USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 996 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 15 THR OG1 : rot 116:sc= 1.29 USER MOD Set 1.2: B 304 THR OG1 : rot 64:sc= 1.31 USER MOD Set 1.3: B 308 HIS : no HD1:sc= 1.04 K(o=5.9,f=-3.6!) USER MOD Set 1.4: B 312 SER OG : rot 103:sc= 2.21 USER MOD Set 2.1: A 71 GLN : amide:sc= 0.37 X(o=-1.2,f=-1.4) USER MOD Set 2.2: A 73 HIS : no HD1:sc= -1.59 X(o=-1.2,f=-0.94) USER MOD Set 3.1: A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 18 GLN : amide:sc= -1.3 K(o=-2.3,f=-1) USER MOD Set 4.2: A 22 SER OG : rot 68:sc= -0.994! USER MOD Set 5.1: A 3 ASN : amide:sc= 0.0119 K(o=0.19,f=-1.5!) USER MOD Set 5.2: A 4 THR OG1 : rot 45:sc= 0.175 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 54:sc= 0.492 USER MOD Single : A 16 THR OG1 : rot 65:sc= 0.2 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= 1.23 (180deg=0.507) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.23) USER MOD Single : A 40 SER OG : rot 98:sc= 1.29 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= 1.21 (180deg=0.716) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= 1.28 USER MOD Single : A 49 THR OG1 : rot -73:sc= 0.127 USER MOD Single : A 50 MET CE :methyl 137:sc= -1.18 (180deg=-4.98!) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= 1.95 (180deg=-0.233) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 60 TYR OH : rot -152:sc= 1.29 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.75) USER MOD Single : A 76 TYR OH : rot -178:sc= 1.18 USER MOD Single : A 77 CYS SG : rot 9:sc= -2.74! USER MOD Single : A 78 SER OG : rot -62:sc= 0.641 USER MOD Single : A 79 ASN : amide:sc=-0.00803 X(o=-0.008,f=-0.03) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= 0.624 (180deg=0.592) USER MOD Single : A 96 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.094) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 35:sc= 1.24 USER MOD Single : A 101 THR OG1 : rot -78:sc= -0.315 USER MOD Single : A 102 MET CE :methyl -172:sc= -2.03 (180deg=-2.42) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.3!) USER MOD Single : B 305 THR OG1 : rot 180:sc= -0.0304 USER MOD Single : B 311 SER OG : rot 122:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 75.871 -23.336 22.214 1.00 1.00 N ATOM 2 CA ASN A 3 76.207 -24.048 23.446 1.00 64.21 C ATOM 3 C ASN A 3 75.559 -23.358 24.645 1.00 1.42 C ATOM 4 O ASN A 3 74.871 -23.989 25.435 1.00 73.22 O ATOM 5 CB ASN A 3 77.749 -24.180 23.628 1.00 71.21 C ATOM 6 CG ASN A 3 78.496 -22.848 23.726 1.00 24.41 C ATOM 7 OD1 ASN A 3 78.069 -21.833 23.170 1.00 11.41 O ATOM 8 ND2 ASN A 3 79.602 -22.842 24.417 1.00 41.45 N ATOM 0 HA ASN A 3 75.809 -25.060 23.376 1.00 64.21 H new ATOM 0 HB2 ASN A 3 77.947 -24.759 24.530 1.00 71.21 H new ATOM 0 HB3 ASN A 3 78.153 -24.747 22.790 1.00 71.21 H new ATOM 0 HD21 ASN A 3 80.141 -21.981 24.510 1.00 41.45 H new ATOM 0 HD22 ASN A 3 79.928 -23.698 24.865 1.00 41.45 H new ATOM 17 N THR A 4 75.758 -22.068 24.766 1.00 21.23 N ATOM 18 CA THR A 4 75.179 -21.301 25.814 1.00 20.42 C ATOM 19 C THR A 4 73.719 -21.000 25.478 1.00 62.42 C ATOM 20 O THR A 4 73.441 -20.277 24.513 1.00 2.41 O ATOM 21 CB THR A 4 75.993 -20.026 25.972 1.00 43.05 C ATOM 22 OG1 THR A 4 76.374 -19.565 24.661 1.00 52.05 O ATOM 23 CG2 THR A 4 77.239 -20.279 26.808 1.00 0.45 C ATOM 0 H THR A 4 76.336 -21.525 24.125 1.00 21.23 H new ATOM 0 HA THR A 4 75.193 -21.849 26.756 1.00 20.42 H new ATOM 0 HB THR A 4 75.391 -19.274 26.482 1.00 43.05 H new ATOM 0 HG1 THR A 4 75.602 -19.615 24.059 1.00 52.05 H new ATOM 0 HG21 THR A 4 77.805 -19.353 26.907 1.00 0.45 H new ATOM 0 HG22 THR A 4 76.948 -20.634 27.797 1.00 0.45 H new ATOM 0 HG23 THR A 4 77.858 -21.032 26.320 1.00 0.45 H new ATOM 31 N ASN A 5 72.813 -21.576 26.270 1.00 20.55 N ATOM 32 CA ASN A 5 71.361 -21.534 26.036 1.00 31.42 C ATOM 33 C ASN A 5 71.016 -22.433 24.875 1.00 64.24 C ATOM 34 O ASN A 5 71.151 -22.056 23.708 1.00 43.23 O ATOM 35 CB ASN A 5 70.768 -20.106 25.836 1.00 31.43 C ATOM 36 CG ASN A 5 70.786 -19.255 27.088 1.00 2.30 C ATOM 37 OD1 ASN A 5 69.848 -19.294 27.899 1.00 54.43 O ATOM 38 ND2 ASN A 5 71.811 -18.458 27.254 1.00 40.12 N ATOM 0 H ASN A 5 73.069 -22.096 27.109 1.00 20.55 H new ATOM 0 HA ASN A 5 70.893 -21.895 26.952 1.00 31.42 H new ATOM 0 HB2 ASN A 5 71.330 -19.596 25.053 1.00 31.43 H new ATOM 0 HB3 ASN A 5 69.740 -20.196 25.484 1.00 31.43 H new ATOM 0 HD21 ASN A 5 71.854 -17.846 28.069 1.00 40.12 H new ATOM 0 HD22 ASN A 5 72.567 -18.449 26.569 1.00 40.12 H new ATOM 45 N MET A 6 70.622 -23.644 25.197 1.00 50.32 N ATOM 46 CA MET A 6 70.321 -24.640 24.193 1.00 55.35 C ATOM 47 C MET A 6 69.046 -24.304 23.464 1.00 55.10 C ATOM 48 O MET A 6 69.073 -23.894 22.299 1.00 33.22 O ATOM 49 CB MET A 6 70.249 -26.046 24.801 1.00 43.32 C ATOM 50 CG MET A 6 71.564 -26.549 25.360 1.00 31.30 C ATOM 51 SD MET A 6 71.416 -28.187 26.102 1.00 50.44 S ATOM 52 CE MET A 6 73.120 -28.486 26.562 1.00 54.43 C ATOM 0 H MET A 6 70.501 -23.966 26.157 1.00 50.32 H new ATOM 0 HA MET A 6 71.137 -24.634 23.470 1.00 55.35 H new ATOM 0 HB2 MET A 6 69.504 -26.048 25.597 1.00 43.32 H new ATOM 0 HB3 MET A 6 69.901 -26.742 24.038 1.00 43.32 H new ATOM 0 HG2 MET A 6 72.306 -26.580 24.562 1.00 31.30 H new ATOM 0 HG3 MET A 6 71.930 -25.846 26.108 1.00 31.30 H new ATOM 0 HE1 MET A 6 73.202 -29.464 27.037 1.00 54.43 H new ATOM 0 HE2 MET A 6 73.747 -28.461 25.671 1.00 54.43 H new ATOM 0 HE3 MET A 6 73.449 -27.715 27.259 1.00 54.43 H new ATOM 62 N SER A 7 67.942 -24.423 24.147 1.00 73.11 N ATOM 63 CA SER A 7 66.673 -24.172 23.546 1.00 53.24 C ATOM 64 C SER A 7 66.351 -22.682 23.540 1.00 5.33 C ATOM 65 O SER A 7 65.792 -22.136 24.498 1.00 12.05 O ATOM 66 CB SER A 7 65.597 -24.995 24.240 1.00 51.30 C ATOM 67 OG SER A 7 65.938 -26.381 24.189 1.00 14.32 O ATOM 0 H SER A 7 67.902 -24.695 25.129 1.00 73.11 H new ATOM 0 HA SER A 7 66.707 -24.484 22.502 1.00 53.24 H new ATOM 0 HB2 SER A 7 65.494 -24.675 25.277 1.00 51.30 H new ATOM 0 HB3 SER A 7 64.633 -24.830 23.758 1.00 51.30 H new ATOM 0 HG SER A 7 65.243 -26.906 24.639 1.00 14.32 H new ATOM 73 N VAL A 8 66.800 -22.022 22.500 1.00 21.31 N ATOM 74 CA VAL A 8 66.543 -20.620 22.300 1.00 5.42 C ATOM 75 C VAL A 8 65.327 -20.442 21.410 1.00 40.44 C ATOM 76 O VAL A 8 65.028 -21.324 20.588 1.00 42.14 O ATOM 77 CB VAL A 8 67.760 -19.876 21.663 1.00 10.22 C ATOM 78 CG1 VAL A 8 68.927 -19.834 22.621 1.00 74.14 C ATOM 79 CG2 VAL A 8 68.183 -20.519 20.342 1.00 45.33 C ATOM 0 H VAL A 8 67.360 -22.449 21.762 1.00 21.31 H new ATOM 0 HA VAL A 8 66.364 -20.183 23.282 1.00 5.42 H new ATOM 0 HB VAL A 8 67.442 -18.855 21.454 1.00 10.22 H new ATOM 0 HG11 VAL A 8 69.762 -19.311 22.155 1.00 74.14 H new ATOM 0 HG12 VAL A 8 68.633 -19.310 23.530 1.00 74.14 H new ATOM 0 HG13 VAL A 8 69.230 -20.851 22.870 1.00 74.14 H new ATOM 0 HG21 VAL A 8 69.032 -19.975 19.928 1.00 45.33 H new ATOM 0 HG22 VAL A 8 68.467 -21.557 20.517 1.00 45.33 H new ATOM 0 HG23 VAL A 8 67.352 -20.484 19.638 1.00 45.33 H new ATOM 89 N PRO A 9 64.590 -19.339 21.582 1.00 74.40 N ATOM 90 CA PRO A 9 63.450 -19.010 20.730 1.00 52.31 C ATOM 91 C PRO A 9 63.872 -18.951 19.259 1.00 2.24 C ATOM 92 O PRO A 9 64.535 -17.996 18.817 1.00 32.11 O ATOM 93 CB PRO A 9 63.012 -17.621 21.205 1.00 13.22 C ATOM 94 CG PRO A 9 63.560 -17.482 22.582 1.00 22.03 C ATOM 95 CD PRO A 9 64.792 -18.342 22.647 1.00 41.32 C ATOM 0 HA PRO A 9 62.655 -19.753 20.799 1.00 52.31 H new ATOM 0 HB2 PRO A 9 63.398 -16.842 20.548 1.00 13.22 H new ATOM 0 HB3 PRO A 9 61.926 -17.530 21.204 1.00 13.22 H new ATOM 0 HG2 PRO A 9 63.803 -16.442 22.798 1.00 22.03 H new ATOM 0 HG3 PRO A 9 62.827 -17.799 23.324 1.00 22.03 H new ATOM 0 HD2 PRO A 9 65.696 -17.757 22.479 1.00 41.32 H new ATOM 0 HD3 PRO A 9 64.896 -18.816 23.623 1.00 41.32 H new ATOM 103 N THR A 10 63.578 -20.000 18.537 1.00 55.24 N ATOM 104 CA THR A 10 63.930 -20.074 17.154 1.00 33.05 C ATOM 105 C THR A 10 62.690 -19.815 16.318 1.00 33.12 C ATOM 106 O THR A 10 62.738 -19.121 15.298 1.00 40.24 O ATOM 107 CB THR A 10 64.536 -21.448 16.832 1.00 53.43 C ATOM 108 OG1 THR A 10 65.522 -21.754 17.839 1.00 13.43 O ATOM 109 CG2 THR A 10 65.221 -21.431 15.469 1.00 1.43 C ATOM 0 H THR A 10 63.090 -20.821 18.894 1.00 55.24 H new ATOM 0 HA THR A 10 64.681 -19.319 16.921 1.00 33.05 H new ATOM 0 HB THR A 10 63.742 -22.194 16.816 1.00 53.43 H new ATOM 0 HG1 THR A 10 65.118 -21.672 18.728 1.00 13.43 H new ATOM 0 HG21 THR A 10 65.643 -22.414 15.262 1.00 1.43 H new ATOM 0 HG22 THR A 10 64.492 -21.179 14.699 1.00 1.43 H new ATOM 0 HG23 THR A 10 66.018 -20.687 15.472 1.00 1.43 H new ATOM 117 N ASP A 11 61.582 -20.339 16.782 1.00 22.24 N ATOM 118 CA ASP A 11 60.291 -20.145 16.153 1.00 52.52 C ATOM 119 C ASP A 11 59.591 -19.020 16.915 1.00 21.43 C ATOM 120 O ASP A 11 60.144 -18.514 17.904 1.00 1.43 O ATOM 121 CB ASP A 11 59.476 -21.463 16.215 1.00 60.33 C ATOM 122 CG ASP A 11 58.186 -21.440 15.411 1.00 32.54 C ATOM 123 OD1 ASP A 11 58.218 -21.723 14.199 1.00 11.52 O ATOM 124 OD2 ASP A 11 57.118 -21.163 15.975 1.00 72.40 O ATOM 0 H ASP A 11 61.547 -20.921 17.619 1.00 22.24 H new ATOM 0 HA ASP A 11 60.391 -19.877 15.101 1.00 52.52 H new ATOM 0 HB2 ASP A 11 60.101 -22.280 15.854 1.00 60.33 H new ATOM 0 HB3 ASP A 11 59.238 -21.680 17.256 1.00 60.33 H new ATOM 129 N GLY A 12 58.439 -18.607 16.478 1.00 24.21 N ATOM 130 CA GLY A 12 57.755 -17.543 17.136 1.00 13.41 C ATOM 131 C GLY A 12 56.303 -17.538 16.799 1.00 44.33 C ATOM 132 O GLY A 12 55.532 -18.338 17.333 1.00 44.55 O ATOM 0 H GLY A 12 57.955 -18.993 15.667 1.00 24.21 H new ATOM 0 HA2 GLY A 12 57.879 -17.641 18.214 1.00 13.41 H new ATOM 0 HA3 GLY A 12 58.200 -16.590 16.849 1.00 13.41 H new ATOM 136 N ALA A 13 55.925 -16.671 15.897 1.00 25.35 N ATOM 137 CA ALA A 13 54.558 -16.543 15.492 1.00 53.32 C ATOM 138 C ALA A 13 54.464 -16.129 14.043 1.00 12.11 C ATOM 139 O ALA A 13 54.761 -14.987 13.691 1.00 52.51 O ATOM 140 CB ALA A 13 53.828 -15.539 16.376 1.00 34.21 C ATOM 0 H ALA A 13 56.563 -16.032 15.423 1.00 25.35 H new ATOM 0 HA ALA A 13 54.081 -17.517 15.604 1.00 53.32 H new ATOM 0 HB1 ALA A 13 52.791 -15.456 16.052 1.00 34.21 H new ATOM 0 HB2 ALA A 13 53.859 -15.877 17.412 1.00 34.21 H new ATOM 0 HB3 ALA A 13 54.312 -14.565 16.297 1.00 34.21 H new ATOM 146 N VAL A 14 54.113 -17.062 13.194 1.00 54.25 N ATOM 147 CA VAL A 14 53.862 -16.744 11.814 1.00 44.45 C ATOM 148 C VAL A 14 52.402 -16.377 11.672 1.00 64.41 C ATOM 149 O VAL A 14 51.509 -17.215 11.891 1.00 53.45 O ATOM 150 CB VAL A 14 54.280 -17.878 10.812 1.00 44.03 C ATOM 151 CG1 VAL A 14 55.787 -18.019 10.791 1.00 13.21 C ATOM 152 CG2 VAL A 14 53.640 -19.226 11.153 1.00 42.41 C ATOM 0 H VAL A 14 53.995 -18.046 13.435 1.00 54.25 H new ATOM 0 HA VAL A 14 54.494 -15.900 11.540 1.00 44.45 H new ATOM 0 HB VAL A 14 53.918 -17.585 9.826 1.00 44.03 H new ATOM 0 HG11 VAL A 14 56.069 -18.808 10.093 1.00 13.21 H new ATOM 0 HG12 VAL A 14 56.236 -17.077 10.475 1.00 13.21 H new ATOM 0 HG13 VAL A 14 56.143 -18.273 11.789 1.00 13.21 H new ATOM 0 HG21 VAL A 14 53.962 -19.975 10.429 1.00 42.41 H new ATOM 0 HG22 VAL A 14 53.947 -19.532 12.153 1.00 42.41 H new ATOM 0 HG23 VAL A 14 52.555 -19.132 11.120 1.00 42.41 H new ATOM 162 N THR A 15 52.153 -15.129 11.396 1.00 62.35 N ATOM 163 CA THR A 15 50.824 -14.620 11.322 1.00 70.21 C ATOM 164 C THR A 15 49.978 -15.267 10.232 1.00 24.34 C ATOM 165 O THR A 15 50.155 -15.025 9.036 1.00 4.22 O ATOM 166 CB THR A 15 50.832 -13.104 11.237 1.00 71.00 C ATOM 167 OG1 THR A 15 51.967 -12.682 10.455 1.00 53.52 O ATOM 168 CG2 THR A 15 50.905 -12.494 12.629 1.00 33.25 C ATOM 0 H THR A 15 52.877 -14.434 11.215 1.00 62.35 H new ATOM 0 HA THR A 15 50.329 -14.900 12.252 1.00 70.21 H new ATOM 0 HB THR A 15 49.911 -12.766 10.762 1.00 71.00 H new ATOM 0 HG1 THR A 15 51.655 -12.239 9.638 1.00 53.52 H new ATOM 0 HG21 THR A 15 50.910 -11.407 12.550 1.00 33.25 H new ATOM 0 HG22 THR A 15 50.040 -12.812 13.211 1.00 33.25 H new ATOM 0 HG23 THR A 15 51.817 -12.826 13.124 1.00 33.25 H new ATOM 176 N THR A 16 49.114 -16.139 10.673 1.00 34.01 N ATOM 177 CA THR A 16 48.201 -16.829 9.849 1.00 62.33 C ATOM 178 C THR A 16 46.799 -16.303 10.160 1.00 62.33 C ATOM 179 O THR A 16 46.158 -16.710 11.142 1.00 4.14 O ATOM 180 CB THR A 16 48.291 -18.351 10.115 1.00 32.31 C ATOM 181 OG1 THR A 16 49.661 -18.784 9.931 1.00 45.44 O ATOM 182 CG2 THR A 16 47.379 -19.131 9.173 1.00 52.43 C ATOM 0 H THR A 16 49.036 -16.388 11.659 1.00 34.01 H new ATOM 0 HA THR A 16 48.433 -16.664 8.797 1.00 62.33 H new ATOM 0 HB THR A 16 47.967 -18.544 11.138 1.00 32.31 H new ATOM 0 HG1 THR A 16 50.231 -18.363 10.608 1.00 45.44 H new ATOM 0 HG21 THR A 16 47.464 -20.197 9.384 1.00 52.43 H new ATOM 0 HG22 THR A 16 46.347 -18.813 9.320 1.00 52.43 H new ATOM 0 HG23 THR A 16 47.674 -18.941 8.141 1.00 52.43 H new ATOM 190 N SER A 17 46.386 -15.336 9.397 1.00 53.04 N ATOM 191 CA SER A 17 45.095 -14.732 9.560 1.00 52.10 C ATOM 192 C SER A 17 44.200 -15.226 8.437 1.00 61.15 C ATOM 193 O SER A 17 44.487 -14.971 7.290 1.00 12.35 O ATOM 194 CB SER A 17 45.257 -13.210 9.503 1.00 13.42 C ATOM 195 OG SER A 17 46.258 -12.779 10.434 1.00 72.44 O ATOM 0 H SER A 17 46.939 -14.940 8.637 1.00 53.04 H new ATOM 0 HA SER A 17 44.647 -14.998 10.518 1.00 52.10 H new ATOM 0 HB2 SER A 17 45.534 -12.905 8.494 1.00 13.42 H new ATOM 0 HB3 SER A 17 44.307 -12.728 9.732 1.00 13.42 H new ATOM 0 HG SER A 17 46.352 -11.805 10.385 1.00 72.44 H new ATOM 201 N GLN A 18 43.155 -15.964 8.765 1.00 32.21 N ATOM 202 CA GLN A 18 42.261 -16.547 7.759 1.00 74.22 C ATOM 203 C GLN A 18 41.635 -15.472 6.886 1.00 44.22 C ATOM 204 O GLN A 18 41.072 -14.502 7.397 1.00 45.43 O ATOM 205 CB GLN A 18 41.180 -17.407 8.438 1.00 3.15 C ATOM 206 CG GLN A 18 40.180 -18.105 7.497 1.00 61.15 C ATOM 207 CD GLN A 18 40.851 -18.985 6.451 1.00 34.22 C ATOM 208 OE1 GLN A 18 41.142 -20.148 6.696 1.00 45.24 O ATOM 209 NE2 GLN A 18 41.008 -18.478 5.261 1.00 0.13 N ATOM 0 H GLN A 18 42.896 -16.180 9.728 1.00 32.21 H new ATOM 0 HA GLN A 18 42.855 -17.190 7.109 1.00 74.22 H new ATOM 0 HB2 GLN A 18 41.675 -18.170 9.039 1.00 3.15 H new ATOM 0 HB3 GLN A 18 40.619 -16.774 9.126 1.00 3.15 H new ATOM 0 HG2 GLN A 18 39.498 -18.714 8.090 1.00 61.15 H new ATOM 0 HG3 GLN A 18 39.577 -17.349 6.993 1.00 61.15 H new ATOM 0 HE21 GLN A 18 40.757 -17.505 5.084 1.00 0.13 H new ATOM 0 HE22 GLN A 18 41.382 -19.054 4.507 1.00 0.13 H new ATOM 218 N ILE A 19 41.797 -15.637 5.568 1.00 44.01 N ATOM 219 CA ILE A 19 41.227 -14.732 4.571 1.00 23.43 C ATOM 220 C ILE A 19 39.725 -14.619 4.835 1.00 41.50 C ATOM 221 O ILE A 19 39.045 -15.651 4.954 1.00 14.42 O ATOM 222 CB ILE A 19 41.426 -15.291 3.130 1.00 12.45 C ATOM 223 CG1 ILE A 19 42.899 -15.610 2.854 1.00 22.44 C ATOM 224 CG2 ILE A 19 40.882 -14.314 2.078 1.00 51.15 C ATOM 225 CD1 ILE A 19 43.149 -16.260 1.502 1.00 62.31 C ATOM 0 H ILE A 19 42.330 -16.407 5.164 1.00 44.01 H new ATOM 0 HA ILE A 19 41.724 -13.765 4.646 1.00 23.43 H new ATOM 0 HB ILE A 19 40.860 -16.220 3.060 1.00 12.45 H new ATOM 0 HG12 ILE A 19 43.477 -14.688 2.915 1.00 22.44 H new ATOM 0 HG13 ILE A 19 43.270 -16.271 3.637 1.00 22.44 H new ATOM 0 HG21 ILE A 19 41.034 -14.730 1.082 1.00 51.15 H new ATOM 0 HG22 ILE A 19 39.817 -14.155 2.246 1.00 51.15 H new ATOM 0 HG23 ILE A 19 41.408 -13.363 2.158 1.00 51.15 H new ATOM 0 HD11 ILE A 19 44.215 -16.454 1.383 1.00 62.31 H new ATOM 0 HD12 ILE A 19 42.600 -17.200 1.443 1.00 62.31 H new ATOM 0 HD13 ILE A 19 42.811 -15.593 0.709 1.00 62.31 H new ATOM 237 N PRO A 20 39.201 -13.394 4.960 1.00 42.12 N ATOM 238 CA PRO A 20 37.795 -13.170 5.267 1.00 24.14 C ATOM 239 C PRO A 20 36.868 -13.808 4.235 1.00 41.43 C ATOM 240 O PRO A 20 36.932 -13.485 3.028 1.00 54.35 O ATOM 241 CB PRO A 20 37.642 -11.648 5.277 1.00 53.30 C ATOM 242 CG PRO A 20 38.866 -11.119 4.611 1.00 1.42 C ATOM 243 CD PRO A 20 39.940 -12.134 4.814 1.00 14.14 C ATOM 0 HA PRO A 20 37.516 -13.627 6.217 1.00 24.14 H new ATOM 0 HB2 PRO A 20 36.742 -11.341 4.744 1.00 53.30 H new ATOM 0 HB3 PRO A 20 37.555 -11.269 6.295 1.00 53.30 H new ATOM 0 HG2 PRO A 20 38.687 -10.953 3.549 1.00 1.42 H new ATOM 0 HG3 PRO A 20 39.155 -10.159 5.039 1.00 1.42 H new ATOM 0 HD2 PRO A 20 40.626 -12.167 3.967 1.00 14.14 H new ATOM 0 HD3 PRO A 20 40.537 -11.914 5.699 1.00 14.14 H new ATOM 251 N ALA A 21 36.052 -14.732 4.723 1.00 65.43 N ATOM 252 CA ALA A 21 35.091 -15.492 3.939 1.00 14.44 C ATOM 253 C ALA A 21 35.764 -16.266 2.823 1.00 3.11 C ATOM 254 O ALA A 21 35.747 -15.867 1.652 1.00 3.25 O ATOM 255 CB ALA A 21 33.954 -14.626 3.419 1.00 30.13 C ATOM 0 H ALA A 21 36.041 -14.981 5.712 1.00 65.43 H new ATOM 0 HA ALA A 21 34.643 -16.221 4.615 1.00 14.44 H new ATOM 0 HB1 ALA A 21 33.264 -15.240 2.840 1.00 30.13 H new ATOM 0 HB2 ALA A 21 33.424 -14.178 4.260 1.00 30.13 H new ATOM 0 HB3 ALA A 21 34.358 -13.838 2.784 1.00 30.13 H new ATOM 261 N SER A 22 36.412 -17.329 3.188 1.00 30.10 N ATOM 262 CA SER A 22 37.066 -18.157 2.233 1.00 45.52 C ATOM 263 C SER A 22 36.209 -19.351 1.887 1.00 75.41 C ATOM 264 O SER A 22 36.284 -20.405 2.518 1.00 42.35 O ATOM 265 CB SER A 22 38.422 -18.608 2.722 1.00 50.13 C ATOM 266 OG SER A 22 39.240 -17.499 3.028 1.00 10.35 O ATOM 0 H SER A 22 36.500 -17.643 4.154 1.00 30.10 H new ATOM 0 HA SER A 22 37.218 -17.561 1.333 1.00 45.52 H new ATOM 0 HB2 SER A 22 38.305 -19.234 3.607 1.00 50.13 H new ATOM 0 HB3 SER A 22 38.903 -19.221 1.960 1.00 50.13 H new ATOM 0 HG SER A 22 38.883 -17.036 3.814 1.00 10.35 H new ATOM 272 N GLU A 23 35.348 -19.148 0.952 1.00 72.13 N ATOM 273 CA GLU A 23 34.514 -20.205 0.437 1.00 51.30 C ATOM 274 C GLU A 23 35.183 -20.728 -0.800 1.00 35.14 C ATOM 275 O GLU A 23 35.162 -21.927 -1.113 1.00 1.53 O ATOM 276 CB GLU A 23 33.114 -19.692 0.132 1.00 40.41 C ATOM 277 CG GLU A 23 32.437 -19.053 1.333 1.00 65.24 C ATOM 278 CD GLU A 23 31.042 -18.601 1.032 1.00 41.23 C ATOM 279 OE1 GLU A 23 30.862 -17.490 0.502 1.00 12.14 O ATOM 280 OE2 GLU A 23 30.096 -19.353 1.316 1.00 64.50 O ATOM 0 H GLU A 23 35.193 -18.241 0.512 1.00 72.13 H new ATOM 0 HA GLU A 23 34.399 -21.001 1.173 1.00 51.30 H new ATOM 0 HB2 GLU A 23 33.169 -18.963 -0.677 1.00 40.41 H new ATOM 0 HB3 GLU A 23 32.501 -20.519 -0.226 1.00 40.41 H new ATOM 0 HG2 GLU A 23 32.414 -19.767 2.156 1.00 65.24 H new ATOM 0 HG3 GLU A 23 33.028 -18.200 1.668 1.00 65.24 H new ATOM 287 N GLN A 24 35.816 -19.817 -1.454 1.00 53.33 N ATOM 288 CA GLN A 24 36.608 -20.060 -2.616 1.00 25.11 C ATOM 289 C GLN A 24 38.014 -19.612 -2.331 1.00 21.45 C ATOM 290 O GLN A 24 38.283 -18.418 -2.244 1.00 14.43 O ATOM 291 CB GLN A 24 36.088 -19.290 -3.827 1.00 75.42 C ATOM 292 CG GLN A 24 34.734 -19.720 -4.317 1.00 1.02 C ATOM 293 CD GLN A 24 34.307 -18.941 -5.527 1.00 43.30 C ATOM 294 OE1 GLN A 24 33.659 -17.899 -5.418 1.00 22.24 O ATOM 295 NE2 GLN A 24 34.672 -19.419 -6.686 1.00 2.23 N ATOM 0 H GLN A 24 35.796 -18.834 -1.182 1.00 53.33 H new ATOM 0 HA GLN A 24 36.564 -21.124 -2.846 1.00 25.11 H new ATOM 0 HB2 GLN A 24 36.047 -18.230 -3.575 1.00 75.42 H new ATOM 0 HB3 GLN A 24 36.804 -19.397 -4.642 1.00 75.42 H new ATOM 0 HG2 GLN A 24 34.755 -20.783 -4.558 1.00 1.02 H new ATOM 0 HG3 GLN A 24 34.000 -19.588 -3.522 1.00 1.02 H new ATOM 0 HE21 GLN A 24 35.208 -20.285 -6.734 1.00 2.23 H new ATOM 0 HE22 GLN A 24 34.421 -18.926 -7.543 1.00 2.23 H new ATOM 304 N GLU A 25 38.884 -20.545 -2.116 1.00 20.02 N ATOM 305 CA GLU A 25 40.265 -20.224 -1.930 1.00 11.33 C ATOM 306 C GLU A 25 40.928 -20.241 -3.289 1.00 22.14 C ATOM 307 O GLU A 25 40.845 -21.256 -4.002 1.00 34.32 O ATOM 308 CB GLU A 25 40.932 -21.210 -0.969 1.00 63.05 C ATOM 309 CG GLU A 25 40.443 -21.118 0.468 1.00 74.12 C ATOM 310 CD GLU A 25 41.124 -22.117 1.371 1.00 42.43 C ATOM 311 OE1 GLU A 25 42.208 -21.821 1.920 1.00 53.42 O ATOM 312 OE2 GLU A 25 40.599 -23.233 1.535 1.00 41.50 O ATOM 0 H GLU A 25 38.663 -21.540 -2.064 1.00 20.02 H new ATOM 0 HA GLU A 25 40.368 -19.236 -1.480 1.00 11.33 H new ATOM 0 HB2 GLU A 25 40.763 -22.223 -1.333 1.00 63.05 H new ATOM 0 HB3 GLU A 25 42.009 -21.041 -0.985 1.00 63.05 H new ATOM 0 HG2 GLU A 25 40.620 -20.111 0.846 1.00 74.12 H new ATOM 0 HG3 GLU A 25 39.366 -21.284 0.494 1.00 74.12 H new ATOM 319 N THR A 26 41.519 -19.128 -3.668 1.00 51.52 N ATOM 320 CA THR A 26 42.155 -18.987 -4.955 1.00 53.31 C ATOM 321 C THR A 26 43.409 -19.848 -5.035 1.00 53.35 C ATOM 322 O THR A 26 44.433 -19.546 -4.418 1.00 30.52 O ATOM 323 CB THR A 26 42.520 -17.520 -5.236 1.00 42.31 C ATOM 324 OG1 THR A 26 41.353 -16.693 -5.047 1.00 20.15 O ATOM 325 CG2 THR A 26 43.018 -17.371 -6.667 1.00 70.41 C ATOM 0 H THR A 26 41.571 -18.292 -3.086 1.00 51.52 H new ATOM 0 HA THR A 26 41.443 -19.321 -5.710 1.00 53.31 H new ATOM 0 HB THR A 26 43.308 -17.210 -4.550 1.00 42.31 H new ATOM 0 HG1 THR A 26 41.583 -15.757 -5.224 1.00 20.15 H new ATOM 0 HG21 THR A 26 43.274 -16.329 -6.856 1.00 70.41 H new ATOM 0 HG22 THR A 26 43.901 -17.994 -6.812 1.00 70.41 H new ATOM 0 HG23 THR A 26 42.236 -17.684 -7.359 1.00 70.41 H new ATOM 333 N LEU A 27 43.323 -20.902 -5.781 1.00 5.11 N ATOM 334 CA LEU A 27 44.403 -21.831 -5.890 1.00 60.50 C ATOM 335 C LEU A 27 45.199 -21.560 -7.131 1.00 75.55 C ATOM 336 O LEU A 27 44.639 -21.353 -8.212 1.00 13.21 O ATOM 337 CB LEU A 27 43.886 -23.267 -5.890 1.00 70.13 C ATOM 338 CG LEU A 27 43.138 -23.715 -4.632 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.630 -25.138 -4.786 1.00 0.21 C ATOM 340 CD2 LEU A 27 44.030 -23.603 -3.407 1.00 40.21 C ATOM 0 H LEU A 27 42.500 -21.144 -6.333 1.00 5.11 H new ATOM 0 HA LEU A 27 45.053 -21.704 -5.024 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.223 -23.393 -6.746 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.733 -23.936 -6.042 1.00 70.13 H new ATOM 0 HG LEU A 27 42.281 -23.055 -4.497 1.00 24.53 H new ATOM 0 HD11 LEU A 27 42.102 -25.436 -3.880 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.951 -25.192 -5.637 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.473 -25.809 -4.952 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.478 -23.926 -2.524 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.908 -24.235 -3.538 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.344 -22.567 -3.279 1.00 40.21 H new ATOM 352 N VAL A 28 46.482 -21.546 -6.985 1.00 40.25 N ATOM 353 CA VAL A 28 47.378 -21.329 -8.091 1.00 11.42 C ATOM 354 C VAL A 28 47.923 -22.659 -8.552 1.00 51.22 C ATOM 355 O VAL A 28 47.965 -23.625 -7.774 1.00 23.41 O ATOM 356 CB VAL A 28 48.553 -20.369 -7.701 1.00 72.31 C ATOM 357 CG1 VAL A 28 48.008 -19.051 -7.168 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.509 -21.000 -6.686 1.00 61.10 C ATOM 0 H VAL A 28 46.951 -21.685 -6.090 1.00 40.25 H new ATOM 0 HA VAL A 28 46.823 -20.853 -8.899 1.00 11.42 H new ATOM 0 HB VAL A 28 49.127 -20.180 -8.608 1.00 72.31 H new ATOM 0 HG11 VAL A 28 48.837 -18.396 -6.902 1.00 1.12 H new ATOM 0 HG12 VAL A 28 47.399 -18.572 -7.935 1.00 1.12 H new ATOM 0 HG13 VAL A 28 47.397 -19.240 -6.285 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.305 -20.295 -6.449 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.962 -21.249 -5.777 1.00 61.10 H new ATOM 0 HG23 VAL A 28 49.942 -21.907 -7.109 1.00 61.10 H new ATOM 368 N ARG A 29 48.276 -22.728 -9.809 1.00 35.24 N ATOM 369 CA ARG A 29 48.886 -23.914 -10.374 1.00 74.24 C ATOM 370 C ARG A 29 50.375 -23.666 -10.413 1.00 40.32 C ATOM 371 O ARG A 29 50.846 -23.016 -11.330 1.00 20.51 O ATOM 372 CB ARG A 29 48.417 -24.134 -11.812 1.00 11.01 C ATOM 373 CG ARG A 29 46.940 -24.361 -12.024 1.00 63.52 C ATOM 374 CD ARG A 29 46.477 -25.687 -11.466 1.00 40.33 C ATOM 375 NE ARG A 29 45.070 -25.919 -11.800 1.00 65.21 N ATOM 376 CZ ARG A 29 44.284 -26.893 -11.332 1.00 15.23 C ATOM 377 NH1 ARG A 29 44.754 -27.811 -10.491 1.00 52.24 N ATOM 378 NH2 ARG A 29 43.021 -26.953 -11.723 1.00 32.15 N ATOM 0 H ARG A 29 48.151 -21.965 -10.475 1.00 35.24 H new ATOM 0 HA ARG A 29 48.618 -24.785 -9.776 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.714 -23.267 -12.402 1.00 11.01 H new ATOM 0 HB3 ARG A 29 48.953 -24.993 -12.215 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.379 -23.555 -11.551 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.718 -24.321 -13.090 1.00 63.52 H new ATOM 0 HD2 ARG A 29 47.091 -26.493 -11.869 1.00 40.33 H new ATOM 0 HD3 ARG A 29 46.607 -25.699 -10.384 1.00 40.33 H new ATOM 0 HE ARG A 29 44.645 -25.268 -12.460 1.00 65.21 H new ATOM 0 HH11 ARG A 29 45.729 -27.778 -10.193 1.00 52.24 H new ATOM 0 HH12 ARG A 29 44.139 -28.547 -10.144 1.00 52.24 H new ATOM 0 HH21 ARG A 29 42.656 -26.260 -12.376 1.00 32.15 H new ATOM 0 HH22 ARG A 29 42.413 -27.693 -11.372 1.00 32.15 H new ATOM 392 N PRO A 30 51.131 -24.112 -9.423 1.00 1.41 N ATOM 393 CA PRO A 30 52.546 -23.839 -9.366 1.00 43.14 C ATOM 394 C PRO A 30 53.324 -24.689 -10.352 1.00 24.23 C ATOM 395 O PRO A 30 53.129 -25.905 -10.434 1.00 23.12 O ATOM 396 CB PRO A 30 52.941 -24.202 -7.917 1.00 54.02 C ATOM 397 CG PRO A 30 51.660 -24.534 -7.222 1.00 53.23 C ATOM 398 CD PRO A 30 50.702 -24.934 -8.295 1.00 55.33 C ATOM 0 HA PRO A 30 52.769 -22.804 -9.627 1.00 43.14 H new ATOM 0 HB2 PRO A 30 53.628 -25.048 -7.898 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.448 -23.370 -7.429 1.00 54.02 H new ATOM 0 HG2 PRO A 30 51.803 -25.343 -6.505 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.285 -23.676 -6.664 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.767 -25.998 -8.521 1.00 55.33 H new ATOM 0 HD3 PRO A 30 49.669 -24.730 -8.014 1.00 55.33 H new ATOM 406 N LYS A 31 54.166 -24.043 -11.128 1.00 71.41 N ATOM 407 CA LYS A 31 55.063 -24.723 -12.039 1.00 13.12 C ATOM 408 C LYS A 31 56.045 -25.588 -11.229 1.00 60.43 C ATOM 409 O LYS A 31 56.210 -25.356 -10.018 1.00 12.54 O ATOM 410 CB LYS A 31 55.806 -23.685 -12.910 1.00 45.42 C ATOM 411 CG LYS A 31 54.898 -22.959 -13.888 1.00 33.03 C ATOM 412 CD LYS A 31 55.645 -21.918 -14.695 1.00 44.22 C ATOM 413 CE LYS A 31 54.691 -21.152 -15.600 1.00 72.11 C ATOM 414 NZ LYS A 31 55.359 -20.064 -16.332 1.00 53.45 N ATOM 0 H LYS A 31 54.249 -23.027 -11.146 1.00 71.41 H new ATOM 0 HA LYS A 31 54.500 -25.376 -12.706 1.00 13.12 H new ATOM 0 HB2 LYS A 31 56.287 -22.954 -12.260 1.00 45.42 H new ATOM 0 HB3 LYS A 31 56.598 -24.188 -13.465 1.00 45.42 H new ATOM 0 HG2 LYS A 31 54.442 -23.682 -14.564 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.087 -22.479 -13.341 1.00 33.03 H new ATOM 0 HD2 LYS A 31 56.152 -21.225 -14.023 1.00 44.22 H new ATOM 0 HD3 LYS A 31 56.416 -22.401 -15.296 1.00 44.22 H new ATOM 0 HE2 LYS A 31 54.240 -21.842 -16.313 1.00 72.11 H new ATOM 0 HE3 LYS A 31 53.880 -20.738 -15.000 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 54.902 -19.937 -17.258 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 55.286 -19.182 -15.786 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 56.362 -20.303 -16.471 1.00 53.45 H new ATOM 428 N PRO A 32 56.725 -26.579 -11.866 1.00 4.31 N ATOM 429 CA PRO A 32 57.651 -27.529 -11.198 1.00 5.12 C ATOM 430 C PRO A 32 58.677 -26.869 -10.282 1.00 74.20 C ATOM 431 O PRO A 32 59.140 -27.487 -9.326 1.00 50.13 O ATOM 432 CB PRO A 32 58.362 -28.207 -12.374 1.00 54.05 C ATOM 433 CG PRO A 32 58.068 -27.325 -13.519 1.00 52.24 C ATOM 434 CD PRO A 32 56.669 -26.889 -13.293 1.00 71.25 C ATOM 0 HA PRO A 32 57.103 -28.202 -10.539 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.435 -28.291 -12.199 1.00 54.05 H new ATOM 0 HB3 PRO A 32 57.987 -29.217 -12.540 1.00 54.05 H new ATOM 0 HG2 PRO A 32 58.750 -26.475 -13.552 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.172 -27.854 -14.466 1.00 52.24 H new ATOM 0 HD2 PRO A 32 56.400 -26.022 -13.897 1.00 71.25 H new ATOM 0 HD3 PRO A 32 55.947 -27.673 -13.521 1.00 71.25 H new ATOM 442 N LEU A 33 59.013 -25.619 -10.569 1.00 43.22 N ATOM 443 CA LEU A 33 59.959 -24.865 -9.765 1.00 61.34 C ATOM 444 C LEU A 33 59.386 -24.677 -8.352 1.00 33.42 C ATOM 445 O LEU A 33 60.039 -24.955 -7.337 1.00 21.42 O ATOM 446 CB LEU A 33 60.233 -23.490 -10.409 1.00 61.22 C ATOM 447 CG LEU A 33 60.675 -23.499 -11.881 1.00 51.04 C ATOM 448 CD1 LEU A 33 60.915 -22.087 -12.381 1.00 51.51 C ATOM 449 CD2 LEU A 33 61.917 -24.350 -12.073 1.00 21.44 C ATOM 0 H LEU A 33 58.637 -25.102 -11.364 1.00 43.22 H new ATOM 0 HA LEU A 33 60.899 -25.414 -9.708 1.00 61.34 H new ATOM 0 HB2 LEU A 33 59.327 -22.889 -10.328 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.003 -22.987 -9.824 1.00 61.22 H new ATOM 0 HG LEU A 33 59.869 -23.939 -12.468 1.00 51.04 H new ATOM 0 HD11 LEU A 33 61.227 -22.119 -13.425 1.00 51.51 H new ATOM 0 HD12 LEU A 33 59.995 -21.509 -12.295 1.00 51.51 H new ATOM 0 HD13 LEU A 33 61.696 -21.617 -11.783 1.00 51.51 H new ATOM 0 HD21 LEU A 33 62.207 -24.338 -13.124 1.00 21.44 H new ATOM 0 HD22 LEU A 33 62.730 -23.949 -11.468 1.00 21.44 H new ATOM 0 HD23 LEU A 33 61.707 -25.375 -11.766 1.00 21.44 H new ATOM 461 N LEU A 34 58.142 -24.273 -8.299 1.00 3.45 N ATOM 462 CA LEU A 34 57.485 -24.070 -7.040 1.00 64.14 C ATOM 463 C LEU A 34 57.101 -25.396 -6.440 1.00 22.24 C ATOM 464 O LEU A 34 57.277 -25.600 -5.259 1.00 75.12 O ATOM 465 CB LEU A 34 56.279 -23.119 -7.147 1.00 35.35 C ATOM 466 CG LEU A 34 56.576 -21.601 -7.149 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.537 -21.206 -8.256 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.283 -20.806 -7.259 1.00 52.54 C ATOM 0 H LEU A 34 57.565 -24.079 -9.118 1.00 3.45 H new ATOM 0 HA LEU A 34 58.192 -23.577 -6.372 1.00 64.14 H new ATOM 0 HB2 LEU A 34 55.739 -23.359 -8.063 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.606 -23.331 -6.316 1.00 35.35 H new ATOM 0 HG LEU A 34 57.060 -21.365 -6.201 1.00 62.21 H new ATOM 0 HD11 LEU A 34 57.715 -20.131 -8.217 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.481 -21.735 -8.124 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.106 -21.468 -9.222 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.510 -19.740 -7.259 1.00 52.54 H new ATOM 0 HD22 LEU A 34 54.772 -21.068 -8.186 1.00 52.54 H new ATOM 0 HD23 LEU A 34 54.639 -21.040 -6.411 1.00 52.54 H new ATOM 480 N LEU A 35 56.642 -26.320 -7.279 1.00 65.12 N ATOM 481 CA LEU A 35 56.265 -27.655 -6.820 1.00 5.32 C ATOM 482 C LEU A 35 57.407 -28.355 -6.114 1.00 54.41 C ATOM 483 O LEU A 35 57.205 -28.967 -5.063 1.00 53.44 O ATOM 484 CB LEU A 35 55.767 -28.524 -7.959 1.00 2.42 C ATOM 485 CG LEU A 35 54.442 -28.116 -8.582 1.00 12.12 C ATOM 486 CD1 LEU A 35 54.110 -29.051 -9.707 1.00 24.24 C ATOM 487 CD2 LEU A 35 53.324 -28.128 -7.544 1.00 71.40 C ATOM 0 H LEU A 35 56.522 -26.170 -8.281 1.00 65.12 H new ATOM 0 HA LEU A 35 55.452 -27.510 -6.108 1.00 5.32 H new ATOM 0 HB2 LEU A 35 56.526 -28.532 -8.741 1.00 2.42 H new ATOM 0 HB3 LEU A 35 55.674 -29.547 -7.595 1.00 2.42 H new ATOM 0 HG LEU A 35 54.535 -27.100 -8.966 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.160 -28.759 -10.154 1.00 24.24 H new ATOM 0 HD12 LEU A 35 54.895 -29.006 -10.461 1.00 24.24 H new ATOM 0 HD13 LEU A 35 54.033 -30.069 -9.324 1.00 24.24 H new ATOM 0 HD21 LEU A 35 52.387 -27.832 -8.015 1.00 71.40 H new ATOM 0 HD22 LEU A 35 53.222 -29.132 -7.131 1.00 71.40 H new ATOM 0 HD23 LEU A 35 53.564 -27.429 -6.743 1.00 71.40 H new ATOM 499 N LYS A 36 58.615 -28.228 -6.657 1.00 42.34 N ATOM 500 CA LYS A 36 59.760 -28.878 -6.063 1.00 34.14 C ATOM 501 C LYS A 36 60.073 -28.263 -4.710 1.00 62.12 C ATOM 502 O LYS A 36 60.372 -28.983 -3.763 1.00 31.42 O ATOM 503 CB LYS A 36 61.009 -28.856 -6.980 1.00 22.41 C ATOM 504 CG LYS A 36 61.665 -27.501 -7.143 1.00 43.13 C ATOM 505 CD LYS A 36 62.909 -27.566 -7.995 1.00 75.31 C ATOM 506 CE LYS A 36 63.569 -26.202 -8.071 1.00 21.21 C ATOM 507 NZ LYS A 36 64.824 -26.231 -8.839 1.00 23.02 N ATOM 0 H LYS A 36 58.817 -27.686 -7.497 1.00 42.34 H new ATOM 0 HA LYS A 36 59.495 -29.927 -5.928 1.00 34.14 H new ATOM 0 HB2 LYS A 36 61.746 -29.553 -6.580 1.00 22.41 H new ATOM 0 HB3 LYS A 36 60.723 -29.224 -7.965 1.00 22.41 H new ATOM 0 HG2 LYS A 36 60.955 -26.808 -7.593 1.00 43.13 H new ATOM 0 HG3 LYS A 36 61.920 -27.103 -6.161 1.00 43.13 H new ATOM 0 HD2 LYS A 36 63.606 -28.292 -7.577 1.00 75.31 H new ATOM 0 HD3 LYS A 36 62.654 -27.910 -8.997 1.00 75.31 H new ATOM 0 HE2 LYS A 36 62.881 -25.493 -8.531 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.771 -25.842 -7.062 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.238 -25.277 -8.863 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 65.492 -26.887 -8.387 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 64.630 -26.549 -9.810 1.00 23.02 H new ATOM 521 N LEU A 37 59.937 -26.936 -4.590 1.00 21.34 N ATOM 522 CA LEU A 37 60.250 -26.298 -3.327 1.00 4.13 C ATOM 523 C LEU A 37 59.169 -26.613 -2.304 1.00 55.22 C ATOM 524 O LEU A 37 59.467 -26.901 -1.156 1.00 44.31 O ATOM 525 CB LEU A 37 60.530 -24.765 -3.480 1.00 20.40 C ATOM 526 CG LEU A 37 59.366 -23.793 -3.799 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.560 -23.429 -2.545 1.00 0.31 C ATOM 528 CD2 LEU A 37 59.892 -22.540 -4.480 1.00 24.22 C ATOM 0 H LEU A 37 59.622 -26.310 -5.331 1.00 21.34 H new ATOM 0 HA LEU A 37 61.187 -26.714 -2.955 1.00 4.13 H new ATOM 0 HB2 LEU A 37 60.991 -24.425 -2.552 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.275 -24.648 -4.267 1.00 20.40 H new ATOM 0 HG LEU A 37 58.688 -24.308 -4.480 1.00 70.33 H new ATOM 0 HD11 LEU A 37 57.755 -22.746 -2.816 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.137 -24.334 -2.109 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.215 -22.948 -1.818 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.062 -21.868 -4.697 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.602 -22.039 -3.822 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.390 -22.813 -5.410 1.00 24.22 H new ATOM 540 N LEU A 38 57.918 -26.625 -2.761 1.00 2.01 N ATOM 541 CA LEU A 38 56.770 -26.914 -1.917 1.00 62.52 C ATOM 542 C LEU A 38 56.871 -28.316 -1.344 1.00 61.11 C ATOM 543 O LEU A 38 56.772 -28.521 -0.135 1.00 21.21 O ATOM 544 CB LEU A 38 55.452 -26.773 -2.709 1.00 42.14 C ATOM 545 CG LEU A 38 55.104 -25.378 -3.254 1.00 23.53 C ATOM 546 CD1 LEU A 38 53.860 -25.439 -4.121 1.00 63.33 C ATOM 547 CD2 LEU A 38 54.907 -24.380 -2.128 1.00 34.23 C ATOM 0 H LEU A 38 57.676 -26.433 -3.733 1.00 2.01 H new ATOM 0 HA LEU A 38 56.767 -26.192 -1.101 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.488 -27.465 -3.551 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.635 -27.097 -2.065 1.00 42.14 H new ATOM 0 HG LEU A 38 55.943 -25.042 -3.863 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.630 -24.442 -4.497 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.034 -26.113 -4.960 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.022 -25.806 -3.529 1.00 63.33 H new ATOM 0 HD21 LEU A 38 54.662 -23.404 -2.546 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.093 -24.714 -1.484 1.00 34.23 H new ATOM 0 HD23 LEU A 38 55.824 -24.305 -1.544 1.00 34.23 H new ATOM 559 N LYS A 39 57.137 -29.278 -2.191 1.00 4.41 N ATOM 560 CA LYS A 39 57.157 -30.653 -1.756 1.00 72.50 C ATOM 561 C LYS A 39 58.407 -30.974 -0.968 1.00 71.11 C ATOM 562 O LYS A 39 58.471 -31.992 -0.290 1.00 23.23 O ATOM 563 CB LYS A 39 56.926 -31.612 -2.922 1.00 34.33 C ATOM 564 CG LYS A 39 55.572 -31.395 -3.583 1.00 51.34 C ATOM 565 CD LYS A 39 55.306 -32.381 -4.699 1.00 50.31 C ATOM 566 CE LYS A 39 53.973 -32.084 -5.362 1.00 14.03 C ATOM 567 NZ LYS A 39 53.618 -33.075 -6.402 1.00 31.25 N ATOM 0 H LYS A 39 57.342 -29.137 -3.180 1.00 4.41 H new ATOM 0 HA LYS A 39 56.322 -30.796 -1.070 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.715 -31.479 -3.662 1.00 34.33 H new ATOM 0 HB3 LYS A 39 56.994 -32.639 -2.565 1.00 34.33 H new ATOM 0 HG2 LYS A 39 54.787 -31.481 -2.832 1.00 51.34 H new ATOM 0 HG3 LYS A 39 55.524 -30.381 -3.980 1.00 51.34 H new ATOM 0 HD2 LYS A 39 56.106 -32.329 -5.437 1.00 50.31 H new ATOM 0 HD3 LYS A 39 55.304 -33.396 -4.303 1.00 50.31 H new ATOM 0 HE2 LYS A 39 53.191 -32.064 -4.603 1.00 14.03 H new ATOM 0 HE3 LYS A 39 54.008 -31.091 -5.810 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 52.623 -32.948 -6.677 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 54.227 -32.939 -7.234 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 53.754 -34.036 -6.027 1.00 31.25 H new ATOM 581 N SER A 40 59.382 -30.089 -1.020 1.00 51.14 N ATOM 582 CA SER A 40 60.574 -30.251 -0.238 1.00 42.10 C ATOM 583 C SER A 40 60.449 -29.542 1.121 1.00 14.45 C ATOM 584 O SER A 40 61.346 -29.620 1.956 1.00 42.43 O ATOM 585 CB SER A 40 61.791 -29.764 -1.005 1.00 12.23 C ATOM 586 OG SER A 40 61.926 -30.487 -2.231 1.00 61.15 O ATOM 0 H SER A 40 59.365 -29.250 -1.600 1.00 51.14 H new ATOM 0 HA SER A 40 60.706 -31.315 -0.040 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.696 -28.698 -1.212 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.687 -29.893 -0.398 1.00 12.23 H new ATOM 0 HG SER A 40 61.543 -29.962 -2.964 1.00 61.15 H new ATOM 592 N VAL A 41 59.342 -28.834 1.336 1.00 11.22 N ATOM 593 CA VAL A 41 59.120 -28.177 2.615 1.00 71.41 C ATOM 594 C VAL A 41 57.914 -28.752 3.342 1.00 64.32 C ATOM 595 O VAL A 41 57.471 -28.214 4.356 1.00 51.12 O ATOM 596 CB VAL A 41 59.030 -26.624 2.519 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.349 -26.042 2.041 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.902 -26.185 1.608 1.00 74.11 C ATOM 0 H VAL A 41 58.598 -28.704 0.651 1.00 11.22 H new ATOM 0 HA VAL A 41 60.011 -28.390 3.206 1.00 71.41 H new ATOM 0 HB VAL A 41 58.818 -26.245 3.519 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.267 -24.957 1.980 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.139 -26.307 2.743 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.588 -26.444 1.056 1.00 44.32 H new ATOM 0 HG21 VAL A 41 57.871 -25.096 1.566 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.068 -26.582 0.606 1.00 74.11 H new ATOM 0 HG23 VAL A 41 56.955 -26.561 1.995 1.00 74.11 H new ATOM 608 N GLY A 42 57.417 -29.866 2.841 1.00 13.41 N ATOM 609 CA GLY A 42 56.338 -30.563 3.507 1.00 34.34 C ATOM 610 C GLY A 42 54.962 -30.258 2.962 1.00 74.23 C ATOM 611 O GLY A 42 53.996 -30.218 3.720 1.00 22.34 O ATOM 0 H GLY A 42 57.742 -30.305 1.979 1.00 13.41 H new ATOM 0 HA2 GLY A 42 56.515 -31.636 3.432 1.00 34.34 H new ATOM 0 HA3 GLY A 42 56.359 -30.310 4.567 1.00 34.34 H new ATOM 615 N ALA A 43 54.863 -30.032 1.669 1.00 52.43 N ATOM 616 CA ALA A 43 53.567 -29.796 1.045 1.00 31.35 C ATOM 617 C ALA A 43 52.784 -31.094 0.899 1.00 13.11 C ATOM 618 O ALA A 43 53.363 -32.195 0.832 1.00 2.23 O ATOM 619 CB ALA A 43 53.716 -29.130 -0.306 1.00 2.41 C ATOM 0 H ALA A 43 55.656 -30.006 1.028 1.00 52.43 H new ATOM 0 HA ALA A 43 53.013 -29.124 1.701 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.730 -28.969 -0.743 1.00 2.41 H new ATOM 0 HB2 ALA A 43 54.221 -28.171 -0.185 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.304 -29.769 -0.964 1.00 2.41 H new ATOM 625 N GLN A 44 51.486 -30.970 0.861 1.00 11.11 N ATOM 626 CA GLN A 44 50.592 -32.111 0.738 1.00 14.10 C ATOM 627 C GLN A 44 49.663 -31.963 -0.458 1.00 41.31 C ATOM 628 O GLN A 44 49.048 -32.935 -0.904 1.00 14.35 O ATOM 629 CB GLN A 44 49.777 -32.280 2.009 1.00 34.11 C ATOM 630 CG GLN A 44 50.617 -32.587 3.220 1.00 12.52 C ATOM 631 CD GLN A 44 49.790 -32.738 4.477 1.00 43.54 C ATOM 632 OE1 GLN A 44 49.335 -33.838 4.816 1.00 52.22 O ATOM 633 NE2 GLN A 44 49.585 -31.654 5.170 1.00 5.12 N ATOM 0 H GLN A 44 51.006 -30.072 0.914 1.00 11.11 H new ATOM 0 HA GLN A 44 51.205 -32.998 0.582 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.209 -31.368 2.192 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.054 -33.083 1.864 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.178 -33.505 3.046 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.347 -31.790 3.363 1.00 12.52 H new ATOM 0 HE21 GLN A 44 49.978 -30.766 4.856 1.00 5.12 H new ATOM 0 HE22 GLN A 44 49.032 -31.693 6.026 1.00 5.12 H new ATOM 642 N LYS A 45 49.564 -30.768 -0.965 1.00 34.22 N ATOM 643 CA LYS A 45 48.705 -30.483 -2.109 1.00 1.22 C ATOM 644 C LYS A 45 49.561 -30.070 -3.297 1.00 34.45 C ATOM 645 O LYS A 45 50.721 -29.705 -3.129 1.00 73.42 O ATOM 646 CB LYS A 45 47.703 -29.345 -1.789 1.00 41.14 C ATOM 647 CG LYS A 45 46.711 -29.637 -0.661 1.00 41.43 C ATOM 648 CD LYS A 45 45.723 -28.467 -0.419 1.00 52.41 C ATOM 649 CE LYS A 45 46.429 -27.180 0.027 1.00 2.42 C ATOM 650 NZ LYS A 45 45.486 -26.079 0.383 1.00 21.35 N ATOM 0 H LYS A 45 50.069 -29.957 -0.608 1.00 34.22 H new ATOM 0 HA LYS A 45 48.142 -31.387 -2.343 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.268 -28.450 -1.529 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.140 -29.115 -2.694 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.148 -30.539 -0.901 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.261 -29.840 0.258 1.00 41.43 H new ATOM 0 HD2 LYS A 45 45.165 -28.272 -1.335 1.00 52.41 H new ATOM 0 HD3 LYS A 45 44.997 -28.760 0.340 1.00 52.41 H new ATOM 0 HE2 LYS A 45 47.060 -27.400 0.888 1.00 2.42 H new ATOM 0 HE3 LYS A 45 47.088 -26.840 -0.772 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 45.965 -25.400 1.008 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 45.176 -25.594 -0.483 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 44.659 -26.475 0.873 1.00 21.35 H new ATOM 664 N ASP A 46 49.005 -30.151 -4.488 1.00 71.23 N ATOM 665 CA ASP A 46 49.697 -29.650 -5.683 1.00 33.11 C ATOM 666 C ASP A 46 49.221 -28.254 -6.003 1.00 43.41 C ATOM 667 O ASP A 46 49.762 -27.585 -6.879 1.00 45.42 O ATOM 668 CB ASP A 46 49.521 -30.562 -6.918 1.00 22.43 C ATOM 669 CG ASP A 46 50.328 -31.839 -6.861 1.00 54.13 C ATOM 670 OD1 ASP A 46 49.860 -32.826 -6.264 1.00 45.24 O ATOM 671 OD2 ASP A 46 51.446 -31.888 -7.429 1.00 72.22 O ATOM 0 H ASP A 46 48.085 -30.553 -4.666 1.00 71.23 H new ATOM 0 HA ASP A 46 50.762 -29.643 -5.449 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.466 -30.816 -7.022 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.804 -30.005 -7.811 1.00 22.43 H new ATOM 676 N THR A 47 48.190 -27.829 -5.314 1.00 73.34 N ATOM 677 CA THR A 47 47.646 -26.509 -5.453 1.00 64.41 C ATOM 678 C THR A 47 47.567 -25.815 -4.118 1.00 71.43 C ATOM 679 O THR A 47 47.238 -26.431 -3.092 1.00 40.44 O ATOM 680 CB THR A 47 46.269 -26.541 -6.087 1.00 20.33 C ATOM 681 OG1 THR A 47 45.541 -27.698 -5.624 1.00 44.41 O ATOM 682 CG2 THR A 47 46.357 -26.524 -7.595 1.00 54.35 C ATOM 0 H THR A 47 47.700 -28.405 -4.630 1.00 73.34 H new ATOM 0 HA THR A 47 48.318 -25.953 -6.106 1.00 64.41 H new ATOM 0 HB THR A 47 45.730 -25.643 -5.784 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.652 -27.712 -6.036 1.00 44.41 H new ATOM 0 HG21 THR A 47 45.353 -26.548 -8.018 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.866 -25.617 -7.920 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.915 -27.395 -7.937 1.00 54.35 H new ATOM 690 N TYR A 48 47.873 -24.555 -4.124 1.00 21.32 N ATOM 691 CA TYR A 48 47.898 -23.765 -2.930 1.00 72.11 C ATOM 692 C TYR A 48 47.421 -22.378 -3.224 1.00 63.32 C ATOM 693 O TYR A 48 47.417 -21.957 -4.385 1.00 44.22 O ATOM 694 CB TYR A 48 49.321 -23.714 -2.370 1.00 30.34 C ATOM 695 CG TYR A 48 49.726 -24.950 -1.604 1.00 40.51 C ATOM 696 CD1 TYR A 48 49.378 -25.080 -0.281 1.00 21.34 C ATOM 697 CD2 TYR A 48 50.418 -25.991 -2.202 1.00 63.43 C ATOM 698 CE1 TYR A 48 49.700 -26.191 0.438 1.00 2.02 C ATOM 699 CE2 TYR A 48 50.736 -27.122 -1.482 1.00 12.51 C ATOM 700 CZ TYR A 48 50.370 -27.209 -0.156 1.00 2.34 C ATOM 701 OH TYR A 48 50.656 -28.337 0.575 1.00 72.12 O ATOM 0 H TYR A 48 48.116 -24.038 -4.969 1.00 21.32 H new ATOM 0 HA TYR A 48 47.238 -24.220 -2.191 1.00 72.11 H new ATOM 0 HB2 TYR A 48 50.019 -23.565 -3.194 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.411 -22.848 -1.715 1.00 30.34 H new ATOM 0 HD1 TYR A 48 48.835 -24.280 0.201 1.00 21.34 H new ATOM 0 HD2 TYR A 48 50.710 -25.915 -3.239 1.00 63.43 H new ATOM 0 HE1 TYR A 48 49.422 -26.261 1.479 1.00 2.02 H new ATOM 0 HE2 TYR A 48 51.268 -27.935 -1.953 1.00 12.51 H new ATOM 0 HH TYR A 48 49.964 -28.470 1.256 1.00 72.12 H new ATOM 711 N THR A 49 46.975 -21.692 -2.207 1.00 4.35 N ATOM 712 CA THR A 49 46.616 -20.309 -2.342 1.00 1.34 C ATOM 713 C THR A 49 47.888 -19.485 -2.280 1.00 15.00 C ATOM 714 O THR A 49 48.936 -20.006 -1.878 1.00 52.25 O ATOM 715 CB THR A 49 45.652 -19.859 -1.217 1.00 51.02 C ATOM 716 OG1 THR A 49 46.194 -20.193 0.063 1.00 64.22 O ATOM 717 CG2 THR A 49 44.308 -20.510 -1.358 1.00 61.52 C ATOM 0 H THR A 49 46.851 -22.073 -1.269 1.00 4.35 H new ATOM 0 HA THR A 49 46.102 -20.166 -3.292 1.00 1.34 H new ATOM 0 HB THR A 49 45.533 -18.779 -1.301 1.00 51.02 H new ATOM 0 HG1 THR A 49 46.127 -21.160 0.204 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.654 -20.173 -0.553 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.871 -20.237 -2.319 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.421 -21.593 -1.305 1.00 61.52 H new ATOM 725 N MET A 50 47.822 -18.221 -2.650 1.00 21.14 N ATOM 726 CA MET A 50 48.994 -17.364 -2.605 1.00 1.43 C ATOM 727 C MET A 50 49.488 -17.191 -1.189 1.00 72.53 C ATOM 728 O MET A 50 50.689 -17.070 -0.941 1.00 74.21 O ATOM 729 CB MET A 50 48.733 -16.011 -3.226 1.00 22.31 C ATOM 730 CG MET A 50 48.478 -16.055 -4.715 1.00 4.50 C ATOM 731 SD MET A 50 48.975 -14.529 -5.509 1.00 33.11 S ATOM 732 CE MET A 50 50.676 -14.506 -4.949 1.00 73.31 C ATOM 0 H MET A 50 46.973 -17.764 -2.984 1.00 21.14 H new ATOM 0 HA MET A 50 49.766 -17.861 -3.192 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.873 -15.557 -2.734 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.589 -15.364 -3.034 1.00 22.31 H new ATOM 0 HG2 MET A 50 49.024 -16.890 -5.154 1.00 4.50 H new ATOM 0 HG3 MET A 50 47.419 -16.234 -4.899 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.327 -14.215 -5.774 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.781 -13.790 -4.134 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.957 -15.499 -4.598 1.00 73.31 H new ATOM 742 N LYS A 51 48.556 -17.216 -0.283 1.00 14.32 N ATOM 743 CA LYS A 51 48.797 -17.127 1.131 1.00 64.44 C ATOM 744 C LYS A 51 49.644 -18.321 1.568 1.00 30.11 C ATOM 745 O LYS A 51 50.584 -18.196 2.338 1.00 14.04 O ATOM 746 CB LYS A 51 47.456 -17.190 1.814 1.00 41.10 C ATOM 747 CG LYS A 51 47.465 -16.903 3.278 1.00 73.21 C ATOM 748 CD LYS A 51 46.093 -17.141 3.829 1.00 42.42 C ATOM 749 CE LYS A 51 45.947 -16.593 5.206 1.00 70.32 C ATOM 750 NZ LYS A 51 46.142 -15.135 5.226 1.00 25.31 N ATOM 0 H LYS A 51 47.567 -17.302 -0.516 1.00 14.32 H new ATOM 0 HA LYS A 51 49.321 -16.206 1.385 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.786 -16.481 1.327 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.036 -18.184 1.659 1.00 41.10 H new ATOM 0 HG2 LYS A 51 48.190 -17.542 3.783 1.00 73.21 H new ATOM 0 HG3 LYS A 51 47.770 -15.872 3.458 1.00 73.21 H new ATOM 0 HD2 LYS A 51 45.353 -16.680 3.174 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.886 -18.211 3.840 1.00 42.42 H new ATOM 0 HE2 LYS A 51 44.957 -16.835 5.592 1.00 70.32 H new ATOM 0 HE3 LYS A 51 46.672 -17.068 5.867 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 45.730 -14.742 6.096 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 47.159 -14.920 5.197 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 45.675 -14.711 4.399 1.00 25.31 H new ATOM 764 N GLU A 52 49.316 -19.466 1.021 1.00 55.54 N ATOM 765 CA GLU A 52 50.014 -20.691 1.322 1.00 75.23 C ATOM 766 C GLU A 52 51.357 -20.734 0.639 1.00 14.34 C ATOM 767 O GLU A 52 52.268 -21.417 1.106 1.00 34.14 O ATOM 768 CB GLU A 52 49.185 -21.896 0.962 1.00 51.14 C ATOM 769 CG GLU A 52 47.941 -22.049 1.802 1.00 60.21 C ATOM 770 CD GLU A 52 47.028 -23.123 1.280 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.366 -22.887 0.260 1.00 4.25 O ATOM 772 OE2 GLU A 52 46.926 -24.210 1.894 1.00 34.40 O ATOM 0 H GLU A 52 48.554 -19.574 0.352 1.00 55.54 H new ATOM 0 HA GLU A 52 50.185 -20.716 2.398 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.898 -21.828 -0.087 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.797 -22.792 1.068 1.00 51.14 H new ATOM 0 HG2 GLU A 52 48.225 -22.284 2.828 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.404 -21.101 1.829 1.00 60.21 H new ATOM 779 N VAL A 53 51.506 -19.991 -0.459 1.00 43.32 N ATOM 780 CA VAL A 53 52.796 -19.887 -1.090 1.00 51.12 C ATOM 781 C VAL A 53 53.679 -19.113 -0.158 1.00 21.10 C ATOM 782 O VAL A 53 54.777 -19.479 0.048 1.00 11.23 O ATOM 783 CB VAL A 53 52.731 -19.192 -2.463 1.00 30.31 C ATOM 784 CG1 VAL A 53 54.084 -19.212 -3.148 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.692 -19.844 -3.331 1.00 10.42 C ATOM 0 H VAL A 53 50.758 -19.467 -0.913 1.00 43.32 H new ATOM 0 HA VAL A 53 53.186 -20.887 -1.278 1.00 51.12 H new ATOM 0 HB VAL A 53 52.450 -18.151 -2.303 1.00 30.31 H new ATOM 0 HG11 VAL A 53 54.010 -18.715 -4.115 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.814 -18.691 -2.528 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.403 -20.244 -3.294 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.658 -19.342 -4.298 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.946 -20.894 -3.476 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.717 -19.770 -2.849 1.00 10.42 H new ATOM 795 N LEU A 54 53.146 -18.077 0.453 1.00 70.30 N ATOM 796 CA LEU A 54 53.889 -17.332 1.463 1.00 2.43 C ATOM 797 C LEU A 54 54.335 -18.276 2.568 1.00 14.03 C ATOM 798 O LEU A 54 55.485 -18.272 2.965 1.00 21.52 O ATOM 799 CB LEU A 54 53.053 -16.205 2.078 1.00 11.33 C ATOM 800 CG LEU A 54 52.489 -15.164 1.120 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.785 -14.073 1.879 1.00 70.35 C ATOM 802 CD2 LEU A 54 53.568 -14.616 0.208 1.00 72.44 C ATOM 0 H LEU A 54 52.205 -17.727 0.273 1.00 70.30 H new ATOM 0 HA LEU A 54 54.751 -16.884 0.970 1.00 2.43 H new ATOM 0 HB2 LEU A 54 52.220 -16.656 2.618 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.669 -15.689 2.815 1.00 11.33 H new ATOM 0 HG LEU A 54 51.751 -15.649 0.481 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.389 -13.339 1.177 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.966 -14.502 2.457 1.00 70.35 H new ATOM 0 HD13 LEU A 54 52.489 -13.587 2.554 1.00 70.35 H new ATOM 0 HD21 LEU A 54 53.135 -13.875 -0.464 1.00 72.44 H new ATOM 0 HD22 LEU A 54 54.349 -14.149 0.808 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.998 -15.429 -0.377 1.00 72.44 H new ATOM 814 N PHE A 55 53.445 -19.150 2.979 1.00 3.44 N ATOM 815 CA PHE A 55 53.763 -20.063 4.065 1.00 31.34 C ATOM 816 C PHE A 55 54.847 -21.062 3.658 1.00 34.30 C ATOM 817 O PHE A 55 55.887 -21.143 4.293 1.00 13.01 O ATOM 818 CB PHE A 55 52.520 -20.800 4.600 1.00 43.03 C ATOM 819 CG PHE A 55 51.446 -19.904 5.177 1.00 50.44 C ATOM 820 CD1 PHE A 55 51.772 -18.810 5.971 1.00 43.53 C ATOM 821 CD2 PHE A 55 50.108 -20.156 4.916 1.00 13.12 C ATOM 822 CE1 PHE A 55 50.785 -17.994 6.489 1.00 44.21 C ATOM 823 CE2 PHE A 55 49.121 -19.342 5.432 1.00 72.04 C ATOM 824 CZ PHE A 55 49.461 -18.260 6.219 1.00 42.14 C ATOM 0 H PHE A 55 52.508 -19.252 2.589 1.00 3.44 H new ATOM 0 HA PHE A 55 54.149 -19.448 4.878 1.00 31.34 H new ATOM 0 HB2 PHE A 55 52.087 -21.386 3.790 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.837 -21.505 5.369 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.809 -18.596 6.185 1.00 43.53 H new ATOM 0 HD2 PHE A 55 49.835 -21.001 4.301 1.00 13.12 H new ATOM 0 HE1 PHE A 55 51.051 -17.148 7.105 1.00 44.21 H new ATOM 0 HE2 PHE A 55 48.083 -19.551 5.220 1.00 72.04 H new ATOM 0 HZ PHE A 55 48.689 -17.622 6.623 1.00 42.14 H new ATOM 834 N TYR A 56 54.624 -21.771 2.574 1.00 63.30 N ATOM 835 CA TYR A 56 55.539 -22.814 2.145 1.00 1.22 C ATOM 836 C TYR A 56 56.768 -22.301 1.400 1.00 62.54 C ATOM 837 O TYR A 56 57.855 -22.848 1.565 1.00 21.03 O ATOM 838 CB TYR A 56 54.817 -23.906 1.369 1.00 51.34 C ATOM 839 CG TYR A 56 53.862 -24.684 2.231 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.307 -25.754 2.985 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.526 -24.335 2.313 1.00 33.42 C ATOM 842 CE1 TYR A 56 53.449 -26.458 3.802 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.657 -25.031 3.121 1.00 32.12 C ATOM 844 CZ TYR A 56 52.123 -26.092 3.867 1.00 61.21 C ATOM 845 OH TYR A 56 51.259 -26.784 4.691 1.00 44.45 O ATOM 0 H TYR A 56 53.813 -21.646 1.968 1.00 63.30 H new ATOM 0 HA TYR A 56 55.930 -23.254 3.063 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.271 -23.458 0.539 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.550 -24.587 0.937 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.346 -26.043 2.933 1.00 1.33 H new ATOM 0 HD2 TYR A 56 52.159 -23.502 1.733 1.00 33.42 H new ATOM 0 HE1 TYR A 56 53.814 -27.290 4.386 1.00 50.53 H new ATOM 0 HE2 TYR A 56 50.616 -24.748 3.170 1.00 32.12 H new ATOM 0 HH TYR A 56 50.361 -26.398 4.621 1.00 44.45 H new ATOM 855 N LEU A 57 56.625 -21.242 0.614 1.00 33.41 N ATOM 856 CA LEU A 57 57.776 -20.695 -0.097 1.00 40.31 C ATOM 857 C LEU A 57 58.687 -20.055 0.948 1.00 40.54 C ATOM 858 O LEU A 57 59.913 -20.134 0.873 1.00 5.14 O ATOM 859 CB LEU A 57 57.331 -19.669 -1.185 1.00 53.03 C ATOM 860 CG LEU A 57 58.293 -19.383 -2.364 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.609 -18.529 -3.416 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.562 -18.699 -1.924 1.00 3.30 C ATOM 0 H LEU A 57 55.745 -20.753 0.454 1.00 33.41 H new ATOM 0 HA LEU A 57 58.311 -21.482 -0.629 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.387 -20.018 -1.604 1.00 53.03 H new ATOM 0 HB3 LEU A 57 57.128 -18.722 -0.685 1.00 53.03 H new ATOM 0 HG LEU A 57 58.561 -20.352 -2.784 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.301 -18.339 -4.236 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.731 -19.053 -3.795 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.303 -17.582 -2.973 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.199 -18.523 -2.790 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.318 -17.747 -1.453 1.00 3.30 H new ATOM 0 HD23 LEU A 57 60.088 -19.332 -1.210 1.00 3.30 H new ATOM 874 N GLY A 58 58.049 -19.492 1.964 1.00 34.05 N ATOM 875 CA GLY A 58 58.750 -18.883 3.073 1.00 74.30 C ATOM 876 C GLY A 58 59.578 -19.887 3.827 1.00 10.41 C ATOM 877 O GLY A 58 60.692 -19.576 4.252 1.00 32.52 O ATOM 0 H GLY A 58 57.033 -19.447 2.038 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.394 -18.085 2.703 1.00 74.30 H new ATOM 0 HA3 GLY A 58 58.030 -18.423 3.750 1.00 74.30 H new ATOM 881 N GLN A 59 59.044 -21.112 3.963 1.00 63.23 N ATOM 882 CA GLN A 59 59.760 -22.205 4.619 1.00 64.13 C ATOM 883 C GLN A 59 61.074 -22.428 3.897 1.00 12.12 C ATOM 884 O GLN A 59 62.125 -22.446 4.504 1.00 60.00 O ATOM 885 CB GLN A 59 58.964 -23.525 4.556 1.00 61.45 C ATOM 886 CG GLN A 59 57.567 -23.491 5.149 1.00 71.21 C ATOM 887 CD GLN A 59 57.534 -23.166 6.619 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.462 -23.473 7.363 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.477 -22.543 7.044 1.00 73.55 N ATOM 0 H GLN A 59 58.116 -21.365 3.624 1.00 63.23 H new ATOM 0 HA GLN A 59 59.910 -21.929 5.663 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.886 -23.829 3.512 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.537 -24.296 5.071 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.973 -22.753 4.611 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.092 -24.459 4.991 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.728 -22.306 6.393 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.395 -22.290 8.029 1.00 73.55 H new ATOM 898 N TYR A 60 60.981 -22.518 2.578 1.00 52.35 N ATOM 899 CA TYR A 60 62.107 -22.793 1.690 1.00 12.25 C ATOM 900 C TYR A 60 63.204 -21.724 1.821 1.00 54.12 C ATOM 901 O TYR A 60 64.390 -22.037 1.855 1.00 53.15 O ATOM 902 CB TYR A 60 61.574 -22.876 0.250 1.00 33.44 C ATOM 903 CG TYR A 60 62.571 -23.274 -0.815 1.00 22.14 C ATOM 904 CD1 TYR A 60 63.163 -24.529 -0.805 1.00 22.44 C ATOM 905 CD2 TYR A 60 62.893 -22.403 -1.852 1.00 3.25 C ATOM 906 CE1 TYR A 60 64.048 -24.906 -1.795 1.00 63.13 C ATOM 907 CE2 TYR A 60 63.770 -22.777 -2.851 1.00 41.23 C ATOM 908 CZ TYR A 60 64.343 -24.030 -2.818 1.00 64.01 C ATOM 909 OH TYR A 60 65.220 -24.413 -3.815 1.00 62.05 O ATOM 0 H TYR A 60 60.098 -22.399 2.081 1.00 52.35 H new ATOM 0 HA TYR A 60 62.569 -23.741 1.968 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.751 -23.590 0.231 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.159 -21.904 -0.017 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.928 -25.222 -0.010 1.00 22.44 H new ATOM 0 HD2 TYR A 60 62.450 -21.418 -1.876 1.00 3.25 H new ATOM 0 HE1 TYR A 60 64.507 -25.883 -1.768 1.00 63.13 H new ATOM 0 HE2 TYR A 60 64.005 -22.092 -3.653 1.00 41.23 H new ATOM 0 HH TYR A 60 65.665 -23.620 -4.182 1.00 62.05 H new ATOM 919 N ILE A 61 62.794 -20.485 1.956 1.00 22.33 N ATOM 920 CA ILE A 61 63.730 -19.373 2.055 1.00 54.32 C ATOM 921 C ILE A 61 64.384 -19.369 3.422 1.00 22.41 C ATOM 922 O ILE A 61 65.601 -19.151 3.555 1.00 45.34 O ATOM 923 CB ILE A 61 63.016 -18.009 1.871 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.272 -17.962 0.546 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.024 -16.851 1.943 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.492 -16.682 0.325 1.00 12.42 C ATOM 0 H ILE A 61 61.812 -20.213 2.001 1.00 22.33 H new ATOM 0 HA ILE A 61 64.470 -19.504 1.266 1.00 54.32 H new ATOM 0 HB ILE A 61 62.296 -17.899 2.682 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.988 -18.084 -0.266 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.586 -18.807 0.496 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.500 -15.904 1.811 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.519 -16.860 2.914 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.768 -16.967 1.155 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.989 -16.725 -0.641 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.750 -16.567 1.115 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.175 -15.832 0.342 1.00 12.42 H new ATOM 938 N MET A 62 63.585 -19.629 4.424 1.00 72.44 N ATOM 939 CA MET A 62 64.024 -19.548 5.782 1.00 41.23 C ATOM 940 C MET A 62 64.901 -20.741 6.137 1.00 61.21 C ATOM 941 O MET A 62 65.987 -20.567 6.647 1.00 12.42 O ATOM 942 CB MET A 62 62.813 -19.462 6.708 1.00 32.32 C ATOM 943 CG MET A 62 63.082 -18.903 8.109 1.00 13.52 C ATOM 944 SD MET A 62 64.117 -19.953 9.159 1.00 44.31 S ATOM 945 CE MET A 62 64.257 -18.924 10.618 1.00 63.31 C ATOM 0 H MET A 62 62.609 -19.903 4.315 1.00 72.44 H new ATOM 0 HA MET A 62 64.626 -18.648 5.909 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.057 -18.841 6.229 1.00 32.32 H new ATOM 0 HB3 MET A 62 62.387 -20.460 6.811 1.00 32.32 H new ATOM 0 HG2 MET A 62 63.560 -17.928 8.010 1.00 13.52 H new ATOM 0 HG3 MET A 62 62.127 -18.741 8.610 1.00 13.52 H new ATOM 0 HE1 MET A 62 64.868 -19.432 11.364 1.00 63.31 H new ATOM 0 HE2 MET A 62 64.724 -17.976 10.351 1.00 63.31 H new ATOM 0 HE3 MET A 62 63.265 -18.737 11.028 1.00 63.31 H new ATOM 955 N THR A 63 64.455 -21.936 5.787 1.00 24.30 N ATOM 956 CA THR A 63 65.148 -23.167 6.168 1.00 13.21 C ATOM 957 C THR A 63 66.572 -23.239 5.579 1.00 64.20 C ATOM 958 O THR A 63 67.519 -23.671 6.259 1.00 74.44 O ATOM 959 CB THR A 63 64.317 -24.459 5.821 1.00 32.20 C ATOM 960 OG1 THR A 63 64.909 -25.621 6.427 1.00 73.21 O ATOM 961 CG2 THR A 63 64.206 -24.693 4.317 1.00 71.34 C ATOM 0 H THR A 63 63.610 -22.086 5.235 1.00 24.30 H new ATOM 0 HA THR A 63 65.246 -23.135 7.253 1.00 13.21 H new ATOM 0 HB THR A 63 63.315 -24.296 6.218 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.378 -26.414 6.202 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.624 -25.596 4.131 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.712 -23.840 3.852 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.203 -24.810 3.892 1.00 71.34 H new ATOM 969 N LYS A 64 66.735 -22.740 4.370 1.00 74.50 N ATOM 970 CA LYS A 64 68.021 -22.781 3.692 1.00 35.22 C ATOM 971 C LYS A 64 68.797 -21.524 4.007 1.00 24.12 C ATOM 972 O LYS A 64 69.991 -21.427 3.722 1.00 50.03 O ATOM 973 CB LYS A 64 67.807 -22.857 2.194 1.00 41.22 C ATOM 974 CG LYS A 64 66.878 -23.961 1.745 1.00 22.42 C ATOM 975 CD LYS A 64 67.417 -25.353 2.032 1.00 13.51 C ATOM 976 CE LYS A 64 66.416 -26.412 1.597 1.00 12.10 C ATOM 977 NZ LYS A 64 66.895 -27.782 1.853 1.00 42.24 N ATOM 0 H LYS A 64 65.990 -22.298 3.832 1.00 74.50 H new ATOM 0 HA LYS A 64 68.574 -23.657 4.031 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.409 -21.903 1.848 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.773 -22.994 1.709 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.916 -23.842 2.243 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.698 -23.862 0.675 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.361 -25.499 1.507 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.625 -25.456 3.097 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.475 -26.256 2.124 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.209 -26.296 0.533 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.177 -28.465 1.539 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 67.779 -27.944 1.330 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.068 -27.905 2.871 1.00 42.24 H new ATOM 991 N ARG A 65 68.095 -20.567 4.591 1.00 62.41 N ATOM 992 CA ARG A 65 68.648 -19.253 4.920 1.00 10.24 C ATOM 993 C ARG A 65 69.108 -18.546 3.662 1.00 55.32 C ATOM 994 O ARG A 65 70.300 -18.382 3.415 1.00 33.21 O ATOM 995 CB ARG A 65 69.786 -19.277 5.983 1.00 10.13 C ATOM 996 CG ARG A 65 69.355 -19.441 7.442 1.00 12.01 C ATOM 997 CD ARG A 65 68.796 -20.817 7.764 1.00 0.21 C ATOM 998 NE ARG A 65 68.343 -20.889 9.165 1.00 35.32 N ATOM 999 CZ ARG A 65 67.563 -21.845 9.692 1.00 62.31 C ATOM 1000 NH1 ARG A 65 67.169 -22.877 8.950 1.00 53.35 N ATOM 1001 NH2 ARG A 65 67.193 -21.765 10.974 1.00 23.34 N ATOM 0 H ARG A 65 67.116 -20.676 4.855 1.00 62.41 H new ATOM 0 HA ARG A 65 67.832 -18.698 5.383 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.467 -20.091 5.735 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.353 -18.350 5.897 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.211 -19.246 8.088 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.601 -18.689 7.676 1.00 12.01 H new ATOM 0 HD2 ARG A 65 67.963 -21.040 7.097 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.559 -21.574 7.586 1.00 0.21 H new ATOM 0 HE ARG A 65 68.651 -20.144 9.791 1.00 35.32 H new ATOM 0 HH11 ARG A 65 67.460 -22.944 7.975 1.00 53.35 H new ATOM 0 HH12 ARG A 65 66.576 -23.601 9.357 1.00 53.35 H new ATOM 0 HH21 ARG A 65 67.504 -20.980 11.546 1.00 23.34 H new ATOM 0 HH22 ARG A 65 66.600 -22.489 11.380 1.00 23.34 H new ATOM 1015 N LEU A 66 68.162 -18.208 2.823 1.00 53.51 N ATOM 1016 CA LEU A 66 68.477 -17.545 1.568 1.00 71.15 C ATOM 1017 C LEU A 66 68.375 -16.035 1.714 1.00 32.04 C ATOM 1018 O LEU A 66 68.676 -15.280 0.777 1.00 73.22 O ATOM 1019 CB LEU A 66 67.554 -18.043 0.438 1.00 33.23 C ATOM 1020 CG LEU A 66 67.584 -19.552 0.147 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.578 -19.911 -0.937 1.00 34.12 C ATOM 1022 CD2 LEU A 66 68.983 -20.001 -0.260 1.00 42.44 C ATOM 0 H LEU A 66 67.168 -18.377 2.979 1.00 53.51 H new ATOM 0 HA LEU A 66 69.505 -17.794 1.304 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.530 -17.763 0.685 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.818 -17.513 -0.477 1.00 33.23 H new ATOM 0 HG LEU A 66 67.309 -20.075 1.063 1.00 74.22 H new ATOM 0 HD11 LEU A 66 66.616 -20.984 -1.128 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.576 -19.636 -0.609 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.821 -19.371 -1.852 1.00 34.12 H new ATOM 0 HD21 LEU A 66 68.977 -21.072 -0.460 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.290 -19.465 -1.158 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.683 -19.787 0.547 1.00 42.44 H new ATOM 1034 N TYR A 67 67.971 -15.597 2.887 1.00 50.33 N ATOM 1035 CA TYR A 67 67.784 -14.186 3.147 1.00 63.44 C ATOM 1036 C TYR A 67 68.996 -13.603 3.867 1.00 41.21 C ATOM 1037 O TYR A 67 69.936 -14.345 4.200 1.00 0.14 O ATOM 1038 CB TYR A 67 66.473 -13.922 3.912 1.00 32.51 C ATOM 1039 CG TYR A 67 66.413 -14.521 5.294 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.084 -15.858 5.487 1.00 24.21 C ATOM 1041 CD2 TYR A 67 66.686 -13.746 6.409 1.00 64.31 C ATOM 1042 CE1 TYR A 67 66.032 -16.401 6.753 1.00 3.00 C ATOM 1043 CE2 TYR A 67 66.635 -14.282 7.678 1.00 44.51 C ATOM 1044 CZ TYR A 67 66.308 -15.611 7.843 1.00 62.24 C ATOM 1045 OH TYR A 67 66.252 -16.150 9.103 1.00 52.04 O ATOM 0 H TYR A 67 67.764 -16.203 3.681 1.00 50.33 H new ATOM 0 HA TYR A 67 67.696 -13.674 2.189 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.327 -12.845 3.992 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.642 -14.314 3.326 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.866 -16.481 4.632 1.00 24.21 H new ATOM 0 HD2 TYR A 67 66.943 -12.705 6.282 1.00 64.31 H new ATOM 0 HE1 TYR A 67 65.776 -17.442 6.887 1.00 3.00 H new ATOM 0 HE2 TYR A 67 66.850 -13.665 8.538 1.00 44.51 H new ATOM 0 HH TYR A 67 66.475 -15.461 9.764 1.00 52.04 H new ATOM 1055 N ASP A 68 68.985 -12.297 4.093 1.00 63.44 N ATOM 1056 CA ASP A 68 70.110 -11.622 4.723 1.00 21.32 C ATOM 1057 C ASP A 68 70.170 -11.895 6.200 1.00 52.35 C ATOM 1058 O ASP A 68 69.167 -12.120 6.857 1.00 13.34 O ATOM 1059 CB ASP A 68 70.111 -10.110 4.472 1.00 1.00 C ATOM 1060 CG ASP A 68 71.372 -9.431 5.005 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.490 -9.677 4.477 1.00 62.33 O ATOM 1062 OD2 ASP A 68 71.278 -8.685 5.981 1.00 24.12 O ATOM 0 H ASP A 68 68.208 -11.683 3.849 1.00 63.44 H new ATOM 0 HA ASP A 68 71.002 -12.037 4.253 1.00 21.32 H new ATOM 0 HB2 ASP A 68 70.025 -9.922 3.402 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.235 -9.666 4.945 1.00 1.00 H new ATOM 1067 N GLU A 69 71.349 -11.838 6.696 1.00 63.22 N ATOM 1068 CA GLU A 69 71.677 -12.135 8.055 1.00 62.14 C ATOM 1069 C GLU A 69 71.176 -11.043 8.968 1.00 64.00 C ATOM 1070 O GLU A 69 70.749 -11.298 10.095 1.00 30.11 O ATOM 1071 CB GLU A 69 73.176 -12.164 8.151 1.00 42.41 C ATOM 1072 CG GLU A 69 73.809 -12.952 7.044 1.00 61.33 C ATOM 1073 CD GLU A 69 75.288 -12.829 7.037 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.808 -11.846 6.471 1.00 52.31 O ATOM 1075 OE2 GLU A 69 75.965 -13.700 7.615 1.00 24.54 O ATOM 0 H GLU A 69 72.162 -11.569 6.141 1.00 63.22 H new ATOM 0 HA GLU A 69 71.224 -13.082 8.348 1.00 62.14 H new ATOM 0 HB2 GLU A 69 73.558 -11.143 8.130 1.00 42.41 H new ATOM 0 HB3 GLU A 69 73.467 -12.593 9.110 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.535 -14.002 7.146 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.414 -12.611 6.087 1.00 61.33 H new ATOM 1082 N LYS A 70 71.218 -9.828 8.483 1.00 21.31 N ATOM 1083 CA LYS A 70 70.920 -8.693 9.304 1.00 43.13 C ATOM 1084 C LYS A 70 69.586 -8.104 8.925 1.00 3.23 C ATOM 1085 O LYS A 70 68.876 -7.550 9.768 1.00 14.52 O ATOM 1086 CB LYS A 70 71.952 -7.626 9.021 1.00 51.11 C ATOM 1087 CG LYS A 70 73.372 -8.124 8.876 1.00 5.05 C ATOM 1088 CD LYS A 70 73.957 -8.656 10.173 1.00 31.00 C ATOM 1089 CE LYS A 70 75.416 -9.027 9.996 1.00 65.43 C ATOM 1090 NZ LYS A 70 76.027 -9.557 11.236 1.00 33.03 N ATOM 0 H LYS A 70 71.458 -9.604 7.517 1.00 21.31 H new ATOM 0 HA LYS A 70 70.914 -9.007 10.348 1.00 43.13 H new ATOM 0 HB2 LYS A 70 71.671 -7.106 8.105 1.00 51.11 H new ATOM 0 HB3 LYS A 70 71.922 -6.892 9.826 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.398 -8.912 8.123 1.00 5.05 H new ATOM 0 HG3 LYS A 70 73.999 -7.311 8.509 1.00 5.05 H new ATOM 0 HD2 LYS A 70 73.861 -7.903 10.956 1.00 31.00 H new ATOM 0 HD3 LYS A 70 73.393 -9.529 10.500 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.503 -9.773 9.206 1.00 65.43 H new ATOM 0 HE3 LYS A 70 75.972 -8.149 9.669 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 77.024 -9.794 11.058 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 75.971 -8.838 11.985 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 75.516 -10.412 11.537 1.00 33.03 H new ATOM 1104 N GLN A 71 69.248 -8.219 7.675 1.00 50.03 N ATOM 1105 CA GLN A 71 68.018 -7.636 7.173 1.00 5.34 C ATOM 1106 C GLN A 71 67.069 -8.667 6.618 1.00 62.15 C ATOM 1107 O GLN A 71 67.272 -9.198 5.542 1.00 64.52 O ATOM 1108 CB GLN A 71 68.325 -6.550 6.141 1.00 3.32 C ATOM 1109 CG GLN A 71 69.024 -5.332 6.727 1.00 21.51 C ATOM 1110 CD GLN A 71 68.153 -4.556 7.709 1.00 43.20 C ATOM 1111 OE1 GLN A 71 67.441 -3.629 7.325 1.00 23.33 O ATOM 1112 NE2 GLN A 71 68.181 -4.929 8.958 1.00 3.50 N ATOM 0 H GLN A 71 69.802 -8.711 6.974 1.00 50.03 H new ATOM 0 HA GLN A 71 67.508 -7.179 8.021 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.950 -6.974 5.355 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.394 -6.233 5.672 1.00 3.32 H new ATOM 0 HG2 GLN A 71 69.935 -5.652 7.233 1.00 21.51 H new ATOM 0 HG3 GLN A 71 69.326 -4.669 5.916 1.00 21.51 H new ATOM 0 HE21 GLN A 71 68.782 -5.701 9.246 1.00 3.50 H new ATOM 0 HE22 GLN A 71 67.602 -4.448 9.647 1.00 3.50 H new ATOM 1121 N GLN A 72 66.003 -8.900 7.349 1.00 33.03 N ATOM 1122 CA GLN A 72 64.996 -9.898 6.997 1.00 64.41 C ATOM 1123 C GLN A 72 64.224 -9.534 5.724 1.00 73.12 C ATOM 1124 O GLN A 72 63.708 -10.400 5.034 1.00 1.14 O ATOM 1125 CB GLN A 72 64.014 -10.136 8.159 1.00 2.34 C ATOM 1126 CG GLN A 72 64.604 -10.825 9.400 1.00 64.34 C ATOM 1127 CD GLN A 72 65.555 -9.961 10.209 1.00 20.23 C ATOM 1128 OE1 GLN A 72 66.755 -9.946 9.973 1.00 21.44 O ATOM 1129 NE2 GLN A 72 65.028 -9.250 11.168 1.00 52.04 N ATOM 0 H GLN A 72 65.801 -8.401 8.215 1.00 33.03 H new ATOM 0 HA GLN A 72 65.541 -10.821 6.798 1.00 64.41 H new ATOM 0 HB2 GLN A 72 63.599 -9.175 8.463 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.184 -10.739 7.791 1.00 2.34 H new ATOM 0 HG2 GLN A 72 63.786 -11.145 10.045 1.00 64.34 H new ATOM 0 HG3 GLN A 72 65.131 -11.725 9.084 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.023 -9.287 11.337 1.00 52.04 H new ATOM 0 HE22 GLN A 72 65.621 -8.657 11.749 1.00 52.04 H new ATOM 1138 N HIS A 73 64.146 -8.249 5.423 1.00 20.12 N ATOM 1139 CA HIS A 73 63.440 -7.788 4.228 1.00 23.35 C ATOM 1140 C HIS A 73 64.249 -8.026 2.957 1.00 72.14 C ATOM 1141 O HIS A 73 63.730 -7.878 1.841 1.00 10.11 O ATOM 1142 CB HIS A 73 63.030 -6.294 4.322 1.00 41.31 C ATOM 1143 CG HIS A 73 64.176 -5.306 4.316 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.313 -4.316 3.380 1.00 32.14 N ATOM 1145 CD2 HIS A 73 65.227 -5.165 5.147 1.00 65.33 C ATOM 1146 CE1 HIS A 73 65.388 -3.617 3.620 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.969 -4.111 4.692 1.00 73.14 N ATOM 0 H HIS A 73 64.560 -7.504 5.984 1.00 20.12 H new ATOM 0 HA HIS A 73 62.530 -8.385 4.174 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.369 -6.063 3.487 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.453 -6.150 5.235 1.00 41.31 H new ATOM 0 HD2 HIS A 73 65.443 -5.773 6.013 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.740 -2.778 3.039 1.00 3.33 H new ATOM 0 HE2 HIS A 73 66.831 -3.765 5.114 1.00 73.14 H new ATOM 1155 N ILE A 74 65.497 -8.374 3.127 1.00 50.14 N ATOM 1156 CA ILE A 74 66.390 -8.593 2.028 1.00 22.31 C ATOM 1157 C ILE A 74 66.632 -10.059 1.867 1.00 55.40 C ATOM 1158 O ILE A 74 67.075 -10.736 2.799 1.00 73.00 O ATOM 1159 CB ILE A 74 67.744 -7.847 2.234 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.536 -6.334 2.198 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.804 -8.272 1.213 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.888 -5.839 0.920 1.00 73.44 C ATOM 0 H ILE A 74 65.923 -8.514 4.043 1.00 50.14 H new ATOM 0 HA ILE A 74 65.926 -8.194 1.126 1.00 22.31 H new ATOM 0 HB ILE A 74 68.118 -8.128 3.218 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.917 -6.041 3.046 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.500 -5.840 2.321 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.728 -7.724 1.399 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.991 -9.342 1.307 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.448 -8.053 0.206 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.772 -4.756 0.967 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.516 -6.101 0.069 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.909 -6.304 0.805 1.00 73.44 H new ATOM 1174 N VAL A 75 66.318 -10.563 0.718 1.00 45.43 N ATOM 1175 CA VAL A 75 66.562 -11.924 0.441 1.00 24.42 C ATOM 1176 C VAL A 75 67.478 -11.996 -0.750 1.00 52.54 C ATOM 1177 O VAL A 75 67.307 -11.262 -1.705 1.00 42.31 O ATOM 1178 CB VAL A 75 65.267 -12.730 0.175 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.573 -14.215 0.031 1.00 1.24 C ATOM 1180 CG2 VAL A 75 64.237 -12.503 1.274 1.00 11.12 C ATOM 0 H VAL A 75 65.888 -10.039 -0.045 1.00 45.43 H new ATOM 0 HA VAL A 75 67.021 -12.378 1.319 1.00 24.42 H new ATOM 0 HB VAL A 75 64.843 -12.371 -0.763 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.648 -14.761 -0.155 1.00 1.24 H new ATOM 0 HG12 VAL A 75 66.258 -14.366 -0.803 1.00 1.24 H new ATOM 0 HG13 VAL A 75 66.033 -14.582 0.949 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.340 -13.083 1.057 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.651 -12.819 2.232 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.982 -11.444 1.321 1.00 11.12 H new ATOM 1190 N TYR A 76 68.466 -12.823 -0.689 1.00 5.33 N ATOM 1191 CA TYR A 76 69.364 -12.934 -1.790 1.00 2.23 C ATOM 1192 C TYR A 76 68.935 -14.054 -2.674 1.00 20.23 C ATOM 1193 O TYR A 76 68.567 -13.826 -3.816 1.00 22.13 O ATOM 1194 CB TYR A 76 70.799 -13.118 -1.322 1.00 71.42 C ATOM 1195 CG TYR A 76 71.291 -11.970 -0.489 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.650 -10.762 -1.076 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.374 -12.079 0.883 1.00 34.51 C ATOM 1198 CE1 TYR A 76 72.078 -9.701 -0.307 1.00 3.12 C ATOM 1199 CE2 TYR A 76 71.795 -11.028 1.650 1.00 53.13 C ATOM 1200 CZ TYR A 76 72.144 -9.842 1.059 1.00 44.23 C ATOM 1201 OH TYR A 76 72.564 -8.792 1.847 1.00 11.02 O ATOM 0 H TYR A 76 68.673 -13.429 0.105 1.00 5.33 H new ATOM 0 HA TYR A 76 69.334 -12.005 -2.359 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.872 -14.039 -0.743 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.447 -13.235 -2.190 1.00 71.42 H new ATOM 0 HD1 TYR A 76 71.593 -10.653 -2.149 1.00 72.11 H new ATOM 0 HD2 TYR A 76 71.102 -13.009 1.360 1.00 34.51 H new ATOM 0 HE1 TYR A 76 72.359 -8.768 -0.773 1.00 3.12 H new ATOM 0 HE2 TYR A 76 71.853 -11.133 2.723 1.00 53.13 H new ATOM 0 HH TYR A 76 72.580 -9.073 2.786 1.00 11.02 H new ATOM 1211 N CYS A 77 68.918 -15.275 -2.108 1.00 54.53 N ATOM 1212 CA CYS A 77 68.565 -16.512 -2.828 1.00 52.14 C ATOM 1213 C CYS A 77 69.267 -16.606 -4.180 1.00 4.33 C ATOM 1214 O CYS A 77 68.735 -17.144 -5.138 1.00 62.20 O ATOM 1215 CB CYS A 77 67.030 -16.712 -2.930 1.00 61.41 C ATOM 1216 SG CYS A 77 66.100 -15.332 -3.605 1.00 54.33 S ATOM 0 H CYS A 77 69.151 -15.432 -1.128 1.00 54.53 H new ATOM 0 HA CYS A 77 68.938 -17.346 -2.233 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.838 -17.590 -3.547 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.645 -16.931 -1.934 1.00 61.41 H new ATOM 0 HG CYS A 77 66.923 -14.443 -4.077 1.00 54.33 H new ATOM 1222 N SER A 78 70.508 -16.150 -4.190 1.00 74.53 N ATOM 1223 CA SER A 78 71.361 -16.115 -5.357 1.00 1.24 C ATOM 1224 C SER A 78 71.752 -17.548 -5.717 1.00 20.30 C ATOM 1225 O SER A 78 72.083 -17.873 -6.859 1.00 21.43 O ATOM 1226 CB SER A 78 72.591 -15.332 -4.963 1.00 41.00 C ATOM 1227 OG SER A 78 72.223 -14.222 -4.139 1.00 62.31 O ATOM 0 H SER A 78 70.962 -15.782 -3.354 1.00 74.53 H new ATOM 0 HA SER A 78 70.866 -15.658 -6.214 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.287 -15.978 -4.427 1.00 41.00 H new ATOM 0 HB3 SER A 78 73.107 -14.977 -5.855 1.00 41.00 H new ATOM 0 HG SER A 78 71.642 -13.617 -4.646 1.00 62.31 H new ATOM 1233 N ASN A 79 71.684 -18.389 -4.705 1.00 41.54 N ATOM 1234 CA ASN A 79 71.937 -19.816 -4.797 1.00 73.42 C ATOM 1235 C ASN A 79 70.803 -20.503 -5.554 1.00 0.00 C ATOM 1236 O ASN A 79 70.950 -21.619 -6.060 1.00 53.23 O ATOM 1237 CB ASN A 79 72.008 -20.381 -3.363 1.00 72.51 C ATOM 1238 CG ASN A 79 72.175 -21.889 -3.286 1.00 60.42 C ATOM 1239 OD1 ASN A 79 71.191 -22.638 -3.240 1.00 34.51 O ATOM 1240 ND2 ASN A 79 73.395 -22.338 -3.246 1.00 12.14 N ATOM 0 H ASN A 79 71.442 -18.088 -3.761 1.00 41.54 H new ATOM 0 HA ASN A 79 72.871 -19.995 -5.330 1.00 73.42 H new ATOM 0 HB2 ASN A 79 72.841 -19.909 -2.841 1.00 72.51 H new ATOM 0 HB3 ASN A 79 71.099 -20.101 -2.831 1.00 72.51 H new ATOM 0 HD21 ASN A 79 73.567 -23.341 -3.174 1.00 12.14 H new ATOM 0 HD22 ASN A 79 74.179 -21.687 -3.286 1.00 12.14 H new ATOM 1247 N ASP A 80 69.700 -19.811 -5.677 1.00 63.10 N ATOM 1248 CA ASP A 80 68.506 -20.388 -6.209 1.00 44.31 C ATOM 1249 C ASP A 80 67.993 -19.538 -7.379 1.00 54.24 C ATOM 1250 O ASP A 80 68.596 -18.514 -7.721 1.00 62.42 O ATOM 1251 CB ASP A 80 67.474 -20.450 -5.082 1.00 54.35 C ATOM 1252 CG ASP A 80 66.346 -21.376 -5.391 1.00 4.01 C ATOM 1253 OD1 ASP A 80 66.488 -22.585 -5.120 1.00 31.11 O ATOM 1254 OD2 ASP A 80 65.328 -20.929 -5.945 1.00 51.55 O ATOM 0 H ASP A 80 69.611 -18.831 -5.409 1.00 63.10 H new ATOM 0 HA ASP A 80 68.696 -21.392 -6.589 1.00 44.31 H new ATOM 0 HB2 ASP A 80 67.963 -20.773 -4.163 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.080 -19.450 -4.899 1.00 54.35 H new ATOM 1259 N LEU A 81 66.900 -19.947 -7.985 1.00 71.31 N ATOM 1260 CA LEU A 81 66.335 -19.230 -9.094 1.00 11.32 C ATOM 1261 C LEU A 81 65.301 -18.230 -8.619 1.00 12.11 C ATOM 1262 O LEU A 81 64.856 -17.380 -9.381 1.00 75.03 O ATOM 1263 CB LEU A 81 65.678 -20.153 -10.058 1.00 25.11 C ATOM 1264 CG LEU A 81 65.339 -19.463 -11.346 1.00 40.03 C ATOM 1265 CD1 LEU A 81 66.536 -19.302 -12.245 1.00 43.44 C ATOM 1266 CD2 LEU A 81 64.209 -20.092 -11.998 1.00 21.25 C ATOM 0 H LEU A 81 66.383 -20.785 -7.719 1.00 71.31 H new ATOM 0 HA LEU A 81 67.158 -18.713 -9.587 1.00 11.32 H new ATOM 0 HB2 LEU A 81 66.337 -20.997 -10.260 1.00 25.11 H new ATOM 0 HB3 LEU A 81 64.769 -20.558 -9.612 1.00 25.11 H new ATOM 0 HG LEU A 81 65.028 -18.447 -11.103 1.00 40.03 H new ATOM 0 HD11 LEU A 81 66.236 -18.797 -13.163 1.00 43.44 H new ATOM 0 HD12 LEU A 81 67.296 -18.709 -11.736 1.00 43.44 H new ATOM 0 HD13 LEU A 81 66.944 -20.283 -12.487 1.00 43.44 H new ATOM 0 HD21 LEU A 81 63.988 -19.569 -12.928 1.00 21.25 H new ATOM 0 HD22 LEU A 81 64.447 -21.133 -12.215 1.00 21.25 H new ATOM 0 HD23 LEU A 81 63.340 -20.048 -11.342 1.00 21.25 H new ATOM 1278 N LEU A 82 64.919 -18.352 -7.365 1.00 22.23 N ATOM 1279 CA LEU A 82 63.924 -17.482 -6.720 1.00 31.14 C ATOM 1280 C LEU A 82 64.265 -15.986 -7.012 1.00 51.53 C ATOM 1281 O LEU A 82 63.435 -15.210 -7.543 1.00 75.13 O ATOM 1282 CB LEU A 82 64.003 -17.763 -5.211 1.00 51.31 C ATOM 1283 CG LEU A 82 62.755 -17.554 -4.347 1.00 44.45 C ATOM 1284 CD1 LEU A 82 63.096 -17.837 -2.896 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.153 -16.165 -4.497 1.00 64.25 C ATOM 0 H LEU A 82 65.291 -19.069 -6.742 1.00 22.23 H new ATOM 0 HA LEU A 82 62.920 -17.677 -7.098 1.00 31.14 H new ATOM 0 HB2 LEU A 82 64.319 -18.799 -5.086 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.795 -17.136 -4.801 1.00 51.31 H new ATOM 0 HG LEU A 82 61.994 -18.252 -4.695 1.00 44.45 H new ATOM 0 HD11 LEU A 82 62.210 -17.689 -2.279 1.00 51.52 H new ATOM 0 HD12 LEU A 82 63.440 -18.867 -2.797 1.00 51.52 H new ATOM 0 HD13 LEU A 82 63.884 -17.159 -2.568 1.00 51.52 H new ATOM 0 HD21 LEU A 82 61.272 -16.079 -3.860 1.00 64.25 H new ATOM 0 HD22 LEU A 82 62.888 -15.416 -4.202 1.00 64.25 H new ATOM 0 HD23 LEU A 82 61.866 -16.003 -5.536 1.00 64.25 H new ATOM 1297 N GLY A 83 65.506 -15.637 -6.751 1.00 33.33 N ATOM 1298 CA GLY A 83 65.945 -14.279 -6.943 1.00 13.41 C ATOM 1299 C GLY A 83 66.065 -13.958 -8.400 1.00 23.02 C ATOM 1300 O GLY A 83 65.766 -12.828 -8.842 1.00 63.21 O ATOM 0 H GLY A 83 66.224 -16.275 -6.407 1.00 33.33 H new ATOM 0 HA2 GLY A 83 65.239 -13.594 -6.473 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.907 -14.131 -6.453 1.00 13.41 H new ATOM 1304 N ASP A 84 66.426 -14.972 -9.183 1.00 74.23 N ATOM 1305 CA ASP A 84 66.624 -14.773 -10.591 1.00 72.30 C ATOM 1306 C ASP A 84 65.321 -14.402 -11.219 1.00 60.45 C ATOM 1307 O ASP A 84 65.295 -13.495 -12.008 1.00 21.25 O ATOM 1308 CB ASP A 84 67.237 -15.981 -11.278 1.00 32.43 C ATOM 1309 CG ASP A 84 67.596 -15.690 -12.723 1.00 23.04 C ATOM 1310 OD1 ASP A 84 68.629 -15.021 -12.965 1.00 34.12 O ATOM 1311 OD2 ASP A 84 66.865 -16.120 -13.647 1.00 12.11 O ATOM 0 H ASP A 84 66.583 -15.926 -8.858 1.00 74.23 H new ATOM 0 HA ASP A 84 67.342 -13.963 -10.719 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.131 -16.291 -10.737 1.00 32.43 H new ATOM 0 HB3 ASP A 84 66.536 -16.815 -11.239 1.00 32.43 H new ATOM 1316 N LEU A 85 64.228 -15.094 -10.785 1.00 51.32 N ATOM 1317 CA LEU A 85 62.823 -14.797 -11.170 1.00 55.15 C ATOM 1318 C LEU A 85 62.462 -13.333 -10.952 1.00 45.10 C ATOM 1319 O LEU A 85 61.724 -12.751 -11.752 1.00 62.02 O ATOM 1320 CB LEU A 85 61.821 -15.668 -10.384 1.00 35.13 C ATOM 1321 CG LEU A 85 61.769 -17.158 -10.719 1.00 61.13 C ATOM 1322 CD1 LEU A 85 60.819 -17.886 -9.790 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.380 -17.364 -12.175 1.00 34.22 C ATOM 0 H LEU A 85 64.304 -15.886 -10.147 1.00 51.32 H new ATOM 0 HA LEU A 85 62.755 -15.026 -12.233 1.00 55.15 H new ATOM 0 HB2 LEU A 85 62.049 -15.569 -9.323 1.00 35.13 H new ATOM 0 HB3 LEU A 85 60.824 -15.254 -10.535 1.00 35.13 H new ATOM 0 HG LEU A 85 62.764 -17.579 -10.573 1.00 61.13 H new ATOM 0 HD11 LEU A 85 60.798 -18.945 -10.047 1.00 14.13 H new ATOM 0 HD12 LEU A 85 61.157 -17.769 -8.760 1.00 14.13 H new ATOM 0 HD13 LEU A 85 59.818 -17.468 -9.893 1.00 14.13 H new ATOM 0 HD21 LEU A 85 61.348 -18.431 -12.396 1.00 34.22 H new ATOM 0 HD22 LEU A 85 60.398 -16.927 -12.355 1.00 34.22 H new ATOM 0 HD23 LEU A 85 62.115 -16.882 -12.820 1.00 34.22 H new ATOM 1335 N PHE A 86 62.960 -12.738 -9.857 1.00 13.22 N ATOM 1336 CA PHE A 86 62.755 -11.278 -9.601 1.00 14.21 C ATOM 1337 C PHE A 86 63.402 -10.493 -10.738 1.00 25.43 C ATOM 1338 O PHE A 86 62.995 -9.382 -11.082 1.00 74.23 O ATOM 1339 CB PHE A 86 63.416 -10.875 -8.293 1.00 60.11 C ATOM 1340 CG PHE A 86 62.906 -9.569 -7.683 1.00 12.33 C ATOM 1341 CD1 PHE A 86 61.852 -9.577 -6.795 1.00 60.04 C ATOM 1342 CD2 PHE A 86 63.494 -8.353 -7.979 1.00 61.20 C ATOM 1343 CE1 PHE A 86 61.396 -8.415 -6.215 1.00 63.23 C ATOM 1344 CE2 PHE A 86 63.038 -7.183 -7.406 1.00 21.42 C ATOM 1345 CZ PHE A 86 61.990 -7.215 -6.523 1.00 2.54 C ATOM 0 H PHE A 86 63.499 -13.222 -9.139 1.00 13.22 H new ATOM 0 HA PHE A 86 61.687 -11.068 -9.541 1.00 14.21 H new ATOM 0 HB2 PHE A 86 63.271 -11.677 -7.569 1.00 60.11 H new ATOM 0 HB3 PHE A 86 64.490 -10.785 -8.459 1.00 60.11 H new ATOM 0 HD1 PHE A 86 61.374 -10.514 -6.549 1.00 60.04 H new ATOM 0 HD2 PHE A 86 64.324 -8.318 -8.670 1.00 61.20 H new ATOM 0 HE1 PHE A 86 60.572 -8.447 -5.518 1.00 63.23 H new ATOM 0 HE2 PHE A 86 63.507 -6.242 -7.653 1.00 21.42 H new ATOM 0 HZ PHE A 86 61.633 -6.301 -6.072 1.00 2.54 H new ATOM 1355 N GLY A 87 64.365 -11.131 -11.323 1.00 24.41 N ATOM 1356 CA GLY A 87 65.096 -10.629 -12.468 1.00 31.24 C ATOM 1357 C GLY A 87 66.412 -10.079 -12.066 1.00 3.13 C ATOM 1358 O GLY A 87 66.928 -9.156 -12.701 1.00 20.13 O ATOM 0 H GLY A 87 64.684 -12.049 -11.014 1.00 24.41 H new ATOM 0 HA2 GLY A 87 65.240 -11.432 -13.191 1.00 31.24 H new ATOM 0 HA3 GLY A 87 64.512 -9.854 -12.964 1.00 31.24 H new ATOM 1362 N VAL A 88 67.003 -10.700 -11.055 1.00 0.24 N ATOM 1363 CA VAL A 88 68.255 -10.211 -10.403 1.00 65.43 C ATOM 1364 C VAL A 88 68.884 -11.321 -9.550 1.00 62.04 C ATOM 1365 O VAL A 88 68.399 -12.428 -9.576 1.00 2.43 O ATOM 1366 CB VAL A 88 68.032 -8.902 -9.550 1.00 34.42 C ATOM 1367 CG1 VAL A 88 68.265 -7.640 -10.376 1.00 53.13 C ATOM 1368 CG2 VAL A 88 66.650 -8.859 -8.970 1.00 52.45 C ATOM 0 H VAL A 88 66.643 -11.563 -10.647 1.00 0.24 H new ATOM 0 HA VAL A 88 68.945 -9.943 -11.203 1.00 65.43 H new ATOM 0 HB VAL A 88 68.762 -8.932 -8.741 1.00 34.42 H new ATOM 0 HG11 VAL A 88 68.101 -6.761 -9.752 1.00 53.13 H new ATOM 0 HG12 VAL A 88 69.289 -7.634 -10.750 1.00 53.13 H new ATOM 0 HG13 VAL A 88 67.571 -7.622 -11.217 1.00 53.13 H new ATOM 0 HG21 VAL A 88 66.528 -7.945 -8.388 1.00 52.45 H new ATOM 0 HG22 VAL A 88 65.916 -8.877 -9.776 1.00 52.45 H new ATOM 0 HG23 VAL A 88 66.500 -9.724 -8.324 1.00 52.45 H new ATOM 1378 N PRO A 89 70.034 -11.098 -8.868 1.00 11.32 N ATOM 1379 CA PRO A 89 70.609 -12.103 -7.979 1.00 74.43 C ATOM 1380 C PRO A 89 70.102 -11.968 -6.532 1.00 61.01 C ATOM 1381 O PRO A 89 70.623 -12.622 -5.622 1.00 1.24 O ATOM 1382 CB PRO A 89 72.129 -11.817 -8.045 1.00 25.13 C ATOM 1383 CG PRO A 89 72.282 -10.595 -8.913 1.00 40.51 C ATOM 1384 CD PRO A 89 70.933 -9.943 -8.973 1.00 22.11 C ATOM 0 HA PRO A 89 70.337 -13.114 -8.282 1.00 74.43 H new ATOM 0 HB2 PRO A 89 72.537 -11.643 -7.049 1.00 25.13 H new ATOM 0 HB3 PRO A 89 72.668 -12.665 -8.466 1.00 25.13 H new ATOM 0 HG2 PRO A 89 73.024 -9.914 -8.496 1.00 40.51 H new ATOM 0 HG3 PRO A 89 72.625 -10.868 -9.911 1.00 40.51 H new ATOM 0 HD2 PRO A 89 70.785 -9.235 -8.158 1.00 22.11 H new ATOM 0 HD3 PRO A 89 70.786 -9.394 -9.903 1.00 22.11 H new ATOM 1392 N SER A 90 69.105 -11.125 -6.335 1.00 72.45 N ATOM 1393 CA SER A 90 68.523 -10.893 -5.006 1.00 0.12 C ATOM 1394 C SER A 90 67.085 -10.377 -5.130 1.00 72.25 C ATOM 1395 O SER A 90 66.677 -9.978 -6.211 1.00 42.34 O ATOM 1396 CB SER A 90 69.401 -9.888 -4.246 1.00 14.22 C ATOM 1397 OG SER A 90 69.642 -8.727 -5.035 1.00 32.43 O ATOM 0 H SER A 90 68.671 -10.580 -7.080 1.00 72.45 H new ATOM 0 HA SER A 90 68.490 -11.832 -4.453 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.913 -9.604 -3.314 1.00 14.22 H new ATOM 0 HB3 SER A 90 70.349 -10.355 -3.980 1.00 14.22 H new ATOM 0 HG SER A 90 70.202 -8.100 -4.531 1.00 32.43 H new ATOM 1403 N PHE A 91 66.313 -10.368 -4.043 1.00 22.52 N ATOM 1404 CA PHE A 91 64.961 -9.863 -4.111 1.00 23.10 C ATOM 1405 C PHE A 91 64.555 -9.207 -2.788 1.00 42.12 C ATOM 1406 O PHE A 91 65.094 -9.519 -1.721 1.00 74.32 O ATOM 1407 CB PHE A 91 63.937 -10.952 -4.562 1.00 64.21 C ATOM 1408 CG PHE A 91 63.262 -11.777 -3.490 1.00 51.33 C ATOM 1409 CD1 PHE A 91 62.114 -11.305 -2.878 1.00 11.25 C ATOM 1410 CD2 PHE A 91 63.730 -13.020 -3.130 1.00 4.31 C ATOM 1411 CE1 PHE A 91 61.463 -12.042 -1.929 1.00 2.33 C ATOM 1412 CE2 PHE A 91 63.067 -13.771 -2.181 1.00 61.22 C ATOM 1413 CZ PHE A 91 61.936 -13.279 -1.579 1.00 72.40 C ATOM 0 H PHE A 91 66.603 -10.701 -3.124 1.00 22.52 H new ATOM 0 HA PHE A 91 64.943 -9.094 -4.884 1.00 23.10 H new ATOM 0 HB2 PHE A 91 63.158 -10.458 -5.143 1.00 64.21 H new ATOM 0 HB3 PHE A 91 64.452 -11.637 -5.236 1.00 64.21 H new ATOM 0 HD1 PHE A 91 61.725 -10.336 -3.156 1.00 11.25 H new ATOM 0 HD2 PHE A 91 64.623 -13.411 -3.594 1.00 4.31 H new ATOM 0 HE1 PHE A 91 60.576 -11.649 -1.455 1.00 2.33 H new ATOM 0 HE2 PHE A 91 63.439 -14.748 -1.911 1.00 61.22 H new ATOM 0 HZ PHE A 91 61.421 -13.865 -0.832 1.00 72.40 H new ATOM 1423 N SER A 92 63.627 -8.300 -2.865 1.00 13.21 N ATOM 1424 CA SER A 92 63.168 -7.595 -1.693 1.00 63.42 C ATOM 1425 C SER A 92 61.710 -7.930 -1.404 1.00 12.35 C ATOM 1426 O SER A 92 60.848 -7.766 -2.271 1.00 65.40 O ATOM 1427 CB SER A 92 63.351 -6.102 -1.910 1.00 64.34 C ATOM 1428 OG SER A 92 64.710 -5.811 -2.255 1.00 72.34 O ATOM 0 H SER A 92 63.166 -8.025 -3.733 1.00 13.21 H new ATOM 0 HA SER A 92 63.754 -7.905 -0.828 1.00 63.42 H new ATOM 0 HB2 SER A 92 62.686 -5.759 -2.703 1.00 64.34 H new ATOM 0 HB3 SER A 92 63.075 -5.560 -1.006 1.00 64.34 H new ATOM 0 HG SER A 92 64.813 -4.846 -2.394 1.00 72.34 H new ATOM 1434 N VAL A 93 61.440 -8.401 -0.187 1.00 15.21 N ATOM 1435 CA VAL A 93 60.087 -8.795 0.220 1.00 44.32 C ATOM 1436 C VAL A 93 59.104 -7.621 0.185 1.00 70.53 C ATOM 1437 O VAL A 93 57.923 -7.807 -0.067 1.00 62.34 O ATOM 1438 CB VAL A 93 60.072 -9.435 1.628 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.959 -10.657 1.672 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.493 -8.439 2.686 1.00 71.25 C ATOM 0 H VAL A 93 62.145 -8.520 0.541 1.00 15.21 H new ATOM 0 HA VAL A 93 59.763 -9.538 -0.509 1.00 44.32 H new ATOM 0 HB VAL A 93 59.048 -9.743 1.841 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.932 -11.090 2.672 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.603 -11.391 0.949 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.982 -10.373 1.427 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.473 -8.918 3.665 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.503 -8.089 2.474 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.807 -7.592 2.682 1.00 71.25 H new ATOM 1450 N LYS A 94 59.612 -6.407 0.434 1.00 25.30 N ATOM 1451 CA LYS A 94 58.789 -5.205 0.442 1.00 34.12 C ATOM 1452 C LYS A 94 58.200 -4.872 -0.918 1.00 43.13 C ATOM 1453 O LYS A 94 57.323 -3.997 -1.020 1.00 62.22 O ATOM 1454 CB LYS A 94 59.556 -4.011 0.980 1.00 44.32 C ATOM 1455 CG LYS A 94 60.106 -4.200 2.377 1.00 11.41 C ATOM 1456 CD LYS A 94 59.028 -4.603 3.362 1.00 61.24 C ATOM 1457 CE LYS A 94 59.591 -4.743 4.757 1.00 64.21 C ATOM 1458 NZ LYS A 94 59.998 -3.439 5.337 1.00 40.32 N ATOM 0 H LYS A 94 60.598 -6.238 0.633 1.00 25.30 H new ATOM 0 HA LYS A 94 57.956 -5.426 1.109 1.00 34.12 H new ATOM 0 HB2 LYS A 94 60.382 -3.791 0.304 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.900 -3.141 0.976 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.885 -4.963 2.360 1.00 11.41 H new ATOM 0 HG3 LYS A 94 60.574 -3.274 2.711 1.00 11.41 H new ATOM 0 HD2 LYS A 94 58.233 -3.858 3.361 1.00 61.24 H new ATOM 0 HD3 LYS A 94 58.581 -5.547 3.050 1.00 61.24 H new ATOM 0 HE2 LYS A 94 58.845 -5.207 5.402 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.452 -5.411 4.733 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 60.424 -3.593 6.273 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 60.692 -2.982 4.712 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 59.163 -2.826 5.433 1.00 40.32 H new ATOM 1472 N GLU A 95 58.648 -5.538 -1.959 1.00 41.22 N ATOM 1473 CA GLU A 95 58.060 -5.341 -3.241 1.00 25.25 C ATOM 1474 C GLU A 95 57.003 -6.388 -3.404 1.00 44.21 C ATOM 1475 O GLU A 95 57.200 -7.421 -4.029 1.00 11.24 O ATOM 1476 CB GLU A 95 59.039 -5.452 -4.357 1.00 62.12 C ATOM 1477 CG GLU A 95 60.195 -4.469 -4.313 1.00 1.24 C ATOM 1478 CD GLU A 95 59.728 -3.043 -4.268 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.991 -2.603 -5.177 1.00 35.23 O ATOM 1480 OE2 GLU A 95 60.044 -2.341 -3.307 1.00 30.24 O ATOM 0 H GLU A 95 59.412 -6.213 -1.932 1.00 41.22 H new ATOM 0 HA GLU A 95 57.656 -4.330 -3.287 1.00 25.25 H new ATOM 0 HB2 GLU A 95 59.445 -6.464 -4.362 1.00 62.12 H new ATOM 0 HB3 GLU A 95 58.507 -5.318 -5.299 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.811 -4.675 -3.438 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.827 -4.615 -5.189 1.00 1.24 H new ATOM 1487 N HIS A 96 55.909 -6.101 -2.819 1.00 61.03 N ATOM 1488 CA HIS A 96 54.783 -7.019 -2.673 1.00 22.11 C ATOM 1489 C HIS A 96 54.235 -7.435 -4.004 1.00 24.20 C ATOM 1490 O HIS A 96 53.950 -8.606 -4.224 1.00 4.12 O ATOM 1491 CB HIS A 96 53.656 -6.415 -1.816 1.00 0.11 C ATOM 1492 CG HIS A 96 54.029 -6.121 -0.388 1.00 4.44 C ATOM 1493 ND1 HIS A 96 53.299 -5.282 0.420 1.00 0.33 N ATOM 1494 CD2 HIS A 96 55.044 -6.582 0.379 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.837 -5.240 1.615 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.901 -6.019 1.623 1.00 71.43 N ATOM 0 H HIS A 96 55.736 -5.187 -2.400 1.00 61.03 H new ATOM 0 HA HIS A 96 55.170 -7.900 -2.161 1.00 22.11 H new ATOM 0 HB2 HIS A 96 53.319 -5.491 -2.285 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.809 -7.101 -1.820 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.821 -7.265 0.070 1.00 64.43 H new ATOM 0 HE1 HIS A 96 53.470 -4.664 2.452 1.00 53.21 H new ATOM 0 HE2 HIS A 96 55.516 -6.177 2.421 1.00 71.43 H new ATOM 1504 N ARG A 97 54.135 -6.498 -4.912 1.00 61.45 N ATOM 1505 CA ARG A 97 53.576 -6.780 -6.208 1.00 2.00 C ATOM 1506 C ARG A 97 54.546 -7.552 -7.061 1.00 60.51 C ATOM 1507 O ARG A 97 54.145 -8.276 -7.967 1.00 63.44 O ATOM 1508 CB ARG A 97 53.086 -5.524 -6.898 1.00 25.22 C ATOM 1509 CG ARG A 97 52.004 -4.811 -6.114 1.00 31.52 C ATOM 1510 CD ARG A 97 51.475 -3.620 -6.861 1.00 61.22 C ATOM 1511 NE ARG A 97 50.819 -3.997 -8.113 1.00 52.14 N ATOM 1512 CZ ARG A 97 50.316 -3.130 -8.992 1.00 35.43 C ATOM 1513 NH1 ARG A 97 50.428 -1.815 -8.786 1.00 32.04 N ATOM 1514 NH2 ARG A 97 49.707 -3.572 -10.073 1.00 50.15 N ATOM 0 H ARG A 97 54.434 -5.532 -4.777 1.00 61.45 H new ATOM 0 HA ARG A 97 52.701 -7.412 -6.057 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.926 -4.846 -7.049 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.703 -5.782 -7.885 1.00 25.22 H new ATOM 0 HG2 ARG A 97 51.188 -5.503 -5.906 1.00 31.52 H new ATOM 0 HG3 ARG A 97 52.402 -4.490 -5.151 1.00 31.52 H new ATOM 0 HD2 ARG A 97 50.767 -3.083 -6.230 1.00 61.22 H new ATOM 0 HD3 ARG A 97 52.295 -2.934 -7.075 1.00 61.22 H new ATOM 0 HE ARG A 97 50.741 -4.991 -8.328 1.00 52.14 H new ATOM 0 HH11 ARG A 97 50.901 -1.468 -7.952 1.00 32.04 H new ATOM 0 HH12 ARG A 97 50.041 -1.158 -9.463 1.00 32.04 H new ATOM 0 HH21 ARG A 97 49.621 -4.575 -10.236 1.00 50.15 H new ATOM 0 HH22 ARG A 97 49.321 -2.911 -10.747 1.00 50.15 H new ATOM 1528 N LYS A 98 55.822 -7.442 -6.749 1.00 3.30 N ATOM 1529 CA LYS A 98 56.812 -8.230 -7.447 1.00 1.24 C ATOM 1530 C LYS A 98 56.733 -9.651 -6.954 1.00 33.20 C ATOM 1531 O LYS A 98 56.931 -10.589 -7.714 1.00 63.32 O ATOM 1532 CB LYS A 98 58.215 -7.686 -7.268 1.00 62.12 C ATOM 1533 CG LYS A 98 58.411 -6.271 -7.769 1.00 4.31 C ATOM 1534 CD LYS A 98 58.052 -6.127 -9.240 1.00 4.22 C ATOM 1535 CE LYS A 98 58.254 -4.701 -9.724 1.00 21.35 C ATOM 1536 NZ LYS A 98 57.848 -4.534 -11.131 1.00 63.10 N ATOM 0 H LYS A 98 56.192 -6.824 -6.027 1.00 3.30 H new ATOM 0 HA LYS A 98 56.596 -8.185 -8.514 1.00 1.24 H new ATOM 0 HB2 LYS A 98 58.472 -7.721 -6.209 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.914 -8.342 -7.788 1.00 62.12 H new ATOM 0 HG2 LYS A 98 57.798 -5.590 -7.179 1.00 4.31 H new ATOM 0 HG3 LYS A 98 59.449 -5.975 -7.620 1.00 4.31 H new ATOM 0 HD2 LYS A 98 58.666 -6.804 -9.834 1.00 4.22 H new ATOM 0 HD3 LYS A 98 57.014 -6.421 -9.393 1.00 4.22 H new ATOM 0 HE2 LYS A 98 57.678 -4.020 -9.097 1.00 21.35 H new ATOM 0 HE3 LYS A 98 59.303 -4.426 -9.614 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 58.002 -3.547 -11.422 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 58.415 -5.165 -11.733 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 56.841 -4.772 -11.232 1.00 63.10 H new ATOM 1550 N ILE A 99 56.403 -9.801 -5.669 1.00 54.20 N ATOM 1551 CA ILE A 99 56.207 -11.113 -5.089 1.00 3.41 C ATOM 1552 C ILE A 99 55.047 -11.775 -5.808 1.00 32.52 C ATOM 1553 O ILE A 99 55.153 -12.914 -6.256 1.00 34.24 O ATOM 1554 CB ILE A 99 55.876 -11.074 -3.562 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.859 -10.185 -2.770 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.867 -12.487 -2.991 1.00 53.21 C ATOM 1557 CD1 ILE A 99 58.320 -10.535 -2.928 1.00 13.25 C ATOM 0 H ILE A 99 56.268 -9.026 -5.019 1.00 54.20 H new ATOM 0 HA ILE A 99 57.141 -11.663 -5.203 1.00 3.41 H new ATOM 0 HB ILE A 99 54.885 -10.632 -3.457 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.715 -9.150 -3.079 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.602 -10.241 -1.712 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.635 -12.448 -1.927 1.00 53.21 H new ATOM 0 HG22 ILE A 99 55.112 -13.082 -3.505 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.847 -12.943 -3.132 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.924 -9.851 -2.332 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.488 -11.557 -2.590 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.603 -10.449 -3.977 1.00 13.25 H new ATOM 1569 N TYR A 100 53.955 -11.017 -5.964 1.00 43.11 N ATOM 1570 CA TYR A 100 52.760 -11.518 -6.638 1.00 15.13 C ATOM 1571 C TYR A 100 53.088 -11.931 -8.047 1.00 34.44 C ATOM 1572 O TYR A 100 52.761 -13.030 -8.458 1.00 3.54 O ATOM 1573 CB TYR A 100 51.625 -10.482 -6.688 1.00 21.14 C ATOM 1574 CG TYR A 100 51.252 -9.871 -5.365 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.332 -10.590 -4.180 1.00 64.34 C ATOM 1576 CD2 TYR A 100 50.825 -8.558 -5.305 1.00 74.45 C ATOM 1577 CE1 TYR A 100 51.006 -10.012 -2.982 1.00 62.13 C ATOM 1578 CE2 TYR A 100 50.491 -7.972 -4.114 1.00 71.11 C ATOM 1579 CZ TYR A 100 50.582 -8.694 -2.952 1.00 51.34 C ATOM 1580 OH TYR A 100 50.260 -8.099 -1.751 1.00 40.22 O ATOM 0 H TYR A 100 53.878 -10.056 -5.632 1.00 43.11 H new ATOM 0 HA TYR A 100 52.417 -12.372 -6.054 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.915 -9.682 -7.370 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.740 -10.957 -7.112 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.656 -11.620 -4.203 1.00 64.34 H new ATOM 0 HD2 TYR A 100 50.753 -7.983 -6.216 1.00 74.45 H new ATOM 0 HE1 TYR A 100 51.079 -10.580 -2.067 1.00 62.13 H new ATOM 0 HE2 TYR A 100 50.157 -6.945 -4.090 1.00 71.11 H new ATOM 0 HH TYR A 100 50.854 -8.437 -1.049 1.00 40.22 H new ATOM 1590 N THR A 101 53.796 -11.076 -8.757 1.00 71.31 N ATOM 1591 CA THR A 101 54.114 -11.328 -10.139 1.00 4.12 C ATOM 1592 C THR A 101 55.063 -12.510 -10.323 1.00 22.22 C ATOM 1593 O THR A 101 54.901 -13.275 -11.251 1.00 14.53 O ATOM 1594 CB THR A 101 54.599 -10.062 -10.887 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.521 -9.328 -10.074 1.00 1.34 O ATOM 1596 CG2 THR A 101 53.422 -9.172 -11.258 1.00 55.24 C ATOM 0 H THR A 101 54.162 -10.196 -8.392 1.00 71.31 H new ATOM 0 HA THR A 101 53.173 -11.616 -10.608 1.00 4.12 H new ATOM 0 HB THR A 101 55.101 -10.379 -11.801 1.00 52.21 H new ATOM 0 HG1 THR A 101 55.028 -8.823 -9.394 1.00 1.34 H new ATOM 0 HG21 THR A 101 53.785 -8.288 -11.783 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.739 -9.723 -11.905 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.897 -8.866 -10.353 1.00 55.24 H new ATOM 1604 N MET A 102 56.001 -12.699 -9.395 1.00 34.35 N ATOM 1605 CA MET A 102 56.919 -13.847 -9.461 1.00 63.42 C ATOM 1606 C MET A 102 56.170 -15.159 -9.318 1.00 13.22 C ATOM 1607 O MET A 102 56.488 -16.155 -9.984 1.00 73.13 O ATOM 1608 CB MET A 102 58.035 -13.761 -8.413 1.00 43.15 C ATOM 1609 CG MET A 102 59.119 -12.748 -8.739 1.00 11.42 C ATOM 1610 SD MET A 102 60.427 -12.688 -7.499 1.00 45.04 S ATOM 1611 CE MET A 102 59.552 -11.996 -6.105 1.00 54.24 C ATOM 0 H MET A 102 56.148 -12.083 -8.596 1.00 34.35 H new ATOM 0 HA MET A 102 57.385 -13.813 -10.446 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.594 -13.507 -7.449 1.00 43.15 H new ATOM 0 HB3 MET A 102 58.493 -14.744 -8.305 1.00 43.15 H new ATOM 0 HG2 MET A 102 59.556 -12.991 -9.708 1.00 11.42 H new ATOM 0 HG3 MET A 102 58.669 -11.760 -8.831 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.260 -11.767 -5.308 1.00 54.24 H new ATOM 0 HE2 MET A 102 59.043 -11.082 -6.412 1.00 54.24 H new ATOM 0 HE3 MET A 102 58.818 -12.716 -5.742 1.00 54.24 H new ATOM 1621 N ILE A 103 55.150 -15.140 -8.493 1.00 3.21 N ATOM 1622 CA ILE A 103 54.340 -16.313 -8.241 1.00 52.20 C ATOM 1623 C ILE A 103 53.339 -16.492 -9.380 1.00 5.52 C ATOM 1624 O ILE A 103 53.134 -17.585 -9.870 1.00 70.30 O ATOM 1625 CB ILE A 103 53.606 -16.184 -6.882 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.644 -15.998 -5.760 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.740 -17.419 -6.619 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.056 -15.627 -4.412 1.00 2.12 C ATOM 0 H ILE A 103 54.856 -14.311 -7.976 1.00 3.21 H new ATOM 0 HA ILE A 103 54.984 -17.191 -8.192 1.00 52.20 H new ATOM 0 HB ILE A 103 52.948 -15.315 -6.909 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.213 -16.922 -5.652 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.349 -15.223 -6.060 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.233 -17.310 -5.660 1.00 5.55 H new ATOM 0 HG22 ILE A 103 51.999 -17.520 -7.412 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.371 -18.308 -6.597 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.859 -15.516 -3.683 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.512 -14.686 -4.499 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.374 -16.411 -4.084 1.00 2.12 H new ATOM 1640 N TYR A 104 52.768 -15.392 -9.811 1.00 40.11 N ATOM 1641 CA TYR A 104 51.824 -15.352 -10.916 1.00 44.15 C ATOM 1642 C TYR A 104 52.470 -15.789 -12.232 1.00 13.14 C ATOM 1643 O TYR A 104 51.830 -16.404 -13.083 1.00 40.12 O ATOM 1644 CB TYR A 104 51.192 -13.946 -10.984 1.00 10.23 C ATOM 1645 CG TYR A 104 51.028 -13.342 -12.352 1.00 54.34 C ATOM 1646 CD1 TYR A 104 52.056 -12.600 -12.904 1.00 23.41 C ATOM 1647 CD2 TYR A 104 49.857 -13.485 -13.074 1.00 54.33 C ATOM 1648 CE1 TYR A 104 51.928 -12.015 -14.136 1.00 54.14 C ATOM 1649 CE2 TYR A 104 49.716 -12.897 -14.310 1.00 5.31 C ATOM 1650 CZ TYR A 104 50.756 -12.160 -14.835 1.00 60.51 C ATOM 1651 OH TYR A 104 50.622 -11.565 -16.072 1.00 1.15 O ATOM 0 H TYR A 104 52.947 -14.477 -9.398 1.00 40.11 H new ATOM 0 HA TYR A 104 51.026 -16.073 -10.742 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.210 -13.992 -10.513 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.802 -13.270 -10.385 1.00 10.23 H new ATOM 0 HD1 TYR A 104 52.977 -12.479 -12.353 1.00 23.41 H new ATOM 0 HD2 TYR A 104 49.044 -14.065 -12.663 1.00 54.33 H new ATOM 0 HE1 TYR A 104 52.744 -11.444 -14.554 1.00 54.14 H new ATOM 0 HE2 TYR A 104 48.797 -13.012 -14.865 1.00 5.31 H new ATOM 0 HH TYR A 104 49.734 -11.764 -16.436 1.00 1.15 H new ATOM 1661 N ARG A 105 53.731 -15.482 -12.379 1.00 53.53 N ATOM 1662 CA ARG A 105 54.509 -15.869 -13.542 1.00 5.51 C ATOM 1663 C ARG A 105 54.781 -17.360 -13.491 1.00 13.24 C ATOM 1664 O ARG A 105 54.896 -18.026 -14.516 1.00 2.23 O ATOM 1665 CB ARG A 105 55.820 -15.081 -13.542 1.00 24.32 C ATOM 1666 CG ARG A 105 56.804 -15.408 -14.646 1.00 13.52 C ATOM 1667 CD ARG A 105 58.013 -14.514 -14.514 1.00 62.13 C ATOM 1668 NE ARG A 105 59.069 -14.814 -15.482 1.00 23.52 N ATOM 1669 CZ ARG A 105 60.315 -14.329 -15.395 1.00 63.44 C ATOM 1670 NH1 ARG A 105 60.627 -13.491 -14.415 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.238 -14.673 -16.290 1.00 43.11 N ATOM 0 H ARG A 105 54.261 -14.949 -11.689 1.00 53.53 H new ATOM 0 HA ARG A 105 53.960 -15.648 -14.457 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.580 -14.019 -13.602 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.315 -15.242 -12.584 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.102 -16.455 -14.585 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.336 -15.266 -15.620 1.00 13.52 H new ATOM 0 HD2 ARG A 105 57.703 -13.476 -14.636 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.417 -14.609 -13.506 1.00 62.13 H new ATOM 0 HE ARG A 105 58.844 -15.426 -16.266 1.00 23.52 H new ATOM 0 HH11 ARG A 105 59.920 -13.219 -13.732 1.00 4.40 H new ATOM 0 HH12 ARG A 105 61.574 -13.119 -14.344 1.00 4.40 H new ATOM 0 HH21 ARG A 105 60.999 -15.310 -17.050 1.00 43.11 H new ATOM 0 HH22 ARG A 105 62.184 -14.299 -16.216 1.00 43.11 H new ATOM 1685 N ASN A 106 54.826 -17.879 -12.288 1.00 14.40 N ATOM 1686 CA ASN A 106 55.122 -19.276 -12.072 1.00 75.13 C ATOM 1687 C ASN A 106 53.904 -20.108 -11.802 1.00 64.35 C ATOM 1688 O ASN A 106 54.007 -21.279 -11.433 1.00 43.10 O ATOM 1689 CB ASN A 106 56.210 -19.506 -11.044 1.00 32.11 C ATOM 1690 CG ASN A 106 57.581 -19.235 -11.616 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.191 -20.111 -12.213 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.090 -18.050 -11.432 1.00 61.11 N ATOM 0 H ASN A 106 54.659 -17.348 -11.433 1.00 14.40 H new ATOM 0 HA ASN A 106 55.523 -19.626 -13.023 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.040 -18.860 -10.183 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.161 -20.534 -10.686 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.020 -17.833 -11.790 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.558 -17.339 -10.930 1.00 61.11 H new ATOM 1699 N LEU A 107 52.764 -19.516 -11.952 1.00 34.24 N ATOM 1700 CA LEU A 107 51.548 -20.279 -11.947 1.00 22.31 C ATOM 1701 C LEU A 107 51.095 -20.394 -13.379 1.00 22.33 C ATOM 1702 O LEU A 107 51.558 -19.625 -14.243 1.00 3.21 O ATOM 1703 CB LEU A 107 50.445 -19.691 -11.011 1.00 10.31 C ATOM 1704 CG LEU A 107 49.792 -18.359 -11.400 1.00 32.14 C ATOM 1705 CD1 LEU A 107 48.655 -18.540 -12.395 1.00 53.04 C ATOM 1706 CD2 LEU A 107 49.327 -17.599 -10.181 1.00 33.10 C ATOM 0 H LEU A 107 52.644 -18.511 -12.079 1.00 34.24 H new ATOM 0 HA LEU A 107 51.738 -21.266 -11.526 1.00 22.31 H new ATOM 0 HB2 LEU A 107 49.654 -20.435 -10.922 1.00 10.31 H new ATOM 0 HB3 LEU A 107 50.881 -19.570 -10.019 1.00 10.31 H new ATOM 0 HG LEU A 107 50.561 -17.768 -11.897 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.226 -17.568 -12.638 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.037 -19.005 -13.303 1.00 53.04 H new ATOM 0 HD13 LEU A 107 47.886 -19.177 -11.957 1.00 53.04 H new ATOM 0 HD21 LEU A 107 48.869 -16.660 -10.491 1.00 33.10 H new ATOM 0 HD22 LEU A 107 48.596 -18.197 -9.636 1.00 33.10 H new ATOM 0 HD23 LEU A 107 50.180 -17.391 -9.535 1.00 33.10 H new ATOM 1718 N VAL A 108 50.247 -21.325 -13.669 1.00 63.11 N ATOM 1719 CA VAL A 108 49.817 -21.477 -15.042 1.00 1.01 C ATOM 1720 C VAL A 108 48.380 -21.082 -15.237 1.00 71.42 C ATOM 1721 O VAL A 108 47.501 -21.418 -14.426 1.00 31.43 O ATOM 1722 CB VAL A 108 50.117 -22.860 -15.698 1.00 35.03 C ATOM 1723 CG1 VAL A 108 51.591 -23.188 -15.639 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.301 -23.973 -15.102 1.00 72.10 C ATOM 0 H VAL A 108 49.840 -21.982 -13.003 1.00 63.11 H new ATOM 0 HA VAL A 108 50.450 -20.773 -15.583 1.00 1.01 H new ATOM 0 HB VAL A 108 49.823 -22.773 -16.744 1.00 35.03 H new ATOM 0 HG11 VAL A 108 51.767 -24.158 -16.104 1.00 45.42 H new ATOM 0 HG12 VAL A 108 52.156 -22.422 -16.171 1.00 45.42 H new ATOM 0 HG13 VAL A 108 51.915 -23.221 -14.599 1.00 45.42 H new ATOM 0 HG21 VAL A 108 49.551 -24.912 -15.596 1.00 72.10 H new ATOM 0 HG22 VAL A 108 49.519 -24.054 -14.037 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.241 -23.761 -15.240 1.00 72.10 H new ATOM 1734 N VAL A 109 48.162 -20.354 -16.281 1.00 53.02 N ATOM 1735 CA VAL A 109 46.878 -19.904 -16.697 1.00 54.14 C ATOM 1736 C VAL A 109 46.808 -20.007 -18.193 1.00 41.24 C ATOM 1737 O VAL A 109 45.956 -20.739 -18.710 1.00 0.00 O ATOM 1738 CB VAL A 109 46.507 -18.466 -16.212 1.00 42.33 C ATOM 1739 CG1 VAL A 109 45.984 -18.495 -14.782 1.00 54.03 C ATOM 1740 CG2 VAL A 109 47.714 -17.575 -16.275 1.00 33.31 C ATOM 1741 OXT VAL A 109 47.692 -19.440 -18.871 1.00 0.00 O ATOM 0 H VAL A 109 48.913 -20.042 -16.897 1.00 53.02 H new ATOM 0 HA VAL A 109 46.136 -20.547 -16.224 1.00 54.14 H new ATOM 0 HB VAL A 109 45.727 -18.079 -16.868 1.00 42.33 H new ATOM 0 HG11 VAL A 109 45.732 -17.483 -14.466 1.00 54.03 H new ATOM 0 HG12 VAL A 109 45.094 -19.122 -14.733 1.00 54.03 H new ATOM 0 HG13 VAL A 109 46.751 -18.901 -14.122 1.00 54.03 H new ATOM 0 HG21 VAL A 109 47.446 -16.575 -15.935 1.00 33.31 H new ATOM 0 HG22 VAL A 109 48.498 -17.978 -15.634 1.00 33.31 H new ATOM 0 HG23 VAL A 109 48.076 -17.524 -17.302 1.00 33.31 H new TER 1751 VAL A 109 ATOM 1752 N ASP B 301 65.410 -1.969 9.527 1.00 70.03 N ATOM 1753 CA ASP B 301 64.134 -1.872 8.798 1.00 40.31 C ATOM 1754 C ASP B 301 62.957 -1.742 9.734 1.00 43.41 C ATOM 1755 O ASP B 301 61.940 -1.119 9.414 1.00 3.22 O ATOM 1756 CB ASP B 301 63.973 -3.028 7.812 1.00 55.03 C ATOM 1757 CG ASP B 301 62.648 -3.044 7.083 1.00 52.13 C ATOM 1758 OD1 ASP B 301 62.287 -2.047 6.444 1.00 23.31 O ATOM 1759 OD2 ASP B 301 61.951 -4.085 7.114 1.00 11.23 O ATOM 0 HA ASP B 301 64.157 -0.953 8.212 1.00 40.31 H new ATOM 0 HB2 ASP B 301 64.778 -2.979 7.078 1.00 55.03 H new ATOM 0 HB3 ASP B 301 64.090 -3.968 8.351 1.00 55.03 H new ATOM 1766 N GLY B 302 63.104 -2.288 10.876 1.00 32.14 N ATOM 1767 CA GLY B 302 62.101 -2.197 11.870 1.00 10.15 C ATOM 1768 C GLY B 302 62.273 -3.250 12.912 1.00 44.11 C ATOM 1769 O GLY B 302 63.379 -3.479 13.403 1.00 74.13 O ATOM 0 H GLY B 302 63.930 -2.817 11.155 1.00 32.14 H new ATOM 0 HA2 GLY B 302 62.136 -1.212 12.336 1.00 10.15 H new ATOM 0 HA3 GLY B 302 61.119 -2.296 11.408 1.00 10.15 H new ATOM 1773 N GLY B 303 61.211 -3.913 13.203 1.00 50.33 N ATOM 1774 CA GLY B 303 61.197 -4.930 14.222 1.00 63.40 C ATOM 1775 C GLY B 303 60.248 -6.037 13.872 1.00 53.01 C ATOM 1776 O GLY B 303 59.489 -6.519 14.715 1.00 2.33 O ATOM 0 H GLY B 303 60.312 -3.772 12.742 1.00 50.33 H new ATOM 0 HA2 GLY B 303 62.201 -5.335 14.349 1.00 63.40 H new ATOM 0 HA3 GLY B 303 60.909 -4.488 15.176 1.00 63.40 H new ATOM 1780 N THR B 304 60.283 -6.433 12.642 1.00 72.21 N ATOM 1781 CA THR B 304 59.448 -7.481 12.151 1.00 53.02 C ATOM 1782 C THR B 304 60.337 -8.491 11.415 1.00 61.42 C ATOM 1783 O THR B 304 61.094 -8.124 10.499 1.00 41.25 O ATOM 1784 CB THR B 304 58.293 -6.902 11.244 1.00 73.35 C ATOM 1785 OG1 THR B 304 57.412 -7.935 10.770 1.00 53.13 O ATOM 1786 CG2 THR B 304 58.830 -6.102 10.062 1.00 11.42 C ATOM 0 H THR B 304 60.902 -6.031 11.938 1.00 72.21 H new ATOM 0 HA THR B 304 58.947 -7.993 12.973 1.00 53.02 H new ATOM 0 HB THR B 304 57.725 -6.226 11.883 1.00 73.35 H new ATOM 0 HG1 THR B 304 56.959 -8.354 11.532 1.00 53.13 H new ATOM 0 HG21 THR B 304 57.997 -5.725 9.469 1.00 11.42 H new ATOM 0 HG22 THR B 304 59.422 -5.264 10.429 1.00 11.42 H new ATOM 0 HG23 THR B 304 59.455 -6.744 9.442 1.00 11.42 H new ATOM 1794 N THR B 305 60.322 -9.731 11.858 1.00 33.52 N ATOM 1795 CA THR B 305 61.166 -10.720 11.257 1.00 3.31 C ATOM 1796 C THR B 305 60.565 -11.219 9.933 1.00 54.44 C ATOM 1797 O THR B 305 59.383 -10.960 9.634 1.00 34.54 O ATOM 1798 CB THR B 305 61.473 -11.906 12.221 1.00 43.20 C ATOM 1799 OG1 THR B 305 62.528 -12.703 11.674 1.00 13.01 O ATOM 1800 CG2 THR B 305 60.252 -12.794 12.428 1.00 31.13 C ATOM 0 H THR B 305 59.739 -10.067 12.624 1.00 33.52 H new ATOM 0 HA THR B 305 62.120 -10.239 11.042 1.00 3.31 H new ATOM 0 HB THR B 305 61.763 -11.484 13.183 1.00 43.20 H new ATOM 0 HG1 THR B 305 62.723 -13.448 12.280 1.00 13.01 H new ATOM 0 HG21 THR B 305 60.506 -13.609 13.106 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.442 -12.204 12.857 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.934 -13.205 11.470 1.00 31.13 H new ATOM 1808 N PHE B 306 61.365 -11.965 9.184 1.00 23.43 N ATOM 1809 CA PHE B 306 61.003 -12.470 7.866 1.00 31.21 C ATOM 1810 C PHE B 306 59.729 -13.297 7.942 1.00 61.12 C ATOM 1811 O PHE B 306 58.795 -13.100 7.181 1.00 3.43 O ATOM 1812 CB PHE B 306 62.162 -13.311 7.304 1.00 53.41 C ATOM 1813 CG PHE B 306 61.890 -13.911 5.964 1.00 65.10 C ATOM 1814 CD1 PHE B 306 61.867 -13.117 4.832 1.00 42.23 C ATOM 1815 CD2 PHE B 306 61.641 -15.265 5.838 1.00 73.14 C ATOM 1816 CE1 PHE B 306 61.606 -13.661 3.599 1.00 4.02 C ATOM 1817 CE2 PHE B 306 61.377 -15.818 4.611 1.00 14.34 C ATOM 1818 CZ PHE B 306 61.359 -15.013 3.488 1.00 41.22 C ATOM 0 H PHE B 306 62.301 -12.242 9.480 1.00 23.43 H new ATOM 0 HA PHE B 306 60.817 -11.628 7.199 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.051 -12.684 7.235 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.390 -14.111 8.008 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.056 -12.057 4.919 1.00 42.23 H new ATOM 0 HD2 PHE B 306 61.655 -15.894 6.716 1.00 73.14 H new ATOM 0 HE1 PHE B 306 61.594 -13.033 2.720 1.00 4.02 H new ATOM 0 HE2 PHE B 306 61.184 -16.877 4.523 1.00 14.34 H new ATOM 0 HZ PHE B 306 61.151 -15.444 2.520 1.00 41.22 H new ATOM 1828 N GLU B 307 59.684 -14.142 8.937 1.00 22.24 N ATOM 1829 CA GLU B 307 58.579 -15.065 9.178 1.00 73.43 C ATOM 1830 C GLU B 307 57.267 -14.323 9.471 1.00 33.30 C ATOM 1831 O GLU B 307 56.176 -14.870 9.315 1.00 31.35 O ATOM 1832 CB GLU B 307 58.958 -15.930 10.355 1.00 34.14 C ATOM 1833 CG GLU B 307 60.257 -16.666 10.133 1.00 23.45 C ATOM 1834 CD GLU B 307 60.772 -17.318 11.375 1.00 64.23 C ATOM 1835 OE1 GLU B 307 60.335 -18.431 11.706 1.00 13.13 O ATOM 1836 OE2 GLU B 307 61.625 -16.721 12.051 1.00 53.15 O ATOM 0 H GLU B 307 60.430 -14.219 9.628 1.00 22.24 H new ATOM 0 HA GLU B 307 58.409 -15.666 8.285 1.00 73.43 H new ATOM 0 HB2 GLU B 307 59.043 -15.309 11.247 1.00 34.14 H new ATOM 0 HB3 GLU B 307 58.163 -16.651 10.544 1.00 34.14 H new ATOM 0 HG2 GLU B 307 60.113 -17.424 9.363 1.00 23.45 H new ATOM 0 HG3 GLU B 307 61.005 -15.968 9.757 1.00 23.45 H new ATOM 1843 N HIS B 308 57.385 -13.086 9.873 1.00 4.31 N ATOM 1844 CA HIS B 308 56.231 -12.287 10.212 1.00 63.23 C ATOM 1845 C HIS B 308 55.796 -11.472 9.006 1.00 43.42 C ATOM 1846 O HIS B 308 54.618 -11.437 8.656 1.00 4.03 O ATOM 1847 CB HIS B 308 56.570 -11.342 11.371 1.00 63.24 C ATOM 1848 CG HIS B 308 55.394 -10.578 11.916 1.00 24.31 C ATOM 1849 ND1 HIS B 308 55.392 -9.213 12.073 1.00 22.21 N ATOM 1850 CD2 HIS B 308 54.189 -11.003 12.354 1.00 2.42 C ATOM 1851 CE1 HIS B 308 54.245 -8.825 12.581 1.00 61.43 C ATOM 1852 NE2 HIS B 308 53.491 -9.892 12.761 1.00 65.13 N ATOM 0 H HIS B 308 58.277 -12.603 9.975 1.00 4.31 H new ATOM 0 HA HIS B 308 55.420 -12.950 10.514 1.00 63.23 H new ATOM 0 HB2 HIS B 308 57.016 -11.923 12.178 1.00 63.24 H new ATOM 0 HB3 HIS B 308 57.325 -10.631 11.035 1.00 63.24 H new ATOM 0 HD2 HIS B 308 53.840 -12.025 12.379 1.00 2.42 H new ATOM 0 HE1 HIS B 308 53.967 -7.807 12.812 1.00 61.43 H new ATOM 0 HE2 HIS B 308 52.544 -9.892 13.140 1.00 65.13 H new ATOM 1860 N LEU B 309 56.754 -10.844 8.366 1.00 64.14 N ATOM 1861 CA LEU B 309 56.473 -9.933 7.276 1.00 52.01 C ATOM 1862 C LEU B 309 56.093 -10.637 5.954 1.00 42.30 C ATOM 1863 O LEU B 309 55.250 -10.149 5.208 1.00 13.44 O ATOM 1864 CB LEU B 309 57.622 -8.887 7.117 1.00 30.00 C ATOM 1865 CG LEU B 309 59.085 -9.389 6.904 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.275 -10.089 5.580 1.00 10.42 C ATOM 1867 CD2 LEU B 309 60.073 -8.246 7.031 1.00 12.40 C ATOM 0 H LEU B 309 57.745 -10.947 8.583 1.00 64.14 H new ATOM 0 HA LEU B 309 55.570 -9.385 7.546 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.368 -8.247 6.272 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.618 -8.257 8.006 1.00 30.00 H new ATOM 0 HG LEU B 309 59.276 -10.120 7.689 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.311 -10.416 5.487 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.615 -10.955 5.528 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.037 -9.402 4.768 1.00 10.42 H new ATOM 0 HD21 LEU B 309 61.085 -8.621 6.879 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.850 -7.488 6.281 1.00 12.40 H new ATOM 0 HD23 LEU B 309 59.995 -7.806 8.025 1.00 12.40 H new ATOM 1879 N TRP B 310 56.659 -11.805 5.730 1.00 43.14 N ATOM 1880 CA TRP B 310 56.489 -12.538 4.481 1.00 14.01 C ATOM 1881 C TRP B 310 55.134 -13.200 4.447 1.00 31.23 C ATOM 1882 O TRP B 310 54.432 -13.152 3.449 1.00 14.12 O ATOM 1883 CB TRP B 310 57.637 -13.561 4.328 1.00 43.11 C ATOM 1884 CG TRP B 310 57.540 -14.485 3.152 1.00 74.31 C ATOM 1885 CD1 TRP B 310 57.128 -15.766 3.179 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.870 -14.207 1.787 1.00 15.41 C ATOM 1887 NE1 TRP B 310 57.176 -16.311 1.923 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.622 -15.381 1.051 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.341 -13.093 1.120 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.834 -15.466 -0.319 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.549 -13.173 -0.236 1.00 70.43 C ATOM 1892 CH2 TRP B 310 58.296 -14.351 -0.946 1.00 52.42 C ATOM 0 H TRP B 310 57.254 -12.279 6.409 1.00 43.14 H new ATOM 0 HA TRP B 310 56.534 -11.851 3.636 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.578 -13.014 4.259 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.684 -14.163 5.235 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.805 -16.291 4.066 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.916 -17.268 1.684 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.542 -12.176 1.654 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.640 -16.379 -0.863 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.916 -12.306 -0.766 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.471 -14.376 -2.011 1.00 52.42 H new ATOM 1903 N SER B 311 54.741 -13.733 5.578 1.00 14.42 N ATOM 1904 CA SER B 311 53.473 -14.419 5.727 1.00 14.14 C ATOM 1905 C SER B 311 52.300 -13.417 5.687 1.00 41.41 C ATOM 1906 O SER B 311 51.128 -13.794 5.633 1.00 31.14 O ATOM 1907 CB SER B 311 53.483 -15.142 7.072 1.00 42.43 C ATOM 1908 OG SER B 311 54.698 -15.867 7.245 1.00 14.24 O ATOM 0 H SER B 311 55.296 -13.704 6.433 1.00 14.42 H new ATOM 0 HA SER B 311 53.341 -15.126 4.908 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.367 -14.419 7.880 1.00 42.43 H new ATOM 0 HB3 SER B 311 52.635 -15.824 7.130 1.00 42.43 H new ATOM 0 HG SER B 311 55.150 -15.558 8.058 1.00 14.24 H new ATOM 1914 N SER B 312 52.637 -12.150 5.728 1.00 1.11 N ATOM 1915 CA SER B 312 51.666 -11.110 5.800 1.00 11.44 C ATOM 1916 C SER B 312 51.707 -10.180 4.575 1.00 60.40 C ATOM 1917 O SER B 312 51.124 -9.084 4.606 1.00 41.34 O ATOM 1918 CB SER B 312 51.926 -10.328 7.075 1.00 21.31 C ATOM 1919 OG SER B 312 51.912 -11.201 8.204 1.00 22.34 O ATOM 0 H SER B 312 53.602 -11.820 5.712 1.00 1.11 H new ATOM 0 HA SER B 312 50.669 -11.551 5.808 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.890 -9.823 7.010 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.168 -9.554 7.196 1.00 21.31 H new ATOM 0 HG SER B 312 52.832 -11.384 8.488 1.00 22.34 H new ATOM 1925 N LEU B 313 52.348 -10.590 3.478 1.00 4.23 N ATOM 1926 CA LEU B 313 52.456 -9.668 2.354 1.00 14.51 C ATOM 1927 C LEU B 313 51.463 -9.981 1.254 1.00 52.23 C ATOM 1928 O LEU B 313 51.542 -9.440 0.147 1.00 52.02 O ATOM 1929 CB LEU B 313 53.913 -9.534 1.858 1.00 61.41 C ATOM 1930 CG LEU B 313 54.647 -10.776 1.348 1.00 1.40 C ATOM 1931 CD1 LEU B 313 54.120 -11.239 0.005 1.00 73.31 C ATOM 1932 CD2 LEU B 313 56.122 -10.489 1.267 1.00 23.23 C ATOM 0 H LEU B 313 52.778 -11.506 3.348 1.00 4.23 H new ATOM 0 HA LEU B 313 52.176 -8.679 2.717 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.919 -8.797 1.055 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.501 -9.119 2.677 1.00 61.41 H new ATOM 0 HG LEU B 313 54.469 -11.587 2.054 1.00 1.40 H new ATOM 0 HD11 LEU B 313 54.671 -12.123 -0.317 1.00 73.31 H new ATOM 0 HD12 LEU B 313 53.062 -11.484 0.094 1.00 73.31 H new ATOM 0 HD13 LEU B 313 54.248 -10.444 -0.730 1.00 73.31 H new ATOM 0 HD21 LEU B 313 56.645 -11.373 0.904 1.00 23.23 H new ATOM 0 HD22 LEU B 313 56.294 -9.659 0.582 1.00 23.23 H new ATOM 0 HD23 LEU B 313 56.496 -10.227 2.256 1.00 23.23 H new ATOM 1944 N GLU B 314 50.491 -10.784 1.605 1.00 50.02 N ATOM 1945 CA GLU B 314 49.466 -11.262 0.694 1.00 22.11 C ATOM 1946 C GLU B 314 48.535 -10.106 0.279 1.00 24.03 C ATOM 1947 O GLU B 314 48.417 -9.105 1.004 1.00 52.11 O ATOM 1948 CB GLU B 314 48.665 -12.357 1.398 1.00 41.12 C ATOM 1949 CG GLU B 314 47.912 -11.858 2.610 1.00 31.33 C ATOM 1950 CD GLU B 314 47.323 -12.959 3.424 1.00 73.45 C ATOM 1951 OE1 GLU B 314 46.227 -13.464 3.080 1.00 13.23 O ATOM 1952 OE2 GLU B 314 47.930 -13.341 4.441 1.00 40.53 O ATOM 0 H GLU B 314 50.382 -11.136 2.556 1.00 50.02 H new ATOM 0 HA GLU B 314 49.931 -11.661 -0.207 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.957 -12.791 0.692 1.00 41.12 H new ATOM 0 HB3 GLU B 314 49.342 -13.155 1.702 1.00 41.12 H new ATOM 0 HG2 GLU B 314 48.587 -11.273 3.235 1.00 31.33 H new ATOM 0 HG3 GLU B 314 47.116 -11.188 2.286 1.00 31.33 H new ATOM 1959 N PRO B 315 47.895 -10.209 -0.889 1.00 10.45 N ATOM 1960 CA PRO B 315 47.010 -9.166 -1.381 1.00 54.32 C ATOM 1961 C PRO B 315 45.615 -9.236 -0.761 1.00 3.22 C ATOM 1962 O PRO B 315 45.183 -8.311 -0.070 1.00 2.51 O ATOM 1963 CB PRO B 315 46.959 -9.425 -2.892 1.00 25.23 C ATOM 1964 CG PRO B 315 47.314 -10.876 -3.076 1.00 44.42 C ATOM 1965 CD PRO B 315 47.988 -11.353 -1.820 1.00 62.12 C ATOM 0 HA PRO B 315 47.370 -8.170 -1.124 1.00 54.32 H new ATOM 0 HB2 PRO B 315 45.967 -9.212 -3.291 1.00 25.23 H new ATOM 0 HB3 PRO B 315 47.661 -8.781 -3.422 1.00 25.23 H new ATOM 0 HG2 PRO B 315 46.419 -11.465 -3.275 1.00 44.42 H new ATOM 0 HG3 PRO B 315 47.975 -11.001 -3.934 1.00 44.42 H new ATOM 0 HD2 PRO B 315 47.492 -12.235 -1.415 1.00 62.12 H new ATOM 0 HD3 PRO B 315 49.026 -11.628 -2.007 1.00 62.12 H new ATOM 1973 N ASP B 316 44.947 -10.330 -0.983 1.00 41.21 N ATOM 1974 CA ASP B 316 43.606 -10.558 -0.541 1.00 41.22 C ATOM 1975 C ASP B 316 43.346 -12.016 -0.732 1.00 10.30 C ATOM 1976 O ASP B 316 43.412 -12.754 0.251 1.00 0.00 O ATOM 1977 CB ASP B 316 42.623 -9.716 -1.363 1.00 11.05 C ATOM 1978 CG ASP B 316 41.164 -9.991 -1.059 1.00 61.13 C ATOM 1979 OD1 ASP B 316 40.623 -9.434 -0.090 1.00 52.21 O ATOM 1980 OD2 ASP B 316 40.512 -10.716 -1.820 1.00 1.52 O ATOM 1981 OXT ASP B 316 43.238 -12.446 -1.909 1.00 0.00 O ATOM 0 H ASP B 316 45.339 -11.118 -1.498 1.00 41.21 H new ATOM 0 HA ASP B 316 43.475 -10.271 0.502 1.00 41.22 H new ATOM 0 HB2 ASP B 316 42.827 -8.661 -1.183 1.00 11.05 H new ATOM 0 HB3 ASP B 316 42.803 -9.899 -2.422 1.00 11.05 H new TER 1986 ASP B 316