USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1102 hydrogens (28 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 NoAdj-H: B 312 ALY H2 : B 312 ALY N : B 311 GLY C :(H bumps) USER MOD NoAdj-H: B 315 ALY H2 : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD NoAdj-H: B 315 ALY H : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD Set 1.1: A 135 GLN : amide:sc= 0.0148 K(o=0.34,f=-3.6!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -153:sc= 0.321 (180deg=0) USER MOD Set 2.1: A 127 GLN : amide:sc= -0.864 X(o=-0.86,f=-0.42) USER MOD Set 2.2: A 131 LYS NZ :NH3+ 146:sc= 0.00451 (180deg=0) USER MOD Set 3.1: A 103 GLN : amide:sc= -0.657 X(o=0.29,f=0.021) USER MOD Set 3.2: A 107 THR OG1 : rot 72:sc= 0.943 USER MOD Set 4.1: A 42 MET CE :methyl -154:sc= -0.867 (180deg=-2.26!) USER MOD Set 4.2: A 102 MET CE :methyl -142:sc= -0.517 (180deg=-2.41!) USER MOD Set 4.3: A 140 MET CE :methyl -131:sc= -0.109 (180deg=-0.535) USER MOD Set 5.1: A 36 THR OG1 : rot -158:sc= 0.0589 USER MOD Set 5.2: A 97 SER OG : rot -132:sc= 1.26 USER MOD Set 5.3: A 99 SER OG : rot -97:sc= 0.843 USER MOD Set 6.1: A 95 TYR OH : rot 0:sc= 1.31 USER MOD Set 6.2: A 101 CYS SG : rot 70:sc= -0.851! USER MOD Set 7.1: A 73 TYR OH : rot -73:sc= 0.799 USER MOD Set 7.2: A 111 ASN : amide:sc= 0.414 K(o=1.2,f=-3.3!) USER MOD Set 8.1: A 44 ASN : amide:sc= 0.272 K(o=0.53,f=-2.1) USER MOD Set 8.2: A 48 LYS NZ :NH3+ -169:sc= 0.254 (180deg=0) USER MOD Set 9.1: A 35 LYS NZ :NH3+ -177:sc= 1.25 (180deg=0) USER MOD Set 9.2: A 40 GLN : amide:sc= 1.08 K(o=2.3,f=-3.8) USER MOD Single : A 24 SER OG : rot -130:sc= 0.498 USER MOD Single : A 27 SER OG : rot 33:sc= 1.11 USER MOD Single : A 28 ASN : amide:sc= 1 K(o=1,f=-8.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 2.39 (180deg=2.32) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 38 GLN : amide:sc= 1.16 K(o=1.2,f=-2.6!) USER MOD Single : A 41 TYR OH : rot -87:sc= 1.2 USER MOD Single : A 43 GLN : amide:sc=-0.000323 X(o=-0.00032,f=0) USER MOD Single : A 49 THR OG1 : rot 26:sc= 0.732 USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -0.0512 (180deg=-0.325) USER MOD Single : A 53 HIS : no HD1:sc= -3.91 K(o=-3.9,f=-4.9!) USER MOD Single : A 54 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.0019) USER MOD Single : A 60 TYR OH : rot 1:sc= 1.26 USER MOD Single : A 61 GLN : amide:sc= -0.723 K(o=-0.72,f=-0.06) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-2.8!) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= 1.31 (180deg=1.29) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -145:sc= -1.29 (180deg=-2.27!) USER MOD Single : A 83 MET CE :methyl 173:sc= -2.42 (180deg=-2.77) USER MOD Single : A 85 THR OG1 : rot -110:sc= 0.513 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.19) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 93 ASN : amide:sc= 1.17 K(o=1.2,f=-0.18) USER MOD Single : A 94 TYR OH : rot -6:sc= 1.24 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -85:sc= 1.17 USER MOD Single : A 112 CYS SG : rot 99:sc= -1.41 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0.149 K(o=0.15,f=-3.1!) USER MOD Single : A 117 LYS NZ :NH3+ -145:sc= 1.19 (180deg=-0.641) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0579 USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 GLN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : B 314 LYS NZ :NH3+ -165:sc= 0.493 (180deg=0.104!) USER MOD Single : B 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 21 0.741 -16.567 5.183 1.00 5.93 N ATOM 2 CA PRO A 21 1.157 -15.163 5.378 1.00 5.16 C ATOM 3 C PRO A 21 -0.055 -14.245 5.365 1.00 4.32 C ATOM 4 O PRO A 21 -1.136 -14.645 4.931 1.00 4.31 O ATOM 5 CB PRO A 21 2.119 -14.775 4.268 1.00 4.92 C ATOM 6 CG PRO A 21 2.063 -15.928 3.331 1.00 5.41 C ATOM 7 CD PRO A 21 1.644 -17.123 4.157 1.00 6.18 C ATOM 0 HA PRO A 21 1.651 -15.062 6.344 1.00 5.16 H new ATOM 0 HB2 PRO A 21 1.815 -13.849 3.781 1.00 4.92 H new ATOM 0 HB3 PRO A 21 3.128 -14.618 4.650 1.00 4.92 H new ATOM 0 HG2 PRO A 21 1.351 -15.742 2.527 1.00 5.41 H new ATOM 0 HG3 PRO A 21 3.033 -16.098 2.865 1.00 5.41 H new ATOM 0 HD2 PRO A 21 1.137 -17.870 3.546 1.00 6.18 H new ATOM 0 HD3 PRO A 21 2.505 -17.613 4.610 1.00 6.18 H new ATOM 16 N LEU A 22 0.129 -13.020 5.840 1.00 4.14 N ATOM 17 CA LEU A 22 -0.950 -12.045 5.876 1.00 3.85 C ATOM 18 C LEU A 22 -1.191 -11.463 4.487 1.00 3.48 C ATOM 19 O LEU A 22 -0.577 -10.466 4.101 1.00 4.01 O ATOM 20 CB LEU A 22 -0.624 -10.923 6.868 1.00 4.67 C ATOM 21 CG LEU A 22 -1.421 -10.961 8.173 1.00 5.12 C ATOM 22 CD1 LEU A 22 -0.679 -10.224 9.278 1.00 5.71 C ATOM 23 CD2 LEU A 22 -2.802 -10.359 7.966 1.00 5.61 C ATOM 0 H LEU A 22 1.018 -12.679 6.206 1.00 4.14 H new ATOM 0 HA LEU A 22 -1.858 -12.551 6.205 1.00 3.85 H new ATOM 0 HB2 LEU A 22 0.438 -10.968 7.107 1.00 4.67 H new ATOM 0 HB3 LEU A 22 -0.801 -9.965 6.380 1.00 4.67 H new ATOM 0 HG LEU A 22 -1.537 -12.002 8.475 1.00 5.12 H new ATOM 0 HD11 LEU A 22 -1.263 -10.263 10.197 1.00 5.71 H new ATOM 0 HD12 LEU A 22 0.290 -10.696 9.443 1.00 5.71 H new ATOM 0 HD13 LEU A 22 -0.531 -9.184 8.986 1.00 5.71 H new ATOM 0 HD21 LEU A 22 -3.358 -10.393 8.903 1.00 5.61 H new ATOM 0 HD22 LEU A 22 -2.702 -9.324 7.640 1.00 5.61 H new ATOM 0 HD23 LEU A 22 -3.337 -10.929 7.206 1.00 5.61 H new ATOM 35 N GLY A 23 -2.067 -12.112 3.731 1.00 3.17 N ATOM 36 CA GLY A 23 -2.385 -11.654 2.393 1.00 3.45 C ATOM 37 C GLY A 23 -1.383 -12.143 1.368 1.00 2.96 C ATOM 38 O GLY A 23 -1.637 -13.109 0.650 1.00 3.32 O ATOM 0 H GLY A 23 -2.566 -12.953 4.023 1.00 3.17 H new ATOM 0 HA2 GLY A 23 -3.381 -12.001 2.119 1.00 3.45 H new ATOM 0 HA3 GLY A 23 -2.413 -10.564 2.381 1.00 3.45 H new ATOM 42 N SER A 24 -0.237 -11.489 1.317 1.00 2.37 N ATOM 43 CA SER A 24 0.812 -11.845 0.378 1.00 1.94 C ATOM 44 C SER A 24 2.077 -12.244 1.121 1.00 1.65 C ATOM 45 O SER A 24 2.087 -12.292 2.351 1.00 1.75 O ATOM 46 CB SER A 24 1.091 -10.669 -0.549 1.00 2.01 C ATOM 47 OG SER A 24 1.881 -9.674 0.090 1.00 2.44 O ATOM 0 H SER A 24 -0.007 -10.700 1.922 1.00 2.37 H new ATOM 0 HA SER A 24 0.482 -12.697 -0.216 1.00 1.94 H new ATOM 0 HB2 SER A 24 1.605 -11.023 -1.443 1.00 2.01 H new ATOM 0 HB3 SER A 24 0.148 -10.231 -0.876 1.00 2.01 H new ATOM 0 HG SER A 24 1.462 -8.796 -0.030 1.00 2.44 H new ATOM 53 N GLU A 25 3.132 -12.542 0.369 1.00 1.39 N ATOM 54 CA GLU A 25 4.448 -12.786 0.944 1.00 1.23 C ATOM 55 C GLU A 25 4.853 -11.650 1.866 1.00 1.05 C ATOM 56 O GLU A 25 4.532 -10.489 1.612 1.00 1.12 O ATOM 57 CB GLU A 25 5.502 -12.906 -0.153 1.00 1.48 C ATOM 58 CG GLU A 25 5.798 -14.328 -0.567 1.00 1.13 C ATOM 59 CD GLU A 25 6.373 -14.396 -1.965 1.00 1.28 C ATOM 60 OE1 GLU A 25 7.583 -14.132 -2.128 1.00 1.43 O ATOM 61 OE2 GLU A 25 5.613 -14.689 -2.909 1.00 1.64 O ATOM 0 H GLU A 25 3.099 -12.620 -0.647 1.00 1.39 H new ATOM 0 HA GLU A 25 4.388 -13.717 1.507 1.00 1.23 H new ATOM 0 HB2 GLU A 25 5.168 -12.346 -1.027 1.00 1.48 H new ATOM 0 HB3 GLU A 25 6.425 -12.439 0.191 1.00 1.48 H new ATOM 0 HG2 GLU A 25 6.501 -14.773 0.137 1.00 1.13 H new ATOM 0 HG3 GLU A 25 4.883 -14.918 -0.521 1.00 1.13 H new ATOM 68 N VAL A 26 5.550 -11.987 2.932 1.00 0.93 N ATOM 69 CA VAL A 26 6.089 -10.982 3.824 1.00 0.84 C ATOM 70 C VAL A 26 7.609 -11.093 3.884 1.00 0.83 C ATOM 71 O VAL A 26 8.297 -10.169 4.316 1.00 0.85 O ATOM 72 CB VAL A 26 5.475 -11.093 5.239 1.00 0.83 C ATOM 73 CG1 VAL A 26 6.253 -12.062 6.124 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.395 -9.722 5.881 1.00 0.83 C ATOM 0 H VAL A 26 5.756 -12.949 3.201 1.00 0.93 H new ATOM 0 HA VAL A 26 5.823 -10.002 3.429 1.00 0.84 H new ATOM 0 HB VAL A 26 4.467 -11.495 5.134 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.787 -12.109 7.108 1.00 0.93 H new ATOM 0 HG12 VAL A 26 6.246 -13.054 5.671 1.00 0.93 H new ATOM 0 HG13 VAL A 26 7.282 -11.716 6.225 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.961 -9.811 6.877 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.396 -9.297 5.958 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.770 -9.070 5.270 1.00 0.83 H new ATOM 84 N SER A 27 8.121 -12.222 3.411 1.00 0.91 N ATOM 85 CA SER A 27 9.553 -12.488 3.415 1.00 1.00 C ATOM 86 C SER A 27 9.866 -13.681 2.521 1.00 1.07 C ATOM 87 O SER A 27 9.163 -14.697 2.550 1.00 1.19 O ATOM 88 CB SER A 27 10.052 -12.746 4.839 1.00 1.15 C ATOM 89 OG SER A 27 10.354 -11.527 5.495 1.00 1.61 O ATOM 0 H SER A 27 7.558 -12.975 3.016 1.00 0.91 H new ATOM 0 HA SER A 27 10.069 -11.610 3.026 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.293 -13.289 5.402 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.940 -13.378 4.809 1.00 1.15 H new ATOM 0 HG SER A 27 9.744 -10.827 5.181 1.00 1.61 H new ATOM 95 N ASN A 28 10.908 -13.541 1.719 1.00 1.07 N ATOM 96 CA ASN A 28 11.314 -14.586 0.795 1.00 1.18 C ATOM 97 C ASN A 28 12.835 -14.680 0.749 1.00 1.23 C ATOM 98 O ASN A 28 13.515 -13.687 0.505 1.00 1.12 O ATOM 99 CB ASN A 28 10.755 -14.303 -0.604 1.00 1.19 C ATOM 100 CG ASN A 28 10.789 -15.517 -1.516 1.00 1.39 C ATOM 101 OD1 ASN A 28 11.786 -16.235 -1.584 1.00 1.60 O ATOM 102 ND2 ASN A 28 9.704 -15.746 -2.238 1.00 1.48 N ATOM 0 H ASN A 28 11.493 -12.706 1.690 1.00 1.07 H new ATOM 0 HA ASN A 28 10.914 -15.539 1.142 1.00 1.18 H new ATOM 0 HB2 ASN A 28 9.727 -13.952 -0.514 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.328 -13.496 -1.061 1.00 1.19 H new ATOM 0 HD21 ASN A 28 9.675 -16.540 -2.878 1.00 1.48 H new ATOM 0 HD22 ASN A 28 8.896 -15.129 -2.155 1.00 1.48 H new ATOM 109 N PRO A 29 13.383 -15.869 1.029 1.00 1.46 N ATOM 110 CA PRO A 29 14.835 -16.124 0.982 1.00 1.60 C ATOM 111 C PRO A 29 15.351 -16.356 -0.441 1.00 1.54 C ATOM 112 O PRO A 29 16.509 -16.067 -0.753 1.00 1.54 O ATOM 113 CB PRO A 29 14.946 -17.414 1.786 1.00 1.87 C ATOM 114 CG PRO A 29 13.693 -18.128 1.441 1.00 1.86 C ATOM 115 CD PRO A 29 12.634 -17.071 1.451 1.00 1.65 C ATOM 0 HA PRO A 29 15.420 -15.285 1.358 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.829 -17.989 1.507 1.00 1.87 H new ATOM 0 HB3 PRO A 29 15.018 -17.218 2.856 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.766 -18.605 0.464 1.00 1.86 H new ATOM 0 HG3 PRO A 29 13.474 -18.914 2.164 1.00 1.86 H new ATOM 0 HD2 PRO A 29 11.820 -17.305 0.765 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.192 -16.948 2.440 1.00 1.65 H new ATOM 123 N SER A 30 14.486 -16.903 -1.289 1.00 1.57 N ATOM 124 CA SER A 30 14.833 -17.218 -2.662 1.00 1.63 C ATOM 125 C SER A 30 14.851 -15.944 -3.487 1.00 1.47 C ATOM 126 O SER A 30 15.461 -15.878 -4.553 1.00 1.58 O ATOM 127 CB SER A 30 13.808 -18.198 -3.229 1.00 1.81 C ATOM 128 OG SER A 30 14.263 -18.792 -4.435 1.00 2.18 O ATOM 0 H SER A 30 13.526 -17.139 -1.039 1.00 1.57 H new ATOM 0 HA SER A 30 15.822 -17.675 -2.697 1.00 1.63 H new ATOM 0 HB2 SER A 30 13.603 -18.977 -2.494 1.00 1.81 H new ATOM 0 HB3 SER A 30 12.868 -17.677 -3.412 1.00 1.81 H new ATOM 0 HG SER A 30 13.584 -19.414 -4.770 1.00 2.18 H new ATOM 134 N LYS A 31 14.172 -14.938 -2.978 1.00 1.28 N ATOM 135 CA LYS A 31 14.127 -13.641 -3.623 1.00 1.14 C ATOM 136 C LYS A 31 15.011 -12.663 -2.854 1.00 1.01 C ATOM 137 O LYS A 31 14.996 -12.645 -1.626 1.00 1.03 O ATOM 138 CB LYS A 31 12.678 -13.139 -3.695 1.00 1.14 C ATOM 139 CG LYS A 31 12.536 -11.631 -3.601 1.00 1.18 C ATOM 140 CD LYS A 31 11.080 -11.219 -3.488 1.00 1.26 C ATOM 141 CE LYS A 31 10.863 -9.765 -3.894 1.00 1.93 C ATOM 142 NZ LYS A 31 11.873 -8.843 -3.290 1.00 2.75 N ATOM 0 H LYS A 31 13.638 -14.994 -2.111 1.00 1.28 H new ATOM 0 HA LYS A 31 14.504 -13.723 -4.642 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.235 -13.477 -4.632 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.106 -13.597 -2.888 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.088 -11.265 -2.735 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.980 -11.166 -4.481 1.00 1.18 H new ATOM 0 HD2 LYS A 31 10.470 -11.866 -4.119 1.00 1.26 H new ATOM 0 HD3 LYS A 31 10.741 -11.363 -2.462 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.907 -9.684 -4.980 1.00 1.93 H new ATOM 0 HE3 LYS A 31 9.864 -9.452 -3.591 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 11.641 -7.861 -3.542 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 11.863 -8.947 -2.255 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 12.819 -9.079 -3.652 1.00 2.75 H new ATOM 156 N PRO A 32 15.810 -11.856 -3.563 1.00 0.99 N ATOM 157 CA PRO A 32 16.681 -10.864 -2.933 1.00 0.97 C ATOM 158 C PRO A 32 15.896 -9.839 -2.118 1.00 0.85 C ATOM 159 O PRO A 32 14.836 -9.356 -2.539 1.00 0.89 O ATOM 160 CB PRO A 32 17.384 -10.191 -4.113 1.00 1.14 C ATOM 161 CG PRO A 32 16.538 -10.503 -5.301 1.00 1.38 C ATOM 162 CD PRO A 32 15.933 -11.848 -5.026 1.00 1.13 C ATOM 0 HA PRO A 32 17.370 -11.323 -2.224 1.00 0.97 H new ATOM 0 HB2 PRO A 32 17.467 -9.115 -3.960 1.00 1.14 H new ATOM 0 HB3 PRO A 32 18.397 -10.574 -4.239 1.00 1.14 H new ATOM 0 HG2 PRO A 32 15.765 -9.747 -5.441 1.00 1.38 H new ATOM 0 HG3 PRO A 32 17.135 -10.521 -6.213 1.00 1.38 H new ATOM 0 HD2 PRO A 32 14.965 -11.964 -5.514 1.00 1.13 H new ATOM 0 HD3 PRO A 32 16.569 -12.658 -5.383 1.00 1.13 H new ATOM 170 N GLY A 33 16.428 -9.525 -0.953 1.00 0.83 N ATOM 171 CA GLY A 33 15.799 -8.576 -0.062 1.00 0.79 C ATOM 172 C GLY A 33 16.829 -7.704 0.607 1.00 0.76 C ATOM 173 O GLY A 33 17.191 -7.925 1.762 1.00 0.97 O ATOM 0 H GLY A 33 17.301 -9.918 -0.601 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.099 -7.955 -0.621 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.221 -9.108 0.693 1.00 0.79 H new ATOM 177 N ARG A 34 17.320 -6.726 -0.128 1.00 0.81 N ATOM 178 CA ARG A 34 18.364 -5.851 0.370 1.00 0.79 C ATOM 179 C ARG A 34 17.756 -4.602 0.984 1.00 0.79 C ATOM 180 O ARG A 34 16.547 -4.400 0.920 1.00 0.97 O ATOM 181 CB ARG A 34 19.318 -5.472 -0.761 1.00 0.82 C ATOM 182 CG ARG A 34 19.646 -6.629 -1.693 1.00 1.24 C ATOM 183 CD ARG A 34 21.115 -7.003 -1.623 1.00 1.04 C ATOM 184 NE ARG A 34 21.973 -5.964 -2.185 1.00 0.98 N ATOM 185 CZ ARG A 34 22.976 -6.192 -3.032 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.261 -7.431 -3.422 1.00 1.93 N ATOM 187 NH2 ARG A 34 23.707 -5.178 -3.476 1.00 1.56 N ATOM 0 H ARG A 34 17.011 -6.516 -1.077 1.00 0.81 H new ATOM 0 HA ARG A 34 18.925 -6.380 1.140 1.00 0.79 H new ATOM 0 HB2 ARG A 34 18.876 -4.662 -1.342 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.243 -5.088 -0.332 1.00 0.82 H new ATOM 0 HG2 ARG A 34 19.037 -7.494 -1.429 1.00 1.24 H new ATOM 0 HG3 ARG A 34 19.387 -6.357 -2.716 1.00 1.24 H new ATOM 0 HD2 ARG A 34 21.394 -7.181 -0.585 1.00 1.04 H new ATOM 0 HD3 ARG A 34 21.277 -7.937 -2.161 1.00 1.04 H new ATOM 0 HE ARG A 34 21.792 -4.998 -1.911 1.00 0.98 H new ATOM 0 HH11 ARG A 34 22.710 -8.215 -3.072 1.00 1.93 H new ATOM 0 HH12 ARG A 34 24.030 -7.597 -4.071 1.00 1.93 H new ATOM 0 HH21 ARG A 34 23.501 -4.227 -3.169 1.00 1.56 H new ATOM 0 HH22 ARG A 34 24.476 -5.349 -4.124 1.00 1.56 H new ATOM 201 N LYS A 35 18.590 -3.772 1.582 1.00 0.80 N ATOM 202 CA LYS A 35 18.114 -2.553 2.208 1.00 0.82 C ATOM 203 C LYS A 35 18.771 -1.341 1.578 1.00 0.77 C ATOM 204 O LYS A 35 19.954 -1.081 1.795 1.00 0.93 O ATOM 205 CB LYS A 35 18.398 -2.572 3.710 1.00 0.87 C ATOM 206 CG LYS A 35 17.533 -1.610 4.507 1.00 1.42 C ATOM 207 CD LYS A 35 17.369 -2.074 5.945 1.00 1.71 C ATOM 208 CE LYS A 35 18.648 -1.881 6.746 1.00 1.85 C ATOM 209 NZ LYS A 35 18.442 -0.977 7.907 1.00 2.64 N ATOM 0 H LYS A 35 19.597 -3.919 1.647 1.00 0.80 H new ATOM 0 HA LYS A 35 17.037 -2.493 2.054 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.244 -3.583 4.087 1.00 0.87 H new ATOM 0 HB3 LYS A 35 19.447 -2.326 3.876 1.00 0.87 H new ATOM 0 HG2 LYS A 35 17.982 -0.617 4.492 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.553 -1.524 4.037 1.00 1.42 H new ATOM 0 HD2 LYS A 35 16.557 -1.520 6.416 1.00 1.71 H new ATOM 0 HD3 LYS A 35 17.086 -3.127 5.958 1.00 1.71 H new ATOM 0 HE2 LYS A 35 19.006 -2.849 7.098 1.00 1.85 H new ATOM 0 HE3 LYS A 35 19.423 -1.471 6.099 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 19.347 -0.830 8.398 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 18.076 -0.062 7.574 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 17.758 -1.405 8.563 1.00 2.64 H new ATOM 223 N THR A 36 18.010 -0.605 0.792 1.00 0.59 N ATOM 224 CA THR A 36 18.523 0.605 0.191 1.00 0.54 C ATOM 225 C THR A 36 17.908 1.827 0.860 1.00 0.46 C ATOM 226 O THR A 36 16.912 1.717 1.584 1.00 0.46 O ATOM 227 CB THR A 36 18.272 0.664 -1.330 1.00 0.56 C ATOM 228 OG1 THR A 36 16.914 1.050 -1.602 1.00 0.54 O ATOM 229 CG2 THR A 36 18.567 -0.674 -1.989 1.00 0.68 C ATOM 0 H THR A 36 17.042 -0.823 0.557 1.00 0.59 H new ATOM 0 HA THR A 36 19.602 0.601 0.344 1.00 0.54 H new ATOM 0 HB THR A 36 18.947 1.411 -1.747 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.664 0.753 -2.502 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.381 -0.601 -3.060 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.610 -0.941 -1.819 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.922 -1.441 -1.560 1.00 0.68 H new ATOM 237 N ASN A 37 18.507 2.984 0.616 1.00 0.42 N ATOM 238 CA ASN A 37 18.041 4.245 1.178 1.00 0.40 C ATOM 239 C ASN A 37 16.604 4.513 0.774 1.00 0.33 C ATOM 240 O ASN A 37 15.810 4.983 1.577 1.00 0.33 O ATOM 241 CB ASN A 37 18.941 5.390 0.701 1.00 0.48 C ATOM 242 CG ASN A 37 18.634 6.715 1.376 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.315 6.765 2.561 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.736 7.804 0.623 1.00 0.78 N ATOM 0 H ASN A 37 19.331 3.076 0.022 1.00 0.42 H new ATOM 0 HA ASN A 37 18.087 4.179 2.265 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.982 5.127 0.888 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.830 5.505 -0.377 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.547 8.722 1.025 1.00 0.78 H new ATOM 0 HD22 ASN A 37 19.004 7.723 -0.358 1.00 0.78 H new ATOM 251 N GLN A 38 16.276 4.180 -0.471 1.00 0.33 N ATOM 252 CA GLN A 38 14.941 4.405 -1.004 1.00 0.31 C ATOM 253 C GLN A 38 13.911 3.554 -0.273 1.00 0.26 C ATOM 254 O GLN A 38 12.806 4.014 0.011 1.00 0.25 O ATOM 255 CB GLN A 38 14.920 4.079 -2.493 1.00 0.36 C ATOM 256 CG GLN A 38 13.957 4.934 -3.296 1.00 0.46 C ATOM 257 CD GLN A 38 13.848 4.465 -4.727 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.088 3.549 -5.036 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.605 5.095 -5.608 1.00 0.55 N ATOM 0 H GLN A 38 16.923 3.750 -1.132 1.00 0.33 H new ATOM 0 HA GLN A 38 14.684 5.454 -0.856 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.925 4.204 -2.897 1.00 0.36 H new ATOM 0 HB3 GLN A 38 14.653 3.030 -2.622 1.00 0.36 H new ATOM 0 HG2 GLN A 38 12.972 4.908 -2.829 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.291 5.971 -3.278 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.221 5.850 -5.304 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.574 4.827 -6.592 1.00 0.55 H new ATOM 268 N LEU A 39 14.286 2.314 0.038 1.00 0.28 N ATOM 269 CA LEU A 39 13.384 1.388 0.718 1.00 0.31 C ATOM 270 C LEU A 39 12.960 1.942 2.073 1.00 0.29 C ATOM 271 O LEU A 39 11.770 2.137 2.335 1.00 0.30 O ATOM 272 CB LEU A 39 14.051 0.023 0.908 1.00 0.38 C ATOM 273 CG LEU A 39 13.262 -0.967 1.768 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.593 -2.019 0.895 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.172 -1.624 2.794 1.00 0.80 C ATOM 0 H LEU A 39 15.207 1.929 -0.170 1.00 0.28 H new ATOM 0 HA LEU A 39 12.499 1.267 0.093 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.218 -0.423 -0.073 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.031 0.174 1.361 1.00 0.38 H new ATOM 0 HG LEU A 39 12.485 -0.418 2.299 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.037 -2.714 1.524 1.00 0.63 H new ATOM 0 HD12 LEU A 39 11.909 -1.533 0.199 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.353 -2.565 0.336 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.594 -2.325 3.397 1.00 0.80 H new ATOM 0 HD22 LEU A 39 14.971 -2.159 2.282 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.603 -0.860 3.440 1.00 0.80 H new ATOM 287 N GLN A 40 13.942 2.199 2.929 1.00 0.29 N ATOM 288 CA GLN A 40 13.672 2.733 4.258 1.00 0.30 C ATOM 289 C GLN A 40 13.112 4.152 4.174 1.00 0.26 C ATOM 290 O GLN A 40 12.381 4.591 5.067 1.00 0.28 O ATOM 291 CB GLN A 40 14.935 2.705 5.119 1.00 0.36 C ATOM 292 CG GLN A 40 15.114 1.393 5.871 1.00 0.42 C ATOM 293 CD GLN A 40 16.097 1.494 7.022 1.00 0.72 C ATOM 294 OE1 GLN A 40 17.301 1.305 6.845 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.595 1.776 8.212 1.00 0.83 N ATOM 0 H GLN A 40 14.930 2.047 2.727 1.00 0.29 H new ATOM 0 HA GLN A 40 12.920 2.099 4.728 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.805 2.875 4.484 1.00 0.36 H new ATOM 0 HB3 GLN A 40 14.898 3.526 5.835 1.00 0.36 H new ATOM 0 HG2 GLN A 40 14.147 1.067 6.255 1.00 0.42 H new ATOM 0 HG3 GLN A 40 15.456 0.627 5.175 1.00 0.42 H new ATOM 0 HE21 GLN A 40 14.592 1.926 8.320 1.00 0.83 H new ATOM 0 HE22 GLN A 40 16.211 1.843 9.022 1.00 0.83 H new ATOM 304 N TYR A 41 13.454 4.856 3.096 1.00 0.25 N ATOM 305 CA TYR A 41 12.930 6.185 2.848 1.00 0.24 C ATOM 306 C TYR A 41 11.419 6.144 2.735 1.00 0.22 C ATOM 307 O TYR A 41 10.720 6.705 3.562 1.00 0.23 O ATOM 308 CB TYR A 41 13.527 6.755 1.559 1.00 0.24 C ATOM 309 CG TYR A 41 13.137 8.184 1.285 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.988 8.484 0.571 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.917 9.231 1.747 1.00 0.42 C ATOM 312 CE1 TYR A 41 11.625 9.789 0.322 1.00 0.44 C ATOM 313 CE2 TYR A 41 13.565 10.542 1.503 1.00 0.52 C ATOM 314 CZ TYR A 41 12.417 10.818 0.791 1.00 0.53 C ATOM 315 OH TYR A 41 12.057 12.125 0.548 1.00 0.64 O ATOM 0 H TYR A 41 14.097 4.519 2.379 1.00 0.25 H new ATOM 0 HA TYR A 41 13.206 6.826 3.685 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.614 6.689 1.614 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.212 6.135 0.719 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.367 7.681 0.203 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.815 9.017 2.307 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.727 10.006 -0.237 1.00 0.44 H new ATOM 0 HE2 TYR A 41 14.185 11.348 1.868 1.00 0.52 H new ATOM 0 HH TYR A 41 12.419 12.409 -0.317 1.00 0.64 H new ATOM 325 N MET A 42 10.918 5.446 1.725 1.00 0.20 N ATOM 326 CA MET A 42 9.496 5.430 1.444 1.00 0.20 C ATOM 327 C MET A 42 8.711 4.878 2.629 1.00 0.21 C ATOM 328 O MET A 42 7.559 5.254 2.843 1.00 0.22 O ATOM 329 CB MET A 42 9.223 4.623 0.165 1.00 0.23 C ATOM 330 CG MET A 42 8.409 3.353 0.371 1.00 0.80 C ATOM 331 SD MET A 42 7.539 2.842 -1.123 1.00 1.07 S ATOM 332 CE MET A 42 6.711 4.365 -1.567 1.00 1.13 C ATOM 0 H MET A 42 11.480 4.883 1.087 1.00 0.20 H new ATOM 0 HA MET A 42 9.159 6.454 1.282 1.00 0.20 H new ATOM 0 HB2 MET A 42 8.699 5.262 -0.546 1.00 0.23 H new ATOM 0 HB3 MET A 42 10.177 4.356 -0.290 1.00 0.23 H new ATOM 0 HG2 MET A 42 9.071 2.550 0.695 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.687 3.514 1.171 1.00 0.80 H new ATOM 0 HE1 MET A 42 5.815 4.137 -2.144 1.00 1.13 H new ATOM 0 HE2 MET A 42 6.432 4.905 -0.662 1.00 1.13 H new ATOM 0 HE3 MET A 42 7.381 4.982 -2.166 1.00 1.13 H new ATOM 342 N GLN A 43 9.346 4.006 3.404 1.00 0.24 N ATOM 343 CA GLN A 43 8.721 3.445 4.595 1.00 0.30 C ATOM 344 C GLN A 43 8.407 4.535 5.624 1.00 0.30 C ATOM 345 O GLN A 43 7.265 4.692 6.053 1.00 0.33 O ATOM 346 CB GLN A 43 9.625 2.381 5.219 1.00 0.42 C ATOM 347 CG GLN A 43 8.923 1.540 6.275 1.00 0.84 C ATOM 348 CD GLN A 43 9.879 0.926 7.278 1.00 0.76 C ATOM 349 OE1 GLN A 43 9.662 1.006 8.486 1.00 1.30 O ATOM 350 NE2 GLN A 43 10.944 0.307 6.789 1.00 0.54 N ATOM 0 H GLN A 43 10.294 3.672 3.228 1.00 0.24 H new ATOM 0 HA GLN A 43 7.781 2.983 4.292 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.000 1.726 4.433 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.491 2.868 5.668 1.00 0.42 H new ATOM 0 HG2 GLN A 43 8.200 2.161 6.804 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.361 0.745 5.784 1.00 0.84 H new ATOM 0 HE21 GLN A 43 11.089 0.262 5.780 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.618 -0.124 7.421 1.00 0.54 H new ATOM 359 N ASN A 44 9.418 5.287 6.018 1.00 0.30 N ATOM 360 CA ASN A 44 9.241 6.304 7.051 1.00 0.33 C ATOM 361 C ASN A 44 8.771 7.625 6.472 1.00 0.31 C ATOM 362 O ASN A 44 8.144 8.426 7.159 1.00 0.34 O ATOM 363 CB ASN A 44 10.539 6.510 7.831 1.00 0.37 C ATOM 364 CG ASN A 44 10.893 5.316 8.695 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.299 5.103 9.756 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.854 4.522 8.246 1.00 0.47 N ATOM 0 H ASN A 44 10.365 5.218 5.645 1.00 0.30 H new ATOM 0 HA ASN A 44 8.468 5.942 7.728 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.353 6.702 7.132 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.444 7.395 8.461 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.128 3.699 8.783 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.320 4.734 7.364 1.00 0.47 H new ATOM 373 N VAL A 45 9.092 7.867 5.221 1.00 0.27 N ATOM 374 CA VAL A 45 8.732 9.117 4.586 1.00 0.27 C ATOM 375 C VAL A 45 7.355 9.050 3.938 1.00 0.24 C ATOM 376 O VAL A 45 6.470 9.813 4.290 1.00 0.28 O ATOM 377 CB VAL A 45 9.773 9.517 3.526 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.343 10.774 2.790 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.139 9.702 4.167 1.00 0.30 C ATOM 0 H VAL A 45 9.601 7.216 4.623 1.00 0.27 H new ATOM 0 HA VAL A 45 8.707 9.871 5.373 1.00 0.27 H new ATOM 0 HB VAL A 45 9.844 8.712 2.795 1.00 0.26 H new ATOM 0 HG11 VAL A 45 10.096 11.036 2.046 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.389 10.597 2.294 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.235 11.593 3.501 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.864 9.985 3.404 1.00 0.30 H new ATOM 0 HG22 VAL A 45 11.083 10.486 4.922 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.451 8.768 4.635 1.00 0.30 H new ATOM 389 N VAL A 46 7.175 8.105 3.021 1.00 0.19 N ATOM 390 CA VAL A 46 5.990 8.083 2.169 1.00 0.19 C ATOM 391 C VAL A 46 4.787 7.447 2.864 1.00 0.19 C ATOM 392 O VAL A 46 3.782 8.118 3.114 1.00 0.19 O ATOM 393 CB VAL A 46 6.259 7.347 0.836 1.00 0.20 C ATOM 394 CG1 VAL A 46 5.013 7.345 -0.039 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.423 7.989 0.095 1.00 0.22 C ATOM 0 H VAL A 46 7.833 7.345 2.848 1.00 0.19 H new ATOM 0 HA VAL A 46 5.754 9.126 1.959 1.00 0.19 H new ATOM 0 HB VAL A 46 6.521 6.314 1.066 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.224 6.822 -0.972 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.202 6.839 0.485 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.720 8.372 -0.257 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.597 7.457 -0.840 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.188 9.032 -0.119 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.320 7.939 0.713 1.00 0.22 H new ATOM 405 N VAL A 47 4.876 6.159 3.183 1.00 0.20 N ATOM 406 CA VAL A 47 3.723 5.460 3.754 1.00 0.23 C ATOM 407 C VAL A 47 3.390 6.000 5.148 1.00 0.23 C ATOM 408 O VAL A 47 2.225 6.037 5.537 1.00 0.25 O ATOM 409 CB VAL A 47 3.899 3.912 3.776 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.322 3.513 4.097 1.00 0.70 C ATOM 411 CG2 VAL A 47 2.930 3.243 4.746 1.00 0.83 C ATOM 0 H VAL A 47 5.712 5.587 3.061 1.00 0.20 H new ATOM 0 HA VAL A 47 2.879 5.662 3.094 1.00 0.23 H new ATOM 0 HB VAL A 47 3.667 3.561 2.771 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.403 2.426 4.103 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.994 3.923 3.343 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.597 3.902 5.077 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.086 2.164 4.730 1.00 0.83 H new ATOM 0 HG22 VAL A 47 3.105 3.620 5.753 1.00 0.83 H new ATOM 0 HG23 VAL A 47 1.905 3.466 4.448 1.00 0.83 H new ATOM 421 N LYS A 48 4.401 6.461 5.879 1.00 0.26 N ATOM 422 CA LYS A 48 4.169 7.043 7.198 1.00 0.30 C ATOM 423 C LYS A 48 3.292 8.297 7.107 1.00 0.28 C ATOM 424 O LYS A 48 2.390 8.482 7.921 1.00 0.33 O ATOM 425 CB LYS A 48 5.491 7.378 7.884 1.00 0.36 C ATOM 426 CG LYS A 48 5.656 6.728 9.251 1.00 0.53 C ATOM 427 CD LYS A 48 6.848 7.302 10.001 1.00 1.25 C ATOM 428 CE LYS A 48 6.967 6.715 11.399 1.00 1.79 C ATOM 429 NZ LYS A 48 8.386 6.542 11.808 1.00 2.40 N ATOM 0 H LYS A 48 5.378 6.444 5.585 1.00 0.26 H new ATOM 0 HA LYS A 48 3.642 6.299 7.796 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.313 7.064 7.241 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.568 8.460 7.995 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.750 6.877 9.838 1.00 0.53 H new ATOM 0 HG3 LYS A 48 5.784 5.652 9.130 1.00 0.53 H new ATOM 0 HD2 LYS A 48 7.762 7.100 9.442 1.00 1.25 H new ATOM 0 HD3 LYS A 48 6.749 8.385 10.068 1.00 1.25 H new ATOM 0 HE2 LYS A 48 6.461 7.367 12.111 1.00 1.79 H new ATOM 0 HE3 LYS A 48 6.459 5.751 11.433 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 8.430 5.974 12.678 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 8.909 6.057 11.051 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 8.813 7.474 11.982 1.00 2.40 H new ATOM 443 N THR A 49 3.546 9.155 6.116 1.00 0.23 N ATOM 444 CA THR A 49 2.755 10.364 5.951 1.00 0.24 C ATOM 445 C THR A 49 1.335 10.028 5.498 1.00 0.22 C ATOM 446 O THR A 49 0.377 10.705 5.872 1.00 0.24 O ATOM 447 CB THR A 49 3.405 11.338 4.948 1.00 0.28 C ATOM 448 OG1 THR A 49 3.968 10.629 3.843 1.00 0.55 O ATOM 449 CG2 THR A 49 4.488 12.164 5.626 1.00 0.52 C ATOM 0 H THR A 49 4.286 9.032 5.425 1.00 0.23 H new ATOM 0 HA THR A 49 2.713 10.854 6.924 1.00 0.24 H new ATOM 0 HB THR A 49 2.625 12.005 4.580 1.00 0.28 H new ATOM 0 HG1 THR A 49 3.499 9.776 3.728 1.00 0.55 H new ATOM 0 HG21 THR A 49 4.934 12.845 4.901 1.00 0.52 H new ATOM 0 HG22 THR A 49 4.050 12.739 6.442 1.00 0.52 H new ATOM 0 HG23 THR A 49 5.257 11.501 6.022 1.00 0.52 H new ATOM 457 N LEU A 50 1.212 8.969 4.702 1.00 0.20 N ATOM 458 CA LEU A 50 -0.092 8.490 4.257 1.00 0.21 C ATOM 459 C LEU A 50 -0.865 7.927 5.444 1.00 0.20 C ATOM 460 O LEU A 50 -2.062 8.165 5.596 1.00 0.21 O ATOM 461 CB LEU A 50 0.078 7.409 3.178 1.00 0.24 C ATOM 462 CG LEU A 50 -0.638 7.668 1.844 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.165 6.369 1.256 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.773 8.664 2.017 1.00 0.29 C ATOM 0 H LEU A 50 2.001 8.426 4.352 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.649 9.324 3.830 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.143 7.288 2.978 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -0.280 6.462 3.582 1.00 0.24 H new ATOM 0 HG LEU A 50 0.089 8.095 1.153 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.669 6.575 0.312 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.334 5.685 1.083 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.870 5.915 1.952 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.262 8.829 1.057 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.497 8.270 2.730 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.375 9.608 2.388 1.00 0.29 H new ATOM 476 N TRP A 51 -0.149 7.195 6.287 1.00 0.22 N ATOM 477 CA TRP A 51 -0.718 6.577 7.476 1.00 0.24 C ATOM 478 C TRP A 51 -1.329 7.618 8.411 1.00 0.26 C ATOM 479 O TRP A 51 -2.363 7.379 9.026 1.00 0.29 O ATOM 480 CB TRP A 51 0.375 5.801 8.214 1.00 0.27 C ATOM 481 CG TRP A 51 -0.145 4.728 9.118 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.558 4.876 10.410 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.297 3.342 8.800 1.00 0.29 C ATOM 484 NE1 TRP A 51 -0.964 3.666 10.915 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.814 2.708 9.945 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.048 2.576 7.657 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.088 1.344 9.978 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.319 1.222 7.692 1.00 0.37 C ATOM 489 CH2 TRP A 51 -0.834 0.619 8.846 1.00 0.39 C ATOM 0 H TRP A 51 0.847 7.013 6.164 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.513 5.901 7.162 1.00 0.24 H new ATOM 0 HB2 TRP A 51 1.045 5.351 7.481 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.969 6.501 8.802 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.564 5.808 10.955 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.319 3.505 11.858 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.349 3.035 6.763 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.487 0.875 10.865 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.131 0.619 6.816 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.035 -0.442 8.842 1.00 0.39 H new ATOM 500 N LYS A 52 -0.694 8.776 8.502 1.00 0.27 N ATOM 501 CA LYS A 52 -1.115 9.806 9.445 1.00 0.29 C ATOM 502 C LYS A 52 -2.261 10.652 8.895 1.00 0.30 C ATOM 503 O LYS A 52 -2.649 11.655 9.494 1.00 0.45 O ATOM 504 CB LYS A 52 0.068 10.694 9.806 1.00 0.33 C ATOM 505 CG LYS A 52 1.063 10.020 10.737 1.00 0.48 C ATOM 506 CD LYS A 52 2.483 10.516 10.497 1.00 1.13 C ATOM 507 CE LYS A 52 3.099 11.080 11.766 1.00 1.74 C ATOM 508 NZ LYS A 52 2.334 12.244 12.287 1.00 2.24 N ATOM 0 H LYS A 52 0.115 9.028 7.935 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.482 9.304 10.341 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.581 10.993 8.892 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.301 11.605 10.277 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.780 10.212 11.772 1.00 0.48 H new ATOM 0 HG3 LYS A 52 1.025 8.941 10.591 1.00 0.48 H new ATOM 0 HD2 LYS A 52 3.098 9.696 10.126 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.475 11.284 9.723 1.00 1.13 H new ATOM 0 HE2 LYS A 52 3.137 10.301 12.528 1.00 1.74 H new ATOM 0 HE3 LYS A 52 4.127 11.382 11.567 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 2.963 12.846 12.856 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 1.955 12.795 11.491 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 1.549 11.906 12.879 1.00 2.24 H new ATOM 522 N HIS A 53 -2.802 10.252 7.758 1.00 0.25 N ATOM 523 CA HIS A 53 -3.948 10.941 7.190 1.00 0.26 C ATOM 524 C HIS A 53 -5.238 10.334 7.728 1.00 0.31 C ATOM 525 O HIS A 53 -5.418 9.118 7.708 1.00 0.35 O ATOM 526 CB HIS A 53 -3.929 10.862 5.664 1.00 0.24 C ATOM 527 CG HIS A 53 -4.745 11.926 4.994 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.935 11.629 4.383 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.490 13.248 4.840 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.372 12.763 3.865 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.530 13.774 4.116 1.00 0.39 N ATOM 0 H HIS A 53 -2.469 9.458 7.212 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.897 11.991 7.479 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.898 10.936 5.318 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.299 9.884 5.355 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.632 13.785 5.216 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.293 12.862 3.309 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.640 14.746 3.826 1.00 0.39 H new ATOM 539 N GLN A 54 -6.143 11.188 8.184 1.00 0.42 N ATOM 540 CA GLN A 54 -7.377 10.732 8.819 1.00 0.54 C ATOM 541 C GLN A 54 -8.424 10.313 7.785 1.00 0.42 C ATOM 542 O GLN A 54 -9.621 10.290 8.070 1.00 0.47 O ATOM 543 CB GLN A 54 -7.938 11.828 9.722 1.00 0.79 C ATOM 544 CG GLN A 54 -7.787 11.528 11.203 1.00 1.09 C ATOM 545 CD GLN A 54 -6.337 11.394 11.629 1.00 1.24 C ATOM 546 OE1 GLN A 54 -5.654 12.388 11.871 1.00 1.91 O ATOM 547 NE2 GLN A 54 -5.861 10.164 11.729 1.00 1.21 N ATOM 0 H GLN A 54 -6.048 12.202 8.127 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.137 9.855 9.421 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.434 12.768 9.496 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.994 11.971 9.494 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -8.259 12.323 11.780 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -8.317 10.605 11.438 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -6.461 9.366 11.519 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -4.894 10.013 12.016 1.00 1.21 H new ATOM 556 N PHE A 55 -7.963 9.996 6.586 1.00 0.36 N ATOM 557 CA PHE A 55 -8.826 9.467 5.542 1.00 0.31 C ATOM 558 C PHE A 55 -8.251 8.153 5.018 1.00 0.27 C ATOM 559 O PHE A 55 -8.879 7.451 4.230 1.00 0.29 O ATOM 560 CB PHE A 55 -8.968 10.485 4.403 1.00 0.36 C ATOM 561 CG PHE A 55 -10.325 11.132 4.305 1.00 0.45 C ATOM 562 CD1 PHE A 55 -11.189 11.166 5.392 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.738 11.704 3.113 1.00 0.73 C ATOM 564 CE1 PHE A 55 -12.434 11.754 5.287 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.982 12.296 3.003 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.831 12.320 4.091 1.00 0.86 C ATOM 0 H PHE A 55 -6.986 10.097 6.310 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.816 9.279 5.957 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.217 11.264 4.534 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -8.749 9.987 3.459 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.883 10.727 6.330 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.079 11.687 2.258 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -13.097 11.771 6.139 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.289 12.739 2.067 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.804 12.781 4.007 1.00 0.86 H new ATOM 576 N ALA A 56 -7.055 7.816 5.487 1.00 0.25 N ATOM 577 CA ALA A 56 -6.389 6.583 5.082 1.00 0.25 C ATOM 578 C ALA A 56 -6.616 5.496 6.121 1.00 0.26 C ATOM 579 O ALA A 56 -6.012 4.424 6.072 1.00 0.28 O ATOM 580 CB ALA A 56 -4.903 6.826 4.884 1.00 0.28 C ATOM 0 H ALA A 56 -6.525 8.381 6.150 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.814 6.252 4.135 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.419 5.897 4.582 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.757 7.579 4.110 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.464 7.177 5.818 1.00 0.28 H new ATOM 586 N TRP A 57 -7.520 5.781 7.043 1.00 0.30 N ATOM 587 CA TRP A 57 -7.790 4.890 8.163 1.00 0.34 C ATOM 588 C TRP A 57 -8.471 3.563 7.759 1.00 0.35 C ATOM 589 O TRP A 57 -8.233 2.549 8.413 1.00 0.40 O ATOM 590 CB TRP A 57 -8.602 5.614 9.250 1.00 0.37 C ATOM 591 CG TRP A 57 -9.975 6.033 8.830 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.317 7.175 8.166 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.195 5.318 9.056 1.00 0.42 C ATOM 594 NE1 TRP A 57 -11.673 7.213 7.964 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.234 6.083 8.500 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.507 4.103 9.672 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -13.562 5.674 8.541 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -12.827 3.697 9.711 1.00 0.54 C ATOM 599 CH2 TRP A 57 -13.840 4.481 9.148 1.00 0.58 C ATOM 0 H TRP A 57 -8.085 6.630 7.039 1.00 0.30 H new ATOM 0 HA TRP A 57 -6.816 4.612 8.565 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -8.686 4.960 10.118 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.049 6.497 9.569 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -9.622 7.937 7.846 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.181 7.961 7.492 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -10.731 3.493 10.109 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.346 6.277 8.109 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.081 2.760 10.184 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -14.863 4.137 9.194 1.00 0.58 H new ATOM 610 N PRO A 58 -9.325 3.502 6.698 1.00 0.34 N ATOM 611 CA PRO A 58 -9.944 2.233 6.289 1.00 0.40 C ATOM 612 C PRO A 58 -8.924 1.257 5.710 1.00 0.36 C ATOM 613 O PRO A 58 -9.211 0.073 5.547 1.00 0.45 O ATOM 614 CB PRO A 58 -10.961 2.636 5.213 1.00 0.47 C ATOM 615 CG PRO A 58 -11.100 4.112 5.320 1.00 0.40 C ATOM 616 CD PRO A 58 -9.787 4.612 5.841 1.00 0.32 C ATOM 0 HA PRO A 58 -10.395 1.719 7.138 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.616 2.347 4.220 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -11.918 2.140 5.374 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.329 4.554 4.350 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -11.915 4.380 5.993 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.084 4.818 5.033 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -9.903 5.537 6.406 1.00 0.32 H new ATOM 624 N PHE A 59 -7.732 1.762 5.408 1.00 0.31 N ATOM 625 CA PHE A 59 -6.678 0.944 4.819 1.00 0.31 C ATOM 626 C PHE A 59 -5.613 0.593 5.858 1.00 0.31 C ATOM 627 O PHE A 59 -4.541 0.095 5.519 1.00 0.52 O ATOM 628 CB PHE A 59 -6.035 1.687 3.642 1.00 0.36 C ATOM 629 CG PHE A 59 -6.726 1.477 2.324 1.00 0.47 C ATOM 630 CD1 PHE A 59 -7.206 0.224 1.979 1.00 0.92 C ATOM 631 CD2 PHE A 59 -6.907 2.526 1.437 1.00 0.68 C ATOM 632 CE1 PHE A 59 -7.853 0.023 0.774 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.552 2.331 0.232 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.982 1.102 -0.128 1.00 0.95 C ATOM 0 H PHE A 59 -7.472 2.736 5.562 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.125 0.017 4.460 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.021 2.754 3.865 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -4.997 1.367 3.549 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -7.073 -0.605 2.659 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -6.539 3.509 1.692 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -8.255 -0.948 0.525 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -7.714 3.169 -0.429 1.00 0.87 H new ATOM 0 HZ PHE A 59 -8.423 0.945 -1.102 1.00 0.95 H new ATOM 644 N TYR A 60 -5.921 0.859 7.124 1.00 0.35 N ATOM 645 CA TYR A 60 -4.987 0.598 8.219 1.00 0.39 C ATOM 646 C TYR A 60 -4.734 -0.894 8.391 1.00 0.45 C ATOM 647 O TYR A 60 -3.599 -1.327 8.591 1.00 0.63 O ATOM 648 CB TYR A 60 -5.542 1.147 9.533 1.00 0.46 C ATOM 649 CG TYR A 60 -5.107 2.555 9.867 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.648 3.422 8.886 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.171 3.018 11.173 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.265 4.711 9.200 1.00 0.31 C ATOM 653 CE2 TYR A 60 -4.795 4.304 11.494 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.341 5.146 10.506 1.00 0.45 C ATOM 655 OH TYR A 60 -3.973 6.431 10.829 1.00 0.58 O ATOM 0 H TYR A 60 -6.813 1.256 7.419 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.049 1.094 7.968 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.631 1.119 9.491 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.237 0.486 10.344 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.589 3.084 7.862 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -5.522 2.358 11.953 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.908 5.375 8.427 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -4.856 4.649 12.516 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.690 6.904 10.019 1.00 0.58 H new ATOM 665 N GLN A 61 -5.804 -1.672 8.333 1.00 0.46 N ATOM 666 CA GLN A 61 -5.716 -3.103 8.575 1.00 0.55 C ATOM 667 C GLN A 61 -5.589 -3.856 7.262 1.00 0.56 C ATOM 668 O GLN A 61 -6.329 -3.584 6.318 1.00 0.57 O ATOM 669 CB GLN A 61 -6.945 -3.602 9.344 1.00 0.65 C ATOM 670 CG GLN A 61 -7.499 -2.593 10.338 1.00 0.71 C ATOM 671 CD GLN A 61 -9.013 -2.638 10.437 1.00 1.09 C ATOM 672 OE1 GLN A 61 -9.568 -2.877 11.507 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.691 -2.414 9.322 1.00 1.63 N ATOM 0 H GLN A 61 -6.743 -1.336 8.120 1.00 0.46 H new ATOM 0 HA GLN A 61 -4.828 -3.289 9.179 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -7.727 -3.862 8.631 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -6.682 -4.516 9.877 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -7.069 -2.784 11.321 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.188 -1.591 10.043 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -9.194 -2.219 8.453 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.711 -2.436 9.332 1.00 1.63 H new ATOM 682 N PRO A 62 -4.648 -4.809 7.192 1.00 0.63 N ATOM 683 CA PRO A 62 -4.415 -5.607 5.985 1.00 0.68 C ATOM 684 C PRO A 62 -5.641 -6.421 5.586 1.00 0.69 C ATOM 685 O PRO A 62 -6.274 -7.072 6.426 1.00 0.77 O ATOM 686 CB PRO A 62 -3.259 -6.534 6.378 1.00 0.78 C ATOM 687 CG PRO A 62 -3.229 -6.529 7.865 1.00 0.87 C ATOM 688 CD PRO A 62 -3.736 -5.182 8.285 1.00 0.73 C ATOM 0 HA PRO A 62 -4.194 -4.980 5.121 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -3.416 -7.541 5.993 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -2.314 -6.179 5.966 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -3.854 -7.325 8.270 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -2.218 -6.698 8.235 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -4.254 -5.228 9.243 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -2.924 -4.463 8.395 1.00 0.73 H new ATOM 696 N VAL A 63 -5.979 -6.376 4.305 1.00 0.66 N ATOM 697 CA VAL A 63 -7.117 -7.117 3.793 1.00 0.69 C ATOM 698 C VAL A 63 -6.848 -8.620 3.834 1.00 0.77 C ATOM 699 O VAL A 63 -5.960 -9.141 3.156 1.00 0.88 O ATOM 700 CB VAL A 63 -7.509 -6.658 2.368 1.00 0.73 C ATOM 701 CG1 VAL A 63 -8.037 -7.814 1.538 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.554 -5.556 2.450 1.00 0.75 C ATOM 0 H VAL A 63 -5.479 -5.832 3.602 1.00 0.66 H new ATOM 0 HA VAL A 63 -7.966 -6.905 4.443 1.00 0.69 H new ATOM 0 HB VAL A 63 -6.614 -6.276 1.878 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -8.303 -7.456 0.543 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -7.268 -8.582 1.454 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -8.919 -8.235 2.020 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.826 -5.237 1.444 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.439 -5.931 2.963 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -8.147 -4.709 3.002 1.00 0.75 H new ATOM 712 N ASP A 64 -7.604 -9.296 4.683 1.00 0.79 N ATOM 713 CA ASP A 64 -7.535 -10.745 4.820 1.00 0.93 C ATOM 714 C ASP A 64 -8.814 -11.370 4.258 1.00 1.00 C ATOM 715 O ASP A 64 -8.959 -12.593 4.201 1.00 1.51 O ATOM 716 CB ASP A 64 -7.339 -11.091 6.311 1.00 1.02 C ATOM 717 CG ASP A 64 -7.841 -12.468 6.708 1.00 1.29 C ATOM 718 OD1 ASP A 64 -9.046 -12.605 7.012 1.00 1.85 O ATOM 719 OD2 ASP A 64 -7.030 -13.418 6.736 1.00 1.42 O ATOM 0 H ASP A 64 -8.286 -8.855 5.300 1.00 0.79 H new ATOM 0 HA ASP A 64 -6.693 -11.148 4.257 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -6.278 -11.022 6.551 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.852 -10.343 6.915 1.00 1.02 H new ATOM 724 N ALA A 65 -9.708 -10.488 3.791 1.00 0.94 N ATOM 725 CA ALA A 65 -11.071 -10.845 3.381 1.00 0.94 C ATOM 726 C ALA A 65 -11.954 -11.024 4.606 1.00 1.03 C ATOM 727 O ALA A 65 -12.757 -10.160 4.930 1.00 1.29 O ATOM 728 CB ALA A 65 -11.115 -12.088 2.498 1.00 0.96 C ATOM 0 H ALA A 65 -9.501 -9.495 3.686 1.00 0.94 H new ATOM 0 HA ALA A 65 -11.452 -10.022 2.777 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -12.148 -12.304 2.226 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -10.530 -11.914 1.595 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -10.698 -12.936 3.042 1.00 0.96 H new ATOM 734 N ILE A 66 -11.754 -12.111 5.323 1.00 1.03 N ATOM 735 CA ILE A 66 -12.634 -12.470 6.433 1.00 1.14 C ATOM 736 C ILE A 66 -12.498 -11.490 7.598 1.00 1.13 C ATOM 737 O ILE A 66 -13.499 -11.035 8.157 1.00 1.19 O ATOM 738 CB ILE A 66 -12.357 -13.907 6.931 1.00 1.24 C ATOM 739 CG1 ILE A 66 -12.483 -14.908 5.774 1.00 1.35 C ATOM 740 CG2 ILE A 66 -13.308 -14.278 8.063 1.00 1.37 C ATOM 741 CD1 ILE A 66 -13.769 -14.775 4.984 1.00 1.89 C ATOM 0 H ILE A 66 -10.990 -12.767 5.162 1.00 1.03 H new ATOM 0 HA ILE A 66 -13.654 -12.420 6.052 1.00 1.14 H new ATOM 0 HB ILE A 66 -11.338 -13.946 7.315 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -11.638 -14.776 5.098 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -12.416 -15.920 6.173 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -13.096 -15.293 8.399 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -13.173 -13.585 8.894 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -14.337 -14.221 7.707 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -13.783 -15.516 4.185 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -14.620 -14.938 5.645 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -13.830 -13.776 4.553 1.00 1.89 H new ATOM 753 N LYS A 67 -11.263 -11.145 7.941 1.00 1.10 N ATOM 754 CA LYS A 67 -10.994 -10.267 9.079 1.00 1.15 C ATOM 755 C LYS A 67 -11.578 -8.864 8.882 1.00 1.13 C ATOM 756 O LYS A 67 -11.777 -8.127 9.847 1.00 1.27 O ATOM 757 CB LYS A 67 -9.490 -10.176 9.332 1.00 1.21 C ATOM 758 CG LYS A 67 -9.128 -9.760 10.749 1.00 1.50 C ATOM 759 CD LYS A 67 -9.606 -10.782 11.767 1.00 1.90 C ATOM 760 CE LYS A 67 -9.158 -10.420 13.171 1.00 2.46 C ATOM 761 NZ LYS A 67 -10.307 -10.081 14.049 1.00 2.99 N ATOM 0 H LYS A 67 -10.428 -11.460 7.447 1.00 1.10 H new ATOM 0 HA LYS A 67 -11.485 -10.706 9.947 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.037 -11.145 9.121 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -9.056 -9.462 8.632 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -8.047 -9.642 10.830 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -9.572 -8.789 10.970 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -10.694 -10.846 11.736 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -9.221 -11.767 11.504 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -8.605 -11.255 13.602 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -8.473 -9.573 13.126 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -9.959 -9.840 14.999 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -10.820 -9.268 13.651 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -10.948 -10.897 14.112 1.00 2.99 H new ATOM 775 N LEU A 68 -11.860 -8.494 7.641 1.00 1.02 N ATOM 776 CA LEU A 68 -12.412 -7.175 7.359 1.00 1.03 C ATOM 777 C LEU A 68 -13.832 -7.277 6.820 1.00 1.05 C ATOM 778 O LEU A 68 -14.395 -6.292 6.341 1.00 1.10 O ATOM 779 CB LEU A 68 -11.533 -6.426 6.363 1.00 1.02 C ATOM 780 CG LEU A 68 -11.218 -4.977 6.745 1.00 1.07 C ATOM 781 CD1 LEU A 68 -9.726 -4.788 6.952 1.00 1.61 C ATOM 782 CD2 LEU A 68 -11.736 -4.018 5.685 1.00 1.66 C ATOM 0 H LEU A 68 -11.718 -9.082 6.820 1.00 1.02 H new ATOM 0 HA LEU A 68 -12.438 -6.621 8.297 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -10.595 -6.969 6.249 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -12.025 -6.431 5.390 1.00 1.02 H new ATOM 0 HG LEU A 68 -11.724 -4.755 7.685 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -9.525 -3.752 7.223 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -9.384 -5.445 7.752 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -9.197 -5.032 6.031 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -11.502 -2.994 5.975 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -11.262 -4.241 4.729 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -12.816 -4.130 5.589 1.00 1.66 H new ATOM 794 N ASN A 69 -14.394 -8.479 6.895 1.00 1.06 N ATOM 795 CA ASN A 69 -15.760 -8.740 6.435 1.00 1.12 C ATOM 796 C ASN A 69 -15.889 -8.452 4.942 1.00 1.09 C ATOM 797 O ASN A 69 -16.869 -7.869 4.480 1.00 1.15 O ATOM 798 CB ASN A 69 -16.762 -7.917 7.238 1.00 1.24 C ATOM 799 CG ASN A 69 -17.978 -8.719 7.656 1.00 1.34 C ATOM 800 OD1 ASN A 69 -19.099 -8.452 7.226 1.00 1.74 O ATOM 801 ND2 ASN A 69 -17.766 -9.699 8.519 1.00 1.55 N ATOM 0 H ASN A 69 -13.920 -9.299 7.274 1.00 1.06 H new ATOM 0 HA ASN A 69 -15.982 -9.795 6.595 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.271 -7.521 8.127 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -17.083 -7.062 6.643 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -18.548 -10.264 8.851 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -16.821 -9.889 8.852 1.00 1.55 H new ATOM 808 N LEU A 70 -14.879 -8.884 4.200 1.00 1.04 N ATOM 809 CA LEU A 70 -14.767 -8.628 2.770 1.00 1.01 C ATOM 810 C LEU A 70 -14.742 -9.942 1.990 1.00 0.99 C ATOM 811 O LEU A 70 -13.694 -10.345 1.492 1.00 0.95 O ATOM 812 CB LEU A 70 -13.464 -7.868 2.487 1.00 1.01 C ATOM 813 CG LEU A 70 -13.585 -6.375 2.193 1.00 1.13 C ATOM 814 CD1 LEU A 70 -14.753 -5.749 2.940 1.00 1.61 C ATOM 815 CD2 LEU A 70 -12.284 -5.692 2.564 1.00 1.54 C ATOM 0 H LEU A 70 -14.104 -9.429 4.579 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.628 -8.038 2.457 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.805 -7.992 3.347 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -12.972 -8.342 1.638 1.00 1.01 H new ATOM 0 HG LEU A 70 -13.780 -6.242 1.129 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -14.807 -4.686 2.706 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -15.681 -6.235 2.638 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -14.609 -5.877 4.013 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -12.362 -4.625 2.357 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -12.084 -5.842 3.625 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -11.470 -6.117 1.977 1.00 1.54 H new ATOM 827 N PRO A 71 -15.885 -10.628 1.861 1.00 1.06 N ATOM 828 CA PRO A 71 -15.930 -11.928 1.196 1.00 1.11 C ATOM 829 C PRO A 71 -15.936 -11.818 -0.331 1.00 1.05 C ATOM 830 O PRO A 71 -15.351 -12.648 -1.024 1.00 1.09 O ATOM 831 CB PRO A 71 -17.243 -12.524 1.703 1.00 1.28 C ATOM 832 CG PRO A 71 -18.120 -11.353 1.990 1.00 1.30 C ATOM 833 CD PRO A 71 -17.212 -10.205 2.350 1.00 1.18 C ATOM 0 HA PRO A 71 -15.051 -12.532 1.418 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -17.692 -13.179 0.956 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -17.083 -13.125 2.598 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.730 -11.105 1.121 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.805 -11.575 2.808 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.535 -9.278 1.876 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.202 -10.027 3.425 1.00 1.18 H new ATOM 841 N ASP A 72 -16.580 -10.777 -0.849 1.00 1.04 N ATOM 842 CA ASP A 72 -16.710 -10.600 -2.294 1.00 1.07 C ATOM 843 C ASP A 72 -15.539 -9.798 -2.848 1.00 0.94 C ATOM 844 O ASP A 72 -15.462 -9.521 -4.044 1.00 0.95 O ATOM 845 CB ASP A 72 -18.030 -9.901 -2.625 1.00 1.24 C ATOM 846 CG ASP A 72 -18.718 -10.497 -3.837 1.00 1.49 C ATOM 847 OD1 ASP A 72 -19.100 -11.687 -3.783 1.00 1.93 O ATOM 848 OD2 ASP A 72 -18.882 -9.779 -4.843 1.00 1.97 O ATOM 0 H ASP A 72 -17.020 -10.044 -0.293 1.00 1.04 H new ATOM 0 HA ASP A 72 -16.704 -11.585 -2.761 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -18.697 -9.966 -1.765 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.841 -8.842 -2.803 1.00 1.24 H new ATOM 853 N TYR A 73 -14.619 -9.447 -1.962 1.00 0.87 N ATOM 854 CA TYR A 73 -13.449 -8.657 -2.319 1.00 0.79 C ATOM 855 C TYR A 73 -12.583 -9.391 -3.333 1.00 0.74 C ATOM 856 O TYR A 73 -12.242 -8.849 -4.387 1.00 0.73 O ATOM 857 CB TYR A 73 -12.634 -8.368 -1.062 1.00 0.78 C ATOM 858 CG TYR A 73 -11.781 -7.125 -1.142 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.356 -5.863 -1.078 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.405 -7.212 -1.301 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.584 -4.723 -1.169 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.627 -6.077 -1.397 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.204 -4.842 -1.247 1.00 0.94 C ATOM 864 OH TYR A 73 -9.449 -3.705 -1.428 1.00 1.13 O ATOM 0 H TYR A 73 -14.662 -9.702 -0.975 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.784 -7.723 -2.770 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.315 -8.272 -0.216 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -11.990 -9.223 -0.857 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.425 -5.772 -0.955 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.936 -8.184 -1.350 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.049 -3.748 -1.179 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.568 -6.161 -1.590 1.00 0.90 H new ATOM 0 HH TYR A 73 -9.557 -3.384 -2.348 1.00 1.13 H new ATOM 874 N HIS A 74 -12.273 -10.640 -3.021 1.00 0.79 N ATOM 875 CA HIS A 74 -11.358 -11.441 -3.827 1.00 0.80 C ATOM 876 C HIS A 74 -12.024 -11.931 -5.110 1.00 0.85 C ATOM 877 O HIS A 74 -11.422 -12.669 -5.891 1.00 0.91 O ATOM 878 CB HIS A 74 -10.849 -12.638 -3.016 1.00 0.89 C ATOM 879 CG HIS A 74 -10.033 -12.265 -1.811 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.768 -10.955 -1.491 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.452 -13.067 -0.888 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.037 -10.990 -0.393 1.00 0.78 C ATOM 883 NE2 HIS A 74 -8.817 -12.249 0.010 1.00 0.82 N ATOM 0 H HIS A 74 -12.646 -11.127 -2.206 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.517 -10.805 -4.104 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -11.703 -13.232 -2.692 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -10.247 -13.273 -3.666 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -9.483 -14.146 -0.864 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.663 -10.114 0.117 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -8.281 -12.542 0.827 1.00 0.82 H new ATOM 891 N LYS A 75 -13.268 -11.522 -5.326 1.00 0.89 N ATOM 892 CA LYS A 75 -13.999 -11.902 -6.521 1.00 0.97 C ATOM 893 C LYS A 75 -13.762 -10.882 -7.622 1.00 0.92 C ATOM 894 O LYS A 75 -13.877 -11.184 -8.809 1.00 1.11 O ATOM 895 CB LYS A 75 -15.492 -11.992 -6.221 1.00 1.09 C ATOM 896 CG LYS A 75 -15.890 -13.258 -5.488 1.00 1.20 C ATOM 897 CD LYS A 75 -17.305 -13.669 -5.842 1.00 1.68 C ATOM 898 CE LYS A 75 -17.887 -14.609 -4.804 1.00 2.05 C ATOM 899 NZ LYS A 75 -19.287 -14.246 -4.460 1.00 2.86 N ATOM 0 H LYS A 75 -13.790 -10.925 -4.685 1.00 0.89 H new ATOM 0 HA LYS A 75 -13.643 -12.878 -6.851 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.786 -11.129 -5.624 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -16.046 -11.935 -7.158 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -15.200 -14.062 -5.743 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -15.812 -13.099 -4.412 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -17.933 -12.782 -5.924 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -17.311 -14.155 -6.818 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -17.858 -15.631 -5.181 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -17.272 -14.584 -3.904 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -19.731 -15.029 -3.939 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -19.288 -13.391 -3.867 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -19.823 -14.063 -5.333 1.00 2.86 H new ATOM 913 N ILE A 76 -13.435 -9.667 -7.214 1.00 0.78 N ATOM 914 CA ILE A 76 -13.210 -8.587 -8.153 1.00 0.77 C ATOM 915 C ILE A 76 -11.743 -8.187 -8.155 1.00 0.69 C ATOM 916 O ILE A 76 -11.130 -8.026 -9.212 1.00 0.78 O ATOM 917 CB ILE A 76 -14.083 -7.355 -7.817 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.569 -7.721 -7.887 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.780 -6.205 -8.768 1.00 0.87 C ATOM 920 CD1 ILE A 76 -16.341 -7.370 -6.635 1.00 1.00 C ATOM 0 H ILE A 76 -13.320 -9.406 -6.235 1.00 0.78 H new ATOM 0 HA ILE A 76 -13.491 -8.947 -9.143 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.847 -7.035 -6.802 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -16.020 -7.209 -8.737 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -15.662 -8.791 -8.073 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.405 -5.349 -8.514 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.730 -5.927 -8.680 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.988 -6.515 -9.792 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -17.385 -7.658 -6.758 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.916 -7.902 -5.784 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -16.280 -6.296 -6.459 1.00 1.00 H new ATOM 932 N ILE A 77 -11.178 -8.043 -6.964 1.00 0.58 N ATOM 933 CA ILE A 77 -9.791 -7.642 -6.830 1.00 0.53 C ATOM 934 C ILE A 77 -8.899 -8.868 -6.689 1.00 0.64 C ATOM 935 O ILE A 77 -9.083 -9.682 -5.785 1.00 0.75 O ATOM 936 CB ILE A 77 -9.585 -6.698 -5.621 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.468 -5.451 -5.758 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.122 -6.299 -5.493 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.330 -4.740 -7.091 1.00 0.50 C ATOM 0 H ILE A 77 -11.661 -8.199 -6.079 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.516 -7.097 -7.733 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.876 -7.233 -4.717 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.510 -5.739 -5.618 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.220 -4.753 -4.958 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.999 -5.635 -4.637 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.513 -7.191 -5.351 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.805 -5.784 -6.400 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.986 -3.870 -7.109 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.297 -4.419 -7.227 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.607 -5.420 -7.896 1.00 0.50 H new ATOM 951 N LYS A 78 -7.947 -9.000 -7.600 1.00 0.74 N ATOM 952 CA LYS A 78 -7.056 -10.150 -7.614 1.00 0.90 C ATOM 953 C LYS A 78 -5.834 -9.889 -6.748 1.00 0.73 C ATOM 954 O LYS A 78 -5.213 -10.816 -6.230 1.00 0.72 O ATOM 955 CB LYS A 78 -6.634 -10.470 -9.050 1.00 1.16 C ATOM 956 CG LYS A 78 -7.791 -10.894 -9.941 1.00 1.45 C ATOM 957 CD LYS A 78 -8.202 -9.778 -10.889 1.00 1.67 C ATOM 958 CE LYS A 78 -9.508 -10.099 -11.598 1.00 1.72 C ATOM 959 NZ LYS A 78 -9.280 -10.579 -12.986 1.00 1.99 N ATOM 0 H LYS A 78 -7.771 -8.322 -8.342 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.588 -11.009 -7.205 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -6.154 -9.593 -9.484 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.889 -11.265 -9.033 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -7.505 -11.775 -10.516 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -8.642 -11.180 -9.323 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -8.309 -8.847 -10.332 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -7.416 -9.619 -11.627 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -10.050 -10.859 -11.035 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -10.138 -9.210 -11.620 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -10.194 -10.787 -13.436 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -8.786 -9.844 -13.531 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -8.700 -11.442 -12.964 1.00 1.99 H new ATOM 973 N ASN A 79 -5.494 -8.618 -6.593 1.00 0.67 N ATOM 974 CA ASN A 79 -4.374 -8.219 -5.750 1.00 0.56 C ATOM 975 C ASN A 79 -4.885 -7.444 -4.539 1.00 0.54 C ATOM 976 O ASN A 79 -4.931 -6.214 -4.554 1.00 0.52 O ATOM 977 CB ASN A 79 -3.383 -7.359 -6.538 1.00 0.60 C ATOM 978 CG ASN A 79 -2.675 -8.127 -7.637 1.00 1.09 C ATOM 979 OD1 ASN A 79 -1.730 -8.874 -7.383 1.00 2.05 O ATOM 980 ND2 ASN A 79 -3.119 -7.939 -8.870 1.00 1.28 N ATOM 0 H ASN A 79 -5.979 -7.841 -7.042 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.859 -9.118 -5.412 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -3.913 -6.514 -6.977 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.641 -6.949 -5.853 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -2.675 -8.422 -9.651 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -3.905 -7.311 -9.039 1.00 1.28 H new ATOM 987 N PRO A 80 -5.291 -8.157 -3.477 1.00 0.58 N ATOM 988 CA PRO A 80 -5.858 -7.544 -2.276 1.00 0.60 C ATOM 989 C PRO A 80 -4.798 -6.842 -1.434 1.00 0.55 C ATOM 990 O PRO A 80 -4.132 -7.468 -0.608 1.00 0.64 O ATOM 991 CB PRO A 80 -6.456 -8.731 -1.505 1.00 0.70 C ATOM 992 CG PRO A 80 -6.356 -9.910 -2.414 1.00 0.89 C ATOM 993 CD PRO A 80 -5.227 -9.617 -3.351 1.00 0.67 C ATOM 0 HA PRO A 80 -6.589 -6.773 -2.521 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -5.911 -8.907 -0.578 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.493 -8.536 -1.233 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -6.167 -10.823 -1.849 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -7.287 -10.061 -2.961 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.269 -9.948 -2.949 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -5.358 -10.114 -4.312 1.00 0.67 H new ATOM 1001 N MET A 81 -4.639 -5.547 -1.654 1.00 0.46 N ATOM 1002 CA MET A 81 -3.642 -4.769 -0.938 1.00 0.43 C ATOM 1003 C MET A 81 -4.254 -3.509 -0.368 1.00 0.43 C ATOM 1004 O MET A 81 -5.262 -3.003 -0.869 1.00 0.55 O ATOM 1005 CB MET A 81 -2.474 -4.411 -1.858 1.00 0.44 C ATOM 1006 CG MET A 81 -1.210 -5.195 -1.553 1.00 0.74 C ATOM 1007 SD MET A 81 -0.890 -6.496 -2.759 1.00 0.82 S ATOM 1008 CE MET A 81 -1.248 -7.941 -1.766 1.00 0.70 C ATOM 0 H MET A 81 -5.190 -5.011 -2.325 1.00 0.46 H new ATOM 0 HA MET A 81 -3.267 -5.379 -0.116 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.766 -4.593 -2.892 1.00 0.44 H new ATOM 0 HB3 MET A 81 -2.263 -3.345 -1.769 1.00 0.44 H new ATOM 0 HG2 MET A 81 -0.361 -4.512 -1.528 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.293 -5.638 -0.560 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.576 -8.751 -2.047 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.107 -7.702 -0.712 1.00 0.70 H new ATOM 0 HE3 MET A 81 -2.280 -8.251 -1.933 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.622 -3.008 0.671 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.110 -1.860 1.401 1.00 0.36 C ATOM 1020 C ASP A 82 -2.928 -0.972 1.784 1.00 0.35 C ATOM 1021 O ASP A 82 -2.193 -0.511 0.915 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.889 -2.324 2.646 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.167 -3.422 3.406 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.341 -4.599 3.049 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.446 -3.116 4.381 1.00 1.32 O ATOM 0 H ASP A 82 -2.749 -3.389 1.035 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.792 -1.281 0.778 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.050 -1.473 3.308 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.873 -2.682 2.343 1.00 0.38 H new ATOM 1030 N MET A 83 -2.722 -0.760 3.069 1.00 0.27 N ATOM 1031 CA MET A 83 -1.595 0.037 3.528 1.00 0.26 C ATOM 1032 C MET A 83 -0.830 -0.698 4.617 1.00 0.25 C ATOM 1033 O MET A 83 0.346 -0.422 4.861 1.00 0.26 O ATOM 1034 CB MET A 83 -2.067 1.394 4.040 1.00 0.31 C ATOM 1035 CG MET A 83 -1.071 2.511 3.791 1.00 0.43 C ATOM 1036 SD MET A 83 -1.802 4.151 3.965 1.00 0.80 S ATOM 1037 CE MET A 83 -2.604 4.004 5.561 1.00 0.38 C ATOM 0 H MET A 83 -3.316 -1.126 3.813 1.00 0.27 H new ATOM 0 HA MET A 83 -0.927 0.200 2.682 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.012 1.646 3.560 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.262 1.323 5.110 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.240 2.413 4.489 1.00 0.43 H new ATOM 0 HG3 MET A 83 -0.658 2.407 2.788 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.994 4.976 5.863 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.424 3.289 5.492 1.00 0.38 H new ATOM 0 HE3 MET A 83 -1.882 3.657 6.300 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.488 -1.664 5.240 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.867 -2.418 6.298 1.00 0.29 C ATOM 1049 C GLY A 84 -0.076 -3.566 5.731 1.00 0.26 C ATOM 1050 O GLY A 84 0.936 -3.979 6.298 1.00 0.32 O ATOM 0 H GLY A 84 -2.447 -1.937 5.027 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.212 -1.769 6.879 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.629 -2.795 6.980 1.00 0.29 H new ATOM 1054 N THR A 85 -0.537 -4.071 4.594 1.00 0.24 N ATOM 1055 CA THR A 85 0.166 -5.120 3.882 1.00 0.25 C ATOM 1056 C THR A 85 1.456 -4.580 3.282 1.00 0.26 C ATOM 1057 O THR A 85 2.521 -5.184 3.428 1.00 0.32 O ATOM 1058 CB THR A 85 -0.709 -5.710 2.759 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.648 -4.719 2.309 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.457 -6.949 3.233 1.00 0.84 C ATOM 0 H THR A 85 -1.401 -3.766 4.146 1.00 0.24 H new ATOM 0 HA THR A 85 0.398 -5.908 4.598 1.00 0.25 H new ATOM 0 HB THR A 85 -0.057 -6.003 1.936 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.552 -4.973 2.590 1.00 0.95 H new ATOM 0 HG21 THR A 85 -2.065 -7.341 2.418 1.00 0.84 H new ATOM 0 HG22 THR A 85 -0.741 -7.708 3.549 1.00 0.84 H new ATOM 0 HG23 THR A 85 -2.101 -6.686 4.072 1.00 0.84 H new ATOM 1068 N ILE A 86 1.346 -3.432 2.622 1.00 0.27 N ATOM 1069 CA ILE A 86 2.501 -2.752 2.053 1.00 0.31 C ATOM 1070 C ILE A 86 3.538 -2.485 3.136 1.00 0.29 C ATOM 1071 O ILE A 86 4.722 -2.780 2.972 1.00 0.32 O ATOM 1072 CB ILE A 86 2.082 -1.418 1.393 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.347 -1.689 0.081 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.288 -0.522 1.150 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.594 -0.489 -0.443 1.00 0.97 C ATOM 0 H ILE A 86 0.460 -2.951 2.468 1.00 0.27 H new ATOM 0 HA ILE A 86 2.935 -3.398 1.290 1.00 0.31 H new ATOM 0 HB ILE A 86 1.410 -0.897 2.075 1.00 0.36 H new ATOM 0 HG12 ILE A 86 2.067 -2.013 -0.670 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.648 -2.512 0.228 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.962 0.408 0.685 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.775 -0.302 2.100 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.992 -1.030 0.491 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.096 -0.751 -1.376 1.00 0.97 H new ATOM 0 HD12 ILE A 86 -0.150 -0.177 0.290 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.292 0.329 -0.622 1.00 0.97 H new ATOM 1087 N LYS A 87 3.073 -1.965 4.264 1.00 0.29 N ATOM 1088 CA LYS A 87 3.953 -1.633 5.361 1.00 0.34 C ATOM 1089 C LYS A 87 4.547 -2.900 5.977 1.00 0.34 C ATOM 1090 O LYS A 87 5.707 -2.901 6.384 1.00 0.38 O ATOM 1091 CB LYS A 87 3.199 -0.791 6.402 1.00 0.41 C ATOM 1092 CG LYS A 87 3.220 -1.357 7.810 1.00 0.49 C ATOM 1093 CD LYS A 87 4.286 -0.688 8.666 1.00 0.69 C ATOM 1094 CE LYS A 87 3.681 0.295 9.654 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.502 -0.314 10.995 1.00 1.15 N ATOM 0 H LYS A 87 2.088 -1.766 4.437 1.00 0.29 H new ATOM 0 HA LYS A 87 4.784 -1.036 4.986 1.00 0.34 H new ATOM 0 HB2 LYS A 87 3.630 0.210 6.421 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.162 -0.686 6.083 1.00 0.41 H new ATOM 0 HG2 LYS A 87 2.242 -1.220 8.272 1.00 0.49 H new ATOM 0 HG3 LYS A 87 3.406 -2.430 7.769 1.00 0.49 H new ATOM 0 HD2 LYS A 87 4.847 -1.449 9.208 1.00 0.69 H new ATOM 0 HD3 LYS A 87 4.995 -0.167 8.022 1.00 0.69 H new ATOM 0 HE2 LYS A 87 4.324 1.171 9.735 1.00 1.08 H new ATOM 0 HE3 LYS A 87 2.717 0.640 9.280 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 3.087 0.387 11.642 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 2.868 -1.135 10.921 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 4.425 -0.621 11.363 1.00 1.15 H new ATOM 1109 N LYS A 88 3.769 -3.989 6.013 1.00 0.35 N ATOM 1110 CA LYS A 88 4.241 -5.233 6.610 1.00 0.39 C ATOM 1111 C LYS A 88 5.379 -5.827 5.782 1.00 0.41 C ATOM 1112 O LYS A 88 6.312 -6.419 6.325 1.00 0.46 O ATOM 1113 CB LYS A 88 3.093 -6.240 6.739 1.00 0.42 C ATOM 1114 CG LYS A 88 3.422 -7.446 7.609 1.00 0.73 C ATOM 1115 CD LYS A 88 3.600 -7.067 9.072 1.00 1.26 C ATOM 1116 CE LYS A 88 4.003 -8.271 9.910 1.00 1.68 C ATOM 1117 NZ LYS A 88 4.944 -7.903 11.000 1.00 2.46 N ATOM 0 H LYS A 88 2.821 -4.029 5.639 1.00 0.35 H new ATOM 0 HA LYS A 88 4.618 -5.011 7.608 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.223 -5.732 7.154 1.00 0.42 H new ATOM 0 HB3 LYS A 88 2.815 -6.588 5.744 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.625 -8.184 7.521 1.00 0.73 H new ATOM 0 HG3 LYS A 88 4.334 -7.917 7.244 1.00 0.73 H new ATOM 0 HD2 LYS A 88 4.360 -6.290 9.159 1.00 1.26 H new ATOM 0 HD3 LYS A 88 2.670 -6.648 9.457 1.00 1.26 H new ATOM 0 HE2 LYS A 88 3.112 -8.728 10.340 1.00 1.68 H new ATOM 0 HE3 LYS A 88 4.467 -9.020 9.268 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 5.166 -8.746 11.567 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 5.820 -7.522 10.589 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 4.506 -7.183 11.609 1.00 2.46 H new ATOM 1131 N ARG A 89 5.302 -5.656 4.469 1.00 0.40 N ATOM 1132 CA ARG A 89 6.350 -6.123 3.574 1.00 0.44 C ATOM 1133 C ARG A 89 7.584 -5.234 3.688 1.00 0.43 C ATOM 1134 O ARG A 89 8.717 -5.700 3.556 1.00 0.48 O ATOM 1135 CB ARG A 89 5.845 -6.135 2.132 1.00 0.47 C ATOM 1136 CG ARG A 89 5.361 -7.498 1.668 1.00 0.68 C ATOM 1137 CD ARG A 89 4.381 -7.386 0.510 1.00 0.64 C ATOM 1138 NE ARG A 89 5.057 -7.254 -0.782 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.626 -7.826 -1.910 1.00 0.78 C ATOM 1140 NH1 ARG A 89 3.585 -8.654 -1.895 1.00 1.16 N ATOM 1141 NH2 ARG A 89 5.239 -7.583 -3.060 1.00 1.03 N ATOM 0 H ARG A 89 4.522 -5.196 4.000 1.00 0.40 H new ATOM 0 HA ARG A 89 6.624 -7.138 3.862 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.030 -5.417 2.035 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.646 -5.799 1.473 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.215 -8.103 1.364 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.883 -8.016 2.499 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.740 -8.268 0.493 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.733 -6.524 0.668 1.00 0.64 H new ATOM 0 HE ARG A 89 5.907 -6.692 -0.823 1.00 0.59 H new ATOM 0 HH11 ARG A 89 3.108 -8.857 -1.017 1.00 1.16 H new ATOM 0 HH12 ARG A 89 3.264 -9.085 -2.762 1.00 1.16 H new ATOM 0 HH21 ARG A 89 6.044 -6.957 -3.087 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.906 -8.022 -3.918 1.00 1.03 H new ATOM 1155 N LEU A 90 7.353 -3.950 3.935 1.00 0.40 N ATOM 1156 CA LEU A 90 8.432 -2.980 4.070 1.00 0.41 C ATOM 1157 C LEU A 90 9.251 -3.237 5.329 1.00 0.44 C ATOM 1158 O LEU A 90 10.475 -3.337 5.270 1.00 0.49 O ATOM 1159 CB LEU A 90 7.867 -1.558 4.098 1.00 0.39 C ATOM 1160 CG LEU A 90 7.772 -0.873 2.736 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.891 0.361 2.824 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.157 -0.506 2.218 1.00 0.45 C ATOM 0 H LEU A 90 6.419 -3.554 4.047 1.00 0.40 H new ATOM 0 HA LEU A 90 9.089 -3.089 3.207 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.872 -1.587 4.543 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.491 -0.948 4.752 1.00 0.39 H new ATOM 0 HG LEU A 90 7.320 -1.572 2.032 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.834 0.838 1.845 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.891 0.072 3.146 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.316 1.061 3.544 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.065 -0.019 1.247 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.640 0.174 2.920 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.758 -1.409 2.116 1.00 0.45 H new ATOM 1174 N GLU A 91 8.570 -3.356 6.463 1.00 0.45 N ATOM 1175 CA GLU A 91 9.244 -3.563 7.746 1.00 0.50 C ATOM 1176 C GLU A 91 9.944 -4.921 7.787 1.00 0.54 C ATOM 1177 O GLU A 91 10.930 -5.104 8.503 1.00 0.64 O ATOM 1178 CB GLU A 91 8.251 -3.451 8.909 1.00 0.53 C ATOM 1179 CG GLU A 91 6.974 -4.249 8.704 1.00 0.76 C ATOM 1180 CD GLU A 91 6.464 -4.890 9.976 1.00 0.94 C ATOM 1181 OE1 GLU A 91 5.806 -4.194 10.777 1.00 1.23 O ATOM 1182 OE2 GLU A 91 6.702 -6.100 10.173 1.00 1.39 O ATOM 0 H GLU A 91 7.553 -3.313 6.524 1.00 0.45 H new ATOM 0 HA GLU A 91 9.997 -2.782 7.852 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.737 -3.790 9.824 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.993 -2.402 9.055 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.203 -3.592 8.301 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.153 -5.025 7.960 1.00 0.76 H new ATOM 1189 N ASN A 92 9.441 -5.864 7.003 1.00 0.51 N ATOM 1190 CA ASN A 92 10.004 -7.207 6.966 1.00 0.57 C ATOM 1191 C ASN A 92 11.078 -7.319 5.894 1.00 0.60 C ATOM 1192 O ASN A 92 11.610 -8.404 5.653 1.00 0.68 O ATOM 1193 CB ASN A 92 8.907 -8.238 6.713 1.00 0.60 C ATOM 1194 CG ASN A 92 8.638 -9.108 7.921 1.00 0.69 C ATOM 1195 OD1 ASN A 92 9.503 -9.859 8.373 1.00 1.00 O ATOM 1196 ND2 ASN A 92 7.434 -9.010 8.458 1.00 1.30 N ATOM 0 H ASN A 92 8.643 -5.724 6.383 1.00 0.51 H new ATOM 0 HA ASN A 92 10.462 -7.405 7.935 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.989 -7.724 6.428 1.00 0.60 H new ATOM 0 HB3 ASN A 92 9.193 -8.869 5.872 1.00 0.60 H new ATOM 0 HD21 ASN A 92 7.194 -9.569 9.277 1.00 1.30 H new ATOM 0 HD22 ASN A 92 6.745 -8.376 8.053 1.00 1.30 H new ATOM 1203 N ASN A 93 11.405 -6.184 5.277 1.00 0.58 N ATOM 1204 CA ASN A 93 12.394 -6.118 4.212 1.00 0.62 C ATOM 1205 C ASN A 93 12.130 -7.173 3.143 1.00 0.66 C ATOM 1206 O ASN A 93 13.013 -7.949 2.776 1.00 0.77 O ATOM 1207 CB ASN A 93 13.788 -6.277 4.796 1.00 0.70 C ATOM 1208 CG ASN A 93 14.869 -5.597 3.971 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.622 -4.765 4.480 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.965 -5.951 2.701 1.00 1.22 N ATOM 0 H ASN A 93 10.987 -5.282 5.506 1.00 0.58 H new ATOM 0 HA ASN A 93 12.319 -5.143 3.731 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.800 -5.867 5.806 1.00 0.70 H new ATOM 0 HB3 ASN A 93 14.020 -7.339 4.881 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.681 -5.532 2.107 1.00 1.22 H new ATOM 0 HD22 ASN A 93 14.323 -6.644 2.315 1.00 1.22 H new ATOM 1217 N TYR A 94 10.899 -7.204 2.651 1.00 0.61 N ATOM 1218 CA TYR A 94 10.527 -8.130 1.595 1.00 0.67 C ATOM 1219 C TYR A 94 11.102 -7.679 0.257 1.00 0.70 C ATOM 1220 O TYR A 94 11.275 -8.474 -0.669 1.00 0.79 O ATOM 1221 CB TYR A 94 9.007 -8.250 1.494 1.00 0.71 C ATOM 1222 CG TYR A 94 8.579 -9.134 0.353 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.836 -10.494 0.381 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.957 -8.603 -0.763 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.478 -11.308 -0.671 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.601 -9.409 -1.828 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.861 -10.762 -1.777 1.00 0.85 C ATOM 1228 OH TYR A 94 7.517 -11.566 -2.840 1.00 0.96 O ATOM 0 H TYR A 94 10.142 -6.598 2.968 1.00 0.61 H new ATOM 0 HA TYR A 94 10.941 -9.108 1.843 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.613 -8.650 2.428 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.574 -7.258 1.365 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.325 -10.924 1.242 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.747 -7.544 -0.803 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.679 -12.368 -0.630 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.121 -8.981 -2.696 1.00 0.81 H new ATOM 0 HH TYR A 94 7.871 -12.468 -2.696 1.00 0.96 H new ATOM 1238 N TYR A 95 11.408 -6.402 0.167 1.00 0.77 N ATOM 1239 CA TYR A 95 11.844 -5.815 -1.084 1.00 0.88 C ATOM 1240 C TYR A 95 13.333 -5.601 -1.118 1.00 0.75 C ATOM 1241 O TYR A 95 14.032 -5.750 -0.120 1.00 1.04 O ATOM 1242 CB TYR A 95 11.178 -4.460 -1.309 1.00 1.17 C ATOM 1243 CG TYR A 95 9.686 -4.445 -1.112 1.00 0.95 C ATOM 1244 CD1 TYR A 95 8.840 -4.934 -2.089 1.00 0.92 C ATOM 1245 CD2 TYR A 95 9.127 -3.911 0.038 1.00 1.05 C ATOM 1246 CE1 TYR A 95 7.475 -4.897 -1.932 1.00 0.96 C ATOM 1247 CE2 TYR A 95 7.761 -3.873 0.209 1.00 1.09 C ATOM 1248 CZ TYR A 95 6.937 -4.365 -0.779 1.00 1.04 C ATOM 1249 OH TYR A 95 5.574 -4.324 -0.612 1.00 1.28 O ATOM 0 H TYR A 95 11.363 -5.748 0.948 1.00 0.77 H new ATOM 0 HA TYR A 95 11.559 -6.519 -1.866 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.626 -3.734 -0.630 1.00 1.17 H new ATOM 0 HB3 TYR A 95 11.399 -4.127 -2.323 1.00 1.17 H new ATOM 0 HD1 TYR A 95 9.259 -5.353 -2.992 1.00 0.92 H new ATOM 0 HD2 TYR A 95 9.772 -3.519 0.811 1.00 1.05 H new ATOM 0 HE1 TYR A 95 6.828 -5.282 -2.706 1.00 0.96 H new ATOM 0 HE2 TYR A 95 7.338 -3.460 1.113 1.00 1.09 H new ATOM 0 HH TYR A 95 5.136 -4.710 -1.399 1.00 1.28 H new ATOM 1259 N TRP A 96 13.787 -5.263 -2.302 1.00 0.72 N ATOM 1260 CA TRP A 96 15.126 -4.777 -2.510 1.00 0.65 C ATOM 1261 C TRP A 96 15.146 -3.278 -2.267 1.00 0.61 C ATOM 1262 O TRP A 96 16.049 -2.739 -1.630 1.00 0.64 O ATOM 1263 CB TRP A 96 15.545 -5.063 -3.949 1.00 0.68 C ATOM 1264 CG TRP A 96 17.003 -4.893 -4.199 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.774 -3.811 -3.897 1.00 0.70 C ATOM 1266 CD2 TRP A 96 17.858 -5.837 -4.825 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.071 -4.040 -4.277 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.146 -5.278 -4.863 1.00 0.86 C ATOM 1269 CE3 TRP A 96 17.650 -7.106 -5.352 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.232 -5.953 -5.412 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 18.728 -7.779 -5.901 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.004 -7.199 -5.930 1.00 1.05 C ATOM 0 H TRP A 96 13.230 -5.319 -3.155 1.00 0.72 H new ATOM 0 HA TRP A 96 15.815 -5.272 -1.825 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.259 -6.084 -4.204 1.00 0.68 H new ATOM 0 HB3 TRP A 96 14.993 -4.401 -4.616 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.416 -2.907 -3.428 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.851 -3.396 -4.146 1.00 0.79 H new ATOM 0 HE3 TRP A 96 16.669 -7.557 -5.334 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.217 -5.511 -5.429 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 18.584 -8.767 -6.314 1.00 1.03 H new ATOM 0 HH2 TRP A 96 20.824 -7.747 -6.370 1.00 1.05 H new ATOM 1283 N SER A 97 14.117 -2.623 -2.770 1.00 0.60 N ATOM 1284 CA SER A 97 14.061 -1.182 -2.785 1.00 0.56 C ATOM 1285 C SER A 97 12.608 -0.718 -2.843 1.00 0.54 C ATOM 1286 O SER A 97 11.693 -1.539 -2.951 1.00 0.55 O ATOM 1287 CB SER A 97 14.847 -0.675 -3.993 1.00 0.58 C ATOM 1288 OG SER A 97 14.956 0.739 -3.990 1.00 1.00 O ATOM 0 H SER A 97 13.300 -3.078 -3.178 1.00 0.60 H new ATOM 0 HA SER A 97 14.504 -0.778 -1.875 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.843 -1.117 -3.991 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.356 -1.001 -4.910 1.00 0.58 H new ATOM 0 HG SER A 97 14.725 1.087 -4.877 1.00 1.00 H new ATOM 1294 N ALA A 98 12.396 0.591 -2.786 1.00 0.54 N ATOM 1295 CA ALA A 98 11.051 1.143 -2.787 1.00 0.56 C ATOM 1296 C ALA A 98 10.422 1.033 -4.171 1.00 0.52 C ATOM 1297 O ALA A 98 9.209 1.164 -4.325 1.00 0.53 O ATOM 1298 CB ALA A 98 11.067 2.589 -2.323 1.00 0.66 C ATOM 0 H ALA A 98 13.139 1.288 -2.739 1.00 0.54 H new ATOM 0 HA ALA A 98 10.445 0.564 -2.090 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.051 2.985 -2.330 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.470 2.642 -1.312 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.691 3.179 -2.994 1.00 0.66 H new ATOM 1304 N SER A 99 11.255 0.776 -5.174 1.00 0.52 N ATOM 1305 CA SER A 99 10.787 0.562 -6.536 1.00 0.54 C ATOM 1306 C SER A 99 9.849 -0.638 -6.596 1.00 0.48 C ATOM 1307 O SER A 99 8.919 -0.679 -7.401 1.00 0.50 O ATOM 1308 CB SER A 99 11.982 0.335 -7.457 1.00 0.62 C ATOM 1309 OG SER A 99 13.091 -0.148 -6.717 1.00 0.85 O ATOM 0 H SER A 99 12.267 0.711 -5.066 1.00 0.52 H new ATOM 0 HA SER A 99 10.239 1.446 -6.863 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.718 -0.379 -8.237 1.00 0.62 H new ATOM 0 HB3 SER A 99 12.247 1.267 -7.956 1.00 0.62 H new ATOM 0 HG SER A 99 13.682 0.599 -6.488 1.00 0.85 H new ATOM 1315 N GLU A 100 10.093 -1.600 -5.714 1.00 0.46 N ATOM 1316 CA GLU A 100 9.300 -2.813 -5.652 1.00 0.48 C ATOM 1317 C GLU A 100 7.955 -2.521 -4.990 1.00 0.44 C ATOM 1318 O GLU A 100 6.940 -3.130 -5.318 1.00 0.52 O ATOM 1319 CB GLU A 100 10.062 -3.880 -4.863 1.00 0.56 C ATOM 1320 CG GLU A 100 11.407 -4.259 -5.467 1.00 1.03 C ATOM 1321 CD GLU A 100 11.751 -5.726 -5.272 1.00 1.83 C ATOM 1322 OE1 GLU A 100 11.816 -6.187 -4.112 1.00 2.37 O ATOM 1323 OE2 GLU A 100 11.975 -6.423 -6.282 1.00 2.44 O ATOM 0 H GLU A 100 10.844 -1.558 -5.026 1.00 0.46 H new ATOM 0 HA GLU A 100 9.117 -3.181 -6.662 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.221 -3.520 -3.846 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.443 -4.774 -4.791 1.00 0.56 H new ATOM 0 HG2 GLU A 100 11.398 -4.032 -6.533 1.00 1.03 H new ATOM 0 HG3 GLU A 100 12.187 -3.645 -5.017 1.00 1.03 H new ATOM 1330 N CYS A 101 7.962 -1.557 -4.079 1.00 0.41 N ATOM 1331 CA CYS A 101 6.769 -1.187 -3.326 1.00 0.44 C ATOM 1332 C CYS A 101 5.891 -0.250 -4.147 1.00 0.38 C ATOM 1333 O CYS A 101 4.689 -0.127 -3.900 1.00 0.38 O ATOM 1334 CB CYS A 101 7.166 -0.515 -2.008 1.00 0.57 C ATOM 1335 SG CYS A 101 6.166 -1.015 -0.588 1.00 0.95 S ATOM 0 H CYS A 101 8.790 -1.011 -3.841 1.00 0.41 H new ATOM 0 HA CYS A 101 6.202 -2.092 -3.106 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.212 -0.741 -1.799 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.091 0.566 -2.128 1.00 0.57 H new ATOM 0 HG CYS A 101 6.431 -2.251 -0.284 1.00 0.95 H new ATOM 1341 N MET A 102 6.509 0.413 -5.120 1.00 0.39 N ATOM 1342 CA MET A 102 5.797 1.308 -6.027 1.00 0.44 C ATOM 1343 C MET A 102 4.619 0.592 -6.671 1.00 0.36 C ATOM 1344 O MET A 102 3.562 1.183 -6.898 1.00 0.39 O ATOM 1345 CB MET A 102 6.737 1.820 -7.117 1.00 0.58 C ATOM 1346 CG MET A 102 7.482 3.088 -6.743 1.00 0.75 C ATOM 1347 SD MET A 102 6.384 4.496 -6.490 1.00 1.02 S ATOM 1348 CE MET A 102 7.094 5.203 -5.006 1.00 1.13 C ATOM 0 H MET A 102 7.510 0.346 -5.301 1.00 0.39 H new ATOM 0 HA MET A 102 5.426 2.152 -5.446 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.462 1.041 -7.353 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.160 2.004 -8.023 1.00 0.58 H new ATOM 0 HG2 MET A 102 8.055 2.912 -5.833 1.00 0.75 H new ATOM 0 HG3 MET A 102 8.198 3.328 -7.529 1.00 0.75 H new ATOM 0 HE1 MET A 102 6.296 5.570 -4.360 1.00 1.13 H new ATOM 0 HE2 MET A 102 7.667 4.441 -4.478 1.00 1.13 H new ATOM 0 HE3 MET A 102 7.751 6.030 -5.275 1.00 1.13 H new ATOM 1358 N GLN A 103 4.808 -0.691 -6.940 1.00 0.34 N ATOM 1359 CA GLN A 103 3.795 -1.500 -7.575 1.00 0.36 C ATOM 1360 C GLN A 103 2.622 -1.714 -6.622 1.00 0.30 C ATOM 1361 O GLN A 103 1.465 -1.474 -6.978 1.00 0.31 O ATOM 1362 CB GLN A 103 4.425 -2.834 -7.978 1.00 0.43 C ATOM 1363 CG GLN A 103 3.744 -3.541 -9.144 1.00 1.36 C ATOM 1364 CD GLN A 103 2.245 -3.677 -8.971 1.00 2.17 C ATOM 1365 OE1 GLN A 103 1.470 -2.936 -9.573 1.00 2.70 O ATOM 1366 NE2 GLN A 103 1.826 -4.617 -8.139 1.00 2.96 N ATOM 0 H GLN A 103 5.668 -1.194 -6.722 1.00 0.34 H new ATOM 0 HA GLN A 103 3.412 -0.998 -8.464 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.470 -2.662 -8.237 1.00 0.43 H new ATOM 0 HB3 GLN A 103 4.416 -3.499 -7.114 1.00 0.43 H new ATOM 0 HG2 GLN A 103 3.948 -2.991 -10.062 1.00 1.36 H new ATOM 0 HG3 GLN A 103 4.180 -4.533 -9.263 1.00 1.36 H new ATOM 0 HE21 GLN A 103 2.502 -5.211 -7.659 1.00 2.96 H new ATOM 0 HE22 GLN A 103 0.827 -4.747 -7.978 1.00 2.96 H new ATOM 1375 N ASP A 104 2.933 -2.138 -5.406 1.00 0.30 N ATOM 1376 CA ASP A 104 1.913 -2.451 -4.414 1.00 0.32 C ATOM 1377 C ASP A 104 1.129 -1.203 -4.032 1.00 0.29 C ATOM 1378 O ASP A 104 -0.094 -1.248 -3.883 1.00 0.31 O ATOM 1379 CB ASP A 104 2.551 -3.076 -3.170 1.00 0.48 C ATOM 1380 CG ASP A 104 3.329 -4.338 -3.486 1.00 0.88 C ATOM 1381 OD1 ASP A 104 2.844 -5.149 -4.302 1.00 1.87 O ATOM 1382 OD2 ASP A 104 4.423 -4.527 -2.911 1.00 1.09 O ATOM 0 H ASP A 104 3.890 -2.274 -5.080 1.00 0.30 H new ATOM 0 HA ASP A 104 1.222 -3.170 -4.853 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.217 -2.350 -2.704 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.772 -3.306 -2.443 1.00 0.48 H new ATOM 1387 N PHE A 105 1.836 -0.086 -3.893 1.00 0.30 N ATOM 1388 CA PHE A 105 1.202 1.190 -3.576 1.00 0.33 C ATOM 1389 C PHE A 105 0.231 1.596 -4.679 1.00 0.32 C ATOM 1390 O PHE A 105 -0.892 2.015 -4.407 1.00 0.38 O ATOM 1391 CB PHE A 105 2.257 2.281 -3.385 1.00 0.38 C ATOM 1392 CG PHE A 105 2.280 2.868 -2.001 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.267 3.714 -1.580 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.310 2.570 -1.118 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.277 4.251 -0.307 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.325 3.106 0.156 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.339 3.964 0.553 1.00 0.33 C ATOM 0 H PHE A 105 2.850 -0.038 -3.995 1.00 0.30 H new ATOM 0 HA PHE A 105 0.647 1.070 -2.646 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.240 1.866 -3.610 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.075 3.079 -4.105 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.460 3.957 -2.255 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.108 1.912 -1.430 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.469 4.888 0.021 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.119 2.845 0.840 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.381 4.420 1.531 1.00 0.33 H new ATOM 1407 N ASN A 106 0.669 1.455 -5.925 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.180 1.761 -7.072 1.00 0.34 C ATOM 1409 C ASN A 106 -1.388 0.829 -7.097 1.00 0.32 C ATOM 1410 O ASN A 106 -2.515 1.256 -7.365 1.00 0.38 O ATOM 1411 CB ASN A 106 0.618 1.629 -8.375 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.234 1.174 -9.547 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -1.038 1.938 -10.085 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.068 -0.076 -9.944 1.00 0.97 N ATOM 0 H ASN A 106 1.605 1.131 -6.167 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.532 2.789 -6.981 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.073 2.590 -8.615 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.431 0.919 -8.226 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.616 -0.441 -10.723 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.608 -0.676 -9.471 1.00 0.97 H new ATOM 1421 N THR A 107 -1.142 -0.442 -6.798 1.00 0.29 N ATOM 1422 CA THR A 107 -2.181 -1.456 -6.814 1.00 0.30 C ATOM 1423 C THR A 107 -3.263 -1.173 -5.773 1.00 0.26 C ATOM 1424 O THR A 107 -4.450 -1.206 -6.086 1.00 0.27 O ATOM 1425 CB THR A 107 -1.581 -2.855 -6.574 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.705 -3.194 -7.656 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.666 -3.913 -6.447 1.00 0.39 C ATOM 0 H THR A 107 -0.220 -0.794 -6.539 1.00 0.29 H new ATOM 0 HA THR A 107 -2.643 -1.428 -7.801 1.00 0.30 H new ATOM 0 HB THR A 107 -1.025 -2.827 -5.637 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.110 -2.652 -7.599 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.207 -4.887 -6.278 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.316 -3.668 -5.607 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.254 -3.943 -7.364 1.00 0.39 H new ATOM 1435 N MET A 108 -2.850 -0.870 -4.545 1.00 0.26 N ATOM 1436 CA MET A 108 -3.796 -0.625 -3.459 1.00 0.26 C ATOM 1437 C MET A 108 -4.738 0.534 -3.796 1.00 0.24 C ATOM 1438 O MET A 108 -5.925 0.496 -3.462 1.00 0.27 O ATOM 1439 CB MET A 108 -3.044 -0.361 -2.143 1.00 0.32 C ATOM 1440 CG MET A 108 -2.723 1.104 -1.873 1.00 0.62 C ATOM 1441 SD MET A 108 -3.956 1.912 -0.834 1.00 0.88 S ATOM 1442 CE MET A 108 -2.914 2.940 0.198 1.00 0.83 C ATOM 0 H MET A 108 -1.869 -0.788 -4.277 1.00 0.26 H new ATOM 0 HA MET A 108 -4.408 -1.518 -3.332 1.00 0.26 H new ATOM 0 HB2 MET A 108 -3.641 -0.746 -1.316 1.00 0.32 H new ATOM 0 HB3 MET A 108 -2.112 -0.927 -2.154 1.00 0.32 H new ATOM 0 HG2 MET A 108 -1.747 1.174 -1.392 1.00 0.62 H new ATOM 0 HG3 MET A 108 -2.650 1.636 -2.822 1.00 0.62 H new ATOM 0 HE1 MET A 108 -3.535 3.503 0.895 1.00 0.83 H new ATOM 0 HE2 MET A 108 -2.220 2.311 0.756 1.00 0.83 H new ATOM 0 HE3 MET A 108 -2.352 3.633 -0.428 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.214 1.539 -4.491 1.00 0.22 N ATOM 1453 CA PHE A 109 -4.994 2.716 -4.838 1.00 0.23 C ATOM 1454 C PHE A 109 -6.014 2.389 -5.919 1.00 0.23 C ATOM 1455 O PHE A 109 -7.199 2.696 -5.787 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.074 3.842 -5.312 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.613 4.744 -4.204 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.529 5.389 -3.391 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.261 4.945 -3.978 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.107 6.222 -2.373 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.832 5.776 -2.963 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.766 6.409 -2.149 1.00 0.22 C ATOM 0 H PHE A 109 -3.250 1.559 -4.824 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.528 3.045 -3.946 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.203 3.407 -5.802 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.597 4.437 -6.061 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.586 5.239 -3.554 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.535 4.446 -4.603 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.833 6.727 -1.753 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.776 5.934 -2.801 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.436 7.047 -1.342 1.00 0.22 H new ATOM 1472 N THR A 110 -5.554 1.742 -6.976 1.00 0.22 N ATOM 1473 CA THR A 110 -6.415 1.414 -8.098 1.00 0.26 C ATOM 1474 C THR A 110 -7.453 0.376 -7.697 1.00 0.25 C ATOM 1475 O THR A 110 -8.581 0.388 -8.182 1.00 0.27 O ATOM 1476 CB THR A 110 -5.592 0.887 -9.279 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.465 0.147 -8.791 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.110 2.036 -10.143 1.00 0.66 C ATOM 0 H THR A 110 -4.587 1.433 -7.080 1.00 0.22 H new ATOM 0 HA THR A 110 -6.926 2.327 -8.402 1.00 0.26 H new ATOM 0 HB THR A 110 -6.224 0.235 -9.882 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.728 0.763 -8.598 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.527 1.645 -10.977 1.00 0.66 H new ATOM 0 HG22 THR A 110 -5.968 2.587 -10.527 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.487 2.703 -9.547 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.052 -0.510 -6.797 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.936 -1.546 -6.260 1.00 0.27 C ATOM 1488 C ASN A 111 -9.227 -0.936 -5.713 1.00 0.26 C ATOM 1489 O ASN A 111 -10.320 -1.447 -5.967 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.196 -2.346 -5.175 1.00 0.33 C ATOM 1491 CG ASN A 111 -8.000 -2.545 -3.900 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -8.918 -3.359 -3.854 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -7.654 -1.805 -2.853 1.00 1.61 N ATOM 0 H ASN A 111 -6.106 -0.535 -6.416 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.215 -2.225 -7.066 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.925 -3.322 -5.578 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -6.266 -1.833 -4.930 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -8.157 -1.902 -1.971 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.885 -1.139 -2.931 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.099 0.176 -4.999 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.254 0.854 -4.428 1.00 0.30 C ATOM 1502 C CYS A 112 -11.126 1.444 -5.534 1.00 0.31 C ATOM 1503 O CYS A 112 -12.351 1.356 -5.491 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.787 1.940 -3.449 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.497 3.580 -3.728 1.00 0.63 S ATOM 0 H CYS A 112 -8.206 0.627 -4.802 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.859 0.133 -3.878 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -10.031 1.623 -2.435 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.701 2.017 -3.506 1.00 0.36 H new ATOM 0 HG CYS A 112 -11.488 3.769 -2.908 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.485 2.001 -6.551 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.198 2.629 -7.656 1.00 0.36 C ATOM 1513 C TYR A 113 -11.926 1.589 -8.509 1.00 0.41 C ATOM 1514 O TYR A 113 -12.838 1.919 -9.263 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.226 3.432 -8.520 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.872 4.776 -7.929 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.823 5.781 -7.842 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.593 5.037 -7.454 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -10.510 7.011 -7.299 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -8.273 6.265 -6.908 1.00 0.65 C ATOM 1521 CZ TYR A 113 -9.234 7.248 -6.832 1.00 0.66 C ATOM 1522 OH TYR A 113 -8.918 8.475 -6.293 1.00 0.81 O ATOM 0 H TYR A 113 -9.469 2.031 -6.635 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.945 3.303 -7.236 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.313 2.853 -8.662 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.665 3.581 -9.506 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.824 5.599 -8.205 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.837 4.268 -7.512 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -11.261 7.785 -7.240 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -7.274 6.453 -6.543 1.00 0.65 H new ATOM 0 HH TYR A 113 -7.979 8.476 -6.011 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.509 0.338 -8.390 1.00 0.37 N ATOM 1533 CA ILE A 114 -12.122 -0.749 -9.139 1.00 0.43 C ATOM 1534 C ILE A 114 -13.244 -1.398 -8.334 1.00 0.47 C ATOM 1535 O ILE A 114 -14.356 -1.585 -8.835 1.00 0.55 O ATOM 1536 CB ILE A 114 -11.078 -1.825 -9.504 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -10.025 -1.251 -10.457 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.749 -3.043 -10.128 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.751 -2.068 -10.521 1.00 0.44 C ATOM 0 H ILE A 114 -10.745 0.049 -7.779 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.533 -0.322 -10.054 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.582 -2.140 -8.586 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.452 -1.182 -11.457 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.780 -0.236 -10.144 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.993 -3.788 -10.377 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.459 -3.470 -9.420 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.276 -2.744 -11.034 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -8.053 -1.600 -11.216 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.299 -2.116 -9.530 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.982 -3.077 -10.863 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.942 -1.737 -7.086 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.894 -2.426 -6.221 1.00 0.51 C ATOM 1553 C TYR A 115 -15.056 -1.510 -5.856 1.00 0.52 C ATOM 1554 O TYR A 115 -16.212 -1.940 -5.803 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.187 -2.917 -4.951 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.083 -3.674 -3.990 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.525 -4.959 -4.288 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.491 -3.103 -2.792 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.346 -5.652 -3.419 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.312 -3.791 -1.917 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.719 -5.063 -2.219 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.552 -5.751 -1.367 1.00 1.22 O ATOM 0 H TYR A 115 -12.041 -1.545 -6.648 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.294 -3.284 -6.762 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.356 -3.561 -5.238 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.761 -2.059 -4.432 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -14.221 -5.423 -5.215 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.162 -2.106 -2.539 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.694 -6.643 -3.671 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -15.632 -3.325 -0.996 1.00 1.03 H new ATOM 0 HH TYR A 115 -16.722 -5.210 -0.568 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.748 -0.245 -5.628 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.755 0.715 -5.200 1.00 0.41 C ATOM 1574 C ASN A 116 -16.233 1.558 -6.375 1.00 0.45 C ATOM 1575 O ASN A 116 -15.767 1.399 -7.507 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.205 1.635 -4.103 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.504 0.884 -2.988 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -13.291 0.980 -2.828 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -15.263 0.145 -2.196 1.00 0.88 N ATOM 0 H ASN A 116 -13.810 0.143 -5.731 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.597 0.150 -4.800 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.508 2.344 -4.549 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -16.025 2.216 -3.681 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -14.843 -0.369 -1.421 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -16.268 0.089 -2.360 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.183 2.436 -6.104 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.671 3.375 -7.102 1.00 0.53 C ATOM 1588 C LYS A 117 -17.100 4.761 -6.811 1.00 0.52 C ATOM 1589 O LYS A 117 -16.709 5.038 -5.679 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.205 3.428 -7.094 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.868 2.156 -6.589 1.00 1.20 C ATOM 1592 CD LYS A 117 -21.320 2.403 -6.207 1.00 1.82 C ATOM 1593 CE LYS A 117 -21.520 2.353 -4.699 1.00 2.62 C ATOM 1594 NZ LYS A 117 -21.450 3.703 -4.080 1.00 3.47 N ATOM 0 H LYS A 117 -17.636 2.519 -5.194 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.347 3.043 -8.088 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.526 4.264 -6.472 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.556 3.631 -8.106 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -19.818 1.387 -7.360 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -19.322 1.777 -5.725 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -21.635 3.376 -6.584 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -21.954 1.655 -6.684 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -22.487 1.903 -4.477 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -20.760 1.711 -4.254 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -21.009 3.632 -3.141 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -20.882 4.332 -4.683 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -22.410 4.090 -3.983 1.00 3.47 H new ATOM 1608 N PRO A 118 -17.049 5.658 -7.813 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.542 7.024 -7.621 1.00 0.68 C ATOM 1610 C PRO A 118 -17.389 7.835 -6.638 1.00 0.70 C ATOM 1611 O PRO A 118 -17.030 8.950 -6.259 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.600 7.644 -9.017 1.00 0.79 C ATOM 1613 CG PRO A 118 -16.746 6.503 -9.963 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.452 5.414 -9.207 1.00 0.68 C ATOM 0 HA PRO A 118 -15.540 7.017 -7.191 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -17.440 8.334 -9.104 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.696 8.214 -9.229 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -17.318 6.799 -10.843 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -15.772 6.163 -10.315 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.533 5.474 -9.330 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.147 4.424 -9.547 1.00 0.68 H new ATOM 1622 N THR A 119 -18.516 7.265 -6.232 1.00 0.67 N ATOM 1623 CA THR A 119 -19.399 7.895 -5.265 1.00 0.77 C ATOM 1624 C THR A 119 -19.171 7.339 -3.862 1.00 0.69 C ATOM 1625 O THR A 119 -19.896 7.674 -2.924 1.00 0.78 O ATOM 1626 CB THR A 119 -20.869 7.666 -5.650 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.944 6.688 -6.702 1.00 0.98 O ATOM 1628 CG2 THR A 119 -21.518 8.962 -6.102 1.00 1.23 C ATOM 0 H THR A 119 -18.841 6.357 -6.563 1.00 0.67 H new ATOM 0 HA THR A 119 -19.174 8.962 -5.269 1.00 0.77 H new ATOM 0 HB THR A 119 -21.406 7.303 -4.774 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.882 6.541 -6.946 1.00 0.98 H new ATOM 0 HG21 THR A 119 -22.558 8.774 -6.369 1.00 1.23 H new ATOM 0 HG22 THR A 119 -21.477 9.691 -5.293 1.00 1.23 H new ATOM 0 HG23 THR A 119 -20.985 9.353 -6.969 1.00 1.23 H new ATOM 1636 N ASP A 120 -18.168 6.484 -3.715 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.932 5.812 -2.450 1.00 0.59 C ATOM 1638 C ASP A 120 -16.969 6.597 -1.578 1.00 0.47 C ATOM 1639 O ASP A 120 -16.054 7.258 -2.075 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.397 4.405 -2.685 1.00 0.63 C ATOM 1641 CG ASP A 120 -18.513 3.392 -2.826 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -19.548 3.550 -2.156 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.343 2.416 -3.589 1.00 1.19 O ATOM 0 H ASP A 120 -17.508 6.242 -4.454 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.886 5.746 -1.927 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -16.783 4.396 -3.585 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.750 4.119 -1.855 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.190 6.506 -0.274 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.407 7.244 0.717 1.00 0.51 C ATOM 1650 C ASP A 121 -14.920 6.925 0.597 1.00 0.39 C ATOM 1651 O ASP A 121 -14.083 7.825 0.578 1.00 0.39 O ATOM 1652 CB ASP A 121 -16.881 6.915 2.144 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.394 6.889 2.302 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -19.096 7.412 1.407 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.897 6.358 3.315 1.00 1.44 O ATOM 0 H ASP A 121 -17.918 5.918 0.131 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.558 8.306 0.521 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -16.479 5.945 2.435 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.466 7.651 2.833 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.604 5.639 0.494 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.216 5.186 0.427 1.00 0.27 C ATOM 1662 C ILE A 122 -12.540 5.670 -0.860 1.00 0.25 C ATOM 1663 O ILE A 122 -11.341 5.952 -0.874 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.126 3.645 0.544 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.723 3.140 0.182 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.174 2.977 -0.330 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -10.800 3.007 1.375 1.00 0.42 C ATOM 0 H ILE A 122 -15.292 4.887 0.455 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.685 5.622 1.274 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.321 3.379 1.583 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.810 2.171 -0.309 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.275 3.823 -0.539 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -14.093 1.894 -0.233 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.168 3.296 -0.015 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -14.015 3.261 -1.370 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -9.827 2.645 1.043 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -10.682 3.979 1.854 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.226 2.301 2.088 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.311 5.789 -1.933 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.786 6.319 -3.185 1.00 0.25 C ATOM 1681 C VAL A 123 -12.412 7.786 -3.005 1.00 0.24 C ATOM 1682 O VAL A 123 -11.347 8.232 -3.440 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.805 6.171 -4.341 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.786 7.389 -5.258 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.526 4.902 -5.131 1.00 0.32 C ATOM 0 H VAL A 123 -14.296 5.527 -1.962 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.900 5.742 -3.449 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.801 6.101 -3.904 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -14.513 7.253 -6.059 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -14.041 8.280 -4.684 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.791 7.506 -5.687 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -14.250 4.811 -5.941 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.520 4.947 -5.547 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.608 4.038 -4.472 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.297 8.526 -2.342 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.065 9.933 -2.060 1.00 0.31 C ATOM 1697 C LEU A 124 -11.817 10.091 -1.208 1.00 0.29 C ATOM 1698 O LEU A 124 -11.088 11.078 -1.322 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.271 10.532 -1.335 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.146 11.454 -2.180 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.604 11.332 -1.764 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.670 12.895 -2.061 1.00 0.49 C ATOM 0 H LEU A 124 -14.185 8.169 -1.990 1.00 0.27 H new ATOM 0 HA LEU A 124 -12.923 10.462 -3.002 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -14.889 9.717 -0.957 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -13.914 11.090 -0.469 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.062 11.151 -3.224 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.214 11.996 -2.376 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -16.937 10.303 -1.902 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.707 11.609 -0.715 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.305 13.539 -2.670 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.725 13.211 -1.019 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.640 12.968 -2.409 1.00 0.49 H new ATOM 1714 N MET A 125 -11.572 9.097 -0.366 1.00 0.25 N ATOM 1715 CA MET A 125 -10.408 9.102 0.497 1.00 0.26 C ATOM 1716 C MET A 125 -9.145 8.828 -0.307 1.00 0.24 C ATOM 1717 O MET A 125 -8.146 9.525 -0.149 1.00 0.25 O ATOM 1718 CB MET A 125 -10.561 8.072 1.621 1.00 0.35 C ATOM 1719 CG MET A 125 -11.733 8.354 2.544 1.00 0.62 C ATOM 1720 SD MET A 125 -12.258 6.903 3.479 1.00 0.54 S ATOM 1721 CE MET A 125 -13.153 7.680 4.820 1.00 0.62 C ATOM 0 H MET A 125 -12.168 8.276 -0.265 1.00 0.25 H new ATOM 0 HA MET A 125 -10.323 10.091 0.948 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.684 7.082 1.182 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.643 8.048 2.209 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.458 9.148 3.239 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.572 8.723 1.954 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.543 6.913 5.490 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.482 8.338 5.373 1.00 0.62 H new ATOM 0 HE3 MET A 125 -13.980 8.263 4.416 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.207 7.831 -1.185 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.066 7.461 -2.022 1.00 0.27 C ATOM 1733 C ALA A 126 -7.568 8.651 -2.834 1.00 0.25 C ATOM 1734 O ALA A 126 -6.366 8.810 -3.051 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.442 6.314 -2.949 1.00 0.31 C ATOM 0 H ALA A 126 -10.039 7.261 -1.337 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.258 7.138 -1.365 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.584 6.049 -3.566 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.743 5.451 -2.356 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.269 6.620 -3.590 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.500 9.488 -3.274 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.168 10.685 -4.038 1.00 0.30 C ATOM 1743 C GLN A 127 -7.270 11.621 -3.231 1.00 0.28 C ATOM 1744 O GLN A 127 -6.242 12.079 -3.718 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.449 11.410 -4.454 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.205 12.775 -5.083 1.00 0.86 C ATOM 1747 CD GLN A 127 -9.838 13.906 -4.296 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -9.295 15.010 -4.220 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -10.993 13.641 -3.703 1.00 1.62 N ATOM 0 H GLN A 127 -9.499 9.358 -3.113 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.622 10.381 -4.931 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -9.995 10.786 -5.162 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -10.087 11.532 -3.579 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -8.132 12.948 -5.160 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -9.602 12.778 -6.098 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.410 12.714 -3.790 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -11.465 14.364 -3.160 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.659 11.898 -1.995 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.882 12.781 -1.135 1.00 0.28 C ATOM 1760 C ALA A 128 -5.582 12.106 -0.711 1.00 0.24 C ATOM 1761 O ALA A 128 -4.534 12.745 -0.622 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.701 13.184 0.084 1.00 0.32 C ATOM 0 H ALA A 128 -8.506 11.526 -1.565 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.631 13.681 -1.696 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.109 13.844 0.718 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.603 13.704 -0.239 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -7.979 12.293 0.647 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.669 10.803 -0.475 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.531 10.000 -0.043 1.00 0.17 C ATOM 1770 C LEU A 129 -3.395 10.051 -1.068 1.00 0.17 C ATOM 1771 O LEU A 129 -2.230 10.243 -0.713 1.00 0.19 O ATOM 1772 CB LEU A 129 -4.977 8.546 0.152 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.400 8.139 1.572 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.155 9.259 2.266 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.256 6.881 1.517 1.00 0.33 C ATOM 0 H LEU A 129 -6.533 10.271 -0.578 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.162 10.409 0.898 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.813 8.353 -0.521 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.160 7.895 -0.160 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.499 7.936 2.151 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.440 8.939 3.268 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.517 10.140 2.334 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.051 9.503 1.695 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.552 6.598 2.527 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.146 7.073 0.918 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.683 6.070 1.067 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.744 9.898 -2.342 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.749 9.818 -3.408 1.00 0.22 C ATOM 1789 C GLU A 130 -1.985 11.133 -3.576 1.00 0.20 C ATOM 1790 O GLU A 130 -0.869 11.142 -4.098 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.404 9.404 -4.732 1.00 0.34 C ATOM 1792 CG GLU A 130 -4.228 10.499 -5.386 1.00 0.76 C ATOM 1793 CD GLU A 130 -4.219 10.418 -6.897 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -3.677 9.435 -7.446 1.00 1.47 O ATOM 1795 OE2 GLU A 130 -4.758 11.338 -7.547 1.00 1.27 O ATOM 0 H GLU A 130 -4.710 9.827 -2.662 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.027 9.054 -3.120 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -2.626 9.086 -5.426 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -4.044 8.540 -4.554 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -5.256 10.435 -5.030 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -3.843 11.471 -5.077 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.574 12.236 -3.120 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.933 13.537 -3.227 1.00 0.28 C ATOM 1804 C LYS A 131 -0.669 13.558 -2.386 1.00 0.25 C ATOM 1805 O LYS A 131 0.357 14.092 -2.802 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.881 14.650 -2.775 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.607 15.337 -3.920 1.00 0.80 C ATOM 1808 CD LYS A 131 -5.063 14.906 -3.990 1.00 1.18 C ATOM 1809 CE LYS A 131 -5.833 15.684 -5.043 1.00 1.56 C ATOM 1810 NZ LYS A 131 -6.549 16.853 -4.459 1.00 2.24 N ATOM 0 H LYS A 131 -3.492 12.251 -2.675 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.675 13.711 -4.272 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.617 14.232 -2.089 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.313 15.395 -2.218 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -3.552 16.418 -3.792 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -3.110 15.102 -4.861 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -5.116 13.841 -4.214 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -5.532 15.050 -3.017 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -5.145 16.029 -5.815 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -6.552 15.024 -5.528 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.563 17.632 -5.148 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -7.525 16.581 -4.225 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -6.060 17.164 -3.595 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.749 12.946 -1.212 1.00 0.28 N ATOM 1825 CA ILE A 132 0.396 12.846 -0.322 1.00 0.33 C ATOM 1826 C ILE A 132 1.387 11.826 -0.861 1.00 0.26 C ATOM 1827 O ILE A 132 2.600 11.983 -0.714 1.00 0.29 O ATOM 1828 CB ILE A 132 -0.015 12.436 1.109 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.384 13.015 1.469 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.037 12.892 2.110 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.979 12.410 2.720 1.00 0.59 C ATOM 0 H ILE A 132 -1.599 12.510 -0.854 1.00 0.28 H new ATOM 0 HA ILE A 132 0.854 13.834 -0.276 1.00 0.33 H new ATOM 0 HB ILE A 132 -0.087 11.349 1.148 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -1.291 14.093 1.604 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -2.069 12.856 0.636 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.735 12.597 3.115 1.00 1.23 H new ATOM 0 HG22 ILE A 132 1.994 12.430 1.868 1.00 1.23 H new ATOM 0 HG23 ILE A 132 1.136 13.977 2.065 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.949 12.865 2.918 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -2.103 11.336 2.581 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -1.314 12.592 3.564 1.00 0.59 H new ATOM 1843 N PHE A 133 0.854 10.786 -1.496 1.00 0.25 N ATOM 1844 CA PHE A 133 1.677 9.745 -2.091 1.00 0.28 C ATOM 1845 C PHE A 133 2.636 10.341 -3.116 1.00 0.26 C ATOM 1846 O PHE A 133 3.849 10.296 -2.932 1.00 0.28 O ATOM 1847 CB PHE A 133 0.795 8.682 -2.750 1.00 0.34 C ATOM 1848 CG PHE A 133 1.576 7.621 -3.472 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.531 6.873 -2.804 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.364 7.381 -4.820 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.260 5.907 -3.464 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.090 6.411 -5.486 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.040 5.675 -4.806 1.00 0.44 C ATOM 0 H PHE A 133 -0.150 10.644 -1.610 1.00 0.25 H new ATOM 0 HA PHE A 133 2.262 9.275 -1.300 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.176 8.211 -1.987 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.119 9.167 -3.454 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.707 7.049 -1.753 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.624 7.957 -5.356 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.003 5.332 -2.931 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.914 6.229 -6.536 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.610 4.918 -5.324 1.00 0.44 H new ATOM 1863 N LEU A 134 2.091 10.941 -4.168 1.00 0.27 N ATOM 1864 CA LEU A 134 2.918 11.497 -5.232 1.00 0.34 C ATOM 1865 C LEU A 134 3.776 12.648 -4.706 1.00 0.34 C ATOM 1866 O LEU A 134 4.868 12.901 -5.211 1.00 0.43 O ATOM 1867 CB LEU A 134 2.050 11.957 -6.411 1.00 0.42 C ATOM 1868 CG LEU A 134 1.365 13.316 -6.248 1.00 0.47 C ATOM 1869 CD1 LEU A 134 2.010 14.349 -7.158 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.121 13.202 -6.545 1.00 0.59 C ATOM 0 H LEU A 134 1.087 11.054 -4.307 1.00 0.27 H new ATOM 0 HA LEU A 134 3.586 10.713 -5.589 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.674 11.991 -7.304 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.282 11.204 -6.587 1.00 0.42 H new ATOM 0 HG LEU A 134 1.487 13.641 -5.215 1.00 0.47 H new ATOM 0 HD11 LEU A 134 1.511 15.309 -7.029 1.00 0.64 H new ATOM 0 HD12 LEU A 134 3.065 14.451 -6.902 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.918 14.028 -8.196 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -0.592 14.177 -6.424 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.262 12.855 -7.569 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.576 12.491 -5.855 1.00 0.59 H new ATOM 1882 N GLN A 135 3.274 13.319 -3.676 1.00 0.29 N ATOM 1883 CA GLN A 135 3.984 14.413 -3.034 1.00 0.35 C ATOM 1884 C GLN A 135 5.314 13.946 -2.453 1.00 0.36 C ATOM 1885 O GLN A 135 6.362 14.541 -2.706 1.00 0.55 O ATOM 1886 CB GLN A 135 3.115 14.993 -1.922 1.00 0.37 C ATOM 1887 CG GLN A 135 2.825 16.472 -2.081 1.00 0.51 C ATOM 1888 CD GLN A 135 3.197 17.266 -0.845 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.234 16.731 0.264 1.00 1.43 O ATOM 1890 NE2 GLN A 135 3.475 18.546 -1.026 1.00 1.61 N ATOM 0 H GLN A 135 2.363 13.118 -3.264 1.00 0.29 H new ATOM 0 HA GLN A 135 4.193 15.175 -3.785 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.171 14.449 -1.890 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.610 14.830 -0.965 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.377 16.858 -2.938 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.765 16.612 -2.295 1.00 0.51 H new ATOM 0 HE21 GLN A 135 3.432 18.950 -1.962 1.00 1.61 H new ATOM 0 HE22 GLN A 135 3.732 19.130 -0.230 1.00 1.61 H new ATOM 1899 N LYS A 136 5.261 12.878 -1.671 1.00 0.25 N ATOM 1900 CA LYS A 136 6.450 12.345 -1.023 1.00 0.26 C ATOM 1901 C LYS A 136 7.314 11.578 -2.022 1.00 0.23 C ATOM 1902 O LYS A 136 8.537 11.521 -1.889 1.00 0.25 O ATOM 1903 CB LYS A 136 6.052 11.442 0.148 1.00 0.32 C ATOM 1904 CG LYS A 136 6.233 12.093 1.515 1.00 0.54 C ATOM 1905 CD LYS A 136 5.090 13.047 1.844 1.00 0.50 C ATOM 1906 CE LYS A 136 5.592 14.284 2.574 1.00 0.63 C ATOM 1907 NZ LYS A 136 4.797 15.494 2.234 1.00 1.52 N ATOM 0 H LYS A 136 4.404 12.362 -1.469 1.00 0.25 H new ATOM 0 HA LYS A 136 7.037 13.179 -0.638 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.009 11.149 0.031 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.646 10.529 0.109 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.293 11.320 2.281 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.178 12.636 1.537 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.586 13.345 0.924 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.352 12.534 2.460 1.00 0.50 H new ATOM 0 HE2 LYS A 136 5.549 14.112 3.650 1.00 0.63 H new ATOM 0 HE3 LYS A 136 6.638 14.455 2.320 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 5.388 16.342 2.350 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 4.473 15.430 1.248 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 3.973 15.557 2.866 1.00 1.52 H new ATOM 1921 N VAL A 137 6.671 11.008 -3.034 1.00 0.23 N ATOM 1922 CA VAL A 137 7.369 10.248 -4.063 1.00 0.25 C ATOM 1923 C VAL A 137 8.187 11.175 -4.959 1.00 0.30 C ATOM 1924 O VAL A 137 9.234 10.790 -5.481 1.00 0.33 O ATOM 1925 CB VAL A 137 6.377 9.422 -4.915 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.057 8.808 -6.130 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.738 8.339 -4.067 1.00 0.33 C ATOM 0 H VAL A 137 5.661 11.059 -3.164 1.00 0.23 H new ATOM 0 HA VAL A 137 8.048 9.558 -3.562 1.00 0.25 H new ATOM 0 HB VAL A 137 5.603 10.099 -5.277 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.329 8.235 -6.704 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.470 9.600 -6.755 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.861 8.148 -5.803 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.041 7.763 -4.676 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.512 7.677 -3.678 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.201 8.797 -3.236 1.00 0.33 H new ATOM 1937 N ALA A 138 7.721 12.408 -5.106 1.00 0.34 N ATOM 1938 CA ALA A 138 8.434 13.401 -5.891 1.00 0.43 C ATOM 1939 C ALA A 138 9.726 13.810 -5.191 1.00 0.43 C ATOM 1940 O ALA A 138 10.628 14.379 -5.804 1.00 0.50 O ATOM 1941 CB ALA A 138 7.552 14.618 -6.133 1.00 0.50 C ATOM 0 H ALA A 138 6.851 12.743 -4.691 1.00 0.34 H new ATOM 0 HA ALA A 138 8.690 12.961 -6.855 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.100 15.353 -6.722 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.655 14.316 -6.673 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.269 15.058 -5.177 1.00 0.50 H new ATOM 1947 N GLN A 139 9.810 13.514 -3.900 1.00 0.39 N ATOM 1948 CA GLN A 139 10.987 13.841 -3.116 1.00 0.43 C ATOM 1949 C GLN A 139 11.806 12.590 -2.814 1.00 0.40 C ATOM 1950 O GLN A 139 12.777 12.636 -2.056 1.00 0.45 O ATOM 1951 CB GLN A 139 10.578 14.538 -1.820 1.00 0.45 C ATOM 1952 CG GLN A 139 9.468 15.557 -2.016 1.00 0.54 C ATOM 1953 CD GLN A 139 9.953 16.985 -1.865 1.00 1.08 C ATOM 1954 OE1 GLN A 139 9.626 17.669 -0.896 1.00 1.76 O ATOM 1955 NE2 GLN A 139 10.742 17.446 -2.823 1.00 1.56 N ATOM 0 H GLN A 139 9.072 13.046 -3.375 1.00 0.39 H new ATOM 0 HA GLN A 139 11.611 14.519 -3.699 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.252 13.789 -1.099 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.448 15.035 -1.392 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.033 15.428 -3.007 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.675 15.368 -1.292 1.00 0.54 H new ATOM 0 HE21 GLN A 139 10.991 16.848 -3.611 1.00 1.56 H new ATOM 0 HE22 GLN A 139 11.101 18.399 -2.773 1.00 1.56 H new ATOM 1964 N MET A 140 11.405 11.474 -3.406 1.00 0.35 N ATOM 1965 CA MET A 140 12.135 10.220 -3.250 1.00 0.35 C ATOM 1966 C MET A 140 13.471 10.290 -3.983 1.00 0.40 C ATOM 1967 O MET A 140 13.590 10.981 -4.999 1.00 0.48 O ATOM 1968 CB MET A 140 11.305 9.054 -3.786 1.00 0.38 C ATOM 1969 CG MET A 140 10.416 8.408 -2.739 1.00 0.66 C ATOM 1970 SD MET A 140 10.905 6.719 -2.373 1.00 0.86 S ATOM 1971 CE MET A 140 10.456 5.929 -3.912 1.00 0.67 C ATOM 0 H MET A 140 10.578 11.409 -3.999 1.00 0.35 H new ATOM 0 HA MET A 140 12.324 10.059 -2.189 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.684 9.409 -4.609 1.00 0.38 H new ATOM 0 HB3 MET A 140 11.976 8.299 -4.196 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.449 8.999 -1.824 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.383 8.417 -3.088 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.872 5.032 -3.704 1.00 0.67 H new ATOM 0 HE2 MET A 140 9.863 6.617 -4.515 1.00 0.67 H new ATOM 0 HE3 MET A 140 11.359 5.655 -4.457 1.00 0.67 H new ATOM 1981 N PRO A 141 14.501 9.582 -3.488 1.00 0.42 N ATOM 1982 CA PRO A 141 15.825 9.614 -4.100 1.00 0.52 C ATOM 1983 C PRO A 141 15.877 8.784 -5.378 1.00 0.61 C ATOM 1984 O PRO A 141 15.967 7.555 -5.327 1.00 0.67 O ATOM 1985 CB PRO A 141 16.722 9.004 -3.023 1.00 0.55 C ATOM 1986 CG PRO A 141 15.839 8.066 -2.282 1.00 0.53 C ATOM 1987 CD PRO A 141 14.462 8.691 -2.306 1.00 0.46 C ATOM 0 HA PRO A 141 16.123 10.619 -4.398 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.572 8.483 -3.464 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.126 9.772 -2.363 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.830 7.083 -2.752 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.187 7.927 -1.259 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.681 7.936 -2.399 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.259 9.248 -1.391 1.00 0.46 H new ATOM 1995 N GLN A 142 15.846 9.463 -6.518 1.00 0.76 N ATOM 1996 CA GLN A 142 15.890 8.799 -7.819 1.00 0.94 C ATOM 1997 C GLN A 142 17.316 8.373 -8.150 1.00 0.93 C ATOM 1998 O GLN A 142 17.691 8.242 -9.312 1.00 1.17 O ATOM 1999 CB GLN A 142 15.347 9.720 -8.912 1.00 1.21 C ATOM 2000 CG GLN A 142 13.868 9.511 -9.200 1.00 1.60 C ATOM 2001 CD GLN A 142 13.077 10.803 -9.132 1.00 2.34 C ATOM 2002 OE1 GLN A 142 12.513 11.254 -10.132 1.00 2.87 O ATOM 2003 NE2 GLN A 142 13.017 11.406 -7.952 1.00 2.91 N ATOM 0 H GLN A 142 15.790 10.480 -6.570 1.00 0.76 H new ATOM 0 HA GLN A 142 15.261 7.910 -7.771 1.00 0.94 H new ATOM 0 HB2 GLN A 142 15.509 10.757 -8.617 1.00 1.21 H new ATOM 0 HB3 GLN A 142 15.914 9.557 -9.828 1.00 1.21 H new ATOM 0 HG2 GLN A 142 13.752 9.069 -10.190 1.00 1.60 H new ATOM 0 HG3 GLN A 142 13.458 8.799 -8.483 1.00 1.60 H new ATOM 0 HE21 GLN A 142 13.497 11.002 -7.148 1.00 2.91 H new ATOM 0 HE22 GLN A 142 12.491 12.274 -7.849 1.00 2.91 H new ATOM 2012 N GLU A 143 18.100 8.177 -7.103 1.00 0.80 N ATOM 2013 CA GLU A 143 19.461 7.708 -7.221 1.00 0.91 C ATOM 2014 C GLU A 143 19.499 6.232 -6.891 1.00 0.87 C ATOM 2015 O GLU A 143 20.285 5.470 -7.451 1.00 1.20 O ATOM 2016 CB GLU A 143 20.352 8.462 -6.245 1.00 1.04 C ATOM 2017 CG GLU A 143 20.270 9.972 -6.380 1.00 1.22 C ATOM 2018 CD GLU A 143 21.485 10.559 -7.062 1.00 1.94 C ATOM 2019 OE1 GLU A 143 22.599 10.034 -6.850 1.00 2.30 O ATOM 2020 OE2 GLU A 143 21.335 11.541 -7.822 1.00 2.70 O ATOM 0 H GLU A 143 17.803 8.342 -6.141 1.00 0.80 H new ATOM 0 HA GLU A 143 19.819 7.876 -8.237 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.078 8.182 -5.228 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.385 8.149 -6.395 1.00 1.04 H new ATOM 0 HG2 GLU A 143 19.377 10.235 -6.947 1.00 1.22 H new ATOM 0 HG3 GLU A 143 20.162 10.417 -5.391 1.00 1.22 H new ATOM 2027 N GLU A 144 18.630 5.858 -5.954 1.00 0.77 N ATOM 2028 CA GLU A 144 18.524 4.489 -5.471 1.00 0.77 C ATOM 2029 C GLU A 144 19.852 4.045 -4.862 1.00 0.82 C ATOM 2030 O GLU A 144 20.605 3.270 -5.453 1.00 1.16 O ATOM 2031 CB GLU A 144 18.102 3.541 -6.601 1.00 0.82 C ATOM 2032 CG GLU A 144 17.241 2.379 -6.134 1.00 1.04 C ATOM 2033 CD GLU A 144 15.879 2.360 -6.799 1.00 1.58 C ATOM 2034 OE1 GLU A 144 15.600 3.272 -7.604 1.00 2.34 O ATOM 2035 OE2 GLU A 144 15.089 1.429 -6.527 1.00 1.87 O ATOM 0 H GLU A 144 17.977 6.502 -5.508 1.00 0.77 H new ATOM 0 HA GLU A 144 17.755 4.452 -4.699 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.554 4.108 -7.354 1.00 0.82 H new ATOM 0 HB3 GLU A 144 18.995 3.148 -7.086 1.00 0.82 H new ATOM 0 HG2 GLU A 144 17.757 1.442 -6.344 1.00 1.04 H new ATOM 0 HG3 GLU A 144 17.113 2.438 -5.053 1.00 1.04 H new ATOM 2042 N VAL A 145 20.126 4.550 -3.672 1.00 0.63 N ATOM 2043 CA VAL A 145 21.385 4.288 -2.998 1.00 0.68 C ATOM 2044 C VAL A 145 21.192 3.152 -2.013 1.00 0.61 C ATOM 2045 O VAL A 145 20.162 3.086 -1.356 1.00 0.61 O ATOM 2046 CB VAL A 145 21.883 5.542 -2.243 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.285 5.324 -1.700 1.00 0.99 C ATOM 2048 CG2 VAL A 145 21.840 6.768 -3.147 1.00 0.88 C ATOM 0 H VAL A 145 19.487 5.149 -3.149 1.00 0.63 H new ATOM 0 HA VAL A 145 22.131 4.019 -3.746 1.00 0.68 H new ATOM 0 HB VAL A 145 21.216 5.717 -1.399 1.00 0.78 H new ATOM 0 HG11 VAL A 145 23.614 6.219 -1.173 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.281 4.479 -1.012 1.00 0.99 H new ATOM 0 HG13 VAL A 145 23.967 5.117 -2.525 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.194 7.639 -2.596 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.479 6.603 -4.015 1.00 0.88 H new ATOM 0 HG23 VAL A 145 20.816 6.940 -3.478 1.00 0.88 H new ATOM 2058 N GLU A 146 22.153 2.253 -1.918 1.00 0.66 N ATOM 2059 CA GLU A 146 22.043 1.149 -0.979 1.00 0.68 C ATOM 2060 C GLU A 146 22.556 1.571 0.395 1.00 0.72 C ATOM 2061 O GLU A 146 23.392 2.474 0.505 1.00 0.75 O ATOM 2062 CB GLU A 146 22.797 -0.076 -1.488 1.00 0.79 C ATOM 2063 CG GLU A 146 22.473 -1.346 -0.718 1.00 1.00 C ATOM 2064 CD GLU A 146 22.603 -2.600 -1.552 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.567 -2.711 -2.339 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.753 -3.497 -1.406 1.00 1.24 O ATOM 0 H GLU A 146 23.010 2.263 -2.472 1.00 0.66 H new ATOM 0 HA GLU A 146 20.991 0.878 -0.887 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.560 -0.228 -2.541 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.868 0.114 -1.426 1.00 0.79 H new ATOM 0 HG2 GLU A 146 23.137 -1.420 0.143 1.00 1.00 H new ATOM 0 HG3 GLU A 146 21.456 -1.279 -0.331 1.00 1.00 H new ATOM 2073 N LEU A 147 22.045 0.932 1.437 1.00 0.76 N ATOM 2074 CA LEU A 147 22.398 1.296 2.798 1.00 0.86 C ATOM 2075 C LEU A 147 23.339 0.266 3.408 1.00 1.01 C ATOM 2076 O LEU A 147 23.842 0.507 4.528 1.00 1.57 O ATOM 2077 CB LEU A 147 21.143 1.407 3.663 1.00 0.86 C ATOM 2078 CG LEU A 147 20.228 2.590 3.352 1.00 0.76 C ATOM 2079 CD1 LEU A 147 18.934 2.466 4.139 1.00 0.80 C ATOM 2080 CD2 LEU A 147 20.918 3.907 3.667 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.553 -0.797 2.783 1.00 1.46 O ATOM 0 H LEU A 147 21.384 0.158 1.364 1.00 0.76 H new ATOM 0 HA LEU A 147 22.902 2.262 2.765 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.567 0.488 3.556 1.00 0.86 H new ATOM 0 HB3 LEU A 147 21.448 1.472 4.707 1.00 0.86 H new ATOM 0 HG LEU A 147 19.997 2.578 2.287 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.287 3.313 3.912 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.429 1.540 3.865 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.157 2.456 5.206 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.246 4.734 3.437 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.181 3.936 4.724 1.00 0.82 H new ATOM 0 HD23 LEU A 147 21.823 3.997 3.066 1.00 0.82 H new TER 2093 LEU A 147 ATOM 2094 N GLY B 311 -18.082 -0.968 8.343 1.00 2.17 N ATOM 2095 CA GLY B 311 -18.246 -1.749 7.094 1.00 1.75 C ATOM 2096 C GLY B 311 -17.730 -0.997 5.886 1.00 1.45 C ATOM 2097 O GLY B 311 -18.005 0.195 5.727 1.00 1.85 O ATOM 0 HA2 GLY B 311 -17.715 -2.696 7.186 1.00 1.75 H new ATOM 0 HA3 GLY B 311 -19.300 -1.987 6.950 1.00 1.75 H new HETATM 2101 OH ALY B 312 -13.278 -0.541 -0.149 1.00 1.52 O HETATM 2102 CH ALY B 312 -12.096 -0.896 -0.162 1.00 1.37 C HETATM 2103 CH3 ALY B 312 -11.354 -1.066 -1.459 1.00 1.86 C HETATM 2104 NZ ALY B 312 -11.404 -1.157 0.944 1.00 1.27 N HETATM 2105 CE ALY B 312 -11.952 -1.046 2.293 1.00 1.51 C HETATM 2106 CD ALY B 312 -12.949 -2.152 2.596 1.00 1.71 C HETATM 2107 CG ALY B 312 -13.958 -1.722 3.648 1.00 1.76 C HETATM 2108 CB ALY B 312 -15.383 -2.003 3.203 1.00 1.59 C HETATM 2109 CA ALY B 312 -16.412 -1.073 3.844 1.00 1.22 C HETATM 2110 N ALY B 312 -16.975 -1.685 5.037 1.00 1.27 N HETATM 2111 C ALY B 312 -17.507 -0.724 2.843 1.00 1.31 C HETATM 2112 O ALY B 312 -17.996 -1.581 2.107 1.00 1.71 O HETATM 0 HH33 ALY B 312 -11.852 -1.821 -2.067 1.00 1.86 H new HETATM 0 HH32 ALY B 312 -11.340 -0.118 -1.997 1.00 1.86 H new HETATM 0 HH31 ALY B 312 -10.331 -1.382 -1.254 1.00 1.86 H new HETATM 0 HZ ALY B 312 -10.433 -1.452 0.844 1.00 1.27 H new HETATM 0 HG3 ALY B 312 -13.842 -0.657 3.850 1.00 1.76 H new HETATM 0 HG2 ALY B 312 -13.757 -2.247 4.582 1.00 1.76 H new HETATM 0 HE3 ALY B 312 -12.439 -0.078 2.408 1.00 1.51 H new HETATM 0 HE2 ALY B 312 -11.139 -1.082 3.018 1.00 1.51 H new HETATM 0 HD3 ALY B 312 -12.417 -3.038 2.942 1.00 1.71 H new HETATM 0 HD2 ALY B 312 -13.472 -2.432 1.682 1.00 1.71 H new HETATM 0 HCA ALY B 312 -15.914 -0.150 4.139 1.00 1.22 H new HETATM 0 HB3 ALY B 312 -15.635 -3.035 3.446 1.00 1.59 H new HETATM 0 HB2 ALY B 312 -15.443 -1.907 2.119 1.00 1.59 H new HETATM 0 H ALY B 312 -16.665 -2.612 5.330 1.00 1.27 H new ATOM 2127 N GLY B 313 -17.894 0.541 2.837 1.00 1.29 N ATOM 2128 CA GLY B 313 -18.952 1.002 1.966 1.00 1.46 C ATOM 2129 C GLY B 313 -19.641 2.216 2.545 1.00 1.36 C ATOM 2130 O GLY B 313 -20.086 3.106 1.819 1.00 1.97 O ATOM 0 H GLY B 313 -17.487 1.265 3.429 1.00 1.29 H new ATOM 0 HA2 GLY B 313 -18.541 1.246 0.986 1.00 1.46 H new ATOM 0 HA3 GLY B 313 -19.679 0.204 1.817 1.00 1.46 H new ATOM 2134 N LYS B 314 -19.723 2.250 3.864 1.00 1.20 N ATOM 2135 CA LYS B 314 -20.295 3.384 4.565 1.00 1.15 C ATOM 2136 C LYS B 314 -19.468 3.690 5.802 1.00 1.02 C ATOM 2137 O LYS B 314 -19.494 2.941 6.778 1.00 1.28 O ATOM 2138 CB LYS B 314 -21.748 3.103 4.954 1.00 1.53 C ATOM 2139 CG LYS B 314 -22.761 3.907 4.154 1.00 1.97 C ATOM 2140 CD LYS B 314 -22.569 5.404 4.349 1.00 2.24 C ATOM 2141 CE LYS B 314 -22.562 6.145 3.020 1.00 2.95 C ATOM 2142 NZ LYS B 314 -21.339 5.858 2.224 1.00 3.58 N ATOM 0 H LYS B 314 -19.398 1.499 4.473 1.00 1.20 H new ATOM 0 HA LYS B 314 -20.283 4.249 3.902 1.00 1.15 H new ATOM 0 HB2 LYS B 314 -21.952 2.041 4.819 1.00 1.53 H new ATOM 0 HB3 LYS B 314 -21.880 3.321 6.014 1.00 1.53 H new ATOM 0 HG2 LYS B 314 -22.666 3.662 3.096 1.00 1.97 H new ATOM 0 HG3 LYS B 314 -23.770 3.627 4.457 1.00 1.97 H new ATOM 0 HD2 LYS B 314 -23.367 5.795 4.980 1.00 2.24 H new ATOM 0 HD3 LYS B 314 -21.631 5.586 4.873 1.00 2.24 H new ATOM 0 HE2 LYS B 314 -23.443 5.863 2.444 1.00 2.95 H new ATOM 0 HE3 LYS B 314 -22.631 7.217 3.203 1.00 2.95 H new ATOM 0 HZ1 LYS B 314 -21.248 6.560 1.462 1.00 3.58 H new ATOM 0 HZ2 LYS B 314 -20.503 5.908 2.841 1.00 3.58 H new ATOM 0 HZ3 LYS B 314 -21.409 4.906 1.812 1.00 3.58 H new HETATM 2156 OH ALY B 315 -15.516 0.222 8.118 1.00 1.76 O HETATM 2157 CH ALY B 315 -14.521 0.330 7.399 1.00 1.07 C HETATM 2158 CH3 ALY B 315 -13.345 -0.592 7.558 1.00 1.45 C HETATM 2159 NZ ALY B 315 -14.415 1.252 6.451 1.00 1.04 N HETATM 2160 CE ALY B 315 -15.459 2.230 6.156 1.00 1.26 C HETATM 2161 CD ALY B 315 -14.890 3.543 5.640 1.00 1.06 C HETATM 2162 CG ALY B 315 -15.992 4.503 5.214 1.00 0.98 C HETATM 2163 CB ALY B 315 -16.424 5.416 6.357 1.00 0.92 C HETATM 2164 CA ALY B 315 -17.855 5.163 6.851 1.00 0.90 C HETATM 2165 N ALY B 315 -18.716 4.775 5.745 1.00 0.86 N HETATM 2166 C ALY B 315 -18.406 6.404 7.539 1.00 1.19 C HETATM 2167 O ALY B 315 -19.037 7.249 6.900 1.00 1.94 O HETATM 0 HH33 ALY B 315 -12.940 -0.495 8.565 1.00 1.45 H new HETATM 0 HH32 ALY B 315 -13.665 -1.621 7.393 1.00 1.45 H new HETATM 0 HH31 ALY B 315 -12.576 -0.330 6.831 1.00 1.45 H new HETATM 0 HZ ALY B 315 -13.558 1.279 5.898 1.00 1.04 H new HETATM 0 HG3 ALY B 315 -16.851 3.935 4.859 1.00 0.98 H new HETATM 0 HG2 ALY B 315 -15.643 5.109 4.378 1.00 0.98 H new HETATM 0 HE3 ALY B 315 -16.042 2.418 7.057 1.00 1.26 H new HETATM 0 HE2 ALY B 315 -16.142 1.816 5.414 1.00 1.26 H new HETATM 0 HD3 ALY B 315 -14.231 3.347 4.795 1.00 1.06 H new HETATM 0 HD2 ALY B 315 -14.283 4.007 6.417 1.00 1.06 H new HETATM 0 HCA ALY B 315 -17.830 4.346 7.573 1.00 0.90 H new HETATM 0 HB3 ALY B 315 -16.341 6.453 6.031 1.00 0.92 H new HETATM 0 HB2 ALY B 315 -15.734 5.288 7.191 1.00 0.92 H new ATOM 2182 N LYS B 316 -18.170 6.511 8.836 1.00 1.45 N ATOM 2183 CA LYS B 316 -18.681 7.631 9.609 1.00 1.75 C ATOM 2184 C LYS B 316 -17.549 8.573 9.986 1.00 2.25 C ATOM 2185 O LYS B 316 -17.577 9.741 9.552 1.00 2.57 O ATOM 2186 CB LYS B 316 -19.393 7.132 10.867 1.00 2.43 C ATOM 2187 CG LYS B 316 -20.907 7.119 10.739 1.00 2.91 C ATOM 2188 CD LYS B 316 -21.550 6.264 11.818 1.00 3.60 C ATOM 2189 CE LYS B 316 -22.356 5.121 11.225 1.00 4.12 C ATOM 2190 NZ LYS B 316 -23.772 5.507 10.983 1.00 4.60 N ATOM 0 H LYS B 316 -17.628 5.836 9.376 1.00 1.45 H new ATOM 0 HA LYS B 316 -19.399 8.174 8.995 1.00 1.75 H new ATOM 0 HB2 LYS B 316 -19.047 6.124 11.096 1.00 2.43 H new ATOM 0 HB3 LYS B 316 -19.112 7.764 11.709 1.00 2.43 H new ATOM 0 HG2 LYS B 316 -21.288 8.138 10.806 1.00 2.91 H new ATOM 0 HG3 LYS B 316 -21.187 6.738 9.757 1.00 2.91 H new ATOM 0 HD2 LYS B 316 -20.777 5.862 12.473 1.00 3.60 H new ATOM 0 HD3 LYS B 316 -22.199 6.885 12.435 1.00 3.60 H new ATOM 0 HE2 LYS B 316 -21.901 4.804 10.287 1.00 4.12 H new ATOM 0 HE3 LYS B 316 -22.323 4.266 11.900 1.00 4.12 H new ATOM 0 HZ1 LYS B 316 -24.288 4.700 10.578 1.00 4.60 H new ATOM 0 HZ2 LYS B 316 -24.215 5.785 11.882 1.00 4.60 H new ATOM 0 HZ3 LYS B 316 -23.805 6.307 10.319 1.00 4.60 H new TER 2204 LYS B 316