USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1038 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 63 SER OG : rot -56:sc= 1.26 USER MOD Set 1.2: A 66 ASN : amide:sc= 1.42 K(o=2.7,f=-6.3!) USER MOD Set 2.1: A -2 HIS : no HD1:sc= -1.04 K(o=-2.1,f=0.3) USER MOD Set 2.2: A -4 HIS : no HE2:sc= -1.03 K(o=-2.1,f=-2.8) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 HIS : no HD1:sc=-0.00226 X(o=-0.0023,f=-0.043) USER MOD Single : A -5 HIS N :NH3+ -178:sc= 0 (180deg=-0.00613) USER MOD Single : A 11 MET CE :methyl -156:sc= -0.207 (180deg=-1.41!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 23 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD Single : A 24 MET CE :methyl -145:sc= -0.18 (180deg=-1.34) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 137:sc= 1.24 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.392 (180deg=-0.681) USER MOD Single : A 60 GLN : amide:sc= -1.88 K(o=-1.9,f=-3!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -81:sc= 0.437 USER MOD Single : A 77 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-4.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0283 K(o=-0.028,f=-0.65) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 163:sc= 0.0202 USER MOD Single : A 101 ASN : amide:sc= -2.08 K(o=-2.1,f=-5.6!) USER MOD Single : A 106 LYS NZ :NH3+ -168:sc= -0.0045 (180deg=-0.156) USER MOD Single : A 109 HIS : no HD1:sc= -0.0292 X(o=-0.029,f=-0.16) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.0419 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 76:sc= 0.416 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -20:sc= -0.926 USER MOD Single : A 136 ASN : amide:sc= -0.007 K(o=-0.007,f=-1.3) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -5 83.071 15.783 14.736 1.00 43.92 N ATOM 2 CA HIS A -5 82.397 16.766 13.843 1.00 43.51 C ATOM 3 C HIS A -5 81.945 16.067 12.565 1.00 43.19 C ATOM 4 O HIS A -5 82.766 15.698 11.726 1.00 43.25 O ATOM 5 CB HIS A -5 83.372 17.896 13.503 1.00 43.61 C ATOM 6 CG HIS A -5 83.756 18.733 14.692 1.00 43.62 C ATOM 7 ND1 HIS A -5 84.855 18.434 15.482 1.00 43.79 N ATOM 8 CD2 HIS A -5 83.198 19.863 15.238 1.00 43.54 C ATOM 9 CE1 HIS A -5 84.923 19.365 16.450 1.00 43.82 C ATOM 10 NE2 HIS A -5 83.936 20.260 16.349 1.00 43.67 N ATOM 0 H1 HIS A -5 83.349 16.252 15.622 1.00 43.92 H new ATOM 0 H2 HIS A -5 82.418 15.002 14.948 1.00 43.92 H new ATOM 0 H3 HIS A -5 83.918 15.408 14.263 1.00 43.92 H new ATOM 0 HA HIS A -5 81.526 17.183 14.349 1.00 43.51 H new ATOM 0 HB2 HIS A -5 84.273 17.468 13.063 1.00 43.61 H new ATOM 0 HB3 HIS A -5 82.922 18.538 12.746 1.00 43.61 H new ATOM 0 HD2 HIS A -5 82.320 20.367 14.862 1.00 43.54 H new ATOM 0 HE1 HIS A -5 85.684 19.387 17.216 1.00 43.82 H new ATOM 0 HE2 HIS A -5 83.761 21.061 16.955 1.00 43.67 H new ATOM 20 N HIS A -4 80.634 15.887 12.426 1.00 42.89 N ATOM 21 CA HIS A -4 80.072 15.237 11.245 1.00 42.62 C ATOM 22 C HIS A -4 79.051 16.147 10.572 1.00 42.29 C ATOM 23 O HIS A -4 78.177 16.709 11.231 1.00 42.24 O ATOM 24 CB HIS A -4 79.398 13.923 11.646 1.00 42.64 C ATOM 25 CG HIS A -4 78.852 13.151 10.476 1.00 42.78 C ATOM 26 ND1 HIS A -4 79.674 12.605 9.503 1.00 43.10 N ATOM 27 CD2 HIS A -4 77.570 12.825 10.109 1.00 42.70 C ATOM 28 CE1 HIS A -4 78.886 11.985 8.608 1.00 43.21 C ATOM 29 NE2 HIS A -4 77.594 12.087 8.929 1.00 42.98 N ATOM 0 H HIS A -4 79.942 16.181 13.115 1.00 42.89 H new ATOM 0 HA HIS A -4 80.881 15.033 10.544 1.00 42.62 H new ATOM 0 HB2 HIS A -4 80.118 13.301 12.178 1.00 42.64 H new ATOM 0 HB3 HIS A -4 78.586 14.137 12.341 1.00 42.64 H new ATOM 0 HD1 HIS A -4 80.692 12.663 9.472 1.00 43.10 H new ATOM 0 HD2 HIS A -4 76.678 13.099 10.653 1.00 42.70 H new ATOM 0 HE1 HIS A -4 79.254 11.467 7.735 1.00 43.21 H new ATOM 37 N HIS A -3 79.170 16.289 9.254 1.00 42.12 N ATOM 38 CA HIS A -3 78.258 17.137 8.492 1.00 41.86 C ATOM 39 C HIS A -3 77.650 16.359 7.329 1.00 41.64 C ATOM 40 O HIS A -3 78.282 15.460 6.775 1.00 41.69 O ATOM 41 CB HIS A -3 79.009 18.356 7.954 1.00 41.90 C ATOM 42 CG HIS A -3 79.594 19.224 9.035 1.00 41.97 C ATOM 43 ND1 HIS A -3 78.803 20.002 9.865 1.00 41.97 N ATOM 44 CD2 HIS A -3 80.889 19.445 9.435 1.00 42.09 C ATOM 45 CE1 HIS A -3 79.621 20.650 10.714 1.00 42.10 C ATOM 46 NE2 HIS A -3 80.904 20.347 10.496 1.00 42.18 N ATOM 0 H HIS A -3 79.887 15.829 8.693 1.00 42.12 H new ATOM 0 HA HIS A -3 77.457 17.465 9.154 1.00 41.86 H new ATOM 0 HB2 HIS A -3 79.810 18.019 7.296 1.00 41.90 H new ATOM 0 HB3 HIS A -3 78.329 18.954 7.347 1.00 41.90 H new ATOM 0 HD2 HIS A -3 81.763 18.989 8.994 1.00 42.09 H new ATOM 0 HE1 HIS A -3 79.282 21.333 11.479 1.00 42.10 H new ATOM 0 HE2 HIS A -3 81.719 20.700 10.998 1.00 42.18 H new ATOM 54 N HIS A -2 76.422 16.714 6.964 1.00 41.45 N ATOM 55 CA HIS A -2 75.731 16.050 5.861 1.00 41.29 C ATOM 56 C HIS A -2 75.569 17.007 4.685 1.00 41.11 C ATOM 57 O HIS A -2 75.223 18.174 4.866 1.00 41.08 O ATOM 58 CB HIS A -2 74.351 15.577 6.323 1.00 41.32 C ATOM 59 CG HIS A -2 74.403 14.578 7.447 1.00 41.48 C ATOM 60 ND1 HIS A -2 74.785 13.261 7.249 1.00 41.37 N ATOM 61 CD2 HIS A -2 74.121 14.688 8.787 1.00 41.81 C ATOM 62 CE1 HIS A -2 74.723 12.637 8.438 1.00 41.63 C ATOM 63 NE2 HIS A -2 74.324 13.459 9.410 1.00 41.90 N ATOM 0 H HIS A -2 75.885 17.456 7.414 1.00 41.45 H new ATOM 0 HA HIS A -2 76.325 15.193 5.544 1.00 41.29 H new ATOM 0 HB2 HIS A -2 73.768 16.441 6.642 1.00 41.32 H new ATOM 0 HB3 HIS A -2 73.826 15.133 5.477 1.00 41.32 H new ATOM 0 HD2 HIS A -2 73.792 15.590 9.282 1.00 41.81 H new ATOM 0 HE1 HIS A -2 74.967 11.596 8.588 1.00 41.63 H new ATOM 0 HE2 HIS A -2 74.195 13.236 10.397 1.00 41.90 H new ATOM 71 N HIS A -1 75.820 16.505 3.478 1.00 41.06 N ATOM 72 CA HIS A -1 75.701 17.321 2.271 1.00 40.96 C ATOM 73 C HIS A -1 74.624 16.760 1.350 1.00 40.84 C ATOM 74 O HIS A -1 74.584 15.558 1.083 1.00 40.95 O ATOM 75 CB HIS A -1 77.039 17.352 1.532 1.00 41.13 C ATOM 76 CG HIS A -1 78.156 17.952 2.342 1.00 41.11 C ATOM 77 ND1 HIS A -1 78.216 19.306 2.631 1.00 41.15 N ATOM 78 CD2 HIS A -1 79.262 17.393 2.935 1.00 41.14 C ATOM 79 CE1 HIS A -1 79.322 19.515 3.366 1.00 41.19 C ATOM 80 NE2 HIS A -1 79.998 18.383 3.581 1.00 41.19 N ATOM 0 H HIS A -1 76.106 15.541 3.309 1.00 41.06 H new ATOM 0 HA HIS A -1 75.422 18.333 2.564 1.00 40.96 H new ATOM 0 HB2 HIS A -1 77.312 16.336 1.247 1.00 41.13 H new ATOM 0 HB3 HIS A -1 76.923 17.921 0.610 1.00 41.13 H new ATOM 0 HD2 HIS A -1 79.521 16.345 2.905 1.00 41.14 H new ATOM 0 HE1 HIS A -1 79.627 20.482 3.738 1.00 41.19 H new ATOM 0 HE2 HIS A -1 80.866 18.269 4.105 1.00 41.19 H new ATOM 88 N HIS A 0 73.751 17.638 0.867 1.00 40.69 N ATOM 89 CA HIS A 0 72.681 17.227 -0.034 1.00 40.63 C ATOM 90 C HIS A 0 73.251 16.616 -1.312 1.00 40.54 C ATOM 91 O HIS A 0 72.723 15.632 -1.829 1.00 40.45 O ATOM 92 CB HIS A 0 71.807 18.431 -0.387 1.00 40.57 C ATOM 93 CG HIS A 0 70.581 18.068 -1.180 1.00 40.56 C ATOM 94 ND1 HIS A 0 70.557 18.108 -2.565 1.00 40.76 N ATOM 95 CD2 HIS A 0 69.327 17.658 -0.796 1.00 40.45 C ATOM 96 CE1 HIS A 0 69.327 17.734 -2.961 1.00 40.77 C ATOM 97 NE2 HIS A 0 68.538 17.447 -1.924 1.00 40.59 N ATOM 0 H HIS A 0 73.763 18.635 1.083 1.00 40.69 H new ATOM 0 HA HIS A 0 72.078 16.474 0.473 1.00 40.63 H new ATOM 0 HB2 HIS A 0 71.501 18.930 0.532 1.00 40.57 H new ATOM 0 HB3 HIS A 0 72.400 19.147 -0.956 1.00 40.57 H new ATOM 0 HD2 HIS A 0 69.003 17.520 0.225 1.00 40.45 H new ATOM 0 HE1 HIS A 0 69.016 17.673 -3.993 1.00 40.77 H new ATOM 0 HE2 HIS A 0 67.566 17.139 -1.952 1.00 40.59 H new ATOM 105 N SER A 1 74.330 17.206 -1.817 1.00 40.64 N ATOM 106 CA SER A 1 74.943 16.735 -3.053 1.00 40.64 C ATOM 107 C SER A 1 75.387 15.282 -2.920 1.00 40.59 C ATOM 108 O SER A 1 75.623 14.790 -1.817 1.00 40.68 O ATOM 109 CB SER A 1 76.149 17.607 -3.404 1.00 40.93 C ATOM 110 OG SER A 1 75.732 18.963 -3.495 1.00 40.77 O ATOM 0 H SER A 1 74.796 18.007 -1.391 1.00 40.64 H new ATOM 0 HA SER A 1 74.200 16.802 -3.848 1.00 40.64 H new ATOM 0 HB2 SER A 1 76.923 17.502 -2.644 1.00 40.93 H new ATOM 0 HB3 SER A 1 76.585 17.283 -4.349 1.00 40.93 H new ATOM 0 HG SER A 1 76.501 19.528 -3.718 1.00 40.77 H new ATOM 116 N SER A 2 75.497 14.600 -4.057 1.00 40.50 N ATOM 117 CA SER A 2 75.908 13.201 -4.067 1.00 40.51 C ATOM 118 C SER A 2 77.327 13.050 -3.526 1.00 40.39 C ATOM 119 O SER A 2 78.085 14.018 -3.464 1.00 40.28 O ATOM 120 CB SER A 2 75.843 12.650 -5.491 1.00 40.54 C ATOM 121 OG SER A 2 74.516 12.785 -5.985 1.00 40.45 O ATOM 0 H SER A 2 75.308 14.992 -4.979 1.00 40.50 H new ATOM 0 HA SER A 2 75.228 12.639 -3.426 1.00 40.51 H new ATOM 0 HB2 SER A 2 76.540 13.188 -6.134 1.00 40.54 H new ATOM 0 HB3 SER A 2 76.143 11.602 -5.502 1.00 40.54 H new ATOM 0 HG SER A 2 74.470 12.434 -6.899 1.00 40.45 H new ATOM 127 N GLY A 3 77.676 11.829 -3.136 1.00 40.47 N ATOM 128 CA GLY A 3 79.004 11.556 -2.599 1.00 40.44 C ATOM 129 C GLY A 3 80.043 11.503 -3.714 1.00 40.05 C ATOM 130 O GLY A 3 79.781 11.924 -4.840 1.00 39.87 O ATOM 0 H GLY A 3 77.061 11.016 -3.181 1.00 40.47 H new ATOM 0 HA2 GLY A 3 79.276 12.329 -1.880 1.00 40.44 H new ATOM 0 HA3 GLY A 3 78.995 10.609 -2.060 1.00 40.44 H new ATOM 134 N LEU A 4 81.223 10.982 -3.394 1.00 40.00 N ATOM 135 CA LEU A 4 82.304 10.909 -4.371 1.00 39.70 C ATOM 136 C LEU A 4 82.062 9.769 -5.354 1.00 39.79 C ATOM 137 O LEU A 4 81.515 8.728 -4.992 1.00 40.11 O ATOM 138 CB LEU A 4 83.647 10.693 -3.663 1.00 39.65 C ATOM 139 CG LEU A 4 83.885 11.792 -2.621 1.00 39.42 C ATOM 140 CD1 LEU A 4 85.199 11.518 -1.887 1.00 39.23 C ATOM 141 CD2 LEU A 4 83.974 13.156 -3.311 1.00 39.64 C ATOM 0 H LEU A 4 81.454 10.607 -2.474 1.00 40.00 H new ATOM 0 HA LEU A 4 82.331 11.851 -4.918 1.00 39.70 H new ATOM 0 HB2 LEU A 4 83.657 9.716 -3.179 1.00 39.65 H new ATOM 0 HB3 LEU A 4 84.455 10.695 -4.394 1.00 39.65 H new ATOM 0 HG LEU A 4 83.056 11.798 -1.913 1.00 39.42 H new ATOM 0 HD11 LEU A 4 85.371 12.298 -1.145 1.00 39.23 H new ATOM 0 HD12 LEU A 4 85.143 10.550 -1.389 1.00 39.23 H new ATOM 0 HD13 LEU A 4 86.021 11.511 -2.603 1.00 39.23 H new ATOM 0 HD21 LEU A 4 84.143 13.931 -2.564 1.00 39.64 H new ATOM 0 HD22 LEU A 4 84.800 13.151 -4.022 1.00 39.64 H new ATOM 0 HD23 LEU A 4 83.042 13.358 -3.839 1.00 39.64 H new ATOM 153 N VAL A 5 82.474 9.976 -6.602 1.00 39.56 N ATOM 154 CA VAL A 5 82.292 8.971 -7.647 1.00 39.68 C ATOM 155 C VAL A 5 83.629 8.654 -8.322 1.00 39.48 C ATOM 156 O VAL A 5 84.592 9.403 -8.150 1.00 39.18 O ATOM 157 CB VAL A 5 81.293 9.482 -8.688 1.00 39.68 C ATOM 158 CG1 VAL A 5 79.938 9.719 -8.020 1.00 40.04 C ATOM 159 CG2 VAL A 5 81.797 10.798 -9.288 1.00 39.11 C ATOM 0 H VAL A 5 82.936 10.830 -6.915 1.00 39.56 H new ATOM 0 HA VAL A 5 81.905 8.059 -7.192 1.00 39.68 H new ATOM 0 HB VAL A 5 81.189 8.740 -9.479 1.00 39.68 H new ATOM 0 HG11 VAL A 5 79.226 10.083 -8.761 1.00 40.04 H new ATOM 0 HG12 VAL A 5 79.573 8.784 -7.595 1.00 40.04 H new ATOM 0 HG13 VAL A 5 80.048 10.459 -7.228 1.00 40.04 H new ATOM 0 HG21 VAL A 5 81.082 11.158 -10.028 1.00 39.11 H new ATOM 0 HG22 VAL A 5 81.905 11.541 -8.497 1.00 39.11 H new ATOM 0 HG23 VAL A 5 82.763 10.634 -9.766 1.00 39.11 H new ATOM 169 N PRO A 6 83.722 7.579 -9.078 1.00 39.69 N ATOM 170 CA PRO A 6 85.007 7.211 -9.756 1.00 39.58 C ATOM 171 C PRO A 6 85.506 8.288 -10.722 1.00 39.21 C ATOM 172 O PRO A 6 86.690 8.324 -11.055 1.00 39.16 O ATOM 173 CB PRO A 6 84.690 5.911 -10.506 1.00 40.01 C ATOM 174 CG PRO A 6 83.454 5.371 -9.872 1.00 40.36 C ATOM 175 CD PRO A 6 82.671 6.585 -9.378 1.00 40.12 C ATOM 0 HA PRO A 6 85.811 7.100 -9.028 1.00 39.58 H new ATOM 0 HB2 PRO A 6 84.535 6.100 -11.568 1.00 40.01 H new ATOM 0 HB3 PRO A 6 85.514 5.202 -10.425 1.00 40.01 H new ATOM 0 HG2 PRO A 6 82.869 4.794 -10.588 1.00 40.36 H new ATOM 0 HG3 PRO A 6 83.699 4.702 -9.047 1.00 40.36 H new ATOM 0 HD2 PRO A 6 81.978 6.951 -10.136 1.00 40.12 H new ATOM 0 HD3 PRO A 6 82.080 6.348 -8.494 1.00 40.12 H new ATOM 183 N ARG A 7 84.608 9.162 -11.170 1.00 39.03 N ATOM 184 CA ARG A 7 84.988 10.230 -12.091 1.00 38.73 C ATOM 185 C ARG A 7 86.130 11.072 -11.520 1.00 38.31 C ATOM 186 O ARG A 7 87.004 11.524 -12.259 1.00 38.31 O ATOM 187 CB ARG A 7 83.783 11.132 -12.366 1.00 38.83 C ATOM 188 CG ARG A 7 82.682 10.322 -13.055 1.00 38.99 C ATOM 189 CD ARG A 7 81.486 11.230 -13.346 1.00 38.94 C ATOM 190 NE ARG A 7 81.828 12.201 -14.390 1.00 38.92 N ATOM 191 CZ ARG A 7 81.159 13.348 -14.582 1.00 38.89 C ATOM 192 NH1 ARG A 7 80.135 13.694 -13.837 1.00 38.88 N ATOM 193 NH2 ARG A 7 81.537 14.147 -15.541 1.00 38.94 N ATOM 0 H ARG A 7 83.621 9.153 -10.913 1.00 39.03 H new ATOM 0 HA ARG A 7 85.327 9.770 -13.019 1.00 38.73 H new ATOM 0 HB2 ARG A 7 83.409 11.552 -11.432 1.00 38.83 H new ATOM 0 HB3 ARG A 7 84.080 11.971 -12.996 1.00 38.83 H new ATOM 0 HG2 ARG A 7 83.059 9.891 -13.983 1.00 38.99 H new ATOM 0 HG3 ARG A 7 82.375 9.491 -12.419 1.00 38.99 H new ATOM 0 HD2 ARG A 7 80.633 10.630 -13.663 1.00 38.94 H new ATOM 0 HD3 ARG A 7 81.188 11.753 -12.437 1.00 38.94 H new ATOM 0 HE ARG A 7 82.616 11.993 -15.003 1.00 38.92 H new ATOM 0 HH11 ARG A 7 79.824 13.083 -13.082 1.00 38.88 H new ATOM 0 HH12 ARG A 7 79.651 14.574 -14.013 1.00 38.88 H new ATOM 0 HH21 ARG A 7 82.330 13.896 -16.131 1.00 38.94 H new ATOM 0 HH22 ARG A 7 81.040 15.023 -15.701 1.00 38.94 H new ATOM 207 N GLY A 8 86.119 11.279 -10.206 1.00 38.02 N ATOM 208 CA GLY A 8 87.157 12.071 -9.558 1.00 37.67 C ATOM 209 C GLY A 8 86.749 13.537 -9.471 1.00 37.16 C ATOM 210 O GLY A 8 85.682 13.923 -9.948 1.00 37.15 O ATOM 0 H GLY A 8 85.408 10.912 -9.574 1.00 38.02 H new ATOM 0 HA2 GLY A 8 87.345 11.682 -8.557 1.00 37.67 H new ATOM 0 HA3 GLY A 8 88.089 11.981 -10.115 1.00 37.67 H new ATOM 214 N SER A 9 87.604 14.351 -8.861 1.00 36.80 N ATOM 215 CA SER A 9 87.313 15.772 -8.708 1.00 36.36 C ATOM 216 C SER A 9 87.105 16.432 -10.068 1.00 35.77 C ATOM 217 O SER A 9 86.221 17.272 -10.231 1.00 35.68 O ATOM 218 CB SER A 9 88.464 16.464 -7.977 1.00 36.44 C ATOM 219 OG SER A 9 88.093 17.804 -7.685 1.00 36.03 O ATOM 0 H SER A 9 88.497 14.055 -8.467 1.00 36.80 H new ATOM 0 HA SER A 9 86.397 15.872 -8.126 1.00 36.36 H new ATOM 0 HB2 SER A 9 88.699 15.930 -7.056 1.00 36.44 H new ATOM 0 HB3 SER A 9 89.363 16.449 -8.593 1.00 36.44 H new ATOM 0 HG SER A 9 88.827 18.252 -7.215 1.00 36.03 H new ATOM 225 N GLY A 10 87.925 16.047 -11.041 1.00 35.44 N ATOM 226 CA GLY A 10 87.818 16.609 -12.383 1.00 34.92 C ATOM 227 C GLY A 10 88.451 17.996 -12.441 1.00 34.19 C ATOM 228 O GLY A 10 89.067 18.448 -11.476 1.00 34.15 O ATOM 0 H GLY A 10 88.665 15.354 -10.927 1.00 35.44 H new ATOM 0 HA2 GLY A 10 88.309 15.950 -13.099 1.00 34.92 H new ATOM 0 HA3 GLY A 10 86.769 16.670 -12.674 1.00 34.92 H new ATOM 232 N MET A 11 88.296 18.667 -13.578 1.00 33.66 N ATOM 233 CA MET A 11 88.835 20.013 -13.744 1.00 32.99 C ATOM 234 C MET A 11 87.816 20.917 -14.431 1.00 32.74 C ATOM 235 O MET A 11 86.961 20.447 -15.182 1.00 32.94 O ATOM 236 CB MET A 11 90.120 19.966 -14.573 1.00 32.59 C ATOM 237 CG MET A 11 91.186 19.172 -13.815 1.00 32.60 C ATOM 238 SD MET A 11 92.774 19.305 -14.674 1.00 32.15 S ATOM 239 CE MET A 11 92.259 18.575 -16.248 1.00 32.44 C ATOM 0 H MET A 11 87.804 18.303 -14.394 1.00 33.66 H new ATOM 0 HA MET A 11 89.057 20.418 -12.757 1.00 32.99 H new ATOM 0 HB2 MET A 11 89.925 19.503 -15.540 1.00 32.59 H new ATOM 0 HB3 MET A 11 90.476 20.977 -14.770 1.00 32.59 H new ATOM 0 HG2 MET A 11 91.280 19.551 -12.797 1.00 32.60 H new ATOM 0 HG3 MET A 11 90.889 18.126 -13.740 1.00 32.60 H new ATOM 0 HE1 MET A 11 93.130 18.170 -16.764 1.00 32.44 H new ATOM 0 HE2 MET A 11 91.543 17.774 -16.061 1.00 32.44 H new ATOM 0 HE3 MET A 11 91.793 19.340 -16.869 1.00 32.44 H new ATOM 249 N LYS A 12 87.917 22.216 -14.171 1.00 32.37 N ATOM 250 CA LYS A 12 87.016 23.184 -14.788 1.00 32.18 C ATOM 251 C LYS A 12 87.699 23.858 -15.973 1.00 31.54 C ATOM 252 O LYS A 12 88.921 24.006 -15.994 1.00 31.21 O ATOM 253 CB LYS A 12 86.596 24.247 -13.768 1.00 32.34 C ATOM 254 CG LYS A 12 85.966 23.584 -12.539 1.00 32.54 C ATOM 255 CD LYS A 12 84.677 22.862 -12.939 1.00 32.77 C ATOM 256 CE LYS A 12 83.959 22.367 -11.681 1.00 32.62 C ATOM 257 NZ LYS A 12 84.532 21.055 -11.267 1.00 32.78 N ATOM 0 H LYS A 12 88.609 22.622 -13.541 1.00 32.37 H new ATOM 0 HA LYS A 12 86.129 22.654 -15.137 1.00 32.18 H new ATOM 0 HB2 LYS A 12 87.463 24.836 -13.468 1.00 32.34 H new ATOM 0 HB3 LYS A 12 85.885 24.936 -14.223 1.00 32.34 H new ATOM 0 HG2 LYS A 12 86.667 22.876 -12.097 1.00 32.54 H new ATOM 0 HG3 LYS A 12 85.751 24.336 -11.780 1.00 32.54 H new ATOM 0 HD2 LYS A 12 84.029 23.536 -13.499 1.00 32.77 H new ATOM 0 HD3 LYS A 12 84.906 22.022 -13.594 1.00 32.77 H new ATOM 0 HE2 LYS A 12 84.069 23.094 -10.877 1.00 32.62 H new ATOM 0 HE3 LYS A 12 82.891 22.265 -11.875 1.00 32.62 H new ATOM 0 HZ1 LYS A 12 84.045 20.718 -10.412 1.00 32.78 H new ATOM 0 HZ2 LYS A 12 84.405 20.364 -12.033 1.00 32.78 H new ATOM 0 HZ3 LYS A 12 85.546 21.167 -11.066 1.00 32.78 H new ATOM 271 N GLU A 13 86.906 24.264 -16.959 1.00 31.45 N ATOM 272 CA GLU A 13 87.454 24.907 -18.149 1.00 30.92 C ATOM 273 C GLU A 13 88.279 26.135 -17.775 1.00 30.65 C ATOM 274 O GLU A 13 89.321 26.399 -18.376 1.00 30.91 O ATOM 275 CB GLU A 13 86.319 25.323 -19.087 1.00 30.99 C ATOM 276 CG GLU A 13 86.905 25.829 -20.410 1.00 31.06 C ATOM 277 CD GLU A 13 85.819 26.348 -21.358 1.00 31.11 C ATOM 278 OE1 GLU A 13 84.652 26.346 -20.991 1.00 31.27 O ATOM 279 OE2 GLU A 13 86.175 26.747 -22.454 1.00 31.06 O ATOM 0 H GLU A 13 85.891 24.161 -16.959 1.00 31.45 H new ATOM 0 HA GLU A 13 88.103 24.191 -18.653 1.00 30.92 H new ATOM 0 HB2 GLU A 13 85.657 24.477 -19.271 1.00 30.99 H new ATOM 0 HB3 GLU A 13 85.717 26.104 -18.622 1.00 30.99 H new ATOM 0 HG2 GLU A 13 87.621 26.626 -20.208 1.00 31.06 H new ATOM 0 HG3 GLU A 13 87.454 25.022 -20.895 1.00 31.06 H new ATOM 286 N THR A 14 87.811 26.885 -16.780 1.00 30.22 N ATOM 287 CA THR A 14 88.523 28.075 -16.321 1.00 30.00 C ATOM 288 C THR A 14 88.702 28.040 -14.806 1.00 29.53 C ATOM 289 O THR A 14 87.779 27.689 -14.072 1.00 29.36 O ATOM 290 CB THR A 14 87.741 29.331 -16.713 1.00 30.04 C ATOM 291 OG1 THR A 14 87.482 29.308 -18.110 1.00 30.27 O ATOM 292 CG2 THR A 14 88.560 30.576 -16.366 1.00 30.27 C ATOM 0 H THR A 14 86.945 26.691 -16.278 1.00 30.22 H new ATOM 0 HA THR A 14 89.506 28.094 -16.792 1.00 30.00 H new ATOM 0 HB THR A 14 86.798 29.356 -16.167 1.00 30.04 H new ATOM 0 HG1 THR A 14 86.980 30.111 -18.363 1.00 30.27 H new ATOM 0 HG21 THR A 14 88.001 31.469 -16.646 1.00 30.27 H new ATOM 0 HG22 THR A 14 88.759 30.594 -15.294 1.00 30.27 H new ATOM 0 HG23 THR A 14 89.504 30.554 -16.910 1.00 30.27 H new ATOM 300 N ALA A 15 89.895 28.404 -14.347 1.00 29.40 N ATOM 301 CA ALA A 15 90.169 28.447 -12.915 1.00 29.03 C ATOM 302 C ALA A 15 89.412 29.600 -12.265 1.00 28.81 C ATOM 303 O ALA A 15 89.247 30.662 -12.868 1.00 29.01 O ATOM 304 CB ALA A 15 91.670 28.618 -12.674 1.00 29.03 C ATOM 0 H ALA A 15 90.681 28.671 -14.940 1.00 29.40 H new ATOM 0 HA ALA A 15 89.837 27.509 -12.470 1.00 29.03 H new ATOM 0 HB1 ALA A 15 91.865 28.649 -11.602 1.00 29.03 H new ATOM 0 HB2 ALA A 15 92.207 27.779 -13.117 1.00 29.03 H new ATOM 0 HB3 ALA A 15 92.008 29.548 -13.131 1.00 29.03 H new ATOM 310 N ALA A 16 88.952 29.390 -11.036 1.00 28.47 N ATOM 311 CA ALA A 16 88.210 30.424 -10.325 1.00 28.31 C ATOM 312 C ALA A 16 89.139 31.562 -9.916 1.00 28.05 C ATOM 313 O ALA A 16 90.190 31.335 -9.317 1.00 27.79 O ATOM 314 CB ALA A 16 87.546 29.831 -9.081 1.00 27.98 C ATOM 0 H ALA A 16 89.078 28.522 -10.516 1.00 28.47 H new ATOM 0 HA ALA A 16 87.442 30.817 -10.991 1.00 28.31 H new ATOM 0 HB1 ALA A 16 86.994 30.611 -8.556 1.00 27.98 H new ATOM 0 HB2 ALA A 16 86.860 29.038 -9.378 1.00 27.98 H new ATOM 0 HB3 ALA A 16 88.310 29.421 -8.421 1.00 27.98 H new ATOM 320 N ALA A 17 88.742 32.788 -10.243 1.00 28.18 N ATOM 321 CA ALA A 17 89.546 33.959 -9.907 1.00 28.02 C ATOM 322 C ALA A 17 89.633 34.161 -8.395 1.00 27.44 C ATOM 323 O ALA A 17 90.665 34.591 -7.879 1.00 27.29 O ATOM 324 CB ALA A 17 88.941 35.207 -10.552 1.00 28.48 C ATOM 0 H ALA A 17 87.874 32.996 -10.737 1.00 28.18 H new ATOM 0 HA ALA A 17 90.553 33.794 -10.289 1.00 28.02 H new ATOM 0 HB1 ALA A 17 89.546 36.078 -10.297 1.00 28.48 H new ATOM 0 HB2 ALA A 17 88.921 35.083 -11.635 1.00 28.48 H new ATOM 0 HB3 ALA A 17 87.925 35.351 -10.184 1.00 28.48 H new ATOM 330 N LYS A 18 88.549 33.851 -7.686 1.00 27.20 N ATOM 331 CA LYS A 18 88.501 34.043 -6.239 1.00 26.70 C ATOM 332 C LYS A 18 88.112 32.746 -5.536 1.00 26.66 C ATOM 333 O LYS A 18 87.214 32.031 -5.982 1.00 27.01 O ATOM 334 CB LYS A 18 87.485 35.133 -5.896 1.00 26.60 C ATOM 335 CG LYS A 18 87.548 35.443 -4.399 1.00 26.64 C ATOM 336 CD LYS A 18 86.473 36.473 -4.046 1.00 26.26 C ATOM 337 CE LYS A 18 86.635 36.903 -2.585 1.00 26.15 C ATOM 338 NZ LYS A 18 85.931 35.930 -1.702 1.00 26.03 N ATOM 0 H LYS A 18 87.695 33.467 -8.089 1.00 27.20 H new ATOM 0 HA LYS A 18 89.492 34.343 -5.897 1.00 26.70 H new ATOM 0 HB2 LYS A 18 87.695 36.034 -6.473 1.00 26.60 H new ATOM 0 HB3 LYS A 18 86.481 34.807 -6.168 1.00 26.60 H new ATOM 0 HG2 LYS A 18 87.397 34.531 -3.821 1.00 26.64 H new ATOM 0 HG3 LYS A 18 88.534 35.826 -4.137 1.00 26.64 H new ATOM 0 HD2 LYS A 18 86.556 37.339 -4.702 1.00 26.26 H new ATOM 0 HD3 LYS A 18 85.482 36.048 -4.203 1.00 26.26 H new ATOM 0 HE2 LYS A 18 87.692 36.950 -2.323 1.00 26.15 H new ATOM 0 HE3 LYS A 18 86.226 37.903 -2.441 1.00 26.15 H new ATOM 0 HZ1 LYS A 18 86.040 36.220 -0.709 1.00 26.03 H new ATOM 0 HZ2 LYS A 18 84.921 35.907 -1.947 1.00 26.03 H new ATOM 0 HZ3 LYS A 18 86.341 34.983 -1.833 1.00 26.03 H new ATOM 352 N PHE A 19 88.796 32.450 -4.434 1.00 26.29 N ATOM 353 CA PHE A 19 88.518 31.239 -3.667 1.00 26.29 C ATOM 354 C PHE A 19 88.442 31.560 -2.177 1.00 25.99 C ATOM 355 O PHE A 19 88.907 32.610 -1.734 1.00 25.69 O ATOM 356 CB PHE A 19 89.616 30.203 -3.915 1.00 26.27 C ATOM 357 CG PHE A 19 90.981 30.645 -3.441 1.00 26.15 C ATOM 358 CD1 PHE A 19 91.786 31.438 -4.268 1.00 26.14 C ATOM 359 CD2 PHE A 19 91.441 30.264 -2.175 1.00 26.17 C ATOM 360 CE1 PHE A 19 93.050 31.849 -3.829 1.00 26.14 C ATOM 361 CE2 PHE A 19 92.705 30.673 -1.736 1.00 26.17 C ATOM 362 CZ PHE A 19 93.510 31.467 -2.563 1.00 26.15 C ATOM 0 H PHE A 19 89.544 33.030 -4.053 1.00 26.29 H new ATOM 0 HA PHE A 19 87.559 30.834 -3.990 1.00 26.29 H new ATOM 0 HB2 PHE A 19 89.348 29.274 -3.411 1.00 26.27 H new ATOM 0 HB3 PHE A 19 89.664 29.984 -4.982 1.00 26.27 H new ATOM 0 HD1 PHE A 19 91.432 31.733 -5.245 1.00 26.14 H new ATOM 0 HD2 PHE A 19 90.820 29.654 -1.536 1.00 26.17 H new ATOM 0 HE1 PHE A 19 93.671 32.461 -4.467 1.00 26.14 H new ATOM 0 HE2 PHE A 19 93.060 30.377 -0.760 1.00 26.17 H new ATOM 0 HZ PHE A 19 94.485 31.784 -2.224 1.00 26.15 H new ATOM 372 N GLU A 20 87.854 30.648 -1.409 1.00 26.14 N ATOM 373 CA GLU A 20 87.723 30.847 0.031 1.00 25.96 C ATOM 374 C GLU A 20 88.849 30.141 0.781 1.00 25.69 C ATOM 375 O GLU A 20 89.232 29.024 0.434 1.00 25.78 O ATOM 376 CB GLU A 20 86.359 30.334 0.515 1.00 26.36 C ATOM 377 CG GLU A 20 86.235 28.822 0.276 1.00 26.70 C ATOM 378 CD GLU A 20 84.841 28.300 0.645 1.00 26.74 C ATOM 379 OE1 GLU A 20 84.045 29.051 1.191 1.00 26.56 O ATOM 380 OE2 GLU A 20 84.587 27.139 0.371 1.00 27.04 O ATOM 0 H GLU A 20 87.464 29.771 -1.755 1.00 26.14 H new ATOM 0 HA GLU A 20 87.792 31.915 0.237 1.00 25.96 H new ATOM 0 HB2 GLU A 20 86.238 30.551 1.576 1.00 26.36 H new ATOM 0 HB3 GLU A 20 85.560 30.858 -0.010 1.00 26.36 H new ATOM 0 HG2 GLU A 20 86.440 28.601 -0.772 1.00 26.70 H new ATOM 0 HG3 GLU A 20 86.987 28.298 0.865 1.00 26.70 H new ATOM 387 N ARG A 21 89.377 30.801 1.806 1.00 25.44 N ATOM 388 CA ARG A 21 90.462 30.227 2.594 1.00 25.23 C ATOM 389 C ARG A 21 89.955 29.057 3.430 1.00 25.14 C ATOM 390 O ARG A 21 88.840 29.090 3.949 1.00 25.23 O ATOM 391 CB ARG A 21 91.057 31.291 3.522 1.00 25.13 C ATOM 392 CG ARG A 21 91.533 32.498 2.709 1.00 25.31 C ATOM 393 CD ARG A 21 92.719 32.103 1.827 1.00 25.53 C ATOM 394 NE ARG A 21 93.266 33.287 1.159 1.00 25.57 N ATOM 395 CZ ARG A 21 94.010 34.212 1.785 1.00 25.70 C ATOM 396 NH1 ARG A 21 94.313 34.123 3.058 1.00 25.80 N ATOM 397 NH2 ARG A 21 94.450 35.234 1.103 1.00 25.81 N ATOM 0 H ARG A 21 89.074 31.727 2.109 1.00 25.44 H new ATOM 0 HA ARG A 21 91.230 29.869 1.909 1.00 25.23 H new ATOM 0 HB2 ARG A 21 90.310 31.606 4.251 1.00 25.13 H new ATOM 0 HB3 ARG A 21 91.891 30.869 4.082 1.00 25.13 H new ATOM 0 HG2 ARG A 21 90.718 32.873 2.090 1.00 25.31 H new ATOM 0 HG3 ARG A 21 91.822 33.307 3.380 1.00 25.31 H new ATOM 0 HD2 ARG A 21 93.491 31.629 2.433 1.00 25.53 H new ATOM 0 HD3 ARG A 21 92.402 31.371 1.084 1.00 25.53 H new ATOM 0 HE ARG A 21 93.071 33.415 0.166 1.00 25.57 H new ATOM 0 HH11 ARG A 21 93.981 33.330 3.607 1.00 25.80 H new ATOM 0 HH12 ARG A 21 94.881 34.846 3.499 1.00 25.80 H new ATOM 0 HH21 ARG A 21 94.227 35.320 0.111 1.00 25.81 H new ATOM 0 HH22 ARG A 21 95.017 35.947 1.562 1.00 25.81 H new ATOM 411 N GLN A 22 90.783 28.024 3.557 1.00 25.05 N ATOM 412 CA GLN A 22 90.432 26.857 4.362 1.00 25.04 C ATOM 413 C GLN A 22 91.479 26.629 5.447 1.00 24.84 C ATOM 414 O GLN A 22 92.677 26.793 5.210 1.00 24.77 O ATOM 415 CB GLN A 22 90.342 25.617 3.470 1.00 25.22 C ATOM 416 CG GLN A 22 89.206 25.796 2.460 1.00 25.21 C ATOM 417 CD GLN A 22 89.147 24.609 1.501 1.00 25.58 C ATOM 418 OE1 GLN A 22 90.111 23.853 1.375 1.00 25.80 O ATOM 419 NE2 GLN A 22 88.060 24.400 0.809 1.00 25.77 N ATOM 0 H GLN A 22 91.700 27.971 3.114 1.00 25.05 H new ATOM 0 HA GLN A 22 89.465 27.036 4.833 1.00 25.04 H new ATOM 0 HB2 GLN A 22 91.286 25.462 2.948 1.00 25.22 H new ATOM 0 HB3 GLN A 22 90.165 24.730 4.079 1.00 25.22 H new ATOM 0 HG2 GLN A 22 88.256 25.893 2.986 1.00 25.21 H new ATOM 0 HG3 GLN A 22 89.354 26.718 1.898 1.00 25.21 H new ATOM 0 HE21 GLN A 22 87.261 25.026 0.913 1.00 25.77 H new ATOM 0 HE22 GLN A 22 88.010 23.611 0.165 1.00 25.77 H new ATOM 428 N HIS A 23 91.024 26.252 6.637 1.00 24.84 N ATOM 429 CA HIS A 23 91.932 26.006 7.753 1.00 24.75 C ATOM 430 C HIS A 23 91.534 24.736 8.500 1.00 24.77 C ATOM 431 O HIS A 23 90.371 24.336 8.489 1.00 24.94 O ATOM 432 CB HIS A 23 91.908 27.193 8.717 1.00 24.85 C ATOM 433 CG HIS A 23 92.379 28.478 8.092 1.00 24.94 C ATOM 434 ND1 HIS A 23 93.707 28.695 7.760 1.00 25.13 N ATOM 435 CD2 HIS A 23 91.711 29.623 7.731 1.00 24.96 C ATOM 436 CE1 HIS A 23 93.797 29.925 7.227 1.00 25.27 C ATOM 437 NE2 HIS A 23 92.610 30.536 7.185 1.00 25.18 N ATOM 0 H HIS A 23 90.037 26.110 6.854 1.00 24.84 H new ATOM 0 HA HIS A 23 92.939 25.880 7.355 1.00 24.75 H new ATOM 0 HB2 HIS A 23 90.893 27.329 9.089 1.00 24.85 H new ATOM 0 HB3 HIS A 23 92.535 26.965 9.579 1.00 24.85 H new ATOM 0 HD2 HIS A 23 90.651 29.790 7.852 1.00 24.96 H new ATOM 0 HE1 HIS A 23 94.718 30.366 6.875 1.00 25.27 H new ATOM 0 HE2 HIS A 23 92.406 31.470 6.830 1.00 25.18 H new ATOM 445 N MET A 24 92.511 24.108 9.148 1.00 24.69 N ATOM 446 CA MET A 24 92.258 22.902 9.930 1.00 24.79 C ATOM 447 C MET A 24 92.721 23.108 11.369 1.00 24.86 C ATOM 448 O MET A 24 93.712 23.795 11.619 1.00 24.82 O ATOM 449 CB MET A 24 93.010 21.715 9.320 1.00 24.79 C ATOM 450 CG MET A 24 92.583 21.501 7.863 1.00 24.85 C ATOM 451 SD MET A 24 90.796 21.216 7.759 1.00 24.89 S ATOM 452 CE MET A 24 90.748 19.683 8.721 1.00 25.54 C ATOM 0 H MET A 24 93.484 24.414 9.147 1.00 24.69 H new ATOM 0 HA MET A 24 91.188 22.696 9.920 1.00 24.79 H new ATOM 0 HB2 MET A 24 94.084 21.894 9.368 1.00 24.79 H new ATOM 0 HB3 MET A 24 92.811 20.814 9.900 1.00 24.79 H new ATOM 0 HG2 MET A 24 92.853 22.373 7.267 1.00 24.85 H new ATOM 0 HG3 MET A 24 93.118 20.649 7.443 1.00 24.85 H new ATOM 0 HE1 MET A 24 89.983 19.022 8.314 1.00 25.54 H new ATOM 0 HE2 MET A 24 91.719 19.190 8.669 1.00 25.54 H new ATOM 0 HE3 MET A 24 90.513 19.913 9.760 1.00 25.54 H new ATOM 462 N ASP A 25 91.998 22.512 12.312 1.00 25.05 N ATOM 463 CA ASP A 25 92.336 22.661 13.723 1.00 25.23 C ATOM 464 C ASP A 25 93.193 21.494 14.202 1.00 25.15 C ATOM 465 O ASP A 25 92.735 20.353 14.250 1.00 25.06 O ATOM 466 CB ASP A 25 91.057 22.736 14.559 1.00 25.63 C ATOM 467 CG ASP A 25 90.236 21.464 14.372 1.00 25.71 C ATOM 468 OD1 ASP A 25 89.500 21.394 13.402 1.00 25.71 O ATOM 469 OD2 ASP A 25 90.354 20.579 15.204 1.00 25.86 O ATOM 0 H ASP A 25 91.183 21.927 12.128 1.00 25.05 H new ATOM 0 HA ASP A 25 92.906 23.583 13.843 1.00 25.23 H new ATOM 0 HB2 ASP A 25 91.308 22.865 15.612 1.00 25.63 H new ATOM 0 HB3 ASP A 25 90.469 23.605 14.262 1.00 25.63 H new ATOM 474 N SER A 26 94.440 21.791 14.557 1.00 25.28 N ATOM 475 CA SER A 26 95.349 20.774 15.077 1.00 25.31 C ATOM 476 C SER A 26 95.907 21.213 16.435 1.00 25.48 C ATOM 477 O SER A 26 96.840 22.018 16.471 1.00 25.69 O ATOM 478 CB SER A 26 96.513 20.589 14.101 1.00 25.54 C ATOM 479 OG SER A 26 96.062 19.856 12.970 1.00 25.78 O ATOM 0 H SER A 26 94.844 22.726 14.494 1.00 25.28 H new ATOM 0 HA SER A 26 94.804 19.838 15.194 1.00 25.31 H new ATOM 0 HB2 SER A 26 96.900 21.559 13.790 1.00 25.54 H new ATOM 0 HB3 SER A 26 97.332 20.061 14.589 1.00 25.54 H new ATOM 0 HG SER A 26 96.804 19.736 12.341 1.00 25.78 H new ATOM 485 N PRO A 27 95.382 20.726 17.541 1.00 25.50 N ATOM 486 CA PRO A 27 95.911 21.097 18.885 1.00 25.77 C ATOM 487 C PRO A 27 97.041 20.179 19.339 1.00 26.13 C ATOM 488 O PRO A 27 96.879 18.960 19.399 1.00 26.29 O ATOM 489 CB PRO A 27 94.691 20.951 19.793 1.00 25.74 C ATOM 490 CG PRO A 27 93.872 19.867 19.176 1.00 25.61 C ATOM 491 CD PRO A 27 94.219 19.828 17.685 1.00 25.40 C ATOM 0 HA PRO A 27 96.346 22.096 18.895 1.00 25.77 H new ATOM 0 HB2 PRO A 27 94.986 20.692 20.810 1.00 25.74 H new ATOM 0 HB3 PRO A 27 94.130 21.884 19.852 1.00 25.74 H new ATOM 0 HG2 PRO A 27 94.087 18.907 19.646 1.00 25.61 H new ATOM 0 HG3 PRO A 27 92.809 20.060 19.318 1.00 25.61 H new ATOM 0 HD2 PRO A 27 94.460 18.815 17.362 1.00 25.40 H new ATOM 0 HD3 PRO A 27 93.381 20.166 17.076 1.00 25.40 H new ATOM 499 N ASP A 28 98.187 20.774 19.654 1.00 26.34 N ATOM 500 CA ASP A 28 99.334 20.004 20.127 1.00 26.77 C ATOM 501 C ASP A 28 99.015 19.268 21.430 1.00 26.67 C ATOM 502 O ASP A 28 99.502 18.161 21.659 1.00 26.36 O ATOM 503 CB ASP A 28 100.536 20.931 20.333 1.00 27.16 C ATOM 504 CG ASP A 28 100.252 21.956 21.431 1.00 27.14 C ATOM 505 OD1 ASP A 28 99.097 22.309 21.609 1.00 27.04 O ATOM 506 OD2 ASP A 28 101.197 22.373 22.080 1.00 27.32 O ATOM 0 H ASP A 28 98.347 21.779 19.591 1.00 26.34 H new ATOM 0 HA ASP A 28 99.574 19.258 19.369 1.00 26.77 H new ATOM 0 HB2 ASP A 28 101.414 20.342 20.598 1.00 27.16 H new ATOM 0 HB3 ASP A 28 100.768 21.446 19.400 1.00 27.16 H new ATOM 511 N LEU A 29 98.198 19.886 22.280 1.00 27.03 N ATOM 512 CA LEU A 29 97.849 19.286 23.563 1.00 27.07 C ATOM 513 C LEU A 29 96.589 18.436 23.434 1.00 27.41 C ATOM 514 O LEU A 29 95.566 18.898 22.929 1.00 27.80 O ATOM 515 CB LEU A 29 97.625 20.390 24.601 1.00 27.39 C ATOM 516 CG LEU A 29 97.530 19.778 26.005 1.00 27.08 C ATOM 517 CD1 LEU A 29 97.977 20.807 27.047 1.00 27.25 C ATOM 518 CD2 LEU A 29 96.083 19.367 26.295 1.00 26.87 C ATOM 0 H LEU A 29 97.769 20.795 22.105 1.00 27.03 H new ATOM 0 HA LEU A 29 98.669 18.643 23.883 1.00 27.07 H new ATOM 0 HB2 LEU A 29 98.444 21.108 24.563 1.00 27.39 H new ATOM 0 HB3 LEU A 29 96.711 20.937 24.371 1.00 27.39 H new ATOM 0 HG LEU A 29 98.175 18.901 26.054 1.00 27.08 H new ATOM 0 HD11 LEU A 29 97.908 20.370 28.043 1.00 27.25 H new ATOM 0 HD12 LEU A 29 99.008 21.100 26.850 1.00 27.25 H new ATOM 0 HD13 LEU A 29 97.333 21.685 26.991 1.00 27.25 H new ATOM 0 HD21 LEU A 29 96.021 18.933 27.293 1.00 26.87 H new ATOM 0 HD22 LEU A 29 95.438 20.244 26.240 1.00 26.87 H new ATOM 0 HD23 LEU A 29 95.759 18.631 25.559 1.00 26.87 H new ATOM 530 N GLY A 30 96.674 17.192 23.892 1.00 27.36 N ATOM 531 CA GLY A 30 95.528 16.291 23.854 1.00 27.76 C ATOM 532 C GLY A 30 95.717 15.133 24.828 1.00 28.28 C ATOM 533 O GLY A 30 96.819 14.903 25.327 1.00 28.45 O ATOM 0 H GLY A 30 97.520 16.786 24.292 1.00 27.36 H new ATOM 0 HA2 GLY A 30 94.620 16.839 24.106 1.00 27.76 H new ATOM 0 HA3 GLY A 30 95.397 15.904 22.843 1.00 27.76 H new ATOM 537 N THR A 31 94.636 14.404 25.096 1.00 28.63 N ATOM 538 CA THR A 31 94.691 13.268 26.014 1.00 29.21 C ATOM 539 C THR A 31 94.065 12.032 25.377 1.00 29.06 C ATOM 540 O THR A 31 93.320 12.132 24.401 1.00 28.57 O ATOM 541 CB THR A 31 93.949 13.602 27.311 1.00 29.67 C ATOM 542 OG1 THR A 31 92.574 13.822 27.026 1.00 29.74 O ATOM 543 CG2 THR A 31 94.551 14.858 27.947 1.00 29.91 C ATOM 0 H THR A 31 93.715 14.578 24.693 1.00 28.63 H new ATOM 0 HA THR A 31 95.738 13.061 26.237 1.00 29.21 H new ATOM 0 HB THR A 31 94.048 12.769 28.007 1.00 29.67 H new ATOM 0 HG1 THR A 31 92.024 13.380 27.706 1.00 29.74 H new ATOM 0 HG21 THR A 31 94.018 15.090 28.869 1.00 29.91 H new ATOM 0 HG22 THR A 31 95.604 14.684 28.170 1.00 29.91 H new ATOM 0 HG23 THR A 31 94.460 15.695 27.255 1.00 29.91 H new ATOM 551 N ASP A 32 94.375 10.866 25.937 1.00 29.56 N ATOM 552 CA ASP A 32 93.815 9.607 25.446 1.00 29.57 C ATOM 553 C ASP A 32 93.278 8.756 26.598 1.00 29.57 C ATOM 554 O ASP A 32 92.270 8.067 26.450 1.00 29.86 O ATOM 555 CB ASP A 32 94.888 8.823 24.689 1.00 30.14 C ATOM 556 CG ASP A 32 96.061 8.512 25.613 1.00 30.51 C ATOM 557 OD1 ASP A 32 96.950 9.342 25.709 1.00 30.91 O ATOM 558 OD2 ASP A 32 96.053 7.448 26.210 1.00 30.46 O ATOM 0 H ASP A 32 95.009 10.765 26.729 1.00 29.56 H new ATOM 0 HA ASP A 32 92.988 9.842 24.776 1.00 29.57 H new ATOM 0 HB2 ASP A 32 94.466 7.896 24.300 1.00 30.14 H new ATOM 0 HB3 ASP A 32 95.234 9.400 23.831 1.00 30.14 H new ATOM 563 N ASP A 33 93.953 8.808 27.743 1.00 29.31 N ATOM 564 CA ASP A 33 93.526 8.047 28.914 1.00 29.36 C ATOM 565 C ASP A 33 92.088 8.387 29.302 1.00 29.45 C ATOM 566 O ASP A 33 91.339 7.519 29.750 1.00 29.46 O ATOM 567 CB ASP A 33 94.455 8.344 30.094 1.00 29.00 C ATOM 568 CG ASP A 33 95.868 7.842 29.803 1.00 28.93 C ATOM 569 OD1 ASP A 33 95.998 6.856 29.097 1.00 28.91 O ATOM 570 OD2 ASP A 33 96.801 8.450 30.302 1.00 28.99 O ATOM 0 H ASP A 33 94.795 9.367 27.885 1.00 29.31 H new ATOM 0 HA ASP A 33 93.573 6.988 28.662 1.00 29.36 H new ATOM 0 HB2 ASP A 33 94.476 9.417 30.286 1.00 29.00 H new ATOM 0 HB3 ASP A 33 94.072 7.866 30.995 1.00 29.00 H new ATOM 575 N ASP A 34 91.704 9.650 29.130 1.00 29.60 N ATOM 576 CA ASP A 34 90.363 10.092 29.497 1.00 29.78 C ATOM 577 C ASP A 34 89.302 9.247 28.799 1.00 29.26 C ATOM 578 O ASP A 34 89.513 8.755 27.691 1.00 28.75 O ATOM 579 CB ASP A 34 90.178 11.563 29.114 1.00 29.98 C ATOM 580 CG ASP A 34 91.130 12.449 29.915 1.00 30.60 C ATOM 581 OD1 ASP A 34 91.443 12.095 31.041 1.00 30.62 O ATOM 582 OD2 ASP A 34 91.525 13.478 29.391 1.00 31.09 O ATOM 0 H ASP A 34 92.300 10.381 28.741 1.00 29.60 H new ATOM 0 HA ASP A 34 90.247 9.975 30.575 1.00 29.78 H new ATOM 0 HB2 ASP A 34 90.362 11.693 28.047 1.00 29.98 H new ATOM 0 HB3 ASP A 34 89.147 11.866 29.299 1.00 29.98 H new ATOM 587 N ASP A 35 88.159 9.085 29.459 1.00 29.49 N ATOM 588 CA ASP A 35 87.072 8.270 28.921 1.00 29.13 C ATOM 589 C ASP A 35 86.699 8.702 27.503 1.00 28.62 C ATOM 590 O ASP A 35 86.364 7.869 26.662 1.00 28.74 O ATOM 591 CB ASP A 35 85.844 8.383 29.828 1.00 29.64 C ATOM 592 CG ASP A 35 84.783 7.359 29.428 1.00 29.96 C ATOM 593 OD1 ASP A 35 85.151 6.306 28.931 1.00 30.10 O ATOM 594 OD2 ASP A 35 83.614 7.643 29.629 1.00 30.13 O ATOM 0 H ASP A 35 87.961 9.506 30.366 1.00 29.49 H new ATOM 0 HA ASP A 35 87.414 7.236 28.884 1.00 29.13 H new ATOM 0 HB2 ASP A 35 86.136 8.225 30.866 1.00 29.64 H new ATOM 0 HB3 ASP A 35 85.429 9.389 29.763 1.00 29.64 H new ATOM 599 N LYS A 36 86.760 10.004 27.243 1.00 28.11 N ATOM 600 CA LYS A 36 86.419 10.526 25.925 1.00 27.66 C ATOM 601 C LYS A 36 87.574 10.319 24.949 1.00 27.22 C ATOM 602 O LYS A 36 88.741 10.323 25.341 1.00 27.32 O ATOM 603 CB LYS A 36 86.090 12.015 26.022 1.00 27.52 C ATOM 604 CG LYS A 36 84.823 12.203 26.858 1.00 27.23 C ATOM 605 CD LYS A 36 84.564 13.696 27.065 1.00 27.22 C ATOM 606 CE LYS A 36 84.194 14.339 25.728 1.00 27.19 C ATOM 607 NZ LYS A 36 83.733 15.737 25.960 1.00 27.20 N ATOM 0 H LYS A 36 87.040 10.712 27.922 1.00 28.11 H new ATOM 0 HA LYS A 36 85.547 9.985 25.556 1.00 27.66 H new ATOM 0 HB2 LYS A 36 86.922 12.553 26.476 1.00 27.52 H new ATOM 0 HB3 LYS A 36 85.946 12.432 25.025 1.00 27.52 H new ATOM 0 HG2 LYS A 36 83.972 11.742 26.357 1.00 27.23 H new ATOM 0 HG3 LYS A 36 84.933 11.705 27.821 1.00 27.23 H new ATOM 0 HD2 LYS A 36 83.759 13.840 27.785 1.00 27.22 H new ATOM 0 HD3 LYS A 36 85.451 14.176 27.479 1.00 27.22 H new ATOM 0 HE2 LYS A 36 85.055 14.335 25.060 1.00 27.19 H new ATOM 0 HE3 LYS A 36 83.409 13.762 25.240 1.00 27.19 H new ATOM 0 HZ1 LYS A 36 83.481 16.175 25.051 1.00 27.20 H new ATOM 0 HZ2 LYS A 36 82.900 15.729 26.583 1.00 27.20 H new ATOM 0 HZ3 LYS A 36 84.495 16.284 26.408 1.00 27.20 H new ATOM 621 N THR A 37 87.235 10.139 23.676 1.00 26.82 N ATOM 622 CA THR A 37 88.240 9.913 22.642 1.00 26.46 C ATOM 623 C THR A 37 88.340 11.132 21.729 1.00 25.62 C ATOM 624 O THR A 37 87.352 11.829 21.500 1.00 25.25 O ATOM 625 CB THR A 37 87.864 8.680 21.817 1.00 26.42 C ATOM 626 OG1 THR A 37 87.556 7.606 22.694 1.00 26.00 O ATOM 627 CG2 THR A 37 89.038 8.284 20.921 1.00 26.99 C ATOM 0 H THR A 37 86.273 10.145 23.336 1.00 26.82 H new ATOM 0 HA THR A 37 89.206 9.749 23.119 1.00 26.46 H new ATOM 0 HB THR A 37 86.997 8.908 21.196 1.00 26.42 H new ATOM 0 HG1 THR A 37 87.313 6.815 22.169 1.00 26.00 H new ATOM 0 HG21 THR A 37 88.768 7.406 20.334 1.00 26.99 H new ATOM 0 HG22 THR A 37 89.278 9.109 20.250 1.00 26.99 H new ATOM 0 HG23 THR A 37 89.906 8.055 21.539 1.00 26.99 H new ATOM 635 N GLY A 38 89.537 11.385 21.209 1.00 25.41 N ATOM 636 CA GLY A 38 89.760 12.554 20.365 1.00 24.71 C ATOM 637 C GLY A 38 88.961 12.465 19.069 1.00 23.86 C ATOM 638 O GLY A 38 88.442 13.469 18.582 1.00 23.98 O ATOM 0 H GLY A 38 90.361 10.802 21.355 1.00 25.41 H new ATOM 0 HA2 GLY A 38 89.477 13.456 20.908 1.00 24.71 H new ATOM 0 HA3 GLY A 38 90.822 12.641 20.134 1.00 24.71 H new ATOM 642 N GLY A 39 88.864 11.260 18.512 1.00 23.08 N ATOM 643 CA GLY A 39 88.100 11.059 17.287 1.00 22.29 C ATOM 644 C GLY A 39 86.614 10.910 17.595 1.00 21.56 C ATOM 645 O GLY A 39 86.220 10.801 18.755 1.00 21.84 O ATOM 0 H GLY A 39 89.300 10.417 18.886 1.00 23.08 H new ATOM 0 HA2 GLY A 39 88.254 11.903 16.614 1.00 22.29 H new ATOM 0 HA3 GLY A 39 88.460 10.169 16.770 1.00 22.29 H new ATOM 649 N GLY A 40 85.794 10.905 16.549 1.00 20.71 N ATOM 650 CA GLY A 40 84.352 10.768 16.726 1.00 20.04 C ATOM 651 C GLY A 40 83.925 9.306 16.646 1.00 18.97 C ATOM 652 O GLY A 40 84.742 8.424 16.386 1.00 18.89 O ATOM 0 H GLY A 40 86.099 10.993 15.580 1.00 20.71 H new ATOM 0 HA2 GLY A 40 84.060 11.183 17.691 1.00 20.04 H new ATOM 0 HA3 GLY A 40 83.832 11.344 15.961 1.00 20.04 H new ATOM 656 N ARG A 41 82.639 9.061 16.872 1.00 18.25 N ATOM 657 CA ARG A 41 82.101 7.706 16.793 1.00 17.27 C ATOM 658 C ARG A 41 82.308 7.103 15.404 1.00 16.25 C ATOM 659 O ARG A 41 82.533 5.900 15.272 1.00 16.09 O ATOM 660 CB ARG A 41 80.608 7.719 17.126 1.00 16.93 C ATOM 661 CG ARG A 41 80.408 8.184 18.569 1.00 17.37 C ATOM 662 CD ARG A 41 78.925 8.098 18.934 1.00 17.58 C ATOM 663 NE ARG A 41 78.685 8.723 20.238 1.00 17.66 N ATOM 664 CZ ARG A 41 77.519 8.639 20.896 1.00 17.84 C ATOM 665 NH1 ARG A 41 76.488 7.988 20.412 1.00 17.97 N ATOM 666 NH2 ARG A 41 77.406 9.226 22.056 1.00 18.02 N ATOM 0 H ARG A 41 81.953 9.777 17.110 1.00 18.25 H new ATOM 0 HA ARG A 41 82.637 7.091 17.516 1.00 17.27 H new ATOM 0 HB2 ARG A 41 80.079 8.383 16.443 1.00 16.93 H new ATOM 0 HB3 ARG A 41 80.187 6.723 16.993 1.00 16.93 H new ATOM 0 HG2 ARG A 41 80.996 7.565 19.246 1.00 17.37 H new ATOM 0 HG3 ARG A 41 80.763 9.208 18.684 1.00 17.37 H new ATOM 0 HD2 ARG A 41 78.326 8.594 18.170 1.00 17.58 H new ATOM 0 HD3 ARG A 41 78.610 7.055 18.959 1.00 17.58 H new ATOM 0 HE ARG A 41 79.445 9.250 20.668 1.00 17.66 H new ATOM 0 HH11 ARG A 41 76.557 7.524 19.506 1.00 17.97 H new ATOM 0 HH12 ARG A 41 75.617 7.946 20.941 1.00 17.97 H new ATOM 0 HH21 ARG A 41 78.197 9.738 22.448 1.00 18.02 H new ATOM 0 HH22 ARG A 41 76.527 9.173 22.571 1.00 18.02 H new ATOM 680 N ALA A 42 82.234 7.938 14.369 1.00 15.66 N ATOM 681 CA ALA A 42 82.383 7.462 12.998 1.00 14.74 C ATOM 682 C ALA A 42 83.702 6.717 12.821 1.00 13.69 C ATOM 683 O ALA A 42 84.717 7.076 13.418 1.00 13.47 O ATOM 684 CB ALA A 42 82.329 8.643 12.028 1.00 14.40 C ATOM 0 H ALA A 42 82.073 8.942 14.454 1.00 15.66 H new ATOM 0 HA ALA A 42 81.564 6.775 12.785 1.00 14.74 H new ATOM 0 HB1 ALA A 42 82.441 8.280 11.006 1.00 14.40 H new ATOM 0 HB2 ALA A 42 81.371 9.153 12.129 1.00 14.40 H new ATOM 0 HB3 ALA A 42 83.136 9.339 12.256 1.00 14.40 H new ATOM 690 N ASP A 43 83.677 5.676 11.995 1.00 13.16 N ATOM 691 CA ASP A 43 84.867 4.868 11.754 1.00 12.24 C ATOM 692 C ASP A 43 85.896 5.672 10.949 1.00 11.13 C ATOM 693 O ASP A 43 85.500 6.446 10.076 1.00 10.97 O ATOM 694 CB ASP A 43 84.466 3.611 10.974 1.00 12.02 C ATOM 695 CG ASP A 43 85.682 2.728 10.713 1.00 12.77 C ATOM 696 OD1 ASP A 43 86.011 1.936 11.580 1.00 12.95 O ATOM 697 OD2 ASP A 43 86.265 2.857 9.649 1.00 13.28 O ATOM 0 H ASP A 43 82.849 5.373 11.483 1.00 13.16 H new ATOM 0 HA ASP A 43 85.313 4.585 12.707 1.00 12.24 H new ATOM 0 HB2 ASP A 43 83.718 3.052 11.536 1.00 12.02 H new ATOM 0 HB3 ASP A 43 84.007 3.895 10.027 1.00 12.02 H new ATOM 702 N PRO A 44 87.182 5.527 11.203 1.00 10.51 N ATOM 703 CA PRO A 44 88.218 6.246 10.397 1.00 9.55 C ATOM 704 C PRO A 44 88.325 5.682 8.983 1.00 8.51 C ATOM 705 O PRO A 44 87.494 4.877 8.564 1.00 8.55 O ATOM 706 CB PRO A 44 89.521 6.036 11.171 1.00 9.46 C ATOM 707 CG PRO A 44 89.314 4.785 11.951 1.00 10.16 C ATOM 708 CD PRO A 44 87.818 4.707 12.256 1.00 10.84 C ATOM 0 HA PRO A 44 87.973 7.301 10.271 1.00 9.55 H new ATOM 0 HB2 PRO A 44 90.370 5.942 10.494 1.00 9.46 H new ATOM 0 HB3 PRO A 44 89.729 6.880 11.828 1.00 9.46 H new ATOM 0 HG2 PRO A 44 89.640 3.914 11.382 1.00 10.16 H new ATOM 0 HG3 PRO A 44 89.897 4.801 12.872 1.00 10.16 H new ATOM 0 HD2 PRO A 44 87.460 3.678 12.228 1.00 10.84 H new ATOM 0 HD3 PRO A 44 87.595 5.095 13.250 1.00 10.84 H new ATOM 716 N ALA A 45 89.351 6.108 8.253 1.00 7.73 N ATOM 717 CA ALA A 45 89.537 5.646 6.882 1.00 6.79 C ATOM 718 C ALA A 45 89.688 4.129 6.844 1.00 5.92 C ATOM 719 O ALA A 45 90.460 3.550 7.609 1.00 6.00 O ATOM 720 CB ALA A 45 90.780 6.299 6.275 1.00 6.54 C ATOM 0 H ALA A 45 90.059 6.764 8.583 1.00 7.73 H new ATOM 0 HA ALA A 45 88.658 5.927 6.301 1.00 6.79 H new ATOM 0 HB1 ALA A 45 90.912 5.949 5.251 1.00 6.54 H new ATOM 0 HB2 ALA A 45 90.659 7.382 6.275 1.00 6.54 H new ATOM 0 HB3 ALA A 45 91.656 6.032 6.865 1.00 6.54 H new ATOM 726 N HIS A 46 88.943 3.491 5.946 1.00 5.29 N ATOM 727 CA HIS A 46 88.992 2.038 5.811 1.00 4.52 C ATOM 728 C HIS A 46 90.396 1.562 5.445 1.00 3.64 C ATOM 729 O HIS A 46 90.843 0.513 5.910 1.00 3.59 O ATOM 730 CB HIS A 46 88.001 1.583 4.740 1.00 4.52 C ATOM 731 CG HIS A 46 86.568 1.884 5.085 1.00 5.23 C ATOM 732 ND1 HIS A 46 85.903 1.229 6.108 1.00 5.54 N ATOM 733 CD2 HIS A 46 85.662 2.769 4.556 1.00 5.97 C ATOM 734 CE1 HIS A 46 84.654 1.723 6.162 1.00 6.37 C ATOM 735 NE2 HIS A 46 84.453 2.665 5.239 1.00 6.61 N ATOM 0 H HIS A 46 88.301 3.954 5.303 1.00 5.29 H new ATOM 0 HA HIS A 46 88.723 1.601 6.772 1.00 4.52 H new ATOM 0 HB2 HIS A 46 88.249 2.068 3.796 1.00 4.52 H new ATOM 0 HB3 HIS A 46 88.112 0.510 4.585 1.00 4.52 H new ATOM 0 HD2 HIS A 46 85.857 3.443 3.735 1.00 5.97 H new ATOM 0 HE1 HIS A 46 83.904 1.397 6.867 1.00 6.37 H new ATOM 0 HE2 HIS A 46 83.598 3.195 5.070 1.00 6.61 H new ATOM 743 N ARG A 47 91.088 2.332 4.610 1.00 3.15 N ATOM 744 CA ARG A 47 92.418 1.944 4.155 1.00 2.39 C ATOM 745 C ARG A 47 93.494 2.674 4.953 1.00 1.95 C ATOM 746 O ARG A 47 93.387 3.874 5.206 1.00 2.27 O ATOM 747 CB ARG A 47 92.573 2.277 2.670 1.00 2.48 C ATOM 748 CG ARG A 47 91.542 1.488 1.859 1.00 2.96 C ATOM 749 CD ARG A 47 91.755 1.752 0.367 1.00 3.27 C ATOM 750 NE ARG A 47 90.655 1.177 -0.411 1.00 4.01 N ATOM 751 CZ ARG A 47 90.687 1.032 -1.744 1.00 4.62 C ATOM 752 NH1 ARG A 47 91.723 1.396 -2.462 1.00 4.69 N ATOM 753 NH2 ARG A 47 89.653 0.512 -2.348 1.00 5.52 N ATOM 0 H ARG A 47 90.753 3.221 4.238 1.00 3.15 H new ATOM 0 HA ARG A 47 92.536 0.871 4.306 1.00 2.39 H new ATOM 0 HB2 ARG A 47 92.436 3.346 2.510 1.00 2.48 H new ATOM 0 HB3 ARG A 47 93.581 2.031 2.335 1.00 2.48 H new ATOM 0 HG2 ARG A 47 91.638 0.422 2.068 1.00 2.96 H new ATOM 0 HG3 ARG A 47 90.533 1.781 2.150 1.00 2.96 H new ATOM 0 HD2 ARG A 47 91.816 2.825 0.185 1.00 3.27 H new ATOM 0 HD3 ARG A 47 92.702 1.319 0.045 1.00 3.27 H new ATOM 0 HE ARG A 47 89.820 0.870 0.088 1.00 4.01 H new ATOM 0 HH11 ARG A 47 92.540 1.805 -2.008 1.00 4.69 H new ATOM 0 HH12 ARG A 47 91.712 1.270 -3.474 1.00 4.69 H new ATOM 0 HH21 ARG A 47 88.838 0.223 -1.807 1.00 5.52 H new ATOM 0 HH22 ARG A 47 89.660 0.394 -3.361 1.00 5.52 H new ATOM 767 N SER A 48 94.531 1.939 5.346 1.00 1.42 N ATOM 768 CA SER A 48 95.621 2.528 6.114 1.00 1.12 C ATOM 769 C SER A 48 96.539 3.396 5.246 1.00 0.90 C ATOM 770 O SER A 48 96.831 4.529 5.633 1.00 0.92 O ATOM 771 CB SER A 48 96.419 1.440 6.839 1.00 1.09 C ATOM 772 OG SER A 48 95.667 0.983 7.955 1.00 1.48 O ATOM 0 H SER A 48 94.638 0.944 5.147 1.00 1.42 H new ATOM 0 HA SER A 48 95.174 3.187 6.859 1.00 1.12 H new ATOM 0 HB2 SER A 48 96.629 0.612 6.162 1.00 1.09 H new ATOM 0 HB3 SER A 48 97.380 1.834 7.168 1.00 1.09 H new ATOM 0 HG SER A 48 96.170 0.285 8.424 1.00 1.48 H new ATOM 778 N PRO A 49 97.005 2.923 4.105 1.00 0.82 N ATOM 779 CA PRO A 49 97.844 3.770 3.199 1.00 0.74 C ATOM 780 C PRO A 49 97.227 5.147 2.965 1.00 0.60 C ATOM 781 O PRO A 49 96.057 5.255 2.596 1.00 0.60 O ATOM 782 CB PRO A 49 97.900 2.984 1.887 1.00 0.85 C ATOM 783 CG PRO A 49 97.647 1.562 2.251 1.00 1.00 C ATOM 784 CD PRO A 49 96.850 1.561 3.556 1.00 0.98 C ATOM 0 HA PRO A 49 98.828 3.958 3.629 1.00 0.74 H new ATOM 0 HB2 PRO A 49 97.151 3.346 1.183 1.00 0.85 H new ATOM 0 HB3 PRO A 49 98.871 3.097 1.405 1.00 0.85 H new ATOM 0 HG2 PRO A 49 97.092 1.056 1.461 1.00 1.00 H new ATOM 0 HG3 PRO A 49 98.587 1.024 2.374 1.00 1.00 H new ATOM 0 HD2 PRO A 49 95.801 1.326 3.377 1.00 0.98 H new ATOM 0 HD3 PRO A 49 97.231 0.811 4.249 1.00 0.98 H new ATOM 792 N VAL A 50 98.015 6.195 3.181 1.00 0.56 N ATOM 793 CA VAL A 50 97.527 7.555 2.973 1.00 0.52 C ATOM 794 C VAL A 50 97.808 7.981 1.527 1.00 0.48 C ATOM 795 O VAL A 50 98.941 7.810 1.072 1.00 0.43 O ATOM 796 CB VAL A 50 98.229 8.519 3.939 1.00 0.60 C ATOM 797 CG1 VAL A 50 97.655 9.929 3.772 1.00 0.66 C ATOM 798 CG2 VAL A 50 98.009 8.060 5.382 1.00 0.72 C ATOM 0 H VAL A 50 98.983 6.132 3.496 1.00 0.56 H new ATOM 0 HA VAL A 50 96.454 7.583 3.161 1.00 0.52 H new ATOM 0 HB VAL A 50 99.296 8.527 3.715 1.00 0.60 H new ATOM 0 HG11 VAL A 50 98.156 10.610 4.460 1.00 0.66 H new ATOM 0 HG12 VAL A 50 97.812 10.267 2.748 1.00 0.66 H new ATOM 0 HG13 VAL A 50 96.587 9.915 3.989 1.00 0.66 H new ATOM 0 HG21 VAL A 50 98.510 8.748 6.063 1.00 0.72 H new ATOM 0 HG22 VAL A 50 96.941 8.046 5.601 1.00 0.72 H new ATOM 0 HG23 VAL A 50 98.419 7.059 5.512 1.00 0.72 H new ATOM 808 N PRO A 51 96.868 8.571 0.813 1.00 0.59 N ATOM 809 CA PRO A 51 97.111 8.960 -0.611 1.00 0.64 C ATOM 810 C PRO A 51 98.382 9.790 -0.754 1.00 0.53 C ATOM 811 O PRO A 51 98.820 10.437 0.198 1.00 0.49 O ATOM 812 CB PRO A 51 95.879 9.781 -1.005 1.00 0.81 C ATOM 813 CG PRO A 51 94.806 9.363 -0.059 1.00 0.87 C ATOM 814 CD PRO A 51 95.506 8.955 1.235 1.00 0.72 C ATOM 0 HA PRO A 51 97.252 8.088 -1.250 1.00 0.64 H new ATOM 0 HB2 PRO A 51 96.078 10.850 -0.926 1.00 0.81 H new ATOM 0 HB3 PRO A 51 95.590 9.585 -2.038 1.00 0.81 H new ATOM 0 HG2 PRO A 51 94.106 10.179 0.119 1.00 0.87 H new ATOM 0 HG3 PRO A 51 94.230 8.532 -0.467 1.00 0.87 H new ATOM 0 HD2 PRO A 51 95.529 9.777 1.950 1.00 0.72 H new ATOM 0 HD3 PRO A 51 94.992 8.125 1.720 1.00 0.72 H new ATOM 822 N LEU A 52 98.971 9.768 -1.945 1.00 0.52 N ATOM 823 CA LEU A 52 100.208 10.502 -2.182 1.00 0.44 C ATOM 824 C LEU A 52 99.968 12.006 -2.031 1.00 0.45 C ATOM 825 O LEU A 52 98.851 12.468 -2.268 1.00 0.52 O ATOM 826 CB LEU A 52 100.729 10.209 -3.591 1.00 0.47 C ATOM 827 CG LEU A 52 101.125 8.735 -3.696 1.00 0.48 C ATOM 828 CD1 LEU A 52 101.381 8.380 -5.162 1.00 0.55 C ATOM 829 CD2 LEU A 52 102.399 8.492 -2.884 1.00 0.50 C ATOM 0 H LEU A 52 98.617 9.256 -2.753 1.00 0.52 H new ATOM 0 HA LEU A 52 100.948 10.182 -1.448 1.00 0.44 H new ATOM 0 HB2 LEU A 52 99.962 10.443 -4.329 1.00 0.47 H new ATOM 0 HB3 LEU A 52 101.588 10.843 -3.811 1.00 0.47 H new ATOM 0 HG LEU A 52 100.320 8.113 -3.306 1.00 0.48 H new ATOM 0 HD11 LEU A 52 101.663 7.330 -5.238 1.00 0.55 H new ATOM 0 HD12 LEU A 52 100.475 8.555 -5.742 1.00 0.55 H new ATOM 0 HD13 LEU A 52 102.187 9.002 -5.551 1.00 0.55 H new ATOM 0 HD21 LEU A 52 102.683 7.442 -2.958 1.00 0.50 H new ATOM 0 HD22 LEU A 52 103.204 9.114 -3.275 1.00 0.50 H new ATOM 0 HD23 LEU A 52 102.219 8.747 -1.840 1.00 0.50 H new ATOM 841 N PRO A 53 100.966 12.777 -1.648 1.00 0.43 N ATOM 842 CA PRO A 53 100.790 14.253 -1.498 1.00 0.51 C ATOM 843 C PRO A 53 100.705 14.947 -2.853 1.00 0.44 C ATOM 844 O PRO A 53 101.213 14.433 -3.853 1.00 0.37 O ATOM 845 CB PRO A 53 102.032 14.704 -0.729 1.00 0.59 C ATOM 846 CG PRO A 53 103.081 13.696 -1.049 1.00 0.59 C ATOM 847 CD PRO A 53 102.354 12.379 -1.327 1.00 0.44 C ATOM 0 HA PRO A 53 99.863 14.505 -0.983 1.00 0.51 H new ATOM 0 HB2 PRO A 53 102.341 15.704 -1.034 1.00 0.59 H new ATOM 0 HB3 PRO A 53 101.838 14.743 0.343 1.00 0.59 H new ATOM 0 HG2 PRO A 53 103.665 14.006 -1.916 1.00 0.59 H new ATOM 0 HG3 PRO A 53 103.778 13.586 -0.218 1.00 0.59 H new ATOM 0 HD2 PRO A 53 102.813 11.840 -2.156 1.00 0.44 H new ATOM 0 HD3 PRO A 53 102.386 11.718 -0.461 1.00 0.44 H new ATOM 855 N SER A 54 100.107 16.139 -2.871 1.00 0.51 N ATOM 856 CA SER A 54 99.901 16.865 -4.121 1.00 0.54 C ATOM 857 C SER A 54 101.242 17.056 -4.843 1.00 0.50 C ATOM 858 O SER A 54 102.140 17.682 -4.276 1.00 0.52 O ATOM 859 CB SER A 54 99.292 18.236 -3.823 1.00 0.64 C ATOM 860 OG SER A 54 98.267 18.089 -2.850 1.00 1.26 O ATOM 0 H SER A 54 99.760 16.618 -2.040 1.00 0.51 H new ATOM 0 HA SER A 54 99.226 16.292 -4.757 1.00 0.54 H new ATOM 0 HB2 SER A 54 100.061 18.918 -3.459 1.00 0.64 H new ATOM 0 HB3 SER A 54 98.885 18.673 -4.735 1.00 0.64 H new ATOM 0 HG SER A 54 97.874 18.965 -2.654 1.00 1.26 H new ATOM 866 N PRO A 55 101.415 16.559 -6.051 1.00 0.56 N ATOM 867 CA PRO A 55 102.764 16.522 -6.683 1.00 0.61 C ATOM 868 C PRO A 55 103.187 17.855 -7.287 1.00 0.60 C ATOM 869 O PRO A 55 102.525 18.382 -8.182 1.00 0.64 O ATOM 870 CB PRO A 55 102.619 15.464 -7.775 1.00 0.75 C ATOM 871 CG PRO A 55 101.192 15.536 -8.197 1.00 0.78 C ATOM 872 CD PRO A 55 100.397 16.039 -6.989 1.00 0.67 C ATOM 0 HA PRO A 55 103.537 16.300 -5.947 1.00 0.61 H new ATOM 0 HB2 PRO A 55 103.288 15.666 -8.611 1.00 0.75 H new ATOM 0 HB3 PRO A 55 102.869 14.472 -7.399 1.00 0.75 H new ATOM 0 HG2 PRO A 55 101.074 16.210 -9.045 1.00 0.78 H new ATOM 0 HG3 PRO A 55 100.833 14.557 -8.515 1.00 0.78 H new ATOM 0 HD2 PRO A 55 99.691 16.818 -7.277 1.00 0.67 H new ATOM 0 HD3 PRO A 55 99.817 15.235 -6.536 1.00 0.67 H new ATOM 880 N THR A 56 104.294 18.396 -6.790 1.00 0.63 N ATOM 881 CA THR A 56 104.948 19.504 -7.473 1.00 0.67 C ATOM 882 C THR A 56 105.722 18.929 -8.651 1.00 0.64 C ATOM 883 O THR A 56 106.069 17.745 -8.638 1.00 0.53 O ATOM 884 CB THR A 56 105.902 20.237 -6.525 1.00 0.71 C ATOM 885 OG1 THR A 56 106.951 19.360 -6.139 1.00 0.66 O ATOM 886 CG2 THR A 56 105.142 20.710 -5.284 1.00 0.79 C ATOM 0 H THR A 56 104.751 18.091 -5.931 1.00 0.63 H new ATOM 0 HA THR A 56 104.204 20.223 -7.815 1.00 0.67 H new ATOM 0 HB THR A 56 106.322 21.104 -7.036 1.00 0.71 H new ATOM 0 HG1 THR A 56 107.563 19.828 -5.534 1.00 0.66 H new ATOM 0 HG21 THR A 56 105.827 21.230 -4.614 1.00 0.79 H new ATOM 0 HG22 THR A 56 104.342 21.387 -5.583 1.00 0.79 H new ATOM 0 HG23 THR A 56 104.715 19.850 -4.769 1.00 0.79 H new ATOM 894 N SER A 57 106.023 19.749 -9.657 1.00 0.77 N ATOM 895 CA SER A 57 106.622 19.221 -10.880 1.00 0.79 C ATOM 896 C SER A 57 107.913 18.465 -10.574 1.00 0.65 C ATOM 897 O SER A 57 108.824 18.994 -9.938 1.00 0.63 O ATOM 898 CB SER A 57 106.917 20.364 -11.852 1.00 0.97 C ATOM 899 OG SER A 57 107.405 19.824 -13.073 1.00 1.73 O ATOM 0 H SER A 57 105.867 20.757 -9.652 1.00 0.77 H new ATOM 0 HA SER A 57 105.913 18.528 -11.334 1.00 0.79 H new ATOM 0 HB2 SER A 57 106.013 20.946 -12.033 1.00 0.97 H new ATOM 0 HB3 SER A 57 107.652 21.043 -11.421 1.00 0.97 H new ATOM 0 HG SER A 57 107.594 20.553 -13.700 1.00 1.73 H new ATOM 905 N ASN A 58 107.967 17.217 -11.032 1.00 0.62 N ATOM 906 CA ASN A 58 109.176 16.406 -10.940 1.00 0.53 C ATOM 907 C ASN A 58 109.589 16.124 -9.495 1.00 0.37 C ATOM 908 O ASN A 58 110.763 15.849 -9.247 1.00 0.33 O ATOM 909 CB ASN A 58 110.331 17.105 -11.663 1.00 0.61 C ATOM 910 CG ASN A 58 109.991 17.301 -13.138 1.00 1.34 C ATOM 911 OD1 ASN A 58 109.154 16.585 -13.687 1.00 2.28 O ATOM 912 ND2 ASN A 58 110.599 18.235 -13.817 1.00 1.79 N ATOM 0 H ASN A 58 107.180 16.743 -11.474 1.00 0.62 H new ATOM 0 HA ASN A 58 108.950 15.450 -11.413 1.00 0.53 H new ATOM 0 HB2 ASN A 58 110.530 18.070 -11.197 1.00 0.61 H new ATOM 0 HB3 ASN A 58 111.241 16.512 -11.568 1.00 0.61 H new ATOM 0 HD21 ASN A 58 110.381 18.372 -14.804 1.00 1.79 H new ATOM 0 HD22 ASN A 58 111.292 18.828 -13.361 1.00 1.79 H new ATOM 919 N LYS A 59 108.649 16.174 -8.546 1.00 0.34 N ATOM 920 CA LYS A 59 109.001 15.941 -7.144 1.00 0.27 C ATOM 921 C LYS A 59 107.790 15.536 -6.300 1.00 0.21 C ATOM 922 O LYS A 59 106.687 16.051 -6.485 1.00 0.26 O ATOM 923 CB LYS A 59 109.626 17.211 -6.561 1.00 0.50 C ATOM 924 CG LYS A 59 110.153 16.935 -5.149 1.00 1.14 C ATOM 925 CD LYS A 59 110.697 18.230 -4.545 1.00 1.04 C ATOM 926 CE LYS A 59 111.351 17.932 -3.195 1.00 2.05 C ATOM 927 NZ LYS A 59 110.299 17.834 -2.145 1.00 2.60 N ATOM 0 H LYS A 59 107.662 16.369 -8.717 1.00 0.34 H new ATOM 0 HA LYS A 59 109.712 15.115 -7.115 1.00 0.27 H new ATOM 0 HB2 LYS A 59 110.439 17.553 -7.201 1.00 0.50 H new ATOM 0 HB3 LYS A 59 108.886 18.010 -6.532 1.00 0.50 H new ATOM 0 HG2 LYS A 59 109.355 16.537 -4.523 1.00 1.14 H new ATOM 0 HG3 LYS A 59 110.938 16.180 -5.184 1.00 1.14 H new ATOM 0 HD2 LYS A 59 111.424 18.681 -5.221 1.00 1.04 H new ATOM 0 HD3 LYS A 59 109.890 18.951 -4.418 1.00 1.04 H new ATOM 0 HE2 LYS A 59 111.914 17.000 -3.249 1.00 2.05 H new ATOM 0 HE3 LYS A 59 112.061 18.719 -2.941 1.00 2.05 H new ATOM 0 HZ1 LYS A 59 110.730 17.971 -1.208 1.00 2.60 H new ATOM 0 HZ2 LYS A 59 109.579 18.567 -2.306 1.00 2.60 H new ATOM 0 HZ3 LYS A 59 109.853 16.895 -2.187 1.00 2.60 H new ATOM 941 N GLN A 60 108.015 14.609 -5.369 1.00 0.16 N ATOM 942 CA GLN A 60 107.000 14.251 -4.378 1.00 0.13 C ATOM 943 C GLN A 60 107.648 13.830 -3.063 1.00 0.12 C ATOM 944 O GLN A 60 108.773 13.334 -3.044 1.00 0.13 O ATOM 945 CB GLN A 60 106.111 13.102 -4.861 1.00 0.15 C ATOM 946 CG GLN A 60 105.256 13.553 -6.044 1.00 0.16 C ATOM 947 CD GLN A 60 104.242 12.465 -6.388 1.00 0.21 C ATOM 948 OE1 GLN A 60 104.575 11.510 -7.090 1.00 0.28 O ATOM 949 NE2 GLN A 60 103.021 12.538 -5.923 1.00 0.24 N ATOM 0 H GLN A 60 108.890 14.093 -5.280 1.00 0.16 H new ATOM 0 HA GLN A 60 106.388 15.141 -4.229 1.00 0.13 H new ATOM 0 HB2 GLN A 60 106.729 12.253 -5.153 1.00 0.15 H new ATOM 0 HB3 GLN A 60 105.469 12.764 -4.048 1.00 0.15 H new ATOM 0 HG2 GLN A 60 104.740 14.481 -5.799 1.00 0.16 H new ATOM 0 HG3 GLN A 60 105.890 13.759 -6.906 1.00 0.16 H new ATOM 0 HE21 GLN A 60 102.743 13.328 -5.341 1.00 0.24 H new ATOM 0 HE22 GLN A 60 102.347 11.804 -6.142 1.00 0.24 H new ATOM 958 N ASP A 61 106.922 14.017 -1.965 1.00 0.11 N ATOM 959 CA ASP A 61 107.374 13.524 -0.669 1.00 0.11 C ATOM 960 C ASP A 61 106.702 12.187 -0.371 1.00 0.12 C ATOM 961 O ASP A 61 105.479 12.073 -0.466 1.00 0.15 O ATOM 962 CB ASP A 61 107.019 14.529 0.430 1.00 0.13 C ATOM 963 CG ASP A 61 107.717 15.864 0.185 1.00 0.14 C ATOM 964 OD1 ASP A 61 108.800 15.857 -0.377 1.00 0.14 O ATOM 965 OD2 ASP A 61 107.156 16.879 0.564 1.00 0.16 O ATOM 0 H ASP A 61 106.025 14.502 -1.946 1.00 0.11 H new ATOM 0 HA ASP A 61 108.456 13.394 -0.696 1.00 0.11 H new ATOM 0 HB2 ASP A 61 105.940 14.677 0.459 1.00 0.13 H new ATOM 0 HB3 ASP A 61 107.313 14.132 1.402 1.00 0.13 H new ATOM 970 N ILE A 62 107.489 11.175 -0.010 1.00 0.12 N ATOM 971 CA ILE A 62 106.932 9.848 0.269 1.00 0.16 C ATOM 972 C ILE A 62 107.425 9.321 1.616 1.00 0.13 C ATOM 973 O ILE A 62 108.519 9.659 2.064 1.00 0.12 O ATOM 974 CB ILE A 62 107.298 8.877 -0.862 1.00 0.21 C ATOM 975 CG1 ILE A 62 106.612 7.528 -0.613 1.00 0.26 C ATOM 976 CG2 ILE A 62 108.815 8.676 -0.929 1.00 0.19 C ATOM 977 CD1 ILE A 62 106.460 6.748 -1.924 1.00 0.41 C ATOM 0 H ILE A 62 108.501 11.244 0.096 1.00 0.12 H new ATOM 0 HA ILE A 62 105.846 9.931 0.322 1.00 0.16 H new ATOM 0 HB ILE A 62 106.960 9.296 -1.810 1.00 0.21 H new ATOM 0 HG12 ILE A 62 107.195 6.943 0.098 1.00 0.26 H new ATOM 0 HG13 ILE A 62 105.632 7.690 -0.165 1.00 0.26 H new ATOM 0 HG21 ILE A 62 109.055 7.985 -1.737 1.00 0.19 H new ATOM 0 HG22 ILE A 62 109.301 9.634 -1.115 1.00 0.19 H new ATOM 0 HG23 ILE A 62 109.170 8.266 0.017 1.00 0.19 H new ATOM 0 HD11 ILE A 62 105.971 5.794 -1.725 1.00 0.41 H new ATOM 0 HD12 ILE A 62 105.856 7.326 -2.624 1.00 0.41 H new ATOM 0 HD13 ILE A 62 107.444 6.568 -2.357 1.00 0.41 H new ATOM 989 N SER A 63 106.615 8.475 2.250 1.00 0.14 N ATOM 990 CA SER A 63 106.953 7.971 3.576 1.00 0.13 C ATOM 991 C SER A 63 106.376 6.579 3.813 1.00 0.13 C ATOM 992 O SER A 63 105.529 6.093 3.058 1.00 0.15 O ATOM 993 CB SER A 63 106.422 8.929 4.644 1.00 0.17 C ATOM 994 OG SER A 63 105.003 8.861 4.669 1.00 0.20 O ATOM 0 H SER A 63 105.733 8.129 1.872 1.00 0.14 H new ATOM 0 HA SER A 63 108.039 7.904 3.639 1.00 0.13 H new ATOM 0 HB2 SER A 63 106.828 8.665 5.621 1.00 0.17 H new ATOM 0 HB3 SER A 63 106.745 9.947 4.429 1.00 0.17 H new ATOM 0 HG SER A 63 104.650 9.063 3.777 1.00 0.20 H new ATOM 1000 N GLU A 64 106.837 5.941 4.883 1.00 0.14 N ATOM 1001 CA GLU A 64 106.333 4.627 5.259 1.00 0.15 C ATOM 1002 C GLU A 64 104.814 4.647 5.426 1.00 0.18 C ATOM 1003 O GLU A 64 104.139 3.676 5.091 1.00 0.19 O ATOM 1004 CB GLU A 64 106.988 4.173 6.566 1.00 0.16 C ATOM 1005 CG GLU A 64 106.711 5.199 7.672 1.00 0.18 C ATOM 1006 CD GLU A 64 107.437 4.845 8.975 1.00 0.20 C ATOM 1007 OE1 GLU A 64 108.015 3.771 9.066 1.00 1.10 O ATOM 1008 OE2 GLU A 64 107.398 5.664 9.878 1.00 1.06 O ATOM 0 H GLU A 64 107.557 6.312 5.503 1.00 0.14 H new ATOM 0 HA GLU A 64 106.582 3.927 4.461 1.00 0.15 H new ATOM 0 HB2 GLU A 64 106.600 3.197 6.858 1.00 0.16 H new ATOM 0 HB3 GLU A 64 108.063 4.059 6.424 1.00 0.16 H new ATOM 0 HG2 GLU A 64 107.026 6.187 7.338 1.00 0.18 H new ATOM 0 HG3 GLU A 64 105.638 5.253 7.857 1.00 0.18 H new ATOM 1015 N ALA A 65 104.272 5.761 5.914 1.00 0.19 N ATOM 1016 CA ALA A 65 102.832 5.869 6.119 1.00 0.23 C ATOM 1017 C ALA A 65 102.083 5.676 4.803 1.00 0.24 C ATOM 1018 O ALA A 65 101.036 5.029 4.766 1.00 0.29 O ATOM 1019 CB ALA A 65 102.491 7.238 6.707 1.00 0.25 C ATOM 0 H ALA A 65 104.803 6.593 6.172 1.00 0.19 H new ATOM 0 HA ALA A 65 102.524 5.087 6.814 1.00 0.23 H new ATOM 0 HB1 ALA A 65 101.414 7.311 6.857 1.00 0.25 H new ATOM 0 HB2 ALA A 65 103.000 7.360 7.663 1.00 0.25 H new ATOM 0 HB3 ALA A 65 102.816 8.020 6.020 1.00 0.25 H new ATOM 1025 N ASN A 66 102.622 6.238 3.725 1.00 0.23 N ATOM 1026 CA ASN A 66 101.973 6.139 2.421 1.00 0.27 C ATOM 1027 C ASN A 66 101.962 4.700 1.916 1.00 0.27 C ATOM 1028 O ASN A 66 100.937 4.201 1.451 1.00 0.32 O ATOM 1029 CB ASN A 66 102.710 7.011 1.402 1.00 0.31 C ATOM 1030 CG ASN A 66 102.747 8.459 1.877 1.00 0.29 C ATOM 1031 OD1 ASN A 66 103.799 8.957 2.279 1.00 0.28 O ATOM 1032 ND2 ASN A 66 101.655 9.171 1.843 1.00 0.30 N ATOM 0 H ASN A 66 103.497 6.762 3.727 1.00 0.23 H new ATOM 0 HA ASN A 66 100.945 6.481 2.537 1.00 0.27 H new ATOM 0 HB2 ASN A 66 103.726 6.640 1.262 1.00 0.31 H new ATOM 0 HB3 ASN A 66 102.213 6.951 0.434 1.00 0.31 H new ATOM 0 HD21 ASN A 66 101.671 10.144 2.150 1.00 0.30 H new ATOM 0 HD22 ASN A 66 100.785 8.755 1.509 1.00 0.30 H new ATOM 1039 N LEU A 67 103.110 4.039 2.013 1.00 0.23 N ATOM 1040 CA LEU A 67 103.262 2.698 1.446 1.00 0.24 C ATOM 1041 C LEU A 67 102.855 1.573 2.407 1.00 0.26 C ATOM 1042 O LEU A 67 102.783 0.416 1.994 1.00 0.33 O ATOM 1043 CB LEU A 67 104.719 2.508 0.996 1.00 0.25 C ATOM 1044 CG LEU A 67 104.922 3.014 -0.442 1.00 0.31 C ATOM 1045 CD1 LEU A 67 104.542 4.494 -0.564 1.00 0.93 C ATOM 1046 CD2 LEU A 67 106.393 2.850 -0.826 1.00 1.05 C ATOM 0 H LEU A 67 103.944 4.403 2.474 1.00 0.23 H new ATOM 0 HA LEU A 67 102.581 2.628 0.598 1.00 0.24 H new ATOM 0 HB2 LEU A 67 105.385 3.045 1.672 1.00 0.25 H new ATOM 0 HB3 LEU A 67 104.987 1.453 1.055 1.00 0.25 H new ATOM 0 HG LEU A 67 104.282 2.433 -1.106 1.00 0.31 H new ATOM 0 HD11 LEU A 67 104.695 4.826 -1.591 1.00 0.93 H new ATOM 0 HD12 LEU A 67 103.494 4.624 -0.293 1.00 0.93 H new ATOM 0 HD13 LEU A 67 105.166 5.086 0.105 1.00 0.93 H new ATOM 0 HD21 LEU A 67 106.545 3.207 -1.845 1.00 1.05 H new ATOM 0 HD22 LEU A 67 107.014 3.429 -0.142 1.00 1.05 H new ATOM 0 HD23 LEU A 67 106.670 1.797 -0.765 1.00 1.05 H new ATOM 1058 N ALA A 68 102.589 1.891 3.675 1.00 0.25 N ATOM 1059 CA ALA A 68 102.180 0.873 4.641 1.00 0.27 C ATOM 1060 C ALA A 68 103.322 -0.136 4.834 1.00 0.27 C ATOM 1061 O ALA A 68 104.481 0.210 4.612 1.00 0.23 O ATOM 1062 CB ALA A 68 100.886 0.199 4.157 1.00 0.32 C ATOM 0 H ALA A 68 102.649 2.836 4.053 1.00 0.25 H new ATOM 0 HA ALA A 68 101.973 1.328 5.610 1.00 0.27 H new ATOM 0 HB1 ALA A 68 100.580 -0.560 4.877 1.00 0.32 H new ATOM 0 HB2 ALA A 68 100.099 0.947 4.063 1.00 0.32 H new ATOM 0 HB3 ALA A 68 101.060 -0.269 3.188 1.00 0.32 H new ATOM 1068 N TYR A 69 103.019 -1.376 5.219 1.00 0.30 N ATOM 1069 CA TYR A 69 104.063 -2.371 5.472 1.00 0.31 C ATOM 1070 C TYR A 69 104.975 -2.584 4.256 1.00 0.28 C ATOM 1071 O TYR A 69 106.100 -3.062 4.400 1.00 0.27 O ATOM 1072 CB TYR A 69 103.417 -3.700 5.865 1.00 0.38 C ATOM 1073 CG TYR A 69 102.590 -3.613 7.125 1.00 1.16 C ATOM 1074 CD1 TYR A 69 103.215 -3.642 8.377 1.00 2.01 C ATOM 1075 CD2 TYR A 69 101.197 -3.500 7.041 1.00 1.92 C ATOM 1076 CE1 TYR A 69 102.448 -3.558 9.545 1.00 2.82 C ATOM 1077 CE2 TYR A 69 100.429 -3.415 8.209 1.00 2.74 C ATOM 1078 CZ TYR A 69 101.055 -3.444 9.461 1.00 3.01 C ATOM 1079 OH TYR A 69 100.299 -3.362 10.613 1.00 3.94 O ATOM 0 H TYR A 69 102.067 -1.714 5.362 1.00 0.30 H new ATOM 0 HA TYR A 69 104.684 -1.994 6.285 1.00 0.31 H new ATOM 0 HB2 TYR A 69 102.785 -4.044 5.047 1.00 0.38 H new ATOM 0 HB3 TYR A 69 104.197 -4.449 6.002 1.00 0.38 H new ATOM 0 HD1 TYR A 69 104.290 -3.729 8.442 1.00 2.01 H new ATOM 0 HD2 TYR A 69 100.715 -3.478 6.075 1.00 1.92 H new ATOM 0 HE1 TYR A 69 102.931 -3.581 10.511 1.00 2.82 H new ATOM 0 HE2 TYR A 69 99.355 -3.327 8.144 1.00 2.74 H new ATOM 0 HH TYR A 69 99.351 -3.286 10.377 1.00 3.94 H new ATOM 1089 N LEU A 70 104.495 -2.234 3.064 1.00 0.28 N ATOM 1090 CA LEU A 70 105.285 -2.385 1.841 1.00 0.28 C ATOM 1091 C LEU A 70 106.599 -1.593 1.889 1.00 0.22 C ATOM 1092 O LEU A 70 107.528 -1.887 1.137 1.00 0.22 O ATOM 1093 CB LEU A 70 104.466 -1.924 0.631 1.00 0.31 C ATOM 1094 CG LEU A 70 103.151 -2.707 0.549 1.00 1.01 C ATOM 1095 CD1 LEU A 70 102.317 -2.177 -0.617 1.00 1.67 C ATOM 1096 CD2 LEU A 70 103.443 -4.193 0.319 1.00 1.52 C ATOM 0 H LEU A 70 103.564 -1.844 2.918 1.00 0.28 H new ATOM 0 HA LEU A 70 105.536 -3.442 1.752 1.00 0.28 H new ATOM 0 HB2 LEU A 70 104.257 -0.857 0.710 1.00 0.31 H new ATOM 0 HB3 LEU A 70 105.042 -2.070 -0.283 1.00 0.31 H new ATOM 0 HG LEU A 70 102.604 -2.585 1.484 1.00 1.01 H new ATOM 0 HD11 LEU A 70 101.381 -2.733 -0.677 1.00 1.67 H new ATOM 0 HD12 LEU A 70 102.102 -1.120 -0.460 1.00 1.67 H new ATOM 0 HD13 LEU A 70 102.872 -2.300 -1.547 1.00 1.67 H new ATOM 0 HD21 LEU A 70 102.504 -4.744 0.262 1.00 1.52 H new ATOM 0 HD22 LEU A 70 103.993 -4.316 -0.614 1.00 1.52 H new ATOM 0 HD23 LEU A 70 104.040 -4.579 1.145 1.00 1.52 H new ATOM 1108 N TRP A 71 106.681 -0.593 2.766 1.00 0.19 N ATOM 1109 CA TRP A 71 107.859 0.261 2.853 1.00 0.15 C ATOM 1110 C TRP A 71 109.116 -0.591 3.088 1.00 0.14 C ATOM 1111 O TRP A 71 109.253 -1.173 4.165 1.00 0.18 O ATOM 1112 CB TRP A 71 107.675 1.218 4.030 1.00 0.14 C ATOM 1113 CG TRP A 71 108.659 2.343 4.058 1.00 0.11 C ATOM 1114 CD1 TRP A 71 109.595 2.523 5.015 1.00 0.10 C ATOM 1115 CD2 TRP A 71 108.821 3.443 3.114 1.00 0.11 C ATOM 1116 NE1 TRP A 71 110.307 3.673 4.735 1.00 0.09 N ATOM 1117 CE2 TRP A 71 109.876 4.271 3.567 1.00 0.09 C ATOM 1118 CE3 TRP A 71 108.162 3.801 1.926 1.00 0.13 C ATOM 1119 CZ2 TRP A 71 110.264 5.416 2.862 1.00 0.11 C ATOM 1120 CZ3 TRP A 71 108.548 4.946 1.215 1.00 0.14 C ATOM 1121 CH2 TRP A 71 109.596 5.753 1.682 1.00 0.13 C ATOM 0 H TRP A 71 105.941 -0.356 3.427 1.00 0.19 H new ATOM 0 HA TRP A 71 107.978 0.815 1.922 1.00 0.15 H new ATOM 0 HB2 TRP A 71 106.667 1.631 3.995 1.00 0.14 H new ATOM 0 HB3 TRP A 71 107.756 0.654 4.959 1.00 0.14 H new ATOM 0 HD1 TRP A 71 109.760 1.873 5.862 1.00 0.10 H new ATOM 0 HE1 TRP A 71 111.060 4.036 5.320 1.00 0.09 H new ATOM 0 HE3 TRP A 71 107.352 3.189 1.558 1.00 0.13 H new ATOM 0 HZ2 TRP A 71 111.072 6.033 3.227 1.00 0.11 H new ATOM 0 HZ3 TRP A 71 108.035 5.208 0.302 1.00 0.14 H new ATOM 0 HH2 TRP A 71 109.886 6.634 1.130 1.00 0.13 H new ATOM 1132 N PRO A 72 110.034 -0.688 2.145 1.00 0.15 N ATOM 1133 CA PRO A 72 111.215 -1.592 2.283 1.00 0.18 C ATOM 1134 C PRO A 72 112.428 -0.940 2.947 1.00 0.15 C ATOM 1135 O PRO A 72 113.387 -1.632 3.290 1.00 0.19 O ATOM 1136 CB PRO A 72 111.529 -1.959 0.836 1.00 0.24 C ATOM 1137 CG PRO A 72 111.169 -0.745 0.047 1.00 0.24 C ATOM 1138 CD PRO A 72 110.099 0.007 0.843 1.00 0.19 C ATOM 0 HA PRO A 72 110.992 -2.439 2.932 1.00 0.18 H new ATOM 0 HB2 PRO A 72 112.582 -2.213 0.712 1.00 0.24 H new ATOM 0 HB3 PRO A 72 110.952 -2.826 0.514 1.00 0.24 H new ATOM 0 HG2 PRO A 72 112.044 -0.115 -0.112 1.00 0.24 H new ATOM 0 HG3 PRO A 72 110.793 -1.023 -0.938 1.00 0.24 H new ATOM 0 HD2 PRO A 72 110.365 1.057 0.968 1.00 0.19 H new ATOM 0 HD3 PRO A 72 109.136 -0.019 0.333 1.00 0.19 H new ATOM 1146 N LEU A 73 112.418 0.386 3.079 1.00 0.11 N ATOM 1147 CA LEU A 73 113.580 1.095 3.609 1.00 0.10 C ATOM 1148 C LEU A 73 113.537 1.186 5.130 1.00 0.11 C ATOM 1149 O LEU A 73 112.474 1.343 5.730 1.00 0.11 O ATOM 1150 CB LEU A 73 113.644 2.512 3.037 1.00 0.09 C ATOM 1151 CG LEU A 73 113.648 2.476 1.508 1.00 0.10 C ATOM 1152 CD1 LEU A 73 113.651 3.914 0.988 1.00 0.11 C ATOM 1153 CD2 LEU A 73 114.904 1.755 1.006 1.00 0.10 C ATOM 0 H LEU A 73 111.630 0.983 2.830 1.00 0.11 H new ATOM 0 HA LEU A 73 114.464 0.529 3.314 1.00 0.10 H new ATOM 0 HB2 LEU A 73 112.791 3.091 3.390 1.00 0.09 H new ATOM 0 HB3 LEU A 73 114.542 3.015 3.397 1.00 0.09 H new ATOM 0 HG LEU A 73 112.766 1.944 1.150 1.00 0.10 H new ATOM 0 HD11 LEU A 73 113.654 3.907 -0.102 1.00 0.11 H new ATOM 0 HD12 LEU A 73 112.761 4.432 1.345 1.00 0.11 H new ATOM 0 HD13 LEU A 73 114.540 4.430 1.350 1.00 0.11 H new ATOM 0 HD21 LEU A 73 114.900 1.733 -0.084 1.00 0.10 H new ATOM 0 HD22 LEU A 73 115.791 2.284 1.355 1.00 0.10 H new ATOM 0 HD23 LEU A 73 114.915 0.735 1.389 1.00 0.10 H new ATOM 1165 N THR A 74 114.713 1.086 5.739 1.00 0.12 N ATOM 1166 CA THR A 74 114.850 1.246 7.181 1.00 0.14 C ATOM 1167 C THR A 74 114.569 2.688 7.596 1.00 0.14 C ATOM 1168 O THR A 74 113.984 2.923 8.654 1.00 0.15 O ATOM 1169 CB THR A 74 116.263 0.854 7.622 1.00 0.16 C ATOM 1170 OG1 THR A 74 117.205 1.720 7.007 1.00 0.17 O ATOM 1171 CG2 THR A 74 116.549 -0.592 7.211 1.00 0.16 C ATOM 0 H THR A 74 115.589 0.894 5.253 1.00 0.12 H new ATOM 0 HA THR A 74 114.123 0.594 7.665 1.00 0.14 H new ATOM 0 HB THR A 74 116.342 0.940 8.706 1.00 0.16 H new ATOM 0 HG1 THR A 74 117.372 1.422 6.089 1.00 0.17 H new ATOM 0 HG21 THR A 74 117.555 -0.868 7.526 1.00 0.16 H new ATOM 0 HG22 THR A 74 115.826 -1.255 7.686 1.00 0.16 H new ATOM 0 HG23 THR A 74 116.470 -0.685 6.128 1.00 0.16 H new ATOM 1179 N VAL A 75 114.983 3.653 6.769 1.00 0.14 N ATOM 1180 CA VAL A 75 114.671 5.050 7.053 1.00 0.15 C ATOM 1181 C VAL A 75 113.171 5.243 6.904 1.00 0.13 C ATOM 1182 O VAL A 75 112.588 4.842 5.901 1.00 0.11 O ATOM 1183 CB VAL A 75 115.426 5.996 6.113 1.00 0.16 C ATOM 1184 CG1 VAL A 75 116.931 5.827 6.324 1.00 0.15 C ATOM 1185 CG2 VAL A 75 115.081 5.682 4.656 1.00 0.17 C ATOM 0 H VAL A 75 115.522 3.495 5.918 1.00 0.14 H new ATOM 0 HA VAL A 75 114.986 5.289 8.069 1.00 0.15 H new ATOM 0 HB VAL A 75 115.133 7.022 6.334 1.00 0.16 H new ATOM 0 HG11 VAL A 75 117.470 6.499 5.656 1.00 0.15 H new ATOM 0 HG12 VAL A 75 117.182 6.064 7.358 1.00 0.15 H new ATOM 0 HG13 VAL A 75 117.215 4.797 6.109 1.00 0.15 H new ATOM 0 HG21 VAL A 75 115.624 6.361 3.999 1.00 0.17 H new ATOM 0 HG22 VAL A 75 115.363 4.654 4.429 1.00 0.17 H new ATOM 0 HG23 VAL A 75 114.009 5.807 4.501 1.00 0.17 H new ATOM 1195 N ASP A 76 112.545 5.840 7.910 1.00 0.14 N ATOM 1196 CA ASP A 76 111.088 5.877 7.965 1.00 0.14 C ATOM 1197 C ASP A 76 110.490 6.604 6.769 1.00 0.13 C ATOM 1198 O ASP A 76 109.391 6.262 6.332 1.00 0.13 O ATOM 1199 CB ASP A 76 110.626 6.542 9.264 1.00 0.16 C ATOM 1200 CG ASP A 76 111.051 5.708 10.470 1.00 1.03 C ATOM 1201 OD1 ASP A 76 111.112 4.495 10.343 1.00 1.80 O ATOM 1202 OD2 ASP A 76 111.312 6.297 11.507 1.00 1.75 O ATOM 0 H ASP A 76 113.015 6.300 8.690 1.00 0.14 H new ATOM 0 HA ASP A 76 110.734 4.846 7.936 1.00 0.14 H new ATOM 0 HB2 ASP A 76 111.051 7.543 9.338 1.00 0.16 H new ATOM 0 HB3 ASP A 76 109.542 6.655 9.256 1.00 0.16 H new ATOM 1207 N HIS A 77 111.186 7.615 6.256 1.00 0.12 N ATOM 1208 CA HIS A 77 110.674 8.357 5.111 1.00 0.12 C ATOM 1209 C HIS A 77 111.812 8.836 4.225 1.00 0.11 C ATOM 1210 O HIS A 77 112.982 8.626 4.538 1.00 0.11 O ATOM 1211 CB HIS A 77 109.833 9.546 5.582 1.00 0.16 C ATOM 1212 CG HIS A 77 110.546 10.451 6.548 1.00 0.25 C ATOM 1213 ND1 HIS A 77 111.025 10.001 7.768 1.00 0.37 N ATOM 1214 CD2 HIS A 77 110.854 11.790 6.496 1.00 0.37 C ATOM 1215 CE1 HIS A 77 111.588 11.048 8.394 1.00 0.47 C ATOM 1216 NE2 HIS A 77 111.513 12.164 7.664 1.00 0.46 N ATOM 0 H HIS A 77 112.089 7.934 6.608 1.00 0.12 H new ATOM 0 HA HIS A 77 110.042 7.689 4.526 1.00 0.12 H new ATOM 0 HB2 HIS A 77 109.526 10.128 4.713 1.00 0.16 H new ATOM 0 HB3 HIS A 77 108.924 9.172 6.053 1.00 0.16 H new ATOM 0 HD2 HIS A 77 110.620 12.451 5.674 1.00 0.37 H new ATOM 0 HE1 HIS A 77 112.046 10.994 9.370 1.00 0.47 H new ATOM 0 HE2 HIS A 77 111.863 13.090 7.909 1.00 0.46 H new ATOM 1224 N GLY A 78 111.451 9.423 3.092 1.00 0.10 N ATOM 1225 CA GLY A 78 112.425 10.014 2.191 1.00 0.10 C ATOM 1226 C GLY A 78 111.709 10.784 1.089 1.00 0.09 C ATOM 1227 O GLY A 78 110.511 10.607 0.861 1.00 0.09 O ATOM 0 H GLY A 78 110.484 9.502 2.776 1.00 0.10 H new ATOM 0 HA2 GLY A 78 113.086 10.682 2.743 1.00 0.10 H new ATOM 0 HA3 GLY A 78 113.050 9.235 1.755 1.00 0.10 H new ATOM 1231 N THR A 79 112.440 11.665 0.422 1.00 0.10 N ATOM 1232 CA THR A 79 111.864 12.466 -0.653 1.00 0.10 C ATOM 1233 C THR A 79 112.421 12.023 -2.001 1.00 0.10 C ATOM 1234 O THR A 79 113.599 11.701 -2.114 1.00 0.10 O ATOM 1235 CB THR A 79 112.179 13.945 -0.424 1.00 0.11 C ATOM 1236 OG1 THR A 79 111.958 14.266 0.942 1.00 0.11 O ATOM 1237 CG2 THR A 79 111.249 14.785 -1.300 1.00 0.12 C ATOM 0 H THR A 79 113.428 11.844 0.603 1.00 0.10 H new ATOM 0 HA THR A 79 110.783 12.323 -0.655 1.00 0.10 H new ATOM 0 HB THR A 79 113.218 14.150 -0.680 1.00 0.11 H new ATOM 0 HG1 THR A 79 112.161 15.213 1.092 1.00 0.11 H new ATOM 0 HG21 THR A 79 111.462 15.843 -1.147 1.00 0.12 H new ATOM 0 HG22 THR A 79 111.408 14.531 -2.348 1.00 0.12 H new ATOM 0 HG23 THR A 79 110.213 14.581 -1.030 1.00 0.12 H new ATOM 1245 N ILE A 80 111.570 12.008 -3.023 1.00 0.10 N ATOM 1246 CA ILE A 80 111.992 11.591 -4.359 1.00 0.11 C ATOM 1247 C ILE A 80 112.003 12.789 -5.299 1.00 0.12 C ATOM 1248 O ILE A 80 111.092 13.618 -5.268 1.00 0.14 O ATOM 1249 CB ILE A 80 111.051 10.504 -4.892 1.00 0.11 C ATOM 1250 CG1 ILE A 80 109.599 11.000 -4.877 1.00 0.13 C ATOM 1251 CG2 ILE A 80 111.174 9.264 -4.006 1.00 0.11 C ATOM 1252 CD1 ILE A 80 108.696 9.988 -5.585 1.00 0.11 C ATOM 0 H ILE A 80 110.589 12.278 -2.954 1.00 0.10 H new ATOM 0 HA ILE A 80 113.001 11.182 -4.302 1.00 0.11 H new ATOM 0 HB ILE A 80 111.327 10.262 -5.918 1.00 0.11 H new ATOM 0 HG12 ILE A 80 109.265 11.142 -3.849 1.00 0.13 H new ATOM 0 HG13 ILE A 80 109.531 11.969 -5.371 1.00 0.13 H new ATOM 0 HG21 ILE A 80 110.508 8.484 -4.377 1.00 0.11 H new ATOM 0 HG22 ILE A 80 112.202 8.903 -4.026 1.00 0.11 H new ATOM 0 HG23 ILE A 80 110.899 9.519 -2.983 1.00 0.11 H new ATOM 0 HD11 ILE A 80 107.667 10.346 -5.571 1.00 0.11 H new ATOM 0 HD12 ILE A 80 109.024 9.868 -6.617 1.00 0.11 H new ATOM 0 HD13 ILE A 80 108.753 9.028 -5.072 1.00 0.11 H new ATOM 1264 N GLU A 81 113.045 12.887 -6.122 1.00 0.12 N ATOM 1265 CA GLU A 81 113.172 14.031 -7.018 1.00 0.14 C ATOM 1266 C GLU A 81 113.866 13.663 -8.324 1.00 0.10 C ATOM 1267 O GLU A 81 114.773 12.830 -8.357 1.00 0.10 O ATOM 1268 CB GLU A 81 113.952 15.148 -6.321 1.00 0.19 C ATOM 1269 CG GLU A 81 113.924 16.416 -7.184 1.00 1.31 C ATOM 1270 CD GLU A 81 114.762 17.544 -6.572 1.00 1.35 C ATOM 1271 OE1 GLU A 81 115.369 17.343 -5.529 1.00 0.75 O ATOM 1272 OE2 GLU A 81 114.786 18.610 -7.166 1.00 2.18 O ATOM 0 H GLU A 81 113.799 12.203 -6.187 1.00 0.12 H new ATOM 0 HA GLU A 81 112.165 14.370 -7.262 1.00 0.14 H new ATOM 0 HB2 GLU A 81 113.517 15.353 -5.343 1.00 0.19 H new ATOM 0 HB3 GLU A 81 114.982 14.834 -6.152 1.00 0.19 H new ATOM 0 HG2 GLU A 81 114.300 16.185 -8.181 1.00 1.31 H new ATOM 0 HG3 GLU A 81 112.894 16.752 -7.302 1.00 1.31 H new ATOM 1279 N CYS A 82 113.403 14.288 -9.402 1.00 0.13 N ATOM 1280 CA CYS A 82 114.057 14.172 -10.699 1.00 0.15 C ATOM 1281 C CYS A 82 114.803 15.467 -11.011 1.00 0.19 C ATOM 1282 O CYS A 82 114.197 16.535 -11.090 1.00 0.19 O ATOM 1283 CB CYS A 82 113.015 13.905 -11.789 1.00 0.22 C ATOM 1284 SG CYS A 82 112.463 12.184 -11.691 1.00 0.20 S ATOM 0 H CYS A 82 112.574 14.882 -9.402 1.00 0.13 H new ATOM 0 HA CYS A 82 114.763 13.342 -10.670 1.00 0.15 H new ATOM 0 HB2 CYS A 82 112.166 14.578 -11.667 1.00 0.22 H new ATOM 0 HB3 CYS A 82 113.442 14.105 -12.772 1.00 0.22 H new ATOM 1289 N LEU A 83 116.116 15.368 -11.187 1.00 0.26 N ATOM 1290 CA LEU A 83 116.933 16.552 -11.430 1.00 0.38 C ATOM 1291 C LEU A 83 116.879 16.965 -12.904 1.00 0.47 C ATOM 1292 O LEU A 83 116.598 16.130 -13.761 1.00 0.49 O ATOM 1293 CB LEU A 83 118.385 16.276 -11.033 1.00 0.50 C ATOM 1294 CG LEU A 83 118.456 15.951 -9.541 1.00 0.53 C ATOM 1295 CD1 LEU A 83 119.816 15.329 -9.218 1.00 0.61 C ATOM 1296 CD2 LEU A 83 118.281 17.238 -8.730 1.00 0.75 C ATOM 0 H LEU A 83 116.634 14.489 -11.166 1.00 0.26 H new ATOM 0 HA LEU A 83 116.534 17.366 -10.825 1.00 0.38 H new ATOM 0 HB2 LEU A 83 118.780 15.444 -11.616 1.00 0.50 H new ATOM 0 HB3 LEU A 83 119.005 17.144 -11.256 1.00 0.50 H new ATOM 0 HG LEU A 83 117.664 15.248 -9.285 1.00 0.53 H new ATOM 0 HD11 LEU A 83 119.867 15.097 -8.154 1.00 0.61 H new ATOM 0 HD12 LEU A 83 119.944 14.413 -9.795 1.00 0.61 H new ATOM 0 HD13 LEU A 83 120.608 16.033 -9.474 1.00 0.61 H new ATOM 0 HD21 LEU A 83 118.331 17.007 -7.666 1.00 0.75 H new ATOM 0 HD22 LEU A 83 119.074 17.941 -8.987 1.00 0.75 H new ATOM 0 HD23 LEU A 83 117.313 17.684 -8.959 1.00 0.75 H new ATOM 1308 N PRO A 84 117.145 18.214 -13.227 1.00 0.55 N ATOM 1309 CA PRO A 84 117.169 18.664 -14.657 1.00 0.66 C ATOM 1310 C PRO A 84 118.025 17.768 -15.558 1.00 0.79 C ATOM 1311 O PRO A 84 117.866 17.775 -16.778 1.00 0.91 O ATOM 1312 CB PRO A 84 117.751 20.077 -14.597 1.00 0.75 C ATOM 1313 CG PRO A 84 117.442 20.572 -13.226 1.00 0.85 C ATOM 1314 CD PRO A 84 117.431 19.345 -12.317 1.00 0.59 C ATOM 0 HA PRO A 84 116.172 18.622 -15.094 1.00 0.66 H new ATOM 0 HB2 PRO A 84 118.826 20.068 -14.779 1.00 0.75 H new ATOM 0 HB3 PRO A 84 117.305 20.719 -15.357 1.00 0.75 H new ATOM 0 HG2 PRO A 84 118.190 21.293 -12.896 1.00 0.85 H new ATOM 0 HG3 PRO A 84 116.478 21.080 -13.205 1.00 0.85 H new ATOM 0 HD2 PRO A 84 118.388 19.216 -11.812 1.00 0.59 H new ATOM 0 HD3 PRO A 84 116.671 19.432 -11.541 1.00 0.59 H new ATOM 1322 N SER A 85 118.932 17.000 -14.957 1.00 0.77 N ATOM 1323 CA SER A 85 119.819 16.116 -15.716 1.00 0.88 C ATOM 1324 C SER A 85 119.147 14.802 -16.147 1.00 0.82 C ATOM 1325 O SER A 85 119.812 13.935 -16.713 1.00 0.89 O ATOM 1326 CB SER A 85 121.055 15.792 -14.876 1.00 0.90 C ATOM 1327 OG SER A 85 121.790 16.988 -14.648 1.00 1.65 O ATOM 0 H SER A 85 119.073 16.971 -13.947 1.00 0.77 H new ATOM 0 HA SER A 85 120.090 16.651 -16.626 1.00 0.88 H new ATOM 0 HB2 SER A 85 120.758 15.347 -13.927 1.00 0.90 H new ATOM 0 HB3 SER A 85 121.678 15.060 -15.390 1.00 0.90 H new ATOM 0 HG SER A 85 122.583 16.787 -14.108 1.00 1.65 H new ATOM 1333 N ASP A 86 117.856 14.640 -15.851 1.00 0.71 N ATOM 1334 CA ASP A 86 117.131 13.402 -16.126 1.00 0.71 C ATOM 1335 C ASP A 86 117.719 12.239 -15.329 1.00 0.60 C ATOM 1336 O ASP A 86 117.807 11.114 -15.818 1.00 0.76 O ATOM 1337 CB ASP A 86 117.145 13.081 -17.626 1.00 0.94 C ATOM 1338 CG ASP A 86 116.481 14.205 -18.417 1.00 1.50 C ATOM 1339 OD1 ASP A 86 115.570 14.825 -17.890 1.00 2.05 O ATOM 1340 OD2 ASP A 86 116.892 14.431 -19.543 1.00 1.97 O ATOM 0 H ASP A 86 117.286 15.364 -15.414 1.00 0.71 H new ATOM 0 HA ASP A 86 116.096 13.545 -15.815 1.00 0.71 H new ATOM 0 HB2 ASP A 86 118.172 12.946 -17.966 1.00 0.94 H new ATOM 0 HB3 ASP A 86 116.623 12.142 -17.808 1.00 0.94 H new ATOM 1345 N ASN A 87 118.091 12.520 -14.083 1.00 0.38 N ATOM 1346 CA ASN A 87 118.564 11.487 -13.168 1.00 0.26 C ATOM 1347 C ASN A 87 117.586 11.359 -12.008 1.00 0.22 C ATOM 1348 O ASN A 87 117.240 12.354 -11.371 1.00 0.19 O ATOM 1349 CB ASN A 87 119.950 11.857 -12.633 1.00 0.30 C ATOM 1350 CG ASN A 87 120.942 11.968 -13.786 1.00 1.08 C ATOM 1351 OD1 ASN A 87 120.883 11.186 -14.734 1.00 1.94 O ATOM 1352 ND2 ASN A 87 121.856 12.898 -13.760 1.00 1.62 N ATOM 0 H ASN A 87 118.074 13.458 -13.683 1.00 0.38 H new ATOM 0 HA ASN A 87 118.631 10.537 -13.699 1.00 0.26 H new ATOM 0 HB2 ASN A 87 119.900 12.803 -12.093 1.00 0.30 H new ATOM 0 HB3 ASN A 87 120.288 11.102 -11.923 1.00 0.30 H new ATOM 0 HD21 ASN A 87 122.524 12.978 -14.527 1.00 1.62 H new ATOM 0 HD22 ASN A 87 121.903 13.545 -12.973 1.00 1.62 H new ATOM 1359 N ALA A 88 117.123 10.139 -11.754 1.00 0.22 N ATOM 1360 CA ALA A 88 116.182 9.907 -10.665 1.00 0.20 C ATOM 1361 C ALA A 88 116.929 9.474 -9.411 1.00 0.14 C ATOM 1362 O ALA A 88 117.621 8.454 -9.414 1.00 0.12 O ATOM 1363 CB ALA A 88 115.178 8.824 -11.060 1.00 0.25 C ATOM 0 H ALA A 88 117.381 9.305 -12.281 1.00 0.22 H new ATOM 0 HA ALA A 88 115.648 10.836 -10.463 1.00 0.20 H new ATOM 0 HB1 ALA A 88 114.480 8.658 -10.240 1.00 0.25 H new ATOM 0 HB2 ALA A 88 114.628 9.143 -11.946 1.00 0.25 H new ATOM 0 HB3 ALA A 88 115.709 7.897 -11.277 1.00 0.25 H new ATOM 1369 N VAL A 89 116.777 10.240 -8.332 1.00 0.12 N ATOM 1370 CA VAL A 89 117.471 9.932 -7.084 1.00 0.09 C ATOM 1371 C VAL A 89 116.520 9.987 -5.889 1.00 0.10 C ATOM 1372 O VAL A 89 115.481 10.649 -5.924 1.00 0.11 O ATOM 1373 CB VAL A 89 118.616 10.923 -6.860 1.00 0.09 C ATOM 1374 CG1 VAL A 89 119.638 10.793 -7.990 1.00 0.10 C ATOM 1375 CG2 VAL A 89 118.064 12.351 -6.838 1.00 0.11 C ATOM 0 H VAL A 89 116.186 11.070 -8.296 1.00 0.12 H new ATOM 0 HA VAL A 89 117.867 8.920 -7.168 1.00 0.09 H new ATOM 0 HB VAL A 89 119.098 10.704 -5.907 1.00 0.09 H new ATOM 0 HG11 VAL A 89 120.452 11.500 -7.828 1.00 0.10 H new ATOM 0 HG12 VAL A 89 120.036 9.778 -8.006 1.00 0.10 H new ATOM 0 HG13 VAL A 89 119.156 11.008 -8.943 1.00 0.10 H new ATOM 0 HG21 VAL A 89 118.881 13.055 -6.678 1.00 0.11 H new ATOM 0 HG22 VAL A 89 117.579 12.568 -7.790 1.00 0.11 H new ATOM 0 HG23 VAL A 89 117.339 12.448 -6.030 1.00 0.11 H new ATOM 1385 N PHE A 90 116.913 9.285 -4.831 1.00 0.10 N ATOM 1386 CA PHE A 90 116.154 9.235 -3.586 1.00 0.10 C ATOM 1387 C PHE A 90 116.947 9.903 -2.466 1.00 0.10 C ATOM 1388 O PHE A 90 118.105 9.571 -2.239 1.00 0.11 O ATOM 1389 CB PHE A 90 115.893 7.767 -3.230 1.00 0.10 C ATOM 1390 CG PHE A 90 115.191 7.551 -1.908 1.00 0.10 C ATOM 1391 CD1 PHE A 90 113.818 7.793 -1.791 1.00 0.09 C ATOM 1392 CD2 PHE A 90 115.916 7.089 -0.803 1.00 0.11 C ATOM 1393 CE1 PHE A 90 113.169 7.574 -0.569 1.00 0.09 C ATOM 1394 CE2 PHE A 90 115.268 6.870 0.418 1.00 0.11 C ATOM 1395 CZ PHE A 90 113.895 7.111 0.534 1.00 0.10 C ATOM 0 H PHE A 90 117.770 8.733 -4.813 1.00 0.10 H new ATOM 0 HA PHE A 90 115.208 9.763 -3.709 1.00 0.10 H new ATOM 0 HB2 PHE A 90 115.294 7.317 -4.021 1.00 0.10 H new ATOM 0 HB3 PHE A 90 116.845 7.237 -3.211 1.00 0.10 H new ATOM 0 HD1 PHE A 90 113.258 8.149 -2.643 1.00 0.09 H new ATOM 0 HD2 PHE A 90 116.976 6.902 -0.893 1.00 0.11 H new ATOM 0 HE1 PHE A 90 112.109 7.762 -0.478 1.00 0.09 H new ATOM 0 HE2 PHE A 90 115.828 6.515 1.271 1.00 0.11 H new ATOM 0 HZ PHE A 90 113.395 6.940 1.476 1.00 0.10 H new ATOM 1405 N VAL A 91 116.321 10.845 -1.772 1.00 0.10 N ATOM 1406 CA VAL A 91 116.982 11.554 -0.676 1.00 0.11 C ATOM 1407 C VAL A 91 116.386 11.100 0.650 1.00 0.10 C ATOM 1408 O VAL A 91 115.168 11.095 0.814 1.00 0.11 O ATOM 1409 CB VAL A 91 116.782 13.069 -0.842 1.00 0.12 C ATOM 1410 CG1 VAL A 91 117.457 13.857 0.300 1.00 0.13 C ATOM 1411 CG2 VAL A 91 117.350 13.507 -2.199 1.00 0.13 C ATOM 0 H VAL A 91 115.359 11.137 -1.945 1.00 0.10 H new ATOM 0 HA VAL A 91 118.049 11.332 -0.691 1.00 0.11 H new ATOM 0 HB VAL A 91 115.714 13.285 -0.801 1.00 0.12 H new ATOM 0 HG11 VAL A 91 117.295 14.925 0.150 1.00 0.13 H new ATOM 0 HG12 VAL A 91 117.026 13.555 1.255 1.00 0.13 H new ATOM 0 HG13 VAL A 91 118.527 13.649 0.303 1.00 0.13 H new ATOM 0 HG21 VAL A 91 117.211 14.581 -2.322 1.00 0.13 H new ATOM 0 HG22 VAL A 91 118.413 13.272 -2.241 1.00 0.13 H new ATOM 0 HG23 VAL A 91 116.830 12.980 -2.999 1.00 0.13 H new ATOM 1421 N ALA A 92 117.244 10.741 1.600 1.00 0.10 N ATOM 1422 CA ALA A 92 116.766 10.323 2.917 1.00 0.11 C ATOM 1423 C ALA A 92 116.898 11.467 3.927 1.00 0.12 C ATOM 1424 O ALA A 92 117.737 12.345 3.743 1.00 0.13 O ATOM 1425 CB ALA A 92 117.568 9.116 3.405 1.00 0.10 C ATOM 0 H ALA A 92 118.258 10.730 1.488 1.00 0.10 H new ATOM 0 HA ALA A 92 115.714 10.050 2.830 1.00 0.11 H new ATOM 0 HB1 ALA A 92 117.206 8.811 4.387 1.00 0.10 H new ATOM 0 HB2 ALA A 92 117.449 8.292 2.702 1.00 0.10 H new ATOM 0 HB3 ALA A 92 118.622 9.384 3.475 1.00 0.10 H new ATOM 1431 N PRO A 93 116.104 11.489 4.980 1.00 0.13 N ATOM 1432 CA PRO A 93 116.194 12.576 6.005 1.00 0.15 C ATOM 1433 C PRO A 93 117.621 12.839 6.480 1.00 0.16 C ATOM 1434 O PRO A 93 117.944 13.946 6.911 1.00 0.18 O ATOM 1435 CB PRO A 93 115.334 12.076 7.168 1.00 0.15 C ATOM 1436 CG PRO A 93 114.370 11.112 6.572 1.00 0.14 C ATOM 1437 CD PRO A 93 115.026 10.536 5.318 1.00 0.12 C ATOM 0 HA PRO A 93 115.857 13.525 5.589 1.00 0.15 H new ATOM 0 HB2 PRO A 93 115.948 11.595 7.930 1.00 0.15 H new ATOM 0 HB3 PRO A 93 114.813 12.902 7.653 1.00 0.15 H new ATOM 0 HG2 PRO A 93 114.131 10.319 7.280 1.00 0.14 H new ATOM 0 HG3 PRO A 93 113.433 11.609 6.322 1.00 0.14 H new ATOM 0 HD2 PRO A 93 115.424 9.539 5.503 1.00 0.12 H new ATOM 0 HD3 PRO A 93 114.308 10.446 4.503 1.00 0.12 H new ATOM 1445 N ASP A 94 118.471 11.822 6.400 1.00 0.15 N ATOM 1446 CA ASP A 94 119.851 11.956 6.863 1.00 0.16 C ATOM 1447 C ASP A 94 120.654 12.986 6.053 1.00 0.16 C ATOM 1448 O ASP A 94 121.745 13.380 6.468 1.00 0.18 O ATOM 1449 CB ASP A 94 120.543 10.585 6.809 1.00 0.15 C ATOM 1450 CG ASP A 94 120.442 9.946 5.418 1.00 0.13 C ATOM 1451 OD1 ASP A 94 120.042 10.622 4.486 1.00 0.12 O ATOM 1452 OD2 ASP A 94 120.778 8.777 5.301 1.00 0.12 O ATOM 0 H ASP A 94 118.235 10.904 6.023 1.00 0.15 H new ATOM 0 HA ASP A 94 119.817 12.322 7.889 1.00 0.16 H new ATOM 0 HB2 ASP A 94 121.592 10.697 7.081 1.00 0.15 H new ATOM 0 HB3 ASP A 94 120.092 9.922 7.547 1.00 0.15 H new ATOM 1457 N GLY A 95 120.129 13.426 4.909 1.00 0.15 N ATOM 1458 CA GLY A 95 120.851 14.360 4.040 1.00 0.16 C ATOM 1459 C GLY A 95 121.738 13.651 3.006 1.00 0.15 C ATOM 1460 O GLY A 95 122.547 14.295 2.337 1.00 0.16 O ATOM 0 H GLY A 95 119.210 13.153 4.562 1.00 0.15 H new ATOM 0 HA2 GLY A 95 120.133 14.994 3.521 1.00 0.16 H new ATOM 0 HA3 GLY A 95 121.470 15.015 4.654 1.00 0.16 H new ATOM 1464 N THR A 96 121.589 12.333 2.874 1.00 0.13 N ATOM 1465 CA THR A 96 122.365 11.551 1.926 1.00 0.13 C ATOM 1466 C THR A 96 121.529 11.299 0.682 1.00 0.11 C ATOM 1467 O THR A 96 120.331 11.029 0.781 1.00 0.11 O ATOM 1468 CB THR A 96 122.744 10.212 2.565 1.00 0.13 C ATOM 1469 OG1 THR A 96 123.451 10.450 3.774 1.00 0.14 O ATOM 1470 CG2 THR A 96 123.621 9.396 1.610 1.00 0.13 C ATOM 0 H THR A 96 120.927 11.783 3.422 1.00 0.13 H new ATOM 0 HA THR A 96 123.270 12.094 1.654 1.00 0.13 H new ATOM 0 HB THR A 96 121.835 9.649 2.775 1.00 0.13 H new ATOM 0 HG1 THR A 96 123.693 9.594 4.185 1.00 0.14 H new ATOM 0 HG21 THR A 96 123.883 8.447 2.078 1.00 0.13 H new ATOM 0 HG22 THR A 96 123.074 9.207 0.686 1.00 0.13 H new ATOM 0 HG23 THR A 96 124.531 9.953 1.386 1.00 0.13 H new ATOM 1478 N THR A 97 122.157 11.391 -0.484 1.00 0.11 N ATOM 1479 CA THR A 97 121.454 11.130 -1.734 1.00 0.11 C ATOM 1480 C THR A 97 121.862 9.771 -2.289 1.00 0.10 C ATOM 1481 O THR A 97 123.046 9.451 -2.390 1.00 0.11 O ATOM 1482 CB THR A 97 121.780 12.222 -2.755 1.00 0.12 C ATOM 1483 OG1 THR A 97 121.497 13.495 -2.191 1.00 0.14 O ATOM 1484 CG2 THR A 97 120.933 12.020 -4.012 1.00 0.12 C ATOM 0 H THR A 97 123.140 11.641 -0.590 1.00 0.11 H new ATOM 0 HA THR A 97 120.381 11.129 -1.540 1.00 0.11 H new ATOM 0 HB THR A 97 122.836 12.167 -3.020 1.00 0.12 H new ATOM 0 HG1 THR A 97 121.707 14.196 -2.843 1.00 0.14 H new ATOM 0 HG21 THR A 97 121.167 12.799 -4.738 1.00 0.12 H new ATOM 0 HG22 THR A 97 121.151 11.044 -4.445 1.00 0.12 H new ATOM 0 HG23 THR A 97 119.876 12.073 -3.751 1.00 0.12 H new ATOM 1492 N TYR A 98 120.859 8.982 -2.646 1.00 0.09 N ATOM 1493 CA TYR A 98 121.074 7.656 -3.207 1.00 0.09 C ATOM 1494 C TYR A 98 120.531 7.626 -4.633 1.00 0.08 C ATOM 1495 O TYR A 98 119.551 8.302 -4.934 1.00 0.08 O ATOM 1496 CB TYR A 98 120.337 6.618 -2.358 1.00 0.09 C ATOM 1497 CG TYR A 98 120.741 6.608 -0.899 1.00 0.09 C ATOM 1498 CD1 TYR A 98 121.852 5.864 -0.479 1.00 0.11 C ATOM 1499 CD2 TYR A 98 120.001 7.341 0.039 1.00 0.10 C ATOM 1500 CE1 TYR A 98 122.219 5.854 0.873 1.00 0.12 C ATOM 1501 CE2 TYR A 98 120.370 7.331 1.390 1.00 0.11 C ATOM 1502 CZ TYR A 98 121.479 6.588 1.809 1.00 0.12 C ATOM 1503 OH TYR A 98 121.844 6.576 3.143 1.00 0.14 O ATOM 0 H TYR A 98 119.877 9.242 -2.555 1.00 0.09 H new ATOM 0 HA TYR A 98 122.139 7.426 -3.213 1.00 0.09 H new ATOM 0 HB2 TYR A 98 119.265 6.805 -2.425 1.00 0.09 H new ATOM 0 HB3 TYR A 98 120.515 5.628 -2.779 1.00 0.09 H new ATOM 0 HD1 TYR A 98 122.426 5.298 -1.198 1.00 0.11 H new ATOM 0 HD2 TYR A 98 119.144 7.915 -0.281 1.00 0.10 H new ATOM 0 HE1 TYR A 98 123.075 5.279 1.195 1.00 0.12 H new ATOM 0 HE2 TYR A 98 119.798 7.898 2.109 1.00 0.11 H new ATOM 0 HH TYR A 98 121.416 7.326 3.606 1.00 0.14 H new ATOM 1513 N ALA A 99 121.158 6.846 -5.503 1.00 0.09 N ATOM 1514 CA ALA A 99 120.733 6.781 -6.898 1.00 0.10 C ATOM 1515 C ALA A 99 119.642 5.730 -7.083 1.00 0.10 C ATOM 1516 O ALA A 99 119.815 4.570 -6.704 1.00 0.12 O ATOM 1517 CB ALA A 99 121.935 6.441 -7.785 1.00 0.13 C ATOM 0 H ALA A 99 121.956 6.254 -5.272 1.00 0.09 H new ATOM 0 HA ALA A 99 120.329 7.752 -7.184 1.00 0.10 H new ATOM 0 HB1 ALA A 99 121.617 6.393 -8.826 1.00 0.13 H new ATOM 0 HB2 ALA A 99 122.698 7.211 -7.674 1.00 0.13 H new ATOM 0 HB3 ALA A 99 122.346 5.477 -7.486 1.00 0.13 H new ATOM 1523 N LEU A 100 118.519 6.141 -7.666 1.00 0.08 N ATOM 1524 CA LEU A 100 117.410 5.222 -7.896 1.00 0.10 C ATOM 1525 C LEU A 100 117.593 4.479 -9.212 1.00 0.14 C ATOM 1526 O LEU A 100 117.507 3.252 -9.259 1.00 0.18 O ATOM 1527 CB LEU A 100 116.081 5.980 -7.951 1.00 0.10 C ATOM 1528 CG LEU A 100 115.645 6.406 -6.550 1.00 0.11 C ATOM 1529 CD1 LEU A 100 114.549 7.465 -6.680 1.00 0.13 C ATOM 1530 CD2 LEU A 100 115.085 5.194 -5.803 1.00 0.16 C ATOM 0 H LEU A 100 118.354 7.096 -7.985 1.00 0.08 H new ATOM 0 HA LEU A 100 117.396 4.512 -7.069 1.00 0.10 H new ATOM 0 HB2 LEU A 100 116.183 6.858 -8.588 1.00 0.10 H new ATOM 0 HB3 LEU A 100 115.314 5.348 -8.400 1.00 0.10 H new ATOM 0 HG LEU A 100 116.496 6.810 -6.002 1.00 0.11 H new ATOM 0 HD11 LEU A 100 114.227 7.779 -5.687 1.00 0.13 H new ATOM 0 HD12 LEU A 100 114.937 8.325 -7.225 1.00 0.13 H new ATOM 0 HD13 LEU A 100 113.700 7.046 -7.221 1.00 0.13 H new ATOM 0 HD21 LEU A 100 114.773 5.495 -4.803 1.00 0.16 H new ATOM 0 HD22 LEU A 100 114.228 4.796 -6.346 1.00 0.16 H new ATOM 0 HD23 LEU A 100 115.855 4.426 -5.727 1.00 0.16 H new ATOM 1542 N ASN A 101 117.846 5.232 -10.281 1.00 0.17 N ATOM 1543 CA ASN A 101 117.915 4.638 -11.618 1.00 0.23 C ATOM 1544 C ASN A 101 119.357 4.477 -12.100 1.00 0.22 C ATOM 1545 O ASN A 101 120.294 5.039 -11.533 1.00 0.18 O ATOM 1546 CB ASN A 101 117.091 5.470 -12.612 1.00 0.28 C ATOM 1547 CG ASN A 101 117.743 6.818 -12.906 1.00 0.27 C ATOM 1548 OD1 ASN A 101 118.799 7.139 -12.363 1.00 0.22 O ATOM 1549 ND2 ASN A 101 117.172 7.633 -13.750 1.00 0.33 N ATOM 0 H ASN A 101 118.005 6.239 -10.252 1.00 0.17 H new ATOM 0 HA ASN A 101 117.488 3.637 -11.559 1.00 0.23 H new ATOM 0 HB2 ASN A 101 116.974 4.913 -13.542 1.00 0.28 H new ATOM 0 HB3 ASN A 101 116.091 5.631 -12.209 1.00 0.28 H new ATOM 0 HD21 ASN A 101 117.601 8.534 -13.958 1.00 0.33 H new ATOM 0 HD22 ASN A 101 116.296 7.369 -14.201 1.00 0.33 H new ATOM 1556 N ASP A 102 119.518 3.701 -13.168 1.00 0.28 N ATOM 1557 CA ASP A 102 120.844 3.326 -13.646 1.00 0.29 C ATOM 1558 C ASP A 102 121.729 4.541 -13.903 1.00 0.26 C ATOM 1559 O ASP A 102 122.912 4.526 -13.570 1.00 0.27 O ATOM 1560 CB ASP A 102 120.714 2.513 -14.936 1.00 0.36 C ATOM 1561 CG ASP A 102 122.072 1.947 -15.345 1.00 1.32 C ATOM 1562 OD1 ASP A 102 122.860 1.641 -14.464 1.00 1.89 O ATOM 1563 OD2 ASP A 102 122.301 1.820 -16.537 1.00 2.20 O ATOM 0 H ASP A 102 118.748 3.320 -13.718 1.00 0.28 H new ATOM 0 HA ASP A 102 121.316 2.729 -12.865 1.00 0.29 H new ATOM 0 HB2 ASP A 102 120.002 1.700 -14.791 1.00 0.36 H new ATOM 0 HB3 ASP A 102 120.320 3.144 -15.733 1.00 0.36 H new ATOM 1568 N ARG A 103 121.163 5.594 -14.486 1.00 0.29 N ATOM 1569 CA ARG A 103 121.963 6.755 -14.866 1.00 0.32 C ATOM 1570 C ARG A 103 122.569 7.439 -13.642 1.00 0.26 C ATOM 1571 O ARG A 103 123.748 7.795 -13.645 1.00 0.28 O ATOM 1572 CB ARG A 103 121.109 7.735 -15.673 1.00 0.43 C ATOM 1573 CG ARG A 103 120.758 7.085 -17.015 1.00 0.56 C ATOM 1574 CD ARG A 103 120.002 8.080 -17.897 1.00 0.81 C ATOM 1575 NE ARG A 103 118.785 8.530 -17.220 1.00 0.40 N ATOM 1576 CZ ARG A 103 117.693 7.766 -17.077 1.00 1.40 C ATOM 1577 NH1 ARG A 103 117.629 6.539 -17.535 1.00 1.66 N ATOM 1578 NH2 ARG A 103 116.663 8.271 -16.458 1.00 2.22 N ATOM 0 H ARG A 103 120.169 5.668 -14.703 1.00 0.29 H new ATOM 0 HA ARG A 103 122.790 6.413 -15.489 1.00 0.32 H new ATOM 0 HB2 ARG A 103 120.201 7.986 -15.125 1.00 0.43 H new ATOM 0 HB3 ARG A 103 121.652 8.666 -15.834 1.00 0.43 H new ATOM 0 HG2 ARG A 103 121.668 6.758 -17.519 1.00 0.56 H new ATOM 0 HG3 ARG A 103 120.148 6.197 -16.850 1.00 0.56 H new ATOM 0 HD2 ARG A 103 120.639 8.935 -18.122 1.00 0.81 H new ATOM 0 HD3 ARG A 103 119.747 7.613 -18.848 1.00 0.81 H new ATOM 0 HE ARG A 103 118.767 9.475 -16.837 1.00 0.40 H new ATOM 0 HH11 ARG A 103 118.429 6.133 -18.021 1.00 1.66 H new ATOM 0 HH12 ARG A 103 116.779 5.990 -17.406 1.00 1.66 H new ATOM 0 HH21 ARG A 103 116.702 9.224 -16.097 1.00 2.22 H new ATOM 0 HH22 ARG A 103 115.818 7.713 -16.334 1.00 2.22 H new ATOM 1592 N ALA A 104 121.780 7.588 -12.582 1.00 0.22 N ATOM 1593 CA ALA A 104 122.293 8.164 -11.341 1.00 0.19 C ATOM 1594 C ALA A 104 123.451 7.329 -10.789 1.00 0.20 C ATOM 1595 O ALA A 104 124.408 7.868 -10.225 1.00 0.22 O ATOM 1596 CB ALA A 104 121.170 8.246 -10.305 1.00 0.18 C ATOM 0 H ALA A 104 120.796 7.322 -12.555 1.00 0.22 H new ATOM 0 HA ALA A 104 122.665 9.166 -11.554 1.00 0.19 H new ATOM 0 HB1 ALA A 104 121.558 8.676 -9.382 1.00 0.18 H new ATOM 0 HB2 ALA A 104 120.366 8.874 -10.689 1.00 0.18 H new ATOM 0 HB3 ALA A 104 120.785 7.246 -10.106 1.00 0.18 H new ATOM 1602 N GLU A 105 123.352 6.008 -10.927 1.00 0.22 N ATOM 1603 CA GLU A 105 124.443 5.129 -10.517 1.00 0.28 C ATOM 1604 C GLU A 105 125.689 5.400 -11.357 1.00 0.34 C ATOM 1605 O GLU A 105 126.801 5.452 -10.836 1.00 0.40 O ATOM 1606 CB GLU A 105 124.024 3.666 -10.664 1.00 0.31 C ATOM 1607 CG GLU A 105 122.852 3.372 -9.720 1.00 0.99 C ATOM 1608 CD GLU A 105 122.444 1.895 -9.760 1.00 1.40 C ATOM 1609 OE1 GLU A 105 122.914 1.169 -10.624 1.00 1.76 O ATOM 1610 OE2 GLU A 105 121.657 1.508 -8.913 1.00 2.07 O ATOM 0 H GLU A 105 122.539 5.529 -11.314 1.00 0.22 H new ATOM 0 HA GLU A 105 124.675 5.329 -9.471 1.00 0.28 H new ATOM 0 HB2 GLU A 105 123.735 3.461 -11.695 1.00 0.31 H new ATOM 0 HB3 GLU A 105 124.864 3.011 -10.433 1.00 0.31 H new ATOM 0 HG2 GLU A 105 123.129 3.645 -8.702 1.00 0.99 H new ATOM 0 HG3 GLU A 105 121.999 3.992 -9.996 1.00 0.99 H new ATOM 1617 N LYS A 106 125.498 5.610 -12.655 1.00 0.35 N ATOM 1618 CA LYS A 106 126.611 5.954 -13.540 1.00 0.43 C ATOM 1619 C LYS A 106 127.307 7.239 -13.084 1.00 0.41 C ATOM 1620 O LYS A 106 128.521 7.382 -13.229 1.00 0.45 O ATOM 1621 CB LYS A 106 126.102 6.129 -14.973 1.00 0.51 C ATOM 1622 CG LYS A 106 127.290 6.321 -15.918 1.00 1.17 C ATOM 1623 CD LYS A 106 126.781 6.575 -17.338 1.00 1.44 C ATOM 1624 CE LYS A 106 127.966 6.607 -18.306 1.00 2.18 C ATOM 1625 NZ LYS A 106 128.789 7.821 -18.044 1.00 2.72 N ATOM 0 H LYS A 106 124.591 5.549 -13.118 1.00 0.35 H new ATOM 0 HA LYS A 106 127.335 5.140 -13.502 1.00 0.43 H new ATOM 0 HB2 LYS A 106 125.522 5.256 -15.273 1.00 0.51 H new ATOM 0 HB3 LYS A 106 125.435 6.989 -15.031 1.00 0.51 H new ATOM 0 HG2 LYS A 106 127.901 7.160 -15.584 1.00 1.17 H new ATOM 0 HG3 LYS A 106 127.927 5.437 -15.902 1.00 1.17 H new ATOM 0 HD2 LYS A 106 126.080 5.793 -17.630 1.00 1.44 H new ATOM 0 HD3 LYS A 106 126.239 7.520 -17.378 1.00 1.44 H new ATOM 0 HE2 LYS A 106 128.573 5.710 -18.184 1.00 2.18 H new ATOM 0 HE3 LYS A 106 127.608 6.612 -19.336 1.00 2.18 H new ATOM 0 HZ1 LYS A 106 129.469 7.954 -18.820 1.00 2.72 H new ATOM 0 HZ2 LYS A 106 128.169 8.654 -17.981 1.00 2.72 H new ATOM 0 HZ3 LYS A 106 129.305 7.704 -17.148 1.00 2.72 H new ATOM 1639 N ALA A 107 126.531 8.169 -12.530 1.00 0.36 N ATOM 1640 CA ALA A 107 127.074 9.425 -12.008 1.00 0.37 C ATOM 1641 C ALA A 107 127.878 9.241 -10.710 1.00 0.39 C ATOM 1642 O ALA A 107 128.385 10.215 -10.157 1.00 0.46 O ATOM 1643 CB ALA A 107 125.931 10.408 -11.752 1.00 0.34 C ATOM 0 H ALA A 107 125.520 8.077 -12.430 1.00 0.36 H new ATOM 0 HA ALA A 107 127.760 9.810 -12.762 1.00 0.37 H new ATOM 0 HB1 ALA A 107 126.335 11.343 -11.363 1.00 0.34 H new ATOM 0 HB2 ALA A 107 125.402 10.602 -12.685 1.00 0.34 H new ATOM 0 HB3 ALA A 107 125.240 9.981 -11.025 1.00 0.34 H new ATOM 1649 N GLY A 108 127.998 8.006 -10.223 1.00 0.39 N ATOM 1650 CA GLY A 108 128.793 7.727 -9.034 1.00 0.44 C ATOM 1651 C GLY A 108 128.071 8.073 -7.732 1.00 0.39 C ATOM 1652 O GLY A 108 128.723 8.309 -6.714 1.00 0.46 O ATOM 0 H GLY A 108 127.554 7.185 -10.635 1.00 0.39 H new ATOM 0 HA2 GLY A 108 129.061 6.670 -9.024 1.00 0.44 H new ATOM 0 HA3 GLY A 108 129.724 8.291 -9.087 1.00 0.44 H new ATOM 1656 N HIS A 109 126.737 8.109 -7.757 1.00 0.28 N ATOM 1657 CA HIS A 109 125.981 8.255 -6.519 1.00 0.26 C ATOM 1658 C HIS A 109 125.792 6.873 -5.886 1.00 0.25 C ATOM 1659 O HIS A 109 125.588 5.903 -6.620 1.00 0.44 O ATOM 1660 CB HIS A 109 124.618 8.887 -6.805 1.00 0.23 C ATOM 1661 CG HIS A 109 124.683 10.373 -7.028 1.00 0.29 C ATOM 1662 ND1 HIS A 109 125.276 11.233 -6.118 1.00 0.44 N ATOM 1663 CD2 HIS A 109 124.233 11.167 -8.055 1.00 0.44 C ATOM 1664 CE1 HIS A 109 125.169 12.480 -6.609 1.00 0.47 C ATOM 1665 NE2 HIS A 109 124.542 12.498 -7.787 1.00 0.45 N ATOM 0 H HIS A 109 126.171 8.040 -8.603 1.00 0.28 H new ATOM 0 HA HIS A 109 126.527 8.903 -5.834 1.00 0.26 H new ATOM 0 HB2 HIS A 109 124.184 8.414 -7.686 1.00 0.23 H new ATOM 0 HB3 HIS A 109 123.948 8.681 -5.970 1.00 0.23 H new ATOM 0 HD2 HIS A 109 123.718 10.813 -8.936 1.00 0.44 H new ATOM 0 HE1 HIS A 109 125.545 13.361 -6.110 1.00 0.47 H new ATOM 0 HE2 HIS A 109 124.334 13.311 -8.366 1.00 0.45 H new ATOM 1673 N PRO A 110 125.844 6.741 -4.576 1.00 0.21 N ATOM 1674 CA PRO A 110 125.726 5.399 -3.928 1.00 0.28 C ATOM 1675 C PRO A 110 124.294 4.865 -4.013 1.00 0.20 C ATOM 1676 O PRO A 110 123.358 5.663 -4.033 1.00 0.12 O ATOM 1677 CB PRO A 110 126.132 5.647 -2.475 1.00 0.40 C ATOM 1678 CG PRO A 110 125.828 7.083 -2.222 1.00 0.73 C ATOM 1679 CD PRO A 110 125.982 7.805 -3.560 1.00 0.41 C ATOM 0 HA PRO A 110 126.349 4.649 -4.415 1.00 0.28 H new ATOM 0 HB2 PRO A 110 125.576 5.001 -1.795 1.00 0.40 H new ATOM 0 HB3 PRO A 110 127.190 5.436 -2.321 1.00 0.40 H new ATOM 0 HG2 PRO A 110 124.817 7.202 -1.832 1.00 0.73 H new ATOM 0 HG3 PRO A 110 126.508 7.498 -1.478 1.00 0.73 H new ATOM 0 HD2 PRO A 110 125.220 8.574 -3.685 1.00 0.41 H new ATOM 0 HD3 PRO A 110 126.950 8.301 -3.634 1.00 0.41 H new ATOM 1687 N PRO A 111 124.085 3.566 -4.089 1.00 0.28 N ATOM 1688 CA PRO A 111 122.702 3.003 -4.159 1.00 0.28 C ATOM 1689 C PRO A 111 122.015 2.980 -2.793 1.00 0.23 C ATOM 1690 O PRO A 111 122.676 3.021 -1.756 1.00 0.24 O ATOM 1691 CB PRO A 111 122.904 1.590 -4.707 1.00 0.39 C ATOM 1692 CG PRO A 111 124.289 1.199 -4.317 1.00 0.45 C ATOM 1693 CD PRO A 111 125.094 2.487 -4.134 1.00 0.42 C ATOM 0 HA PRO A 111 122.047 3.609 -4.785 1.00 0.28 H new ATOM 0 HB2 PRO A 111 122.170 0.900 -4.290 1.00 0.39 H new ATOM 0 HB3 PRO A 111 122.782 1.569 -5.790 1.00 0.39 H new ATOM 0 HG2 PRO A 111 124.278 0.619 -3.394 1.00 0.45 H new ATOM 0 HG3 PRO A 111 124.741 0.570 -5.084 1.00 0.45 H new ATOM 0 HD2 PRO A 111 125.682 2.458 -3.217 1.00 0.42 H new ATOM 0 HD3 PRO A 111 125.794 2.635 -4.956 1.00 0.42 H new ATOM 1701 N ILE A 112 120.685 2.918 -2.804 1.00 0.20 N ATOM 1702 CA ILE A 112 119.915 2.894 -1.559 1.00 0.16 C ATOM 1703 C ILE A 112 120.252 1.672 -0.686 1.00 0.18 C ATOM 1704 O ILE A 112 119.890 1.660 0.489 1.00 0.17 O ATOM 1705 CB ILE A 112 118.406 2.943 -1.876 1.00 0.14 C ATOM 1706 CG1 ILE A 112 118.103 4.248 -2.621 1.00 0.15 C ATOM 1707 CG2 ILE A 112 117.573 2.908 -0.585 1.00 0.16 C ATOM 1708 CD1 ILE A 112 116.660 4.253 -3.137 1.00 0.15 C ATOM 0 H ILE A 112 120.121 2.884 -3.653 1.00 0.20 H new ATOM 0 HA ILE A 112 120.191 3.776 -0.981 1.00 0.16 H new ATOM 0 HB ILE A 112 118.147 2.077 -2.484 1.00 0.14 H new ATOM 0 HG12 ILE A 112 118.260 5.097 -1.956 1.00 0.15 H new ATOM 0 HG13 ILE A 112 118.794 4.365 -3.456 1.00 0.15 H new ATOM 0 HG21 ILE A 112 116.513 2.944 -0.835 1.00 0.16 H new ATOM 0 HG22 ILE A 112 117.786 1.989 -0.039 1.00 0.16 H new ATOM 0 HG23 ILE A 112 117.828 3.767 0.036 1.00 0.16 H new ATOM 0 HD11 ILE A 112 116.465 5.188 -3.663 1.00 0.15 H new ATOM 0 HD12 ILE A 112 116.515 3.416 -3.819 1.00 0.15 H new ATOM 0 HD13 ILE A 112 115.973 4.159 -2.296 1.00 0.15 H new ATOM 1720 N THR A 113 120.976 0.683 -1.219 1.00 0.21 N ATOM 1721 CA THR A 113 121.202 -0.574 -0.504 1.00 0.24 C ATOM 1722 C THR A 113 121.558 -0.435 0.989 1.00 0.24 C ATOM 1723 O THR A 113 121.026 -1.224 1.773 1.00 0.24 O ATOM 1724 CB THR A 113 122.208 -1.470 -1.253 1.00 0.29 C ATOM 1725 OG1 THR A 113 122.012 -2.816 -0.845 1.00 0.40 O ATOM 1726 CG2 THR A 113 123.671 -1.087 -0.991 1.00 0.33 C ATOM 0 H THR A 113 121.413 0.729 -2.139 1.00 0.21 H new ATOM 0 HA THR A 113 120.229 -1.065 -0.496 1.00 0.24 H new ATOM 0 HB THR A 113 122.024 -1.338 -2.319 1.00 0.29 H new ATOM 0 HG1 THR A 113 122.646 -3.396 -1.316 1.00 0.40 H new ATOM 0 HG21 THR A 113 124.327 -1.756 -1.547 1.00 0.33 H new ATOM 0 HG22 THR A 113 123.842 -0.060 -1.314 1.00 0.33 H new ATOM 0 HG23 THR A 113 123.884 -1.173 0.074 1.00 0.33 H new ATOM 1734 N PRO A 114 122.364 0.517 1.440 1.00 0.24 N ATOM 1735 CA PRO A 114 122.774 0.555 2.884 1.00 0.26 C ATOM 1736 C PRO A 114 121.577 0.665 3.826 1.00 0.23 C ATOM 1737 O PRO A 114 121.609 0.149 4.943 1.00 0.24 O ATOM 1738 CB PRO A 114 123.689 1.778 3.008 1.00 0.28 C ATOM 1739 CG PRO A 114 124.113 2.092 1.615 1.00 0.27 C ATOM 1740 CD PRO A 114 122.945 1.674 0.729 1.00 0.24 C ATOM 0 HA PRO A 114 123.276 -0.368 3.172 1.00 0.26 H new ATOM 0 HB2 PRO A 114 123.163 2.619 3.458 1.00 0.28 H new ATOM 0 HB3 PRO A 114 124.549 1.564 3.642 1.00 0.28 H new ATOM 0 HG2 PRO A 114 124.331 3.154 1.501 1.00 0.27 H new ATOM 0 HG3 PRO A 114 125.021 1.550 1.349 1.00 0.27 H new ATOM 0 HD2 PRO A 114 122.220 2.480 0.616 1.00 0.24 H new ATOM 0 HD3 PRO A 114 123.279 1.402 -0.272 1.00 0.24 H new ATOM 1748 N ILE A 115 120.522 1.338 3.374 1.00 0.21 N ATOM 1749 CA ILE A 115 119.294 1.455 4.167 1.00 0.17 C ATOM 1750 C ILE A 115 118.208 0.455 3.743 1.00 0.15 C ATOM 1751 O ILE A 115 117.119 0.466 4.310 1.00 0.14 O ATOM 1752 CB ILE A 115 118.721 2.877 4.085 1.00 0.16 C ATOM 1753 CG1 ILE A 115 118.570 3.315 2.621 1.00 0.16 C ATOM 1754 CG2 ILE A 115 119.641 3.852 4.824 1.00 0.18 C ATOM 1755 CD1 ILE A 115 117.764 4.617 2.526 1.00 0.15 C ATOM 0 H ILE A 115 120.489 1.809 2.470 1.00 0.21 H new ATOM 0 HA ILE A 115 119.580 1.225 5.193 1.00 0.17 H new ATOM 0 HB ILE A 115 117.737 2.882 4.554 1.00 0.16 H new ATOM 0 HG12 ILE A 115 119.554 3.457 2.175 1.00 0.16 H new ATOM 0 HG13 ILE A 115 118.072 2.531 2.051 1.00 0.16 H new ATOM 0 HG21 ILE A 115 119.229 4.859 4.762 1.00 0.18 H new ATOM 0 HG22 ILE A 115 119.720 3.556 5.870 1.00 0.18 H new ATOM 0 HG23 ILE A 115 120.630 3.836 4.367 1.00 0.18 H new ATOM 0 HD11 ILE A 115 117.668 4.910 1.481 1.00 0.15 H new ATOM 0 HD12 ILE A 115 116.773 4.463 2.952 1.00 0.15 H new ATOM 0 HD13 ILE A 115 118.278 5.404 3.078 1.00 0.15 H new ATOM 1767 N ARG A 116 118.486 -0.402 2.763 1.00 0.17 N ATOM 1768 CA ARG A 116 117.492 -1.355 2.278 1.00 0.17 C ATOM 1769 C ARG A 116 117.396 -2.554 3.218 1.00 0.18 C ATOM 1770 O ARG A 116 118.414 -3.077 3.672 1.00 0.26 O ATOM 1771 CB ARG A 116 117.896 -1.819 0.877 1.00 0.25 C ATOM 1772 CG ARG A 116 116.799 -2.695 0.273 1.00 1.02 C ATOM 1773 CD ARG A 116 117.157 -3.016 -1.180 1.00 1.24 C ATOM 1774 NE ARG A 116 118.331 -3.892 -1.235 1.00 1.81 N ATOM 1775 CZ ARG A 116 118.718 -4.541 -2.344 1.00 2.41 C ATOM 1776 NH1 ARG A 116 118.058 -4.451 -3.474 1.00 2.60 N ATOM 1777 NH2 ARG A 116 119.787 -5.287 -2.296 1.00 3.32 N ATOM 0 H ARG A 116 119.389 -0.456 2.291 1.00 0.17 H new ATOM 0 HA ARG A 116 116.515 -0.872 2.242 1.00 0.17 H new ATOM 0 HB2 ARG A 116 118.074 -0.955 0.237 1.00 0.25 H new ATOM 0 HB3 ARG A 116 118.831 -2.377 0.927 1.00 0.25 H new ATOM 0 HG2 ARG A 116 116.695 -3.616 0.847 1.00 1.02 H new ATOM 0 HG3 ARG A 116 115.839 -2.181 0.319 1.00 1.02 H new ATOM 0 HD2 ARG A 116 116.312 -3.498 -1.671 1.00 1.24 H new ATOM 0 HD3 ARG A 116 117.358 -2.093 -1.724 1.00 1.24 H new ATOM 0 HE ARG A 116 118.883 -4.015 -0.386 1.00 1.81 H new ATOM 0 HH11 ARG A 116 117.220 -3.873 -3.530 1.00 2.60 H new ATOM 0 HH12 ARG A 116 118.383 -4.959 -4.296 1.00 2.60 H new ATOM 0 HH21 ARG A 116 120.313 -5.369 -1.426 1.00 3.32 H new ATOM 0 HH22 ARG A 116 120.097 -5.788 -3.129 1.00 3.32 H new ATOM 1791 N ALA A 117 116.173 -2.988 3.507 1.00 0.16 N ATOM 1792 CA ALA A 117 115.968 -4.102 4.426 1.00 0.19 C ATOM 1793 C ALA A 117 116.252 -5.439 3.750 1.00 0.24 C ATOM 1794 O ALA A 117 115.839 -5.679 2.616 1.00 0.26 O ATOM 1795 CB ALA A 117 114.524 -4.091 4.928 1.00 0.24 C ATOM 0 H ALA A 117 115.316 -2.590 3.122 1.00 0.16 H new ATOM 0 HA ALA A 117 116.660 -3.983 5.260 1.00 0.19 H new ATOM 0 HB1 ALA A 117 114.371 -4.924 5.615 1.00 0.24 H new ATOM 0 HB2 ALA A 117 114.326 -3.153 5.446 1.00 0.24 H new ATOM 0 HB3 ALA A 117 113.844 -4.189 4.082 1.00 0.24 H new ATOM 1801 N LYS A 118 116.957 -6.311 4.463 1.00 0.32 N ATOM 1802 CA LYS A 118 117.217 -7.659 3.969 1.00 0.41 C ATOM 1803 C LYS A 118 116.175 -8.624 4.524 1.00 0.52 C ATOM 1804 O LYS A 118 115.792 -8.528 5.690 1.00 0.68 O ATOM 1805 CB LYS A 118 118.615 -8.114 4.391 1.00 0.59 C ATOM 1806 CG LYS A 118 118.931 -9.462 3.740 1.00 1.38 C ATOM 1807 CD LYS A 118 120.365 -9.873 4.085 1.00 1.48 C ATOM 1808 CE LYS A 118 120.460 -10.188 5.578 1.00 2.09 C ATOM 1809 NZ LYS A 118 121.782 -10.810 5.872 1.00 2.63 N ATOM 0 H LYS A 118 117.357 -6.111 5.380 1.00 0.32 H new ATOM 0 HA LYS A 118 117.159 -7.652 2.881 1.00 0.41 H new ATOM 0 HB2 LYS A 118 119.356 -7.372 4.093 1.00 0.59 H new ATOM 0 HB3 LYS A 118 118.669 -8.201 5.476 1.00 0.59 H new ATOM 0 HG2 LYS A 118 118.230 -10.220 4.090 1.00 1.38 H new ATOM 0 HG3 LYS A 118 118.812 -9.392 2.659 1.00 1.38 H new ATOM 0 HD2 LYS A 118 120.656 -10.745 3.499 1.00 1.48 H new ATOM 0 HD3 LYS A 118 121.057 -9.071 3.827 1.00 1.48 H new ATOM 0 HE2 LYS A 118 120.338 -9.275 6.161 1.00 2.09 H new ATOM 0 HE3 LYS A 118 119.656 -10.863 5.870 1.00 2.09 H new ATOM 0 HZ1 LYS A 118 121.847 -11.024 6.888 1.00 2.63 H new ATOM 0 HZ2 LYS A 118 121.881 -11.689 5.326 1.00 2.63 H new ATOM 0 HZ3 LYS A 118 122.542 -10.151 5.608 1.00 2.63 H new ATOM 1823 N GLY A 119 115.715 -9.552 3.690 1.00 0.59 N ATOM 1824 CA GLY A 119 114.691 -10.501 4.112 1.00 0.80 C ATOM 1825 C GLY A 119 115.297 -11.851 4.474 1.00 0.99 C ATOM 1826 O GLY A 119 116.455 -12.127 4.156 1.00 1.03 O ATOM 0 H GLY A 119 116.032 -9.667 2.727 1.00 0.59 H new ATOM 0 HA2 GLY A 119 114.154 -10.100 4.971 1.00 0.80 H new ATOM 0 HA3 GLY A 119 113.962 -10.631 3.312 1.00 0.80 H new ATOM 1830 N SER A 120 114.510 -12.691 5.138 1.00 1.27 N ATOM 1831 CA SER A 120 114.974 -14.026 5.502 1.00 1.53 C ATOM 1832 C SER A 120 115.394 -14.811 4.260 1.00 1.56 C ATOM 1833 O SER A 120 116.377 -15.551 4.288 1.00 1.76 O ATOM 1834 CB SER A 120 113.864 -14.781 6.233 1.00 1.85 C ATOM 1835 OG SER A 120 113.425 -14.007 7.342 1.00 2.39 O ATOM 0 H SER A 120 113.558 -12.475 5.433 1.00 1.27 H new ATOM 0 HA SER A 120 115.838 -13.922 6.158 1.00 1.53 H new ATOM 0 HB2 SER A 120 113.032 -14.973 5.556 1.00 1.85 H new ATOM 0 HB3 SER A 120 114.229 -15.750 6.572 1.00 1.85 H new ATOM 0 HG SER A 120 112.712 -14.486 7.813 1.00 2.39 H new ATOM 1841 N GLY A 121 114.645 -14.644 3.174 1.00 1.56 N ATOM 1842 CA GLY A 121 114.971 -15.311 1.919 1.00 1.82 C ATOM 1843 C GLY A 121 114.711 -14.385 0.736 1.00 1.73 C ATOM 1844 O GLY A 121 114.053 -13.354 0.877 1.00 1.77 O ATOM 0 H GLY A 121 113.813 -14.056 3.138 1.00 1.56 H new ATOM 0 HA2 GLY A 121 116.017 -15.618 1.925 1.00 1.82 H new ATOM 0 HA3 GLY A 121 114.374 -16.217 1.817 1.00 1.82 H new ATOM 1848 N GLY A 122 115.229 -14.759 -0.428 1.00 1.83 N ATOM 1849 CA GLY A 122 115.043 -13.950 -1.630 1.00 1.91 C ATOM 1850 C GLY A 122 115.921 -12.698 -1.619 1.00 1.56 C ATOM 1851 O GLY A 122 115.544 -11.668 -2.178 1.00 2.24 O ATOM 0 H GLY A 122 115.776 -15.609 -0.567 1.00 1.83 H new ATOM 0 HA2 GLY A 122 115.277 -14.549 -2.510 1.00 1.91 H new ATOM 0 HA3 GLY A 122 113.996 -13.658 -1.712 1.00 1.91 H new ATOM 1855 N GLY A 123 117.088 -12.785 -0.986 1.00 0.96 N ATOM 1856 CA GLY A 123 118.015 -11.660 -0.954 1.00 0.74 C ATOM 1857 C GLY A 123 117.420 -10.464 -0.218 1.00 0.65 C ATOM 1858 O GLY A 123 117.013 -10.563 0.940 1.00 0.73 O ATOM 0 H GLY A 123 117.412 -13.617 -0.492 1.00 0.96 H new ATOM 0 HA2 GLY A 123 118.941 -11.964 -0.466 1.00 0.74 H new ATOM 0 HA3 GLY A 123 118.272 -11.370 -1.973 1.00 0.74 H new ATOM 1862 N TYR A 124 117.371 -9.323 -0.898 1.00 0.56 N ATOM 1863 CA TYR A 124 116.874 -8.092 -0.289 1.00 0.51 C ATOM 1864 C TYR A 124 115.519 -7.707 -0.871 1.00 0.40 C ATOM 1865 O TYR A 124 115.152 -8.137 -1.964 1.00 0.42 O ATOM 1866 CB TYR A 124 117.874 -6.958 -0.514 1.00 0.61 C ATOM 1867 CG TYR A 124 119.093 -7.048 0.374 1.00 0.76 C ATOM 1868 CD1 TYR A 124 119.819 -8.242 0.454 1.00 0.79 C ATOM 1869 CD2 TYR A 124 119.498 -5.933 1.118 1.00 0.92 C ATOM 1870 CE1 TYR A 124 120.949 -8.322 1.277 1.00 0.94 C ATOM 1871 CE2 TYR A 124 120.627 -6.012 1.942 1.00 1.09 C ATOM 1872 CZ TYR A 124 121.353 -7.207 2.022 1.00 1.09 C ATOM 1873 OH TYR A 124 122.466 -7.285 2.833 1.00 1.26 O ATOM 0 H TYR A 124 117.668 -9.224 -1.869 1.00 0.56 H new ATOM 0 HA TYR A 124 116.755 -8.263 0.781 1.00 0.51 H new ATOM 0 HB2 TYR A 124 118.192 -6.965 -1.557 1.00 0.61 H new ATOM 0 HB3 TYR A 124 117.376 -6.004 -0.339 1.00 0.61 H new ATOM 0 HD1 TYR A 124 119.507 -9.102 -0.120 1.00 0.79 H new ATOM 0 HD2 TYR A 124 118.939 -5.011 1.056 1.00 0.92 H new ATOM 0 HE1 TYR A 124 121.509 -9.243 1.337 1.00 0.94 H new ATOM 0 HE2 TYR A 124 120.938 -5.152 2.516 1.00 1.09 H new ATOM 0 HH TYR A 124 122.608 -6.423 3.278 1.00 1.26 H new ATOM 1883 N ILE A 125 114.782 -6.891 -0.125 1.00 0.32 N ATOM 1884 CA ILE A 125 113.442 -6.486 -0.529 1.00 0.27 C ATOM 1885 C ILE A 125 113.526 -5.480 -1.678 1.00 0.20 C ATOM 1886 O ILE A 125 114.234 -4.477 -1.593 1.00 0.18 O ATOM 1887 CB ILE A 125 112.719 -5.899 0.693 1.00 0.27 C ATOM 1888 CG1 ILE A 125 112.564 -6.994 1.760 1.00 0.37 C ATOM 1889 CG2 ILE A 125 111.331 -5.374 0.310 1.00 0.29 C ATOM 1890 CD1 ILE A 125 112.472 -6.366 3.155 1.00 0.39 C ATOM 0 H ILE A 125 115.091 -6.497 0.764 1.00 0.32 H new ATOM 0 HA ILE A 125 112.875 -7.344 -0.891 1.00 0.27 H new ATOM 0 HB ILE A 125 113.310 -5.069 1.080 1.00 0.27 H new ATOM 0 HG12 ILE A 125 111.669 -7.583 1.559 1.00 0.37 H new ATOM 0 HG13 ILE A 125 113.412 -7.677 1.716 1.00 0.37 H new ATOM 0 HG21 ILE A 125 110.841 -4.964 1.193 1.00 0.29 H new ATOM 0 HG22 ILE A 125 111.433 -4.593 -0.444 1.00 0.29 H new ATOM 0 HG23 ILE A 125 110.731 -6.191 -0.092 1.00 0.29 H new ATOM 0 HD11 ILE A 125 112.362 -7.153 3.902 1.00 0.39 H new ATOM 0 HD12 ILE A 125 113.379 -5.797 3.358 1.00 0.39 H new ATOM 0 HD13 ILE A 125 111.609 -5.702 3.199 1.00 0.39 H new ATOM 1902 N SER A 126 112.784 -5.758 -2.747 1.00 0.21 N ATOM 1903 CA SER A 126 112.858 -4.955 -3.963 1.00 0.20 C ATOM 1904 C SER A 126 112.443 -3.509 -3.721 1.00 0.16 C ATOM 1905 O SER A 126 111.481 -3.232 -3.004 1.00 0.17 O ATOM 1906 CB SER A 126 111.952 -5.564 -5.035 1.00 0.25 C ATOM 1907 OG SER A 126 112.361 -6.902 -5.286 1.00 0.29 O ATOM 0 H SER A 126 112.124 -6.534 -2.795 1.00 0.21 H new ATOM 0 HA SER A 126 113.897 -4.956 -4.294 1.00 0.20 H new ATOM 0 HB2 SER A 126 110.913 -5.544 -4.705 1.00 0.25 H new ATOM 0 HB3 SER A 126 112.006 -4.976 -5.951 1.00 0.25 H new ATOM 0 HG SER A 126 111.783 -7.298 -5.971 1.00 0.29 H new ATOM 1913 N LEU A 127 113.189 -2.597 -4.334 1.00 0.16 N ATOM 1914 CA LEU A 127 112.813 -1.182 -4.352 1.00 0.14 C ATOM 1915 C LEU A 127 112.057 -0.800 -5.637 1.00 0.15 C ATOM 1916 O LEU A 127 111.860 0.384 -5.909 1.00 0.15 O ATOM 1917 CB LEU A 127 114.067 -0.305 -4.243 1.00 0.16 C ATOM 1918 CG LEU A 127 114.879 -0.678 -2.998 1.00 0.19 C ATOM 1919 CD1 LEU A 127 116.152 0.170 -2.953 1.00 0.23 C ATOM 1920 CD2 LEU A 127 114.053 -0.405 -1.739 1.00 0.18 C ATOM 0 H LEU A 127 114.057 -2.808 -4.826 1.00 0.16 H new ATOM 0 HA LEU A 127 112.153 -1.016 -3.501 1.00 0.14 H new ATOM 0 HB2 LEU A 127 114.682 -0.427 -5.135 1.00 0.16 H new ATOM 0 HB3 LEU A 127 113.780 0.745 -4.195 1.00 0.16 H new ATOM 0 HG LEU A 127 115.137 -1.736 -3.041 1.00 0.19 H new ATOM 0 HD11 LEU A 127 116.733 -0.092 -2.069 1.00 0.23 H new ATOM 0 HD12 LEU A 127 116.747 -0.019 -3.847 1.00 0.23 H new ATOM 0 HD13 LEU A 127 115.885 1.226 -2.912 1.00 0.23 H new ATOM 0 HD21 LEU A 127 114.635 -0.672 -0.857 1.00 0.18 H new ATOM 0 HD22 LEU A 127 113.794 0.653 -1.696 1.00 0.18 H new ATOM 0 HD23 LEU A 127 113.141 -1.001 -1.766 1.00 0.18 H new ATOM 1932 N GLY A 128 111.634 -1.786 -6.432 1.00 0.17 N ATOM 1933 CA GLY A 128 111.009 -1.514 -7.725 1.00 0.19 C ATOM 1934 C GLY A 128 109.903 -0.465 -7.634 1.00 0.19 C ATOM 1935 O GLY A 128 109.820 0.424 -8.479 1.00 0.19 O ATOM 0 H GLY A 128 111.713 -2.777 -6.202 1.00 0.17 H new ATOM 0 HA2 GLY A 128 111.770 -1.174 -8.428 1.00 0.19 H new ATOM 0 HA3 GLY A 128 110.595 -2.439 -8.126 1.00 0.19 H new ATOM 1939 N ALA A 129 109.070 -0.552 -6.600 1.00 0.19 N ATOM 1940 CA ALA A 129 107.944 0.369 -6.469 1.00 0.20 C ATOM 1941 C ALA A 129 108.432 1.813 -6.389 1.00 0.18 C ATOM 1942 O ALA A 129 107.949 2.687 -7.111 1.00 0.18 O ATOM 1943 CB ALA A 129 107.134 0.031 -5.217 1.00 0.20 C ATOM 0 H ALA A 129 109.151 -1.240 -5.851 1.00 0.19 H new ATOM 0 HA ALA A 129 107.312 0.263 -7.350 1.00 0.20 H new ATOM 0 HB1 ALA A 129 106.297 0.723 -5.128 1.00 0.20 H new ATOM 0 HB2 ALA A 129 106.756 -0.989 -5.293 1.00 0.20 H new ATOM 0 HB3 ALA A 129 107.771 0.117 -4.337 1.00 0.20 H new ATOM 1949 N LEU A 130 109.416 2.055 -5.530 1.00 0.17 N ATOM 1950 CA LEU A 130 109.942 3.402 -5.353 1.00 0.16 C ATOM 1951 C LEU A 130 110.493 3.937 -6.671 1.00 0.15 C ATOM 1952 O LEU A 130 110.259 5.092 -7.033 1.00 0.15 O ATOM 1953 CB LEU A 130 111.046 3.387 -4.295 1.00 0.16 C ATOM 1954 CG LEU A 130 111.513 4.815 -4.013 1.00 0.15 C ATOM 1955 CD1 LEU A 130 110.404 5.581 -3.287 1.00 0.15 C ATOM 1956 CD2 LEU A 130 112.762 4.773 -3.130 1.00 0.14 C ATOM 0 H LEU A 130 109.861 1.343 -4.951 1.00 0.17 H new ATOM 0 HA LEU A 130 109.134 4.055 -5.024 1.00 0.16 H new ATOM 0 HB2 LEU A 130 110.677 2.928 -3.378 1.00 0.16 H new ATOM 0 HB3 LEU A 130 111.884 2.782 -4.640 1.00 0.16 H new ATOM 0 HG LEU A 130 111.745 5.315 -4.953 1.00 0.15 H new ATOM 0 HD11 LEU A 130 110.737 6.599 -3.086 1.00 0.15 H new ATOM 0 HD12 LEU A 130 109.511 5.608 -3.912 1.00 0.15 H new ATOM 0 HD13 LEU A 130 110.173 5.082 -2.346 1.00 0.15 H new ATOM 0 HD21 LEU A 130 113.098 5.790 -2.927 1.00 0.14 H new ATOM 0 HD22 LEU A 130 112.526 4.274 -2.190 1.00 0.14 H new ATOM 0 HD23 LEU A 130 113.552 4.225 -3.643 1.00 0.14 H new ATOM 1968 N LEU A 131 111.198 3.083 -7.403 1.00 0.16 N ATOM 1969 CA LEU A 131 111.787 3.491 -8.672 1.00 0.16 C ATOM 1970 C LEU A 131 110.703 3.951 -9.639 1.00 0.16 C ATOM 1971 O LEU A 131 110.841 4.985 -10.286 1.00 0.16 O ATOM 1972 CB LEU A 131 112.569 2.322 -9.283 1.00 0.17 C ATOM 1973 CG LEU A 131 113.271 2.768 -10.569 1.00 0.17 C ATOM 1974 CD1 LEU A 131 114.413 3.725 -10.225 1.00 0.19 C ATOM 1975 CD2 LEU A 131 113.838 1.545 -11.292 1.00 0.19 C ATOM 0 H LEU A 131 111.375 2.113 -7.143 1.00 0.16 H new ATOM 0 HA LEU A 131 112.467 4.323 -8.490 1.00 0.16 H new ATOM 0 HB2 LEU A 131 113.305 1.954 -8.568 1.00 0.17 H new ATOM 0 HB3 LEU A 131 111.892 1.495 -9.498 1.00 0.17 H new ATOM 0 HG LEU A 131 112.553 3.274 -11.214 1.00 0.17 H new ATOM 0 HD11 LEU A 131 114.911 4.041 -11.141 1.00 0.19 H new ATOM 0 HD12 LEU A 131 114.013 4.598 -9.710 1.00 0.19 H new ATOM 0 HD13 LEU A 131 115.130 3.219 -9.578 1.00 0.19 H new ATOM 0 HD21 LEU A 131 114.338 1.863 -12.207 1.00 0.19 H new ATOM 0 HD22 LEU A 131 114.554 1.039 -10.644 1.00 0.19 H new ATOM 0 HD23 LEU A 131 113.027 0.861 -11.540 1.00 0.19 H new ATOM 1987 N SER A 132 109.611 3.199 -9.707 1.00 0.18 N ATOM 1988 CA SER A 132 108.543 3.513 -10.647 1.00 0.19 C ATOM 1989 C SER A 132 107.995 4.911 -10.387 1.00 0.18 C ATOM 1990 O SER A 132 107.796 5.692 -11.319 1.00 0.18 O ATOM 1991 CB SER A 132 107.417 2.487 -10.523 1.00 0.21 C ATOM 1992 OG SER A 132 107.955 1.181 -10.684 1.00 1.18 O ATOM 0 H SER A 132 109.443 2.376 -9.129 1.00 0.18 H new ATOM 0 HA SER A 132 108.952 3.479 -11.657 1.00 0.19 H new ATOM 0 HB2 SER A 132 106.933 2.576 -9.551 1.00 0.21 H new ATOM 0 HB3 SER A 132 106.653 2.674 -11.278 1.00 0.21 H new ATOM 0 HG SER A 132 108.429 0.920 -9.867 1.00 1.18 H new ATOM 1998 N THR A 133 107.788 5.236 -9.116 1.00 0.17 N ATOM 1999 CA THR A 133 107.226 6.536 -8.764 1.00 0.17 C ATOM 2000 C THR A 133 108.137 7.662 -9.243 1.00 0.16 C ATOM 2001 O THR A 133 107.684 8.615 -9.882 1.00 0.15 O ATOM 2002 CB THR A 133 107.039 6.631 -7.248 1.00 0.18 C ATOM 2003 OG1 THR A 133 106.266 5.527 -6.798 1.00 0.19 O ATOM 2004 CG2 THR A 133 106.319 7.934 -6.898 1.00 0.18 C ATOM 0 H THR A 133 107.997 4.629 -8.323 1.00 0.17 H new ATOM 0 HA THR A 133 106.258 6.638 -9.254 1.00 0.17 H new ATOM 0 HB THR A 133 108.014 6.617 -6.762 1.00 0.18 H new ATOM 0 HG1 THR A 133 106.147 5.585 -5.827 1.00 0.19 H new ATOM 0 HG21 THR A 133 106.188 7.998 -5.818 1.00 0.18 H new ATOM 0 HG22 THR A 133 106.912 8.781 -7.242 1.00 0.18 H new ATOM 0 HG23 THR A 133 105.343 7.953 -7.384 1.00 0.18 H new ATOM 2012 N THR A 134 109.429 7.532 -8.964 1.00 0.16 N ATOM 2013 CA THR A 134 110.377 8.578 -9.333 1.00 0.15 C ATOM 2014 C THR A 134 110.431 8.755 -10.849 1.00 0.16 C ATOM 2015 O THR A 134 110.490 9.879 -11.344 1.00 0.15 O ATOM 2016 CB THR A 134 111.769 8.253 -8.789 1.00 0.17 C ATOM 2017 OG1 THR A 134 111.669 7.977 -7.400 1.00 0.16 O ATOM 2018 CG2 THR A 134 112.694 9.453 -9.006 1.00 0.18 C ATOM 0 H THR A 134 109.840 6.727 -8.491 1.00 0.16 H new ATOM 0 HA THR A 134 110.037 9.514 -8.891 1.00 0.15 H new ATOM 0 HB THR A 134 112.176 7.386 -9.309 1.00 0.17 H new ATOM 0 HG1 THR A 134 110.837 8.358 -7.050 1.00 0.16 H new ATOM 0 HG21 THR A 134 113.686 9.222 -8.619 1.00 0.18 H new ATOM 0 HG22 THR A 134 112.762 9.672 -10.072 1.00 0.18 H new ATOM 0 HG23 THR A 134 112.293 10.321 -8.483 1.00 0.18 H new ATOM 2026 N LEU A 135 110.392 7.648 -11.586 1.00 0.17 N ATOM 2027 CA LEU A 135 110.437 7.714 -13.043 1.00 0.18 C ATOM 2028 C LEU A 135 109.248 8.499 -13.588 1.00 0.17 C ATOM 2029 O LEU A 135 109.390 9.269 -14.538 1.00 0.18 O ATOM 2030 CB LEU A 135 110.437 6.305 -13.640 1.00 0.20 C ATOM 2031 CG LEU A 135 111.737 5.585 -13.276 1.00 0.20 C ATOM 2032 CD1 LEU A 135 111.631 4.112 -13.673 1.00 0.22 C ATOM 2033 CD2 LEU A 135 112.905 6.227 -14.029 1.00 0.21 C ATOM 0 H LEU A 135 110.330 6.705 -11.203 1.00 0.17 H new ATOM 0 HA LEU A 135 111.356 8.226 -13.328 1.00 0.18 H new ATOM 0 HB2 LEU A 135 109.582 5.742 -13.265 1.00 0.20 H new ATOM 0 HB3 LEU A 135 110.333 6.360 -14.724 1.00 0.20 H new ATOM 0 HG LEU A 135 111.906 5.665 -12.202 1.00 0.20 H new ATOM 0 HD11 LEU A 135 112.557 3.598 -13.414 1.00 0.22 H new ATOM 0 HD12 LEU A 135 110.799 3.651 -13.141 1.00 0.22 H new ATOM 0 HD13 LEU A 135 111.462 4.036 -14.747 1.00 0.22 H new ATOM 0 HD21 LEU A 135 113.831 5.714 -13.770 1.00 0.21 H new ATOM 0 HD22 LEU A 135 112.734 6.147 -15.102 1.00 0.21 H new ATOM 0 HD23 LEU A 135 112.983 7.278 -13.752 1.00 0.21 H new ATOM 2045 N ASN A 136 108.077 8.300 -12.988 1.00 0.17 N ATOM 2046 CA ASN A 136 106.885 9.021 -13.420 1.00 0.17 C ATOM 2047 C ASN A 136 107.107 10.526 -13.303 1.00 0.15 C ATOM 2048 O ASN A 136 106.731 11.290 -14.191 1.00 0.16 O ATOM 2049 CB ASN A 136 105.685 8.610 -12.563 1.00 0.18 C ATOM 2050 CG ASN A 136 105.366 7.131 -12.772 1.00 1.17 C ATOM 2051 OD1 ASN A 136 105.737 6.548 -13.792 1.00 1.85 O ATOM 2052 ND2 ASN A 136 104.691 6.487 -11.860 1.00 1.90 N ATOM 0 H ASN A 136 107.929 7.655 -12.212 1.00 0.17 H new ATOM 0 HA ASN A 136 106.685 8.771 -14.462 1.00 0.17 H new ATOM 0 HB2 ASN A 136 105.900 8.798 -11.511 1.00 0.18 H new ATOM 0 HB3 ASN A 136 104.818 9.217 -12.825 1.00 0.18 H new ATOM 0 HD21 ASN A 136 104.470 5.500 -11.991 1.00 1.90 H new ATOM 0 HD22 ASN A 136 104.384 6.971 -11.016 1.00 1.90 H new ATOM 2059 N LEU A 137 107.721 10.940 -12.199 1.00 0.14 N ATOM 2060 CA LEU A 137 108.040 12.352 -11.997 1.00 0.14 C ATOM 2061 C LEU A 137 109.021 12.849 -13.056 1.00 0.16 C ATOM 2062 O LEU A 137 108.899 13.968 -13.554 1.00 0.18 O ATOM 2063 CB LEU A 137 108.643 12.558 -10.606 1.00 0.14 C ATOM 2064 CG LEU A 137 107.677 12.050 -9.531 1.00 0.15 C ATOM 2065 CD1 LEU A 137 108.334 12.187 -8.156 1.00 0.16 C ATOM 2066 CD2 LEU A 137 106.388 12.875 -9.557 1.00 0.20 C ATOM 0 H LEU A 137 108.006 10.326 -11.436 1.00 0.14 H new ATOM 0 HA LEU A 137 107.116 12.923 -12.084 1.00 0.14 H new ATOM 0 HB2 LEU A 137 109.593 12.029 -10.531 1.00 0.14 H new ATOM 0 HB3 LEU A 137 108.854 13.615 -10.446 1.00 0.14 H new ATOM 0 HG LEU A 137 107.440 11.004 -9.727 1.00 0.15 H new ATOM 0 HD11 LEU A 137 107.650 11.826 -7.388 1.00 0.16 H new ATOM 0 HD12 LEU A 137 109.251 11.598 -8.130 1.00 0.16 H new ATOM 0 HD13 LEU A 137 108.570 13.234 -7.968 1.00 0.16 H new ATOM 0 HD21 LEU A 137 105.706 12.508 -8.790 1.00 0.20 H new ATOM 0 HD22 LEU A 137 106.622 13.922 -9.364 1.00 0.20 H new ATOM 0 HD23 LEU A 137 105.917 12.783 -10.536 1.00 0.20 H new ATOM 2078 N CYS A 138 109.993 12.008 -13.398 1.00 0.16 N ATOM 2079 CA CYS A 138 110.982 12.358 -14.416 1.00 0.20 C ATOM 2080 C CYS A 138 110.335 12.644 -15.776 1.00 0.23 C ATOM 2081 O CYS A 138 110.902 13.377 -16.587 1.00 0.26 O ATOM 2082 CB CYS A 138 111.985 11.209 -14.568 1.00 0.22 C ATOM 2083 SG CYS A 138 113.294 11.314 -13.316 1.00 0.30 S ATOM 0 H CYS A 138 110.118 11.083 -12.988 1.00 0.16 H new ATOM 0 HA CYS A 138 111.485 13.267 -14.087 1.00 0.20 H new ATOM 0 HB2 CYS A 138 111.466 10.255 -14.477 1.00 0.22 H new ATOM 0 HB3 CYS A 138 112.427 11.237 -15.564 1.00 0.22 H new ATOM 2088 N GLY A 139 109.156 12.076 -16.029 1.00 0.23 N ATOM 2089 CA GLY A 139 108.472 12.291 -17.302 1.00 0.28 C ATOM 2090 C GLY A 139 109.026 11.408 -18.425 1.00 0.40 C ATOM 2091 O GLY A 139 108.881 11.741 -19.601 1.00 0.61 O ATOM 0 H GLY A 139 108.659 11.470 -15.376 1.00 0.23 H new ATOM 0 HA2 GLY A 139 107.408 12.089 -17.177 1.00 0.28 H new ATOM 0 HA3 GLY A 139 108.566 13.338 -17.588 1.00 0.28 H new ATOM 2095 N LYS A 140 109.659 10.290 -18.072 1.00 0.40 N ATOM 2096 CA LYS A 140 110.225 9.394 -19.074 1.00 0.56 C ATOM 2097 C LYS A 140 109.116 8.663 -19.826 1.00 0.95 C ATOM 2098 O LYS A 140 108.172 8.156 -19.220 1.00 1.22 O ATOM 2099 CB LYS A 140 111.144 8.374 -18.400 1.00 0.67 C ATOM 2100 CG LYS A 140 111.862 7.545 -19.466 1.00 1.70 C ATOM 2101 CD LYS A 140 112.716 6.470 -18.789 1.00 2.23 C ATOM 2102 CE LYS A 140 113.553 5.742 -19.843 1.00 3.40 C ATOM 2103 NZ LYS A 140 114.165 4.527 -19.237 1.00 4.01 N ATOM 0 H LYS A 140 109.791 9.986 -17.107 1.00 0.40 H new ATOM 0 HA LYS A 140 110.800 9.988 -19.784 1.00 0.56 H new ATOM 0 HB2 LYS A 140 111.873 8.886 -17.772 1.00 0.67 H new ATOM 0 HB3 LYS A 140 110.563 7.722 -17.748 1.00 0.67 H new ATOM 0 HG2 LYS A 140 111.134 7.080 -20.131 1.00 1.70 H new ATOM 0 HG3 LYS A 140 112.490 8.190 -20.081 1.00 1.70 H new ATOM 0 HD2 LYS A 140 113.368 6.925 -18.043 1.00 2.23 H new ATOM 0 HD3 LYS A 140 112.077 5.760 -18.264 1.00 2.23 H new ATOM 0 HE2 LYS A 140 112.927 5.463 -20.691 1.00 3.40 H new ATOM 0 HE3 LYS A 140 114.331 6.403 -20.225 1.00 3.40 H new ATOM 0 HZ1 LYS A 140 114.734 4.031 -19.952 1.00 4.01 H new ATOM 0 HZ2 LYS A 140 114.775 4.805 -18.442 1.00 4.01 H new ATOM 0 HZ3 LYS A 140 113.414 3.895 -18.893 1.00 4.01 H new ATOM 2117 N GLY A 141 109.239 8.616 -21.148 1.00 1.21 N ATOM 2118 CA GLY A 141 108.240 7.946 -21.974 1.00 1.70 C ATOM 2119 C GLY A 141 108.009 8.708 -23.274 1.00 2.02 C ATOM 2120 O GLY A 141 107.031 8.414 -23.943 1.00 2.50 O ATOM 2121 OXT GLY A 141 108.811 9.573 -23.583 1.00 2.63 O ATOM 0 H GLY A 141 110.013 9.030 -21.667 1.00 1.21 H new ATOM 0 HA2 GLY A 141 108.568 6.931 -22.196 1.00 1.70 H new ATOM 0 HA3 GLY A 141 107.303 7.865 -21.424 1.00 1.70 H new TER 2125 GLY A 141