208 1.00 24.33 N ATOM 499 CA LEU A 31 7.204 6.256 3.179 1.00 34.02 C ATOM 500 C LEU A 31 5.802 6.688 3.690 1.00 24.24 C ATOM 501 O LEU A 31 5.016 7.271 2.934 1.00 72.53 O ATOM 502 CB LEU A 31 7.092 5.427 1.861 1.00 75.34 C ATOM 503 CG LEU A 31 8.363 5.444 0.950 1.00 74.02 C ATOM 504 CD1 LEU A 31 8.223 4.477 -0.243 1.00 62.42 C ATOM 505 CD2 LEU A 31 8.666 6.881 0.456 1.00 34.34 C ATOM 0 H LEU A 31 7.888 4.475 4.099 1.00 24.33 H new ATOM 0 HA LEU A 31 7.758 7.172 2.972 1.00 34.02 H new ATOM 0 HB2 LEU A 31 6.865 4.393 2.120 1.00 75.34 H new ATOM 0 HB3 LEU A 31 6.247 5.804 1.285 1.00 75.34 H new ATOM 0 HG LEU A 31 9.202 5.101 1.555 1.00 74.02 H new ATOM 0 HD11 LEU A 31 9.126 4.518 -0.852 1.00 62.42 H new ATOM 0 HD12 LEU A 31 8.080 3.462 0.127 1.00 62.42 H new ATOM 0 HD13 LEU A 31 7.364 4.767 -0.848 1.00 62.42 H new ATOM 0 HD21 LEU A 31 9.554 6.869 -0.176 1.00 34.34 H new ATOM 0 HD22 LEU A 31 7.818 7.255 -0.117 1.00 34.34 H new ATOM 0 HD23 LEU A 31 8.840 7.531 1.313 1.00 34.34 H new ATOM 517 N HIS A 32 5.524 6.393 4.974 1.00 62.14 N ATOM 518 CA HIS A 32 4.302 6.812 5.693 1.00 13.43 C ATOM 519 C HIS A 32 3.010 6.277 5.014 1.00 4.41 C ATOM 520 O HIS A 32 2.056 7.025 4.758 1.00 0.04 O ATOM 521 CB HIS A 32 4.284 8.361 5.882 1.00 31.00 C ATOM 522 CG HIS A 32 3.292 8.864 6.907 1.00 73.11 C ATOM 523 ND1 HIS A 32 2.016 9.275 6.590 1.00 64.32 N ATOM 524 CD2 HIS A 32 3.402 9.024 8.254 1.00 31.13 C ATOM 525 CE1 HIS A 32 1.391 9.669 7.680 1.00 33.34 C ATOM 526 NE2 HIS A 32 2.206 9.522 8.701 1.00 54.45 N ATOM 0 H HIS A 32 6.157 5.844 5.556 1.00 62.14 H new ATOM 0 HA HIS A 32 4.322 6.361 6.685 1.00 13.43 H new ATOM 0 HB2 HIS A 32 5.282 8.689 6.172 1.00 31.00 H new ATOM 0 HB3 HIS A 32 4.061 8.827 4.922 1.00 31.00 H new ATOM 0 HD2 HIS A 32 4.269 8.800 8.858 1.00 31.13 H new ATOM 0 HE1 HIS A 32 0.381 10.048 7.727 1.00 33.34 H new ATOM 0 HE2 HIS A 32 1.984 9.743 9.672 1.00 54.45 H new ATOM 535 N ILE A 33 3.010 4.963 4.714 1.00 52.12 N ATOM 536 CA ILE A 33 1.798 4.235 4.289 1.00 11.21 C ATOM 537 C ILE A 33 0.820 4.154 5.498 1.00 11.51 C ATOM 538 O ILE A 33 1.196 3.605 6.542 1.00 24.24 O ATOM 539 CB ILE A 33 2.140 2.775 3.776 1.00 15.24 C ATOM 540 CG1 ILE A 33 3.223 2.799 2.645 1.00 75.52 C ATOM 541 CG2 ILE A 33 0.867 2.026 3.296 1.00 44.14 C ATOM 542 CD1 ILE A 33 2.834 3.547 1.387 1.00 12.13 C ATOM 0 H ILE A 33 3.845 4.379 4.759 1.00 52.12 H new ATOM 0 HA ILE A 33 1.340 4.773 3.459 1.00 11.21 H new ATOM 0 HB ILE A 33 2.553 2.230 4.625 1.00 15.24 H new ATOM 0 HG12 ILE A 33 4.133 3.246 3.046 1.00 75.52 H new ATOM 0 HG13 ILE A 33 3.465 1.771 2.376 1.00 75.52 H new ATOM 0 HG21 ILE A 33 1.140 1.029 2.951 1.00 44.14 H new ATOM 0 HG22 ILE A 33 0.160 1.944 4.122 1.00 44.14 H new ATOM 0 HG23 ILE A 33 0.406 2.579 2.478 1.00 44.14 H new ATOM 0 HD11 ILE A 33 3.653 3.503 0.669 1.00 12.13 H new ATOM 0 HD12 ILE A 33 1.945 3.090 0.952 1.00 12.13 H new ATOM 0 HD13 ILE A 33 2.623 4.588 1.633 1.00 12.13 H new ATOM 554 N PRO A 34 -0.433 4.713 5.396 1.00 11.54 N ATOM 555 CA PRO A 34 -1.389 4.761 6.548 1.00 63.31 C ATOM 556 C PRO A 34 -1.986 3.374 6.932 1.00 72.53 C ATOM 557 O PRO A 34 -2.741 3.264 7.905 1.00 14.34 O ATOM 558 CB PRO A 34 -2.483 5.741 6.042 1.00 43.44 C ATOM 559 CG PRO A 34 -2.471 5.573 4.552 1.00 63.53 C ATOM 560 CD PRO A 34 -1.019 5.342 4.175 1.00 13.02 C ATOM 0 HA PRO A 34 -0.901 5.078 7.470 1.00 63.31 H new ATOM 0 HB2 PRO A 34 -3.459 5.498 6.462 1.00 43.44 H new ATOM 0 HB3 PRO A 34 -2.260 6.769 6.328 1.00 43.44 H new ATOM 0 HG2 PRO A 34 -3.093 4.731 4.248 1.00 63.53 H new ATOM 0 HG3 PRO A 34 -2.868 6.458 4.055 1.00 63.53 H new ATOM 0 HD2 PRO A 34 -0.930 4.690 3.306 1.00 13.02 H new ATOM 0 HD3 PRO A 34 -0.516 6.276 3.925 1.00 13.02 H new ATOM 568 N PHE A 35 -1.644 2.330 6.151 1.00 42.53 N ATOM 569 CA PHE A 35 -2.111 0.941 6.369 1.00 23.44 C ATOM 570 C PHE A 35 -0.895 -0.024 6.519 1.00 44.22 C ATOM 571 O PHE A 35 0.203 0.294 6.043 1.00 44.51 O ATOM 572 CB PHE A 35 -2.980 0.488 5.163 1.00 20.34 C ATOM 573 CG PHE A 35 -4.115 1.444 4.770 1.00 53.30 C ATOM 574 CD1 PHE A 35 -5.067 1.861 5.703 1.00 43.32 C ATOM 575 CD2 PHE A 35 -4.221 1.930 3.463 1.00 10.13 C ATOM 576 CE1 PHE A 35 -6.089 2.724 5.340 1.00 72.10 C ATOM 577 CE2 PHE A 35 -5.242 2.786 3.104 1.00 42.43 C ATOM 578 CZ PHE A 35 -6.174 3.189 4.042 1.00 11.35 C ATOM 0 H PHE A 35 -1.030 2.426 5.342 1.00 42.53 H new ATOM 0 HA PHE A 35 -2.703 0.911 7.284 1.00 23.44 H new ATOM 0 HB2 PHE A 35 -2.329 0.351 4.300 1.00 20.34 H new ATOM 0 HB3 PHE A 35 -3.412 -0.486 5.394 1.00 20.34 H new ATOM 0 HD1 PHE A 35 -5.006 1.506 6.721 1.00 43.32 H new ATOM 0 HD2 PHE A 35 -3.493 1.631 2.724 1.00 10.13 H new ATOM 0 HE1 PHE A 35 -6.820 3.033 6.073 1.00 72.10 H new ATOM 0 HE2 PHE A 35 -5.313 3.142 2.087 1.00 42.43 H new ATOM 0 HZ PHE A 35 -6.967 3.866 3.761 1.00 11.35 H new ATOM 588 N PRO A 36 -1.053 -1.224 7.185 1.00 10.02 N ATOM 589 CA PRO A 36 0.014 -2.264 7.195 1.00 65.45 C ATOM 590 C PRO A 36 0.182 -2.964 5.816 1.00 71.32 C ATOM 591 O PRO A 36 -0.744 -2.978 4.994 1.00 62.23 O ATOM 592 CB PRO A 36 -0.469 -3.260 8.284 1.00 1.32 C ATOM 593 CG PRO A 36 -1.960 -3.114 8.285 1.00 41.44 C ATOM 594 CD PRO A 36 -2.226 -1.643 8.004 1.00 32.34 C ATOM 0 HA PRO A 36 0.998 -1.843 7.400 1.00 65.45 H new ATOM 0 HB2 PRO A 36 -0.170 -4.282 8.050 1.00 1.32 H new ATOM 0 HB3 PRO A 36 -0.045 -3.019 9.259 1.00 1.32 H new ATOM 0 HG2 PRO A 36 -2.417 -3.747 7.524 1.00 41.44 H new ATOM 0 HG3 PRO A 36 -2.383 -3.413 9.244 1.00 41.44 H new ATOM 0 HD2 PRO A 36 -3.163 -1.501 7.465 1.00 32.34 H new ATOM 0 HD3 PRO A 36 -2.298 -1.066 8.926 1.00 32.34 H new ATOM 602 N VAL A 37 1.371 -3.557 5.601 1.00 25.22 N ATOM 603 CA VAL A 37 1.750 -4.257 4.344 1.00 24.55 C ATOM 604 C VAL A 37 0.741 -5.364 3.948 1.00 20.53 C ATOM 605 O VAL A 37 0.337 -5.455 2.780 1.00 32.23 O ATOM 606 CB VAL A 37 3.204 -4.856 4.497 1.00 23.21 C ATOM 607 CG1 VAL A 37 3.617 -5.796 3.335 1.00 4.32 C ATOM 608 CG2 VAL A 37 4.221 -3.711 4.662 1.00 45.23 C ATOM 0 H VAL A 37 2.112 -3.567 6.302 1.00 25.22 H new ATOM 0 HA VAL A 37 1.733 -3.524 3.537 1.00 24.55 H new ATOM 0 HB VAL A 37 3.196 -5.480 5.391 1.00 23.21 H new ATOM 0 HG11 VAL A 37 4.626 -6.168 3.509 1.00 4.32 H new ATOM 0 HG12 VAL A 37 2.924 -6.636 3.283 1.00 4.32 H new ATOM 0 HG13 VAL A 37 3.591 -5.245 2.395 1.00 4.32 H new ATOM 0 HG21 VAL A 37 5.223 -4.127 4.767 1.00 45.23 H new ATOM 0 HG22 VAL A 37 4.187 -3.065 3.785 1.00 45.23 H new ATOM 0 HG23 VAL A 37 3.974 -3.130 5.551 1.00 45.23 H new ATOM 618 N GLU A 38 0.320 -6.173 4.941 1.00 64.51 N ATOM 619 CA GLU A 38 -0.659 -7.271 4.740 1.00 73.01 C ATOM 620 C GLU A 38 -2.007 -6.758 4.161 1.00 23.14 C ATOM 621 O GLU A 38 -2.647 -7.443 3.358 1.00 52.02 O ATOM 622 CB GLU A 38 -0.900 -8.004 6.091 1.00 73.22 C ATOM 623 CG GLU A 38 -1.836 -9.238 6.003 1.00 14.10 C ATOM 624 CD GLU A 38 -2.105 -9.906 7.371 1.00 44.23 C ATOM 625 OE1 GLU A 38 -3.023 -9.452 8.095 1.00 45.44 O ATOM 626 OE2 GLU A 38 -1.409 -10.890 7.723 1.00 41.25 O ATOM 0 H GLU A 38 0.645 -6.088 5.904 1.00 64.51 H new ATOM 0 HA GLU A 38 -0.239 -7.963 4.010 1.00 73.01 H new ATOM 0 HB2 GLU A 38 0.062 -8.323 6.492 1.00 73.22 H new ATOM 0 HB3 GLU A 38 -1.323 -7.295 6.803 1.00 73.22 H new ATOM 0 HG2 GLU A 38 -2.786 -8.933 5.563 1.00 14.10 H new ATOM 0 HG3 GLU A 38 -1.394 -9.972 5.330 1.00 14.10 H new ATOM 633 N LYS A 39 -2.404 -5.529 4.559 1.00 63.23 N ATOM 634 CA LYS A 39 -3.686 -4.923 4.139 1.00 22.35 C ATOM 635 C LYS A 39 -3.670 -4.503 2.649 1.00 65.15 C ATOM 636 O LYS A 39 -4.660 -4.698 1.952 1.00 13.31 O ATOM 637 CB LYS A 39 -4.043 -3.720 5.048 1.00 44.43 C ATOM 638 CG LYS A 39 -5.452 -3.129 4.796 1.00 52.43 C ATOM 639 CD LYS A 39 -5.809 -1.971 5.759 1.00 71.42 C ATOM 640 CE LYS A 39 -7.211 -1.394 5.497 1.00 34.13 C ATOM 641 NZ LYS A 39 -8.285 -2.394 5.733 1.00 44.01 N ATOM 0 H LYS A 39 -1.850 -4.934 5.175 1.00 63.23 H new ATOM 0 HA LYS A 39 -4.458 -5.685 4.249 1.00 22.35 H new ATOM 0 HB2 LYS A 39 -3.974 -4.033 6.090 1.00 44.43 H new ATOM 0 HB3 LYS A 39 -3.301 -2.935 4.901 1.00 44.43 H new ATOM 0 HG2 LYS A 39 -5.510 -2.769 3.769 1.00 52.43 H new ATOM 0 HG3 LYS A 39 -6.195 -3.920 4.899 1.00 52.43 H new ATOM 0 HD2 LYS A 39 -5.754 -2.328 6.787 1.00 71.42 H new ATOM 0 HD3 LYS A 39 -5.069 -1.177 5.657 1.00 71.42 H new ATOM 0 HE2 LYS A 39 -7.373 -0.531 6.143 1.00 34.13 H new ATOM 0 HE3 LYS A 39 -7.269 -1.038 4.468 1.00 34.13 H new ATOM 0 HZ1 LYS A 39 -9.213 -1.934 5.643 1.00 44.01 H new ATOM 0 HZ2 LYS A 39 -8.208 -3.158 5.032 1.00 44.01 H new ATOM 0 HZ3 LYS A 39 -8.186 -2.790 6.689 1.00 44.01 H new ATOM 655 N ILE A 40 -2.540 -3.943 2.166 1.00 42.41 N ATOM 656 CA ILE A 40 -2.367 -3.587 0.723 1.00 12.05 C ATOM 657 C ILE A 40 -2.452 -4.866 -0.158 1.00 61.54 C ATOM 658 O ILE A 40 -3.094 -4.872 -1.220 1.00 64.53 O ATOM 659 CB ILE A 40 -1.000 -2.815 0.451 1.00 25.33 C ATOM 660 CG1 ILE A 40 -1.063 -1.313 0.905 1.00 22.32 C ATOM 661 CG2 ILE A 40 -0.580 -2.887 -1.039 1.00 34.13 C ATOM 662 CD1 ILE A 40 -1.258 -1.074 2.390 1.00 30.51 C ATOM 0 H ILE A 40 -1.730 -3.724 2.746 1.00 42.41 H new ATOM 0 HA ILE A 40 -3.177 -2.909 0.455 1.00 12.05 H new ATOM 0 HB ILE A 40 -0.248 -3.325 1.053 1.00 25.33 H new ATOM 0 HG12 ILE A 40 -0.140 -0.822 0.596 1.00 22.32 H new ATOM 0 HG13 ILE A 40 -1.878 -0.826 0.369 1.00 22.32 H new ATOM 0 HG21 ILE A 40 0.357 -2.348 -1.179 1.00 34.13 H new ATOM 0 HG22 ILE A 40 -0.446 -3.929 -1.329 1.00 34.13 H new ATOM 0 HG23 ILE A 40 -1.355 -2.435 -1.658 1.00 34.13 H new ATOM 0 HD11 ILE A 40 -1.286 -0.002 2.585 1.00 30.51 H new ATOM 0 HD12 ILE A 40 -2.196 -1.526 2.711 1.00 30.51 H new ATOM 0 HD13 ILE A 40 -0.432 -1.522 2.942 1.00 30.51 H new ATOM 674 N ILE A 41 -1.791 -5.937 0.320 1.00 30.14 N ATOM 675 CA ILE A 41 -1.853 -7.288 -0.287 1.00 0.42 C ATOM 676 C ILE A 41 -3.310 -7.832 -0.294 1.00 41.54 C ATOM 677 O ILE A 41 -3.741 -8.489 -1.252 1.00 31.01 O ATOM 678 CB ILE A 41 -0.915 -8.277 0.514 1.00 5.52 C ATOM 679 CG1 ILE A 41 0.573 -7.796 0.440 1.00 52.45 C ATOM 680 CG2 ILE A 41 -1.057 -9.749 0.032 1.00 4.33 C ATOM 681 CD1 ILE A 41 1.560 -8.596 1.279 1.00 75.13 C ATOM 0 H ILE A 41 -1.193 -5.893 1.145 1.00 30.14 H new ATOM 0 HA ILE A 41 -1.511 -7.216 -1.320 1.00 0.42 H new ATOM 0 HB ILE A 41 -1.236 -8.261 1.556 1.00 5.52 H new ATOM 0 HG12 ILE A 41 0.896 -7.829 -0.600 1.00 52.45 H new ATOM 0 HG13 ILE A 41 0.616 -6.753 0.755 1.00 52.45 H new ATOM 0 HG21 ILE A 41 -0.392 -10.388 0.613 1.00 4.33 H new ATOM 0 HG22 ILE A 41 -2.087 -10.078 0.167 1.00 4.33 H new ATOM 0 HG23 ILE A 41 -0.791 -9.814 -1.023 1.00 4.33 H new ATOM 0 HD11 ILE A 41 2.561 -8.182 1.157 1.00 75.13 H new ATOM 0 HD12 ILE A 41 1.271 -8.544 2.329 1.00 75.13 H new ATOM 0 HD13 ILE A 41 1.556 -9.636 0.953 1.00 75.13 H new ATOM 693 N ASN A 42 -4.054 -7.533 0.788 1.00 44.21 N ATOM 694 CA ASN A 42 -5.433 -8.028 0.998 1.00 71.12 C ATOM 695 C ASN A 42 -6.468 -7.257 0.138 1.00 10.33 C ATOM 696 O ASN A 42 -7.477 -7.832 -0.278 1.00 4.44 O ATOM 697 CB ASN A 42 -5.798 -7.928 2.504 1.00 41.34 C ATOM 698 CG ASN A 42 -7.073 -8.682 2.893 1.00 1.15 C ATOM 699 OD1 ASN A 42 -7.859 -8.216 3.711 1.00 3.15 O ATOM 700 ND2 ASN A 42 -7.256 -9.883 2.363 1.00 11.03 N ATOM 0 H ASN A 42 -3.716 -6.939 1.545 1.00 44.21 H new ATOM 0 HA ASN A 42 -5.467 -9.070 0.680 1.00 71.12 H new ATOM 0 HB2 ASN A 42 -4.967 -8.314 3.094 1.00 41.34 H new ATOM 0 HB3 ASN A 42 -5.916 -6.877 2.769 1.00 41.34 H new ATOM 0 HD21 ASN A 42 -8.065 -10.442 2.634 1.00 11.03 H new ATOM 0 HD22 ASN A 42 -6.588 -10.248 1.684 1.00 11.03 H new ATOM 707 N LEU A 43 -6.196 -5.966 -0.117 1.00 61.10 N ATOM 708 CA LEU A 43 -7.088 -5.076 -0.899 1.00 4.01 C ATOM 709 C LEU A 43 -6.965 -5.336 -2.427 1.00 24.13 C ATOM 710 O LEU A 43 -5.906 -5.074 -3.012 1.00 72.35 O ATOM 711 CB LEU A 43 -6.760 -3.582 -0.584 1.00 43.14 C ATOM 712 CG LEU A 43 -7.152 -3.079 0.848 1.00 14.12 C ATOM 713 CD1 LEU A 43 -6.552 -1.684 1.147 1.00 43.01 C ATOM 714 CD2 LEU A 43 -8.690 -3.080 1.038 1.00 25.12 C ATOM 0 H LEU A 43 -5.349 -5.503 0.212 1.00 61.10 H new ATOM 0 HA LEU A 43 -8.115 -5.294 -0.606 1.00 4.01 H new ATOM 0 HB2 LEU A 43 -5.689 -3.429 -0.721 1.00 43.14 H new ATOM 0 HB3 LEU A 43 -7.267 -2.957 -1.319 1.00 43.14 H new ATOM 0 HG LEU A 43 -6.725 -3.777 1.568 1.00 14.12 H new ATOM 0 HD11 LEU A 43 -6.845 -1.369 2.148 1.00 43.01 H new ATOM 0 HD12 LEU A 43 -5.465 -1.735 1.087 1.00 43.01 H new ATOM 0 HD13 LEU A 43 -6.923 -0.964 0.417 1.00 43.01 H new ATOM 0 HD21 LEU A 43 -8.933 -2.727 2.040 1.00 25.12 H new ATOM 0 HD22 LEU A 43 -9.148 -2.422 0.300 1.00 25.12 H new ATOM 0 HD23 LEU A 43 -9.072 -4.093 0.908 1.00 25.12 H new ATOM 726 N PRO A 44 -8.046 -5.865 -3.106 1.00 32.35 N ATOM 727 CA PRO A 44 -8.083 -5.982 -4.590 1.00 15.42 C ATOM 728 C PRO A 44 -8.123 -4.591 -5.278 1.00 21.33 C ATOM 729 O PRO A 44 -8.447 -3.584 -4.638 1.00 63.42 O ATOM 730 CB PRO A 44 -9.383 -6.803 -4.869 1.00 4.14 C ATOM 731 CG PRO A 44 -9.755 -7.402 -3.540 1.00 42.03 C ATOM 732 CD PRO A 44 -9.294 -6.401 -2.506 1.00 13.10 C ATOM 0 HA PRO A 44 -7.191 -6.463 -4.991 1.00 15.42 H new ATOM 0 HB2 PRO A 44 -10.179 -6.164 -5.251 1.00 4.14 H new ATOM 0 HB3 PRO A 44 -9.209 -7.577 -5.616 1.00 4.14 H new ATOM 0 HG2 PRO A 44 -10.830 -7.571 -3.472 1.00 42.03 H new ATOM 0 HG3 PRO A 44 -9.271 -8.368 -3.395 1.00 42.03 H new ATOM 0 HD2 PRO A 44 -10.034 -5.617 -2.343 1.00 13.10 H new ATOM 0 HD3 PRO A 44 -9.110 -6.872 -1.540 1.00 13.10 H new ATOM 740 N VAL A 45 -7.810 -4.550 -6.591 1.00 41.13 N ATOM 741 CA VAL A 45 -7.651 -3.280 -7.344 1.00 21.51 C ATOM 742 C VAL A 45 -8.975 -2.471 -7.420 1.00 0.42 C ATOM 743 O VAL A 45 -8.953 -1.255 -7.260 1.00 50.03 O ATOM 744 CB VAL A 45 -7.073 -3.533 -8.790 1.00 41.05 C ATOM 745 CG1 VAL A 45 -6.903 -2.211 -9.577 1.00 12.24 C ATOM 746 CG2 VAL A 45 -5.728 -4.297 -8.719 1.00 71.42 C ATOM 0 H VAL A 45 -7.661 -5.385 -7.157 1.00 41.13 H new ATOM 0 HA VAL A 45 -6.931 -2.679 -6.788 1.00 21.51 H new ATOM 0 HB VAL A 45 -7.796 -4.148 -9.326 1.00 41.05 H new ATOM 0 HG11 VAL A 45 -6.503 -2.426 -10.568 1.00 12.24 H new ATOM 0 HG12 VAL A 45 -7.871 -1.719 -9.676 1.00 12.24 H new ATOM 0 HG13 VAL A 45 -6.216 -1.555 -9.043 1.00 12.24 H new ATOM 0 HG21 VAL A 45 -5.349 -4.460 -9.728 1.00 71.42 H new ATOM 0 HG22 VAL A 45 -5.006 -3.711 -8.150 1.00 71.42 H new ATOM 0 HG23 VAL A 45 -5.881 -5.259 -8.229 1.00 71.42 H new ATOM 756 N VAL A 46 -10.117 -3.164 -7.622 1.00 21.00 N ATOM 757 CA VAL A 46 -11.464 -2.521 -7.655 1.00 21.13 C ATOM 758 C VAL A 46 -11.783 -1.798 -6.318 1.00 33.23 C ATOM 759 O VAL A 46 -12.158 -0.616 -6.304 1.00 23.32 O ATOM 760 CB VAL A 46 -12.595 -3.578 -7.958 1.00 63.14 C ATOM 761 CG1 VAL A 46 -14.006 -2.937 -7.953 1.00 35.15 C ATOM 762 CG2 VAL A 46 -12.326 -4.303 -9.295 1.00 12.25 C ATOM 0 H VAL A 46 -10.140 -4.174 -7.766 1.00 21.00 H new ATOM 0 HA VAL A 46 -11.441 -1.783 -8.457 1.00 21.13 H new ATOM 0 HB VAL A 46 -12.572 -4.314 -7.155 1.00 63.14 H new ATOM 0 HG11 VAL A 46 -14.754 -3.701 -8.166 1.00 35.15 H new ATOM 0 HG12 VAL A 46 -14.203 -2.499 -6.974 1.00 35.15 H new ATOM 0 HG13 VAL A 46 -14.055 -2.159 -8.715 1.00 35.15 H new ATOM 0 HG21 VAL A 46 -13.119 -5.027 -9.482 1.00 12.25 H new ATOM 0 HG22 VAL A 46 -12.301 -3.574 -10.105 1.00 12.25 H new ATOM 0 HG23 VAL A 46 -11.368 -4.820 -9.242 1.00 12.25 H new ATOM 772 N ASP A 47 -11.611 -2.536 -5.207 1.00 50.43 N ATOM 773 CA ASP A 47 -11.804 -2.018 -3.834 1.00 60.05 C ATOM 774 C ASP A 47 -10.835 -0.852 -3.523 1.00 63.13 C ATOM 775 O ASP A 47 -11.185 0.087 -2.801 1.00 34.13 O ATOM 776 CB ASP A 47 -11.587 -3.163 -2.812 1.00 71.05 C ATOM 777 CG ASP A 47 -12.568 -4.329 -3.013 1.00 44.52 C ATOM 778 OD1 ASP A 47 -12.391 -5.107 -3.974 1.00 12.14 O ATOM 779 OD2 ASP A 47 -13.514 -4.480 -2.207 1.00 2.13 O ATOM 0 H ASP A 47 -11.332 -3.517 -5.233 1.00 50.43 H new ATOM 0 HA ASP A 47 -12.822 -1.637 -3.757 1.00 60.05 H new ATOM 0 HB2 ASP A 47 -10.566 -3.533 -2.899 1.00 71.05 H new ATOM 0 HB3 ASP A 47 -11.699 -2.769 -1.802 1.00 71.05 H new ATOM 784 N PHE A 48 -9.613 -0.946 -4.078 1.00 5.12 N ATOM 785 CA PHE A 48 -8.558 0.059 -3.882 1.00 55.20 C ATOM 786 C PHE A 48 -8.831 1.346 -4.699 1.00 51.43 C ATOM 787 O PHE A 48 -8.442 2.426 -4.274 1.00 41.10 O ATOM 788 CB PHE A 48 -7.158 -0.519 -4.202 1.00 10.30 C ATOM 789 CG PHE A 48 -6.027 0.333 -3.619 1.00 1.01 C ATOM 790 CD1 PHE A 48 -5.745 0.276 -2.251 1.00 61.40 C ATOM 791 CD2 PHE A 48 -5.280 1.208 -4.411 1.00 13.32 C ATOM 792 CE1 PHE A 48 -4.762 1.068 -1.694 1.00 4.42 C ATOM 793 CE2 PHE A 48 -4.301 2.008 -3.848 1.00 14.35 C ATOM 794 CZ PHE A 48 -4.037 1.930 -2.492 1.00 41.50 C ATOM 0 H PHE A 48 -9.331 -1.723 -4.676 1.00 5.12 H new ATOM 0 HA PHE A 48 -8.571 0.334 -2.827 1.00 55.20 H new ATOM 0 HB2 PHE A 48 -7.087 -1.532 -3.806 1.00 10.30 H new ATOM 0 HB3 PHE A 48 -7.036 -0.590 -5.283 1.00 10.30 H new ATOM 0 HD1 PHE A 48 -6.305 -0.398 -1.620 1.00 61.40 H new ATOM 0 HD2 PHE A 48 -5.468 1.261 -5.473 1.00 13.32 H new ATOM 0 HE1 PHE A 48 -4.560 1.014 -0.634 1.00 4.42 H new ATOM 0 HE2 PHE A 48 -3.743 2.694 -4.468 1.00 14.35 H new ATOM 0 HZ PHE A 48 -3.263 2.544 -2.057 1.00 41.50 H new ATOM 804 N ASN A 49 -9.463 1.212 -5.889 1.00 24.23 N ATOM 805 CA ASN A 49 -9.893 2.378 -6.713 1.00 64.13 C ATOM 806 C ASN A 49 -10.882 3.260 -5.911 1.00 10.44 C ATOM 807 O ASN A 49 -10.745 4.483 -5.864 1.00 54.34 O ATOM 808 CB ASN A 49 -10.555 1.913 -8.045 1.00 51.35 C ATOM 809 CG ASN A 49 -9.593 1.180 -8.991 1.00 41.51 C ATOM 810 OD1 ASN A 49 -8.409 1.495 -9.070 1.00 15.25 O ATOM 811 ND2 ASN A 49 -10.088 0.187 -9.707 1.00 43.03 N ATOM 0 H ASN A 49 -9.689 0.308 -6.305 1.00 24.23 H new ATOM 0 HA ASN A 49 -9.007 2.962 -6.960 1.00 64.13 H new ATOM 0 HB2 ASN A 49 -11.393 1.256 -7.813 1.00 51.35 H new ATOM 0 HB3 ASN A 49 -10.964 2.782 -8.560 1.00 51.35 H new ATOM 0 HD21 ASN A 49 -9.484 -0.335 -10.341 1.00 43.03 H new ATOM 0 HD22 ASN A 49 -11.075 -0.058 -9.626 1.00 43.03 H new ATOM 818 N GLU A 50 -11.862 2.592 -5.268 1.00 72.14 N ATOM 819 CA GLU A 50 -12.808 3.220 -4.313 1.00 63.31 C ATOM 820 C GLU A 50 -12.056 3.818 -3.083 1.00 33.42 C ATOM 821 O GLU A 50 -12.293 4.968 -2.696 1.00 42.03 O ATOM 822 CB GLU A 50 -13.866 2.157 -3.871 1.00 11.44 C ATOM 823 CG GLU A 50 -14.819 2.571 -2.716 1.00 2.42 C ATOM 824 CD GLU A 50 -15.662 3.833 -2.999 1.00 52.02 C ATOM 825 OE1 GLU A 50 -16.695 3.729 -3.698 1.00 43.04 O ATOM 826 OE2 GLU A 50 -15.313 4.930 -2.493 1.00 25.41 O ATOM 0 H GLU A 50 -12.023 1.593 -5.396 1.00 72.14 H new ATOM 0 HA GLU A 50 -13.318 4.049 -4.805 1.00 63.31 H new ATOM 0 HB2 GLU A 50 -14.473 1.898 -4.738 1.00 11.44 H new ATOM 0 HB3 GLU A 50 -13.337 1.253 -3.570 1.00 11.44 H new ATOM 0 HG2 GLU A 50 -15.492 1.741 -2.503 1.00 2.42 H new ATOM 0 HG3 GLU A 50 -14.227 2.740 -1.817 1.00 2.42 H new ATOM 833 N MET A 51 -11.125 3.030 -2.505 1.00 32.31 N ATOM 834 CA MET A 51 -10.340 3.429 -1.304 1.00 73.41 C ATOM 835 C MET A 51 -9.485 4.695 -1.565 1.00 5.11 C ATOM 836 O MET A 51 -9.367 5.556 -0.699 1.00 23.22 O ATOM 837 CB MET A 51 -9.428 2.250 -0.850 1.00 52.11 C ATOM 838 CG MET A 51 -8.625 2.457 0.462 1.00 44.11 C ATOM 839 SD MET A 51 -9.561 2.072 1.975 1.00 22.54 S ATOM 840 CE MET A 51 -10.702 3.447 2.167 1.00 32.00 C ATOM 0 H MET A 51 -10.892 2.100 -2.852 1.00 32.31 H new ATOM 0 HA MET A 51 -11.048 3.670 -0.511 1.00 73.41 H new ATOM 0 HB2 MET A 51 -10.051 1.364 -0.732 1.00 52.11 H new ATOM 0 HB3 MET A 51 -8.721 2.038 -1.652 1.00 52.11 H new ATOM 0 HG2 MET A 51 -7.732 1.832 0.431 1.00 44.11 H new ATOM 0 HG3 MET A 51 -8.288 3.493 0.510 1.00 44.11 H new ATOM 0 HE1 MET A 51 -10.880 3.626 3.227 1.00 32.00 H new ATOM 0 HE2 MET A 51 -10.273 4.341 1.715 1.00 32.00 H new ATOM 0 HE3 MET A 51 -11.645 3.208 1.676 1.00 32.00 H new ATOM 850 N MET A 52 -8.905 4.776 -2.770 1.00 2.13 N ATOM 851 CA MET A 52 -8.038 5.893 -3.211 1.00 54.13 C ATOM 852 C MET A 52 -8.867 7.156 -3.583 1.00 33.50 C ATOM 853 O MET A 52 -8.390 8.285 -3.434 1.00 70.22 O ATOM 854 CB MET A 52 -7.162 5.412 -4.401 1.00 13.34 C ATOM 855 CG MET A 52 -6.110 6.416 -4.902 1.00 44.01 C ATOM 856 SD MET A 52 -5.070 5.746 -6.227 1.00 23.41 S ATOM 857 CE MET A 52 -6.282 5.290 -7.471 1.00 71.32 C ATOM 0 H MET A 52 -9.023 4.057 -3.484 1.00 2.13 H new ATOM 0 HA MET A 52 -7.390 6.187 -2.385 1.00 54.13 H new ATOM 0 HB2 MET A 52 -6.651 4.496 -4.105 1.00 13.34 H new ATOM 0 HB3 MET A 52 -7.819 5.157 -5.232 1.00 13.34 H new ATOM 0 HG2 MET A 52 -6.614 7.313 -5.261 1.00 44.01 H new ATOM 0 HG3 MET A 52 -5.477 6.718 -4.068 1.00 44.01 H new ATOM 0 HE1 MET A 52 -5.782 5.137 -8.427 1.00 71.32 H new ATOM 0 HE2 MET A 52 -6.782 4.369 -7.171 1.00 71.32 H new ATOM 0 HE3 MET A 52 -7.019 6.087 -7.570 1.00 71.32 H new ATOM 867 N SER A 53 -10.110 6.946 -4.074 1.00 30.31 N ATOM 868 CA SER A 53 -11.064 8.055 -4.377 1.00 33.11 C ATOM 869 C SER A 53 -11.463 8.828 -3.099 1.00 73.42 C ATOM 870 O SER A 53 -11.695 10.042 -3.135 1.00 41.24 O ATOM 871 CB SER A 53 -12.343 7.512 -5.062 1.00 15.12 C ATOM 872 OG SER A 53 -12.048 6.912 -6.317 1.00 1.03 O ATOM 0 H SER A 53 -10.483 6.018 -4.272 1.00 30.31 H new ATOM 0 HA SER A 53 -10.551 8.738 -5.054 1.00 33.11 H new ATOM 0 HB2 SER A 53 -12.823 6.780 -4.412 1.00 15.12 H new ATOM 0 HB3 SER A 53 -13.054 8.326 -5.205 1.00 15.12 H new ATOM 0 HG SER A 53 -11.603 6.051 -6.171 1.00 1.03 H new ATOM 878 N LYS A 54 -11.548 8.099 -1.978 1.00 63.24 N ATOM 879 CA LYS A 54 -11.906 8.670 -0.666 1.00 24.52 C ATOM 880 C LYS A 54 -10.624 9.180 0.054 1.00 42.03 C ATOM 881 O LYS A 54 -10.555 10.335 0.489 1.00 31.32 O ATOM 882 CB LYS A 54 -12.647 7.573 0.165 1.00 2.24 C ATOM 883 CG LYS A 54 -13.597 8.073 1.290 1.00 1.31 C ATOM 884 CD LYS A 54 -12.875 8.776 2.468 1.00 33.10 C ATOM 885 CE LYS A 54 -13.807 9.117 3.640 1.00 21.41 C ATOM 886 NZ LYS A 54 -14.356 7.899 4.288 1.00 23.33 N ATOM 0 H LYS A 54 -11.371 7.095 -1.952 1.00 63.24 H new ATOM 0 HA LYS A 54 -12.571 9.525 -0.784 1.00 24.52 H new ATOM 0 HB2 LYS A 54 -13.228 6.959 -0.523 1.00 2.24 H new ATOM 0 HB3 LYS A 54 -11.897 6.923 0.616 1.00 2.24 H new ATOM 0 HG2 LYS A 54 -14.321 8.764 0.858 1.00 1.31 H new ATOM 0 HG3 LYS A 54 -14.160 7.224 1.678 1.00 1.31 H new ATOM 0 HD2 LYS A 54 -12.072 8.133 2.828 1.00 33.10 H new ATOM 0 HD3 LYS A 54 -12.411 9.693 2.104 1.00 33.10 H new ATOM 0 HE2 LYS A 54 -13.261 9.705 4.378 1.00 21.41 H new ATOM 0 HE3 LYS A 54 -14.628 9.738 3.281 1.00 21.41 H new ATOM 0 HZ1 LYS A 54 -14.839 8.163 5.170 1.00 23.33 H new ATOM 0 HZ2 LYS A 54 -15.033 7.440 3.646 1.00 23.33 H new ATOM 0 HZ3 LYS A 54 -13.580 7.240 4.502 1.00 23.33 H new ATOM 900 N GLU A 55 -9.619 8.293 0.159 1.00 71.21 N ATOM 901 CA GLU A 55 -8.335 8.573 0.843 1.00 32.01 C ATOM 902 C GLU A 55 -7.254 9.026 -0.169 1.00 62.45 C ATOM 903 O GLU A 55 -6.797 8.234 -1.004 1.00 63.14 O ATOM 904 CB GLU A 55 -7.843 7.308 1.608 1.00 64.51 C ATOM 905 CG GLU A 55 -8.775 6.811 2.734 1.00 4.23 C ATOM 906 CD GLU A 55 -8.956 7.829 3.879 1.00 72.13 C ATOM 907 OE1 GLU A 55 -7.943 8.296 4.443 1.00 24.20 O ATOM 908 OE2 GLU A 55 -10.110 8.156 4.235 1.00 21.11 O ATOM 0 H GLU A 55 -9.671 7.352 -0.231 1.00 71.21 H new ATOM 0 HA GLU A 55 -8.503 9.381 1.555 1.00 32.01 H new ATOM 0 HB2 GLU A 55 -7.706 6.500 0.889 1.00 64.51 H new ATOM 0 HB3 GLU A 55 -6.864 7.522 2.037 1.00 64.51 H new ATOM 0 HG2 GLU A 55 -9.751 6.577 2.310 1.00 4.23 H new ATOM 0 HG3 GLU A 55 -8.374 5.884 3.143 1.00 4.23 H new ATOM 915 N GLN A 56 -6.847 10.305 -0.081 1.00 42.12 N ATOM 916 CA GLN A 56 -5.818 10.889 -0.965 1.00 74.41 C ATOM 917 C GLN A 56 -4.392 10.520 -0.468 1.00 74.42 C ATOM 918 O GLN A 56 -3.981 10.933 0.623 1.00 70.24 O ATOM 919 CB GLN A 56 -6.007 12.429 -1.034 1.00 44.11 C ATOM 920 CG GLN A 56 -5.003 13.174 -1.938 1.00 34.45 C ATOM 921 CD GLN A 56 -5.280 14.683 -2.024 1.00 43.03 C ATOM 922 OE1 GLN A 56 -4.773 15.469 -1.231 1.00 21.50 O ATOM 923 NE2 GLN A 56 -6.086 15.095 -2.979 1.00 33.21 N ATOM 0 H GLN A 56 -7.220 10.963 0.603 1.00 42.12 H new ATOM 0 HA GLN A 56 -5.932 10.477 -1.968 1.00 74.41 H new ATOM 0 HB2 GLN A 56 -7.016 12.640 -1.388 1.00 44.11 H new ATOM 0 HB3 GLN A 56 -5.932 12.834 -0.025 1.00 44.11 H new ATOM 0 HG2 GLN A 56 -3.994 13.016 -1.558 1.00 34.45 H new ATOM 0 HG3 GLN A 56 -5.037 12.746 -2.940 1.00 34.45 H new ATOM 0 HE21 GLN A 56 -6.495 14.422 -3.627 1.00 33.21 H new ATOM 0 HE22 GLN A 56 -6.301 16.088 -3.072 1.00 33.21 H new ATOM 932 N PHE A 57 -3.657 9.727 -1.271 1.00 32.04 N ATOM 933 CA PHE A 57 -2.270 9.289 -0.942 1.00 50.30 C ATOM 934 C PHE A 57 -1.218 10.128 -1.715 1.00 75.41 C ATOM 935 O PHE A 57 -1.560 10.909 -2.611 1.00 65.22 O ATOM 936 CB PHE A 57 -2.083 7.783 -1.277 1.00 4.23 C ATOM 937 CG PHE A 57 -3.147 6.859 -0.667 1.00 43.43 C ATOM 938 CD1 PHE A 57 -3.244 6.692 0.715 1.00 65.12 C ATOM 939 CD2 PHE A 57 -4.050 6.160 -1.478 1.00 40.11 C ATOM 940 CE1 PHE A 57 -4.202 5.855 1.262 1.00 31.02 C ATOM 941 CE2 PHE A 57 -5.004 5.326 -0.927 1.00 22.55 C ATOM 942 CZ PHE A 57 -5.082 5.175 0.441 1.00 3.33 C ATOM 0 H PHE A 57 -3.998 9.369 -2.163 1.00 32.04 H new ATOM 0 HA PHE A 57 -2.119 9.443 0.126 1.00 50.30 H new ATOM 0 HB2 PHE A 57 -2.091 7.661 -2.360 1.00 4.23 H new ATOM 0 HB3 PHE A 57 -1.101 7.465 -0.928 1.00 4.23 H new ATOM 0 HD1 PHE A 57 -2.564 7.222 1.366 1.00 65.12 H new ATOM 0 HD2 PHE A 57 -4.000 6.275 -2.551 1.00 40.11 H new ATOM 0 HE1 PHE A 57 -4.262 5.733 2.333 1.00 31.02 H new ATOM 0 HE2 PHE A 57 -5.689 4.792 -1.569 1.00 22.55 H new ATOM 0 HZ PHE A 57 -5.830 4.526 0.871 1.00 3.33 H new ATOM 952 N ASN A 58 0.067 9.965 -1.348 1.00 41.51 N ATOM 953 CA ASN A 58 1.205 10.568 -2.091 1.00 73.42 C ATOM 954 C ASN A 58 1.626 9.658 -3.268 1.00 63.54 C ATOM 955 O ASN A 58 1.351 8.459 -3.249 1.00 11.20 O ATOM 956 CB ASN A 58 2.413 10.797 -1.145 1.00 63.44 C ATOM 957 CG ASN A 58 2.126 11.769 0.004 1.00 13.43 C ATOM 958 OD1 ASN A 58 1.010 11.866 0.503 1.00 65.24 O ATOM 959 ND2 ASN A 58 3.130 12.500 0.437 1.00 30.43 N ATOM 0 H ASN A 58 0.351 9.417 -0.536 1.00 41.51 H new ATOM 0 HA ASN A 58 0.880 11.530 -2.487 1.00 73.42 H new ATOM 0 HB2 ASN A 58 2.722 9.839 -0.728 1.00 63.44 H new ATOM 0 HB3 ASN A 58 3.252 11.177 -1.728 1.00 63.44 H new ATOM 0 HD21 ASN A 58 2.987 13.161 1.200 1.00 30.43 H new ATOM 0 HD22 ASN A 58 4.051 12.405 0.010 1.00 30.43 H new ATOM 966 N GLU A 59 2.316 10.231 -4.276 1.00 11.22 N ATOM 967 CA GLU A 59 2.803 9.466 -5.456 1.00 13.23 C ATOM 968 C GLU A 59 3.879 8.417 -5.062 1.00 34.12 C ATOM 969 O GLU A 59 3.942 7.326 -5.640 1.00 1.00 O ATOM 970 CB GLU A 59 3.357 10.427 -6.547 1.00 31.52 C ATOM 971 CG GLU A 59 4.514 11.343 -6.088 1.00 70.43 C ATOM 972 CD GLU A 59 5.144 12.161 -7.228 1.00 51.43 C ATOM 973 OE1 GLU A 59 4.613 13.238 -7.576 1.00 60.01 O ATOM 974 OE2 GLU A 59 6.173 11.726 -7.789 1.00 14.01 O ATOM 0 H GLU A 59 2.552 11.223 -4.301 1.00 11.22 H new ATOM 0 HA GLU A 59 1.949 8.926 -5.865 1.00 13.23 H new ATOM 0 HB2 GLU A 59 3.700 9.832 -7.393 1.00 31.52 H new ATOM 0 HB3 GLU A 59 2.540 11.052 -6.907 1.00 31.52 H new ATOM 0 HG2 GLU A 59 4.143 12.026 -5.324 1.00 70.43 H new ATOM 0 HG3 GLU A 59 5.286 10.732 -5.621 1.00 70.43 H new ATOM 981 N ALA A 60 4.713 8.768 -4.058 1.00 23.44 N ATOM 982 CA ALA A 60 5.740 7.856 -3.495 1.00 11.13 C ATOM 983 C ALA A 60 5.095 6.707 -2.680 1.00 52.31 C ATOM 984 O ALA A 60 5.617 5.585 -2.652 1.00 1.11 O ATOM 985 CB ALA A 60 6.740 8.643 -2.633 1.00 70.24 C ATOM 0 H ALA A 60 4.696 9.687 -3.615 1.00 23.44 H new ATOM 0 HA ALA A 60 6.278 7.403 -4.328 1.00 11.13 H new ATOM 0 HB1 ALA A 60 7.487 7.960 -2.227 1.00 70.24 H new ATOM 0 HB2 ALA A 60 7.233 9.398 -3.245 1.00 70.24 H new ATOM 0 HB3 ALA A 60 6.210 9.130 -1.814 1.00 70.24 H new ATOM 991 N GLN A 61 3.958 7.012 -2.019 1.00 51.12 N ATOM 992 CA GLN A 61 3.133 5.998 -1.326 1.00 71.14 C ATOM 993 C GLN A 61 2.534 4.997 -2.339 1.00 63.32 C ATOM 994 O GLN A 61 2.735 3.792 -2.209 1.00 13.12 O ATOM 995 CB GLN A 61 1.994 6.670 -0.501 1.00 12.20 C ATOM 996 CG GLN A 61 2.466 7.461 0.739 1.00 72.11 C ATOM 997 CD GLN A 61 1.317 8.112 1.523 1.00 42.12 C ATOM 998 OE1 GLN A 61 0.195 7.613 1.549 1.00 21.01 O ATOM 999 NE2 GLN A 61 1.577 9.235 2.158 1.00 51.52 N ATOM 0 H GLN A 61 3.588 7.960 -1.950 1.00 51.12 H new ATOM 0 HA GLN A 61 3.782 5.456 -0.638 1.00 71.14 H new ATOM 0 HB2 GLN A 61 1.441 7.345 -1.155 1.00 12.20 H new ATOM 0 HB3 GLN A 61 1.296 5.898 -0.177 1.00 12.20 H new ATOM 0 HG2 GLN A 61 3.013 6.790 1.401 1.00 72.11 H new ATOM 0 HG3 GLN A 61 3.164 8.236 0.422 1.00 72.11 H new ATOM 0 HE21 GLN A 61 2.515 9.634 2.125 1.00 51.52 H new ATOM 0 HE22 GLN A 61 0.840 9.706 2.683 1.00 51.52 H new ATOM 1008 N LEU A 62 1.832 5.530 -3.361 1.00 51.22 N ATOM 1009 CA LEU A 62 1.185 4.728 -4.431 1.00 44.11 C ATOM 1010 C LEU A 62 2.194 3.830 -5.185 1.00 24.53 C ATOM 1011 O LEU A 62 1.843 2.735 -5.627 1.00 4.11 O ATOM 1012 CB LEU A 62 0.457 5.672 -5.427 1.00 64.34 C ATOM 1013 CG LEU A 62 -0.765 6.453 -4.845 1.00 34.21 C ATOM 1014 CD1 LEU A 62 -1.319 7.486 -5.854 1.00 75.12 C ATOM 1015 CD2 LEU A 62 -1.876 5.480 -4.378 1.00 55.24 C ATOM 0 H LEU A 62 1.695 6.535 -3.471 1.00 51.22 H new ATOM 0 HA LEU A 62 0.462 4.066 -3.954 1.00 44.11 H new ATOM 0 HB2 LEU A 62 1.179 6.394 -5.809 1.00 64.34 H new ATOM 0 HB3 LEU A 62 0.116 5.081 -6.277 1.00 64.34 H new ATOM 0 HG LEU A 62 -0.412 7.006 -3.975 1.00 34.21 H new ATOM 0 HD11 LEU A 62 -2.168 8.008 -5.412 1.00 75.12 H new ATOM 0 HD12 LEU A 62 -0.539 8.206 -6.102 1.00 75.12 H new ATOM 0 HD13 LEU A 62 -1.641 6.973 -6.760 1.00 75.12 H new ATOM 0 HD21 LEU A 62 -2.714 6.050 -3.977 1.00 55.24 H new ATOM 0 HD22 LEU A 62 -2.215 4.882 -5.224 1.00 55.24 H new ATOM 0 HD23 LEU A 62 -1.482 4.822 -3.604 1.00 55.24 H new ATOM 1027 N ALA A 63 3.442 4.322 -5.322 1.00 1.45 N ATOM 1028 CA ALA A 63 4.561 3.555 -5.904 1.00 62.54 C ATOM 1029 C ALA A 63 4.799 2.242 -5.130 1.00 22.31 C ATOM 1030 O ALA A 63 4.673 1.149 -5.692 1.00 53.22 O ATOM 1031 CB ALA A 63 5.835 4.422 -5.922 1.00 74.10 C ATOM 0 H ALA A 63 3.702 5.264 -5.031 1.00 1.45 H new ATOM 0 HA ALA A 63 4.303 3.287 -6.929 1.00 62.54 H new ATOM 0 HB1 ALA A 63 6.658 3.851 -6.352 1.00 74.10 H new ATOM 0 HB2 ALA A 63 5.659 5.314 -6.523 1.00 74.10 H new ATOM 0 HB3 ALA A 63 6.090 4.715 -4.904 1.00 74.10 H new ATOM 1037 N LEU A 64 5.078 2.376 -3.817 1.00 63.03 N ATOM 1038 CA LEU A 64 5.388 1.229 -2.938 1.00 44.30 C ATOM 1039 C LEU A 64 4.169 0.294 -2.757 1.00 14.34 C ATOM 1040 O LEU A 64 4.328 -0.920 -2.739 1.00 64.11 O ATOM 1041 CB LEU A 64 5.905 1.722 -1.562 1.00 71.52 C ATOM 1042 CG LEU A 64 6.372 0.603 -0.571 1.00 4.41 C ATOM 1043 CD1 LEU A 64 7.527 -0.246 -1.158 1.00 11.22 C ATOM 1044 CD2 LEU A 64 6.760 1.194 0.797 1.00 50.12 C ATOM 0 H LEU A 64 5.095 3.277 -3.338 1.00 63.03 H new ATOM 0 HA LEU A 64 6.174 0.650 -3.423 1.00 44.30 H new ATOM 0 HB2 LEU A 64 6.739 2.403 -1.731 1.00 71.52 H new ATOM 0 HB3 LEU A 64 5.114 2.299 -1.083 1.00 71.52 H new ATOM 0 HG LEU A 64 5.523 -0.065 -0.421 1.00 4.41 H new ATOM 0 HD11 LEU A 64 7.820 -1.010 -0.438 1.00 11.22 H new ATOM 0 HD12 LEU A 64 7.195 -0.724 -2.079 1.00 11.22 H new ATOM 0 HD13 LEU A 64 8.380 0.398 -1.371 1.00 11.22 H new ATOM 0 HD21 LEU A 64 7.080 0.392 1.462 1.00 50.12 H new ATOM 0 HD22 LEU A 64 7.576 1.905 0.668 1.00 50.12 H new ATOM 0 HD23 LEU A 64 5.900 1.704 1.230 1.00 50.12 H new ATOM 1056 N ILE A 65 2.960 0.881 -2.634 1.00 41.31 N ATOM 1057 CA ILE A 65 1.682 0.128 -2.525 1.00 15.24 C ATOM 1058 C ILE A 65 1.498 -0.864 -3.707 1.00 54.23 C ATOM 1059 O ILE A 65 1.161 -2.035 -3.504 1.00 15.24 O ATOM 1060 CB ILE A 65 0.451 1.127 -2.433 1.00 3.40 C ATOM 1061 CG1 ILE A 65 0.448 1.866 -1.048 1.00 4.31 C ATOM 1062 CG2 ILE A 65 -0.906 0.421 -2.690 1.00 13.33 C ATOM 1063 CD1 ILE A 65 -0.620 2.943 -0.876 1.00 32.02 C ATOM 0 H ILE A 65 2.837 1.893 -2.607 1.00 41.31 H new ATOM 0 HA ILE A 65 1.723 -0.460 -1.608 1.00 15.24 H new ATOM 0 HB ILE A 65 0.573 1.865 -3.226 1.00 3.40 H new ATOM 0 HG12 ILE A 65 0.319 1.123 -0.261 1.00 4.31 H new ATOM 0 HG13 ILE A 65 1.426 2.323 -0.898 1.00 4.31 H new ATOM 0 HG21 ILE A 65 -1.714 1.148 -2.615 1.00 13.33 H new ATOM 0 HG22 ILE A 65 -0.904 -0.019 -3.687 1.00 13.33 H new ATOM 0 HG23 ILE A 65 -1.054 -0.364 -1.948 1.00 13.33 H new ATOM 0 HD11 ILE A 65 -0.532 3.388 0.115 1.00 32.02 H new ATOM 0 HD12 ILE A 65 -0.484 3.715 -1.634 1.00 32.02 H new ATOM 0 HD13 ILE A 65 -1.608 2.496 -0.986 1.00 32.02 H new ATOM 1075 N ARG A 66 1.746 -0.383 -4.937 1.00 51.33 N ATOM 1076 CA ARG A 66 1.668 -1.229 -6.149 1.00 52.11 C ATOM 1077 C ARG A 66 2.716 -2.369 -6.115 1.00 51.21 C ATOM 1078 O ARG A 66 2.392 -3.511 -6.451 1.00 22.43 O ATOM 1079 CB ARG A 66 1.830 -0.361 -7.424 1.00 74.24 C ATOM 1080 CG ARG A 66 0.651 0.614 -7.677 1.00 60.03 C ATOM 1081 CD ARG A 66 0.887 1.541 -8.884 1.00 32.41 C ATOM 1082 NE ARG A 66 2.046 2.431 -8.677 1.00 3.13 N ATOM 1083 CZ ARG A 66 2.709 3.054 -9.631 1.00 62.25 C ATOM 1084 NH1 ARG A 66 2.423 2.878 -10.885 1.00 71.15 N ATOM 1085 NH2 ARG A 66 3.677 3.847 -9.321 1.00 12.34 N ATOM 0 H ARG A 66 2.002 0.587 -5.122 1.00 51.33 H new ATOM 0 HA ARG A 66 0.683 -1.696 -6.171 1.00 52.11 H new ATOM 0 HB2 ARG A 66 2.753 0.214 -7.345 1.00 74.24 H new ATOM 0 HB3 ARG A 66 1.936 -1.018 -8.287 1.00 74.24 H new ATOM 0 HG2 ARG A 66 -0.261 0.039 -7.840 1.00 60.03 H new ATOM 0 HG3 ARG A 66 0.490 1.220 -6.786 1.00 60.03 H new ATOM 0 HD2 ARG A 66 1.047 0.939 -9.778 1.00 32.41 H new ATOM 0 HD3 ARG A 66 -0.005 2.142 -9.060 1.00 32.41 H new ATOM 0 HE ARG A 66 2.360 2.576 -7.717 1.00 3.13 H new ATOM 0 HH11 ARG A 66 1.669 2.245 -11.152 1.00 71.15 H new ATOM 0 HH12 ARG A 66 2.952 3.373 -11.603 1.00 71.15 H new ATOM 0 HH21 ARG A 66 3.926 3.989 -8.342 1.00 12.34 H new ATOM 0 HH22 ARG A 66 4.194 4.332 -10.055 1.00 12.34 H new ATOM 1099 N ASP A 67 3.954 -2.053 -5.668 1.00 73.24 N ATOM 1100 CA ASP A 67 5.053 -3.049 -5.532 1.00 25.33 C ATOM 1101 C ASP A 67 4.703 -4.161 -4.513 1.00 12.41 C ATOM 1102 O ASP A 67 4.916 -5.349 -4.776 1.00 34.55 O ATOM 1103 CB ASP A 67 6.374 -2.350 -5.103 1.00 60.53 C ATOM 1104 CG ASP A 67 6.814 -1.230 -6.057 1.00 63.40 C ATOM 1105 OD1 ASP A 67 6.713 -1.409 -7.293 1.00 2.02 O ATOM 1106 OD2 ASP A 67 7.286 -0.176 -5.581 1.00 32.35 O ATOM 0 H ASP A 67 4.222 -1.108 -5.392 1.00 73.24 H new ATOM 0 HA ASP A 67 5.186 -3.513 -6.509 1.00 25.33 H new ATOM 0 HB2 ASP A 67 6.248 -1.935 -4.103 1.00 60.53 H new ATOM 0 HB3 ASP A 67 7.167 -3.096 -5.041 1.00 60.53 H new ATOM 1111 N ILE A 68 4.148 -3.744 -3.358 1.00 22.24 N ATOM 1112 CA ILE A 68 3.750 -4.644 -2.253 1.00 12.43 C ATOM 1113 C ILE A 68 2.659 -5.644 -2.708 1.00 32.14 C ATOM 1114 O ILE A 68 2.713 -6.826 -2.362 1.00 60.41 O ATOM 1115 CB ILE A 68 3.250 -3.811 -0.995 1.00 0.24 C ATOM 1116 CG1 ILE A 68 4.430 -3.010 -0.348 1.00 13.15 C ATOM 1117 CG2 ILE A 68 2.545 -4.703 0.061 1.00 44.44 C ATOM 1118 CD1 ILE A 68 4.036 -2.119 0.829 1.00 4.14 C ATOM 0 H ILE A 68 3.960 -2.761 -3.162 1.00 22.24 H new ATOM 0 HA ILE A 68 4.631 -5.215 -1.960 1.00 12.43 H new ATOM 0 HB ILE A 68 2.508 -3.101 -1.360 1.00 0.24 H new ATOM 0 HG12 ILE A 68 5.188 -3.717 -0.011 1.00 13.15 H new ATOM 0 HG13 ILE A 68 4.892 -2.389 -1.116 1.00 13.15 H new ATOM 0 HG21 ILE A 68 2.222 -4.087 0.900 1.00 44.44 H new ATOM 0 HG22 ILE A 68 1.678 -5.185 -0.390 1.00 44.44 H new ATOM 0 HG23 ILE A 68 3.239 -5.465 0.416 1.00 44.44 H new ATOM 0 HD11 ILE A 68 4.920 -1.606 1.209 1.00 4.14 H new ATOM 0 HD12 ILE A 68 3.303 -1.383 0.499 1.00 4.14 H new ATOM 0 HD13 ILE A 68 3.604 -2.731 1.620 1.00 4.14 H new ATOM 1130 N ARG A 69 1.673 -5.159 -3.488 1.00 53.12 N ATOM 1131 CA ARG A 69 0.566 -6.008 -3.994 1.00 3.04 C ATOM 1132 C ARG A 69 1.027 -6.969 -5.135 1.00 52.21 C ATOM 1133 O ARG A 69 0.492 -8.080 -5.269 1.00 61.02 O ATOM 1134 CB ARG A 69 -0.634 -5.121 -4.422 1.00 52.54 C ATOM 1135 CG ARG A 69 -1.887 -5.907 -4.894 1.00 73.22 C ATOM 1136 CD ARG A 69 -3.192 -5.094 -4.801 1.00 1.41 C ATOM 1137 NE ARG A 69 -3.129 -3.798 -5.508 1.00 63.41 N ATOM 1138 CZ ARG A 69 -3.769 -2.703 -5.136 1.00 71.54 C ATOM 1139 NH1 ARG A 69 -4.489 -2.681 -4.054 1.00 41.32 N ATOM 1140 NH2 ARG A 69 -3.678 -1.628 -5.857 1.00 65.23 N ATOM 0 H ARG A 69 1.617 -4.184 -3.784 1.00 53.12 H new ATOM 0 HA ARG A 69 0.238 -6.654 -3.180 1.00 3.04 H new ATOM 0 HB2 ARG A 69 -0.916 -4.485 -3.583 1.00 52.54 H new ATOM 0 HB3 ARG A 69 -0.311 -4.461 -5.227 1.00 52.54 H new ATOM 0 HG2 ARG A 69 -1.739 -6.225 -5.926 1.00 73.22 H new ATOM 0 HG3 ARG A 69 -1.987 -6.811 -4.293 1.00 73.22 H new ATOM 0 HD2 ARG A 69 -4.009 -5.685 -5.214 1.00 1.41 H new ATOM 0 HD3 ARG A 69 -3.426 -4.916 -3.751 1.00 1.41 H new ATOM 0 HE ARG A 69 -2.549 -3.744 -6.345 1.00 63.41 H new ATOM 0 HH11 ARG A 69 -4.567 -3.518 -3.476 1.00 41.32 H new ATOM 0 HH12 ARG A 69 -4.976 -1.827 -3.783 1.00 41.32 H new ATOM 0 HH21 ARG A 69 -3.114 -1.630 -6.707 1.00 65.23 H new ATOM 0 HH22 ARG A 69 -4.170 -0.781 -5.574 1.00 65.23 H new ATOM 1154 N ARG A 70 2.029 -6.546 -5.945 1.00 33.54 N ATOM 1155 CA ARG A 70 2.688 -7.446 -6.942 1.00 40.25 C ATOM 1156 C ARG A 70 3.429 -8.602 -6.216 1.00 23.14 C ATOM 1157 O ARG A 70 3.319 -9.771 -6.600 1.00 41.04 O ATOM 1158 CB ARG A 70 3.693 -6.662 -7.839 1.00 24.12 C ATOM 1159 CG ARG A 70 3.070 -5.559 -8.726 1.00 43.01 C ATOM 1160 CD ARG A 70 4.103 -4.876 -9.654 1.00 25.21 C ATOM 1161 NE ARG A 70 5.244 -4.274 -8.920 1.00 12.31 N ATOM 1162 CZ ARG A 70 6.488 -4.731 -8.919 1.00 34.55 C ATOM 1163 NH1 ARG A 70 6.798 -5.845 -9.509 1.00 43.44 N ATOM 1164 NH2 ARG A 70 7.413 -4.070 -8.311 1.00 31.21 N ATOM 0 H ARG A 70 2.401 -5.596 -5.933 1.00 33.54 H new ATOM 0 HA ARG A 70 1.908 -7.859 -7.581 1.00 40.25 H new ATOM 0 HB2 ARG A 70 4.447 -6.206 -7.197 1.00 24.12 H new ATOM 0 HB3 ARG A 70 4.210 -7.373 -8.483 1.00 24.12 H new ATOM 0 HG2 ARG A 70 2.276 -5.994 -9.333 1.00 43.01 H new ATOM 0 HG3 ARG A 70 2.608 -4.805 -8.088 1.00 43.01 H new ATOM 0 HD2 ARG A 70 4.484 -5.610 -10.365 1.00 25.21 H new ATOM 0 HD3 ARG A 70 3.603 -4.100 -10.234 1.00 25.21 H new ATOM 0 HE ARG A 70 5.054 -3.437 -8.369 1.00 12.31 H new ATOM 0 HH11 ARG A 70 6.078 -6.387 -9.986 1.00 43.44 H new ATOM 0 HH12 ARG A 70 7.762 -6.178 -9.496 1.00 43.44 H new ATOM 0 HH21 ARG A 70 7.186 -3.198 -7.833 1.00 31.21 H new ATOM 0 HH22 ARG A 70 8.371 -4.419 -8.308 1.00 31.21 H new ATOM 1178 N ARG A 71 4.168 -8.229 -5.152 1.00 31.05 N ATOM 1179 CA ARG A 71 4.872 -9.171 -4.245 1.00 20.34 C ATOM 1180 C ARG A 71 3.873 -10.056 -3.451 1.00 4.03 C ATOM 1181 O ARG A 71 4.177 -11.209 -3.123 1.00 34.31 O ATOM 1182 CB ARG A 71 5.769 -8.353 -3.263 1.00 3.23 C ATOM 1183 CG ARG A 71 6.447 -9.175 -2.137 1.00 3.13 C ATOM 1184 CD ARG A 71 7.300 -8.311 -1.183 1.00 3.33 C ATOM 1185 NE ARG A 71 8.402 -7.633 -1.890 1.00 3.44 N ATOM 1186 CZ ARG A 71 9.684 -7.919 -1.778 1.00 55.14 C ATOM 1187 NH1 ARG A 71 10.106 -8.836 -0.964 1.00 0.32 N ATOM 1188 NH2 ARG A 71 10.542 -7.274 -2.490 1.00 12.35 N ATOM 0 H ARG A 71 4.297 -7.252 -4.891 1.00 31.05 H new ATOM 0 HA ARG A 71 5.489 -9.839 -4.846 1.00 20.34 H new ATOM 0 HB2 ARG A 71 6.545 -7.851 -3.840 1.00 3.23 H new ATOM 0 HB3 ARG A 71 5.159 -7.575 -2.804 1.00 3.23 H new ATOM 0 HG2 ARG A 71 5.680 -9.692 -1.561 1.00 3.13 H new ATOM 0 HG3 ARG A 71 7.079 -9.942 -2.586 1.00 3.13 H new ATOM 0 HD2 ARG A 71 6.665 -7.567 -0.702 1.00 3.33 H new ATOM 0 HD3 ARG A 71 7.709 -8.940 -0.392 1.00 3.33 H new ATOM 0 HE ARG A 71 8.150 -6.874 -2.523 1.00 3.44 H new ATOM 0 HH11 ARG A 71 9.440 -9.355 -0.392 1.00 0.32 H new ATOM 0 HH12 ARG A 71 11.103 -9.038 -0.896 1.00 0.32 H new ATOM 0 HH21 ARG A 71 10.228 -6.548 -3.134 1.00 12.35 H new ATOM 0 HH22 ARG A 71 11.536 -7.489 -2.410 1.00 12.35 H new ATOM 1202 N GLY A 72 2.692 -9.483 -3.160 1.00 73.12 N ATOM 1203 CA GLY A 72 1.660 -10.129 -2.344 1.00 44.15 C ATOM 1204 C GLY A 72 1.177 -11.469 -2.896 1.00 11.45 C ATOM 1205 O GLY A 72 1.195 -12.485 -2.188 1.00 34.31 O ATOM 0 H GLY A 72 2.429 -8.554 -3.488 1.00 73.12 H new ATOM 0 HA2 GLY A 72 2.050 -10.282 -1.338 1.00 44.15 H new ATOM 0 HA3 GLY A 72 0.807 -9.456 -2.256 1.00 44.15 H new ATOM 1209 N LYS A 73 0.736 -11.468 -4.164 1.00 73.33 N ATOM 1210 CA LYS A 73 0.389 -12.708 -4.899 1.00 61.44 C ATOM 1211 C LYS A 73 0.933 -12.630 -6.346 1.00 2.54 C ATOM 1212 O LYS A 73 2.019 -13.143 -6.639 1.00 74.42 O ATOM 1213 CB LYS A 73 -1.156 -12.975 -4.907 1.00 55.01 C ATOM 1214 CG LYS A 73 -1.828 -13.102 -3.513 1.00 34.40 C ATOM 1215 CD LYS A 73 -3.296 -13.590 -3.592 1.00 14.24 C ATOM 1216 CE LYS A 73 -3.410 -15.021 -4.151 1.00 3.03 C ATOM 1217 NZ LYS A 73 -4.821 -15.452 -4.321 1.00 62.20 N ATOM 0 H LYS A 73 0.608 -10.617 -4.711 1.00 73.33 H new ATOM 0 HA LYS A 73 0.856 -13.545 -4.380 1.00 61.44 H new ATOM 0 HB2 LYS A 73 -1.642 -12.166 -5.451 1.00 55.01 H new ATOM 0 HB3 LYS A 73 -1.344 -13.892 -5.465 1.00 55.01 H new ATOM 0 HG2 LYS A 73 -1.253 -13.796 -2.900 1.00 34.40 H new ATOM 0 HG3 LYS A 73 -1.799 -12.134 -3.012 1.00 34.40 H new ATOM 0 HD2 LYS A 73 -3.742 -13.555 -2.598 1.00 14.24 H new ATOM 0 HD3 LYS A 73 -3.869 -12.910 -4.223 1.00 14.24 H new ATOM 0 HE2 LYS A 73 -2.898 -15.075 -5.112 1.00 3.03 H new ATOM 0 HE3 LYS A 73 -2.900 -15.712 -3.480 1.00 3.03 H new ATOM 0 HZ1 LYS A 73 -4.845 -16.420 -4.699 1.00 62.20 H new ATOM 0 HZ2 LYS A 73 -5.305 -15.428 -3.401 1.00 62.20 H new ATOM 0 HZ3 LYS A 73 -5.303 -14.810 -4.982 1.00 62.20 H new ATOM 1231 N ASN A 74 0.171 -11.942 -7.228 1.00 70.12 N ATOM 1232 CA ASN A 74 0.480 -11.798 -8.665 1.00 5.43 C ATOM 1233 C ASN A 74 -0.559 -10.860 -9.322 1.00 15.44 C ATOM 1234 O ASN A 74 -1.766 -11.019 -9.102 1.00 43.24 O ATOM 1235 CB ASN A 74 0.477 -13.181 -9.380 1.00 12.45 C ATOM 1236 CG ASN A 74 0.859 -13.103 -10.864 1.00 42.40 C ATOM 1237 OD1 ASN A 74 2.029 -13.186 -11.224 1.00 2.34 O ATOM 1238 ND2 ASN A 74 -0.122 -12.943 -11.734 1.00 62.13 N ATOM 0 H ASN A 74 -0.688 -11.465 -6.954 1.00 70.12 H new ATOM 0 HA ASN A 74 1.477 -11.370 -8.765 1.00 5.43 H new ATOM 0 HB2 ASN A 74 1.172 -13.847 -8.869 1.00 12.45 H new ATOM 0 HB3 ASN A 74 -0.514 -13.625 -9.291 1.00 12.45 H new ATOM 0 HD21 ASN A 74 0.085 -12.886 -12.731 1.00 62.13 H new ATOM 0 HD22 ASN A 74 -1.086 -12.877 -11.409 1.00 62.13 H new ATOM 1245 N LYS A 75 -0.091 -9.888 -10.129 1.00 63.20 N ATOM 1246 CA LYS A 75 -0.982 -9.001 -10.915 1.00 52.34 C ATOM 1247 C LYS A 75 -0.943 -9.385 -12.412 1.00 53.24 C ATOM 1248 O LYS A 75 0.075 -9.194 -13.086 1.00 11.42 O ATOM 1249 CB LYS A 75 -0.610 -7.504 -10.707 1.00 2.54 C ATOM 1250 CG LYS A 75 -0.897 -6.970 -9.283 1.00 30.04 C ATOM 1251 CD LYS A 75 -0.755 -5.427 -9.138 1.00 15.44 C ATOM 1252 CE LYS A 75 -1.843 -4.609 -9.887 1.00 34.44 C ATOM 1253 NZ LYS A 75 -1.698 -4.638 -11.378 1.00 54.23 N ATOM 0 H LYS A 75 0.902 -9.694 -10.256 1.00 63.20 H new ATOM 0 HA LYS A 75 -2.002 -9.137 -10.556 1.00 52.34 H new ATOM 0 HB2 LYS A 75 0.449 -7.371 -10.926 1.00 2.54 H new ATOM 0 HB3 LYS A 75 -1.163 -6.901 -11.427 1.00 2.54 H new ATOM 0 HG2 LYS A 75 -1.908 -7.259 -8.996 1.00 30.04 H new ATOM 0 HG3 LYS A 75 -0.216 -7.453 -8.582 1.00 30.04 H new ATOM 0 HD2 LYS A 75 -0.788 -5.169 -8.079 1.00 15.44 H new ATOM 0 HD3 LYS A 75 0.226 -5.128 -9.508 1.00 15.44 H new ATOM 0 HE2 LYS A 75 -2.826 -4.997 -9.619 1.00 34.44 H new ATOM 0 HE3 LYS A 75 -1.805 -3.574 -9.547 1.00 34.44 H new ATOM 0 HZ1 LYS A 75 -1.854 -3.684 -11.761 1.00 54.23 H new ATOM 0 HZ2 LYS A 75 -0.741 -4.959 -11.628 1.00 54.23 H new ATOM 0 HZ3 LYS A 75 -2.399 -5.292 -11.782 1.00 54.23 H new ATOM 1267 N VAL A 76 -2.062 -9.945 -12.906 1.00 13.10 N ATOM 1268 CA VAL A 76 -2.218 -10.352 -14.322 1.00 53.13 C ATOM 1269 C VAL A 76 -2.491 -9.114 -15.221 1.00 45.11 C ATOM 1270 O VAL A 76 -1.747 -8.833 -16.167 1.00 23.34 O ATOM 1271 CB VAL A 76 -3.392 -11.399 -14.481 1.00 1.21 C ATOM 1272 CG1 VAL A 76 -3.526 -11.911 -15.939 1.00 34.24 C ATOM 1273 CG2 VAL A 76 -3.224 -12.579 -13.490 1.00 42.12 C ATOM 0 H VAL A 76 -2.888 -10.130 -12.336 1.00 13.10 H new ATOM 0 HA VAL A 76 -1.286 -10.821 -14.639 1.00 53.13 H new ATOM 0 HB VAL A 76 -4.319 -10.879 -14.238 1.00 1.21 H new ATOM 0 HG11 VAL A 76 -4.345 -12.628 -15.999 1.00 34.24 H new ATOM 0 HG12 VAL A 76 -3.730 -11.071 -16.602 1.00 34.24 H new ATOM 0 HG13 VAL A 76 -2.597 -12.395 -16.241 1.00 34.24 H new ATOM 0 HG21 VAL A 76 -4.045 -13.284 -13.621 1.00 42.12 H new ATOM 0 HG22 VAL A 76 -2.278 -13.084 -13.683 1.00 42.12 H new ATOM 0 HG23 VAL A 76 -3.231 -12.200 -12.468 1.00 42.12 H new ATOM 1283 N ALA A 77 -3.558 -8.365 -14.880 1.00 72.53 N ATOM 1284 CA ALA A 77 -4.002 -7.169 -15.638 1.00 41.14 C ATOM 1285 C ALA A 77 -4.450 -6.027 -14.688 1.00 34.03 C ATOM 1286 O ALA A 77 -4.536 -6.204 -13.463 1.00 75.41 O ATOM 1287 CB ALA A 77 -5.130 -7.554 -16.615 1.00 71.13 C ATOM 0 H ALA A 77 -4.141 -8.570 -14.069 1.00 72.53 H new ATOM 0 HA ALA A 77 -3.155 -6.794 -16.212 1.00 41.14 H new ATOM 0 HB1 ALA A 77 -5.450 -6.671 -17.167 1.00 71.13 H new ATOM 0 HB2 ALA A 77 -4.765 -8.306 -17.314 1.00 71.13 H new ATOM 0 HB3 ALA A 77 -5.974 -7.958 -16.056 1.00 71.13 H new ATOM 1293 N ALA A 78 -4.722 -4.846 -15.273 1.00 13.21 N ATOM 1294 CA ALA A 78 -5.168 -3.640 -14.530 1.00 31.33 C ATOM 1295 C ALA A 78 -6.715 -3.530 -14.495 1.00 61.24 C ATOM 1296 O ALA A 78 -7.402 -4.028 -15.395 1.00 34.21 O ATOM 1297 CB ALA A 78 -4.556 -2.382 -15.173 1.00 52.33 C ATOM 0 H ALA A 78 -4.640 -4.695 -16.278 1.00 13.21 H new ATOM 0 HA ALA A 78 -4.823 -3.727 -13.500 1.00 31.33 H new ATOM 0 HB1 ALA A 78 -4.884 -1.498 -14.627 1.00 52.33 H new ATOM 0 HB2 ALA A 78 -3.469 -2.448 -15.138 1.00 52.33 H new ATOM 0 HB3 ALA A 78 -4.881 -2.309 -16.211 1.00 52.33 H new ATOM 1303 N GLN A 79 -7.249 -2.875 -13.438 1.00 14.23 N ATOM 1304 CA GLN A 79 -8.706 -2.602 -13.285 1.00 5.22 C ATOM 1305 C GLN A 79 -8.927 -1.123 -12.881 1.00 51.23 C ATOM 1306 O GLN A 79 -8.249 -0.611 -11.990 1.00 60.11 O ATOM 1307 CB GLN A 79 -9.350 -3.542 -12.213 1.00 21.41 C ATOM 1308 CG GLN A 79 -9.132 -5.052 -12.451 1.00 64.12 C ATOM 1309 CD GLN A 79 -9.769 -5.940 -11.374 1.00 71.51 C ATOM 1310 OE1 GLN A 79 -9.158 -6.235 -10.349 1.00 42.51 O ATOM 1311 NE2 GLN A 79 -10.991 -6.387 -11.605 1.00 14.43 N ATOM 0 H GLN A 79 -6.686 -2.519 -12.665 1.00 14.23 H new ATOM 0 HA GLN A 79 -9.187 -2.796 -14.244 1.00 5.22 H new ATOM 0 HB2 GLN A 79 -8.946 -3.282 -11.235 1.00 21.41 H new ATOM 0 HB3 GLN A 79 -10.422 -3.346 -12.178 1.00 21.41 H new ATOM 0 HG2 GLN A 79 -9.544 -5.322 -13.423 1.00 64.12 H new ATOM 0 HG3 GLN A 79 -8.062 -5.255 -12.491 1.00 64.12 H new ATOM 0 HE21 GLN A 79 -11.475 -6.127 -12.464 1.00 14.43 H new ATOM 0 HE22 GLN A 79 -11.450 -6.992 -10.924 1.00 14.43 H new ATOM 1320 N ASN A 80 -9.878 -0.438 -13.544 1.00 35.23 N ATOM 1321 CA ASN A 80 -10.266 0.963 -13.202 1.00 12.02 C ATOM 1322 C ASN A 80 -11.764 1.041 -12.814 1.00 35.12 C ATOM 1323 O ASN A 80 -12.391 2.104 -12.916 1.00 21.34 O ATOM 1324 CB ASN A 80 -9.946 1.917 -14.389 1.00 71.33 C ATOM 1325 CG ASN A 80 -8.449 2.063 -14.675 1.00 20.12 C ATOM 1326 OD1 ASN A 80 -7.606 1.914 -13.792 1.00 53.45 O ATOM 1327 ND2 ASN A 80 -8.110 2.397 -15.901 1.00 2.32 N ATOM 0 H ASN A 80 -10.402 -0.828 -14.328 1.00 35.23 H new ATOM 0 HA ASN A 80 -9.682 1.283 -12.339 1.00 12.02 H new ATOM 0 HB2 ASN A 80 -10.444 1.547 -15.285 1.00 71.33 H new ATOM 0 HB3 ASN A 80 -10.364 2.901 -14.176 1.00 71.33 H new ATOM 0 HD21 ASN A 80 -7.128 2.539 -16.138 1.00 2.32 H new ATOM 0 HD22 ASN A 80 -8.829 2.514 -16.615 1.00 2.32 H new ATOM 1334 N CYS A 81 -12.303 -0.094 -12.321 1.00 23.21 N ATOM 1335 CA CYS A 81 -13.729 -0.227 -11.932 1.00 53.15 C ATOM 1336 C CYS A 81 -14.124 0.715 -10.771 1.00 62.42 C ATOM 1337 O CYS A 81 -13.454 0.757 -9.732 1.00 51.34 O ATOM 1338 CB CYS A 81 -14.046 -1.682 -11.539 1.00 3.04 C ATOM 1339 SG CYS A 81 -15.765 -1.954 -11.046 1.00 5.21 S ATOM 0 H CYS A 81 -11.763 -0.948 -12.180 1.00 23.21 H new ATOM 0 HA CYS A 81 -14.315 0.062 -12.805 1.00 53.15 H new ATOM 0 HB2 CYS A 81 -13.813 -2.334 -12.381 1.00 3.04 H new ATOM 0 HB3 CYS A 81 -13.392 -1.976 -10.718 1.00 3.04 H new ATOM 0 HG CYS A 81 -15.935 -3.205 -10.736 1.00 5.21 H new ATOM 1345 N ARG A 82 -15.226 1.461 -10.979 1.00 52.11 N ATOM 1346 CA ARG A 82 -15.770 2.438 -10.008 1.00 70.10 C ATOM 1347 C ARG A 82 -17.229 2.805 -10.383 1.00 13.43 C ATOM 1348 O ARG A 82 -17.652 2.608 -11.528 1.00 61.13 O ATOM 1349 CB ARG A 82 -14.864 3.702 -9.951 1.00 33.31 C ATOM 1350 CG ARG A 82 -14.767 4.489 -11.281 1.00 41.11 C ATOM 1351 CD ARG A 82 -13.564 5.447 -11.321 1.00 64.42 C ATOM 1352 NE ARG A 82 -12.287 4.703 -11.313 1.00 51.01 N ATOM 1353 CZ ARG A 82 -11.112 5.195 -10.987 1.00 71.23 C ATOM 1354 NH1 ARG A 82 -10.971 6.434 -10.622 1.00 63.52 N ATOM 1355 NH2 ARG A 82 -10.068 4.432 -11.040 1.00 21.42 N ATOM 0 H ARG A 82 -15.773 1.403 -11.838 1.00 52.11 H new ATOM 0 HA ARG A 82 -15.780 1.989 -9.015 1.00 70.10 H new ATOM 0 HB2 ARG A 82 -15.243 4.369 -9.177 1.00 33.31 H new ATOM 0 HB3 ARG A 82 -13.861 3.400 -9.649 1.00 33.31 H new ATOM 0 HG2 ARG A 82 -14.693 3.785 -12.110 1.00 41.11 H new ATOM 0 HG3 ARG A 82 -15.684 5.059 -11.428 1.00 41.11 H new ATOM 0 HD2 ARG A 82 -13.620 6.068 -12.215 1.00 64.42 H new ATOM 0 HD3 ARG A 82 -13.602 6.118 -10.463 1.00 64.42 H new ATOM 0 HE ARG A 82 -12.320 3.720 -11.585 1.00 51.01 H new ATOM 0 HH11 ARG A 82 -11.783 7.050 -10.583 1.00 63.52 H new ATOM 0 HH12 ARG A 82 -10.048 6.791 -10.374 1.00 63.52 H new ATOM 0 HH21 ARG A 82 -10.162 3.459 -11.332 1.00 21.42 H new ATOM 0 HH22 ARG A 82 -9.152 4.803 -10.789 1.00 21.42 H new ATOM 1369 N LYS A 83 -17.997 3.331 -9.411 1.00 71.23 N ATOM 1370 CA LYS A 83 -19.438 3.664 -9.608 1.00 63.34 C ATOM 1371 C LYS A 83 -19.660 5.152 -9.983 1.00 63.13 C ATOM 1372 O LYS A 83 -18.735 5.973 -9.912 1.00 64.10 O ATOM 1373 CB LYS A 83 -20.235 3.320 -8.321 1.00 33.20 C ATOM 1374 CG LYS A 83 -20.171 1.829 -7.920 1.00 5.01 C ATOM 1375 CD LYS A 83 -21.005 1.500 -6.659 1.00 51.43 C ATOM 1376 CE LYS A 83 -22.511 1.798 -6.824 1.00 31.30 C ATOM 1377 NZ LYS A 83 -23.124 1.041 -7.956 1.00 74.32 N ATOM 0 H LYS A 83 -17.651 3.539 -8.474 1.00 71.23 H new ATOM 0 HA LYS A 83 -19.798 3.065 -10.445 1.00 63.34 H new ATOM 0 HB2 LYS A 83 -19.853 3.924 -7.498 1.00 33.20 H new ATOM 0 HB3 LYS A 83 -21.278 3.602 -8.466 1.00 33.20 H new ATOM 0 HG2 LYS A 83 -20.526 1.220 -8.752 1.00 5.01 H new ATOM 0 HG3 LYS A 83 -19.132 1.551 -7.743 1.00 5.01 H new ATOM 0 HD2 LYS A 83 -20.876 0.446 -6.412 1.00 51.43 H new ATOM 0 HD3 LYS A 83 -20.619 2.075 -5.817 1.00 51.43 H new ATOM 0 HE2 LYS A 83 -23.031 1.547 -5.900 1.00 31.30 H new ATOM 0 HE3 LYS A 83 -22.651 2.866 -6.988 1.00 31.30 H new ATOM 0 HZ1 LYS A 83 -24.147 1.224 -7.982 1.00 74.32 H new ATOM 0 HZ2 LYS A 83 -22.695 1.348 -8.852 1.00 74.32 H new ATOM 0 HZ3 LYS A 83 -22.957 0.023 -7.823 1.00 74.32 H new ATOM 1391 N ARG A 84 -20.907 5.474 -10.394 1.00 74.42 N ATOM 1392 CA ARG A 84 -21.366 6.865 -10.604 1.00 54.34 C ATOM 1393 C ARG A 84 -21.469 7.549 -9.213 1.00 4.35 C ATOM 1394 O ARG A 84 -22.519 7.514 -8.561 1.00 44.03 O ATOM 1395 CB ARG A 84 -22.744 6.846 -11.360 1.00 3.31 C ATOM 1396 CG ARG A 84 -23.120 8.112 -12.184 1.00 35.00 C ATOM 1397 CD ARG A 84 -23.355 9.387 -11.348 1.00 70.34 C ATOM 1398 NE ARG A 84 -24.334 9.188 -10.258 1.00 31.34 N ATOM 1399 CZ ARG A 84 -25.110 10.121 -9.745 1.00 54.45 C ATOM 1400 NH1 ARG A 84 -25.133 11.323 -10.227 1.00 5.44 N ATOM 1401 NH2 ARG A 84 -25.869 9.833 -8.744 1.00 10.45 N ATOM 0 H ARG A 84 -21.624 4.776 -10.590 1.00 74.42 H new ATOM 0 HA ARG A 84 -20.666 7.431 -11.219 1.00 54.34 H new ATOM 0 HB2 ARG A 84 -22.747 5.990 -12.035 1.00 3.31 H new ATOM 0 HB3 ARG A 84 -23.530 6.675 -10.625 1.00 3.31 H new ATOM 0 HG2 ARG A 84 -22.325 8.309 -12.903 1.00 35.00 H new ATOM 0 HG3 ARG A 84 -24.023 7.900 -12.757 1.00 35.00 H new ATOM 0 HD2 ARG A 84 -22.407 9.716 -10.922 1.00 70.34 H new ATOM 0 HD3 ARG A 84 -23.705 10.185 -12.003 1.00 70.34 H new ATOM 0 HE ARG A 84 -24.416 8.248 -9.870 1.00 31.34 H new ATOM 0 HH11 ARG A 84 -24.541 11.565 -11.022 1.00 5.44 H new ATOM 0 HH12 ARG A 84 -25.743 12.027 -9.812 1.00 5.44 H new ATOM 0 HH21 ARG A 84 -25.865 8.890 -8.356 1.00 10.45 H new ATOM 0 HH22 ARG A 84 -26.473 10.548 -8.340 1.00 10.45 H new ATOM 1415 N LYS A 85 -20.342 8.111 -8.746 1.00 20.44 N ATOM 1416 CA LYS A 85 -20.200 8.612 -7.352 1.00 51.53 C ATOM 1417 C LYS A 85 -19.376 9.928 -7.284 1.00 31.14 C ATOM 1418 O LYS A 85 -19.372 10.616 -6.254 1.00 43.52 O ATOM 1419 CB LYS A 85 -19.539 7.491 -6.494 1.00 42.53 C ATOM 1420 CG LYS A 85 -19.498 7.756 -4.972 1.00 74.04 C ATOM 1421 CD LYS A 85 -18.783 6.635 -4.187 1.00 3.23 C ATOM 1422 CE LYS A 85 -18.792 6.884 -2.671 1.00 51.11 C ATOM 1423 NZ LYS A 85 -18.072 5.815 -1.935 1.00 73.04 N ATOM 0 H LYS A 85 -19.503 8.234 -9.313 1.00 20.44 H new ATOM 0 HA LYS A 85 -21.187 8.852 -6.958 1.00 51.53 H new ATOM 0 HB2 LYS A 85 -20.077 6.559 -6.669 1.00 42.53 H new ATOM 0 HB3 LYS A 85 -18.519 7.341 -6.847 1.00 42.53 H new ATOM 0 HG2 LYS A 85 -18.991 8.703 -4.787 1.00 74.04 H new ATOM 0 HG3 LYS A 85 -20.517 7.861 -4.599 1.00 74.04 H new ATOM 0 HD2 LYS A 85 -19.267 5.681 -4.399 1.00 3.23 H new ATOM 0 HD3 LYS A 85 -17.753 6.553 -4.533 1.00 3.23 H new ATOM 0 HE2 LYS A 85 -18.329 7.848 -2.458 1.00 51.11 H new ATOM 0 HE3 LYS A 85 -19.822 6.939 -2.317 1.00 51.11 H new ATOM 0 HZ1 LYS A 85 -18.171 5.971 -0.912 1.00 73.04 H new ATOM 0 HZ2 LYS A 85 -18.475 4.889 -2.185 1.00 73.04 H new ATOM 0 HZ3 LYS A 85 -17.064 5.835 -2.192 1.00 73.04 H new ATOM 1437 N LEU A 86 -18.717 10.291 -8.400 1.00 45.54 N ATOM 1438 CA LEU A 86 -17.804 11.455 -8.453 1.00 5.42 C ATOM 1439 C LEU A 86 -18.584 12.796 -8.590 1.00 11.32 C ATOM 1440 O LEU A 86 -18.690 13.378 -9.676 1.00 45.12 O ATOM 1441 CB LEU A 86 -16.773 11.258 -9.603 1.00 54.21 C ATOM 1442 CG LEU A 86 -15.904 9.954 -9.524 1.00 20.02 C ATOM 1443 CD1 LEU A 86 -14.922 9.852 -10.712 1.00 13.31 C ATOM 1444 CD2 LEU A 86 -15.153 9.851 -8.171 1.00 33.13 C ATOM 0 H LEU A 86 -18.799 9.792 -9.286 1.00 45.54 H new ATOM 0 HA LEU A 86 -17.261 11.517 -7.510 1.00 5.42 H new ATOM 0 HB2 LEU A 86 -17.310 11.257 -10.551 1.00 54.21 H new ATOM 0 HB3 LEU A 86 -16.104 12.118 -9.617 1.00 54.21 H new ATOM 0 HG LEU A 86 -16.589 9.109 -9.588 1.00 20.02 H new ATOM 0 HD11 LEU A 86 -14.337 8.936 -10.623 1.00 13.31 H new ATOM 0 HD12 LEU A 86 -15.482 9.836 -11.647 1.00 13.31 H new ATOM 0 HD13 LEU A 86 -14.252 10.712 -10.705 1.00 13.31 H new ATOM 0 HD21 LEU A 86 -14.561 8.936 -8.152 1.00 33.13 H new ATOM 0 HD22 LEU A 86 -14.494 10.711 -8.054 1.00 33.13 H new ATOM 0 HD23 LEU A 86 -15.875 9.833 -7.355 1.00 33.13 H new ATOM 1456 N GLU A 87 -19.167 13.241 -7.462 1.00 44.11 N ATOM 1457 CA GLU A 87 -19.832 14.556 -7.327 1.00 73.12 C ATOM 1458 C GLU A 87 -19.371 15.248 -6.026 1.00 54.32 C ATOM 1459 O GLU A 87 -18.829 14.592 -5.123 1.00 32.33 O ATOM 1460 CB GLU A 87 -21.381 14.396 -7.352 1.00 41.10 C ATOM 1461 CG GLU A 87 -21.967 13.513 -6.222 1.00 63.44 C ATOM 1462 CD GLU A 87 -23.502 13.382 -6.292 1.00 1.53 C ATOM 1463 OE1 GLU A 87 -24.005 12.520 -7.048 1.00 43.23 O ATOM 1464 OE2 GLU A 87 -24.214 14.149 -5.608 1.00 14.12 O ATOM 0 H GLU A 87 -19.191 12.691 -6.604 1.00 44.11 H new ATOM 0 HA GLU A 87 -19.548 15.181 -8.173 1.00 73.12 H new ATOM 0 HB2 GLU A 87 -21.834 15.385 -7.291 1.00 41.10 H new ATOM 0 HB3 GLU A 87 -21.672 13.971 -8.313 1.00 41.10 H new ATOM 0 HG2 GLU A 87 -21.521 12.520 -6.276 1.00 63.44 H new ATOM 0 HG3 GLU A 87 -21.688 13.936 -5.257 1.00 63.44 H new ATOM 1471 N ASN A 88 -19.593 16.568 -5.928 1.00 31.35 N ATOM 1472 CA ASN A 88 -19.086 17.390 -4.804 1.00 45.33 C ATOM 1473 C ASN A 88 -20.221 18.215 -4.153 1.00 22.54 C ATOM 1474 O ASN A 88 -21.171 18.644 -4.826 1.00 73.42 O ATOM 1475 CB ASN A 88 -17.954 18.322 -5.323 1.00 51.20 C ATOM 1476 CG ASN A 88 -17.255 19.151 -4.232 1.00 2.02 C ATOM 1477 OD1 ASN A 88 -17.137 18.732 -3.081 1.00 43.45 O ATOM 1478 ND2 ASN A 88 -16.773 20.331 -4.588 1.00 43.14 N ATOM 0 H ASN A 88 -20.125 17.098 -6.618 1.00 31.35 H new ATOM 0 HA ASN A 88 -18.687 16.728 -4.035 1.00 45.33 H new ATOM 0 HB2 ASN A 88 -17.207 17.714 -5.834 1.00 51.20 H new ATOM 0 HB3 ASN A 88 -18.373 19.002 -6.065 1.00 51.20 H new ATOM 0 HD21 ASN A 88 -16.292 20.913 -3.902 1.00 43.14 H new ATOM 0 HD22 ASN A 88 -16.882 20.658 -5.548 1.00 43.14 H new ATOM 1485 N ILE A 89 -20.098 18.423 -2.832 1.00 23.25 N ATOM 1486 CA ILE A 89 -20.986 19.299 -2.035 1.00 60.10 C ATOM 1487 C ILE A 89 -20.119 20.362 -1.299 1.00 2.53 C ATOM 1488 O ILE A 89 -18.995 20.054 -0.878 1.00 1.02 O ATOM 1489 CB ILE A 89 -21.862 18.460 -1.014 1.00 72.03 C ATOM 1490 CG1 ILE A 89 -22.925 19.357 -0.286 1.00 43.42 C ATOM 1491 CG2 ILE A 89 -20.980 17.693 0.005 1.00 45.51 C ATOM 1492 CD1 ILE A 89 -23.973 19.979 -1.209 1.00 2.31 C ATOM 0 H ILE A 89 -19.367 17.981 -2.274 1.00 23.25 H new ATOM 0 HA ILE A 89 -21.684 19.805 -2.703 1.00 60.10 H new ATOM 0 HB ILE A 89 -22.406 17.718 -1.598 1.00 72.03 H new ATOM 0 HG12 ILE A 89 -23.434 18.755 0.467 1.00 43.42 H new ATOM 0 HG13 ILE A 89 -22.406 20.156 0.243 1.00 43.42 H new ATOM 0 HG21 ILE A 89 -21.618 17.130 0.687 1.00 45.51 H new ATOM 0 HG22 ILE A 89 -20.323 17.006 -0.528 1.00 45.51 H new ATOM 0 HG23 ILE A 89 -20.379 18.403 0.573 1.00 45.51 H new ATOM 0 HD11 ILE A 89 -24.665 20.581 -0.620 1.00 2.31 H new ATOM 0 HD12 ILE A 89 -23.479 20.611 -1.947 1.00 2.31 H new ATOM 0 HD13 ILE A 89 -24.524 19.189 -1.719 1.00 2.31 H new ATOM 1504 N VAL A 90 -20.656 21.599 -1.163 1.00 33.34 N ATOM 1505 CA VAL A 90 -19.941 22.782 -0.587 1.00 42.15 C ATOM 1506 C VAL A 90 -18.741 23.227 -1.506 1.00 55.55 C ATOM 1507 O VAL A 90 -17.621 22.664 -1.394 1.00 37.60 O ATOM 1508 CB VAL A 90 -19.475 22.553 0.920 1.00 11.20 C ATOM 1509 CG1 VAL A 90 -18.851 23.835 1.522 1.00 64.21 C ATOM 1510 CG2 VAL A 90 -20.644 22.033 1.805 1.00 13.42 C ATOM 1511 OXT VAL A 90 -18.940 24.116 -2.376 1.00 37.60 O ATOM 0 H VAL A 90 -21.610 21.814 -1.452 1.00 33.34 H new ATOM 0 HA VAL A 90 -20.663 23.598 -0.559 1.00 42.15 H new ATOM 0 HB VAL A 90 -18.703 21.784 0.905 1.00 11.20 H new ATOM 0 HG11 VAL A 90 -18.545 23.642 2.550 1.00 64.21 H new ATOM 0 HG12 VAL A 90 -17.982 24.128 0.933 1.00 64.21 H new ATOM 0 HG13 VAL A 90 -19.587 24.639 1.507 1.00 64.21 H new ATOM 0 HG21 VAL A 90 -20.291 21.888 2.826 1.00 13.42 H new ATOM 0 HG22 VAL A 90 -21.455 22.762 1.802 1.00 13.42 H new ATOM 0 HG23 VAL A 90 -21.007 21.085 1.408 1.00 13.42 H new TER 1521 VAL A 90