USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 987 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 33 SER OG : rot -130:sc= 0 USER MOD Set 1.2: A 130 HIS : no HD1:sc= 0 X(o=0,f=0.31) USER MOD Set 2.1: A 86 THR OG1 : rot 109:sc= 0.38 USER MOD Set 2.2: A 115 GLN : amide:sc= 0.449 K(o=0.83,f=0.12) USER MOD Set 3.1: A 58 MET CE :methyl -151:sc= -0.215 (180deg=-1.18) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.154 X(o=-0.37,f=-0.33) USER MOD Set 4.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 69 HIS : no HE2:sc= -2.25! X(o=-2.3!,f=-2.7) USER MOD Set 5.1: A 47 LYS NZ :NH3+ -173:sc= 0.374 (180deg=0) USER MOD Set 5.2: A 51 SER OG : rot 77:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.248 (180deg=-1.38) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0775 (180deg=-0.475) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -84:sc= 0.776 USER MOD Single : A 6 TYR OH : rot 164:sc= 0.583 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -2:sc= 0.388 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= 1.49 (180deg=1.3) USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.875 USER MOD Single : A 23 THR OG1 : rot 145:sc= 0.187 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.129 K(o=-0.13,f=-3.7) USER MOD Single : A 40 ASN : amide:sc= 0.419 K(o=0.42,f=-2.4) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 53 ASN : amide:sc= 0.485 X(o=0.49,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 104:sc= -0.0542 USER MOD Single : A 71 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.79) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 0.792 (180deg=0.703) USER MOD Single : A 78 TYR OH : rot 180:sc=-0.00141 USER MOD Single : A 82 LYS NZ :NH3+ -129:sc= -0.0357 (180deg=-0.328) USER MOD Single : A 83 GLN : amide:sc= 0.19 K(o=0.19,f=-2.7!) USER MOD Single : A 89 LYS NZ :NH3+ 143:sc= 0.242 (180deg=-0.22) USER MOD Single : A 90 TYR OH : rot 37:sc= -0.582 USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= 1.05 (180deg=0.575) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0.699 K(o=0.7,f=-3.3!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -157:sc= 0.0185 (180deg=-0.157) USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 0.197 (180deg=0.148) USER MOD Single : A 109 LYS NZ :NH3+ 168:sc= 0.628 (180deg=0.456) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -111:sc= 0.149 (180deg=-0.0684) USER MOD Single : A 123 LYS NZ :NH3+ 174:sc=-0.00375 (180deg=-0.0561) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0.433 K(o=0.43,f=-2.9!) USER MOD Single : A 128 HIS : no HD1:sc=-0.00134 X(o=-0.0013,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.154 K(o=-0.12,f=-5.2!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.698 -8.239 16.689 1.00 24.45 N ATOM 2 CA MET A 1 4.080 -8.586 15.299 1.00 14.25 C ATOM 3 C MET A 1 5.289 -9.510 15.316 1.00 3.44 C ATOM 4 O MET A 1 6.223 -9.296 16.086 1.00 54.24 O ATOM 5 CB MET A 1 4.428 -7.317 14.524 1.00 12.24 C ATOM 6 CG MET A 1 3.250 -6.377 14.315 1.00 33.22 C ATOM 7 SD MET A 1 3.762 -4.667 14.035 1.00 1.31 S ATOM 8 CE MET A 1 4.892 -4.845 12.659 1.00 64.54 C ATOM 0 H1 MET A 1 2.702 -7.939 16.711 1.00 24.45 H new ATOM 0 H2 MET A 1 3.823 -9.070 17.301 1.00 24.45 H new ATOM 0 H3 MET A 1 4.301 -7.463 17.031 1.00 24.45 H new ATOM 0 HA MET A 1 3.242 -9.088 14.815 1.00 14.25 H new ATOM 0 HB2 MET A 1 5.216 -6.783 15.056 1.00 12.24 H new ATOM 0 HB3 MET A 1 4.833 -7.597 13.552 1.00 12.24 H new ATOM 0 HG2 MET A 1 2.664 -6.720 13.463 1.00 33.22 H new ATOM 0 HG3 MET A 1 2.598 -6.418 15.188 1.00 33.22 H new ATOM 0 HE1 MET A 1 4.745 -4.023 11.959 1.00 64.54 H new ATOM 0 HE2 MET A 1 5.918 -4.829 13.026 1.00 64.54 H new ATOM 0 HE3 MET A 1 4.703 -5.791 12.153 1.00 64.54 H new ATOM 20 N LYS A 2 5.274 -10.530 14.471 1.00 62.32 N ATOM 21 CA LYS A 2 6.352 -11.517 14.440 1.00 1.21 C ATOM 22 C LYS A 2 7.089 -11.468 13.114 1.00 34.32 C ATOM 23 O LYS A 2 6.674 -10.757 12.207 1.00 14.52 O ATOM 24 CB LYS A 2 5.799 -12.925 14.659 1.00 23.12 C ATOM 25 CG LYS A 2 5.178 -13.147 16.029 1.00 54.11 C ATOM 26 CD LYS A 2 4.762 -14.597 16.221 1.00 33.30 C ATOM 27 CE LYS A 2 3.657 -15.013 15.261 1.00 21.15 C ATOM 28 NZ LYS A 2 3.329 -16.451 15.397 1.00 72.00 N ATOM 0 H LYS A 2 4.528 -10.699 13.796 1.00 62.32 H new ATOM 0 HA LYS A 2 7.047 -11.275 15.244 1.00 1.21 H new ATOM 0 HB2 LYS A 2 5.049 -13.131 13.895 1.00 23.12 H new ATOM 0 HB3 LYS A 2 6.605 -13.645 14.517 1.00 23.12 H new ATOM 0 HG2 LYS A 2 5.892 -12.866 16.804 1.00 54.11 H new ATOM 0 HG3 LYS A 2 4.309 -12.499 16.146 1.00 54.11 H new ATOM 0 HD2 LYS A 2 5.628 -15.243 16.077 1.00 33.30 H new ATOM 0 HD3 LYS A 2 4.423 -14.743 17.247 1.00 33.30 H new ATOM 0 HE2 LYS A 2 2.765 -14.416 15.452 1.00 21.15 H new ATOM 0 HE3 LYS A 2 3.967 -14.805 14.237 1.00 21.15 H new ATOM 0 HZ1 LYS A 2 2.572 -16.699 14.728 1.00 72.00 H new ATOM 0 HZ2 LYS A 2 4.174 -17.021 15.191 1.00 72.00 H new ATOM 0 HZ3 LYS A 2 3.010 -16.644 16.368 1.00 72.00 H new ATOM 42 N ASP A 3 8.180 -12.223 13.016 1.00 54.12 N ATOM 43 CA ASP A 3 8.919 -12.378 11.763 1.00 12.53 C ATOM 44 C ASP A 3 8.060 -13.111 10.735 1.00 43.21 C ATOM 45 O ASP A 3 7.703 -14.275 10.922 1.00 62.21 O ATOM 46 CB ASP A 3 10.227 -13.146 12.006 1.00 12.05 C ATOM 47 CG ASP A 3 11.100 -13.277 10.762 1.00 22.03 C ATOM 48 OD1 ASP A 3 10.919 -14.235 9.983 1.00 70.03 O ATOM 49 OD2 ASP A 3 11.985 -12.426 10.564 1.00 15.21 O ATOM 0 H ASP A 3 8.577 -12.743 13.799 1.00 54.12 H new ATOM 0 HA ASP A 3 9.164 -11.389 11.376 1.00 12.53 H new ATOM 0 HB2 ASP A 3 10.795 -12.640 12.787 1.00 12.05 H new ATOM 0 HB3 ASP A 3 9.989 -14.142 12.379 1.00 12.05 H new ATOM 54 N GLY A 4 7.715 -12.399 9.679 1.00 12.03 N ATOM 55 CA GLY A 4 6.892 -12.940 8.627 1.00 71.24 C ATOM 56 C GLY A 4 6.462 -11.869 7.654 1.00 2.54 C ATOM 57 O GLY A 4 6.659 -10.677 7.903 1.00 5.52 O ATOM 0 H GLY A 4 8.000 -11.431 9.531 1.00 12.03 H new ATOM 0 HA2 GLY A 4 7.443 -13.716 8.095 1.00 71.24 H new ATOM 0 HA3 GLY A 4 6.011 -13.414 9.060 1.00 71.24 H new ATOM 61 N THR A 5 5.875 -12.291 6.550 1.00 31.22 N ATOM 62 CA THR A 5 5.423 -11.365 5.528 1.00 62.32 C ATOM 63 C THR A 5 3.900 -11.291 5.551 1.00 64.23 C ATOM 64 O THR A 5 3.224 -12.303 5.404 1.00 2.24 O ATOM 65 CB THR A 5 5.910 -11.788 4.126 1.00 30.31 C ATOM 66 OG1 THR A 5 7.264 -12.257 4.191 1.00 32.14 O ATOM 67 CG2 THR A 5 5.837 -10.614 3.168 1.00 14.42 C ATOM 0 H THR A 5 5.699 -13.273 6.337 1.00 31.22 H new ATOM 0 HA THR A 5 5.845 -10.383 5.743 1.00 62.32 H new ATOM 0 HB THR A 5 5.265 -12.590 3.768 1.00 30.31 H new ATOM 0 HG1 THR A 5 7.877 -11.493 4.153 1.00 32.14 H new ATOM 0 HG21 THR A 5 6.183 -10.926 2.183 1.00 14.42 H new ATOM 0 HG22 THR A 5 4.807 -10.266 3.097 1.00 14.42 H new ATOM 0 HG23 THR A 5 6.469 -9.805 3.535 1.00 14.42 H new ATOM 75 N TYR A 6 3.387 -10.089 5.760 1.00 4.34 N ATOM 76 CA TYR A 6 1.954 -9.848 5.920 1.00 63.33 C ATOM 77 C TYR A 6 1.429 -9.067 4.734 1.00 64.22 C ATOM 78 O TYR A 6 2.127 -8.232 4.228 1.00 54.35 O ATOM 79 CB TYR A 6 1.716 -9.042 7.207 1.00 24.04 C ATOM 80 CG TYR A 6 2.294 -9.699 8.442 1.00 21.24 C ATOM 81 CD1 TYR A 6 1.673 -10.785 9.014 1.00 25.40 C ATOM 82 CD2 TYR A 6 3.470 -9.244 9.022 1.00 62.44 C ATOM 83 CE1 TYR A 6 2.195 -11.406 10.118 1.00 1.22 C ATOM 84 CE2 TYR A 6 3.998 -9.861 10.141 1.00 73.04 C ATOM 85 CZ TYR A 6 3.352 -10.943 10.684 1.00 71.20 C ATOM 86 OH TYR A 6 3.854 -11.570 11.797 1.00 44.03 O ATOM 0 H TYR A 6 3.954 -9.244 5.825 1.00 4.34 H new ATOM 0 HA TYR A 6 1.432 -10.803 5.981 1.00 63.33 H new ATOM 0 HB2 TYR A 6 2.155 -8.051 7.093 1.00 24.04 H new ATOM 0 HB3 TYR A 6 0.644 -8.902 7.347 1.00 24.04 H new ATOM 0 HD1 TYR A 6 0.755 -11.156 8.584 1.00 25.40 H new ATOM 0 HD2 TYR A 6 3.981 -8.395 8.593 1.00 62.44 H new ATOM 0 HE1 TYR A 6 1.693 -12.263 10.543 1.00 1.22 H new ATOM 0 HE2 TYR A 6 4.912 -9.494 10.584 1.00 73.04 H new ATOM 0 HH TYR A 6 4.787 -11.302 11.930 1.00 44.03 H new ATOM 96 N TYR A 7 0.229 -9.355 4.255 1.00 62.24 N ATOM 97 CA TYR A 7 -0.372 -8.510 3.225 1.00 74.01 C ATOM 98 C TYR A 7 -1.869 -8.360 3.466 1.00 12.42 C ATOM 99 O TYR A 7 -2.497 -9.243 4.047 1.00 53.44 O ATOM 100 CB TYR A 7 -0.036 -9.044 1.802 1.00 22.11 C ATOM 101 CG TYR A 7 -1.178 -9.636 0.992 1.00 11.50 C ATOM 102 CD1 TYR A 7 -1.661 -10.916 1.246 1.00 62.25 C ATOM 103 CD2 TYR A 7 -1.767 -8.908 -0.031 1.00 41.05 C ATOM 104 CE1 TYR A 7 -2.696 -11.441 0.505 1.00 52.24 C ATOM 105 CE2 TYR A 7 -2.802 -9.429 -0.773 1.00 0.34 C ATOM 106 CZ TYR A 7 -3.262 -10.695 -0.501 1.00 11.41 C ATOM 107 OH TYR A 7 -4.295 -11.218 -1.239 1.00 53.54 O ATOM 0 H TYR A 7 -0.340 -10.148 4.552 1.00 62.24 H new ATOM 0 HA TYR A 7 0.060 -7.511 3.287 1.00 74.01 H new ATOM 0 HB2 TYR A 7 0.396 -8.224 1.227 1.00 22.11 H new ATOM 0 HB3 TYR A 7 0.737 -9.806 1.901 1.00 22.11 H new ATOM 0 HD1 TYR A 7 -1.218 -11.506 2.035 1.00 62.25 H new ATOM 0 HD2 TYR A 7 -1.407 -7.914 -0.249 1.00 41.05 H new ATOM 0 HE1 TYR A 7 -3.062 -12.436 0.714 1.00 52.24 H new ATOM 0 HE2 TYR A 7 -3.250 -8.846 -1.564 1.00 0.34 H new ATOM 0 HH TYR A 7 -4.583 -10.563 -1.909 1.00 53.54 H new ATOM 117 N ALA A 8 -2.427 -7.238 3.031 1.00 3.34 N ATOM 118 CA ALA A 8 -3.864 -7.047 3.039 1.00 2.14 C ATOM 119 C ALA A 8 -4.296 -6.392 1.743 1.00 23.54 C ATOM 120 O ALA A 8 -3.573 -5.556 1.204 1.00 33.32 O ATOM 121 CB ALA A 8 -4.300 -6.201 4.220 1.00 71.22 C ATOM 0 H ALA A 8 -1.899 -6.445 2.667 1.00 3.34 H new ATOM 0 HA ALA A 8 -4.340 -8.023 3.133 1.00 2.14 H new ATOM 0 HB1 ALA A 8 -5.383 -6.076 4.198 1.00 71.22 H new ATOM 0 HB2 ALA A 8 -4.011 -6.695 5.148 1.00 71.22 H new ATOM 0 HB3 ALA A 8 -3.821 -5.224 4.164 1.00 71.22 H new ATOM 127 N GLU A 9 -5.471 -6.759 1.254 1.00 65.32 N ATOM 128 CA GLU A 9 -5.997 -6.184 0.024 1.00 71.22 C ATOM 129 C GLU A 9 -7.243 -5.353 0.301 1.00 44.10 C ATOM 130 O GLU A 9 -7.947 -5.582 1.290 1.00 51.30 O ATOM 131 CB GLU A 9 -6.243 -7.263 -1.061 1.00 25.51 C ATOM 132 CG GLU A 9 -6.833 -8.598 -0.590 1.00 61.10 C ATOM 133 CD GLU A 9 -8.300 -8.537 -0.223 1.00 23.41 C ATOM 134 OE1 GLU A 9 -9.140 -8.395 -1.134 1.00 43.54 O ATOM 135 OE2 GLU A 9 -8.617 -8.664 0.971 1.00 63.22 O ATOM 0 H GLU A 9 -6.079 -7.453 1.690 1.00 65.32 H new ATOM 0 HA GLU A 9 -5.239 -5.512 -0.378 1.00 71.22 H new ATOM 0 HB2 GLU A 9 -6.912 -6.843 -1.812 1.00 25.51 H new ATOM 0 HB3 GLU A 9 -5.294 -7.468 -1.557 1.00 25.51 H new ATOM 0 HG2 GLU A 9 -6.698 -9.339 -1.378 1.00 61.10 H new ATOM 0 HG3 GLU A 9 -6.268 -8.946 0.275 1.00 61.10 H new ATOM 142 N ALA A 10 -7.465 -4.343 -0.541 1.00 70.50 N ATOM 143 CA ALA A 10 -8.603 -3.440 -0.412 1.00 32.21 C ATOM 144 C ALA A 10 -9.882 -4.193 -0.729 1.00 44.13 C ATOM 145 O ALA A 10 -9.867 -5.114 -1.542 1.00 32.40 O ATOM 146 CB ALA A 10 -8.440 -2.241 -1.339 1.00 61.11 C ATOM 0 H ALA A 10 -6.858 -4.130 -1.332 1.00 70.50 H new ATOM 0 HA ALA A 10 -8.653 -3.068 0.611 1.00 32.21 H new ATOM 0 HB1 ALA A 10 -9.298 -1.578 -1.230 1.00 61.11 H new ATOM 0 HB2 ALA A 10 -7.529 -1.702 -1.080 1.00 61.11 H new ATOM 0 HB3 ALA A 10 -8.376 -2.585 -2.371 1.00 61.11 H new ATOM 152 N ASP A 11 -10.970 -3.809 -0.071 1.00 23.02 N ATOM 153 CA ASP A 11 -12.243 -4.539 -0.133 1.00 2.43 C ATOM 154 C ASP A 11 -12.830 -4.536 -1.537 1.00 54.24 C ATOM 155 O ASP A 11 -13.287 -5.570 -2.026 1.00 62.25 O ATOM 156 CB ASP A 11 -13.246 -3.933 0.859 1.00 44.31 C ATOM 157 CG ASP A 11 -12.745 -3.977 2.293 1.00 20.40 C ATOM 158 OD1 ASP A 11 -11.951 -3.087 2.679 1.00 74.23 O ATOM 159 OD2 ASP A 11 -13.124 -4.902 3.044 1.00 24.41 O ATOM 0 H ASP A 11 -11.000 -2.981 0.524 1.00 23.02 H new ATOM 0 HA ASP A 11 -12.043 -5.576 0.139 1.00 2.43 H new ATOM 0 HB2 ASP A 11 -13.449 -2.899 0.580 1.00 44.31 H new ATOM 0 HB3 ASP A 11 -14.191 -4.473 0.791 1.00 44.31 H new ATOM 164 N ASP A 12 -12.775 -3.389 -2.188 1.00 51.51 N ATOM 165 CA ASP A 12 -13.225 -3.244 -3.561 1.00 62.05 C ATOM 166 C ASP A 12 -12.052 -2.757 -4.425 1.00 43.25 C ATOM 167 O ASP A 12 -11.047 -2.288 -3.892 1.00 25.01 O ATOM 168 CB ASP A 12 -14.397 -2.248 -3.581 1.00 12.44 C ATOM 169 CG ASP A 12 -15.106 -2.153 -4.920 1.00 11.42 C ATOM 170 OD1 ASP A 12 -15.316 -3.198 -5.562 1.00 24.30 O ATOM 171 OD2 ASP A 12 -15.451 -1.030 -5.330 1.00 4.05 O ATOM 0 H ASP A 12 -12.415 -2.527 -1.778 1.00 51.51 H new ATOM 0 HA ASP A 12 -13.568 -4.195 -3.968 1.00 62.05 H new ATOM 0 HB2 ASP A 12 -15.120 -2.539 -2.819 1.00 12.44 H new ATOM 0 HB3 ASP A 12 -14.025 -1.260 -3.308 1.00 12.44 H new ATOM 176 N PHE A 13 -12.162 -2.908 -5.746 1.00 50.45 N ATOM 177 CA PHE A 13 -11.187 -2.322 -6.674 1.00 1.01 C ATOM 178 C PHE A 13 -11.457 -0.829 -6.814 1.00 10.41 C ATOM 179 O PHE A 13 -12.583 -0.375 -6.602 1.00 42.45 O ATOM 180 CB PHE A 13 -11.258 -2.962 -8.066 1.00 53.04 C ATOM 181 CG PHE A 13 -10.922 -4.427 -8.121 1.00 0.53 C ATOM 182 CD1 PHE A 13 -9.612 -4.846 -8.254 1.00 10.34 C ATOM 183 CD2 PHE A 13 -11.920 -5.382 -8.063 1.00 53.04 C ATOM 184 CE1 PHE A 13 -9.302 -6.191 -8.321 1.00 11.24 C ATOM 185 CE2 PHE A 13 -11.620 -6.725 -8.129 1.00 74.53 C ATOM 186 CZ PHE A 13 -10.309 -7.132 -8.260 1.00 61.33 C ATOM 0 H PHE A 13 -12.913 -3.429 -6.198 1.00 50.45 H new ATOM 0 HA PHE A 13 -10.194 -2.505 -6.263 1.00 1.01 H new ATOM 0 HB2 PHE A 13 -12.265 -2.823 -8.460 1.00 53.04 H new ATOM 0 HB3 PHE A 13 -10.579 -2.426 -8.729 1.00 53.04 H new ATOM 0 HD1 PHE A 13 -8.820 -4.113 -8.306 1.00 10.34 H new ATOM 0 HD2 PHE A 13 -12.949 -5.071 -7.965 1.00 53.04 H new ATOM 0 HE1 PHE A 13 -8.273 -6.505 -8.421 1.00 11.24 H new ATOM 0 HE2 PHE A 13 -12.411 -7.459 -8.078 1.00 74.53 H new ATOM 0 HZ PHE A 13 -10.071 -8.184 -8.315 1.00 61.33 H new ATOM 196 N ASP A 14 -10.438 -0.074 -7.186 1.00 52.34 N ATOM 197 CA ASP A 14 -10.582 1.374 -7.334 1.00 34.21 C ATOM 198 C ASP A 14 -11.111 1.737 -8.738 1.00 25.52 C ATOM 199 O ASP A 14 -11.481 0.849 -9.517 1.00 34.53 O ATOM 200 CB ASP A 14 -9.244 2.083 -7.019 1.00 20.33 C ATOM 201 CG ASP A 14 -8.342 2.315 -8.222 1.00 13.20 C ATOM 202 OD1 ASP A 14 -7.932 1.344 -8.872 1.00 1.24 O ATOM 203 OD2 ASP A 14 -8.088 3.498 -8.547 1.00 45.23 O ATOM 0 H ASP A 14 -9.505 -0.431 -7.391 1.00 52.34 H new ATOM 0 HA ASP A 14 -11.321 1.727 -6.614 1.00 34.21 H new ATOM 0 HB2 ASP A 14 -9.460 3.045 -6.555 1.00 20.33 H new ATOM 0 HB3 ASP A 14 -8.700 1.490 -6.284 1.00 20.33 H new ATOM 208 N GLU A 15 -11.172 3.047 -9.026 1.00 60.25 N ATOM 209 CA GLU A 15 -11.557 3.581 -10.336 1.00 40.55 C ATOM 210 C GLU A 15 -10.667 3.054 -11.476 1.00 72.42 C ATOM 211 O GLU A 15 -11.191 2.593 -12.489 1.00 3.34 O ATOM 212 CB GLU A 15 -11.491 5.108 -10.307 1.00 3.11 C ATOM 213 CG GLU A 15 -12.387 5.744 -9.251 1.00 74.10 C ATOM 214 CD GLU A 15 -13.860 5.498 -9.497 1.00 63.43 C ATOM 215 OE1 GLU A 15 -14.455 6.218 -10.314 1.00 75.23 O ATOM 216 OE2 GLU A 15 -14.429 4.580 -8.876 1.00 22.21 O ATOM 0 H GLU A 15 -10.952 3.773 -8.344 1.00 60.25 H new ATOM 0 HA GLU A 15 -12.575 3.244 -10.534 1.00 40.55 H new ATOM 0 HB2 GLU A 15 -10.460 5.414 -10.127 1.00 3.11 H new ATOM 0 HB3 GLU A 15 -11.772 5.493 -11.287 1.00 3.11 H new ATOM 0 HG2 GLU A 15 -12.118 5.352 -8.270 1.00 74.10 H new ATOM 0 HG3 GLU A 15 -12.203 6.818 -9.226 1.00 74.10 H new ATOM 223 N SER A 16 -9.331 3.069 -11.285 1.00 12.21 N ATOM 224 CA SER A 16 -8.385 2.653 -12.336 1.00 23.32 C ATOM 225 C SER A 16 -8.275 1.124 -12.457 1.00 43.21 C ATOM 226 O SER A 16 -7.572 0.617 -13.339 1.00 24.05 O ATOM 227 CB SER A 16 -6.992 3.269 -12.121 1.00 63.13 C ATOM 228 OG SER A 16 -6.367 2.838 -10.919 1.00 51.04 O ATOM 0 H SER A 16 -8.887 3.364 -10.415 1.00 12.21 H new ATOM 0 HA SER A 16 -8.791 3.031 -13.274 1.00 23.32 H new ATOM 0 HB2 SER A 16 -6.354 3.012 -12.967 1.00 63.13 H new ATOM 0 HB3 SER A 16 -7.081 4.355 -12.107 1.00 63.13 H new ATOM 0 HG SER A 16 -6.975 2.247 -10.428 1.00 51.04 H new ATOM 234 N GLY A 17 -8.978 0.408 -11.581 1.00 70.10 N ATOM 235 CA GLY A 17 -9.109 -1.022 -11.707 1.00 2.14 C ATOM 236 C GLY A 17 -8.001 -1.783 -11.025 1.00 4.02 C ATOM 237 O GLY A 17 -7.438 -2.711 -11.609 1.00 44.41 O ATOM 0 H GLY A 17 -9.463 0.807 -10.777 1.00 70.10 H new ATOM 0 HA2 GLY A 17 -10.066 -1.331 -11.286 1.00 2.14 H new ATOM 0 HA3 GLY A 17 -9.126 -1.287 -12.764 1.00 2.14 H new ATOM 241 N TRP A 18 -7.657 -1.364 -9.816 1.00 63.21 N ATOM 242 CA TRP A 18 -6.663 -2.055 -9.005 1.00 71.15 C ATOM 243 C TRP A 18 -7.122 -2.131 -7.548 1.00 42.01 C ATOM 244 O TRP A 18 -7.751 -1.222 -7.039 1.00 44.43 O ATOM 245 CB TRP A 18 -5.288 -1.356 -9.070 1.00 42.24 C ATOM 246 CG TRP A 18 -4.669 -1.253 -10.441 1.00 54.25 C ATOM 247 CD1 TRP A 18 -4.813 -0.225 -11.334 1.00 64.45 C ATOM 248 CD2 TRP A 18 -3.799 -2.203 -11.071 1.00 23.22 C ATOM 249 NE1 TRP A 18 -4.106 -0.493 -12.479 1.00 64.42 N ATOM 250 CE2 TRP A 18 -3.472 -1.695 -12.340 1.00 52.41 C ATOM 251 CE3 TRP A 18 -3.269 -3.436 -10.691 1.00 60.12 C ATOM 252 CZ2 TRP A 18 -2.638 -2.374 -13.221 1.00 62.14 C ATOM 253 CZ3 TRP A 18 -2.441 -4.106 -11.564 1.00 61.34 C ATOM 254 CH2 TRP A 18 -2.133 -3.574 -12.815 1.00 32.52 C ATOM 0 H TRP A 18 -8.057 -0.538 -9.370 1.00 63.21 H new ATOM 0 HA TRP A 18 -6.558 -3.061 -9.411 1.00 71.15 H new ATOM 0 HB2 TRP A 18 -5.393 -0.350 -8.663 1.00 42.24 H new ATOM 0 HB3 TRP A 18 -4.597 -1.893 -8.420 1.00 42.24 H new ATOM 0 HD1 TRP A 18 -5.398 0.667 -11.162 1.00 64.45 H new ATOM 0 HE1 TRP A 18 -4.061 0.108 -13.302 1.00 64.42 H new ATOM 0 HE3 TRP A 18 -3.505 -3.859 -9.726 1.00 60.12 H new ATOM 0 HZ2 TRP A 18 -2.399 -1.966 -14.192 1.00 62.14 H new ATOM 0 HZ3 TRP A 18 -2.024 -5.059 -11.275 1.00 61.34 H new ATOM 0 HH2 TRP A 18 -1.480 -4.124 -13.477 1.00 32.52 H new ATOM 265 N LYS A 19 -6.875 -3.272 -6.927 1.00 64.31 N ATOM 266 CA LYS A 19 -6.976 -3.435 -5.479 1.00 60.35 C ATOM 267 C LYS A 19 -5.663 -3.028 -4.830 1.00 5.41 C ATOM 268 O LYS A 19 -4.610 -3.469 -5.275 1.00 70.53 O ATOM 269 CB LYS A 19 -7.222 -4.904 -5.149 1.00 44.54 C ATOM 270 CG LYS A 19 -8.645 -5.294 -4.791 1.00 22.43 C ATOM 271 CD LYS A 19 -8.727 -6.805 -4.633 1.00 20.42 C ATOM 272 CE LYS A 19 -10.160 -7.314 -4.584 1.00 64.14 C ATOM 273 NZ LYS A 19 -10.774 -7.169 -3.242 1.00 2.04 N ATOM 0 H LYS A 19 -6.595 -4.123 -7.415 1.00 64.31 H new ATOM 0 HA LYS A 19 -7.794 -2.816 -5.110 1.00 60.35 H new ATOM 0 HB2 LYS A 19 -6.911 -5.502 -6.006 1.00 44.54 H new ATOM 0 HB3 LYS A 19 -6.574 -5.179 -4.316 1.00 44.54 H new ATOM 0 HG2 LYS A 19 -8.947 -4.803 -3.866 1.00 22.43 H new ATOM 0 HG3 LYS A 19 -9.332 -4.960 -5.568 1.00 22.43 H new ATOM 0 HD2 LYS A 19 -8.205 -7.282 -5.463 1.00 20.42 H new ATOM 0 HD3 LYS A 19 -8.210 -7.099 -3.720 1.00 20.42 H new ATOM 0 HE2 LYS A 19 -10.759 -6.770 -5.314 1.00 64.14 H new ATOM 0 HE3 LYS A 19 -10.178 -8.364 -4.876 1.00 64.14 H new ATOM 0 HZ1 LYS A 19 -11.809 -7.219 -3.327 1.00 2.04 H new ATOM 0 HZ2 LYS A 19 -10.440 -7.935 -2.623 1.00 2.04 H new ATOM 0 HZ3 LYS A 19 -10.504 -6.251 -2.834 1.00 2.04 H new ATOM 287 N ASP A 20 -5.718 -2.200 -3.796 1.00 73.15 N ATOM 288 CA ASP A 20 -4.516 -1.879 -3.011 1.00 61.33 C ATOM 289 C ASP A 20 -4.080 -3.086 -2.236 1.00 62.34 C ATOM 290 O ASP A 20 -4.884 -3.699 -1.552 1.00 20.32 O ATOM 291 CB ASP A 20 -4.765 -0.804 -1.956 1.00 34.14 C ATOM 292 CG ASP A 20 -5.447 0.413 -2.484 1.00 72.42 C ATOM 293 OD1 ASP A 20 -6.688 0.400 -2.560 1.00 72.54 O ATOM 294 OD2 ASP A 20 -4.756 1.405 -2.783 1.00 70.33 O ATOM 0 H ASP A 20 -6.570 -1.738 -3.477 1.00 73.15 H new ATOM 0 HA ASP A 20 -3.776 -1.537 -3.735 1.00 61.33 H new ATOM 0 HB2 ASP A 20 -5.369 -1.228 -1.154 1.00 34.14 H new ATOM 0 HB3 ASP A 20 -3.811 -0.512 -1.516 1.00 34.14 H new ATOM 299 N THR A 21 -2.820 -3.432 -2.322 1.00 32.03 N ATOM 300 CA THR A 21 -2.299 -4.423 -1.415 1.00 61.04 C ATOM 301 C THR A 21 -1.056 -3.852 -0.771 1.00 21.31 C ATOM 302 O THR A 21 -0.186 -3.290 -1.446 1.00 20.30 O ATOM 303 CB THR A 21 -2.003 -5.812 -2.065 1.00 45.13 C ATOM 304 OG1 THR A 21 -0.890 -5.750 -2.939 1.00 70.03 O ATOM 305 CG2 THR A 21 -3.194 -6.338 -2.844 1.00 33.54 C ATOM 0 H THR A 21 -2.151 -3.054 -2.992 1.00 32.03 H new ATOM 0 HA THR A 21 -3.073 -4.633 -0.677 1.00 61.04 H new ATOM 0 HB THR A 21 -1.785 -6.490 -1.240 1.00 45.13 H new ATOM 0 HG1 THR A 21 -0.826 -6.585 -3.447 1.00 70.03 H new ATOM 0 HG21 THR A 21 -2.945 -7.306 -3.280 1.00 33.54 H new ATOM 0 HG22 THR A 21 -4.046 -6.450 -2.174 1.00 33.54 H new ATOM 0 HG23 THR A 21 -3.447 -5.637 -3.639 1.00 33.54 H new ATOM 313 N VAL A 22 -0.992 -3.973 0.534 1.00 25.12 N ATOM 314 CA VAL A 22 0.134 -3.459 1.279 1.00 52.33 C ATOM 315 C VAL A 22 0.808 -4.616 1.980 1.00 53.42 C ATOM 316 O VAL A 22 0.268 -5.196 2.927 1.00 55.42 O ATOM 317 CB VAL A 22 -0.269 -2.340 2.285 1.00 60.53 C ATOM 318 CG1 VAL A 22 0.949 -1.814 3.025 1.00 51.33 C ATOM 319 CG2 VAL A 22 -0.964 -1.183 1.575 1.00 62.53 C ATOM 0 H VAL A 22 -1.708 -4.424 1.103 1.00 25.12 H new ATOM 0 HA VAL A 22 0.828 -2.987 0.583 1.00 52.33 H new ATOM 0 HB VAL A 22 -0.962 -2.783 3.000 1.00 60.53 H new ATOM 0 HG11 VAL A 22 0.643 -1.034 3.722 1.00 51.33 H new ATOM 0 HG12 VAL A 22 1.420 -2.628 3.576 1.00 51.33 H new ATOM 0 HG13 VAL A 22 1.660 -1.402 2.309 1.00 51.33 H new ATOM 0 HG21 VAL A 22 -1.233 -0.418 2.303 1.00 62.53 H new ATOM 0 HG22 VAL A 22 -0.291 -0.756 0.832 1.00 62.53 H new ATOM 0 HG23 VAL A 22 -1.865 -1.547 1.082 1.00 62.53 H new ATOM 329 N THR A 23 1.965 -4.974 1.463 1.00 11.13 N ATOM 330 CA THR A 23 2.723 -6.072 1.987 1.00 2.30 C ATOM 331 C THR A 23 3.745 -5.562 2.999 1.00 24.43 C ATOM 332 O THR A 23 4.704 -4.895 2.651 1.00 65.12 O ATOM 333 CB THR A 23 3.426 -6.843 0.855 1.00 4.41 C ATOM 334 OG1 THR A 23 2.538 -7.011 -0.260 1.00 71.11 O ATOM 335 CG2 THR A 23 3.882 -8.204 1.334 1.00 24.14 C ATOM 0 H THR A 23 2.400 -4.507 0.667 1.00 11.13 H new ATOM 0 HA THR A 23 2.039 -6.758 2.488 1.00 2.30 H new ATOM 0 HB THR A 23 4.296 -6.263 0.546 1.00 4.41 H new ATOM 0 HG1 THR A 23 3.049 -6.962 -1.095 1.00 71.11 H new ATOM 0 HG21 THR A 23 4.376 -8.730 0.517 1.00 24.14 H new ATOM 0 HG22 THR A 23 4.580 -8.083 2.162 1.00 24.14 H new ATOM 0 HG23 THR A 23 3.019 -8.780 1.668 1.00 24.14 H new ATOM 343 N ILE A 24 3.520 -5.887 4.247 1.00 45.01 N ATOM 344 CA ILE A 24 4.375 -5.487 5.334 1.00 32.35 C ATOM 345 C ILE A 24 5.414 -6.577 5.568 1.00 24.42 C ATOM 346 O ILE A 24 5.078 -7.700 5.944 1.00 74.22 O ATOM 347 CB ILE A 24 3.542 -5.249 6.621 1.00 41.45 C ATOM 348 CG1 ILE A 24 2.399 -4.253 6.355 1.00 12.33 C ATOM 349 CG2 ILE A 24 4.421 -4.757 7.759 1.00 24.04 C ATOM 350 CD1 ILE A 24 2.846 -2.825 6.073 1.00 52.45 C ATOM 0 H ILE A 24 2.721 -6.449 4.541 1.00 45.01 H new ATOM 0 HA ILE A 24 4.875 -4.552 5.080 1.00 32.35 H new ATOM 0 HB ILE A 24 3.107 -6.203 6.917 1.00 41.45 H new ATOM 0 HG12 ILE A 24 1.816 -4.610 5.506 1.00 12.33 H new ATOM 0 HG13 ILE A 24 1.734 -4.246 7.219 1.00 12.33 H new ATOM 0 HG21 ILE A 24 3.811 -4.599 8.648 1.00 24.04 H new ATOM 0 HG22 ILE A 24 5.189 -5.501 7.974 1.00 24.04 H new ATOM 0 HG23 ILE A 24 4.895 -3.818 7.473 1.00 24.04 H new ATOM 0 HD11 ILE A 24 1.972 -2.198 5.898 1.00 52.45 H new ATOM 0 HD12 ILE A 24 3.402 -2.442 6.929 1.00 52.45 H new ATOM 0 HD13 ILE A 24 3.485 -2.811 5.190 1.00 52.45 H new ATOM 362 N GLU A 25 6.667 -6.241 5.334 1.00 44.24 N ATOM 363 CA GLU A 25 7.757 -7.174 5.518 1.00 10.33 C ATOM 364 C GLU A 25 8.339 -6.983 6.906 1.00 15.12 C ATOM 365 O GLU A 25 8.970 -5.966 7.191 1.00 52.14 O ATOM 366 CB GLU A 25 8.834 -6.932 4.462 1.00 25.53 C ATOM 367 CG GLU A 25 9.969 -7.918 4.513 1.00 55.23 C ATOM 368 CD GLU A 25 9.711 -9.096 3.602 1.00 24.43 C ATOM 369 OE1 GLU A 25 10.006 -9.000 2.395 1.00 22.34 O ATOM 370 OE2 GLU A 25 9.212 -10.121 4.095 1.00 30.32 O ATOM 0 H GLU A 25 6.956 -5.317 5.012 1.00 44.24 H new ATOM 0 HA GLU A 25 7.389 -8.195 5.412 1.00 10.33 H new ATOM 0 HB2 GLU A 25 8.376 -6.971 3.474 1.00 25.53 H new ATOM 0 HB3 GLU A 25 9.234 -5.926 4.588 1.00 25.53 H new ATOM 0 HG2 GLU A 25 10.896 -7.425 4.220 1.00 55.23 H new ATOM 0 HG3 GLU A 25 10.104 -8.269 5.536 1.00 55.23 H new ATOM 377 N VAL A 26 8.089 -7.946 7.773 1.00 43.32 N ATOM 378 CA VAL A 26 8.517 -7.852 9.154 1.00 35.05 C ATOM 379 C VAL A 26 9.600 -8.886 9.441 1.00 3.31 C ATOM 380 O VAL A 26 9.400 -10.079 9.265 1.00 50.54 O ATOM 381 CB VAL A 26 7.319 -8.024 10.130 1.00 62.21 C ATOM 382 CG1 VAL A 26 7.748 -7.894 11.574 1.00 61.24 C ATOM 383 CG2 VAL A 26 6.239 -7.008 9.846 1.00 73.02 C ATOM 0 H VAL A 26 7.590 -8.805 7.543 1.00 43.32 H new ATOM 0 HA VAL A 26 8.932 -6.857 9.314 1.00 35.05 H new ATOM 0 HB VAL A 26 6.928 -9.028 9.969 1.00 62.21 H new ATOM 0 HG11 VAL A 26 6.882 -8.020 12.224 1.00 61.24 H new ATOM 0 HG12 VAL A 26 8.489 -8.660 11.804 1.00 61.24 H new ATOM 0 HG13 VAL A 26 8.183 -6.908 11.737 1.00 61.24 H new ATOM 0 HG21 VAL A 26 5.413 -7.151 10.543 1.00 73.02 H new ATOM 0 HG22 VAL A 26 6.644 -6.003 9.965 1.00 73.02 H new ATOM 0 HG23 VAL A 26 5.879 -7.136 8.825 1.00 73.02 H new ATOM 393 N LYS A 27 10.747 -8.402 9.862 1.00 72.43 N ATOM 394 CA LYS A 27 11.852 -9.252 10.233 1.00 62.45 C ATOM 395 C LYS A 27 12.148 -9.051 11.712 1.00 54.21 C ATOM 396 O LYS A 27 12.306 -7.909 12.163 1.00 5.43 O ATOM 397 CB LYS A 27 13.057 -8.922 9.364 1.00 35.02 C ATOM 398 CG LYS A 27 14.287 -9.759 9.620 1.00 62.51 C ATOM 399 CD LYS A 27 15.415 -9.294 8.732 1.00 4.25 C ATOM 400 CE LYS A 27 16.695 -10.043 9.024 1.00 25.31 C ATOM 401 NZ LYS A 27 17.831 -9.530 8.218 1.00 33.41 N ATOM 0 H LYS A 27 10.939 -7.405 9.956 1.00 72.43 H new ATOM 0 HA LYS A 27 11.605 -10.302 10.072 1.00 62.45 H new ATOM 0 HB2 LYS A 27 12.772 -9.036 8.318 1.00 35.02 H new ATOM 0 HB3 LYS A 27 13.314 -7.873 9.512 1.00 35.02 H new ATOM 0 HG2 LYS A 27 14.580 -9.681 10.667 1.00 62.51 H new ATOM 0 HG3 LYS A 27 14.070 -10.810 9.428 1.00 62.51 H new ATOM 0 HD2 LYS A 27 15.139 -9.436 7.687 1.00 4.25 H new ATOM 0 HD3 LYS A 27 15.576 -8.226 8.876 1.00 4.25 H new ATOM 0 HE2 LYS A 27 16.933 -9.956 10.084 1.00 25.31 H new ATOM 0 HE3 LYS A 27 16.551 -11.103 8.816 1.00 25.31 H new ATOM 0 HZ1 LYS A 27 18.690 -10.069 8.447 1.00 33.41 H new ATOM 0 HZ2 LYS A 27 17.615 -9.636 7.206 1.00 33.41 H new ATOM 0 HZ3 LYS A 27 17.985 -8.525 8.435 1.00 33.41 H new ATOM 415 N ASN A 28 12.179 -10.188 12.437 1.00 13.21 N ATOM 416 CA ASN A 28 12.300 -10.295 13.910 1.00 13.41 C ATOM 417 C ASN A 28 10.968 -9.947 14.578 1.00 21.52 C ATOM 418 O ASN A 28 10.309 -10.796 15.178 1.00 3.32 O ATOM 419 CB ASN A 28 13.442 -9.442 14.511 1.00 61.12 C ATOM 420 CG ASN A 28 14.830 -9.883 14.083 1.00 53.40 C ATOM 421 OD1 ASN A 28 15.420 -10.771 14.684 1.00 22.21 O ATOM 422 ND2 ASN A 28 15.380 -9.229 13.069 1.00 14.44 N ATOM 0 H ASN A 28 12.117 -11.103 11.991 1.00 13.21 H new ATOM 0 HA ASN A 28 12.561 -11.333 14.116 1.00 13.41 H new ATOM 0 HB2 ASN A 28 13.296 -8.401 14.221 1.00 61.12 H new ATOM 0 HB3 ASN A 28 13.378 -9.481 15.598 1.00 61.12 H new ATOM 0 HD21 ASN A 28 16.326 -9.460 12.766 1.00 14.44 H new ATOM 0 HD22 ASN A 28 14.857 -8.494 12.592 1.00 14.44 H new ATOM 429 N GLY A 29 10.604 -8.693 14.439 1.00 42.21 N ATOM 430 CA GLY A 29 9.358 -8.162 14.958 1.00 33.10 C ATOM 431 C GLY A 29 9.174 -6.707 14.549 1.00 42.22 C ATOM 432 O GLY A 29 8.300 -6.011 15.067 1.00 0.24 O ATOM 0 H GLY A 29 11.173 -7.999 13.954 1.00 42.21 H new ATOM 0 HA2 GLY A 29 8.523 -8.756 14.588 1.00 33.10 H new ATOM 0 HA3 GLY A 29 9.349 -8.242 16.045 1.00 33.10 H new ATOM 436 N LYS A 30 10.009 -6.258 13.599 1.00 70.10 N ATOM 437 CA LYS A 30 10.018 -4.873 13.129 1.00 41.43 C ATOM 438 C LYS A 30 9.863 -4.837 11.614 1.00 53.10 C ATOM 439 O LYS A 30 10.346 -5.732 10.930 1.00 4.25 O ATOM 440 CB LYS A 30 11.339 -4.197 13.502 1.00 54.22 C ATOM 441 CG LYS A 30 11.655 -4.240 14.979 1.00 11.44 C ATOM 442 CD LYS A 30 13.025 -3.673 15.270 1.00 64.11 C ATOM 443 CE LYS A 30 13.405 -3.920 16.712 1.00 23.33 C ATOM 444 NZ LYS A 30 14.745 -3.374 17.036 1.00 24.54 N ATOM 0 H LYS A 30 10.698 -6.851 13.136 1.00 70.10 H new ATOM 0 HA LYS A 30 9.189 -4.345 13.600 1.00 41.43 H new ATOM 0 HB2 LYS A 30 12.149 -4.678 12.953 1.00 54.22 H new ATOM 0 HB3 LYS A 30 11.307 -3.157 13.178 1.00 54.22 H new ATOM 0 HG2 LYS A 30 10.902 -3.676 15.530 1.00 11.44 H new ATOM 0 HG3 LYS A 30 11.604 -5.270 15.333 1.00 11.44 H new ATOM 0 HD2 LYS A 30 13.762 -4.131 14.610 1.00 64.11 H new ATOM 0 HD3 LYS A 30 13.033 -2.603 15.064 1.00 64.11 H new ATOM 0 HE2 LYS A 30 12.661 -3.465 17.366 1.00 23.33 H new ATOM 0 HE3 LYS A 30 13.392 -4.992 16.912 1.00 23.33 H new ATOM 0 HZ1 LYS A 30 14.966 -3.565 18.034 1.00 24.54 H new ATOM 0 HZ2 LYS A 30 15.460 -3.826 16.431 1.00 24.54 H new ATOM 0 HZ3 LYS A 30 14.751 -2.347 16.871 1.00 24.54 H new ATOM 458 N ILE A 31 9.202 -3.803 11.095 1.00 3.34 N ATOM 459 CA ILE A 31 9.042 -3.641 9.650 1.00 5.23 C ATOM 460 C ILE A 31 10.375 -3.221 9.021 1.00 10.40 C ATOM 461 O ILE A 31 10.873 -2.131 9.261 1.00 11.45 O ATOM 462 CB ILE A 31 7.964 -2.585 9.288 1.00 23.21 C ATOM 463 CG1 ILE A 31 6.663 -2.836 10.064 1.00 45.13 C ATOM 464 CG2 ILE A 31 7.694 -2.622 7.783 1.00 74.25 C ATOM 465 CD1 ILE A 31 5.647 -1.709 9.974 1.00 33.40 C ATOM 0 H ILE A 31 8.769 -3.066 11.652 1.00 3.34 H new ATOM 0 HA ILE A 31 8.717 -4.604 9.257 1.00 5.23 H new ATOM 0 HB ILE A 31 8.338 -1.600 9.566 1.00 23.21 H new ATOM 0 HG12 ILE A 31 6.204 -3.752 9.692 1.00 45.13 H new ATOM 0 HG13 ILE A 31 6.907 -3.005 11.113 1.00 45.13 H new ATOM 0 HG21 ILE A 31 6.937 -1.880 7.531 1.00 74.25 H new ATOM 0 HG22 ILE A 31 8.614 -2.400 7.243 1.00 74.25 H new ATOM 0 HG23 ILE A 31 7.338 -3.613 7.501 1.00 74.25 H new ATOM 0 HD11 ILE A 31 4.760 -1.972 10.551 1.00 33.40 H new ATOM 0 HD12 ILE A 31 6.083 -0.794 10.374 1.00 33.40 H new ATOM 0 HD13 ILE A 31 5.369 -1.553 8.932 1.00 33.40 H new ATOM 477 N VAL A 32 10.947 -4.089 8.215 1.00 4.11 N ATOM 478 CA VAL A 32 12.242 -3.811 7.615 1.00 45.23 C ATOM 479 C VAL A 32 12.096 -3.366 6.156 1.00 13.44 C ATOM 480 O VAL A 32 13.061 -2.894 5.545 1.00 4.01 O ATOM 481 CB VAL A 32 13.203 -5.024 7.742 1.00 74.45 C ATOM 482 CG1 VAL A 32 13.446 -5.352 9.210 1.00 43.31 C ATOM 483 CG2 VAL A 32 12.672 -6.255 7.017 1.00 65.40 C ATOM 0 H VAL A 32 10.542 -4.989 7.959 1.00 4.11 H new ATOM 0 HA VAL A 32 12.687 -2.985 8.170 1.00 45.23 H new ATOM 0 HB VAL A 32 14.144 -4.742 7.269 1.00 74.45 H new ATOM 0 HG11 VAL A 32 14.121 -6.204 9.285 1.00 43.31 H new ATOM 0 HG12 VAL A 32 13.892 -4.490 9.706 1.00 43.31 H new ATOM 0 HG13 VAL A 32 12.498 -5.596 9.690 1.00 43.31 H new ATOM 0 HG21 VAL A 32 13.377 -7.078 7.133 1.00 65.40 H new ATOM 0 HG22 VAL A 32 11.709 -6.540 7.441 1.00 65.40 H new ATOM 0 HG23 VAL A 32 12.550 -6.029 5.958 1.00 65.40 H new ATOM 493 N SER A 33 10.872 -3.497 5.627 1.00 63.23 N ATOM 494 CA SER A 33 10.543 -3.110 4.259 1.00 13.21 C ATOM 495 C SER A 33 9.026 -3.101 4.087 1.00 60.04 C ATOM 496 O SER A 33 8.314 -3.771 4.829 1.00 41.41 O ATOM 497 CB SER A 33 11.159 -4.105 3.265 1.00 14.00 C ATOM 498 OG SER A 33 11.012 -3.686 1.920 1.00 62.11 O ATOM 0 H SER A 33 10.080 -3.878 6.145 1.00 63.23 H new ATOM 0 HA SER A 33 10.945 -2.116 4.065 1.00 13.21 H new ATOM 0 HB2 SER A 33 12.218 -4.230 3.490 1.00 14.00 H new ATOM 0 HB3 SER A 33 10.689 -5.080 3.392 1.00 14.00 H new ATOM 0 HG SER A 33 10.645 -4.422 1.386 1.00 62.11 H new ATOM 504 N VAL A 34 8.529 -2.334 3.132 1.00 1.52 N ATOM 505 CA VAL A 34 7.139 -2.438 2.739 1.00 64.33 C ATOM 506 C VAL A 34 7.038 -2.531 1.207 1.00 33.52 C ATOM 507 O VAL A 34 7.635 -1.753 0.456 1.00 1.01 O ATOM 508 CB VAL A 34 6.253 -1.303 3.346 1.00 63.24 C ATOM 509 CG1 VAL A 34 6.690 0.067 2.889 1.00 31.00 C ATOM 510 CG2 VAL A 34 4.779 -1.518 3.036 1.00 62.35 C ATOM 0 H VAL A 34 9.066 -1.636 2.618 1.00 1.52 H new ATOM 0 HA VAL A 34 6.731 -3.358 3.158 1.00 64.33 H new ATOM 0 HB VAL A 34 6.388 -1.352 4.426 1.00 63.24 H new ATOM 0 HG11 VAL A 34 6.045 0.823 3.337 1.00 31.00 H new ATOM 0 HG12 VAL A 34 7.721 0.241 3.197 1.00 31.00 H new ATOM 0 HG13 VAL A 34 6.620 0.128 1.803 1.00 31.00 H new ATOM 0 HG21 VAL A 34 4.193 -0.710 3.474 1.00 62.35 H new ATOM 0 HG22 VAL A 34 4.632 -1.529 1.956 1.00 62.35 H new ATOM 0 HG23 VAL A 34 4.454 -2.470 3.456 1.00 62.35 H new ATOM 520 N ASP A 35 6.313 -3.536 0.781 1.00 51.21 N ATOM 521 CA ASP A 35 6.136 -3.873 -0.615 1.00 74.42 C ATOM 522 C ASP A 35 4.788 -3.354 -1.097 1.00 65.40 C ATOM 523 O ASP A 35 3.745 -3.654 -0.510 1.00 2.24 O ATOM 524 CB ASP A 35 6.249 -5.399 -0.782 1.00 4.34 C ATOM 525 CG ASP A 35 5.845 -5.905 -2.155 1.00 22.33 C ATOM 526 OD1 ASP A 35 6.510 -5.545 -3.140 1.00 63.53 O ATOM 527 OD2 ASP A 35 4.865 -6.681 -2.237 1.00 64.15 O ATOM 0 H ASP A 35 5.814 -4.162 1.413 1.00 51.21 H new ATOM 0 HA ASP A 35 6.911 -3.404 -1.221 1.00 74.42 H new ATOM 0 HB2 ASP A 35 7.278 -5.700 -0.584 1.00 4.34 H new ATOM 0 HB3 ASP A 35 5.625 -5.883 -0.030 1.00 4.34 H new ATOM 532 N TRP A 36 4.822 -2.542 -2.135 1.00 21.24 N ATOM 533 CA TRP A 36 3.608 -2.020 -2.720 1.00 11.23 C ATOM 534 C TRP A 36 3.252 -2.773 -3.990 1.00 40.50 C ATOM 535 O TRP A 36 4.008 -2.812 -4.961 1.00 72.30 O ATOM 536 CB TRP A 36 3.666 -0.496 -2.941 1.00 3.30 C ATOM 537 CG TRP A 36 4.995 0.072 -3.370 1.00 63.02 C ATOM 538 CD1 TRP A 36 5.985 0.522 -2.545 1.00 23.11 C ATOM 539 CD2 TRP A 36 5.465 0.295 -4.711 1.00 12.35 C ATOM 540 NE1 TRP A 36 7.034 0.992 -3.286 1.00 32.34 N ATOM 541 CE2 TRP A 36 6.745 0.865 -4.612 1.00 62.32 C ATOM 542 CE3 TRP A 36 4.936 0.064 -5.982 1.00 2.21 C ATOM 543 CZ2 TRP A 36 7.502 1.205 -5.730 1.00 11.41 C ATOM 544 CZ3 TRP A 36 5.687 0.402 -7.089 1.00 64.13 C ATOM 545 CH2 TRP A 36 6.955 0.967 -6.959 1.00 11.32 C ATOM 0 H TRP A 36 5.680 -2.230 -2.590 1.00 21.24 H new ATOM 0 HA TRP A 36 2.805 -2.185 -2.002 1.00 11.23 H new ATOM 0 HB2 TRP A 36 2.923 -0.232 -3.694 1.00 3.30 H new ATOM 0 HB3 TRP A 36 3.369 -0.005 -2.014 1.00 3.30 H new ATOM 0 HD1 TRP A 36 5.946 0.509 -1.466 1.00 23.11 H new ATOM 0 HE1 TRP A 36 7.898 1.378 -2.906 1.00 32.34 H new ATOM 0 HE3 TRP A 36 3.955 -0.372 -6.097 1.00 2.21 H new ATOM 0 HZ2 TRP A 36 8.485 1.641 -5.629 1.00 11.41 H new ATOM 0 HZ3 TRP A 36 5.285 0.225 -8.076 1.00 64.13 H new ATOM 0 HH2 TRP A 36 7.515 1.221 -7.847 1.00 11.32 H new ATOM 556 N ASN A 37 2.099 -3.405 -3.935 1.00 42.23 N ATOM 557 CA ASN A 37 1.595 -4.222 -5.021 1.00 63.15 C ATOM 558 C ASN A 37 0.115 -3.872 -5.231 1.00 71.22 C ATOM 559 O ASN A 37 -0.484 -3.171 -4.409 1.00 62.11 O ATOM 560 CB ASN A 37 1.796 -5.714 -4.651 1.00 14.24 C ATOM 561 CG ASN A 37 1.434 -6.708 -5.749 1.00 60.30 C ATOM 562 OD1 ASN A 37 1.687 -6.483 -6.935 1.00 11.41 O ATOM 563 ND2 ASN A 37 0.789 -7.795 -5.355 1.00 34.32 N ATOM 0 H ASN A 37 1.478 -3.366 -3.127 1.00 42.23 H new ATOM 0 HA ASN A 37 2.128 -4.035 -5.953 1.00 63.15 H new ATOM 0 HB2 ASN A 37 2.839 -5.866 -4.374 1.00 14.24 H new ATOM 0 HB3 ASN A 37 1.196 -5.937 -3.768 1.00 14.24 H new ATOM 0 HD21 ASN A 37 0.482 -8.483 -6.042 1.00 34.32 H new ATOM 0 HD22 ASN A 37 0.599 -7.944 -4.364 1.00 34.32 H new ATOM 570 N ALA A 38 -0.458 -4.319 -6.333 1.00 61.31 N ATOM 571 CA ALA A 38 -1.866 -4.133 -6.611 1.00 2.40 C ATOM 572 C ALA A 38 -2.424 -5.392 -7.285 1.00 72.14 C ATOM 573 O ALA A 38 -1.658 -6.276 -7.647 1.00 33.21 O ATOM 574 CB ALA A 38 -2.047 -2.893 -7.484 1.00 34.31 C ATOM 0 H ALA A 38 0.045 -4.824 -7.063 1.00 61.31 H new ATOM 0 HA ALA A 38 -2.420 -3.977 -5.685 1.00 2.40 H new ATOM 0 HB1 ALA A 38 -3.106 -2.749 -7.696 1.00 34.31 H new ATOM 0 HB2 ALA A 38 -1.660 -2.019 -6.960 1.00 34.31 H new ATOM 0 HB3 ALA A 38 -1.504 -3.025 -8.420 1.00 34.31 H new ATOM 580 N ILE A 39 -3.746 -5.508 -7.403 1.00 2.21 N ATOM 581 CA ILE A 39 -4.356 -6.617 -8.160 1.00 10.02 C ATOM 582 C ILE A 39 -5.277 -6.028 -9.227 1.00 73.44 C ATOM 583 O ILE A 39 -6.080 -5.163 -8.919 1.00 22.35 O ATOM 584 CB ILE A 39 -5.181 -7.595 -7.260 1.00 31.02 C ATOM 585 CG1 ILE A 39 -4.404 -8.003 -5.997 1.00 62.41 C ATOM 586 CG2 ILE A 39 -5.555 -8.847 -8.062 1.00 52.24 C ATOM 587 CD1 ILE A 39 -5.226 -8.793 -4.992 1.00 73.24 C ATOM 0 H ILE A 39 -4.416 -4.858 -6.991 1.00 2.21 H new ATOM 0 HA ILE A 39 -3.545 -7.197 -8.601 1.00 10.02 H new ATOM 0 HB ILE A 39 -6.083 -7.072 -6.943 1.00 31.02 H new ATOM 0 HG12 ILE A 39 -3.540 -8.598 -6.291 1.00 62.41 H new ATOM 0 HG13 ILE A 39 -4.022 -7.105 -5.512 1.00 62.41 H new ATOM 0 HG21 ILE A 39 -6.129 -9.525 -7.431 1.00 52.24 H new ATOM 0 HG22 ILE A 39 -6.154 -8.560 -8.926 1.00 52.24 H new ATOM 0 HG23 ILE A 39 -4.647 -9.347 -8.400 1.00 52.24 H new ATOM 0 HD11 ILE A 39 -4.606 -9.042 -4.131 1.00 73.24 H new ATOM 0 HD12 ILE A 39 -6.076 -8.194 -4.666 1.00 73.24 H new ATOM 0 HD13 ILE A 39 -5.586 -9.710 -5.457 1.00 73.24 H new ATOM 599 N ASN A 40 -5.164 -6.489 -10.470 1.00 32.43 N ATOM 600 CA ASN A 40 -5.949 -5.926 -11.577 1.00 55.43 C ATOM 601 C ASN A 40 -7.419 -6.374 -11.519 1.00 71.42 C ATOM 602 O ASN A 40 -7.708 -7.523 -11.175 1.00 72.11 O ATOM 603 CB ASN A 40 -5.316 -6.303 -12.923 1.00 45.14 C ATOM 604 CG ASN A 40 -5.860 -5.489 -14.088 1.00 74.01 C ATOM 605 OD1 ASN A 40 -6.816 -5.881 -14.738 1.00 30.22 O ATOM 606 ND2 ASN A 40 -5.259 -4.338 -14.348 1.00 2.13 N ATOM 0 H ASN A 40 -4.540 -7.249 -10.741 1.00 32.43 H new ATOM 0 HA ASN A 40 -5.938 -4.841 -11.476 1.00 55.43 H new ATOM 0 HB2 ASN A 40 -4.237 -6.163 -12.862 1.00 45.14 H new ATOM 0 HB3 ASN A 40 -5.489 -7.362 -13.115 1.00 45.14 H new ATOM 0 HD21 ASN A 40 -5.593 -3.749 -15.111 1.00 2.13 H new ATOM 0 HD22 ASN A 40 -4.462 -4.040 -13.785 1.00 2.13 H new ATOM 613 N LYS A 41 -8.323 -5.426 -11.839 1.00 33.35 N ATOM 614 CA LYS A 41 -9.792 -5.593 -11.775 1.00 1.44 C ATOM 615 C LYS A 41 -10.306 -6.719 -12.670 1.00 63.15 C ATOM 616 O LYS A 41 -11.280 -7.390 -12.320 1.00 32.34 O ATOM 617 CB LYS A 41 -10.466 -4.275 -12.178 1.00 1.23 C ATOM 618 CG LYS A 41 -11.962 -4.212 -11.908 1.00 0.41 C ATOM 619 CD LYS A 41 -12.571 -2.929 -12.446 1.00 44.21 C ATOM 620 CE LYS A 41 -14.066 -2.890 -12.205 1.00 41.44 C ATOM 621 NZ LYS A 41 -14.703 -1.713 -12.841 1.00 23.53 N ATOM 0 H LYS A 41 -8.046 -4.498 -12.158 1.00 33.35 H new ATOM 0 HA LYS A 41 -10.041 -5.863 -10.749 1.00 1.44 H new ATOM 0 HB2 LYS A 41 -9.981 -3.458 -11.645 1.00 1.23 H new ATOM 0 HB3 LYS A 41 -10.296 -4.107 -13.242 1.00 1.23 H new ATOM 0 HG2 LYS A 41 -12.452 -5.070 -12.368 1.00 0.41 H new ATOM 0 HG3 LYS A 41 -12.142 -4.280 -10.835 1.00 0.41 H new ATOM 0 HD2 LYS A 41 -12.100 -2.071 -11.967 1.00 44.21 H new ATOM 0 HD3 LYS A 41 -12.370 -2.848 -13.514 1.00 44.21 H new ATOM 0 HE2 LYS A 41 -14.519 -3.802 -12.594 1.00 41.44 H new ATOM 0 HE3 LYS A 41 -14.259 -2.871 -11.132 1.00 41.44 H new ATOM 0 HZ1 LYS A 41 -15.725 -1.726 -12.651 1.00 23.53 H new ATOM 0 HZ2 LYS A 41 -14.290 -0.842 -12.451 1.00 23.53 H new ATOM 0 HZ3 LYS A 41 -14.542 -1.744 -13.868 1.00 23.53 H new ATOM 635 N ASP A 42 -9.635 -6.920 -13.809 1.00 21.51 N ATOM 636 CA ASP A 42 -9.955 -7.997 -14.756 1.00 41.21 C ATOM 637 C ASP A 42 -9.799 -9.387 -14.109 1.00 5.25 C ATOM 638 O ASP A 42 -10.539 -10.322 -14.425 1.00 30.24 O ATOM 639 CB ASP A 42 -9.041 -7.860 -15.986 1.00 62.34 C ATOM 640 CG ASP A 42 -9.297 -8.892 -17.062 1.00 65.44 C ATOM 641 OD1 ASP A 42 -10.296 -8.752 -17.791 1.00 4.11 O ATOM 642 OD2 ASP A 42 -8.500 -9.842 -17.181 1.00 11.05 O ATOM 0 H ASP A 42 -8.850 -6.338 -14.103 1.00 21.51 H new ATOM 0 HA ASP A 42 -10.998 -7.906 -15.059 1.00 41.21 H new ATOM 0 HB2 ASP A 42 -9.171 -6.865 -16.413 1.00 62.34 H new ATOM 0 HB3 ASP A 42 -8.002 -7.936 -15.664 1.00 62.34 H new ATOM 647 N GLY A 43 -8.864 -9.492 -13.167 1.00 32.53 N ATOM 648 CA GLY A 43 -8.598 -10.749 -12.506 1.00 34.24 C ATOM 649 C GLY A 43 -7.488 -11.516 -13.181 1.00 22.53 C ATOM 650 O GLY A 43 -7.445 -12.744 -13.104 1.00 70.12 O ATOM 0 H GLY A 43 -8.282 -8.716 -12.850 1.00 32.53 H new ATOM 0 HA2 GLY A 43 -8.330 -10.563 -11.466 1.00 34.24 H new ATOM 0 HA3 GLY A 43 -9.505 -11.354 -12.498 1.00 34.24 H new ATOM 654 N GLY A 44 -6.601 -10.784 -13.854 1.00 74.11 N ATOM 655 CA GLY A 44 -5.487 -11.399 -14.544 1.00 22.42 C ATOM 656 C GLY A 44 -4.344 -11.718 -13.613 1.00 34.31 C ATOM 657 O GLY A 44 -4.320 -12.774 -12.986 1.00 22.22 O ATOM 0 H GLY A 44 -6.639 -9.768 -13.931 1.00 74.11 H new ATOM 0 HA2 GLY A 44 -5.824 -12.315 -15.030 1.00 22.42 H new ATOM 0 HA3 GLY A 44 -5.136 -10.731 -15.331 1.00 22.42 H new ATOM 661 N ASP A 45 -3.394 -10.810 -13.530 1.00 14.35 N ATOM 662 CA ASP A 45 -2.269 -10.973 -12.625 1.00 20.53 C ATOM 663 C ASP A 45 -2.247 -9.884 -11.570 1.00 64.20 C ATOM 664 O ASP A 45 -3.130 -9.018 -11.521 1.00 30.12 O ATOM 665 CB ASP A 45 -0.944 -10.954 -13.399 1.00 11.34 C ATOM 666 CG ASP A 45 -0.727 -12.180 -14.244 1.00 11.14 C ATOM 667 OD1 ASP A 45 -0.579 -13.276 -13.675 1.00 2.21 O ATOM 668 OD2 ASP A 45 -0.689 -12.052 -15.481 1.00 14.01 O ATOM 0 H ASP A 45 -3.376 -9.950 -14.078 1.00 14.35 H new ATOM 0 HA ASP A 45 -2.388 -11.937 -12.131 1.00 20.53 H new ATOM 0 HB2 ASP A 45 -0.918 -10.072 -14.039 1.00 11.34 H new ATOM 0 HB3 ASP A 45 -0.120 -10.859 -12.692 1.00 11.34 H new ATOM 673 N ASP A 46 -1.219 -9.948 -10.728 1.00 0.31 N ATOM 674 CA ASP A 46 -0.904 -8.877 -9.789 1.00 23.13 C ATOM 675 C ASP A 46 -0.177 -7.764 -10.529 1.00 33.22 C ATOM 676 O ASP A 46 0.171 -7.922 -11.700 1.00 51.11 O ATOM 677 CB ASP A 46 -0.007 -9.394 -8.657 1.00 1.54 C ATOM 678 CG ASP A 46 -0.722 -10.316 -7.702 1.00 73.55 C ATOM 679 OD1 ASP A 46 -0.747 -11.537 -7.955 1.00 22.04 O ATOM 680 OD2 ASP A 46 -1.243 -9.833 -6.681 1.00 61.14 O ATOM 0 H ASP A 46 -0.582 -10.743 -10.678 1.00 0.31 H new ATOM 0 HA ASP A 46 -1.833 -8.504 -9.359 1.00 23.13 H new ATOM 0 HB2 ASP A 46 0.845 -9.919 -9.089 1.00 1.54 H new ATOM 0 HB3 ASP A 46 0.391 -8.545 -8.102 1.00 1.54 H new ATOM 685 N LYS A 47 0.070 -6.654 -9.841 1.00 13.24 N ATOM 686 CA LYS A 47 0.815 -5.531 -10.393 1.00 21.44 C ATOM 687 C LYS A 47 2.232 -5.971 -10.747 1.00 23.25 C ATOM 688 O LYS A 47 2.731 -5.616 -11.814 1.00 2.31 O ATOM 689 CB LYS A 47 0.831 -4.381 -9.378 1.00 3.45 C ATOM 690 CG LYS A 47 1.090 -3.003 -9.963 1.00 41.12 C ATOM 691 CD LYS A 47 2.562 -2.741 -10.225 1.00 72.11 C ATOM 692 CE LYS A 47 2.721 -1.538 -11.104 1.00 63.11 C ATOM 693 NZ LYS A 47 4.136 -1.291 -11.464 1.00 24.14 N ATOM 0 H LYS A 47 -0.243 -6.509 -8.881 1.00 13.24 H new ATOM 0 HA LYS A 47 0.332 -5.181 -11.306 1.00 21.44 H new ATOM 0 HB2 LYS A 47 -0.127 -4.363 -8.859 1.00 3.45 H new ATOM 0 HB3 LYS A 47 1.595 -4.589 -8.629 1.00 3.45 H new ATOM 0 HG2 LYS A 47 0.536 -2.900 -10.896 1.00 41.12 H new ATOM 0 HG3 LYS A 47 0.707 -2.245 -9.279 1.00 41.12 H new ATOM 0 HD2 LYS A 47 3.085 -2.584 -9.282 1.00 72.11 H new ATOM 0 HD3 LYS A 47 3.016 -3.611 -10.700 1.00 72.11 H new ATOM 0 HE2 LYS A 47 2.135 -1.674 -12.013 1.00 63.11 H new ATOM 0 HE3 LYS A 47 2.319 -0.662 -10.594 1.00 63.11 H new ATOM 0 HZ1 LYS A 47 4.212 -0.386 -11.972 1.00 24.14 H new ATOM 0 HZ2 LYS A 47 4.713 -1.252 -10.599 1.00 24.14 H new ATOM 0 HZ3 LYS A 47 4.478 -2.060 -12.074 1.00 24.14 H new ATOM 707 N ASP A 48 2.839 -6.763 -9.848 1.00 21.53 N ATOM 708 CA ASP A 48 4.179 -7.322 -10.045 1.00 11.42 C ATOM 709 C ASP A 48 4.261 -8.153 -11.324 1.00 33.32 C ATOM 710 O ASP A 48 5.063 -7.839 -12.192 1.00 13.30 O ATOM 711 CB ASP A 48 4.582 -8.174 -8.835 1.00 34.22 C ATOM 712 CG ASP A 48 5.963 -8.794 -8.986 1.00 51.03 C ATOM 713 OD1 ASP A 48 6.961 -8.090 -8.777 1.00 33.32 O ATOM 714 OD2 ASP A 48 6.049 -9.990 -9.329 1.00 63.23 O ATOM 0 H ASP A 48 2.410 -7.032 -8.963 1.00 21.53 H new ATOM 0 HA ASP A 48 4.874 -6.488 -10.145 1.00 11.42 H new ATOM 0 HB2 ASP A 48 4.562 -7.555 -7.938 1.00 34.22 H new ATOM 0 HB3 ASP A 48 3.847 -8.966 -8.692 1.00 34.22 H new ATOM 719 N THR A 49 3.387 -9.161 -11.448 1.00 32.20 N ATOM 720 CA THR A 49 3.419 -10.110 -12.571 1.00 53.31 C ATOM 721 C THR A 49 3.077 -9.434 -13.910 1.00 40.23 C ATOM 722 O THR A 49 3.620 -9.802 -14.952 1.00 12.41 O ATOM 723 CB THR A 49 2.434 -11.272 -12.334 1.00 60.11 C ATOM 724 OG1 THR A 49 2.334 -11.556 -10.933 1.00 42.33 O ATOM 725 CG2 THR A 49 2.889 -12.528 -13.065 1.00 64.10 C ATOM 0 H THR A 49 2.641 -9.342 -10.776 1.00 32.20 H new ATOM 0 HA THR A 49 4.438 -10.492 -12.625 1.00 53.31 H new ATOM 0 HB THR A 49 1.460 -10.970 -12.720 1.00 60.11 H new ATOM 0 HG1 THR A 49 1.705 -12.294 -10.793 1.00 42.33 H new ATOM 0 HG21 THR A 49 2.178 -13.333 -12.882 1.00 64.10 H new ATOM 0 HG22 THR A 49 2.942 -12.327 -14.135 1.00 64.10 H new ATOM 0 HG23 THR A 49 3.873 -12.824 -12.702 1.00 64.10 H new ATOM 733 N LEU A 50 2.194 -8.433 -13.865 1.00 54.33 N ATOM 734 CA LEU A 50 1.844 -7.648 -15.045 1.00 70.20 C ATOM 735 C LEU A 50 2.997 -6.751 -15.491 1.00 32.30 C ATOM 736 O LEU A 50 3.167 -6.528 -16.674 1.00 63.13 O ATOM 737 CB LEU A 50 0.575 -6.822 -14.813 1.00 2.44 C ATOM 738 CG LEU A 50 -0.730 -7.625 -14.805 1.00 45.43 C ATOM 739 CD1 LEU A 50 -1.908 -6.726 -14.499 1.00 24.32 C ATOM 740 CD2 LEU A 50 -0.945 -8.327 -16.137 1.00 33.22 C ATOM 0 H LEU A 50 1.707 -8.148 -13.016 1.00 54.33 H new ATOM 0 HA LEU A 50 1.644 -8.357 -15.849 1.00 70.20 H new ATOM 0 HB2 LEU A 50 0.669 -6.300 -13.860 1.00 2.44 H new ATOM 0 HB3 LEU A 50 0.510 -6.059 -15.589 1.00 2.44 H new ATOM 0 HG LEU A 50 -0.651 -8.381 -14.024 1.00 45.43 H new ATOM 0 HD11 LEU A 50 -2.825 -7.315 -14.498 1.00 24.32 H new ATOM 0 HD12 LEU A 50 -1.771 -6.267 -13.520 1.00 24.32 H new ATOM 0 HD13 LEU A 50 -1.978 -5.947 -15.258 1.00 24.32 H new ATOM 0 HD21 LEU A 50 -1.878 -8.890 -16.105 1.00 33.22 H new ATOM 0 HD22 LEU A 50 -0.995 -7.586 -16.935 1.00 33.22 H new ATOM 0 HD23 LEU A 50 -0.116 -9.009 -16.327 1.00 33.22 H new ATOM 752 N SER A 51 3.787 -6.247 -14.545 1.00 62.33 N ATOM 753 CA SER A 51 4.974 -5.454 -14.876 1.00 2.44 C ATOM 754 C SER A 51 6.093 -6.329 -15.457 1.00 55.45 C ATOM 755 O SER A 51 6.904 -5.851 -16.250 1.00 3.22 O ATOM 756 CB SER A 51 5.477 -4.696 -13.646 1.00 12.41 C ATOM 757 OG SER A 51 4.479 -3.816 -13.162 1.00 42.33 O ATOM 0 H SER A 51 3.629 -6.372 -13.545 1.00 62.33 H new ATOM 0 HA SER A 51 4.683 -4.732 -15.639 1.00 2.44 H new ATOM 0 HB2 SER A 51 5.756 -5.403 -12.865 1.00 12.41 H new ATOM 0 HB3 SER A 51 6.374 -4.132 -13.901 1.00 12.41 H new ATOM 0 HG SER A 51 3.803 -4.327 -12.670 1.00 42.33 H new ATOM 763 N ARG A 52 6.119 -7.613 -15.060 1.00 22.33 N ATOM 764 CA ARG A 52 7.111 -8.572 -15.561 1.00 54.43 C ATOM 765 C ARG A 52 6.836 -8.941 -17.024 1.00 53.42 C ATOM 766 O ARG A 52 7.768 -9.096 -17.812 1.00 55.12 O ATOM 767 CB ARG A 52 7.130 -9.859 -14.713 1.00 71.13 C ATOM 768 CG ARG A 52 7.326 -9.683 -13.202 1.00 74.43 C ATOM 769 CD ARG A 52 8.719 -9.205 -12.793 1.00 43.32 C ATOM 770 NE ARG A 52 8.987 -7.808 -13.155 1.00 43.33 N ATOM 771 CZ ARG A 52 8.910 -6.769 -12.311 1.00 31.53 C ATOM 772 NH1 ARG A 52 8.502 -6.927 -11.057 1.00 62.30 N ATOM 773 NH2 ARG A 52 9.231 -5.558 -12.746 1.00 74.44 N ATOM 0 H ARG A 52 5.460 -8.009 -14.390 1.00 22.33 H new ATOM 0 HA ARG A 52 8.083 -8.085 -15.489 1.00 54.43 H new ATOM 0 HB2 ARG A 52 6.191 -10.388 -14.875 1.00 71.13 H new ATOM 0 HB3 ARG A 52 7.927 -10.502 -15.087 1.00 71.13 H new ATOM 0 HG2 ARG A 52 6.589 -8.970 -12.834 1.00 74.43 H new ATOM 0 HG3 ARG A 52 7.123 -10.634 -12.709 1.00 74.43 H new ATOM 0 HD2 ARG A 52 8.833 -9.321 -11.715 1.00 43.32 H new ATOM 0 HD3 ARG A 52 9.467 -9.844 -13.263 1.00 43.32 H new ATOM 0 HE ARG A 52 9.252 -7.613 -14.121 1.00 43.33 H new ATOM 0 HH11 ARG A 52 8.240 -7.853 -10.719 1.00 62.30 H new ATOM 0 HH12 ARG A 52 8.451 -6.122 -10.432 1.00 62.30 H new ATOM 0 HH21 ARG A 52 9.532 -5.426 -13.712 1.00 74.44 H new ATOM 0 HH22 ARG A 52 9.177 -4.758 -12.115 1.00 74.44 H new ATOM 787 N ASN A 53 5.552 -9.078 -17.376 1.00 51.15 N ATOM 788 CA ASN A 53 5.151 -9.437 -18.743 1.00 44.43 C ATOM 789 C ASN A 53 5.066 -8.224 -19.672 1.00 64.20 C ATOM 790 O ASN A 53 5.415 -8.314 -20.853 1.00 12.42 O ATOM 791 CB ASN A 53 3.798 -10.158 -18.750 1.00 53.43 C ATOM 792 CG ASN A 53 3.890 -11.612 -18.344 1.00 74.24 C ATOM 793 OD1 ASN A 53 4.171 -12.469 -19.168 1.00 33.15 O ATOM 794 ND2 ASN A 53 3.619 -11.904 -17.085 1.00 43.24 N ATOM 0 H ASN A 53 4.772 -8.946 -16.733 1.00 51.15 H new ATOM 0 HA ASN A 53 5.930 -10.101 -19.117 1.00 44.43 H new ATOM 0 HB2 ASN A 53 3.116 -9.642 -18.074 1.00 53.43 H new ATOM 0 HB3 ASN A 53 3.366 -10.094 -19.749 1.00 53.43 H new ATOM 0 HD21 ASN A 53 3.640 -12.874 -16.771 1.00 43.24 H new ATOM 0 HD22 ASN A 53 3.389 -11.159 -16.427 1.00 43.24 H new ATOM 801 N GLY A 54 4.609 -7.100 -19.139 1.00 52.44 N ATOM 802 CA GLY A 54 4.350 -5.929 -19.962 1.00 42.13 C ATOM 803 C GLY A 54 2.868 -5.688 -20.185 1.00 34.23 C ATOM 804 O GLY A 54 2.475 -5.066 -21.174 1.00 31.51 O ATOM 0 H GLY A 54 4.411 -6.975 -18.146 1.00 52.44 H new ATOM 0 HA2 GLY A 54 4.790 -5.052 -19.487 1.00 42.13 H new ATOM 0 HA3 GLY A 54 4.844 -6.051 -20.926 1.00 42.13 H new ATOM 808 N GLY A 55 2.053 -6.179 -19.260 1.00 11.33 N ATOM 809 CA GLY A 55 0.619 -6.000 -19.334 1.00 11.30 C ATOM 810 C GLY A 55 0.088 -5.132 -18.211 1.00 43.23 C ATOM 811 O GLY A 55 -1.058 -5.296 -17.792 1.00 45.51 O ATOM 0 H GLY A 55 2.369 -6.707 -18.447 1.00 11.33 H new ATOM 0 HA2 GLY A 55 0.361 -5.549 -20.292 1.00 11.30 H new ATOM 0 HA3 GLY A 55 0.131 -6.974 -19.299 1.00 11.30 H new ATOM 815 N TYR A 56 0.926 -4.215 -17.711 1.00 3.32 N ATOM 816 CA TYR A 56 0.501 -3.237 -16.714 1.00 72.22 C ATOM 817 C TYR A 56 -0.355 -2.169 -17.397 1.00 71.02 C ATOM 818 O TYR A 56 0.154 -1.279 -18.088 1.00 41.03 O ATOM 819 CB TYR A 56 1.725 -2.624 -15.980 1.00 3.40 C ATOM 820 CG TYR A 56 1.422 -1.340 -15.218 1.00 72.05 C ATOM 821 CD1 TYR A 56 0.534 -1.326 -14.152 1.00 11.42 C ATOM 822 CD2 TYR A 56 1.983 -0.130 -15.616 1.00 40.01 C ATOM 823 CE1 TYR A 56 0.221 -0.149 -13.497 1.00 42.23 C ATOM 824 CE2 TYR A 56 1.668 1.049 -14.973 1.00 33.12 C ATOM 825 CZ TYR A 56 0.786 1.036 -13.914 1.00 62.25 C ATOM 826 OH TYR A 56 0.460 2.211 -13.283 1.00 55.01 O ATOM 0 H TYR A 56 1.905 -4.134 -17.985 1.00 3.32 H new ATOM 0 HA TYR A 56 -0.103 -3.728 -15.951 1.00 72.22 H new ATOM 0 HB2 TYR A 56 2.122 -3.361 -15.282 1.00 3.40 H new ATOM 0 HB3 TYR A 56 2.508 -2.423 -16.711 1.00 3.40 H new ATOM 0 HD1 TYR A 56 0.079 -2.251 -13.828 1.00 11.42 H new ATOM 0 HD2 TYR A 56 2.677 -0.114 -16.443 1.00 40.01 H new ATOM 0 HE1 TYR A 56 -0.464 -0.159 -12.662 1.00 42.23 H new ATOM 0 HE2 TYR A 56 2.111 1.979 -15.298 1.00 33.12 H new ATOM 0 HH TYR A 56 0.947 2.952 -13.700 1.00 55.01 H new ATOM 836 N LYS A 57 -1.668 -2.324 -17.272 1.00 72.12 N ATOM 837 CA LYS A 57 -2.610 -1.384 -17.853 1.00 1.52 C ATOM 838 C LYS A 57 -3.684 -1.014 -16.845 1.00 42.41 C ATOM 839 O LYS A 57 -4.241 -1.882 -16.165 1.00 43.02 O ATOM 840 CB LYS A 57 -3.273 -1.968 -19.114 1.00 33.22 C ATOM 841 CG LYS A 57 -2.292 -2.405 -20.201 1.00 4.43 C ATOM 842 CD LYS A 57 -2.992 -2.759 -21.496 1.00 72.01 C ATOM 843 CE LYS A 57 -3.586 -1.534 -22.163 1.00 25.23 C ATOM 844 NZ LYS A 57 -4.274 -1.869 -23.429 1.00 3.11 N ATOM 0 H LYS A 57 -2.103 -3.098 -16.770 1.00 72.12 H new ATOM 0 HA LYS A 57 -2.052 -0.490 -18.132 1.00 1.52 H new ATOM 0 HB2 LYS A 57 -3.881 -2.825 -18.825 1.00 33.22 H new ATOM 0 HB3 LYS A 57 -3.950 -1.223 -19.532 1.00 33.22 H new ATOM 0 HG2 LYS A 57 -1.576 -1.604 -20.385 1.00 4.43 H new ATOM 0 HG3 LYS A 57 -1.724 -3.267 -19.850 1.00 4.43 H new ATOM 0 HD2 LYS A 57 -2.284 -3.236 -22.174 1.00 72.01 H new ATOM 0 HD3 LYS A 57 -3.781 -3.484 -21.297 1.00 72.01 H new ATOM 0 HE2 LYS A 57 -4.292 -1.057 -21.482 1.00 25.23 H new ATOM 0 HE3 LYS A 57 -2.795 -0.810 -22.361 1.00 25.23 H new ATOM 0 HZ1 LYS A 57 -4.665 -1.003 -23.851 1.00 3.11 H new ATOM 0 HZ2 LYS A 57 -3.596 -2.300 -24.089 1.00 3.11 H new ATOM 0 HZ3 LYS A 57 -5.045 -2.540 -23.238 1.00 3.11 H new ATOM 858 N MET A 58 -3.952 0.278 -16.743 1.00 54.45 N ATOM 859 CA MET A 58 -5.092 0.773 -15.977 1.00 42.41 C ATOM 860 C MET A 58 -6.316 0.807 -16.888 1.00 21.22 C ATOM 861 O MET A 58 -6.172 0.802 -18.111 1.00 33.34 O ATOM 862 CB MET A 58 -4.831 2.186 -15.443 1.00 2.34 C ATOM 863 CG MET A 58 -3.616 2.312 -14.535 1.00 3.52 C ATOM 864 SD MET A 58 -3.276 4.022 -14.063 1.00 53.04 S ATOM 865 CE MET A 58 -3.013 4.758 -15.677 1.00 42.14 C ATOM 0 H MET A 58 -3.394 1.009 -17.183 1.00 54.45 H new ATOM 0 HA MET A 58 -5.256 0.109 -15.128 1.00 42.41 H new ATOM 0 HB2 MET A 58 -4.706 2.861 -16.289 1.00 2.34 H new ATOM 0 HB3 MET A 58 -5.712 2.521 -14.896 1.00 2.34 H new ATOM 0 HG2 MET A 58 -3.775 1.716 -13.637 1.00 3.52 H new ATOM 0 HG3 MET A 58 -2.744 1.899 -15.042 1.00 3.52 H new ATOM 0 HE1 MET A 58 -2.326 5.599 -15.586 1.00 42.14 H new ATOM 0 HE2 MET A 58 -2.588 4.014 -16.351 1.00 42.14 H new ATOM 0 HE3 MET A 58 -3.965 5.109 -16.076 1.00 42.14 H new ATOM 875 N VAL A 59 -7.512 0.840 -16.314 1.00 14.44 N ATOM 876 CA VAL A 59 -8.720 0.995 -17.123 1.00 34.21 C ATOM 877 C VAL A 59 -9.089 2.481 -17.254 1.00 22.21 C ATOM 878 O VAL A 59 -9.763 2.884 -18.198 1.00 54.44 O ATOM 879 CB VAL A 59 -9.929 0.151 -16.598 1.00 74.53 C ATOM 880 CG1 VAL A 59 -9.570 -1.331 -16.535 1.00 65.13 C ATOM 881 CG2 VAL A 59 -10.430 0.627 -15.240 1.00 43.20 C ATOM 0 H VAL A 59 -7.674 0.763 -15.310 1.00 14.44 H new ATOM 0 HA VAL A 59 -8.491 0.599 -18.112 1.00 34.21 H new ATOM 0 HB VAL A 59 -10.740 0.294 -17.312 1.00 74.53 H new ATOM 0 HG11 VAL A 59 -10.426 -1.897 -16.167 1.00 65.13 H new ATOM 0 HG12 VAL A 59 -9.303 -1.683 -17.531 1.00 65.13 H new ATOM 0 HG13 VAL A 59 -8.725 -1.472 -15.861 1.00 65.13 H new ATOM 0 HG21 VAL A 59 -11.269 0.007 -14.924 1.00 43.20 H new ATOM 0 HG22 VAL A 59 -9.626 0.550 -14.508 1.00 43.20 H new ATOM 0 HG23 VAL A 59 -10.754 1.665 -15.315 1.00 43.20 H new ATOM 891 N GLU A 60 -8.607 3.294 -16.311 1.00 55.43 N ATOM 892 CA GLU A 60 -8.821 4.737 -16.344 1.00 55.31 C ATOM 893 C GLU A 60 -7.514 5.461 -16.618 1.00 54.32 C ATOM 894 O GLU A 60 -6.556 5.367 -15.842 1.00 71.03 O ATOM 895 CB GLU A 60 -9.426 5.239 -15.029 1.00 63.45 C ATOM 896 CG GLU A 60 -10.840 4.747 -14.761 1.00 12.00 C ATOM 897 CD GLU A 60 -11.830 5.179 -15.813 1.00 75.21 C ATOM 898 OE1 GLU A 60 -12.214 6.363 -15.819 1.00 3.24 O ATOM 899 OE2 GLU A 60 -12.232 4.335 -16.636 1.00 63.42 O ATOM 0 H GLU A 60 -8.063 2.971 -15.511 1.00 55.43 H new ATOM 0 HA GLU A 60 -9.525 4.949 -17.149 1.00 55.31 H new ATOM 0 HB2 GLU A 60 -8.784 4.928 -14.205 1.00 63.45 H new ATOM 0 HB3 GLU A 60 -9.429 6.329 -15.037 1.00 63.45 H new ATOM 0 HG2 GLU A 60 -10.834 3.659 -14.703 1.00 12.00 H new ATOM 0 HG3 GLU A 60 -11.168 5.116 -13.789 1.00 12.00 H new ATOM 906 N TYR A 61 -7.484 6.173 -17.733 1.00 61.15 N ATOM 907 CA TYR A 61 -6.307 6.921 -18.159 1.00 64.11 C ATOM 908 C TYR A 61 -6.493 8.417 -17.923 1.00 71.12 C ATOM 909 O TYR A 61 -5.530 9.186 -17.976 1.00 14.01 O ATOM 910 CB TYR A 61 -6.033 6.678 -19.645 1.00 4.11 C ATOM 911 CG TYR A 61 -5.711 5.246 -19.993 1.00 54.22 C ATOM 912 CD1 TYR A 61 -4.417 4.767 -19.891 1.00 21.34 C ATOM 913 CD2 TYR A 61 -6.704 4.374 -20.427 1.00 25.11 C ATOM 914 CE1 TYR A 61 -4.116 3.463 -20.207 1.00 3.31 C ATOM 915 CE2 TYR A 61 -6.411 3.068 -20.745 1.00 61.25 C ATOM 916 CZ TYR A 61 -5.114 2.618 -20.635 1.00 51.24 C ATOM 917 OH TYR A 61 -4.814 1.316 -20.941 1.00 15.24 O ATOM 0 H TYR A 61 -8.276 6.250 -18.371 1.00 61.15 H new ATOM 0 HA TYR A 61 -5.460 6.573 -17.567 1.00 64.11 H new ATOM 0 HB2 TYR A 61 -6.905 6.991 -20.219 1.00 4.11 H new ATOM 0 HB3 TYR A 61 -5.202 7.311 -19.957 1.00 4.11 H new ATOM 0 HD1 TYR A 61 -3.631 5.428 -19.558 1.00 21.34 H new ATOM 0 HD2 TYR A 61 -7.721 4.728 -20.516 1.00 25.11 H new ATOM 0 HE1 TYR A 61 -3.101 3.104 -20.120 1.00 3.31 H new ATOM 0 HE2 TYR A 61 -7.192 2.401 -21.078 1.00 61.25 H new ATOM 0 HH TYR A 61 -5.126 0.730 -20.220 1.00 15.24 H new ATOM 927 N GLY A 62 -7.733 8.818 -17.652 1.00 13.20 N ATOM 928 CA GLY A 62 -8.052 10.220 -17.471 1.00 75.44 C ATOM 929 C GLY A 62 -7.968 10.671 -16.024 1.00 35.22 C ATOM 930 O GLY A 62 -8.967 11.104 -15.450 1.00 54.15 O ATOM 0 H GLY A 62 -8.529 8.187 -17.554 1.00 13.20 H new ATOM 0 HA2 GLY A 62 -7.370 10.822 -18.072 1.00 75.44 H new ATOM 0 HA3 GLY A 62 -9.058 10.408 -17.846 1.00 75.44 H new ATOM 934 N GLY A 63 -6.774 10.563 -15.443 1.00 53.52 N ATOM 935 CA GLY A 63 -6.533 11.070 -14.108 1.00 73.22 C ATOM 936 C GLY A 63 -6.807 10.052 -13.023 1.00 62.24 C ATOM 937 O GLY A 63 -7.857 10.090 -12.384 1.00 32.22 O ATOM 0 H GLY A 63 -5.963 10.127 -15.882 1.00 53.52 H new ATOM 0 HA2 GLY A 63 -5.497 11.400 -14.034 1.00 73.22 H new ATOM 0 HA3 GLY A 63 -7.159 11.946 -13.941 1.00 73.22 H new ATOM 941 N ALA A 64 -5.865 9.149 -12.807 1.00 25.34 N ATOM 942 CA ALA A 64 -5.973 8.183 -11.728 1.00 21.31 C ATOM 943 C ALA A 64 -4.711 8.223 -10.867 1.00 34.51 C ATOM 944 O ALA A 64 -4.602 9.091 -10.001 1.00 53.01 O ATOM 945 CB ALA A 64 -6.263 6.790 -12.267 1.00 14.11 C ATOM 0 H ALA A 64 -5.016 9.065 -13.366 1.00 25.34 H new ATOM 0 HA ALA A 64 -6.818 8.450 -11.093 1.00 21.31 H new ATOM 0 HB1 ALA A 64 -6.339 6.087 -11.437 1.00 14.11 H new ATOM 0 HB2 ALA A 64 -7.203 6.802 -12.819 1.00 14.11 H new ATOM 0 HB3 ALA A 64 -5.456 6.482 -12.931 1.00 14.11 H new ATOM 951 N GLN A 65 -3.757 7.290 -11.141 1.00 23.14 N ATOM 952 CA GLN A 65 -2.396 7.273 -10.536 1.00 22.42 C ATOM 953 C GLN A 65 -2.439 7.081 -9.010 1.00 63.22 C ATOM 954 O GLN A 65 -1.474 7.384 -8.301 1.00 71.05 O ATOM 955 CB GLN A 65 -1.609 8.562 -10.889 1.00 35.30 C ATOM 956 CG GLN A 65 -1.111 8.683 -12.343 1.00 61.23 C ATOM 957 CD GLN A 65 -2.209 8.854 -13.389 1.00 41.43 C ATOM 958 OE1 GLN A 65 -2.641 9.961 -13.680 1.00 2.31 O ATOM 959 NE2 GLN A 65 -2.673 7.750 -13.952 1.00 60.43 N ATOM 0 H GLN A 65 -3.913 6.522 -11.794 1.00 23.14 H new ATOM 0 HA GLN A 65 -1.877 6.415 -10.964 1.00 22.42 H new ATOM 0 HB2 GLN A 65 -2.245 9.421 -10.673 1.00 35.30 H new ATOM 0 HB3 GLN A 65 -0.747 8.629 -10.226 1.00 35.30 H new ATOM 0 HG2 GLN A 65 -0.432 9.533 -12.409 1.00 61.23 H new ATOM 0 HG3 GLN A 65 -0.532 7.793 -12.588 1.00 61.23 H new ATOM 0 HE21 GLN A 65 -2.290 6.843 -13.686 1.00 60.43 H new ATOM 0 HE22 GLN A 65 -3.413 7.807 -14.652 1.00 60.43 H new ATOM 968 N ALA A 66 -3.541 6.509 -8.533 1.00 23.44 N ATOM 969 CA ALA A 66 -3.882 6.525 -7.121 1.00 54.33 C ATOM 970 C ALA A 66 -3.400 5.288 -6.383 1.00 13.14 C ATOM 971 O ALA A 66 -3.076 5.358 -5.197 1.00 70.23 O ATOM 972 CB ALA A 66 -5.384 6.690 -6.964 1.00 55.22 C ATOM 0 H ALA A 66 -4.220 6.022 -9.118 1.00 23.44 H new ATOM 0 HA ALA A 66 -3.366 7.372 -6.669 1.00 54.33 H new ATOM 0 HB1 ALA A 66 -5.640 6.702 -5.905 1.00 55.22 H new ATOM 0 HB2 ALA A 66 -5.697 7.627 -7.424 1.00 55.22 H new ATOM 0 HB3 ALA A 66 -5.894 5.859 -7.451 1.00 55.22 H new ATOM 978 N GLU A 67 -3.326 4.168 -7.086 1.00 20.22 N ATOM 979 CA GLU A 67 -2.930 2.916 -6.462 1.00 43.12 C ATOM 980 C GLU A 67 -1.427 2.852 -6.279 1.00 62.32 C ATOM 981 O GLU A 67 -0.678 3.665 -6.846 1.00 52.21 O ATOM 982 CB GLU A 67 -3.432 1.727 -7.272 1.00 10.42 C ATOM 983 CG GLU A 67 -4.930 1.744 -7.465 1.00 54.10 C ATOM 984 CD GLU A 67 -5.697 1.724 -6.158 1.00 5.03 C ATOM 985 OE1 GLU A 67 -5.946 0.626 -5.633 1.00 23.42 O ATOM 986 OE2 GLU A 67 -6.065 2.815 -5.670 1.00 62.24 O ATOM 0 H GLU A 67 -3.534 4.101 -8.082 1.00 20.22 H new ATOM 0 HA GLU A 67 -3.389 2.871 -5.474 1.00 43.12 H new ATOM 0 HB2 GLU A 67 -2.944 1.725 -8.247 1.00 10.42 H new ATOM 0 HB3 GLU A 67 -3.145 0.803 -6.770 1.00 10.42 H new ATOM 0 HG2 GLU A 67 -5.208 2.634 -8.029 1.00 54.10 H new ATOM 0 HG3 GLU A 67 -5.223 0.882 -8.065 1.00 54.10 H new ATOM 993 N TRP A 68 -0.989 1.881 -5.493 1.00 4.45 N ATOM 994 CA TRP A 68 0.399 1.807 -5.069 1.00 12.20 C ATOM 995 C TRP A 68 1.232 1.104 -6.120 1.00 14.21 C ATOM 996 O TRP A 68 1.454 -0.106 -6.090 1.00 70.32 O ATOM 997 CB TRP A 68 0.506 1.161 -3.678 1.00 71.45 C ATOM 998 CG TRP A 68 -0.514 1.711 -2.722 1.00 52.42 C ATOM 999 CD1 TRP A 68 -1.396 0.988 -1.981 1.00 44.33 C ATOM 1000 CD2 TRP A 68 -0.807 3.105 -2.457 1.00 4.21 C ATOM 1001 NE1 TRP A 68 -2.221 1.827 -1.280 1.00 4.40 N ATOM 1002 CE2 TRP A 68 -1.885 3.131 -1.563 1.00 74.22 C ATOM 1003 CE3 TRP A 68 -0.266 4.328 -2.897 1.00 23.30 C ATOM 1004 CZ2 TRP A 68 -2.435 4.327 -1.101 1.00 13.14 C ATOM 1005 CZ3 TRP A 68 -0.814 5.505 -2.436 1.00 5.44 C ATOM 1006 CH2 TRP A 68 -1.891 5.497 -1.550 1.00 32.01 C ATOM 0 H TRP A 68 -1.579 1.130 -5.135 1.00 4.45 H new ATOM 0 HA TRP A 68 0.804 2.814 -4.971 1.00 12.20 H new ATOM 0 HB2 TRP A 68 0.374 0.083 -3.768 1.00 71.45 H new ATOM 0 HB3 TRP A 68 1.506 1.328 -3.277 1.00 71.45 H new ATOM 0 HD1 TRP A 68 -1.440 -0.091 -1.950 1.00 44.33 H new ATOM 0 HE1 TRP A 68 -2.966 1.532 -0.649 1.00 4.40 H new ATOM 0 HE3 TRP A 68 0.566 4.343 -3.585 1.00 23.30 H new ATOM 0 HZ2 TRP A 68 -3.265 4.328 -0.410 1.00 13.14 H new ATOM 0 HZ3 TRP A 68 -0.403 6.448 -2.766 1.00 5.44 H new ATOM 0 HH2 TRP A 68 -2.304 6.436 -1.212 1.00 32.01 H new ATOM 1017 N HIS A 69 1.620 1.906 -7.101 1.00 51.32 N ATOM 1018 CA HIS A 69 2.306 1.429 -8.282 1.00 3.51 C ATOM 1019 C HIS A 69 3.344 2.437 -8.781 1.00 30.21 C ATOM 1020 O HIS A 69 4.129 2.125 -9.671 1.00 73.20 O ATOM 1021 CB HIS A 69 1.280 1.072 -9.399 1.00 51.22 C ATOM 1022 CG HIS A 69 0.283 2.142 -9.823 1.00 52.42 C ATOM 1023 ND1 HIS A 69 -1.080 1.924 -9.872 1.00 12.13 N ATOM 1024 CD2 HIS A 69 0.464 3.407 -10.275 1.00 1.04 C ATOM 1025 CE1 HIS A 69 -1.682 3.008 -10.339 1.00 15.11 C ATOM 1026 NE2 HIS A 69 -0.768 3.921 -10.593 1.00 3.23 N ATOM 0 H HIS A 69 1.464 2.914 -7.095 1.00 51.32 H new ATOM 0 HA HIS A 69 2.848 0.523 -8.012 1.00 3.51 H new ATOM 0 HB2 HIS A 69 1.841 0.769 -10.283 1.00 51.22 H new ATOM 0 HB3 HIS A 69 0.714 0.201 -9.067 1.00 51.22 H new ATOM 0 HD1 HIS A 69 -1.550 1.063 -9.592 1.00 12.13 H new ATOM 0 HD2 HIS A 69 1.410 3.920 -10.368 1.00 1.04 H new ATOM 0 HE1 HIS A 69 -2.746 3.123 -10.487 1.00 15.11 H new ATOM 1035 N GLU A 70 3.350 3.637 -8.192 1.00 0.30 N ATOM 1036 CA GLU A 70 4.169 4.733 -8.707 1.00 42.33 C ATOM 1037 C GLU A 70 4.551 5.712 -7.592 1.00 22.02 C ATOM 1038 O GLU A 70 5.723 5.833 -7.236 1.00 21.11 O ATOM 1039 CB GLU A 70 3.394 5.470 -9.805 1.00 21.15 C ATOM 1040 CG GLU A 70 4.240 6.386 -10.663 1.00 13.22 C ATOM 1041 CD GLU A 70 3.402 7.271 -11.560 1.00 64.21 C ATOM 1042 OE1 GLU A 70 2.617 6.739 -12.369 1.00 54.15 O ATOM 1043 OE2 GLU A 70 3.522 8.504 -11.443 1.00 34.53 O ATOM 0 H GLU A 70 2.801 3.871 -7.365 1.00 0.30 H new ATOM 0 HA GLU A 70 5.089 4.316 -9.117 1.00 42.33 H new ATOM 0 HB2 GLU A 70 2.911 4.734 -10.448 1.00 21.15 H new ATOM 0 HB3 GLU A 70 2.601 6.057 -9.341 1.00 21.15 H new ATOM 0 HG2 GLU A 70 4.862 7.009 -10.021 1.00 13.22 H new ATOM 0 HG3 GLU A 70 4.914 5.787 -11.275 1.00 13.22 H new ATOM 1050 N GLN A 71 3.540 6.377 -7.017 1.00 45.33 N ATOM 1051 CA GLN A 71 3.757 7.432 -6.019 1.00 74.23 C ATOM 1052 C GLN A 71 3.978 6.839 -4.613 1.00 51.33 C ATOM 1053 O GLN A 71 4.360 7.540 -3.668 1.00 54.23 O ATOM 1054 CB GLN A 71 2.559 8.394 -6.033 1.00 40.23 C ATOM 1055 CG GLN A 71 2.865 9.779 -5.475 1.00 4.01 C ATOM 1056 CD GLN A 71 3.952 10.498 -6.255 1.00 20.43 C ATOM 1057 OE1 GLN A 71 5.138 10.369 -5.954 1.00 22.45 O ATOM 1058 NE2 GLN A 71 3.557 11.272 -7.249 1.00 21.01 N ATOM 0 H GLN A 71 2.558 6.201 -7.228 1.00 45.33 H new ATOM 0 HA GLN A 71 4.662 7.982 -6.276 1.00 74.23 H new ATOM 0 HB2 GLN A 71 2.202 8.498 -7.058 1.00 40.23 H new ATOM 0 HB3 GLN A 71 1.746 7.953 -5.456 1.00 40.23 H new ATOM 0 HG2 GLN A 71 1.956 10.380 -5.488 1.00 4.01 H new ATOM 0 HG3 GLN A 71 3.172 9.687 -4.433 1.00 4.01 H new ATOM 0 HE21 GLN A 71 2.564 11.353 -7.468 1.00 21.01 H new ATOM 0 HE22 GLN A 71 4.245 11.789 -7.797 1.00 21.01 H new ATOM 1067 N ALA A 72 3.777 5.526 -4.517 1.00 13.03 N ATOM 1068 CA ALA A 72 3.959 4.760 -3.288 1.00 71.32 C ATOM 1069 C ALA A 72 5.427 4.666 -2.865 1.00 4.13 C ATOM 1070 O ALA A 72 5.706 4.377 -1.711 1.00 41.12 O ATOM 1071 CB ALA A 72 3.380 3.377 -3.449 1.00 24.31 C ATOM 0 H ALA A 72 3.477 4.955 -5.307 1.00 13.03 H new ATOM 0 HA ALA A 72 3.430 5.293 -2.498 1.00 71.32 H new ATOM 0 HB1 ALA A 72 3.521 2.814 -2.526 1.00 24.31 H new ATOM 0 HB2 ALA A 72 2.315 3.452 -3.669 1.00 24.31 H new ATOM 0 HB3 ALA A 72 3.885 2.864 -4.268 1.00 24.31 H new ATOM 1077 N GLU A 73 6.347 4.859 -3.825 1.00 33.23 N ATOM 1078 CA GLU A 73 7.797 4.850 -3.581 1.00 24.34 C ATOM 1079 C GLU A 73 8.241 5.943 -2.575 1.00 12.21 C ATOM 1080 O GLU A 73 9.216 5.770 -1.839 1.00 14.14 O ATOM 1081 CB GLU A 73 8.518 5.055 -4.912 1.00 41.22 C ATOM 1082 CG GLU A 73 10.025 4.909 -4.825 1.00 40.52 C ATOM 1083 CD GLU A 73 10.736 5.753 -5.843 1.00 42.12 C ATOM 1084 OE1 GLU A 73 10.999 6.933 -5.549 1.00 1.42 O ATOM 1085 OE2 GLU A 73 11.029 5.250 -6.942 1.00 60.23 O ATOM 0 H GLU A 73 6.102 5.027 -4.801 1.00 33.23 H new ATOM 0 HA GLU A 73 8.056 3.888 -3.139 1.00 24.34 H new ATOM 0 HB2 GLU A 73 8.135 4.336 -5.636 1.00 41.22 H new ATOM 0 HB3 GLU A 73 8.281 6.048 -5.293 1.00 41.22 H new ATOM 0 HG2 GLU A 73 10.358 5.190 -3.826 1.00 40.52 H new ATOM 0 HG3 GLU A 73 10.296 3.863 -4.969 1.00 40.52 H new ATOM 1092 N LYS A 74 7.543 7.077 -2.560 1.00 43.02 N ATOM 1093 CA LYS A 74 7.847 8.148 -1.600 1.00 43.34 C ATOM 1094 C LYS A 74 7.317 7.779 -0.214 1.00 12.35 C ATOM 1095 O LYS A 74 7.945 8.061 0.811 1.00 52.21 O ATOM 1096 CB LYS A 74 7.242 9.489 -2.056 1.00 63.43 C ATOM 1097 CG LYS A 74 7.575 9.874 -3.497 1.00 4.02 C ATOM 1098 CD LYS A 74 9.072 9.849 -3.770 1.00 63.14 C ATOM 1099 CE LYS A 74 9.382 10.155 -5.221 1.00 73.43 C ATOM 1100 NZ LYS A 74 10.804 9.871 -5.544 1.00 21.44 N ATOM 0 H LYS A 74 6.770 7.282 -3.193 1.00 43.02 H new ATOM 0 HA LYS A 74 8.930 8.262 -1.551 1.00 43.34 H new ATOM 0 HB2 LYS A 74 6.159 9.441 -1.947 1.00 63.43 H new ATOM 0 HB3 LYS A 74 7.595 10.278 -1.391 1.00 63.43 H new ATOM 0 HG2 LYS A 74 7.072 9.189 -4.179 1.00 4.02 H new ATOM 0 HG3 LYS A 74 7.187 10.871 -3.703 1.00 4.02 H new ATOM 0 HD2 LYS A 74 9.571 10.577 -3.130 1.00 63.14 H new ATOM 0 HD3 LYS A 74 9.473 8.869 -3.511 1.00 63.14 H new ATOM 0 HE2 LYS A 74 8.735 9.560 -5.866 1.00 73.43 H new ATOM 0 HE3 LYS A 74 9.163 11.202 -5.428 1.00 73.43 H new ATOM 0 HZ1 LYS A 74 11.041 10.290 -6.466 1.00 21.44 H new ATOM 0 HZ2 LYS A 74 11.415 10.281 -4.809 1.00 21.44 H new ATOM 0 HZ3 LYS A 74 10.952 8.842 -5.583 1.00 21.44 H new ATOM 1114 N VAL A 75 6.162 7.125 -0.221 1.00 54.52 N ATOM 1115 CA VAL A 75 5.423 6.758 0.984 1.00 61.35 C ATOM 1116 C VAL A 75 6.079 5.570 1.733 1.00 43.51 C ATOM 1117 O VAL A 75 6.042 5.518 2.967 1.00 50.13 O ATOM 1118 CB VAL A 75 3.950 6.429 0.624 1.00 43.35 C ATOM 1119 CG1 VAL A 75 3.114 6.255 1.867 1.00 60.10 C ATOM 1120 CG2 VAL A 75 3.339 7.512 -0.262 1.00 14.42 C ATOM 0 H VAL A 75 5.702 6.828 -1.082 1.00 54.52 H new ATOM 0 HA VAL A 75 5.447 7.613 1.659 1.00 61.35 H new ATOM 0 HB VAL A 75 3.956 5.490 0.070 1.00 43.35 H new ATOM 0 HG11 VAL A 75 2.086 6.025 1.585 1.00 60.10 H new ATOM 0 HG12 VAL A 75 3.517 5.438 2.465 1.00 60.10 H new ATOM 0 HG13 VAL A 75 3.133 7.176 2.450 1.00 60.10 H new ATOM 0 HG21 VAL A 75 2.307 7.251 -0.496 1.00 14.42 H new ATOM 0 HG22 VAL A 75 3.362 8.467 0.263 1.00 14.42 H new ATOM 0 HG23 VAL A 75 3.911 7.592 -1.186 1.00 14.42 H new ATOM 1130 N GLU A 76 6.674 4.630 0.973 1.00 60.25 N ATOM 1131 CA GLU A 76 7.294 3.417 1.534 1.00 35.21 C ATOM 1132 C GLU A 76 8.446 3.748 2.496 1.00 1.44 C ATOM 1133 O GLU A 76 8.601 3.090 3.522 1.00 42.42 O ATOM 1134 CB GLU A 76 7.797 2.463 0.422 1.00 1.52 C ATOM 1135 CG GLU A 76 8.921 3.034 -0.431 1.00 41.01 C ATOM 1136 CD GLU A 76 9.664 2.011 -1.243 1.00 13.41 C ATOM 1137 OE1 GLU A 76 10.404 1.209 -0.652 1.00 60.44 O ATOM 1138 OE2 GLU A 76 9.534 2.021 -2.475 1.00 52.43 O ATOM 0 H GLU A 76 6.738 4.691 -0.043 1.00 60.25 H new ATOM 0 HA GLU A 76 6.512 2.911 2.100 1.00 35.21 H new ATOM 0 HB2 GLU A 76 8.140 1.536 0.882 1.00 1.52 H new ATOM 0 HB3 GLU A 76 6.959 2.206 -0.226 1.00 1.52 H new ATOM 0 HG2 GLU A 76 8.505 3.783 -1.105 1.00 41.01 H new ATOM 0 HG3 GLU A 76 9.629 3.548 0.219 1.00 41.01 H new ATOM 1145 N ALA A 77 9.227 4.786 2.154 1.00 21.03 N ATOM 1146 CA ALA A 77 10.360 5.233 2.955 1.00 52.03 C ATOM 1147 C ALA A 77 9.906 5.804 4.293 1.00 3.43 C ATOM 1148 O ALA A 77 10.581 5.637 5.308 1.00 51.43 O ATOM 1149 CB ALA A 77 11.155 6.263 2.174 1.00 10.14 C ATOM 0 H ALA A 77 9.082 5.336 1.308 1.00 21.03 H new ATOM 0 HA ALA A 77 10.995 4.373 3.169 1.00 52.03 H new ATOM 0 HB1 ALA A 77 12.003 6.598 2.772 1.00 10.14 H new ATOM 0 HB2 ALA A 77 11.518 5.817 1.248 1.00 10.14 H new ATOM 0 HB3 ALA A 77 10.516 7.115 1.940 1.00 10.14 H new ATOM 1155 N TYR A 78 8.732 6.434 4.277 1.00 73.10 N ATOM 1156 CA TYR A 78 8.140 7.040 5.458 1.00 12.34 C ATOM 1157 C TYR A 78 7.582 5.974 6.418 1.00 35.24 C ATOM 1158 O TYR A 78 7.628 6.150 7.629 1.00 11.11 O ATOM 1159 CB TYR A 78 7.036 8.004 5.029 1.00 24.43 C ATOM 1160 CG TYR A 78 6.583 8.949 6.114 1.00 51.43 C ATOM 1161 CD1 TYR A 78 7.275 10.125 6.360 1.00 3.43 C ATOM 1162 CD2 TYR A 78 5.462 8.671 6.886 1.00 72.13 C ATOM 1163 CE1 TYR A 78 6.865 10.996 7.343 1.00 72.43 C ATOM 1164 CE2 TYR A 78 5.047 9.538 7.870 1.00 23.32 C ATOM 1165 CZ TYR A 78 5.750 10.698 8.094 1.00 23.35 C ATOM 1166 OH TYR A 78 5.340 11.562 9.077 1.00 13.23 O ATOM 0 H TYR A 78 8.165 6.536 3.435 1.00 73.10 H new ATOM 0 HA TYR A 78 8.915 7.587 5.995 1.00 12.34 H new ATOM 0 HB2 TYR A 78 7.389 8.588 4.179 1.00 24.43 H new ATOM 0 HB3 TYR A 78 6.178 7.426 4.685 1.00 24.43 H new ATOM 0 HD1 TYR A 78 8.149 10.361 5.771 1.00 3.43 H new ATOM 0 HD2 TYR A 78 4.908 7.761 6.711 1.00 72.13 H new ATOM 0 HE1 TYR A 78 7.414 11.908 7.524 1.00 72.43 H new ATOM 0 HE2 TYR A 78 4.174 9.309 8.463 1.00 23.32 H new ATOM 0 HH TYR A 78 4.538 11.205 9.512 1.00 13.23 H new ATOM 1176 N LEU A 79 7.061 4.878 5.873 1.00 51.44 N ATOM 1177 CA LEU A 79 6.516 3.791 6.687 1.00 52.01 C ATOM 1178 C LEU A 79 7.647 3.026 7.393 1.00 63.22 C ATOM 1179 O LEU A 79 7.508 2.648 8.561 1.00 31.32 O ATOM 1180 CB LEU A 79 5.659 2.865 5.787 1.00 2.02 C ATOM 1181 CG LEU A 79 4.731 1.818 6.463 1.00 75.11 C ATOM 1182 CD1 LEU A 79 5.464 0.524 6.790 1.00 22.44 C ATOM 1183 CD2 LEU A 79 4.068 2.386 7.713 1.00 42.41 C ATOM 0 H LEU A 79 7.004 4.717 4.867 1.00 51.44 H new ATOM 0 HA LEU A 79 5.875 4.198 7.469 1.00 52.01 H new ATOM 0 HB2 LEU A 79 5.037 3.500 5.157 1.00 2.02 H new ATOM 0 HB3 LEU A 79 6.338 2.327 5.125 1.00 2.02 H new ATOM 0 HG LEU A 79 3.953 1.580 5.738 1.00 75.11 H new ATOM 0 HD11 LEU A 79 4.774 -0.176 7.261 1.00 22.44 H new ATOM 0 HD12 LEU A 79 5.856 0.086 5.872 1.00 22.44 H new ATOM 0 HD13 LEU A 79 6.288 0.735 7.472 1.00 22.44 H new ATOM 0 HD21 LEU A 79 3.426 1.628 8.161 1.00 42.41 H new ATOM 0 HD22 LEU A 79 4.835 2.681 8.429 1.00 42.41 H new ATOM 0 HD23 LEU A 79 3.469 3.256 7.444 1.00 42.41 H new ATOM 1195 N VAL A 80 8.763 2.829 6.688 1.00 13.43 N ATOM 1196 CA VAL A 80 9.920 2.113 7.239 1.00 61.02 C ATOM 1197 C VAL A 80 10.631 2.941 8.335 1.00 60.14 C ATOM 1198 O VAL A 80 11.107 2.379 9.315 1.00 11.33 O ATOM 1199 CB VAL A 80 10.913 1.685 6.107 1.00 14.32 C ATOM 1200 CG1 VAL A 80 12.154 0.981 6.654 1.00 41.15 C ATOM 1201 CG2 VAL A 80 10.216 0.767 5.112 1.00 11.41 C ATOM 0 H VAL A 80 8.892 3.156 5.730 1.00 13.43 H new ATOM 0 HA VAL A 80 9.549 1.204 7.712 1.00 61.02 H new ATOM 0 HB VAL A 80 11.237 2.600 5.612 1.00 14.32 H new ATOM 0 HG11 VAL A 80 12.810 0.705 5.828 1.00 41.15 H new ATOM 0 HG12 VAL A 80 12.684 1.652 7.330 1.00 41.15 H new ATOM 0 HG13 VAL A 80 11.854 0.083 7.195 1.00 41.15 H new ATOM 0 HG21 VAL A 80 10.918 0.477 4.330 1.00 11.41 H new ATOM 0 HG22 VAL A 80 9.859 -0.124 5.628 1.00 11.41 H new ATOM 0 HG23 VAL A 80 9.371 1.290 4.665 1.00 11.41 H new ATOM 1211 N GLU A 81 10.653 4.273 8.206 1.00 21.23 N ATOM 1212 CA GLU A 81 11.271 5.115 9.243 1.00 45.43 C ATOM 1213 C GLU A 81 10.364 5.262 10.480 1.00 35.24 C ATOM 1214 O GLU A 81 10.861 5.420 11.596 1.00 62.44 O ATOM 1215 CB GLU A 81 11.666 6.500 8.698 1.00 33.43 C ATOM 1216 CG GLU A 81 10.501 7.339 8.204 1.00 14.33 C ATOM 1217 CD GLU A 81 10.871 8.765 7.900 1.00 1.31 C ATOM 1218 OE1 GLU A 81 11.379 9.033 6.798 1.00 72.31 O ATOM 1219 OE2 GLU A 81 10.632 9.628 8.760 1.00 72.13 O ATOM 0 H GLU A 81 10.261 4.784 7.415 1.00 21.23 H new ATOM 0 HA GLU A 81 12.182 4.603 9.553 1.00 45.43 H new ATOM 0 HB2 GLU A 81 12.186 7.050 9.482 1.00 33.43 H new ATOM 0 HB3 GLU A 81 12.373 6.366 7.880 1.00 33.43 H new ATOM 0 HG2 GLU A 81 10.089 6.880 7.305 1.00 14.33 H new ATOM 0 HG3 GLU A 81 9.713 7.330 8.957 1.00 14.33 H new ATOM 1226 N LYS A 82 9.040 5.196 10.279 1.00 14.30 N ATOM 1227 CA LYS A 82 8.082 5.388 11.371 1.00 71.15 C ATOM 1228 C LYS A 82 7.855 4.123 12.184 1.00 13.34 C ATOM 1229 O LYS A 82 7.594 4.216 13.387 1.00 62.34 O ATOM 1230 CB LYS A 82 6.733 5.884 10.823 1.00 54.24 C ATOM 1231 CG LYS A 82 6.712 7.373 10.518 1.00 1.35 C ATOM 1232 CD LYS A 82 6.944 8.196 11.770 1.00 11.31 C ATOM 1233 CE LYS A 82 7.085 9.675 11.456 1.00 5.44 C ATOM 1234 NZ LYS A 82 8.278 9.955 10.610 1.00 43.22 N ATOM 0 H LYS A 82 8.612 5.011 9.372 1.00 14.30 H new ATOM 0 HA LYS A 82 8.517 6.136 12.033 1.00 71.15 H new ATOM 0 HB2 LYS A 82 6.494 5.332 9.914 1.00 54.24 H new ATOM 0 HB3 LYS A 82 5.951 5.659 11.548 1.00 54.24 H new ATOM 0 HG2 LYS A 82 7.480 7.606 9.780 1.00 1.35 H new ATOM 0 HG3 LYS A 82 5.753 7.642 10.076 1.00 1.35 H new ATOM 0 HD2 LYS A 82 6.114 8.049 12.460 1.00 11.31 H new ATOM 0 HD3 LYS A 82 7.844 7.844 12.274 1.00 11.31 H new ATOM 0 HE2 LYS A 82 6.188 10.024 10.944 1.00 5.44 H new ATOM 0 HE3 LYS A 82 7.161 10.237 12.387 1.00 5.44 H new ATOM 0 HZ1 LYS A 82 8.841 10.714 11.044 1.00 43.22 H new ATOM 0 HZ2 LYS A 82 8.858 9.095 10.532 1.00 43.22 H new ATOM 0 HZ3 LYS A 82 7.970 10.251 9.662 1.00 43.22 H new ATOM 1248 N GLN A 83 7.939 2.956 11.501 1.00 13.42 N ATOM 1249 CA GLN A 83 7.696 1.614 12.085 1.00 60.20 C ATOM 1250 C GLN A 83 6.235 1.421 12.505 1.00 42.14 C ATOM 1251 O GLN A 83 5.901 0.430 13.152 1.00 4.32 O ATOM 1252 CB GLN A 83 8.606 1.333 13.300 1.00 51.33 C ATOM 1253 CG GLN A 83 10.078 1.183 12.972 1.00 62.51 C ATOM 1254 CD GLN A 83 10.357 -0.050 12.151 1.00 15.03 C ATOM 1255 OE1 GLN A 83 10.601 -1.123 12.685 1.00 53.42 O ATOM 1256 NE2 GLN A 83 10.334 0.097 10.848 1.00 72.33 N ATOM 0 H GLN A 83 8.182 2.920 10.511 1.00 13.42 H new ATOM 0 HA GLN A 83 7.934 0.905 11.292 1.00 60.20 H new ATOM 0 HB2 GLN A 83 8.489 2.144 14.018 1.00 51.33 H new ATOM 0 HB3 GLN A 83 8.263 0.422 13.790 1.00 51.33 H new ATOM 0 HG2 GLN A 83 10.419 2.064 12.428 1.00 62.51 H new ATOM 0 HG3 GLN A 83 10.652 1.138 13.898 1.00 62.51 H new ATOM 0 HE21 GLN A 83 10.126 1.009 10.441 1.00 72.33 H new ATOM 0 HE22 GLN A 83 10.524 -0.701 10.241 1.00 72.33 H new ATOM 1265 N ASP A 84 5.367 2.335 12.083 1.00 1.14 N ATOM 1266 CA ASP A 84 4.015 2.406 12.598 1.00 64.41 C ATOM 1267 C ASP A 84 3.044 2.712 11.459 1.00 10.10 C ATOM 1268 O ASP A 84 3.100 3.789 10.861 1.00 12.45 O ATOM 1269 CB ASP A 84 3.940 3.494 13.681 1.00 22.21 C ATOM 1270 CG ASP A 84 2.756 3.342 14.620 1.00 55.32 C ATOM 1271 OD1 ASP A 84 1.639 3.093 14.150 1.00 1.32 O ATOM 1272 OD2 ASP A 84 2.944 3.485 15.839 1.00 52.34 O ATOM 0 H ASP A 84 5.584 3.040 11.379 1.00 1.14 H new ATOM 0 HA ASP A 84 3.738 1.449 13.040 1.00 64.41 H new ATOM 0 HB2 ASP A 84 4.860 3.476 14.265 1.00 22.21 H new ATOM 0 HB3 ASP A 84 3.887 4.470 13.199 1.00 22.21 H new ATOM 1277 N PRO A 85 2.146 1.754 11.138 1.00 42.21 N ATOM 1278 CA PRO A 85 1.157 1.905 10.059 1.00 12.30 C ATOM 1279 C PRO A 85 -0.110 2.681 10.464 1.00 4.15 C ATOM 1280 O PRO A 85 -1.044 2.781 9.677 1.00 64.45 O ATOM 1281 CB PRO A 85 0.807 0.458 9.738 1.00 24.23 C ATOM 1282 CG PRO A 85 0.932 -0.257 11.034 1.00 61.12 C ATOM 1283 CD PRO A 85 2.053 0.416 11.771 1.00 61.41 C ATOM 0 HA PRO A 85 1.559 2.485 9.229 1.00 12.30 H new ATOM 0 HB2 PRO A 85 -0.203 0.375 9.336 1.00 24.23 H new ATOM 0 HB3 PRO A 85 1.483 0.044 8.990 1.00 24.23 H new ATOM 0 HG2 PRO A 85 0.003 -0.201 11.602 1.00 61.12 H new ATOM 0 HG3 PRO A 85 1.147 -1.314 10.877 1.00 61.12 H new ATOM 0 HD2 PRO A 85 1.840 0.493 12.837 1.00 61.41 H new ATOM 0 HD3 PRO A 85 2.986 -0.139 11.671 1.00 61.41 H new ATOM 1291 N THR A 86 -0.154 3.215 11.683 1.00 21.04 N ATOM 1292 CA THR A 86 -1.299 4.002 12.113 1.00 2.34 C ATOM 1293 C THR A 86 -0.869 5.355 12.709 1.00 75.33 C ATOM 1294 O THR A 86 -1.707 6.232 12.939 1.00 54.14 O ATOM 1295 CB THR A 86 -2.225 3.197 13.083 1.00 43.22 C ATOM 1296 OG1 THR A 86 -3.450 3.899 13.306 1.00 51.54 O ATOM 1297 CG2 THR A 86 -1.580 2.905 14.425 1.00 32.51 C ATOM 0 H THR A 86 0.583 3.117 12.381 1.00 21.04 H new ATOM 0 HA THR A 86 -1.891 4.223 11.225 1.00 2.34 H new ATOM 0 HB THR A 86 -2.413 2.243 12.590 1.00 43.22 H new ATOM 0 HG1 THR A 86 -4.181 3.434 12.849 1.00 51.54 H new ATOM 0 HG21 THR A 86 -2.276 2.344 15.049 1.00 32.51 H new ATOM 0 HG22 THR A 86 -0.675 2.317 14.273 1.00 32.51 H new ATOM 0 HG23 THR A 86 -1.325 3.843 14.918 1.00 32.51 H new ATOM 1305 N ASP A 87 0.437 5.550 12.932 1.00 2.25 N ATOM 1306 CA ASP A 87 0.939 6.849 13.368 1.00 31.13 C ATOM 1307 C ASP A 87 1.196 7.723 12.156 1.00 74.24 C ATOM 1308 O ASP A 87 2.240 7.642 11.500 1.00 4.02 O ATOM 1309 CB ASP A 87 2.200 6.735 14.230 1.00 41.52 C ATOM 1310 CG ASP A 87 2.642 8.077 14.783 1.00 54.11 C ATOM 1311 OD1 ASP A 87 1.962 8.606 15.685 1.00 0.50 O ATOM 1312 OD2 ASP A 87 3.654 8.618 14.304 1.00 74.24 O ATOM 0 H ASP A 87 1.153 4.832 12.818 1.00 2.25 H new ATOM 0 HA ASP A 87 0.176 7.306 13.998 1.00 31.13 H new ATOM 0 HB2 ASP A 87 2.012 6.048 15.055 1.00 41.52 H new ATOM 0 HB3 ASP A 87 3.007 6.306 13.635 1.00 41.52 H new ATOM 1317 N ILE A 88 0.192 8.518 11.851 1.00 1.22 N ATOM 1318 CA ILE A 88 0.205 9.389 10.701 1.00 35.31 C ATOM 1319 C ILE A 88 -0.831 10.498 10.918 1.00 32.12 C ATOM 1320 O ILE A 88 -1.884 10.267 11.524 1.00 23.15 O ATOM 1321 CB ILE A 88 -0.043 8.576 9.379 1.00 44.30 C ATOM 1322 CG1 ILE A 88 0.049 9.472 8.135 1.00 42.23 C ATOM 1323 CG2 ILE A 88 -1.378 7.831 9.409 1.00 60.34 C ATOM 1324 CD1 ILE A 88 1.428 10.040 7.871 1.00 60.14 C ATOM 0 H ILE A 88 -0.664 8.576 12.402 1.00 1.22 H new ATOM 0 HA ILE A 88 1.185 9.852 10.588 1.00 35.31 H new ATOM 0 HB ILE A 88 0.751 7.832 9.317 1.00 44.30 H new ATOM 0 HG12 ILE A 88 -0.266 8.897 7.264 1.00 42.23 H new ATOM 0 HG13 ILE A 88 -0.655 10.297 8.244 1.00 42.23 H new ATOM 0 HG21 ILE A 88 -1.509 7.282 8.476 1.00 60.34 H new ATOM 0 HG22 ILE A 88 -1.386 7.132 10.245 1.00 60.34 H new ATOM 0 HG23 ILE A 88 -2.192 8.547 9.527 1.00 60.34 H new ATOM 0 HD11 ILE A 88 1.401 10.660 6.975 1.00 60.14 H new ATOM 0 HD12 ILE A 88 1.741 10.646 8.721 1.00 60.14 H new ATOM 0 HD13 ILE A 88 2.136 9.224 7.727 1.00 60.14 H new ATOM 1336 N LYS A 89 -0.500 11.702 10.482 1.00 33.12 N ATOM 1337 CA LYS A 89 -1.383 12.837 10.642 1.00 21.44 C ATOM 1338 C LYS A 89 -1.625 13.501 9.288 1.00 0.41 C ATOM 1339 O LYS A 89 -0.701 14.032 8.663 1.00 12.33 O ATOM 1340 CB LYS A 89 -0.786 13.827 11.657 1.00 25.13 C ATOM 1341 CG LYS A 89 -1.702 14.990 12.015 1.00 1.14 C ATOM 1342 CD LYS A 89 -2.981 14.531 12.697 1.00 50.24 C ATOM 1343 CE LYS A 89 -3.906 15.701 13.000 1.00 40.00 C ATOM 1344 NZ LYS A 89 -4.372 16.371 11.758 1.00 24.31 N ATOM 0 H LYS A 89 0.380 11.916 10.012 1.00 33.12 H new ATOM 0 HA LYS A 89 -2.345 12.500 11.028 1.00 21.44 H new ATOM 0 HB2 LYS A 89 -0.533 13.286 12.569 1.00 25.13 H new ATOM 0 HB3 LYS A 89 0.145 14.225 11.254 1.00 25.13 H new ATOM 0 HG2 LYS A 89 -1.170 15.679 12.671 1.00 1.14 H new ATOM 0 HG3 LYS A 89 -1.954 15.543 11.110 1.00 1.14 H new ATOM 0 HD2 LYS A 89 -3.497 13.814 12.058 1.00 50.24 H new ATOM 0 HD3 LYS A 89 -2.734 14.012 13.623 1.00 50.24 H new ATOM 0 HE2 LYS A 89 -4.767 15.347 13.567 1.00 40.00 H new ATOM 0 HE3 LYS A 89 -3.385 16.423 13.629 1.00 40.00 H new ATOM 0 HZ1 LYS A 89 -5.360 16.672 11.876 1.00 24.31 H new ATOM 0 HZ2 LYS A 89 -3.777 17.202 11.568 1.00 24.31 H new ATOM 0 HZ3 LYS A 89 -4.305 15.708 10.960 1.00 24.31 H new ATOM 1358 N TYR A 90 -2.871 13.436 8.832 1.00 65.43 N ATOM 1359 CA TYR A 90 -3.259 14.064 7.577 1.00 53.01 C ATOM 1360 C TYR A 90 -3.925 15.401 7.848 1.00 64.34 C ATOM 1361 O TYR A 90 -4.602 15.579 8.861 1.00 33.42 O ATOM 1362 CB TYR A 90 -4.231 13.193 6.771 1.00 54.00 C ATOM 1363 CG TYR A 90 -3.802 11.751 6.597 1.00 33.23 C ATOM 1364 CD1 TYR A 90 -2.705 11.417 5.809 1.00 72.41 C ATOM 1365 CD2 TYR A 90 -4.503 10.726 7.212 1.00 64.02 C ATOM 1366 CE1 TYR A 90 -2.324 10.099 5.641 1.00 2.33 C ATOM 1367 CE2 TYR A 90 -4.126 9.410 7.052 1.00 13.53 C ATOM 1368 CZ TYR A 90 -3.041 9.103 6.267 1.00 20.42 C ATOM 1369 OH TYR A 90 -2.670 7.792 6.111 1.00 65.44 O ATOM 0 H TYR A 90 -3.630 12.954 9.314 1.00 65.43 H new ATOM 0 HA TYR A 90 -2.348 14.198 6.994 1.00 53.01 H new ATOM 0 HB2 TYR A 90 -5.204 13.210 7.262 1.00 54.00 H new ATOM 0 HB3 TYR A 90 -4.363 13.639 5.785 1.00 54.00 H new ATOM 0 HD1 TYR A 90 -2.143 12.199 5.321 1.00 72.41 H new ATOM 0 HD2 TYR A 90 -5.359 10.962 7.827 1.00 64.02 H new ATOM 0 HE1 TYR A 90 -1.472 9.852 5.025 1.00 2.33 H new ATOM 0 HE2 TYR A 90 -4.681 8.623 7.542 1.00 13.53 H new ATOM 0 HH TYR A 90 -1.692 7.730 6.080 1.00 65.44 H new ATOM 1379 N LYS A 91 -3.722 16.333 6.936 1.00 52.12 N ATOM 1380 CA LYS A 91 -4.381 17.629 6.989 1.00 45.10 C ATOM 1381 C LYS A 91 -5.068 17.883 5.650 1.00 61.21 C ATOM 1382 O LYS A 91 -4.551 18.593 4.787 1.00 41.30 O ATOM 1383 CB LYS A 91 -3.373 18.764 7.341 1.00 43.22 C ATOM 1384 CG LYS A 91 -1.872 18.441 7.131 1.00 2.01 C ATOM 1385 CD LYS A 91 -1.447 18.326 5.661 1.00 5.54 C ATOM 1386 CE LYS A 91 -1.481 19.666 4.938 1.00 13.51 C ATOM 1387 NZ LYS A 91 -0.496 20.629 5.486 1.00 52.32 N ATOM 0 H LYS A 91 -3.097 16.216 6.138 1.00 52.12 H new ATOM 0 HA LYS A 91 -5.129 17.624 7.781 1.00 45.10 H new ATOM 0 HB2 LYS A 91 -3.621 19.640 6.741 1.00 43.22 H new ATOM 0 HB3 LYS A 91 -3.520 19.040 8.385 1.00 43.22 H new ATOM 0 HG2 LYS A 91 -1.276 19.218 7.609 1.00 2.01 H new ATOM 0 HG3 LYS A 91 -1.640 17.504 7.638 1.00 2.01 H new ATOM 0 HD2 LYS A 91 -0.439 17.914 5.609 1.00 5.54 H new ATOM 0 HD3 LYS A 91 -2.105 17.624 5.150 1.00 5.54 H new ATOM 0 HE2 LYS A 91 -1.281 19.509 3.878 1.00 13.51 H new ATOM 0 HE3 LYS A 91 -2.482 20.091 5.014 1.00 13.51 H new ATOM 0 HZ1 LYS A 91 -0.285 21.354 4.771 1.00 52.32 H new ATOM 0 HZ2 LYS A 91 -0.890 21.084 6.334 1.00 52.32 H new ATOM 0 HZ3 LYS A 91 0.379 20.126 5.738 1.00 52.32 H new ATOM 1401 N ASP A 92 -6.247 17.286 5.483 1.00 35.31 N ATOM 1402 CA ASP A 92 -6.895 17.213 4.180 1.00 55.12 C ATOM 1403 C ASP A 92 -8.355 16.786 4.368 1.00 42.21 C ATOM 1404 O ASP A 92 -8.790 16.542 5.493 1.00 31.34 O ATOM 1405 CB ASP A 92 -6.121 16.209 3.313 1.00 33.44 C ATOM 1406 CG ASP A 92 -6.504 16.194 1.847 1.00 23.40 C ATOM 1407 OD1 ASP A 92 -6.434 17.242 1.189 1.00 63.21 O ATOM 1408 OD2 ASP A 92 -6.857 15.107 1.351 1.00 51.30 O ATOM 0 H ASP A 92 -6.772 16.845 6.238 1.00 35.31 H new ATOM 0 HA ASP A 92 -6.891 18.183 3.683 1.00 55.12 H new ATOM 0 HB2 ASP A 92 -5.057 16.430 3.392 1.00 33.44 H new ATOM 0 HB3 ASP A 92 -6.270 15.210 3.721 1.00 33.44 H new ATOM 1413 N ASN A 93 -9.090 16.695 3.266 1.00 72.32 N ATOM 1414 CA ASN A 93 -10.425 16.117 3.248 1.00 4.12 C ATOM 1415 C ASN A 93 -10.355 14.578 3.268 1.00 61.42 C ATOM 1416 O ASN A 93 -11.241 13.927 3.813 1.00 3.35 O ATOM 1417 CB ASN A 93 -11.169 16.615 1.993 1.00 62.23 C ATOM 1418 CG ASN A 93 -12.611 16.140 1.903 1.00 11.22 C ATOM 1419 OD1 ASN A 93 -12.909 15.108 1.299 1.00 3.12 O ATOM 1420 ND2 ASN A 93 -13.513 16.895 2.505 1.00 55.43 N ATOM 0 H ASN A 93 -8.772 17.023 2.354 1.00 72.32 H new ATOM 0 HA ASN A 93 -10.968 16.432 4.139 1.00 4.12 H new ATOM 0 HB2 ASN A 93 -11.154 17.705 1.982 1.00 62.23 H new ATOM 0 HB3 ASN A 93 -10.630 16.280 1.106 1.00 62.23 H new ATOM 0 HD21 ASN A 93 -14.498 16.631 2.480 1.00 55.43 H new ATOM 0 HD22 ASN A 93 -13.224 17.742 2.994 1.00 55.43 H new ATOM 1427 N ASP A 94 -9.269 14.004 2.732 1.00 30.22 N ATOM 1428 CA ASP A 94 -9.177 12.558 2.547 1.00 75.51 C ATOM 1429 C ASP A 94 -7.971 12.004 3.290 1.00 44.45 C ATOM 1430 O ASP A 94 -8.111 11.095 4.107 1.00 64.43 O ATOM 1431 CB ASP A 94 -9.054 12.198 1.057 1.00 1.43 C ATOM 1432 CG ASP A 94 -9.375 10.742 0.764 1.00 72.05 C ATOM 1433 OD1 ASP A 94 -8.609 9.846 1.177 1.00 24.23 O ATOM 1434 OD2 ASP A 94 -10.385 10.488 0.087 1.00 22.30 O ATOM 0 H ASP A 94 -8.447 14.521 2.421 1.00 30.22 H new ATOM 0 HA ASP A 94 -10.090 12.116 2.946 1.00 75.51 H new ATOM 0 HB2 ASP A 94 -9.725 12.834 0.480 1.00 1.43 H new ATOM 0 HB3 ASP A 94 -8.040 12.415 0.720 1.00 1.43 H new ATOM 1439 N GLY A 95 -6.793 12.568 3.018 1.00 74.34 N ATOM 1440 CA GLY A 95 -5.576 11.988 3.537 1.00 34.44 C ATOM 1441 C GLY A 95 -4.308 12.461 2.852 1.00 54.14 C ATOM 1442 O GLY A 95 -3.436 11.660 2.563 1.00 54.15 O ATOM 0 H GLY A 95 -6.667 13.408 2.453 1.00 74.34 H new ATOM 0 HA2 GLY A 95 -5.505 12.216 4.601 1.00 34.44 H new ATOM 0 HA3 GLY A 95 -5.639 10.904 3.447 1.00 34.44 H new ATOM 1446 N HIS A 96 -4.183 13.756 2.617 1.00 21.20 N ATOM 1447 CA HIS A 96 -2.934 14.323 2.114 1.00 2.24 C ATOM 1448 C HIS A 96 -2.060 14.753 3.270 1.00 3.11 C ATOM 1449 O HIS A 96 -2.552 15.150 4.327 1.00 41.12 O ATOM 1450 CB HIS A 96 -3.153 15.520 1.179 1.00 60.10 C ATOM 1451 CG HIS A 96 -3.507 15.147 -0.224 1.00 65.23 C ATOM 1452 ND1 HIS A 96 -4.708 15.462 -0.812 1.00 11.42 N ATOM 1453 CD2 HIS A 96 -2.796 14.495 -1.163 1.00 43.44 C ATOM 1454 CE1 HIS A 96 -4.722 15.027 -2.050 1.00 3.41 C ATOM 1455 NE2 HIS A 96 -3.576 14.437 -2.292 1.00 33.20 N ATOM 0 H HIS A 96 -4.927 14.437 2.765 1.00 21.20 H new ATOM 0 HA HIS A 96 -2.448 13.538 1.534 1.00 2.24 H new ATOM 0 HB2 HIS A 96 -3.947 16.145 1.588 1.00 60.10 H new ATOM 0 HB3 HIS A 96 -2.247 16.125 1.164 1.00 60.10 H new ATOM 0 HD2 HIS A 96 -1.800 14.093 -1.050 1.00 43.44 H new ATOM 0 HE1 HIS A 96 -5.537 15.136 -2.750 1.00 3.41 H new ATOM 0 HE2 HIS A 96 -3.307 14.005 -3.176 1.00 33.20 H new ATOM 1464 N THR A 97 -0.768 14.674 3.047 1.00 1.10 N ATOM 1465 CA THR A 97 0.215 14.982 4.059 1.00 13.32 C ATOM 1466 C THR A 97 1.403 15.703 3.416 1.00 30.24 C ATOM 1467 O THR A 97 1.753 15.443 2.257 1.00 41.13 O ATOM 1468 CB THR A 97 0.655 13.685 4.819 1.00 52.51 C ATOM 1469 OG1 THR A 97 1.697 13.964 5.757 1.00 51.11 O ATOM 1470 CG2 THR A 97 1.110 12.579 3.867 1.00 34.13 C ATOM 0 H THR A 97 -0.368 14.392 2.152 1.00 1.10 H new ATOM 0 HA THR A 97 -0.224 15.648 4.801 1.00 13.32 H new ATOM 0 HB THR A 97 -0.227 13.331 5.353 1.00 52.51 H new ATOM 0 HG1 THR A 97 1.951 13.138 6.219 1.00 51.11 H new ATOM 0 HG21 THR A 97 1.405 11.702 4.443 1.00 34.13 H new ATOM 0 HG22 THR A 97 0.291 12.316 3.198 1.00 34.13 H new ATOM 0 HG23 THR A 97 1.959 12.930 3.281 1.00 34.13 H new ATOM 1478 N ASP A 98 1.988 16.631 4.159 1.00 13.43 N ATOM 1479 CA ASP A 98 3.150 17.384 3.693 1.00 21.13 C ATOM 1480 C ASP A 98 4.428 16.803 4.299 1.00 74.20 C ATOM 1481 O ASP A 98 5.540 17.205 3.943 1.00 71.34 O ATOM 1482 CB ASP A 98 3.015 18.882 4.029 1.00 54.43 C ATOM 1483 CG ASP A 98 2.970 19.187 5.522 1.00 15.11 C ATOM 1484 OD1 ASP A 98 1.876 19.136 6.108 1.00 61.33 O ATOM 1485 OD2 ASP A 98 4.024 19.504 6.100 1.00 40.43 O ATOM 0 H ASP A 98 1.675 16.884 5.096 1.00 13.43 H new ATOM 0 HA ASP A 98 3.205 17.295 2.608 1.00 21.13 H new ATOM 0 HB2 ASP A 98 3.853 19.419 3.585 1.00 54.43 H new ATOM 0 HB3 ASP A 98 2.107 19.267 3.564 1.00 54.43 H new ATOM 1490 N ALA A 99 4.241 15.839 5.215 1.00 71.45 N ATOM 1491 CA ALA A 99 5.338 15.128 5.849 1.00 14.54 C ATOM 1492 C ALA A 99 6.006 14.199 4.847 1.00 63.53 C ATOM 1493 O ALA A 99 7.231 14.126 4.784 1.00 33.11 O ATOM 1494 CB ALA A 99 4.832 14.355 7.051 1.00 24.53 C ATOM 0 H ALA A 99 3.319 15.538 5.530 1.00 71.45 H new ATOM 0 HA ALA A 99 6.079 15.849 6.194 1.00 14.54 H new ATOM 0 HB1 ALA A 99 5.662 13.826 7.519 1.00 24.53 H new ATOM 0 HB2 ALA A 99 4.392 15.047 7.769 1.00 24.53 H new ATOM 0 HB3 ALA A 99 4.078 13.636 6.730 1.00 24.53 H new ATOM 1500 N ILE A 100 5.184 13.502 4.060 1.00 24.30 N ATOM 1501 CA ILE A 100 5.667 12.761 2.904 1.00 63.44 C ATOM 1502 C ILE A 100 5.729 13.713 1.714 1.00 63.45 C ATOM 1503 O ILE A 100 4.709 14.012 1.085 1.00 74.12 O ATOM 1504 CB ILE A 100 4.763 11.548 2.562 1.00 25.33 C ATOM 1505 CG1 ILE A 100 4.500 10.721 3.825 1.00 65.15 C ATOM 1506 CG2 ILE A 100 5.424 10.684 1.485 1.00 72.10 C ATOM 1507 CD1 ILE A 100 3.491 9.611 3.652 1.00 5.11 C ATOM 0 H ILE A 100 4.177 13.438 4.207 1.00 24.30 H new ATOM 0 HA ILE A 100 6.655 12.364 3.137 1.00 63.44 H new ATOM 0 HB ILE A 100 3.811 11.912 2.177 1.00 25.33 H new ATOM 0 HG12 ILE A 100 5.442 10.288 4.163 1.00 65.15 H new ATOM 0 HG13 ILE A 100 4.154 11.388 4.615 1.00 65.15 H new ATOM 0 HG21 ILE A 100 4.780 9.836 1.253 1.00 72.10 H new ATOM 0 HG22 ILE A 100 5.578 11.279 0.585 1.00 72.10 H new ATOM 0 HG23 ILE A 100 6.385 10.321 1.849 1.00 72.10 H new ATOM 0 HD11 ILE A 100 3.369 9.080 4.596 1.00 5.11 H new ATOM 0 HD12 ILE A 100 2.534 10.034 3.347 1.00 5.11 H new ATOM 0 HD13 ILE A 100 3.841 8.917 2.888 1.00 5.11 H new ATOM 1519 N SER A 101 6.927 14.233 1.474 1.00 51.53 N ATOM 1520 CA SER A 101 7.167 15.195 0.410 1.00 23.23 C ATOM 1521 C SER A 101 7.139 14.526 -0.960 1.00 73.00 C ATOM 1522 O SER A 101 7.987 13.689 -1.282 1.00 11.22 O ATOM 1523 CB SER A 101 8.507 15.891 0.649 1.00 61.31 C ATOM 1524 OG SER A 101 8.547 16.466 1.947 1.00 74.35 O ATOM 0 H SER A 101 7.760 13.998 2.014 1.00 51.53 H new ATOM 0 HA SER A 101 6.369 15.937 0.422 1.00 23.23 H new ATOM 0 HB2 SER A 101 9.320 15.174 0.538 1.00 61.31 H new ATOM 0 HB3 SER A 101 8.660 16.665 -0.103 1.00 61.31 H new ATOM 0 HG SER A 101 9.412 16.906 2.084 1.00 74.35 H new ATOM 1530 N GLY A 102 6.123 14.876 -1.737 1.00 51.12 N ATOM 1531 CA GLY A 102 5.985 14.345 -3.076 1.00 24.45 C ATOM 1532 C GLY A 102 4.736 13.505 -3.250 1.00 33.33 C ATOM 1533 O GLY A 102 4.433 13.084 -4.361 1.00 4.03 O ATOM 0 H GLY A 102 5.386 15.524 -1.459 1.00 51.12 H new ATOM 0 HA2 GLY A 102 5.965 15.170 -3.788 1.00 24.45 H new ATOM 0 HA3 GLY A 102 6.860 13.740 -3.314 1.00 24.45 H new ATOM 1537 N ALA A 103 4.012 13.261 -2.154 1.00 34.13 N ATOM 1538 CA ALA A 103 2.781 12.479 -2.200 1.00 51.24 C ATOM 1539 C ALA A 103 1.606 13.331 -2.679 1.00 4.02 C ATOM 1540 O ALA A 103 0.971 14.056 -1.904 1.00 72.35 O ATOM 1541 CB ALA A 103 2.493 11.862 -0.842 1.00 42.13 C ATOM 0 H ALA A 103 4.261 13.596 -1.223 1.00 34.13 H new ATOM 0 HA ALA A 103 2.916 11.671 -2.919 1.00 51.24 H new ATOM 0 HB1 ALA A 103 1.571 11.282 -0.894 1.00 42.13 H new ATOM 0 HB2 ALA A 103 3.317 11.208 -0.557 1.00 42.13 H new ATOM 0 HB3 ALA A 103 2.383 12.652 -0.099 1.00 42.13 H new ATOM 1547 N THR A 104 1.349 13.250 -3.981 1.00 54.41 N ATOM 1548 CA THR A 104 0.308 14.042 -4.629 1.00 72.22 C ATOM 1549 C THR A 104 -1.058 13.353 -4.514 1.00 43.42 C ATOM 1550 O THR A 104 -2.100 13.981 -4.692 1.00 33.01 O ATOM 1551 CB THR A 104 0.639 14.264 -6.120 1.00 23.01 C ATOM 1552 OG1 THR A 104 2.060 14.348 -6.294 1.00 34.35 O ATOM 1553 CG2 THR A 104 0.002 15.546 -6.638 1.00 44.31 C ATOM 0 H THR A 104 1.856 12.634 -4.617 1.00 54.41 H new ATOM 0 HA THR A 104 0.266 15.005 -4.121 1.00 72.22 H new ATOM 0 HB THR A 104 0.240 13.420 -6.683 1.00 23.01 H new ATOM 0 HG1 THR A 104 2.266 14.487 -7.242 1.00 34.35 H new ATOM 0 HG21 THR A 104 0.252 15.677 -7.691 1.00 44.31 H new ATOM 0 HG22 THR A 104 -1.081 15.485 -6.527 1.00 44.31 H new ATOM 0 HG23 THR A 104 0.378 16.395 -6.068 1.00 44.31 H new ATOM 1561 N ILE A 105 -1.035 12.059 -4.226 1.00 42.32 N ATOM 1562 CA ILE A 105 -2.242 11.288 -4.004 1.00 11.30 C ATOM 1563 C ILE A 105 -2.427 11.081 -2.489 1.00 11.42 C ATOM 1564 O ILE A 105 -1.449 11.107 -1.737 1.00 1.14 O ATOM 1565 CB ILE A 105 -2.167 9.954 -4.828 1.00 63.25 C ATOM 1566 CG1 ILE A 105 -3.533 9.219 -4.904 1.00 52.23 C ATOM 1567 CG2 ILE A 105 -1.041 9.033 -4.333 1.00 31.21 C ATOM 1568 CD1 ILE A 105 -3.821 8.193 -3.817 1.00 41.43 C ATOM 0 H ILE A 105 -0.175 11.517 -4.140 1.00 42.32 H new ATOM 0 HA ILE A 105 -3.128 11.815 -4.360 1.00 11.30 H new ATOM 0 HB ILE A 105 -1.918 10.239 -5.850 1.00 63.25 H new ATOM 0 HG12 ILE A 105 -4.324 9.969 -4.882 1.00 52.23 H new ATOM 0 HG13 ILE A 105 -3.596 8.718 -5.870 1.00 52.23 H new ATOM 0 HG21 ILE A 105 -1.026 8.122 -4.932 1.00 31.21 H new ATOM 0 HG22 ILE A 105 -0.084 9.545 -4.428 1.00 31.21 H new ATOM 0 HG23 ILE A 105 -1.213 8.777 -3.288 1.00 31.21 H new ATOM 0 HD11 ILE A 105 -4.804 7.753 -3.984 1.00 41.43 H new ATOM 0 HD12 ILE A 105 -3.063 7.410 -3.846 1.00 41.43 H new ATOM 0 HD13 ILE A 105 -3.802 8.681 -2.842 1.00 41.43 H new ATOM 1580 N LYS A 106 -3.686 10.960 -2.047 1.00 23.03 N ATOM 1581 CA LYS A 106 -4.009 10.733 -0.638 1.00 32.34 C ATOM 1582 C LYS A 106 -3.493 9.374 -0.112 1.00 14.11 C ATOM 1583 O LYS A 106 -3.835 8.298 -0.595 1.00 24.41 O ATOM 1584 CB LYS A 106 -5.518 10.937 -0.368 1.00 44.35 C ATOM 1585 CG LYS A 106 -6.464 10.661 -1.542 1.00 11.53 C ATOM 1586 CD LYS A 106 -6.698 9.178 -1.759 1.00 14.13 C ATOM 1587 CE LYS A 106 -7.724 8.904 -2.838 1.00 23.11 C ATOM 1588 NZ LYS A 106 -9.081 9.379 -2.453 1.00 64.24 N ATOM 0 H LYS A 106 -4.503 11.017 -2.655 1.00 23.03 H new ATOM 0 HA LYS A 106 -3.471 11.489 -0.066 1.00 32.34 H new ATOM 0 HB2 LYS A 106 -5.807 10.292 0.462 1.00 44.35 H new ATOM 0 HB3 LYS A 106 -5.671 11.966 -0.041 1.00 44.35 H new ATOM 0 HG2 LYS A 106 -7.419 11.154 -1.359 1.00 11.53 H new ATOM 0 HG3 LYS A 106 -6.049 11.097 -2.450 1.00 11.53 H new ATOM 0 HD2 LYS A 106 -5.756 8.701 -2.029 1.00 14.13 H new ATOM 0 HD3 LYS A 106 -7.029 8.725 -0.824 1.00 14.13 H new ATOM 0 HE2 LYS A 106 -7.417 9.394 -3.762 1.00 23.11 H new ATOM 0 HE3 LYS A 106 -7.759 7.834 -3.041 1.00 23.11 H new ATOM 0 HZ1 LYS A 106 -9.799 8.856 -2.994 1.00 64.24 H new ATOM 0 HZ2 LYS A 106 -9.229 9.219 -1.436 1.00 64.24 H new ATOM 0 HZ3 LYS A 106 -9.165 10.395 -2.659 1.00 64.24 H new ATOM 1602 N VAL A 107 -2.689 9.479 0.932 1.00 20.30 N ATOM 1603 CA VAL A 107 -1.910 8.378 1.502 1.00 73.02 C ATOM 1604 C VAL A 107 -2.740 7.557 2.523 1.00 72.52 C ATOM 1605 O VAL A 107 -2.301 6.511 3.022 1.00 13.44 O ATOM 1606 CB VAL A 107 -0.630 8.997 2.157 1.00 62.21 C ATOM 1607 CG1 VAL A 107 0.250 7.986 2.837 1.00 42.43 C ATOM 1608 CG2 VAL A 107 0.198 9.717 1.119 1.00 15.41 C ATOM 0 H VAL A 107 -2.552 10.360 1.427 1.00 20.30 H new ATOM 0 HA VAL A 107 -1.626 7.674 0.719 1.00 73.02 H new ATOM 0 HB VAL A 107 -0.998 9.686 2.918 1.00 62.21 H new ATOM 0 HG11 VAL A 107 1.116 8.488 3.267 1.00 42.43 H new ATOM 0 HG12 VAL A 107 -0.311 7.489 3.628 1.00 42.43 H new ATOM 0 HG13 VAL A 107 0.584 7.246 2.109 1.00 42.43 H new ATOM 0 HG21 VAL A 107 1.084 10.142 1.591 1.00 15.41 H new ATOM 0 HG22 VAL A 107 0.502 9.014 0.344 1.00 15.41 H new ATOM 0 HG23 VAL A 107 -0.393 10.516 0.672 1.00 15.41 H new ATOM 1618 N LYS A 108 -3.976 8.010 2.767 1.00 70.21 N ATOM 1619 CA LYS A 108 -4.864 7.433 3.776 1.00 23.12 C ATOM 1620 C LYS A 108 -5.119 5.933 3.547 1.00 22.23 C ATOM 1621 O LYS A 108 -5.128 5.166 4.503 1.00 0.15 O ATOM 1622 CB LYS A 108 -6.172 8.239 3.805 1.00 32.45 C ATOM 1623 CG LYS A 108 -7.069 8.008 5.023 1.00 35.41 C ATOM 1624 CD LYS A 108 -8.088 6.882 4.827 1.00 61.35 C ATOM 1625 CE LYS A 108 -9.038 7.147 3.662 1.00 40.03 C ATOM 1626 NZ LYS A 108 -9.791 8.424 3.812 1.00 14.42 N ATOM 0 H LYS A 108 -4.389 8.795 2.263 1.00 70.21 H new ATOM 0 HA LYS A 108 -4.377 7.499 4.749 1.00 23.12 H new ATOM 0 HB2 LYS A 108 -5.925 9.299 3.755 1.00 32.45 H new ATOM 0 HB3 LYS A 108 -6.743 8.002 2.907 1.00 32.45 H new ATOM 0 HG2 LYS A 108 -6.444 7.776 5.885 1.00 35.41 H new ATOM 0 HG3 LYS A 108 -7.600 8.932 5.254 1.00 35.41 H new ATOM 0 HD2 LYS A 108 -7.559 5.945 4.654 1.00 61.35 H new ATOM 0 HD3 LYS A 108 -8.667 6.757 5.742 1.00 61.35 H new ATOM 0 HE2 LYS A 108 -8.468 7.173 2.733 1.00 40.03 H new ATOM 0 HE3 LYS A 108 -9.745 6.321 3.580 1.00 40.03 H new ATOM 0 HZ1 LYS A 108 -10.481 8.513 3.039 1.00 14.42 H new ATOM 0 HZ2 LYS A 108 -10.291 8.427 4.724 1.00 14.42 H new ATOM 0 HZ3 LYS A 108 -9.128 9.224 3.778 1.00 14.42 H new ATOM 1640 N LYS A 109 -5.258 5.531 2.282 1.00 1.23 N ATOM 1641 CA LYS A 109 -5.551 4.144 1.918 1.00 54.54 C ATOM 1642 C LYS A 109 -4.331 3.213 2.113 1.00 52.22 C ATOM 1643 O LYS A 109 -4.500 2.023 2.378 1.00 33.21 O ATOM 1644 CB LYS A 109 -6.073 4.112 0.469 1.00 32.41 C ATOM 1645 CG LYS A 109 -6.534 2.740 -0.011 1.00 42.33 C ATOM 1646 CD LYS A 109 -7.936 2.754 -0.625 1.00 61.51 C ATOM 1647 CE LYS A 109 -8.045 3.588 -1.908 1.00 12.30 C ATOM 1648 NZ LYS A 109 -7.060 3.207 -2.955 1.00 30.41 N ATOM 0 H LYS A 109 -5.171 6.158 1.482 1.00 1.23 H new ATOM 0 HA LYS A 109 -6.320 3.759 2.588 1.00 54.54 H new ATOM 0 HB2 LYS A 109 -6.905 4.811 0.381 1.00 32.41 H new ATOM 0 HB3 LYS A 109 -5.285 4.469 -0.195 1.00 32.41 H new ATOM 0 HG2 LYS A 109 -5.825 2.364 -0.749 1.00 42.33 H new ATOM 0 HG3 LYS A 109 -6.519 2.045 0.829 1.00 42.33 H new ATOM 0 HD2 LYS A 109 -8.237 1.729 -0.843 1.00 61.51 H new ATOM 0 HD3 LYS A 109 -8.640 3.143 0.110 1.00 61.51 H new ATOM 0 HE2 LYS A 109 -9.051 3.484 -2.314 1.00 12.30 H new ATOM 0 HE3 LYS A 109 -7.909 4.640 -1.659 1.00 12.30 H new ATOM 0 HZ1 LYS A 109 -7.317 3.661 -3.855 1.00 30.41 H new ATOM 0 HZ2 LYS A 109 -6.110 3.519 -2.668 1.00 30.41 H new ATOM 0 HZ3 LYS A 109 -7.063 2.174 -3.075 1.00 30.41 H new ATOM 1662 N PHE A 110 -3.113 3.766 2.012 1.00 34.43 N ATOM 1663 CA PHE A 110 -1.880 3.001 2.248 1.00 62.44 C ATOM 1664 C PHE A 110 -1.785 2.560 3.705 1.00 53.13 C ATOM 1665 O PHE A 110 -1.622 1.371 3.979 1.00 31.32 O ATOM 1666 CB PHE A 110 -0.634 3.827 1.852 1.00 62.33 C ATOM 1667 CG PHE A 110 0.679 3.214 2.268 1.00 45.35 C ATOM 1668 CD1 PHE A 110 1.214 2.129 1.592 1.00 5.01 C ATOM 1669 CD2 PHE A 110 1.356 3.715 3.364 1.00 70.33 C ATOM 1670 CE1 PHE A 110 2.400 1.556 2.013 1.00 24.52 C ATOM 1671 CE2 PHE A 110 2.541 3.154 3.782 1.00 50.10 C ATOM 1672 CZ PHE A 110 3.062 2.070 3.112 1.00 32.41 C ATOM 0 H PHE A 110 -2.956 4.744 1.768 1.00 34.43 H new ATOM 0 HA PHE A 110 -1.914 2.110 1.621 1.00 62.44 H new ATOM 0 HB2 PHE A 110 -0.631 3.962 0.770 1.00 62.33 H new ATOM 0 HB3 PHE A 110 -0.715 4.819 2.296 1.00 62.33 H new ATOM 0 HD1 PHE A 110 0.701 1.728 0.730 1.00 5.01 H new ATOM 0 HD2 PHE A 110 0.949 4.559 3.900 1.00 70.33 H new ATOM 0 HE1 PHE A 110 2.808 0.708 1.484 1.00 24.52 H new ATOM 0 HE2 PHE A 110 3.062 3.564 4.635 1.00 50.10 H new ATOM 0 HZ PHE A 110 3.987 1.622 3.445 1.00 32.41 H new ATOM 1682 N PHE A 111 -1.897 3.527 4.620 1.00 21.52 N ATOM 1683 CA PHE A 111 -1.809 3.255 6.053 1.00 10.31 C ATOM 1684 C PHE A 111 -3.018 2.456 6.551 1.00 4.30 C ATOM 1685 O PHE A 111 -2.892 1.686 7.490 1.00 11.04 O ATOM 1686 CB PHE A 111 -1.658 4.557 6.850 1.00 23.51 C ATOM 1687 CG PHE A 111 -0.265 5.157 6.819 1.00 74.05 C ATOM 1688 CD1 PHE A 111 0.674 4.810 7.778 1.00 72.25 C ATOM 1689 CD2 PHE A 111 0.100 6.074 5.852 1.00 51.22 C ATOM 1690 CE1 PHE A 111 1.940 5.363 7.769 1.00 44.23 C ATOM 1691 CE2 PHE A 111 1.368 6.628 5.838 1.00 72.31 C ATOM 1692 CZ PHE A 111 2.287 6.271 6.798 1.00 32.31 C ATOM 0 H PHE A 111 -2.049 4.509 4.390 1.00 21.52 H new ATOM 0 HA PHE A 111 -0.919 2.646 6.214 1.00 10.31 H new ATOM 0 HB2 PHE A 111 -2.364 5.290 6.461 1.00 23.51 H new ATOM 0 HB3 PHE A 111 -1.935 4.367 7.887 1.00 23.51 H new ATOM 0 HD1 PHE A 111 0.412 4.096 8.545 1.00 72.25 H new ATOM 0 HD2 PHE A 111 -0.615 6.363 5.096 1.00 51.22 H new ATOM 0 HE1 PHE A 111 2.657 5.081 8.526 1.00 44.23 H new ATOM 0 HE2 PHE A 111 1.637 7.341 5.073 1.00 72.31 H new ATOM 0 HZ PHE A 111 3.277 6.703 6.788 1.00 32.31 H new ATOM 1702 N ASP A 112 -4.164 2.618 5.874 1.00 34.11 N ATOM 1703 CA ASP A 112 -5.407 1.898 6.198 1.00 60.05 C ATOM 1704 C ASP A 112 -5.248 0.396 5.993 1.00 22.32 C ATOM 1705 O ASP A 112 -5.625 -0.411 6.844 1.00 61.34 O ATOM 1706 CB ASP A 112 -6.527 2.379 5.284 1.00 70.32 C ATOM 1707 CG ASP A 112 -7.887 2.320 5.935 1.00 31.11 C ATOM 1708 OD1 ASP A 112 -8.072 2.938 6.998 1.00 43.15 O ATOM 1709 OD2 ASP A 112 -8.783 1.674 5.368 1.00 72.13 O ATOM 0 H ASP A 112 -4.257 3.255 5.083 1.00 34.11 H new ATOM 0 HA ASP A 112 -5.641 2.096 7.244 1.00 60.05 H new ATOM 0 HB2 ASP A 112 -6.322 3.404 4.976 1.00 70.32 H new ATOM 0 HB3 ASP A 112 -6.537 1.771 4.380 1.00 70.32 H new ATOM 1714 N LEU A 113 -4.663 0.048 4.851 1.00 41.34 N ATOM 1715 CA LEU A 113 -4.465 -1.334 4.456 1.00 43.01 C ATOM 1716 C LEU A 113 -3.277 -1.967 5.177 1.00 73.22 C ATOM 1717 O LEU A 113 -3.259 -3.173 5.402 1.00 43.13 O ATOM 1718 CB LEU A 113 -4.276 -1.424 2.941 1.00 22.12 C ATOM 1719 CG LEU A 113 -5.525 -1.753 2.108 1.00 55.11 C ATOM 1720 CD1 LEU A 113 -6.163 -3.028 2.614 1.00 23.13 C ATOM 1721 CD2 LEU A 113 -6.534 -0.612 2.118 1.00 44.24 C ATOM 0 H LEU A 113 -4.312 0.724 4.173 1.00 41.34 H new ATOM 0 HA LEU A 113 -5.356 -1.892 4.743 1.00 43.01 H new ATOM 0 HB2 LEU A 113 -3.874 -0.473 2.591 1.00 22.12 H new ATOM 0 HB3 LEU A 113 -3.521 -2.183 2.737 1.00 22.12 H new ATOM 0 HG LEU A 113 -5.207 -1.894 1.075 1.00 55.11 H new ATOM 0 HD11 LEU A 113 -7.047 -3.254 2.018 1.00 23.13 H new ATOM 0 HD12 LEU A 113 -5.451 -3.849 2.532 1.00 23.13 H new ATOM 0 HD13 LEU A 113 -6.451 -2.901 3.658 1.00 23.13 H new ATOM 0 HD21 LEU A 113 -7.401 -0.887 1.517 1.00 44.24 H new ATOM 0 HD22 LEU A 113 -6.850 -0.415 3.142 1.00 44.24 H new ATOM 0 HD23 LEU A 113 -6.074 0.284 1.702 1.00 44.24 H new ATOM 1733 N ALA A 114 -2.292 -1.136 5.530 1.00 22.13 N ATOM 1734 CA ALA A 114 -1.141 -1.560 6.329 1.00 13.25 C ATOM 1735 C ALA A 114 -1.552 -1.961 7.751 1.00 62.04 C ATOM 1736 O ALA A 114 -0.957 -2.865 8.336 1.00 45.13 O ATOM 1737 CB ALA A 114 -0.105 -0.453 6.373 1.00 13.54 C ATOM 0 H ALA A 114 -2.271 -0.150 5.269 1.00 22.13 H new ATOM 0 HA ALA A 114 -0.710 -2.440 5.852 1.00 13.25 H new ATOM 0 HB1 ALA A 114 0.748 -0.777 6.969 1.00 13.54 H new ATOM 0 HB2 ALA A 114 0.226 -0.224 5.360 1.00 13.54 H new ATOM 0 HB3 ALA A 114 -0.544 0.438 6.821 1.00 13.54 H new ATOM 1743 N GLN A 115 -2.583 -1.288 8.284 1.00 71.33 N ATOM 1744 CA GLN A 115 -3.166 -1.620 9.590 1.00 73.34 C ATOM 1745 C GLN A 115 -3.845 -2.987 9.563 1.00 43.10 C ATOM 1746 O GLN A 115 -3.703 -3.773 10.497 1.00 4.50 O ATOM 1747 CB GLN A 115 -4.181 -0.556 10.005 1.00 3.13 C ATOM 1748 CG GLN A 115 -3.552 0.744 10.457 1.00 21.30 C ATOM 1749 CD GLN A 115 -4.572 1.842 10.672 1.00 32.34 C ATOM 1750 OE1 GLN A 115 -5.134 1.971 11.750 1.00 75.51 O ATOM 1751 NE2 GLN A 115 -4.796 2.657 9.656 1.00 11.20 N ATOM 0 H GLN A 115 -3.035 -0.499 7.821 1.00 71.33 H new ATOM 0 HA GLN A 115 -2.353 -1.651 10.316 1.00 73.34 H new ATOM 0 HB2 GLN A 115 -4.846 -0.354 9.165 1.00 3.13 H new ATOM 0 HB3 GLN A 115 -4.798 -0.951 10.813 1.00 3.13 H new ATOM 0 HG2 GLN A 115 -3.005 0.575 11.384 1.00 21.30 H new ATOM 0 HG3 GLN A 115 -2.825 1.069 9.713 1.00 21.30 H new ATOM 0 HE21 GLN A 115 -4.307 2.516 8.772 1.00 11.20 H new ATOM 0 HE22 GLN A 115 -5.458 3.427 9.756 1.00 11.20 H new ATOM 1760 N LYS A 116 -4.567 -3.260 8.473 1.00 52.10 N ATOM 1761 CA LYS A 116 -5.273 -4.521 8.275 1.00 43.41 C ATOM 1762 C LYS A 116 -4.342 -5.699 7.955 1.00 34.14 C ATOM 1763 O LYS A 116 -4.730 -6.849 8.121 1.00 64.34 O ATOM 1764 CB LYS A 116 -6.355 -4.349 7.219 1.00 2.11 C ATOM 1765 CG LYS A 116 -7.430 -3.378 7.680 1.00 11.33 C ATOM 1766 CD LYS A 116 -8.618 -3.333 6.747 1.00 71.42 C ATOM 1767 CE LYS A 116 -8.330 -2.585 5.459 1.00 42.34 C ATOM 1768 NZ LYS A 116 -9.560 -2.431 4.637 1.00 43.14 N ATOM 0 H LYS A 116 -4.677 -2.605 7.699 1.00 52.10 H new ATOM 0 HA LYS A 116 -5.742 -4.781 9.224 1.00 43.41 H new ATOM 0 HB2 LYS A 116 -5.908 -3.987 6.293 1.00 2.11 H new ATOM 0 HB3 LYS A 116 -6.807 -5.316 6.998 1.00 2.11 H new ATOM 0 HG2 LYS A 116 -7.767 -3.663 8.677 1.00 11.33 H new ATOM 0 HG3 LYS A 116 -7.000 -2.380 7.762 1.00 11.33 H new ATOM 0 HD2 LYS A 116 -8.925 -4.351 6.509 1.00 71.42 H new ATOM 0 HD3 LYS A 116 -9.456 -2.858 7.257 1.00 71.42 H new ATOM 0 HE2 LYS A 116 -7.919 -1.602 5.691 1.00 42.34 H new ATOM 0 HE3 LYS A 116 -7.572 -3.120 4.887 1.00 42.34 H new ATOM 0 HZ1 LYS A 116 -9.331 -1.916 3.763 1.00 43.14 H new ATOM 0 HZ2 LYS A 116 -9.937 -3.370 4.397 1.00 43.14 H new ATOM 0 HZ3 LYS A 116 -10.273 -1.899 5.176 1.00 43.14 H new ATOM 1782 N ALA A 117 -3.143 -5.423 7.441 1.00 4.41 N ATOM 1783 CA ALA A 117 -2.131 -6.464 7.238 1.00 33.42 C ATOM 1784 C ALA A 117 -1.629 -7.028 8.574 1.00 53.54 C ATOM 1785 O ALA A 117 -1.270 -8.201 8.676 1.00 2.12 O ATOM 1786 CB ALA A 117 -0.972 -5.913 6.426 1.00 53.25 C ATOM 0 H ALA A 117 -2.848 -4.489 7.157 1.00 4.41 H new ATOM 0 HA ALA A 117 -2.595 -7.282 6.688 1.00 33.42 H new ATOM 0 HB1 ALA A 117 -0.226 -6.694 6.281 1.00 53.25 H new ATOM 0 HB2 ALA A 117 -1.336 -5.574 5.456 1.00 53.25 H new ATOM 0 HB3 ALA A 117 -0.521 -5.075 6.958 1.00 53.25 H new ATOM 1792 N LEU A 118 -1.634 -6.183 9.596 1.00 1.23 N ATOM 1793 CA LEU A 118 -1.084 -6.532 10.895 1.00 70.43 C ATOM 1794 C LEU A 118 -2.161 -6.662 11.974 1.00 4.34 C ATOM 1795 O LEU A 118 -1.832 -6.772 13.155 1.00 73.14 O ATOM 1796 CB LEU A 118 -0.076 -5.466 11.285 1.00 53.30 C ATOM 1797 CG LEU A 118 1.046 -5.289 10.280 1.00 51.20 C ATOM 1798 CD1 LEU A 118 1.527 -3.866 10.302 1.00 31.43 C ATOM 1799 CD2 LEU A 118 2.178 -6.248 10.577 1.00 72.22 C ATOM 0 H LEU A 118 -2.019 -5.240 9.547 1.00 1.23 H new ATOM 0 HA LEU A 118 -0.607 -7.509 10.817 1.00 70.43 H new ATOM 0 HB2 LEU A 118 -0.595 -4.515 11.407 1.00 53.30 H new ATOM 0 HB3 LEU A 118 0.353 -5.722 12.254 1.00 53.30 H new ATOM 0 HG LEU A 118 0.671 -5.514 9.282 1.00 51.20 H new ATOM 0 HD11 LEU A 118 2.333 -3.743 9.579 1.00 31.43 H new ATOM 0 HD12 LEU A 118 0.704 -3.200 10.045 1.00 31.43 H new ATOM 0 HD13 LEU A 118 1.894 -3.621 11.299 1.00 31.43 H new ATOM 0 HD21 LEU A 118 2.975 -6.108 9.847 1.00 72.22 H new ATOM 0 HD22 LEU A 118 2.565 -6.055 11.578 1.00 72.22 H new ATOM 0 HD23 LEU A 118 1.811 -7.273 10.521 1.00 72.22 H new ATOM 1811 N LYS A 119 -3.442 -6.657 11.572 1.00 35.04 N ATOM 1812 CA LYS A 119 -4.563 -6.756 12.535 1.00 52.00 C ATOM 1813 C LYS A 119 -4.652 -8.148 13.171 1.00 53.21 C ATOM 1814 O LYS A 119 -5.088 -8.286 14.311 1.00 55.43 O ATOM 1815 CB LYS A 119 -5.909 -6.373 11.887 1.00 70.33 C ATOM 1816 CG LYS A 119 -6.338 -7.269 10.731 1.00 25.22 C ATOM 1817 CD LYS A 119 -7.721 -6.919 10.202 1.00 72.13 C ATOM 1818 CE LYS A 119 -8.825 -7.571 11.022 1.00 60.21 C ATOM 1819 NZ LYS A 119 -8.830 -9.052 10.870 1.00 2.32 N ATOM 0 H LYS A 119 -3.731 -6.586 10.596 1.00 35.04 H new ATOM 0 HA LYS A 119 -4.352 -6.039 13.328 1.00 52.00 H new ATOM 0 HB2 LYS A 119 -6.684 -6.395 12.653 1.00 70.33 H new ATOM 0 HB3 LYS A 119 -5.844 -5.346 11.528 1.00 70.33 H new ATOM 0 HG2 LYS A 119 -5.612 -7.185 9.922 1.00 25.22 H new ATOM 0 HG3 LYS A 119 -6.331 -8.308 11.060 1.00 25.22 H new ATOM 0 HD2 LYS A 119 -7.851 -5.837 10.214 1.00 72.13 H new ATOM 0 HD3 LYS A 119 -7.804 -7.238 9.163 1.00 72.13 H new ATOM 0 HE2 LYS A 119 -8.696 -7.315 12.073 1.00 60.21 H new ATOM 0 HE3 LYS A 119 -9.791 -7.171 10.713 1.00 60.21 H new ATOM 0 HZ1 LYS A 119 -9.677 -9.344 10.342 1.00 2.32 H new ATOM 0 HZ2 LYS A 119 -7.979 -9.351 10.352 1.00 2.32 H new ATOM 0 HZ3 LYS A 119 -8.837 -9.497 11.810 1.00 2.32 H new ATOM 1833 N ASP A 120 -4.232 -9.166 12.426 1.00 43.44 N ATOM 1834 CA ASP A 120 -4.139 -10.527 12.949 1.00 63.23 C ATOM 1835 C ASP A 120 -2.724 -10.816 13.439 1.00 21.21 C ATOM 1836 O ASP A 120 -2.530 -11.639 14.336 1.00 32.42 O ATOM 1837 CB ASP A 120 -4.522 -11.550 11.873 1.00 63.11 C ATOM 1838 CG ASP A 120 -5.977 -11.470 11.467 1.00 64.32 C ATOM 1839 OD1 ASP A 120 -6.311 -10.647 10.599 1.00 74.51 O ATOM 1840 OD2 ASP A 120 -6.790 -12.247 12.000 1.00 33.23 O ATOM 0 H ASP A 120 -3.948 -9.074 11.451 1.00 43.44 H new ATOM 0 HA ASP A 120 -4.834 -10.612 13.784 1.00 63.23 H new ATOM 0 HB2 ASP A 120 -3.897 -11.394 10.994 1.00 63.11 H new ATOM 0 HB3 ASP A 120 -4.309 -12.553 12.242 1.00 63.11 H new ATOM 1845 N ALA A 121 -1.752 -10.096 12.829 1.00 15.52 N ATOM 1846 CA ALA A 121 -0.295 -10.274 13.029 1.00 21.24 C ATOM 1847 C ALA A 121 0.181 -11.715 12.773 1.00 32.24 C ATOM 1848 O ALA A 121 1.188 -12.158 13.332 1.00 40.15 O ATOM 1849 CB ALA A 121 0.139 -9.780 14.405 1.00 25.41 C ATOM 0 H ALA A 121 -1.968 -9.353 12.164 1.00 15.52 H new ATOM 0 HA ALA A 121 0.194 -9.657 12.275 1.00 21.24 H new ATOM 0 HB1 ALA A 121 1.213 -9.924 14.521 1.00 25.41 H new ATOM 0 HB2 ALA A 121 -0.098 -8.720 14.502 1.00 25.41 H new ATOM 0 HB3 ALA A 121 -0.388 -10.342 15.176 1.00 25.41 H new ATOM 1855 N GLU A 122 -0.530 -12.414 11.881 1.00 13.15 N ATOM 1856 CA GLU A 122 -0.166 -13.764 11.448 1.00 73.22 C ATOM 1857 C GLU A 122 -0.714 -14.059 10.044 1.00 44.03 C ATOM 1858 O GLU A 122 -0.892 -15.216 9.653 1.00 14.32 O ATOM 1859 CB GLU A 122 -0.658 -14.790 12.466 1.00 32.04 C ATOM 1860 CG GLU A 122 -2.141 -14.718 12.782 1.00 62.35 C ATOM 1861 CD GLU A 122 -2.513 -15.654 13.899 1.00 35.13 C ATOM 1862 OE1 GLU A 122 -2.137 -15.384 15.055 1.00 2.33 O ATOM 1863 OE2 GLU A 122 -3.177 -16.666 13.624 1.00 43.44 O ATOM 0 H GLU A 122 -1.377 -12.056 11.439 1.00 13.15 H new ATOM 0 HA GLU A 122 0.920 -13.832 11.391 1.00 73.22 H new ATOM 0 HB2 GLU A 122 -0.429 -15.788 12.093 1.00 32.04 H new ATOM 0 HB3 GLU A 122 -0.098 -14.659 13.392 1.00 32.04 H new ATOM 0 HG2 GLU A 122 -2.406 -13.697 13.058 1.00 62.35 H new ATOM 0 HG3 GLU A 122 -2.717 -14.967 11.890 1.00 62.35 H new ATOM 1870 N LYS A 123 -0.941 -12.990 9.281 1.00 13.52 N ATOM 1871 CA LYS A 123 -1.427 -13.090 7.905 1.00 40.03 C ATOM 1872 C LYS A 123 -0.272 -13.387 6.956 1.00 52.41 C ATOM 1873 O LYS A 123 0.560 -12.531 6.709 1.00 3.32 O ATOM 1874 CB LYS A 123 -2.112 -11.789 7.496 1.00 71.21 C ATOM 1875 CG LYS A 123 -3.397 -11.507 8.265 1.00 44.41 C ATOM 1876 CD LYS A 123 -3.987 -10.145 7.932 1.00 64.23 C ATOM 1877 CE LYS A 123 -4.367 -10.016 6.459 1.00 42.13 C ATOM 1878 NZ LYS A 123 -5.421 -10.983 6.055 1.00 0.25 N ATOM 0 H LYS A 123 -0.794 -12.032 9.599 1.00 13.52 H new ATOM 0 HA LYS A 123 -2.148 -13.906 7.849 1.00 40.03 H new ATOM 0 HB2 LYS A 123 -1.419 -10.961 7.647 1.00 71.21 H new ATOM 0 HB3 LYS A 123 -2.337 -11.826 6.430 1.00 71.21 H new ATOM 0 HG2 LYS A 123 -4.129 -12.282 8.039 1.00 44.41 H new ATOM 0 HG3 LYS A 123 -3.196 -11.561 9.335 1.00 44.41 H new ATOM 0 HD2 LYS A 123 -4.870 -9.975 8.548 1.00 64.23 H new ATOM 0 HD3 LYS A 123 -3.266 -9.368 8.187 1.00 64.23 H new ATOM 0 HE2 LYS A 123 -4.716 -9.002 6.265 1.00 42.13 H new ATOM 0 HE3 LYS A 123 -3.481 -10.172 5.844 1.00 42.13 H new ATOM 0 HZ1 LYS A 123 -5.715 -10.788 5.077 1.00 0.25 H new ATOM 0 HZ2 LYS A 123 -5.046 -11.951 6.117 1.00 0.25 H new ATOM 0 HZ3 LYS A 123 -6.241 -10.888 6.688 1.00 0.25 H new ATOM 1892 N LEU A 124 -0.235 -14.602 6.429 1.00 73.52 N ATOM 1893 CA LEU A 124 0.924 -15.084 5.679 1.00 64.41 C ATOM 1894 C LEU A 124 0.911 -14.641 4.212 1.00 23.45 C ATOM 1895 O LEU A 124 -0.141 -14.341 3.642 1.00 24.11 O ATOM 1896 CB LEU A 124 1.134 -16.635 5.844 1.00 64.40 C ATOM 1897 CG LEU A 124 0.099 -17.687 5.289 1.00 33.31 C ATOM 1898 CD1 LEU A 124 -1.335 -17.440 5.739 1.00 51.13 C ATOM 1899 CD2 LEU A 124 0.174 -17.840 3.770 1.00 3.02 C ATOM 0 H LEU A 124 -0.996 -15.277 6.505 1.00 73.52 H new ATOM 0 HA LEU A 124 1.797 -14.605 6.123 1.00 64.41 H new ATOM 0 HB2 LEU A 124 2.096 -16.871 5.388 1.00 64.40 H new ATOM 0 HB3 LEU A 124 1.232 -16.826 6.913 1.00 64.40 H new ATOM 0 HG LEU A 124 0.405 -18.632 5.738 1.00 33.31 H new ATOM 0 HD11 LEU A 124 -1.986 -18.205 5.316 1.00 51.13 H new ATOM 0 HD12 LEU A 124 -1.387 -17.480 6.827 1.00 51.13 H new ATOM 0 HD13 LEU A 124 -1.660 -16.457 5.397 1.00 51.13 H new ATOM 0 HD21 LEU A 124 -0.560 -18.576 3.442 1.00 3.02 H new ATOM 0 HD22 LEU A 124 -0.037 -16.881 3.297 1.00 3.02 H new ATOM 0 HD23 LEU A 124 1.173 -18.172 3.487 1.00 3.02 H new ATOM 1911 N GLU A 125 2.110 -14.603 3.635 1.00 30.10 N ATOM 1912 CA GLU A 125 2.321 -14.296 2.227 1.00 2.41 C ATOM 1913 C GLU A 125 3.457 -15.180 1.698 1.00 11.32 C ATOM 1914 O GLU A 125 3.976 -16.028 2.429 1.00 34.41 O ATOM 1915 CB GLU A 125 2.685 -12.808 2.051 1.00 74.22 C ATOM 1916 CG GLU A 125 1.782 -12.042 1.091 1.00 63.12 C ATOM 1917 CD GLU A 125 1.777 -12.608 -0.312 1.00 14.41 C ATOM 1918 OE1 GLU A 125 2.839 -12.586 -0.965 1.00 21.02 O ATOM 1919 OE2 GLU A 125 0.732 -13.122 -0.749 1.00 10.42 O ATOM 0 H GLU A 125 2.975 -14.788 4.143 1.00 30.10 H new ATOM 0 HA GLU A 125 1.406 -14.492 1.668 1.00 2.41 H new ATOM 0 HB2 GLU A 125 2.652 -12.322 3.026 1.00 74.22 H new ATOM 0 HB3 GLU A 125 3.713 -12.739 1.695 1.00 74.22 H new ATOM 0 HG2 GLU A 125 0.764 -12.047 1.480 1.00 63.12 H new ATOM 0 HG3 GLU A 125 2.104 -11.001 1.054 1.00 63.12 H new ATOM 1926 N HIS A 126 3.832 -15.003 0.438 1.00 41.02 N ATOM 1927 CA HIS A 126 4.932 -15.752 -0.153 1.00 2.34 C ATOM 1928 C HIS A 126 5.973 -14.801 -0.729 1.00 3.12 C ATOM 1929 O HIS A 126 5.982 -14.502 -1.924 1.00 74.24 O ATOM 1930 CB HIS A 126 4.438 -16.742 -1.219 1.00 54.34 C ATOM 1931 CG HIS A 126 3.621 -17.869 -0.664 1.00 33.15 C ATOM 1932 ND1 HIS A 126 2.244 -17.873 -0.656 1.00 41.11 N ATOM 1933 CD2 HIS A 126 4.000 -19.024 -0.078 1.00 12.42 C ATOM 1934 CE1 HIS A 126 1.812 -18.979 -0.085 1.00 45.53 C ATOM 1935 NE2 HIS A 126 2.857 -19.694 0.272 1.00 72.20 N ATOM 0 H HIS A 126 3.386 -14.342 -0.198 1.00 41.02 H new ATOM 0 HA HIS A 126 5.399 -16.339 0.638 1.00 2.34 H new ATOM 0 HB2 HIS A 126 3.843 -16.202 -1.955 1.00 54.34 H new ATOM 0 HB3 HIS A 126 5.299 -17.154 -1.746 1.00 54.34 H new ATOM 0 HD2 HIS A 126 5.014 -19.358 0.085 1.00 12.42 H new ATOM 0 HE1 HIS A 126 0.778 -19.252 0.064 1.00 45.53 H new ATOM 0 HE2 HIS A 126 2.822 -20.602 0.735 1.00 72.20 H new ATOM 1944 N HIS A 127 6.789 -14.266 0.166 1.00 44.04 N ATOM 1945 CA HIS A 127 7.925 -13.415 -0.179 1.00 50.11 C ATOM 1946 C HIS A 127 9.176 -14.012 0.464 1.00 22.23 C ATOM 1947 O HIS A 127 9.118 -15.110 1.027 1.00 42.53 O ATOM 1948 CB HIS A 127 7.718 -11.970 0.333 1.00 5.23 C ATOM 1949 CG HIS A 127 6.863 -11.067 -0.523 1.00 42.41 C ATOM 1950 ND1 HIS A 127 5.752 -11.486 -1.223 1.00 50.33 N ATOM 1951 CD2 HIS A 127 6.972 -9.738 -0.776 1.00 53.32 C ATOM 1952 CE1 HIS A 127 5.217 -10.464 -1.865 1.00 13.14 C ATOM 1953 NE2 HIS A 127 5.937 -9.393 -1.611 1.00 11.23 N ATOM 0 H HIS A 127 6.682 -14.411 1.170 1.00 44.04 H new ATOM 0 HA HIS A 127 8.027 -13.372 -1.263 1.00 50.11 H new ATOM 0 HB2 HIS A 127 7.272 -12.021 1.326 1.00 5.23 H new ATOM 0 HB3 HIS A 127 8.697 -11.505 0.447 1.00 5.23 H new ATOM 0 HD2 HIS A 127 7.732 -9.074 -0.392 1.00 53.32 H new ATOM 0 HE1 HIS A 127 4.338 -10.501 -2.492 1.00 13.14 H new ATOM 0 HE2 HIS A 127 5.756 -8.458 -1.975 1.00 11.23 H new ATOM 1962 N HIS A 128 10.303 -13.317 0.368 1.00 4.25 N ATOM 1963 CA HIS A 128 11.503 -13.719 1.095 1.00 71.05 C ATOM 1964 C HIS A 128 11.649 -12.839 2.340 1.00 1.30 C ATOM 1965 O HIS A 128 10.854 -12.979 3.263 1.00 64.33 O ATOM 1966 CB HIS A 128 12.766 -13.674 0.208 1.00 1.21 C ATOM 1967 CG HIS A 128 12.906 -14.814 -0.770 1.00 3.03 C ATOM 1968 ND1 HIS A 128 14.044 -15.018 -1.518 1.00 43.24 N ATOM 1969 CD2 HIS A 128 12.055 -15.811 -1.115 1.00 60.21 C ATOM 1970 CE1 HIS A 128 13.886 -16.080 -2.283 1.00 14.34 C ATOM 1971 NE2 HIS A 128 12.689 -16.580 -2.058 1.00 63.01 N ATOM 0 H HIS A 128 10.412 -12.478 -0.202 1.00 4.25 H new ATOM 0 HA HIS A 128 11.395 -14.759 1.402 1.00 71.05 H new ATOM 0 HB2 HIS A 128 12.766 -12.737 -0.349 1.00 1.21 H new ATOM 0 HB3 HIS A 128 13.644 -13.661 0.854 1.00 1.21 H new ATOM 0 HD2 HIS A 128 11.062 -15.970 -0.721 1.00 60.21 H new ATOM 0 HE1 HIS A 128 14.615 -16.473 -2.976 1.00 14.34 H new ATOM 0 HE2 HIS A 128 12.297 -17.405 -2.511 1.00 63.01 H new ATOM 1980 N HIS A 129 12.644 -11.943 2.346 1.00 51.54 N ATOM 1981 CA HIS A 129 12.814 -10.917 3.385 1.00 41.21 C ATOM 1982 C HIS A 129 13.650 -9.770 2.832 1.00 44.03 C ATOM 1983 O HIS A 129 14.884 -9.799 2.863 1.00 12.35 O ATOM 1984 CB HIS A 129 13.462 -11.453 4.676 1.00 53.52 C ATOM 1985 CG HIS A 129 12.495 -11.847 5.761 1.00 44.35 C ATOM 1986 ND1 HIS A 129 11.193 -11.393 5.832 1.00 51.41 N ATOM 1987 CD2 HIS A 129 12.650 -12.674 6.818 1.00 43.52 C ATOM 1988 CE1 HIS A 129 10.598 -11.921 6.882 1.00 3.11 C ATOM 1989 NE2 HIS A 129 11.458 -12.700 7.493 1.00 62.44 N ATOM 0 H HIS A 129 13.362 -11.909 1.622 1.00 51.54 H new ATOM 0 HA HIS A 129 11.815 -10.574 3.656 1.00 41.21 H new ATOM 0 HB2 HIS A 129 14.074 -12.319 4.424 1.00 53.52 H new ATOM 0 HB3 HIS A 129 14.135 -10.691 5.070 1.00 53.52 H new ATOM 0 HD2 HIS A 129 13.547 -13.214 7.082 1.00 43.52 H new ATOM 0 HE1 HIS A 129 9.577 -11.743 7.187 1.00 3.11 H new ATOM 0 HE2 HIS A 129 11.269 -13.240 8.337 1.00 62.44 H new ATOM 1998 N HIS A 130 12.957 -8.773 2.310 1.00 4.34 N ATOM 1999 CA HIS A 130 13.582 -7.616 1.686 1.00 74.41 C ATOM 2000 C HIS A 130 13.882 -6.550 2.747 1.00 63.22 C ATOM 2001 O HIS A 130 13.223 -6.502 3.782 1.00 33.24 O ATOM 2002 CB HIS A 130 12.629 -7.088 0.587 1.00 54.23 C ATOM 2003 CG HIS A 130 13.169 -5.993 -0.295 1.00 11.21 C ATOM 2004 ND1 HIS A 130 14.414 -6.033 -0.888 1.00 22.03 N ATOM 2005 CD2 HIS A 130 12.621 -4.814 -0.669 1.00 51.32 C ATOM 2006 CE1 HIS A 130 14.608 -4.924 -1.579 1.00 62.55 C ATOM 2007 NE2 HIS A 130 13.535 -4.173 -1.462 1.00 61.43 N ATOM 0 H HIS A 130 11.937 -8.742 2.306 1.00 4.34 H new ATOM 0 HA HIS A 130 14.533 -7.886 1.227 1.00 74.41 H new ATOM 0 HB2 HIS A 130 12.340 -7.926 -0.047 1.00 54.23 H new ATOM 0 HB3 HIS A 130 11.721 -6.724 1.068 1.00 54.23 H new ATOM 0 HD2 HIS A 130 11.644 -4.446 -0.393 1.00 51.32 H new ATOM 0 HE1 HIS A 130 15.495 -4.677 -2.143 1.00 62.55 H new ATOM 0 HE2 HIS A 130 13.404 -3.258 -1.894 1.00 61.43 H new ATOM 2016 N HIS A 131 14.899 -5.728 2.501 1.00 11.34 N ATOM 2017 CA HIS A 131 15.197 -4.601 3.375 1.00 34.02 C ATOM 2018 C HIS A 131 14.753 -3.294 2.710 1.00 4.53 C ATOM 2019 O HIS A 131 14.698 -3.194 1.483 1.00 5.21 O ATOM 2020 CB HIS A 131 16.699 -4.558 3.724 1.00 53.55 C ATOM 2021 CG HIS A 131 17.063 -3.536 4.768 1.00 62.51 C ATOM 2022 ND1 HIS A 131 17.759 -2.382 4.481 1.00 33.35 N ATOM 2023 CD2 HIS A 131 16.828 -3.507 6.099 1.00 74.22 C ATOM 2024 CE1 HIS A 131 17.942 -1.690 5.588 1.00 75.32 C ATOM 2025 NE2 HIS A 131 17.388 -2.349 6.585 1.00 53.44 N ATOM 0 H HIS A 131 15.529 -5.823 1.704 1.00 11.34 H new ATOM 0 HA HIS A 131 14.644 -4.725 4.306 1.00 34.02 H new ATOM 0 HB2 HIS A 131 17.007 -5.543 4.074 1.00 53.55 H new ATOM 0 HB3 HIS A 131 17.265 -4.350 2.816 1.00 53.55 H new ATOM 0 HD2 HIS A 131 16.299 -4.254 6.673 1.00 74.22 H new ATOM 0 HE1 HIS A 131 18.458 -0.744 5.664 1.00 75.32 H new ATOM 0 HE2 HIS A 131 17.376 -2.049 7.560 1.00 53.44 H new TER 2034 HIS A 131