USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1074 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 TYR OH : rot -18:sc= 2.23 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -137:sc= 1.39 (180deg=-0.000278) USER MOD Set 1.3: A 57 THR OG1 : rot 55:sc= 0.732 USER MOD Set 2.1: A 18 GLN : amide:sc=-0.00571 K(o=2.5,f=-8.9!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 157:sc= 2.49 (180deg=0.671) USER MOD Set 3.1: A 4 THR OG1 : rot 180:sc= 0.976 USER MOD Set 3.2: A 7 SER OG : rot -93:sc= 1.13 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00911 X(o=-0.0091,f=0) USER MOD Single : A 8 SER OG : rot 160:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ 140:sc= 0.0347 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -130:sc= -0.688 USER MOD Single : A 12 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-4.1!) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0391) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.109 K(o=0.11,f=-8!) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.16) USER MOD Single : A 27 MET CE :methyl -127:sc= -0.167 (180deg=-0.68) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0514 (180deg=-0.385) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 1.25 (180deg=0.946) USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -0.112 (180deg=-0.545) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.918) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.473 USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= 2.19 (180deg=0.355) USER MOD Single : A 59 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.11) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -134:sc= 1.22 (180deg=0.385) USER MOD Single : A 70 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.12) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc= -0.178 (180deg=-1.51!) USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -0.137 (180deg=-0.541) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 162:sc= -0.0981 (180deg=-0.485) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -140:sc= -1.63! USER MOD Single : A 90 LYS NZ :NH3+ 167:sc=-0.00497 (180deg=-0.148) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.09) USER MOD Single : A 96 LYS NZ :NH3+ -170:sc= -0.0119 (180deg=-0.132) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot -14:sc= 1.07 USER MOD Single : A 109 LYS NZ :NH3+ -158:sc= 0.972 (180deg=0.413) USER MOD Single : A 110 LYS NZ :NH3+ -109:sc= -0.364 (180deg=-1.89) USER MOD Single : A 111 GLN : amide:sc= -0.78 K(o=-0.78,f=-0.2) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= -0.0323 (180deg=-0.279) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 THR OG1 : rot 53:sc= 0.047 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -15.052 16.872 -16.248 1.00 12.20 N ATOM 2 CA GLY A -4 -14.026 17.524 -15.399 1.00 11.71 C ATOM 3 C GLY A -4 -12.956 16.548 -14.964 1.00 10.84 C ATOM 4 O GLY A -4 -13.240 15.362 -14.780 1.00 10.86 O ATOM 0 H1 GLY A -4 -15.994 17.233 -15.994 1.00 12.20 H new ATOM 0 H2 GLY A -4 -14.859 17.082 -17.248 1.00 12.20 H new ATOM 0 H3 GLY A -4 -15.024 15.843 -16.098 1.00 12.20 H new ATOM 0 HA2 GLY A -4 -13.567 18.345 -15.949 1.00 11.71 H new ATOM 0 HA3 GLY A -4 -14.503 17.957 -14.520 1.00 11.71 H new ATOM 9 N SER A -3 -11.731 17.046 -14.804 1.00 10.23 N ATOM 10 CA SER A -3 -10.594 16.213 -14.425 1.00 9.45 C ATOM 11 C SER A -3 -10.366 15.105 -15.459 1.00 8.46 C ATOM 12 O SER A -3 -10.669 13.938 -15.214 1.00 8.10 O ATOM 13 CB SER A -3 -10.818 15.611 -13.030 1.00 9.56 C ATOM 14 OG SER A -3 -11.103 16.626 -12.078 1.00 9.90 O ATOM 0 H SER A -3 -11.501 18.031 -14.933 1.00 10.23 H new ATOM 0 HA SER A -3 -9.702 16.839 -14.395 1.00 9.45 H new ATOM 0 HB2 SER A -3 -11.642 14.899 -13.065 1.00 9.56 H new ATOM 0 HB3 SER A -3 -9.931 15.057 -12.722 1.00 9.56 H new ATOM 0 HG SER A -3 -11.244 16.219 -11.198 1.00 9.90 H new ATOM 20 N PRO A -2 -9.823 15.462 -16.633 1.00 8.27 N ATOM 21 CA PRO A -2 -9.625 14.515 -17.728 1.00 7.59 C ATOM 22 C PRO A -2 -8.419 13.607 -17.505 1.00 6.73 C ATOM 23 O PRO A -2 -7.522 13.936 -16.721 1.00 6.54 O ATOM 24 CB PRO A -2 -9.401 15.423 -18.934 1.00 8.12 C ATOM 25 CG PRO A -2 -8.780 16.650 -18.367 1.00 8.87 C ATOM 26 CD PRO A -2 -9.348 16.813 -16.982 1.00 9.01 C ATOM 0 HA PRO A -2 -10.468 13.833 -17.839 1.00 7.59 H new ATOM 0 HB2 PRO A -2 -8.749 14.952 -19.670 1.00 8.12 H new ATOM 0 HB3 PRO A -2 -10.340 15.650 -19.439 1.00 8.12 H new ATOM 0 HG2 PRO A -2 -7.695 16.556 -18.333 1.00 8.87 H new ATOM 0 HG3 PRO A -2 -9.005 17.520 -18.984 1.00 8.87 H new ATOM 0 HD2 PRO A -2 -8.593 17.165 -16.279 1.00 9.01 H new ATOM 0 HD3 PRO A -2 -10.161 17.539 -16.966 1.00 9.01 H new ATOM 34 N GLU A -1 -8.417 12.467 -18.195 1.00 6.51 N ATOM 35 CA GLU A -1 -7.339 11.488 -18.099 1.00 6.05 C ATOM 36 C GLU A -1 -7.089 11.069 -16.658 1.00 5.17 C ATOM 37 O GLU A -1 -6.095 11.461 -16.041 1.00 5.34 O ATOM 38 CB GLU A -1 -6.053 12.022 -18.736 1.00 6.62 C ATOM 39 CG GLU A -1 -6.120 12.088 -20.252 1.00 7.11 C ATOM 40 CD GLU A -1 -6.395 10.734 -20.872 1.00 7.82 C ATOM 41 OE1 GLU A -1 -5.429 9.995 -21.160 1.00 8.29 O ATOM 42 OE2 GLU A -1 -7.579 10.403 -21.086 1.00 8.12 O ATOM 0 H GLU A -1 -9.163 12.198 -18.836 1.00 6.51 H new ATOM 0 HA GLU A -1 -7.655 10.603 -18.652 1.00 6.05 H new ATOM 0 HB2 GLU A -1 -5.847 13.018 -18.344 1.00 6.62 H new ATOM 0 HB3 GLU A -1 -5.218 11.385 -18.443 1.00 6.62 H new ATOM 0 HG2 GLU A -1 -6.901 12.787 -20.549 1.00 7.11 H new ATOM 0 HG3 GLU A -1 -5.179 12.478 -20.639 1.00 7.11 H new ATOM 49 N PHE A 0 -8.009 10.280 -16.124 1.00 4.52 N ATOM 50 CA PHE A 0 -7.863 9.731 -14.791 1.00 3.81 C ATOM 51 C PHE A 0 -6.762 8.680 -14.784 1.00 2.87 C ATOM 52 O PHE A 0 -6.937 7.571 -15.293 1.00 2.71 O ATOM 53 CB PHE A 0 -9.181 9.119 -14.304 1.00 4.15 C ATOM 54 CG PHE A 0 -9.072 8.455 -12.960 1.00 4.33 C ATOM 55 CD1 PHE A 0 -8.782 9.199 -11.826 1.00 4.83 C ATOM 56 CD2 PHE A 0 -9.262 7.087 -12.828 1.00 4.43 C ATOM 57 CE1 PHE A 0 -8.686 8.594 -10.589 1.00 5.34 C ATOM 58 CE2 PHE A 0 -9.167 6.478 -11.592 1.00 4.95 C ATOM 59 CZ PHE A 0 -8.864 7.223 -10.477 1.00 5.37 C ATOM 0 H PHE A 0 -8.869 10.006 -16.600 1.00 4.52 H new ATOM 0 HA PHE A 0 -7.593 10.539 -14.111 1.00 3.81 H new ATOM 0 HB2 PHE A 0 -9.939 9.901 -14.254 1.00 4.15 H new ATOM 0 HB3 PHE A 0 -9.525 8.388 -15.035 1.00 4.15 H new ATOM 0 HD1 PHE A 0 -8.629 10.265 -11.912 1.00 4.83 H new ATOM 0 HD2 PHE A 0 -9.487 6.492 -13.701 1.00 4.43 H new ATOM 0 HE1 PHE A 0 -8.473 9.186 -9.711 1.00 5.34 H new ATOM 0 HE2 PHE A 0 -9.331 5.414 -11.501 1.00 4.95 H new ATOM 0 HZ PHE A 0 -8.765 6.741 -9.515 1.00 5.37 H new ATOM 69 N HIS A 1 -5.620 9.050 -14.235 1.00 2.77 N ATOM 70 CA HIS A 1 -4.499 8.135 -14.125 1.00 2.43 C ATOM 71 C HIS A 1 -4.760 7.145 -13.007 1.00 2.13 C ATOM 72 O HIS A 1 -5.271 7.510 -11.950 1.00 2.87 O ATOM 73 CB HIS A 1 -3.199 8.904 -13.878 1.00 3.10 C ATOM 74 CG HIS A 1 -2.809 9.782 -15.024 1.00 3.96 C ATOM 75 ND1 HIS A 1 -3.093 11.130 -15.076 1.00 4.72 N ATOM 76 CD2 HIS A 1 -2.161 9.496 -16.177 1.00 4.59 C ATOM 77 CE1 HIS A 1 -2.640 11.631 -16.208 1.00 5.61 C ATOM 78 NE2 HIS A 1 -2.071 10.660 -16.895 1.00 5.54 N ATOM 0 H HIS A 1 -5.444 9.981 -13.857 1.00 2.77 H new ATOM 0 HA HIS A 1 -4.391 7.589 -15.062 1.00 2.43 H new ATOM 0 HB2 HIS A 1 -3.310 9.515 -12.982 1.00 3.10 H new ATOM 0 HB3 HIS A 1 -2.396 8.194 -13.682 1.00 3.10 H new ATOM 0 HD2 HIS A 1 -1.784 8.529 -16.476 1.00 4.59 H new ATOM 0 HE1 HIS A 1 -2.721 12.662 -16.520 1.00 5.61 H new ATOM 0 HE2 HIS A 1 -1.635 10.759 -17.812 1.00 5.54 H new ATOM 87 N HIS A 2 -4.427 5.891 -13.249 1.00 1.52 N ATOM 88 CA HIS A 2 -4.718 4.838 -12.291 1.00 1.53 C ATOM 89 C HIS A 2 -3.587 4.695 -11.286 1.00 1.34 C ATOM 90 O HIS A 2 -2.444 5.062 -11.575 1.00 2.13 O ATOM 91 CB HIS A 2 -4.951 3.505 -13.005 1.00 1.86 C ATOM 92 CG HIS A 2 -6.106 3.523 -13.961 1.00 2.38 C ATOM 93 ND1 HIS A 2 -6.104 2.845 -15.160 1.00 2.75 N ATOM 94 CD2 HIS A 2 -7.306 4.147 -13.887 1.00 3.17 C ATOM 95 CE1 HIS A 2 -7.250 3.052 -15.781 1.00 3.57 C ATOM 96 NE2 HIS A 2 -7.998 3.837 -15.031 1.00 3.83 N ATOM 0 H HIS A 2 -3.956 5.576 -14.097 1.00 1.52 H new ATOM 0 HA HIS A 2 -5.627 5.114 -11.758 1.00 1.53 H new ATOM 0 HB2 HIS A 2 -4.046 3.232 -13.548 1.00 1.86 H new ATOM 0 HB3 HIS A 2 -5.121 2.729 -12.259 1.00 1.86 H new ATOM 0 HD2 HIS A 2 -7.654 4.772 -13.078 1.00 3.17 H new ATOM 0 HE1 HIS A 2 -7.528 2.646 -16.742 1.00 3.57 H new ATOM 0 HE2 HIS A 2 -8.937 4.161 -15.263 1.00 3.83 H new ATOM 105 N PHE A 3 -3.924 4.164 -10.112 1.00 1.08 N ATOM 106 CA PHE A 3 -2.950 3.889 -9.057 1.00 0.89 C ATOM 107 C PHE A 3 -2.220 5.165 -8.657 1.00 0.90 C ATOM 108 O PHE A 3 -1.003 5.274 -8.818 1.00 1.22 O ATOM 109 CB PHE A 3 -1.945 2.822 -9.514 1.00 0.94 C ATOM 110 CG PHE A 3 -2.568 1.691 -10.285 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.718 1.062 -9.830 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.003 1.260 -11.474 1.00 0.97 C ATOM 113 CE1 PHE A 3 -4.289 0.030 -10.547 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.569 0.228 -12.193 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.714 -0.388 -11.730 1.00 0.96 C ATOM 0 H PHE A 3 -4.881 3.912 -9.865 1.00 1.08 H new ATOM 0 HA PHE A 3 -3.487 3.509 -8.188 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -1.183 3.295 -10.134 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.437 2.416 -8.639 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -4.172 1.384 -8.904 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.108 1.738 -11.843 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -5.185 -0.450 -10.183 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -2.116 -0.098 -13.118 1.00 0.99 H new ATOM 0 HZ PHE A 3 -4.159 -1.196 -12.292 1.00 0.96 H new ATOM 125 N THR A 4 -2.963 6.129 -8.139 1.00 0.74 N ATOM 126 CA THR A 4 -2.380 7.407 -7.770 1.00 0.76 C ATOM 127 C THR A 4 -2.496 7.630 -6.263 1.00 0.71 C ATOM 128 O THR A 4 -2.509 6.671 -5.488 1.00 0.76 O ATOM 129 CB THR A 4 -3.024 8.579 -8.545 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.429 8.650 -8.286 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.794 8.430 -10.040 1.00 0.96 C ATOM 0 H THR A 4 -3.965 6.052 -7.965 1.00 0.74 H new ATOM 0 HA THR A 4 -1.325 7.378 -8.042 1.00 0.76 H new ATOM 0 HB THR A 4 -2.551 9.499 -8.201 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.816 9.399 -8.785 1.00 0.68 H new ATOM 0 HG21 THR A 4 -3.256 9.266 -10.564 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.723 8.421 -10.244 1.00 0.96 H new ATOM 0 HG23 THR A 4 -3.237 7.496 -10.385 1.00 0.96 H new ATOM 139 N LEU A 5 -2.601 8.883 -5.847 1.00 0.74 N ATOM 140 CA LEU A 5 -2.527 9.184 -4.430 1.00 0.77 C ATOM 141 C LEU A 5 -3.908 9.420 -3.844 1.00 0.67 C ATOM 142 O LEU A 5 -4.430 8.622 -3.061 1.00 0.73 O ATOM 143 CB LEU A 5 -1.615 10.375 -4.142 1.00 0.91 C ATOM 144 CG LEU A 5 -0.119 10.110 -4.328 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.684 11.273 -3.777 1.00 1.67 C ATOM 146 CD2 LEU A 5 0.298 8.811 -3.651 1.00 1.67 C ATOM 0 H LEU A 5 -2.735 9.690 -6.456 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.091 8.310 -3.947 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -1.905 11.200 -4.792 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.785 10.703 -3.116 1.00 0.91 H new ATOM 0 HG LEU A 5 0.081 10.010 -5.395 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.748 11.077 -3.913 1.00 1.67 H new ATOM 0 HD12 LEU A 5 0.412 12.186 -4.307 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.470 11.392 -2.715 1.00 1.67 H new ATOM 0 HD21 LEU A 5 1.366 8.649 -3.800 1.00 1.67 H new ATOM 0 HD22 LEU A 5 0.086 8.873 -2.584 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.259 7.980 -4.084 1.00 1.67 H new ATOM 158 N GLU A 6 -4.493 10.538 -4.280 1.00 0.60 N ATOM 159 CA GLU A 6 -5.883 10.883 -3.992 1.00 0.58 C ATOM 160 C GLU A 6 -6.802 9.720 -4.338 1.00 0.59 C ATOM 161 O GLU A 6 -7.775 9.492 -3.621 1.00 0.61 O ATOM 162 CB GLU A 6 -6.280 12.126 -4.787 1.00 0.62 C ATOM 163 CG GLU A 6 -5.413 13.335 -4.481 1.00 0.87 C ATOM 164 CD GLU A 6 -5.667 14.491 -5.419 1.00 1.35 C ATOM 165 OE1 GLU A 6 -6.597 15.282 -5.158 1.00 1.68 O ATOM 166 OE2 GLU A 6 -4.945 14.615 -6.428 1.00 1.80 O ATOM 0 H GLU A 6 -4.009 11.234 -4.848 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.982 11.093 -2.927 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -6.218 11.903 -5.852 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -7.320 12.370 -4.572 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.597 13.658 -3.456 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -4.363 13.048 -4.542 1.00 0.87 H new ATOM 173 N SER A 7 -6.528 8.987 -5.413 1.00 0.59 N ATOM 174 CA SER A 7 -7.402 7.897 -5.838 1.00 0.63 C ATOM 175 C SER A 7 -7.619 6.864 -4.728 1.00 0.62 C ATOM 176 O SER A 7 -8.562 6.076 -4.788 1.00 0.78 O ATOM 177 CB SER A 7 -6.835 7.208 -7.079 1.00 0.67 C ATOM 178 OG SER A 7 -5.522 6.728 -6.843 1.00 1.14 O ATOM 0 H SER A 7 -5.709 9.127 -6.005 1.00 0.59 H new ATOM 0 HA SER A 7 -8.369 8.340 -6.076 1.00 0.63 H new ATOM 0 HB2 SER A 7 -7.482 6.379 -7.366 1.00 0.67 H new ATOM 0 HB3 SER A 7 -6.825 7.908 -7.914 1.00 0.67 H new ATOM 0 HG SER A 7 -4.871 7.406 -7.119 1.00 1.14 H new ATOM 184 N SER A 8 -6.763 6.865 -3.711 1.00 0.53 N ATOM 185 CA SER A 8 -6.885 5.911 -2.628 1.00 0.52 C ATOM 186 C SER A 8 -7.573 6.461 -1.380 1.00 0.48 C ATOM 187 O SER A 8 -8.019 5.687 -0.546 1.00 0.48 O ATOM 188 CB SER A 8 -5.527 5.337 -2.260 1.00 0.57 C ATOM 189 OG SER A 8 -4.828 4.891 -3.413 1.00 1.02 O ATOM 0 H SER A 8 -5.982 7.515 -3.619 1.00 0.53 H new ATOM 0 HA SER A 8 -7.534 5.123 -3.011 1.00 0.52 H new ATOM 0 HB2 SER A 8 -4.937 6.094 -1.744 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.656 4.506 -1.566 1.00 0.57 H new ATOM 0 HG SER A 8 -3.871 4.830 -3.212 1.00 1.02 H new ATOM 195 N LEU A 9 -7.598 7.785 -1.212 1.00 0.47 N ATOM 196 CA LEU A 9 -7.848 8.391 0.096 1.00 0.46 C ATOM 197 C LEU A 9 -9.175 8.031 0.760 1.00 0.46 C ATOM 198 O LEU A 9 -9.301 8.030 1.980 1.00 0.42 O ATOM 199 CB LEU A 9 -7.710 9.890 -0.018 1.00 0.49 C ATOM 200 CG LEU A 9 -6.345 10.343 -0.506 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.393 11.809 -0.852 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.271 10.055 0.535 1.00 0.78 C ATOM 0 H LEU A 9 -7.448 8.457 -1.965 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.095 7.965 0.759 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.473 10.265 -0.700 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.905 10.339 0.956 1.00 0.49 H new ATOM 0 HG LEU A 9 -6.084 9.781 -1.403 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.413 12.133 -1.202 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -7.131 11.974 -1.637 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.670 12.383 0.032 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.303 10.389 0.161 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.507 10.586 1.457 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.234 8.984 0.733 1.00 0.78 H new ATOM 214 N ASP A 10 -10.157 7.751 -0.079 1.00 0.51 N ATOM 215 CA ASP A 10 -11.463 7.305 0.398 1.00 0.53 C ATOM 216 C ASP A 10 -11.578 5.805 0.258 1.00 0.54 C ATOM 217 O ASP A 10 -12.562 5.200 0.681 1.00 0.57 O ATOM 218 CB ASP A 10 -12.575 7.964 -0.417 1.00 0.57 C ATOM 219 CG ASP A 10 -13.902 7.980 0.313 1.00 0.78 C ATOM 220 OD1 ASP A 10 -14.089 8.828 1.212 1.00 0.77 O ATOM 221 OD2 ASP A 10 -14.770 7.139 -0.008 1.00 1.32 O ATOM 0 H ASP A 10 -10.079 7.823 -1.093 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.563 7.587 1.446 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.286 8.987 -0.659 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -12.691 7.433 -1.362 1.00 0.57 H new ATOM 226 N THR A 11 -10.562 5.197 -0.311 1.00 0.54 N ATOM 227 CA THR A 11 -10.630 3.801 -0.646 1.00 0.56 C ATOM 228 C THR A 11 -9.486 2.991 -0.021 1.00 0.53 C ATOM 229 O THR A 11 -9.549 2.613 1.149 1.00 0.53 O ATOM 230 CB THR A 11 -10.666 3.618 -2.179 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.531 4.256 -2.783 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.941 4.217 -2.751 1.00 0.69 C ATOM 0 H THR A 11 -9.680 5.651 -0.550 1.00 0.54 H new ATOM 0 HA THR A 11 -11.555 3.410 -0.222 1.00 0.56 H new ATOM 0 HB THR A 11 -10.639 2.550 -2.397 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.831 4.830 -3.518 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.954 4.081 -3.832 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.806 3.719 -2.313 1.00 0.69 H new ATOM 0 HG23 THR A 11 -11.979 5.281 -2.519 1.00 0.69 H new ATOM 240 N HIS A 12 -8.438 2.740 -0.805 1.00 0.51 N ATOM 241 CA HIS A 12 -7.298 1.956 -0.325 1.00 0.49 C ATOM 242 C HIS A 12 -6.621 2.631 0.876 1.00 0.43 C ATOM 243 O HIS A 12 -6.264 1.963 1.844 1.00 0.43 O ATOM 244 CB HIS A 12 -6.286 1.689 -1.449 1.00 0.49 C ATOM 245 CG HIS A 12 -6.889 1.064 -2.671 1.00 0.57 C ATOM 246 ND1 HIS A 12 -6.288 1.084 -3.911 1.00 1.50 N ATOM 247 CD2 HIS A 12 -8.041 0.386 -2.827 1.00 0.90 C ATOM 248 CE1 HIS A 12 -7.050 0.437 -4.776 1.00 1.34 C ATOM 249 NE2 HIS A 12 -8.121 0.000 -4.141 1.00 0.66 N ATOM 0 H HIS A 12 -8.354 3.065 -1.768 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.684 0.993 0.008 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.812 2.630 -1.730 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.499 1.037 -1.069 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -8.771 0.183 -2.057 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -6.833 0.291 -5.824 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -8.882 -0.536 -4.558 1.00 0.66 H new ATOM 258 N LEU A 13 -6.444 3.943 0.823 1.00 0.40 N ATOM 259 CA LEU A 13 -5.647 4.632 1.836 1.00 0.36 C ATOM 260 C LEU A 13 -6.503 5.447 2.801 1.00 0.34 C ATOM 261 O LEU A 13 -6.040 6.392 3.436 1.00 0.32 O ATOM 262 CB LEU A 13 -4.597 5.539 1.184 1.00 0.34 C ATOM 263 CG LEU A 13 -3.237 4.879 0.898 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.662 4.257 2.163 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.348 3.828 -0.196 1.00 0.84 C ATOM 0 H LEU A 13 -6.834 4.548 0.101 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.146 3.855 2.413 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.002 5.918 0.246 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.434 6.401 1.832 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.562 5.661 0.551 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.700 3.796 1.937 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.525 5.030 2.919 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.348 3.499 2.540 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.369 3.382 -0.373 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -4.049 3.053 0.114 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.705 4.295 -1.114 1.00 0.84 H new ATOM 277 N LYS A 14 -7.763 5.041 2.899 1.00 0.38 N ATOM 278 CA LYS A 14 -8.764 5.756 3.686 1.00 0.38 C ATOM 279 C LYS A 14 -8.441 5.739 5.178 1.00 0.35 C ATOM 280 O LYS A 14 -8.873 6.616 5.929 1.00 0.36 O ATOM 281 CB LYS A 14 -10.148 5.153 3.436 1.00 0.45 C ATOM 282 CG LYS A 14 -10.326 3.753 4.007 1.00 0.64 C ATOM 283 CD LYS A 14 -11.619 3.105 3.526 1.00 0.67 C ATOM 284 CE LYS A 14 -12.845 3.936 3.876 1.00 1.26 C ATOM 285 NZ LYS A 14 -13.014 4.098 5.345 1.00 1.69 N ATOM 0 H LYS A 14 -8.121 4.206 2.435 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.755 6.798 3.366 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.903 5.810 3.869 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.331 5.122 2.362 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.479 3.132 3.717 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.327 3.802 5.096 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -11.573 2.966 2.446 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -11.714 2.115 3.971 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -12.761 4.918 3.411 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -13.734 3.462 3.460 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -13.905 4.597 5.539 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -13.036 3.162 5.797 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -12.219 4.648 5.727 1.00 1.69 H new ATOM 299 N TRP A 15 -7.672 4.743 5.599 1.00 0.34 N ATOM 300 CA TRP A 15 -7.330 4.583 7.008 1.00 0.33 C ATOM 301 C TRP A 15 -6.301 5.627 7.444 1.00 0.29 C ATOM 302 O TRP A 15 -5.948 5.706 8.624 1.00 0.29 O ATOM 303 CB TRP A 15 -6.774 3.179 7.260 1.00 0.35 C ATOM 304 CG TRP A 15 -5.585 2.863 6.411 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.603 2.362 5.146 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.203 3.029 6.760 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.322 2.208 4.680 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.443 2.608 5.655 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.536 3.491 7.899 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.051 2.637 5.655 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.154 3.520 7.897 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.424 3.094 6.781 1.00 0.30 C ATOM 0 H TRP A 15 -7.273 4.033 4.985 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.239 4.724 7.593 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.499 3.086 8.311 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.556 2.444 7.069 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.496 2.121 4.589 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.065 1.854 3.759 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -4.091 3.819 8.765 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.486 2.310 4.795 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.629 3.877 8.771 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.345 3.127 6.810 1.00 0.30 H new ATOM 323 N LEU A 16 -5.821 6.427 6.498 1.00 0.28 N ATOM 324 CA LEU A 16 -4.954 7.544 6.823 1.00 0.26 C ATOM 325 C LEU A 16 -5.793 8.678 7.413 1.00 0.27 C ATOM 326 O LEU A 16 -6.925 8.929 6.999 1.00 0.31 O ATOM 327 CB LEU A 16 -4.206 8.049 5.576 1.00 0.25 C ATOM 328 CG LEU A 16 -3.191 7.082 4.945 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.694 7.636 3.622 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.003 6.838 5.868 1.00 0.30 C ATOM 0 H LEU A 16 -6.019 6.320 5.503 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.214 7.208 7.549 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.944 8.310 4.818 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.682 8.968 5.841 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.700 6.132 4.780 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -1.976 6.943 3.184 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.536 7.764 2.942 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.213 8.600 3.789 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.306 6.150 5.390 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.499 7.783 6.070 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.353 6.406 6.806 1.00 0.30 H new ATOM 342 N SER A 17 -5.200 9.351 8.377 1.00 0.27 N ATOM 343 CA SER A 17 -5.868 10.481 9.010 1.00 0.30 C ATOM 344 C SER A 17 -5.881 11.670 8.053 1.00 0.33 C ATOM 345 O SER A 17 -5.128 11.667 7.083 1.00 0.34 O ATOM 346 CB SER A 17 -5.166 10.840 10.315 1.00 0.31 C ATOM 347 OG SER A 17 -4.992 9.686 11.121 1.00 1.24 O ATOM 0 H SER A 17 -4.269 9.143 8.739 1.00 0.27 H new ATOM 0 HA SER A 17 -6.898 10.211 9.242 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.197 11.291 10.101 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.751 11.584 10.856 1.00 0.31 H new ATOM 0 HG SER A 17 -4.539 9.934 11.954 1.00 1.24 H new ATOM 353 N GLN A 18 -6.731 12.669 8.286 1.00 0.36 N ATOM 354 CA GLN A 18 -6.753 13.840 7.405 1.00 0.41 C ATOM 355 C GLN A 18 -5.373 14.478 7.381 1.00 0.41 C ATOM 356 O GLN A 18 -4.840 14.785 6.314 1.00 0.42 O ATOM 357 CB GLN A 18 -7.819 14.850 7.829 1.00 0.47 C ATOM 358 CG GLN A 18 -9.239 14.367 7.581 1.00 1.19 C ATOM 359 CD GLN A 18 -9.484 14.008 6.127 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.284 12.865 5.720 1.00 1.90 O ATOM 361 NE2 GLN A 18 -9.906 14.982 5.338 1.00 1.91 N ATOM 0 H GLN A 18 -7.399 12.695 9.057 1.00 0.36 H new ATOM 0 HA GLN A 18 -7.015 13.512 6.399 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -7.698 15.071 8.889 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.661 15.783 7.288 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -9.438 13.496 8.206 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -9.942 15.143 7.884 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -10.059 15.916 5.718 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -10.079 14.799 4.349 1.00 1.91 H new ATOM 370 N GLU A 19 -4.802 14.660 8.563 1.00 0.41 N ATOM 371 CA GLU A 19 -3.479 15.212 8.689 1.00 0.42 C ATOM 372 C GLU A 19 -2.472 14.359 7.920 1.00 0.40 C ATOM 373 O GLU A 19 -1.498 14.886 7.383 1.00 0.42 O ATOM 374 CB GLU A 19 -3.119 15.310 10.158 1.00 0.41 C ATOM 375 CG GLU A 19 -3.831 16.440 10.877 1.00 1.18 C ATOM 376 CD GLU A 19 -3.586 17.784 10.223 1.00 1.79 C ATOM 377 OE1 GLU A 19 -2.523 18.386 10.479 1.00 2.01 O ATOM 378 OE2 GLU A 19 -4.448 18.240 9.442 1.00 2.49 O ATOM 0 H GLU A 19 -5.247 14.428 9.451 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.453 16.213 8.258 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -3.362 14.367 10.648 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -2.042 15.450 10.252 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -4.902 16.238 10.896 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -3.495 16.476 11.913 1.00 1.18 H new ATOM 385 N GLN A 20 -2.711 13.054 7.856 1.00 0.37 N ATOM 386 CA GLN A 20 -1.852 12.161 7.091 1.00 0.36 C ATOM 387 C GLN A 20 -2.106 12.342 5.600 1.00 0.38 C ATOM 388 O GLN A 20 -1.167 12.428 4.825 1.00 0.41 O ATOM 389 CB GLN A 20 -2.060 10.704 7.502 1.00 0.33 C ATOM 390 CG GLN A 20 -1.582 10.395 8.909 1.00 0.37 C ATOM 391 CD GLN A 20 -1.770 8.938 9.285 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.693 8.280 8.816 1.00 1.57 O ATOM 393 NE2 GLN A 20 -0.899 8.428 10.139 1.00 1.04 N ATOM 0 H GLN A 20 -3.491 12.593 8.324 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.815 12.418 7.305 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -3.120 10.462 7.426 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.534 10.058 6.799 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.527 10.655 8.995 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.123 11.022 9.618 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -0.145 9.009 10.506 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -0.981 7.454 10.430 1.00 1.04 H new ATOM 402 N LYS A 21 -3.366 12.407 5.193 1.00 0.38 N ATOM 403 CA LYS A 21 -3.694 12.647 3.789 1.00 0.42 C ATOM 404 C LYS A 21 -3.034 13.941 3.318 1.00 0.42 C ATOM 405 O LYS A 21 -2.368 13.975 2.288 1.00 0.43 O ATOM 406 CB LYS A 21 -5.212 12.736 3.584 1.00 0.47 C ATOM 407 CG LYS A 21 -5.979 11.482 3.983 1.00 0.56 C ATOM 408 CD LYS A 21 -7.424 11.555 3.508 1.00 0.54 C ATOM 409 CE LYS A 21 -8.222 10.311 3.878 1.00 0.57 C ATOM 410 NZ LYS A 21 -8.559 10.261 5.325 1.00 0.95 N ATOM 0 H LYS A 21 -4.174 12.298 5.806 1.00 0.38 H new ATOM 0 HA LYS A 21 -3.318 11.809 3.203 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.595 13.579 4.160 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.412 12.950 2.534 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.495 10.604 3.556 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.954 11.364 5.066 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.902 12.433 3.943 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.441 11.686 2.426 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -9.141 10.286 3.293 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.649 9.423 3.611 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.391 9.653 5.467 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -7.753 9.874 5.856 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -8.770 11.221 5.666 1.00 0.95 H new ATOM 424 N ASP A 22 -3.203 14.988 4.111 1.00 0.44 N ATOM 425 CA ASP A 22 -2.590 16.286 3.841 1.00 0.46 C ATOM 426 C ASP A 22 -1.068 16.214 3.942 1.00 0.46 C ATOM 427 O ASP A 22 -0.373 16.969 3.267 1.00 0.48 O ATOM 428 CB ASP A 22 -3.101 17.311 4.859 1.00 0.49 C ATOM 429 CG ASP A 22 -2.478 18.682 4.682 1.00 0.58 C ATOM 430 OD1 ASP A 22 -2.962 19.457 3.828 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.501 18.994 5.393 1.00 0.64 O ATOM 0 H ASP A 22 -3.768 14.965 4.960 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.860 16.582 2.827 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.184 17.396 4.769 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.892 16.950 5.866 1.00 0.49 H new ATOM 436 N GLU A 23 -0.541 15.315 4.757 1.00 0.44 N ATOM 437 CA GLU A 23 0.876 15.038 4.785 1.00 0.45 C ATOM 438 C GLU A 23 1.331 14.411 3.465 1.00 0.42 C ATOM 439 O GLU A 23 2.255 14.908 2.820 1.00 0.44 O ATOM 440 CB GLU A 23 1.155 14.090 5.944 1.00 0.47 C ATOM 441 CG GLU A 23 2.616 13.863 6.211 1.00 0.71 C ATOM 442 CD GLU A 23 3.319 15.105 6.718 1.00 0.97 C ATOM 443 OE1 GLU A 23 3.083 15.495 7.883 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.122 15.688 5.963 1.00 1.40 O ATOM 0 H GLU A 23 -1.088 14.760 5.415 1.00 0.44 H new ATOM 0 HA GLU A 23 1.430 15.967 4.919 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.689 14.488 6.845 1.00 0.47 H new ATOM 0 HB3 GLU A 23 0.681 13.131 5.737 1.00 0.47 H new ATOM 0 HG2 GLU A 23 2.727 13.063 6.943 1.00 0.71 H new ATOM 0 HG3 GLU A 23 3.100 13.525 5.295 1.00 0.71 H new ATOM 451 N LEU A 24 0.678 13.327 3.059 1.00 0.40 N ATOM 452 CA LEU A 24 1.041 12.578 1.861 1.00 0.39 C ATOM 453 C LEU A 24 0.861 13.424 0.596 1.00 0.39 C ATOM 454 O LEU A 24 1.708 13.403 -0.298 1.00 0.41 O ATOM 455 CB LEU A 24 0.187 11.307 1.768 1.00 0.38 C ATOM 456 CG LEU A 24 0.588 10.136 2.685 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.737 9.340 2.105 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.968 10.597 4.074 1.00 1.33 C ATOM 0 H LEU A 24 -0.124 12.940 3.556 1.00 0.40 H new ATOM 0 HA LEU A 24 2.094 12.308 1.935 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.846 11.574 1.989 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.211 10.955 0.737 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.295 9.501 2.756 1.00 0.50 H new ATOM 0 HD11 LEU A 24 1.991 8.523 2.780 1.00 1.16 H new ATOM 0 HD12 LEU A 24 1.446 8.933 1.137 1.00 1.16 H new ATOM 0 HD13 LEU A 24 2.603 9.990 1.980 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.242 9.734 4.681 1.00 1.33 H new ATOM 0 HD22 LEU A 24 1.814 11.281 4.012 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.121 11.109 4.532 1.00 1.33 H new ATOM 470 N LEU A 25 -0.242 14.163 0.525 1.00 0.40 N ATOM 471 CA LEU A 25 -0.505 15.043 -0.609 1.00 0.43 C ATOM 472 C LEU A 25 0.552 16.138 -0.688 1.00 0.46 C ATOM 473 O LEU A 25 0.974 16.538 -1.775 1.00 0.48 O ATOM 474 CB LEU A 25 -1.905 15.646 -0.497 1.00 0.45 C ATOM 475 CG LEU A 25 -3.050 14.632 -0.584 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.392 15.320 -0.397 1.00 1.02 C ATOM 477 CD2 LEU A 25 -3.008 13.892 -1.913 1.00 1.06 C ATOM 0 H LEU A 25 -0.969 14.170 1.240 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.457 14.457 -1.527 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.981 16.178 0.451 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.032 16.385 -1.289 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.925 13.905 0.218 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.191 14.582 -0.462 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.421 15.801 0.581 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.527 16.071 -1.175 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.829 13.176 -1.957 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.106 14.606 -2.730 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -2.060 13.363 -2.005 1.00 1.06 H new ATOM 489 N LYS A 26 0.991 16.592 0.479 1.00 0.47 N ATOM 490 CA LYS A 26 2.009 17.624 0.589 1.00 0.51 C ATOM 491 C LYS A 26 3.308 17.131 -0.018 1.00 0.49 C ATOM 492 O LYS A 26 3.990 17.853 -0.744 1.00 0.51 O ATOM 493 CB LYS A 26 2.222 17.957 2.061 1.00 0.56 C ATOM 494 CG LYS A 26 2.866 19.307 2.315 1.00 0.93 C ATOM 495 CD LYS A 26 3.145 19.508 3.796 1.00 1.62 C ATOM 496 CE LYS A 26 1.919 19.214 4.654 1.00 2.50 C ATOM 497 NZ LYS A 26 0.750 20.055 4.287 1.00 3.24 N ATOM 0 H LYS A 26 0.649 16.252 1.378 1.00 0.47 H new ATOM 0 HA LYS A 26 1.685 18.517 0.054 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.259 17.927 2.570 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.844 17.182 2.509 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.797 19.381 1.753 1.00 0.93 H new ATOM 0 HG3 LYS A 26 2.211 20.100 1.954 1.00 0.93 H new ATOM 0 HD2 LYS A 26 3.965 18.859 4.102 1.00 1.62 H new ATOM 0 HD3 LYS A 26 3.470 20.534 3.968 1.00 1.62 H new ATOM 0 HE2 LYS A 26 1.652 18.162 4.551 1.00 2.50 H new ATOM 0 HE3 LYS A 26 2.166 19.379 5.703 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 -0.045 19.840 4.922 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 1.003 21.060 4.377 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 0.473 19.855 3.305 1.00 3.24 H new ATOM 511 N MET A 27 3.629 15.884 0.294 1.00 0.47 N ATOM 512 CA MET A 27 4.797 15.210 -0.253 1.00 0.47 C ATOM 513 C MET A 27 4.838 15.275 -1.781 1.00 0.47 C ATOM 514 O MET A 27 5.810 15.747 -2.368 1.00 0.49 O ATOM 515 CB MET A 27 4.794 13.752 0.191 1.00 0.49 C ATOM 516 CG MET A 27 4.866 13.573 1.695 1.00 0.50 C ATOM 517 SD MET A 27 6.551 13.622 2.330 1.00 0.92 S ATOM 518 CE MET A 27 7.193 12.091 1.652 1.00 0.79 C ATOM 0 H MET A 27 3.084 15.309 0.936 1.00 0.47 H new ATOM 0 HA MET A 27 5.682 15.723 0.124 1.00 0.47 H new ATOM 0 HB2 MET A 27 3.890 13.270 -0.181 1.00 0.49 H new ATOM 0 HB3 MET A 27 5.640 13.240 -0.268 1.00 0.49 H new ATOM 0 HG2 MET A 27 4.279 14.355 2.177 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.410 12.620 1.964 1.00 0.50 H new ATOM 0 HE1 MET A 27 7.628 11.493 2.452 1.00 0.79 H new ATOM 0 HE2 MET A 27 6.383 11.533 1.182 1.00 0.79 H new ATOM 0 HE3 MET A 27 7.958 12.315 0.909 1.00 0.79 H new ATOM 528 N LYS A 28 3.761 14.819 -2.412 1.00 0.45 N ATOM 529 CA LYS A 28 3.666 14.797 -3.870 1.00 0.49 C ATOM 530 C LYS A 28 3.767 16.205 -4.458 1.00 0.54 C ATOM 531 O LYS A 28 4.442 16.422 -5.463 1.00 0.58 O ATOM 532 CB LYS A 28 2.343 14.150 -4.296 1.00 0.50 C ATOM 533 CG LYS A 28 2.325 13.657 -5.742 1.00 0.79 C ATOM 534 CD LYS A 28 2.090 14.781 -6.738 1.00 1.41 C ATOM 535 CE LYS A 28 2.282 14.308 -8.171 1.00 1.82 C ATOM 536 NZ LYS A 28 3.687 13.901 -8.436 1.00 2.44 N ATOM 0 H LYS A 28 2.936 14.457 -1.934 1.00 0.45 H new ATOM 0 HA LYS A 28 4.501 14.211 -4.253 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.133 13.310 -3.635 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.538 14.872 -4.160 1.00 0.50 H new ATOM 0 HG2 LYS A 28 3.273 13.168 -5.968 1.00 0.79 H new ATOM 0 HG3 LYS A 28 1.544 12.905 -5.856 1.00 0.79 H new ATOM 0 HD2 LYS A 28 1.080 15.171 -6.615 1.00 1.41 H new ATOM 0 HD3 LYS A 28 2.776 15.602 -6.530 1.00 1.41 H new ATOM 0 HE2 LYS A 28 1.617 13.467 -8.368 1.00 1.82 H new ATOM 0 HE3 LYS A 28 1.999 15.106 -8.858 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 3.854 13.879 -9.462 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 4.335 14.583 -7.994 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 3.855 12.955 -8.038 1.00 2.44 H new ATOM 550 N LYS A 29 3.118 17.161 -3.805 1.00 0.55 N ATOM 551 CA LYS A 29 3.071 18.530 -4.310 1.00 0.62 C ATOM 552 C LYS A 29 4.393 19.262 -4.101 1.00 0.64 C ATOM 553 O LYS A 29 4.670 20.255 -4.772 1.00 0.72 O ATOM 554 CB LYS A 29 1.926 19.308 -3.654 1.00 0.62 C ATOM 555 CG LYS A 29 0.544 18.751 -3.970 1.00 1.13 C ATOM 556 CD LYS A 29 0.253 18.765 -5.465 1.00 1.57 C ATOM 557 CE LYS A 29 -1.131 18.212 -5.770 1.00 2.08 C ATOM 558 NZ LYS A 29 -1.423 18.217 -7.229 1.00 2.69 N ATOM 0 H LYS A 29 2.618 17.016 -2.928 1.00 0.55 H new ATOM 0 HA LYS A 29 2.893 18.471 -5.384 1.00 0.62 H new ATOM 0 HB2 LYS A 29 2.070 19.306 -2.574 1.00 0.62 H new ATOM 0 HB3 LYS A 29 1.972 20.347 -3.980 1.00 0.62 H new ATOM 0 HG2 LYS A 29 0.470 17.730 -3.596 1.00 1.13 H new ATOM 0 HG3 LYS A 29 -0.212 19.338 -3.448 1.00 1.13 H new ATOM 0 HD2 LYS A 29 0.329 19.785 -5.842 1.00 1.57 H new ATOM 0 HD3 LYS A 29 1.005 18.175 -5.988 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -1.207 17.194 -5.388 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -1.882 18.805 -5.248 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -2.375 17.833 -7.394 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -1.376 19.192 -7.589 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -0.722 17.630 -7.725 1.00 2.69 H new ATOM 572 N ASP A 30 5.212 18.770 -3.183 1.00 0.62 N ATOM 573 CA ASP A 30 6.509 19.389 -2.927 1.00 0.66 C ATOM 574 C ASP A 30 7.606 18.700 -3.736 1.00 0.65 C ATOM 575 O ASP A 30 8.745 19.163 -3.814 1.00 0.69 O ATOM 576 CB ASP A 30 6.828 19.358 -1.426 1.00 0.67 C ATOM 577 CG ASP A 30 8.236 19.819 -1.103 1.00 1.33 C ATOM 578 OD1 ASP A 30 8.481 21.043 -1.090 1.00 1.32 O ATOM 579 OD2 ASP A 30 9.107 18.953 -0.859 1.00 2.14 O ATOM 0 H ASP A 30 5.007 17.953 -2.607 1.00 0.62 H new ATOM 0 HA ASP A 30 6.465 20.431 -3.245 1.00 0.66 H new ATOM 0 HB2 ASP A 30 6.115 19.991 -0.897 1.00 0.67 H new ATOM 0 HB3 ASP A 30 6.691 18.343 -1.053 1.00 0.67 H new ATOM 584 N GLY A 31 7.219 17.612 -4.379 1.00 0.62 N ATOM 585 CA GLY A 31 8.119 16.939 -5.287 1.00 0.62 C ATOM 586 C GLY A 31 8.884 15.818 -4.631 1.00 0.61 C ATOM 587 O GLY A 31 9.965 15.450 -5.088 1.00 0.63 O ATOM 0 H GLY A 31 6.298 17.183 -4.288 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.549 16.541 -6.127 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.824 17.663 -5.695 1.00 0.62 H new ATOM 591 N LYS A 32 8.336 15.288 -3.550 1.00 0.59 N ATOM 592 CA LYS A 32 8.887 14.094 -2.950 1.00 0.58 C ATOM 593 C LYS A 32 8.690 12.939 -3.917 1.00 0.56 C ATOM 594 O LYS A 32 7.687 12.885 -4.637 1.00 0.55 O ATOM 595 CB LYS A 32 8.197 13.776 -1.619 1.00 0.57 C ATOM 596 CG LYS A 32 8.287 14.882 -0.573 1.00 0.63 C ATOM 597 CD LYS A 32 9.720 15.168 -0.157 1.00 0.76 C ATOM 598 CE LYS A 32 9.773 15.942 1.155 1.00 1.15 C ATOM 599 NZ LYS A 32 9.013 17.220 1.092 1.00 1.65 N ATOM 0 H LYS A 32 7.516 15.666 -3.076 1.00 0.59 H new ATOM 0 HA LYS A 32 9.947 14.250 -2.748 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.146 13.563 -1.812 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.636 12.868 -1.206 1.00 0.57 H new ATOM 0 HG2 LYS A 32 7.838 15.792 -0.971 1.00 0.63 H new ATOM 0 HG3 LYS A 32 7.706 14.597 0.304 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.264 14.229 -0.050 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.221 15.739 -0.939 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.370 15.322 1.956 1.00 1.15 H new ATOM 0 HE3 LYS A 32 10.812 16.153 1.407 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 9.267 17.816 1.906 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 9.247 17.720 0.210 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 7.993 17.019 1.116 1.00 1.65 H new ATOM 613 N ALA A 33 9.636 12.031 -3.938 1.00 0.56 N ATOM 614 CA ALA A 33 9.601 10.894 -4.847 1.00 0.55 C ATOM 615 C ALA A 33 8.578 9.875 -4.381 1.00 0.52 C ATOM 616 O ALA A 33 8.279 9.812 -3.192 1.00 0.50 O ATOM 617 CB ALA A 33 10.974 10.247 -4.945 1.00 0.59 C ATOM 0 H ALA A 33 10.454 12.053 -3.329 1.00 0.56 H new ATOM 0 HA ALA A 33 9.313 11.254 -5.835 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.929 9.399 -5.629 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.694 10.976 -5.318 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.285 9.902 -3.959 1.00 0.59 H new ATOM 623 N LYS A 34 8.046 9.072 -5.299 1.00 0.53 N ATOM 624 CA LYS A 34 7.074 8.042 -4.929 1.00 0.51 C ATOM 625 C LYS A 34 7.663 7.139 -3.854 1.00 0.51 C ATOM 626 O LYS A 34 6.964 6.707 -2.940 1.00 0.48 O ATOM 627 CB LYS A 34 6.673 7.203 -6.145 1.00 0.56 C ATOM 628 CG LYS A 34 6.188 8.024 -7.324 1.00 1.21 C ATOM 629 CD LYS A 34 5.862 7.144 -8.520 1.00 1.64 C ATOM 630 CE LYS A 34 5.606 7.975 -9.766 1.00 2.21 C ATOM 631 NZ LYS A 34 6.800 8.774 -10.156 1.00 2.97 N ATOM 0 H LYS A 34 8.267 9.112 -6.294 1.00 0.53 H new ATOM 0 HA LYS A 34 6.182 8.536 -4.544 1.00 0.51 H new ATOM 0 HB2 LYS A 34 7.528 6.604 -6.459 1.00 0.56 H new ATOM 0 HB3 LYS A 34 5.887 6.507 -5.851 1.00 0.56 H new ATOM 0 HG2 LYS A 34 5.302 8.589 -7.035 1.00 1.21 H new ATOM 0 HG3 LYS A 34 6.952 8.749 -7.602 1.00 1.21 H new ATOM 0 HD2 LYS A 34 6.687 6.456 -8.703 1.00 1.64 H new ATOM 0 HD3 LYS A 34 4.984 6.537 -8.299 1.00 1.64 H new ATOM 0 HE2 LYS A 34 5.324 7.318 -10.589 1.00 2.21 H new ATOM 0 HE3 LYS A 34 4.764 8.644 -9.589 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 6.705 9.079 -11.146 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 6.874 9.610 -9.541 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 7.656 8.192 -10.054 1.00 2.97 H new ATOM 645 N LYS A 35 8.965 6.891 -3.961 1.00 0.54 N ATOM 646 CA LYS A 35 9.691 6.094 -2.978 1.00 0.56 C ATOM 647 C LYS A 35 9.523 6.663 -1.563 1.00 0.53 C ATOM 648 O LYS A 35 9.634 5.934 -0.578 1.00 0.55 O ATOM 649 CB LYS A 35 11.185 6.048 -3.330 1.00 0.61 C ATOM 650 CG LYS A 35 11.565 5.041 -4.412 1.00 1.17 C ATOM 651 CD LYS A 35 10.882 5.321 -5.744 1.00 1.56 C ATOM 652 CE LYS A 35 11.423 4.417 -6.843 1.00 2.18 C ATOM 653 NZ LYS A 35 10.597 4.482 -8.078 1.00 2.82 N ATOM 0 H LYS A 35 9.544 7.235 -4.727 1.00 0.54 H new ATOM 0 HA LYS A 35 9.276 5.087 -3.000 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.497 7.041 -3.654 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.748 5.816 -2.426 1.00 0.61 H new ATOM 0 HG2 LYS A 35 12.646 5.056 -4.553 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.301 4.038 -4.077 1.00 1.17 H new ATOM 0 HD2 LYS A 35 9.807 5.171 -5.643 1.00 1.56 H new ATOM 0 HD3 LYS A 35 11.033 6.364 -6.021 1.00 1.56 H new ATOM 0 HE2 LYS A 35 12.448 4.705 -7.077 1.00 2.18 H new ATOM 0 HE3 LYS A 35 11.455 3.389 -6.483 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 10.907 3.744 -8.742 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 9.597 4.331 -7.835 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 10.709 5.416 -8.522 1.00 2.82 H new ATOM 667 N GLU A 36 9.245 7.962 -1.463 1.00 0.51 N ATOM 668 CA GLU A 36 9.134 8.635 -0.176 1.00 0.50 C ATOM 669 C GLU A 36 7.701 8.557 0.365 1.00 0.44 C ATOM 670 O GLU A 36 7.447 8.561 1.570 1.00 0.45 O ATOM 671 CB GLU A 36 9.575 10.090 -0.310 1.00 0.53 C ATOM 672 CG GLU A 36 10.938 10.228 -0.964 1.00 0.61 C ATOM 673 CD GLU A 36 11.471 11.644 -0.935 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.706 12.176 0.173 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.651 12.235 -2.020 1.00 0.66 O ATOM 0 H GLU A 36 9.092 8.571 -2.267 1.00 0.51 H new ATOM 0 HA GLU A 36 9.788 8.129 0.535 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.837 10.637 -0.897 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.601 10.550 0.678 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.645 9.570 -0.459 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.873 9.892 -1.999 1.00 0.61 H new ATOM 682 N LEU A 37 6.787 8.449 -0.596 1.00 0.39 N ATOM 683 CA LEU A 37 5.397 8.176 -0.308 1.00 0.36 C ATOM 684 C LEU A 37 5.236 6.732 0.139 1.00 0.36 C ATOM 685 O LEU A 37 4.564 6.434 1.130 1.00 0.35 O ATOM 686 CB LEU A 37 4.586 8.424 -1.572 1.00 0.37 C ATOM 687 CG LEU A 37 4.405 9.885 -1.996 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.383 10.558 -1.114 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.699 10.685 -1.967 1.00 1.01 C ATOM 0 H LEU A 37 6.996 8.549 -1.589 1.00 0.39 H new ATOM 0 HA LEU A 37 5.046 8.827 0.493 1.00 0.36 H new ATOM 0 HB2 LEU A 37 5.062 7.888 -2.393 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.598 7.984 -1.435 1.00 0.37 H new ATOM 0 HG LEU A 37 4.063 9.864 -3.031 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.262 11.596 -1.424 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.428 10.039 -1.202 1.00 1.22 H new ATOM 0 HD13 LEU A 37 3.719 10.526 -0.078 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.500 11.710 -2.278 1.00 1.01 H new ATOM 0 HD22 LEU A 37 6.104 10.685 -0.955 1.00 1.01 H new ATOM 0 HD23 LEU A 37 6.421 10.233 -2.647 1.00 1.01 H new ATOM 701 N GLU A 38 5.890 5.849 -0.607 1.00 0.39 N ATOM 702 CA GLU A 38 5.925 4.421 -0.316 1.00 0.43 C ATOM 703 C GLU A 38 6.497 4.174 1.078 1.00 0.43 C ATOM 704 O GLU A 38 6.186 3.184 1.728 1.00 0.45 O ATOM 705 CB GLU A 38 6.799 3.730 -1.362 1.00 0.57 C ATOM 706 CG GLU A 38 6.932 2.229 -1.183 1.00 1.35 C ATOM 707 CD GLU A 38 8.132 1.685 -1.924 1.00 2.06 C ATOM 708 OE1 GLU A 38 8.150 1.762 -3.174 1.00 2.49 O ATOM 709 OE2 GLU A 38 9.041 1.140 -1.274 1.00 2.72 O ATOM 0 H GLU A 38 6.417 6.108 -1.441 1.00 0.39 H new ATOM 0 HA GLU A 38 4.912 4.020 -0.348 1.00 0.43 H new ATOM 0 HB2 GLU A 38 6.386 3.929 -2.351 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.794 4.175 -1.337 1.00 0.57 H new ATOM 0 HG2 GLU A 38 7.022 1.995 -0.122 1.00 1.35 H new ATOM 0 HG3 GLU A 38 6.028 1.737 -1.543 1.00 1.35 H new ATOM 716 N ALA A 39 7.291 5.120 1.542 1.00 0.43 N ATOM 717 CA ALA A 39 7.960 5.008 2.824 1.00 0.45 C ATOM 718 C ALA A 39 7.148 5.583 3.967 1.00 0.42 C ATOM 719 O ALA A 39 7.079 5.005 5.050 1.00 0.44 O ATOM 720 CB ALA A 39 9.324 5.677 2.762 1.00 0.49 C ATOM 0 H ALA A 39 7.490 5.986 1.042 1.00 0.43 H new ATOM 0 HA ALA A 39 8.079 3.944 3.026 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.818 5.587 3.730 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.932 5.193 1.998 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.201 6.731 2.514 1.00 0.49 H new ATOM 726 N LYS A 40 6.528 6.727 3.699 1.00 0.39 N ATOM 727 CA LYS A 40 5.648 7.388 4.651 1.00 0.37 C ATOM 728 C LYS A 40 4.498 6.472 5.071 1.00 0.31 C ATOM 729 O LYS A 40 4.253 6.282 6.263 1.00 0.31 O ATOM 730 CB LYS A 40 5.095 8.672 4.025 1.00 0.41 C ATOM 731 CG LYS A 40 4.319 9.541 4.998 1.00 0.79 C ATOM 732 CD LYS A 40 5.215 10.106 6.086 1.00 0.64 C ATOM 733 CE LYS A 40 6.130 11.200 5.556 1.00 0.74 C ATOM 734 NZ LYS A 40 7.019 11.745 6.615 1.00 1.34 N ATOM 0 H LYS A 40 6.623 7.222 2.812 1.00 0.39 H new ATOM 0 HA LYS A 40 6.224 7.632 5.544 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.922 9.251 3.615 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.446 8.408 3.190 1.00 0.41 H new ATOM 0 HG2 LYS A 40 3.845 10.359 4.456 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.521 8.954 5.453 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.600 10.506 6.892 1.00 0.64 H new ATOM 0 HD3 LYS A 40 5.817 9.304 6.513 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.737 10.802 4.743 1.00 0.74 H new ATOM 0 HE3 LYS A 40 5.527 12.006 5.139 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 7.625 12.487 6.211 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 6.441 12.148 7.380 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.614 10.982 6.996 1.00 1.34 H new ATOM 748 N ILE A 41 3.804 5.895 4.091 1.00 0.29 N ATOM 749 CA ILE A 41 2.678 5.020 4.366 1.00 0.26 C ATOM 750 C ILE A 41 3.138 3.766 5.092 1.00 0.27 C ATOM 751 O ILE A 41 2.529 3.355 6.074 1.00 0.27 O ATOM 752 CB ILE A 41 1.965 4.624 3.061 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.440 5.873 2.358 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.834 3.651 3.345 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.899 5.607 0.976 1.00 0.39 C ATOM 0 H ILE A 41 4.007 6.022 3.099 1.00 0.29 H new ATOM 0 HA ILE A 41 1.980 5.565 5.002 1.00 0.26 H new ATOM 0 HB ILE A 41 2.679 4.127 2.405 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.654 6.319 2.967 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.244 6.606 2.289 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.342 3.383 2.410 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.236 2.753 3.814 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.112 4.118 4.014 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.544 6.540 0.538 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.688 5.190 0.350 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.073 4.898 1.039 1.00 0.39 H new ATOM 767 N LEU A 42 4.220 3.175 4.611 1.00 0.31 N ATOM 768 CA LEU A 42 4.785 1.986 5.232 1.00 0.35 C ATOM 769 C LEU A 42 5.210 2.253 6.676 1.00 0.35 C ATOM 770 O LEU A 42 5.111 1.378 7.538 1.00 0.38 O ATOM 771 CB LEU A 42 5.990 1.486 4.431 1.00 0.39 C ATOM 772 CG LEU A 42 5.667 0.680 3.170 1.00 0.40 C ATOM 773 CD1 LEU A 42 6.941 0.134 2.557 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.703 -0.456 3.474 1.00 0.40 C ATOM 0 H LEU A 42 4.727 3.501 3.788 1.00 0.31 H new ATOM 0 HA LEU A 42 4.007 1.222 5.238 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.593 2.347 4.144 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.606 0.869 5.085 1.00 0.39 H new ATOM 0 HG LEU A 42 5.186 1.349 2.457 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.698 -0.437 1.661 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.601 0.960 2.293 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.442 -0.514 3.276 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.493 -1.010 2.559 1.00 0.40 H new ATOM 0 HD22 LEU A 42 5.150 -1.126 4.209 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.774 -0.048 3.872 1.00 0.40 H new ATOM 786 N HIS A 43 5.668 3.472 6.930 1.00 0.35 N ATOM 787 CA HIS A 43 5.993 3.899 8.284 1.00 0.37 C ATOM 788 C HIS A 43 4.732 3.911 9.150 1.00 0.35 C ATOM 789 O HIS A 43 4.705 3.296 10.213 1.00 0.40 O ATOM 790 CB HIS A 43 6.634 5.292 8.260 1.00 0.40 C ATOM 791 CG HIS A 43 7.296 5.683 9.547 1.00 0.49 C ATOM 792 ND1 HIS A 43 6.826 6.676 10.376 1.00 1.17 N ATOM 793 CD2 HIS A 43 8.421 5.215 10.132 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.633 6.803 11.412 1.00 0.93 C ATOM 795 NE2 HIS A 43 8.607 5.926 11.287 1.00 0.92 N ATOM 0 H HIS A 43 5.823 4.183 6.215 1.00 0.35 H new ATOM 0 HA HIS A 43 6.705 3.194 8.713 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.372 5.327 7.459 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.868 6.029 8.019 1.00 0.40 H new ATOM 0 HD2 HIS A 43 9.056 4.426 9.757 1.00 1.23 H new ATOM 0 HE1 HIS A 43 7.515 7.506 12.223 1.00 0.93 H new ATOM 0 HE2 HIS A 43 9.376 5.797 11.945 1.00 0.92 H new ATOM 804 N TYR A 44 3.686 4.601 8.676 1.00 0.30 N ATOM 805 CA TYR A 44 2.401 4.644 9.377 1.00 0.30 C ATOM 806 C TYR A 44 1.860 3.238 9.597 1.00 0.32 C ATOM 807 O TYR A 44 1.381 2.896 10.677 1.00 0.40 O ATOM 808 CB TYR A 44 1.380 5.438 8.563 1.00 0.31 C ATOM 809 CG TYR A 44 1.704 6.901 8.440 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.288 7.588 9.489 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.423 7.594 7.273 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.584 8.927 9.384 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.717 8.936 7.157 1.00 0.50 C ATOM 814 CZ TYR A 44 2.299 9.599 8.217 1.00 0.58 C ATOM 815 OH TYR A 44 2.597 10.938 8.112 1.00 0.68 O ATOM 0 H TYR A 44 3.707 5.137 7.808 1.00 0.30 H new ATOM 0 HA TYR A 44 2.563 5.126 10.341 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.311 5.006 7.565 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.399 5.331 9.025 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.515 7.064 10.406 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.967 7.075 6.443 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.038 9.449 10.213 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.493 9.464 6.242 1.00 0.50 H new ATOM 0 HH TYR A 44 3.375 11.145 8.670 1.00 0.68 H new ATOM 825 N TYR A 45 1.944 2.449 8.538 1.00 0.30 N ATOM 826 CA TYR A 45 1.479 1.078 8.518 1.00 0.33 C ATOM 827 C TYR A 45 2.079 0.260 9.659 1.00 0.40 C ATOM 828 O TYR A 45 1.364 -0.443 10.381 1.00 0.42 O ATOM 829 CB TYR A 45 1.855 0.480 7.160 1.00 0.35 C ATOM 830 CG TYR A 45 1.547 -0.978 6.999 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.246 -1.433 6.907 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.579 -1.896 6.920 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.023 -2.773 6.743 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.324 -3.234 6.756 1.00 0.54 C ATOM 835 CZ TYR A 45 1.024 -3.672 6.666 1.00 0.53 C ATOM 836 OH TYR A 45 0.772 -5.013 6.500 1.00 0.58 O ATOM 0 H TYR A 45 2.346 2.753 7.652 1.00 0.30 H new ATOM 0 HA TYR A 45 0.399 1.055 8.660 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.333 1.034 6.380 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.922 0.630 6.998 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.571 -0.728 6.964 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.601 -1.554 6.988 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.044 -3.119 6.675 1.00 0.46 H new ATOM 0 HE2 TYR A 45 3.140 -3.939 6.698 1.00 0.54 H new ATOM 0 HH TYR A 45 -0.161 -5.202 6.734 1.00 0.58 H new ATOM 846 N ASP A 46 3.379 0.367 9.846 1.00 0.43 N ATOM 847 CA ASP A 46 4.051 -0.448 10.846 1.00 0.51 C ATOM 848 C ASP A 46 3.739 0.047 12.258 1.00 0.53 C ATOM 849 O ASP A 46 3.835 -0.713 13.220 1.00 0.60 O ATOM 850 CB ASP A 46 5.561 -0.484 10.602 1.00 0.58 C ATOM 851 CG ASP A 46 6.261 -1.529 11.452 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.376 -2.688 10.999 1.00 1.20 O ATOM 853 OD2 ASP A 46 6.704 -1.201 12.574 1.00 1.14 O ATOM 0 H ASP A 46 3.987 1.001 9.328 1.00 0.43 H new ATOM 0 HA ASP A 46 3.672 -1.466 10.755 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.751 -0.690 9.549 1.00 0.58 H new ATOM 0 HB3 ASP A 46 5.984 0.497 10.816 1.00 0.58 H new ATOM 858 N GLU A 47 3.332 1.307 12.390 1.00 0.49 N ATOM 859 CA GLU A 47 3.026 1.882 13.693 1.00 0.51 C ATOM 860 C GLU A 47 1.553 1.663 14.050 1.00 0.49 C ATOM 861 O GLU A 47 1.029 2.310 14.957 1.00 0.58 O ATOM 862 CB GLU A 47 3.311 3.384 13.683 1.00 0.53 C ATOM 863 CG GLU A 47 4.733 3.748 13.299 1.00 1.21 C ATOM 864 CD GLU A 47 4.964 5.245 13.308 1.00 1.73 C ATOM 865 OE1 GLU A 47 4.173 5.978 12.682 1.00 2.21 O ATOM 866 OE2 GLU A 47 5.933 5.696 13.954 1.00 2.22 O ATOM 0 H GLU A 47 3.207 1.949 11.607 1.00 0.49 H new ATOM 0 HA GLU A 47 3.654 1.388 14.435 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.625 3.867 12.988 1.00 0.53 H new ATOM 0 HB3 GLU A 47 3.100 3.788 14.673 1.00 0.53 H new ATOM 0 HG2 GLU A 47 5.427 3.271 13.991 1.00 1.21 H new ATOM 0 HG3 GLU A 47 4.951 3.355 12.306 1.00 1.21 H new ATOM 873 N LEU A 48 0.880 0.778 13.325 1.00 0.44 N ATOM 874 CA LEU A 48 -0.528 0.513 13.556 1.00 0.46 C ATOM 875 C LEU A 48 -0.770 -0.347 14.800 1.00 0.69 C ATOM 876 O LEU A 48 0.099 -0.494 15.657 1.00 1.11 O ATOM 877 CB LEU A 48 -1.118 -0.121 12.295 1.00 0.37 C ATOM 878 CG LEU A 48 -1.256 0.847 11.128 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.838 0.141 9.925 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.126 2.017 11.537 1.00 0.47 C ATOM 0 H LEU A 48 1.292 0.231 12.569 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.035 1.456 13.760 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.487 -0.956 11.990 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.099 -0.533 12.531 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.270 1.222 10.855 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -1.931 0.846 9.099 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.182 -0.678 9.631 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.822 -0.255 10.176 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.223 2.708 10.700 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.113 1.654 11.824 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.669 2.532 12.382 1.00 0.47 H new ATOM 892 N GLU A 49 -1.958 -0.923 14.858 1.00 0.61 N ATOM 893 CA GLU A 49 -2.465 -1.596 16.054 1.00 0.86 C ATOM 894 C GLU A 49 -3.055 -2.957 15.687 1.00 0.61 C ATOM 895 O GLU A 49 -2.685 -3.530 14.671 1.00 1.16 O ATOM 896 CB GLU A 49 -3.516 -0.716 16.732 1.00 1.42 C ATOM 897 CG GLU A 49 -2.925 0.465 17.480 1.00 1.33 C ATOM 898 CD GLU A 49 -2.136 0.039 18.705 1.00 2.01 C ATOM 899 OE1 GLU A 49 -2.756 -0.244 19.754 1.00 2.19 O ATOM 900 OE2 GLU A 49 -0.891 -0.009 18.629 1.00 2.83 O ATOM 0 H GLU A 49 -2.608 -0.940 14.072 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.642 -1.760 16.750 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.211 -0.347 15.978 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.094 -1.324 17.428 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -2.275 1.027 16.810 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -3.727 1.137 17.784 1.00 1.33 H new ATOM 907 N GLY A 50 -3.964 -3.472 16.509 1.00 0.74 N ATOM 908 CA GLY A 50 -4.542 -4.784 16.259 1.00 0.61 C ATOM 909 C GLY A 50 -5.375 -4.837 14.986 1.00 0.54 C ATOM 910 O GLY A 50 -4.874 -5.209 13.921 1.00 0.54 O ATOM 0 H GLY A 50 -4.313 -3.005 17.346 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -3.741 -5.521 16.193 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.166 -5.067 17.107 1.00 0.61 H new ATOM 914 N ASP A 51 -6.643 -4.461 15.094 1.00 0.54 N ATOM 915 CA ASP A 51 -7.545 -4.449 13.941 1.00 0.52 C ATOM 916 C ASP A 51 -7.114 -3.386 12.947 1.00 0.46 C ATOM 917 O ASP A 51 -7.318 -3.543 11.750 1.00 0.46 O ATOM 918 CB ASP A 51 -8.990 -4.191 14.381 1.00 0.58 C ATOM 919 CG ASP A 51 -9.600 -5.357 15.134 1.00 1.53 C ATOM 920 OD1 ASP A 51 -9.374 -5.465 16.359 1.00 2.37 O ATOM 921 OD2 ASP A 51 -10.317 -6.169 14.508 1.00 2.06 O ATOM 0 H ASP A 51 -7.074 -4.159 15.968 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.496 -5.428 13.464 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.018 -3.304 15.013 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.598 -3.976 13.502 1.00 0.58 H new ATOM 926 N ALA A 52 -6.500 -2.317 13.437 1.00 0.43 N ATOM 927 CA ALA A 52 -6.063 -1.229 12.567 1.00 0.41 C ATOM 928 C ALA A 52 -5.093 -1.746 11.514 1.00 0.40 C ATOM 929 O ALA A 52 -5.215 -1.425 10.332 1.00 0.40 O ATOM 930 CB ALA A 52 -5.431 -0.110 13.380 1.00 0.42 C ATOM 0 H ALA A 52 -6.293 -2.179 14.426 1.00 0.43 H new ATOM 0 HA ALA A 52 -6.938 -0.824 12.058 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.113 0.690 12.712 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.160 0.279 14.091 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.567 -0.496 13.921 1.00 0.42 H new ATOM 936 N LYS A 53 -4.129 -2.547 11.962 1.00 0.40 N ATOM 937 CA LYS A 53 -3.117 -3.103 11.081 1.00 0.41 C ATOM 938 C LYS A 53 -3.779 -4.058 10.101 1.00 0.41 C ATOM 939 O LYS A 53 -3.542 -3.979 8.904 1.00 0.40 O ATOM 940 CB LYS A 53 -2.050 -3.827 11.909 1.00 0.47 C ATOM 941 CG LYS A 53 -0.645 -3.781 11.327 1.00 0.52 C ATOM 942 CD LYS A 53 -0.408 -4.883 10.309 1.00 0.94 C ATOM 943 CE LYS A 53 1.051 -4.931 9.879 1.00 0.83 C ATOM 944 NZ LYS A 53 1.322 -6.043 8.929 1.00 1.62 N ATOM 0 H LYS A 53 -4.031 -2.824 12.939 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.631 -2.303 10.522 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.028 -3.390 12.908 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.346 -4.870 12.023 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.481 -2.812 10.856 1.00 0.52 H new ATOM 0 HG3 LYS A 53 0.083 -3.871 12.133 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.696 -5.844 10.736 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -1.041 -4.719 9.437 1.00 0.94 H new ATOM 0 HE2 LYS A 53 1.322 -3.984 9.413 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.684 -5.045 10.759 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 2.213 -6.513 9.189 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 0.543 -6.731 8.969 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.400 -5.664 7.964 1.00 1.62 H new ATOM 958 N LYS A 54 -4.619 -4.945 10.629 1.00 0.44 N ATOM 959 CA LYS A 54 -5.360 -5.897 9.802 1.00 0.47 C ATOM 960 C LYS A 54 -6.174 -5.173 8.726 1.00 0.44 C ATOM 961 O LYS A 54 -6.128 -5.534 7.550 1.00 0.46 O ATOM 962 CB LYS A 54 -6.252 -6.782 10.680 1.00 0.52 C ATOM 963 CG LYS A 54 -7.738 -6.650 10.409 1.00 0.99 C ATOM 964 CD LYS A 54 -8.465 -7.905 10.824 1.00 0.97 C ATOM 965 CE LYS A 54 -9.939 -7.846 10.462 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.159 -7.544 9.023 1.00 2.49 N ATOM 0 H LYS A 54 -4.805 -5.025 11.629 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.645 -6.541 9.289 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -5.961 -7.823 10.537 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.064 -6.540 11.726 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.138 -5.794 10.953 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -7.905 -6.460 9.349 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.006 -8.768 10.341 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.360 -8.048 11.899 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.408 -8.799 10.706 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.429 -7.085 11.069 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.053 -7.974 8.711 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -10.205 -6.514 8.888 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -9.373 -7.932 8.463 1.00 2.49 H new ATOM 980 N GLU A 55 -6.883 -4.128 9.136 1.00 0.42 N ATOM 981 CA GLU A 55 -7.725 -3.371 8.235 1.00 0.41 C ATOM 982 C GLU A 55 -6.876 -2.628 7.223 1.00 0.39 C ATOM 983 O GLU A 55 -7.173 -2.660 6.029 1.00 0.41 O ATOM 984 CB GLU A 55 -8.578 -2.401 9.048 1.00 0.42 C ATOM 985 CG GLU A 55 -9.719 -3.075 9.788 1.00 0.89 C ATOM 986 CD GLU A 55 -10.712 -3.746 8.861 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.450 -3.034 8.152 1.00 1.34 O ATOM 988 OE2 GLU A 55 -10.763 -4.993 8.834 1.00 2.27 O ATOM 0 H GLU A 55 -6.887 -3.788 10.098 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.380 -4.048 7.687 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -7.942 -1.886 9.768 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.986 -1.641 8.381 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -9.311 -3.818 10.474 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.240 -2.334 10.394 1.00 0.89 H new ATOM 995 N ALA A 56 -5.824 -1.966 7.671 1.00 0.36 N ATOM 996 CA ALA A 56 -4.957 -1.272 6.746 1.00 0.34 C ATOM 997 C ALA A 56 -4.347 -2.259 5.768 1.00 0.36 C ATOM 998 O ALA A 56 -4.403 -2.055 4.562 1.00 0.37 O ATOM 999 CB ALA A 56 -3.879 -0.498 7.477 1.00 0.31 C ATOM 0 H ALA A 56 -5.555 -1.896 8.653 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.555 -0.550 6.189 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.244 0.013 6.753 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.342 0.237 8.136 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.275 -1.186 8.068 1.00 0.31 H new ATOM 1005 N THR A 57 -3.786 -3.337 6.295 1.00 0.38 N ATOM 1006 CA THR A 57 -3.150 -4.354 5.478 1.00 0.41 C ATOM 1007 C THR A 57 -4.071 -4.869 4.375 1.00 0.44 C ATOM 1008 O THR A 57 -3.675 -4.986 3.222 1.00 0.45 O ATOM 1009 CB THR A 57 -2.698 -5.556 6.328 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.827 -5.119 7.373 1.00 0.43 O ATOM 1011 CG2 THR A 57 -1.984 -6.586 5.471 1.00 0.51 C ATOM 0 H THR A 57 -3.760 -3.529 7.296 1.00 0.38 H new ATOM 0 HA THR A 57 -2.284 -3.871 5.024 1.00 0.41 H new ATOM 0 HB THR A 57 -3.585 -6.016 6.763 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.271 -4.421 7.898 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.674 -7.425 6.093 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.658 -6.941 4.692 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.106 -6.132 5.012 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.323 -5.127 4.754 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.350 -5.570 3.823 1.00 0.49 C ATOM 1021 C GLU A 58 -6.730 -4.465 2.835 1.00 0.48 C ATOM 1022 O GLU A 58 -7.165 -4.751 1.718 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.565 -6.084 4.600 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.320 -7.453 5.216 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.506 -7.978 5.994 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -9.579 -8.186 5.390 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -8.376 -8.172 7.221 1.00 1.71 O ATOM 0 H GLU A 58 -5.649 -5.033 5.716 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.951 -6.391 3.227 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.817 -5.374 5.387 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.425 -6.137 3.932 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.071 -8.161 4.425 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.456 -7.397 5.878 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.550 -3.205 3.220 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.817 -2.097 2.309 1.00 0.43 C ATOM 1036 C HIS A 59 -5.683 -1.983 1.308 1.00 0.42 C ATOM 1037 O HIS A 59 -5.911 -1.884 0.100 1.00 0.44 O ATOM 1038 CB HIS A 59 -6.989 -0.773 3.057 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.349 -0.577 3.651 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.507 -0.588 2.905 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.734 -0.356 4.929 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.542 -0.385 3.697 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -10.100 -0.242 4.932 1.00 0.57 N ATOM 0 H HIS A 59 -6.224 -2.928 4.146 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.753 -2.304 1.790 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.246 -0.719 3.853 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -6.782 0.049 2.371 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.084 -0.283 5.789 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.576 -0.343 3.387 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.680 -0.074 5.754 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.459 -1.990 1.821 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.276 -2.052 1.000 1.00 0.40 C ATOM 1054 C LEU A 60 -3.283 -3.284 0.105 1.00 0.43 C ATOM 1055 O LEU A 60 -2.772 -3.239 -1.015 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.033 -2.031 1.882 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.645 -0.641 2.365 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.651 -0.089 3.342 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.243 -0.632 2.954 1.00 0.59 C ATOM 0 H LEU A 60 -4.268 -1.952 2.822 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.264 -1.178 0.349 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.202 -2.672 2.747 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.198 -2.459 1.327 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.644 0.015 1.494 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.339 0.905 3.664 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.627 -0.025 2.862 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.716 -0.747 4.208 1.00 0.62 H new ATOM 0 HD21 LEU A 60 0.004 0.375 3.290 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.199 -1.318 3.800 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.473 -0.947 2.195 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.863 -4.385 0.586 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.996 -5.583 -0.227 1.00 0.50 C ATOM 1073 C LYS A 61 -4.858 -5.294 -1.435 1.00 0.53 C ATOM 1074 O LYS A 61 -4.430 -5.511 -2.559 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.593 -6.747 0.568 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.594 -7.454 1.470 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.225 -8.637 2.183 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.205 -9.391 3.022 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.803 -10.571 3.700 1.00 0.67 N ATOM 0 H LYS A 61 -4.244 -4.467 1.529 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.997 -5.876 -0.549 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.416 -6.374 1.177 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -5.015 -7.471 -0.129 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.746 -7.796 0.877 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.205 -6.750 2.206 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -5.036 -8.288 2.822 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.665 -9.313 1.450 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.382 -9.717 2.386 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.783 -8.719 3.769 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.074 -11.056 4.261 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.571 -10.258 4.327 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.183 -11.225 2.987 1.00 0.67 H new ATOM 1093 N GLY A 62 -6.072 -4.801 -1.200 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.940 -4.399 -2.291 1.00 0.56 C ATOM 1095 C GLY A 62 -6.266 -3.399 -3.211 1.00 0.55 C ATOM 1096 O GLY A 62 -6.443 -3.448 -4.426 1.00 0.59 O ATOM 0 H GLY A 62 -6.470 -4.673 -0.269 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.234 -5.278 -2.864 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.853 -3.962 -1.886 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.493 -2.490 -2.620 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.702 -1.553 -3.396 1.00 0.49 C ATOM 1102 C GLY A 63 -3.748 -2.243 -4.348 1.00 0.49 C ATOM 1103 O GLY A 63 -3.743 -1.968 -5.547 1.00 0.50 O ATOM 0 H GLY A 63 -5.401 -2.387 -1.609 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.369 -0.903 -3.963 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.135 -0.914 -2.719 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.947 -3.148 -3.813 1.00 0.51 N ATOM 1108 CA CYS A 64 -2.000 -3.898 -4.621 1.00 0.55 C ATOM 1109 C CYS A 64 -2.736 -4.874 -5.534 1.00 0.56 C ATOM 1110 O CYS A 64 -2.268 -5.198 -6.622 1.00 0.56 O ATOM 1111 CB CYS A 64 -1.014 -4.641 -3.720 1.00 0.68 C ATOM 1112 SG CYS A 64 0.241 -5.598 -4.628 1.00 1.13 S ATOM 0 H CYS A 64 -2.933 -3.382 -2.820 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.441 -3.201 -5.246 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.511 -3.919 -3.076 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.570 -5.316 -3.069 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.907 -5.314 -5.095 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.743 -6.207 -5.884 1.00 0.67 C ATOM 1119 C ARG A 65 -5.283 -5.484 -7.115 1.00 0.65 C ATOM 1120 O ARG A 65 -5.788 -6.108 -8.034 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.897 -6.769 -5.041 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.721 -7.831 -5.758 1.00 0.86 C ATOM 1123 CD ARG A 65 -5.895 -9.072 -6.074 1.00 1.49 C ATOM 1124 NE ARG A 65 -6.592 -9.977 -6.992 1.00 2.07 N ATOM 1125 CZ ARG A 65 -6.107 -11.146 -7.411 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -4.957 -11.610 -6.932 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -6.790 -11.867 -8.295 1.00 3.80 N ATOM 0 H ARG A 65 -4.302 -5.064 -4.188 1.00 0.62 H new ATOM 0 HA ARG A 65 -4.127 -7.044 -6.214 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.491 -7.195 -4.124 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.553 -5.950 -4.748 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -7.573 -8.110 -5.138 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -7.122 -7.416 -6.683 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -4.944 -8.772 -6.514 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -5.666 -9.600 -5.148 1.00 1.49 H new ATOM 0 HE ARG A 65 -7.510 -9.693 -7.333 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -4.439 -11.071 -6.239 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -4.593 -12.505 -7.258 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -7.683 -11.525 -8.651 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -6.421 -12.762 -8.617 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.221 -4.167 -7.115 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.567 -3.410 -8.303 1.00 0.55 C ATOM 1143 C GLU A 66 -4.332 -3.173 -9.156 1.00 0.48 C ATOM 1144 O GLU A 66 -4.383 -3.277 -10.380 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.249 -2.093 -7.939 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.661 -2.287 -7.416 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.535 -3.042 -8.401 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -9.161 -2.394 -9.268 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.604 -4.286 -8.308 1.00 2.02 O ATOM 0 H GLU A 66 -4.937 -3.603 -6.314 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.278 -3.994 -8.887 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.655 -1.578 -7.185 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.277 -1.449 -8.818 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -7.626 -2.831 -6.472 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -8.107 -1.314 -7.207 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.213 -2.884 -8.500 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.962 -2.641 -9.207 1.00 0.47 C ATOM 1158 C ILE A 67 -1.378 -3.926 -9.761 1.00 0.45 C ATOM 1159 O ILE A 67 -1.405 -4.158 -10.966 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.897 -1.984 -8.303 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -1.363 -0.595 -7.864 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.450 -1.912 -9.030 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -0.408 0.099 -6.920 1.00 0.81 C ATOM 0 H ILE A 67 -3.147 -2.813 -7.485 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.212 -1.961 -10.022 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.764 -2.595 -7.411 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.502 0.028 -8.748 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -2.336 -0.684 -7.381 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.190 -1.446 -8.379 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.777 -2.919 -9.290 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.342 -1.320 -9.939 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.807 1.078 -6.654 1.00 0.81 H new ATOM 0 HD12 ILE A 67 -0.287 -0.501 -6.018 1.00 0.81 H new ATOM 0 HD13 ILE A 67 0.560 0.222 -7.406 1.00 0.81 H new ATOM 1175 N LEU A 68 -0.883 -4.764 -8.862 1.00 0.61 N ATOM 1176 CA LEU A 68 -0.112 -5.936 -9.231 1.00 0.80 C ATOM 1177 C LEU A 68 -0.952 -6.893 -10.056 1.00 0.82 C ATOM 1178 O LEU A 68 -0.472 -7.462 -11.035 1.00 0.88 O ATOM 1179 CB LEU A 68 0.394 -6.643 -7.971 1.00 1.12 C ATOM 1180 CG LEU A 68 1.483 -7.691 -8.199 1.00 1.34 C ATOM 1181 CD1 LEU A 68 2.795 -7.016 -8.567 1.00 1.58 C ATOM 1182 CD2 LEU A 68 1.653 -8.559 -6.962 1.00 1.71 C ATOM 0 H LEU A 68 -1.006 -4.648 -7.856 1.00 0.61 H new ATOM 0 HA LEU A 68 0.738 -5.615 -9.833 1.00 0.80 H new ATOM 0 HB2 LEU A 68 0.777 -5.890 -7.282 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -0.452 -7.124 -7.480 1.00 1.12 H new ATOM 0 HG LEU A 68 1.182 -8.333 -9.027 1.00 1.34 H new ATOM 0 HD11 LEU A 68 3.562 -7.774 -8.727 1.00 1.58 H new ATOM 0 HD12 LEU A 68 2.662 -6.436 -9.480 1.00 1.58 H new ATOM 0 HD13 LEU A 68 3.103 -6.353 -7.758 1.00 1.58 H new ATOM 0 HD21 LEU A 68 2.432 -9.300 -7.142 1.00 1.71 H new ATOM 0 HD22 LEU A 68 1.935 -7.934 -6.115 1.00 1.71 H new ATOM 0 HD23 LEU A 68 0.714 -9.066 -6.742 1.00 1.71 H new ATOM 1194 N LYS A 69 -2.181 -7.102 -9.596 1.00 0.95 N ATOM 1195 CA LYS A 69 -3.064 -8.002 -10.308 1.00 1.24 C ATOM 1196 C LYS A 69 -3.082 -7.641 -11.794 1.00 1.20 C ATOM 1197 O LYS A 69 -2.446 -8.311 -12.592 1.00 1.61 O ATOM 1198 CB LYS A 69 -4.478 -7.898 -9.719 1.00 1.39 C ATOM 1199 CG LYS A 69 -5.581 -8.524 -10.563 1.00 1.43 C ATOM 1200 CD LYS A 69 -6.952 -7.927 -10.247 1.00 1.50 C ATOM 1201 CE LYS A 69 -7.084 -6.509 -10.790 1.00 1.68 C ATOM 1202 NZ LYS A 69 -8.382 -5.874 -10.432 1.00 2.22 N ATOM 0 H LYS A 69 -2.575 -6.673 -8.759 1.00 0.95 H new ATOM 0 HA LYS A 69 -2.707 -9.026 -10.201 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -4.481 -8.372 -8.737 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -4.714 -6.845 -9.566 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -5.357 -8.377 -11.620 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -5.605 -9.600 -10.388 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -7.731 -8.556 -10.677 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -7.107 -7.920 -9.168 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -6.267 -5.899 -10.404 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -6.981 -6.529 -11.875 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -8.787 -5.414 -11.272 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -9.040 -6.601 -10.084 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -8.227 -5.163 -9.689 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.860 -6.629 -12.164 1.00 1.05 N ATOM 1217 CA HIS A 70 -3.771 -5.977 -13.483 1.00 1.16 C ATOM 1218 C HIS A 70 -2.348 -5.885 -14.061 1.00 0.91 C ATOM 1219 O HIS A 70 -2.183 -5.967 -15.277 1.00 0.89 O ATOM 1220 CB HIS A 70 -4.377 -4.558 -13.354 1.00 1.41 C ATOM 1221 CG HIS A 70 -3.721 -3.478 -14.185 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -4.293 -2.945 -15.320 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -2.541 -2.813 -14.022 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -3.506 -2.009 -15.813 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -2.440 -1.911 -15.047 1.00 1.74 N ATOM 0 H HIS A 70 -4.577 -6.229 -11.559 1.00 1.05 H new ATOM 0 HA HIS A 70 -4.323 -6.600 -14.186 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -5.431 -4.609 -13.627 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -4.333 -4.260 -12.307 1.00 1.41 H new ATOM 0 HD2 HIS A 70 -1.821 -2.969 -13.232 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -3.703 -1.421 -16.697 1.00 1.76 H new ATOM 0 HE2 HIS A 70 -1.663 -1.266 -15.194 1.00 1.74 H new ATOM 1234 N VAL A 71 -1.336 -5.687 -13.230 1.00 0.76 N ATOM 1235 CA VAL A 71 0.006 -5.437 -13.732 1.00 0.69 C ATOM 1236 C VAL A 71 0.627 -6.697 -14.361 1.00 0.52 C ATOM 1237 O VAL A 71 1.247 -6.613 -15.419 1.00 0.59 O ATOM 1238 CB VAL A 71 0.889 -4.795 -12.636 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.853 -5.741 -11.978 1.00 1.01 C ATOM 1240 CG2 VAL A 71 1.634 -3.629 -13.196 1.00 1.46 C ATOM 0 H VAL A 71 -1.417 -5.694 -12.213 1.00 0.76 H new ATOM 0 HA VAL A 71 -0.059 -4.713 -14.544 1.00 0.69 H new ATOM 0 HB VAL A 71 0.199 -4.476 -11.855 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.430 -5.206 -11.224 1.00 1.01 H new ATOM 0 HG12 VAL A 71 1.300 -6.552 -11.504 1.00 1.01 H new ATOM 0 HG13 VAL A 71 2.529 -6.152 -12.728 1.00 1.01 H new ATOM 0 HG21 VAL A 71 2.253 -3.184 -12.417 1.00 1.46 H new ATOM 0 HG22 VAL A 71 2.269 -3.963 -14.017 1.00 1.46 H new ATOM 0 HG23 VAL A 71 0.925 -2.887 -13.564 1.00 1.46 H new ATOM 1250 N VAL A 72 0.447 -7.858 -13.741 1.00 0.44 N ATOM 1251 CA VAL A 72 0.716 -9.117 -14.436 1.00 0.46 C ATOM 1252 C VAL A 72 -0.478 -9.426 -15.344 1.00 0.47 C ATOM 1253 O VAL A 72 -0.337 -10.115 -16.355 1.00 0.64 O ATOM 1254 CB VAL A 72 0.970 -10.304 -13.471 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -0.305 -10.740 -12.762 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.620 -11.443 -14.225 1.00 0.80 C ATOM 0 H VAL A 72 0.123 -7.957 -12.779 1.00 0.44 H new ATOM 0 HA VAL A 72 1.632 -8.995 -15.014 1.00 0.46 H new ATOM 0 HB VAL A 72 1.653 -9.977 -12.688 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -0.084 -11.574 -12.095 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -0.702 -9.907 -12.182 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.043 -11.052 -13.501 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.797 -12.276 -13.544 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.963 -11.767 -15.032 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.569 -11.108 -14.643 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.640 -8.907 -14.999 1.00 0.45 N ATOM 1267 CA GLY A 73 -2.805 -9.079 -15.836 1.00 0.48 C ATOM 1268 C GLY A 73 -3.881 -9.879 -15.149 1.00 0.50 C ATOM 1269 O GLY A 73 -3.592 -10.675 -14.249 1.00 0.55 O ATOM 0 H GLY A 73 -1.800 -8.366 -14.149 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.201 -8.101 -16.112 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -2.516 -9.579 -16.761 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.126 -9.669 -15.565 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.249 -10.401 -14.998 1.00 0.58 C ATOM 1275 C GLU A 74 -6.041 -11.896 -15.178 1.00 0.53 C ATOM 1276 O GLU A 74 -6.273 -12.666 -14.255 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.565 -9.970 -15.644 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.764 -10.756 -15.138 1.00 1.45 C ATOM 1279 CD GLU A 74 -10.056 -10.343 -15.803 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -10.275 -10.718 -16.974 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -10.861 -9.642 -15.157 1.00 2.10 O ATOM 0 H GLU A 74 -5.381 -8.999 -16.291 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.303 -10.174 -13.933 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.726 -8.909 -15.452 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -7.489 -10.091 -16.725 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -8.595 -11.819 -15.310 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -8.855 -10.618 -14.061 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.581 -12.279 -16.370 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.222 -13.663 -16.677 1.00 0.55 C ATOM 1290 C GLU A 75 -4.485 -14.316 -15.516 1.00 0.53 C ATOM 1291 O GLU A 75 -4.987 -15.242 -14.875 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.353 -13.698 -17.938 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.826 -15.078 -18.280 1.00 0.95 C ATOM 1294 CD GLU A 75 -3.220 -15.140 -19.664 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -2.030 -14.789 -19.821 1.00 2.00 O ATOM 1296 OE2 GLU A 75 -3.933 -15.538 -20.607 1.00 1.31 O ATOM 0 H GLU A 75 -5.447 -11.636 -17.151 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.140 -14.226 -16.847 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.935 -13.323 -18.780 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.510 -13.020 -17.806 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.076 -15.369 -17.545 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.638 -15.801 -18.210 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.297 -13.798 -15.248 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.385 -14.396 -14.294 1.00 0.51 C ATOM 1305 C LYS A 76 -2.900 -14.274 -12.868 1.00 0.55 C ATOM 1306 O LYS A 76 -2.857 -15.235 -12.098 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.020 -13.731 -14.427 1.00 0.47 C ATOM 1308 CG LYS A 76 0.016 -14.249 -13.451 1.00 1.16 C ATOM 1309 CD LYS A 76 0.076 -15.777 -13.411 1.00 1.43 C ATOM 1310 CE LYS A 76 0.804 -16.382 -14.610 1.00 0.71 C ATOM 1311 NZ LYS A 76 0.068 -16.227 -15.896 1.00 1.13 N ATOM 0 H LYS A 76 -2.940 -12.950 -15.688 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.302 -15.460 -14.514 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -0.653 -13.879 -15.443 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -1.135 -12.657 -14.283 1.00 0.47 H new ATOM 0 HG2 LYS A 76 0.996 -13.858 -13.726 1.00 1.16 H new ATOM 0 HG3 LYS A 76 -0.210 -13.872 -12.454 1.00 1.16 H new ATOM 0 HD2 LYS A 76 0.576 -16.091 -12.495 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -0.939 -16.173 -13.372 1.00 1.43 H new ATOM 0 HE2 LYS A 76 1.784 -15.914 -14.703 1.00 0.71 H new ATOM 0 HE3 LYS A 76 0.974 -17.442 -14.424 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 0.372 -16.967 -16.561 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -0.954 -16.314 -15.724 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 0.272 -15.292 -16.302 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.397 -13.105 -12.518 1.00 0.57 N ATOM 1326 CA ALA A 77 -3.866 -12.863 -11.166 1.00 0.64 C ATOM 1327 C ALA A 77 -5.122 -13.672 -10.866 1.00 0.65 C ATOM 1328 O ALA A 77 -5.429 -13.955 -9.706 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.118 -11.389 -10.958 1.00 0.68 C ATOM 0 H ALA A 77 -3.487 -12.308 -13.148 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.090 -13.187 -10.473 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -4.469 -11.220 -9.940 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.193 -10.835 -11.119 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -4.874 -11.046 -11.664 1.00 0.68 H new ATOM 1335 N ALA A 78 -5.847 -14.035 -11.918 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.007 -14.900 -11.791 1.00 0.67 C ATOM 1337 C ALA A 78 -6.551 -16.320 -11.486 1.00 0.67 C ATOM 1338 O ALA A 78 -7.196 -17.042 -10.726 1.00 0.73 O ATOM 1339 CB ALA A 78 -7.831 -14.864 -13.069 1.00 0.66 C ATOM 0 H ALA A 78 -5.647 -13.739 -12.874 1.00 0.63 H new ATOM 0 HA ALA A 78 -7.634 -14.547 -10.972 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.698 -15.516 -12.962 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.166 -13.844 -13.258 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.221 -15.206 -13.905 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.418 -16.696 -12.065 1.00 0.62 N ATOM 1346 CA GLU A 79 -4.841 -18.011 -11.834 1.00 0.65 C ATOM 1347 C GLU A 79 -4.349 -18.131 -10.408 1.00 0.66 C ATOM 1348 O GLU A 79 -4.442 -19.186 -9.797 1.00 0.67 O ATOM 1349 CB GLU A 79 -3.660 -18.268 -12.766 1.00 0.65 C ATOM 1350 CG GLU A 79 -3.962 -18.044 -14.227 1.00 0.85 C ATOM 1351 CD GLU A 79 -2.823 -18.486 -15.122 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -2.551 -19.706 -15.187 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -2.193 -17.622 -15.765 1.00 1.26 O ATOM 0 H GLU A 79 -4.880 -16.106 -12.700 1.00 0.62 H new ATOM 0 HA GLU A 79 -5.625 -18.744 -12.027 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -2.834 -17.619 -12.474 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -3.322 -19.295 -12.630 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -4.866 -18.589 -14.497 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.165 -16.987 -14.396 1.00 0.85 H new ATOM 1360 N LEU A 80 -3.844 -17.020 -9.884 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.383 -16.952 -8.511 1.00 0.70 C ATOM 1362 C LEU A 80 -4.565 -16.861 -7.555 1.00 0.74 C ATOM 1363 O LEU A 80 -4.511 -17.363 -6.434 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.460 -15.748 -8.358 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.279 -15.748 -9.328 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.600 -14.395 -9.351 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.291 -16.840 -8.960 1.00 0.98 C ATOM 0 H LEU A 80 -3.745 -16.146 -10.401 1.00 0.66 H new ATOM 0 HA LEU A 80 -2.831 -17.859 -8.264 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.040 -14.837 -8.506 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.079 -15.721 -7.337 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.659 -15.950 -10.330 1.00 0.66 H new ATOM 0 HD11 LEU A 80 0.237 -14.420 -10.048 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.314 -13.635 -9.668 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.234 -14.155 -8.353 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.544 -16.826 -9.661 1.00 0.98 H new ATOM 0 HD22 LEU A 80 0.080 -16.669 -7.950 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -0.787 -17.810 -9.005 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.639 -16.227 -8.017 1.00 0.74 N ATOM 1380 CA LYS A 81 -6.872 -16.146 -7.246 1.00 0.79 C ATOM 1381 C LYS A 81 -7.459 -17.539 -7.059 1.00 0.77 C ATOM 1382 O LYS A 81 -7.727 -17.965 -5.934 1.00 0.79 O ATOM 1383 CB LYS A 81 -7.888 -15.237 -7.947 1.00 0.83 C ATOM 1384 CG LYS A 81 -9.265 -15.233 -7.293 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.242 -14.603 -5.909 1.00 1.34 C ATOM 1386 CE LYS A 81 -9.129 -13.086 -5.977 1.00 1.68 C ATOM 1387 NZ LYS A 81 -10.262 -12.474 -6.722 1.00 2.12 N ATOM 0 H LYS A 81 -5.678 -15.761 -8.924 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.644 -15.719 -6.269 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.500 -14.218 -7.962 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -7.990 -15.554 -8.985 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -9.965 -14.688 -7.927 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -9.633 -16.256 -7.218 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -10.150 -14.876 -5.371 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -8.402 -15.004 -5.341 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -9.098 -12.679 -4.966 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -8.190 -12.814 -6.459 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -10.331 -11.465 -6.481 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -10.100 -12.575 -7.744 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -11.148 -12.954 -6.463 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.640 -18.247 -8.167 1.00 0.75 N ATOM 1402 CA ASN A 82 -8.178 -19.601 -8.121 1.00 0.75 C ATOM 1403 C ASN A 82 -7.187 -20.517 -7.420 1.00 0.74 C ATOM 1404 O ASN A 82 -7.587 -21.418 -6.691 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.474 -20.120 -9.533 1.00 0.73 C ATOM 1406 CG ASN A 82 -9.330 -21.373 -9.529 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -10.559 -21.297 -9.545 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -8.693 -22.533 -9.521 1.00 1.54 N ATOM 0 H ASN A 82 -7.423 -17.908 -9.104 1.00 0.75 H new ATOM 0 HA ASN A 82 -9.115 -19.587 -7.564 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -8.980 -19.341 -10.103 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.534 -20.329 -10.043 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -9.222 -23.405 -9.528 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -7.673 -22.555 -9.508 1.00 1.54 H new ATOM 1415 N LEU A 83 -5.896 -20.273 -7.623 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.870 -21.080 -6.989 1.00 0.72 C ATOM 1417 C LEU A 83 -5.018 -20.999 -5.479 1.00 0.74 C ATOM 1418 O LEU A 83 -4.976 -22.012 -4.788 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.486 -20.593 -7.410 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.665 -21.583 -8.241 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -1.442 -20.895 -8.829 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -2.245 -22.776 -7.393 1.00 1.37 C ATOM 0 H LEU A 83 -5.541 -19.526 -8.219 1.00 0.72 H new ATOM 0 HA LEU A 83 -4.984 -22.117 -7.303 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.602 -19.673 -7.983 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -2.920 -20.341 -6.513 1.00 0.75 H new ATOM 0 HG LEU A 83 -3.288 -21.945 -9.059 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.869 -21.612 -9.417 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -1.760 -20.072 -9.469 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -0.820 -20.507 -8.022 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -1.663 -23.468 -8.001 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -1.639 -22.431 -6.555 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -3.132 -23.284 -7.015 1.00 1.37 H new ATOM 1434 N LYS A 84 -5.234 -19.784 -4.988 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.403 -19.541 -3.565 1.00 0.81 C ATOM 1436 C LYS A 84 -6.532 -20.396 -2.994 1.00 0.83 C ATOM 1437 O LYS A 84 -6.323 -21.167 -2.053 1.00 0.87 O ATOM 1438 CB LYS A 84 -5.696 -18.060 -3.324 1.00 0.88 C ATOM 1439 CG LYS A 84 -5.830 -17.696 -1.858 1.00 0.96 C ATOM 1440 CD LYS A 84 -6.061 -16.206 -1.670 1.00 1.19 C ATOM 1441 CE LYS A 84 -6.100 -15.837 -0.199 1.00 1.54 C ATOM 1442 NZ LYS A 84 -4.830 -16.189 0.492 1.00 2.27 N ATOM 0 H LYS A 84 -5.296 -18.945 -5.564 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.478 -19.815 -3.057 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -4.897 -17.464 -3.766 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -6.617 -17.792 -3.842 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -6.659 -18.251 -1.419 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -4.928 -17.995 -1.324 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -5.268 -15.647 -2.167 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -6.999 -15.918 -2.145 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -6.285 -14.768 -0.097 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -6.931 -16.352 0.283 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -4.766 -15.665 1.388 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -4.812 -17.211 0.686 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -4.024 -15.938 -0.115 1.00 2.27 H new ATOM 1456 N ASP A 85 -7.719 -20.277 -3.584 1.00 0.84 N ATOM 1457 CA ASP A 85 -8.895 -21.002 -3.100 1.00 0.91 C ATOM 1458 C ASP A 85 -8.809 -22.495 -3.403 1.00 0.90 C ATOM 1459 O ASP A 85 -9.468 -23.305 -2.749 1.00 0.94 O ATOM 1460 CB ASP A 85 -10.172 -20.424 -3.708 1.00 0.98 C ATOM 1461 CG ASP A 85 -10.453 -19.016 -3.228 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -10.816 -18.846 -2.048 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -10.310 -18.065 -4.028 1.00 2.52 O ATOM 0 H ASP A 85 -7.894 -19.687 -4.397 1.00 0.84 H new ATOM 0 HA ASP A 85 -8.923 -20.879 -2.017 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -10.086 -20.424 -4.795 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -11.015 -21.067 -3.454 1.00 0.98 H new ATOM 1468 N SER A 86 -7.990 -22.854 -4.385 1.00 0.86 N ATOM 1469 CA SER A 86 -7.772 -24.252 -4.733 1.00 0.90 C ATOM 1470 C SER A 86 -6.822 -24.892 -3.725 1.00 0.84 C ATOM 1471 O SER A 86 -6.714 -26.117 -3.631 1.00 0.96 O ATOM 1472 CB SER A 86 -7.201 -24.358 -6.154 1.00 0.97 C ATOM 1473 OG SER A 86 -7.025 -25.708 -6.555 1.00 1.52 O ATOM 0 H SER A 86 -7.464 -22.192 -4.956 1.00 0.86 H new ATOM 0 HA SER A 86 -8.724 -24.782 -4.703 1.00 0.90 H new ATOM 0 HB2 SER A 86 -7.871 -23.856 -6.853 1.00 0.97 H new ATOM 0 HB3 SER A 86 -6.244 -23.838 -6.200 1.00 0.97 H new ATOM 0 HG SER A 86 -6.662 -25.734 -7.465 1.00 1.52 H new ATOM 1479 N GLY A 87 -6.140 -24.048 -2.969 1.00 0.80 N ATOM 1480 CA GLY A 87 -5.278 -24.527 -1.917 1.00 0.88 C ATOM 1481 C GLY A 87 -3.829 -24.171 -2.149 1.00 0.82 C ATOM 1482 O GLY A 87 -2.939 -24.982 -1.887 1.00 0.92 O ATOM 0 H GLY A 87 -6.170 -23.033 -3.068 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -5.604 -24.107 -0.965 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -5.374 -25.610 -1.838 1.00 0.88 H new ATOM 1486 N ALA A 88 -3.575 -22.963 -2.629 1.00 0.76 N ATOM 1487 CA ALA A 88 -2.210 -22.505 -2.778 1.00 0.76 C ATOM 1488 C ALA A 88 -1.748 -21.948 -1.452 1.00 0.80 C ATOM 1489 O ALA A 88 -2.396 -21.093 -0.850 1.00 0.83 O ATOM 1490 CB ALA A 88 -2.109 -21.438 -3.852 1.00 0.76 C ATOM 0 H ALA A 88 -4.288 -22.293 -2.917 1.00 0.76 H new ATOM 0 HA ALA A 88 -1.579 -23.341 -3.080 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -1.073 -21.111 -3.944 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -2.446 -21.847 -4.804 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -2.735 -20.588 -3.580 1.00 0.76 H new ATOM 1496 N SER A 89 -0.623 -22.470 -1.015 1.00 0.81 N ATOM 1497 CA SER A 89 0.000 -22.052 0.209 1.00 0.86 C ATOM 1498 C SER A 89 0.624 -20.676 0.038 1.00 0.78 C ATOM 1499 O SER A 89 0.572 -20.096 -1.054 1.00 0.77 O ATOM 1500 CB SER A 89 1.066 -23.070 0.602 1.00 0.93 C ATOM 1501 OG SER A 89 2.021 -23.231 -0.431 1.00 1.60 O ATOM 0 H SER A 89 -0.115 -23.204 -1.509 1.00 0.81 H new ATOM 0 HA SER A 89 -0.751 -21.992 0.996 1.00 0.86 H new ATOM 0 HB2 SER A 89 1.565 -22.745 1.515 1.00 0.93 H new ATOM 0 HB3 SER A 89 0.595 -24.029 0.819 1.00 0.93 H new ATOM 0 HG SER A 89 2.261 -24.178 -0.510 1.00 1.60 H new ATOM 1507 N LYS A 90 1.231 -20.164 1.095 1.00 0.76 N ATOM 1508 CA LYS A 90 1.943 -18.901 1.010 1.00 0.74 C ATOM 1509 C LYS A 90 3.065 -19.014 -0.017 1.00 0.69 C ATOM 1510 O LYS A 90 3.469 -18.026 -0.617 1.00 0.67 O ATOM 1511 CB LYS A 90 2.520 -18.516 2.376 1.00 0.81 C ATOM 1512 CG LYS A 90 1.485 -18.500 3.488 1.00 1.29 C ATOM 1513 CD LYS A 90 2.125 -18.325 4.857 1.00 1.77 C ATOM 1514 CE LYS A 90 2.615 -16.904 5.087 1.00 2.22 C ATOM 1515 NZ LYS A 90 1.491 -15.937 5.214 1.00 2.96 N ATOM 0 H LYS A 90 1.245 -20.600 2.017 1.00 0.76 H new ATOM 0 HA LYS A 90 1.245 -18.124 0.699 1.00 0.74 H new ATOM 0 HB2 LYS A 90 3.312 -19.217 2.638 1.00 0.81 H new ATOM 0 HB3 LYS A 90 2.979 -17.530 2.303 1.00 0.81 H new ATOM 0 HG2 LYS A 90 0.776 -17.691 3.313 1.00 1.29 H new ATOM 0 HG3 LYS A 90 0.917 -19.430 3.469 1.00 1.29 H new ATOM 0 HD2 LYS A 90 1.402 -18.587 5.630 1.00 1.77 H new ATOM 0 HD3 LYS A 90 2.962 -19.016 4.955 1.00 1.77 H new ATOM 0 HE2 LYS A 90 3.223 -16.873 5.991 1.00 2.22 H new ATOM 0 HE3 LYS A 90 3.258 -16.605 4.260 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 1.850 -15.034 5.584 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 1.060 -15.781 4.281 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 0.776 -16.319 5.866 1.00 2.96 H new ATOM 1529 N GLU A 91 3.527 -20.243 -0.241 1.00 0.71 N ATOM 1530 CA GLU A 91 4.667 -20.494 -1.107 1.00 0.70 C ATOM 1531 C GLU A 91 4.270 -20.671 -2.574 1.00 0.67 C ATOM 1532 O GLU A 91 4.954 -20.182 -3.457 1.00 0.67 O ATOM 1533 CB GLU A 91 5.432 -21.714 -0.626 1.00 0.73 C ATOM 1534 CG GLU A 91 6.084 -21.502 0.724 1.00 1.30 C ATOM 1535 CD GLU A 91 6.926 -20.244 0.778 1.00 1.74 C ATOM 1536 OE1 GLU A 91 7.931 -20.163 0.038 1.00 2.34 O ATOM 1537 OE2 GLU A 91 6.595 -19.335 1.564 1.00 2.10 O ATOM 0 H GLU A 91 3.122 -21.084 0.171 1.00 0.71 H new ATOM 0 HA GLU A 91 5.305 -19.612 -1.052 1.00 0.70 H new ATOM 0 HB2 GLU A 91 4.752 -22.564 -0.567 1.00 0.73 H new ATOM 0 HB3 GLU A 91 6.198 -21.969 -1.358 1.00 0.73 H new ATOM 0 HG2 GLU A 91 5.312 -21.450 1.491 1.00 1.30 H new ATOM 0 HG3 GLU A 91 6.710 -22.363 0.959 1.00 1.30 H new ATOM 1544 N GLU A 92 3.184 -21.390 -2.837 1.00 0.66 N ATOM 1545 CA GLU A 92 2.670 -21.572 -4.183 1.00 0.65 C ATOM 1546 C GLU A 92 2.280 -20.241 -4.780 1.00 0.60 C ATOM 1547 O GLU A 92 2.472 -20.000 -5.963 1.00 0.57 O ATOM 1548 CB GLU A 92 1.446 -22.467 -4.136 1.00 0.69 C ATOM 1549 CG GLU A 92 1.692 -23.797 -3.470 1.00 0.74 C ATOM 1550 CD GLU A 92 2.545 -24.723 -4.308 1.00 1.06 C ATOM 1551 OE1 GLU A 92 3.787 -24.625 -4.238 1.00 1.45 O ATOM 1552 OE2 GLU A 92 1.975 -25.555 -5.046 1.00 1.10 O ATOM 0 H GLU A 92 2.636 -21.863 -2.118 1.00 0.66 H new ATOM 0 HA GLU A 92 3.447 -22.027 -4.797 1.00 0.65 H new ATOM 0 HB2 GLU A 92 0.647 -21.948 -3.606 1.00 0.69 H new ATOM 0 HB3 GLU A 92 1.094 -22.640 -5.153 1.00 0.69 H new ATOM 0 HG2 GLU A 92 2.179 -23.632 -2.509 1.00 0.74 H new ATOM 0 HG3 GLU A 92 0.736 -24.278 -3.265 1.00 0.74 H new ATOM 1559 N LEU A 93 1.747 -19.371 -3.942 1.00 0.61 N ATOM 1560 CA LEU A 93 1.538 -17.998 -4.361 1.00 0.60 C ATOM 1561 C LEU A 93 2.896 -17.335 -4.426 1.00 0.61 C ATOM 1562 O LEU A 93 3.190 -16.707 -5.421 1.00 0.64 O ATOM 1563 CB LEU A 93 0.520 -17.291 -3.474 1.00 0.64 C ATOM 1564 CG LEU A 93 -0.892 -17.886 -3.607 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -1.920 -17.056 -2.876 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -1.280 -18.029 -5.071 1.00 1.07 C ATOM 0 H LEU A 93 1.456 -19.584 -2.988 1.00 0.61 H new ATOM 0 HA LEU A 93 1.090 -17.945 -5.353 1.00 0.60 H new ATOM 0 HB2 LEU A 93 0.842 -17.356 -2.435 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.491 -16.233 -3.733 1.00 0.64 H new ATOM 0 HG LEU A 93 -0.871 -18.874 -3.148 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -2.904 -17.509 -2.994 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -1.666 -17.012 -1.817 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -1.933 -16.047 -3.289 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -2.282 -18.452 -5.142 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -1.265 -17.049 -5.549 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.572 -18.689 -5.572 1.00 1.07 H new ATOM 1578 N LYS A 94 3.774 -17.511 -3.466 1.00 0.61 N ATOM 1579 CA LYS A 94 4.980 -16.697 -3.424 1.00 0.61 C ATOM 1580 C LYS A 94 5.874 -17.020 -4.597 1.00 0.66 C ATOM 1581 O LYS A 94 6.397 -16.135 -5.269 1.00 0.72 O ATOM 1582 CB LYS A 94 5.730 -16.924 -2.118 1.00 0.64 C ATOM 1583 CG LYS A 94 6.973 -16.071 -1.954 1.00 0.69 C ATOM 1584 CD LYS A 94 7.750 -16.482 -0.717 1.00 1.16 C ATOM 1585 CE LYS A 94 6.954 -16.234 0.552 1.00 1.38 C ATOM 1586 NZ LYS A 94 7.583 -16.868 1.739 1.00 2.06 N ATOM 0 H LYS A 94 3.685 -18.195 -2.714 1.00 0.61 H new ATOM 0 HA LYS A 94 4.689 -15.648 -3.483 1.00 0.61 H new ATOM 0 HB2 LYS A 94 5.055 -16.725 -1.286 1.00 0.64 H new ATOM 0 HB3 LYS A 94 6.014 -17.974 -2.054 1.00 0.64 H new ATOM 0 HG2 LYS A 94 7.606 -16.170 -2.836 1.00 0.69 H new ATOM 0 HG3 LYS A 94 6.691 -15.021 -1.880 1.00 0.69 H new ATOM 0 HD2 LYS A 94 8.009 -17.539 -0.784 1.00 1.16 H new ATOM 0 HD3 LYS A 94 8.687 -15.926 -0.674 1.00 1.16 H new ATOM 0 HE2 LYS A 94 6.865 -15.161 0.719 1.00 1.38 H new ATOM 0 HE3 LYS A 94 5.943 -16.622 0.427 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 7.065 -16.590 2.597 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 7.553 -17.903 1.637 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 8.572 -16.556 1.816 1.00 2.06 H new ATOM 1600 N ALA A 95 6.008 -18.292 -4.862 1.00 0.67 N ATOM 1601 CA ALA A 95 6.894 -18.748 -5.891 1.00 0.73 C ATOM 1602 C ALA A 95 6.289 -18.548 -7.268 1.00 0.73 C ATOM 1603 O ALA A 95 6.916 -17.954 -8.147 1.00 0.93 O ATOM 1604 CB ALA A 95 7.253 -20.207 -5.665 1.00 0.77 C ATOM 0 H ALA A 95 5.508 -19.034 -4.373 1.00 0.67 H new ATOM 0 HA ALA A 95 7.806 -18.153 -5.844 1.00 0.73 H new ATOM 0 HB1 ALA A 95 7.927 -20.542 -6.453 1.00 0.77 H new ATOM 0 HB2 ALA A 95 7.744 -20.315 -4.698 1.00 0.77 H new ATOM 0 HB3 ALA A 95 6.346 -20.812 -5.681 1.00 0.77 H new ATOM 1610 N LYS A 96 5.072 -19.057 -7.466 1.00 0.70 N ATOM 1611 CA LYS A 96 4.416 -18.953 -8.766 1.00 0.76 C ATOM 1612 C LYS A 96 4.195 -17.499 -9.207 1.00 0.58 C ATOM 1613 O LYS A 96 4.060 -17.208 -10.397 1.00 0.55 O ATOM 1614 CB LYS A 96 3.082 -19.690 -8.757 1.00 1.02 C ATOM 1615 CG LYS A 96 3.143 -21.073 -9.378 1.00 1.75 C ATOM 1616 CD LYS A 96 4.269 -21.900 -8.785 1.00 2.07 C ATOM 1617 CE LYS A 96 4.367 -23.264 -9.442 1.00 2.92 C ATOM 1618 NZ LYS A 96 3.139 -24.077 -9.235 1.00 3.11 N ATOM 0 H LYS A 96 4.528 -19.539 -6.751 1.00 0.70 H new ATOM 0 HA LYS A 96 5.090 -19.417 -9.486 1.00 0.76 H new ATOM 0 HB2 LYS A 96 2.733 -19.779 -7.728 1.00 1.02 H new ATOM 0 HB3 LYS A 96 2.344 -19.093 -9.293 1.00 1.02 H new ATOM 0 HG2 LYS A 96 2.193 -21.585 -9.223 1.00 1.75 H new ATOM 0 HG3 LYS A 96 3.284 -20.983 -10.455 1.00 1.75 H new ATOM 0 HD2 LYS A 96 5.213 -21.369 -8.905 1.00 2.07 H new ATOM 0 HD3 LYS A 96 4.106 -22.022 -7.714 1.00 2.07 H new ATOM 0 HE2 LYS A 96 4.542 -23.139 -10.511 1.00 2.92 H new ATOM 0 HE3 LYS A 96 5.227 -23.799 -9.039 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 3.312 -25.053 -9.550 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 2.889 -24.078 -8.225 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 2.356 -23.669 -9.785 1.00 3.11 H new ATOM 1632 N VAL A 97 4.188 -16.591 -8.227 1.00 0.62 N ATOM 1633 CA VAL A 97 4.060 -15.164 -8.491 1.00 0.57 C ATOM 1634 C VAL A 97 5.358 -14.610 -9.078 1.00 0.54 C ATOM 1635 O VAL A 97 5.332 -13.739 -9.943 1.00 0.59 O ATOM 1636 CB VAL A 97 3.694 -14.382 -7.208 1.00 0.60 C ATOM 1637 CG1 VAL A 97 3.988 -12.905 -7.357 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.232 -14.585 -6.866 1.00 0.93 C ATOM 0 H VAL A 97 4.270 -16.826 -7.238 1.00 0.62 H new ATOM 0 HA VAL A 97 3.253 -15.036 -9.213 1.00 0.57 H new ATOM 0 HB VAL A 97 4.310 -14.770 -6.397 1.00 0.60 H new ATOM 0 HG11 VAL A 97 3.719 -12.386 -6.437 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.050 -12.764 -7.556 1.00 0.97 H new ATOM 0 HG13 VAL A 97 3.407 -12.500 -8.185 1.00 0.97 H new ATOM 0 HG21 VAL A 97 1.989 -14.029 -5.961 1.00 0.93 H new ATOM 0 HG22 VAL A 97 1.613 -14.227 -7.689 1.00 0.93 H new ATOM 0 HG23 VAL A 97 2.040 -15.645 -6.702 1.00 0.93 H new ATOM 1648 N GLU A 98 6.491 -15.135 -8.626 1.00 0.53 N ATOM 1649 CA GLU A 98 7.789 -14.669 -9.106 1.00 0.57 C ATOM 1650 C GLU A 98 7.994 -15.050 -10.568 1.00 0.52 C ATOM 1651 O GLU A 98 8.752 -14.404 -11.285 1.00 0.53 O ATOM 1652 CB GLU A 98 8.922 -15.224 -8.244 1.00 0.68 C ATOM 1653 CG GLU A 98 8.829 -14.795 -6.789 1.00 0.81 C ATOM 1654 CD GLU A 98 10.049 -15.175 -5.978 1.00 1.31 C ATOM 1655 OE1 GLU A 98 11.015 -14.382 -5.935 1.00 1.65 O ATOM 1656 OE2 GLU A 98 10.058 -16.279 -5.392 1.00 2.03 O ATOM 0 H GLU A 98 6.539 -15.880 -7.931 1.00 0.53 H new ATOM 0 HA GLU A 98 7.804 -13.582 -9.029 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.911 -16.313 -8.297 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.877 -14.895 -8.653 1.00 0.68 H new ATOM 0 HG2 GLU A 98 8.692 -13.715 -6.743 1.00 0.81 H new ATOM 0 HG3 GLU A 98 7.946 -15.248 -6.339 1.00 0.81 H new ATOM 1663 N GLU A 99 7.308 -16.095 -11.006 1.00 0.49 N ATOM 1664 CA GLU A 99 7.334 -16.477 -12.413 1.00 0.49 C ATOM 1665 C GLU A 99 6.341 -15.618 -13.178 1.00 0.48 C ATOM 1666 O GLU A 99 6.577 -15.234 -14.324 1.00 0.51 O ATOM 1667 CB GLU A 99 6.986 -17.956 -12.585 1.00 0.52 C ATOM 1668 CG GLU A 99 7.851 -18.897 -11.760 1.00 0.91 C ATOM 1669 CD GLU A 99 9.333 -18.745 -12.041 1.00 1.68 C ATOM 1670 OE1 GLU A 99 9.781 -19.155 -13.135 1.00 1.82 O ATOM 1671 OE2 GLU A 99 10.054 -18.201 -11.182 1.00 2.48 O ATOM 0 H GLU A 99 6.730 -16.691 -10.414 1.00 0.49 H new ATOM 0 HA GLU A 99 8.340 -16.320 -12.803 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.942 -18.107 -12.312 1.00 0.52 H new ATOM 0 HB3 GLU A 99 7.082 -18.221 -13.638 1.00 0.52 H new ATOM 0 HG2 GLU A 99 7.668 -18.714 -10.701 1.00 0.91 H new ATOM 0 HG3 GLU A 99 7.553 -19.926 -11.962 1.00 0.91 H new ATOM 1678 N ALA A 100 5.236 -15.308 -12.515 1.00 0.49 N ATOM 1679 CA ALA A 100 4.210 -14.444 -13.067 1.00 0.55 C ATOM 1680 C ALA A 100 4.762 -13.050 -13.335 1.00 0.54 C ATOM 1681 O ALA A 100 4.714 -12.553 -14.462 1.00 0.58 O ATOM 1682 CB ALA A 100 3.046 -14.374 -12.095 1.00 0.63 C ATOM 0 H ALA A 100 5.028 -15.651 -11.577 1.00 0.49 H new ATOM 0 HA ALA A 100 3.869 -14.855 -14.017 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.270 -13.726 -12.503 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.640 -15.374 -11.941 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.391 -13.972 -11.143 1.00 0.63 H new ATOM 1688 N LEU A 101 5.299 -12.436 -12.289 1.00 0.51 N ATOM 1689 CA LEU A 101 5.864 -11.098 -12.372 1.00 0.53 C ATOM 1690 C LEU A 101 7.168 -11.097 -13.155 1.00 0.51 C ATOM 1691 O LEU A 101 7.745 -10.045 -13.414 1.00 0.53 O ATOM 1692 CB LEU A 101 6.104 -10.535 -10.973 1.00 0.53 C ATOM 1693 CG LEU A 101 4.865 -10.455 -10.084 1.00 0.66 C ATOM 1694 CD1 LEU A 101 5.220 -9.849 -8.739 1.00 1.40 C ATOM 1695 CD2 LEU A 101 3.767 -9.651 -10.762 1.00 1.28 C ATOM 0 H LEU A 101 5.355 -12.852 -11.360 1.00 0.51 H new ATOM 0 HA LEU A 101 5.147 -10.467 -12.897 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.851 -11.152 -10.473 1.00 0.53 H new ATOM 0 HB3 LEU A 101 6.528 -9.536 -11.069 1.00 0.53 H new ATOM 0 HG LEU A 101 4.492 -11.466 -9.920 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.327 -9.798 -8.116 1.00 1.40 H new ATOM 0 HD12 LEU A 101 5.971 -10.468 -8.248 1.00 1.40 H new ATOM 0 HD13 LEU A 101 5.618 -8.845 -8.886 1.00 1.40 H new ATOM 0 HD21 LEU A 101 2.894 -9.607 -10.111 1.00 1.28 H new ATOM 0 HD22 LEU A 101 4.125 -8.640 -10.959 1.00 1.28 H new ATOM 0 HD23 LEU A 101 3.494 -10.129 -11.703 1.00 1.28 H new ATOM 1707 N HIS A 102 7.645 -12.273 -13.513 1.00 0.51 N ATOM 1708 CA HIS A 102 8.790 -12.368 -14.392 1.00 0.53 C ATOM 1709 C HIS A 102 8.290 -12.287 -15.826 1.00 0.56 C ATOM 1710 O HIS A 102 8.816 -11.529 -16.638 1.00 0.57 O ATOM 1711 CB HIS A 102 9.544 -13.671 -14.156 1.00 0.55 C ATOM 1712 CG HIS A 102 10.950 -13.651 -14.658 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.298 -13.941 -15.959 1.00 1.95 N ATOM 1714 CD2 HIS A 102 12.103 -13.371 -14.012 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.607 -13.837 -16.092 1.00 2.48 C ATOM 1716 NE2 HIS A 102 13.118 -13.493 -14.925 1.00 2.14 N ATOM 0 H HIS A 102 7.260 -13.168 -13.211 1.00 0.51 H new ATOM 0 HA HIS A 102 9.484 -11.551 -14.192 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.552 -13.887 -13.088 1.00 0.55 H new ATOM 0 HB3 HIS A 102 9.006 -14.485 -14.642 1.00 0.55 H new ATOM 0 HD2 HIS A 102 12.206 -13.102 -12.971 1.00 1.39 H new ATOM 0 HE1 HIS A 102 13.165 -14.005 -17.001 1.00 2.48 H new ATOM 0 HE2 HIS A 102 14.108 -13.342 -14.733 1.00 2.14 H new ATOM 1725 N ALA A 103 7.260 -13.075 -16.117 1.00 0.58 N ATOM 1726 CA ALA A 103 6.778 -13.285 -17.475 1.00 0.61 C ATOM 1727 C ALA A 103 6.173 -12.030 -18.105 1.00 0.61 C ATOM 1728 O ALA A 103 5.902 -12.016 -19.307 1.00 0.64 O ATOM 1729 CB ALA A 103 5.764 -14.417 -17.464 1.00 0.63 C ATOM 0 H ALA A 103 6.733 -13.589 -15.411 1.00 0.58 H new ATOM 0 HA ALA A 103 7.637 -13.543 -18.094 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.395 -14.585 -18.476 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.238 -15.327 -17.095 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.931 -14.153 -16.813 1.00 0.63 H new ATOM 1735 N VAL A 104 5.948 -10.985 -17.319 1.00 0.60 N ATOM 1736 CA VAL A 104 5.284 -9.806 -17.808 1.00 0.63 C ATOM 1737 C VAL A 104 6.166 -9.033 -18.802 1.00 0.76 C ATOM 1738 O VAL A 104 5.846 -8.959 -19.985 1.00 1.68 O ATOM 1739 CB VAL A 104 4.814 -8.941 -16.619 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.834 -8.955 -15.507 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.510 -7.515 -17.031 1.00 0.51 C ATOM 0 H VAL A 104 6.221 -10.940 -16.337 1.00 0.60 H new ATOM 0 HA VAL A 104 4.398 -10.101 -18.370 1.00 0.63 H new ATOM 0 HB VAL A 104 3.886 -9.383 -16.256 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.480 -8.338 -14.681 1.00 0.60 H new ATOM 0 HG12 VAL A 104 5.980 -9.978 -15.160 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.780 -8.559 -15.876 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.183 -6.946 -16.160 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.407 -7.057 -17.447 1.00 0.51 H new ATOM 0 HG23 VAL A 104 3.720 -7.514 -17.782 1.00 0.51 H new ATOM 1751 N THR A 105 7.241 -8.431 -18.295 1.00 0.77 N ATOM 1752 CA THR A 105 8.292 -7.808 -19.119 1.00 0.79 C ATOM 1753 C THR A 105 7.814 -6.551 -19.841 1.00 0.75 C ATOM 1754 O THR A 105 8.527 -6.005 -20.679 1.00 0.95 O ATOM 1755 CB THR A 105 8.935 -8.791 -20.140 1.00 0.94 C ATOM 1756 OG1 THR A 105 8.038 -9.091 -21.218 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.344 -10.082 -19.454 1.00 1.03 C ATOM 0 H THR A 105 7.414 -8.358 -17.292 1.00 0.77 H new ATOM 0 HA THR A 105 9.062 -7.518 -18.404 1.00 0.79 H new ATOM 0 HB THR A 105 9.818 -8.300 -20.549 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.132 -8.805 -20.979 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.791 -10.756 -20.184 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.069 -9.864 -18.670 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.466 -10.555 -19.014 1.00 1.03 H new ATOM 1765 N ASP A 106 6.623 -6.080 -19.508 1.00 0.77 N ATOM 1766 CA ASP A 106 6.185 -4.771 -19.959 1.00 0.79 C ATOM 1767 C ASP A 106 6.688 -3.711 -18.994 1.00 0.73 C ATOM 1768 O ASP A 106 6.515 -3.828 -17.779 1.00 0.72 O ATOM 1769 CB ASP A 106 4.660 -4.718 -20.060 1.00 0.79 C ATOM 1770 CG ASP A 106 4.167 -3.406 -20.632 1.00 1.35 C ATOM 1771 OD1 ASP A 106 4.461 -3.118 -21.807 1.00 1.38 O ATOM 1772 OD2 ASP A 106 3.496 -2.651 -19.902 1.00 2.07 O ATOM 0 H ASP A 106 5.947 -6.581 -18.931 1.00 0.77 H new ATOM 0 HA ASP A 106 6.596 -4.581 -20.951 1.00 0.79 H new ATOM 0 HB2 ASP A 106 4.311 -5.539 -20.686 1.00 0.79 H new ATOM 0 HB3 ASP A 106 4.227 -4.866 -19.071 1.00 0.79 H new ATOM 1777 N GLU A 107 7.334 -2.696 -19.550 1.00 0.71 N ATOM 1778 CA GLU A 107 8.169 -1.781 -18.779 1.00 0.69 C ATOM 1779 C GLU A 107 7.424 -1.097 -17.639 1.00 0.66 C ATOM 1780 O GLU A 107 7.839 -1.177 -16.482 1.00 0.63 O ATOM 1781 CB GLU A 107 8.784 -0.724 -19.691 1.00 0.73 C ATOM 1782 CG GLU A 107 9.633 -1.304 -20.809 1.00 1.63 C ATOM 1783 CD GLU A 107 10.338 -0.231 -21.609 1.00 2.35 C ATOM 1784 OE1 GLU A 107 9.694 0.396 -22.475 1.00 3.18 O ATOM 1785 OE2 GLU A 107 11.546 -0.006 -21.370 1.00 2.65 O ATOM 0 H GLU A 107 7.295 -2.482 -20.547 1.00 0.71 H new ATOM 0 HA GLU A 107 8.951 -2.393 -18.329 1.00 0.69 H new ATOM 0 HB2 GLU A 107 7.986 -0.123 -20.127 1.00 0.73 H new ATOM 0 HB3 GLU A 107 9.398 -0.052 -19.092 1.00 0.73 H new ATOM 0 HG2 GLU A 107 10.373 -1.984 -20.386 1.00 1.63 H new ATOM 0 HG3 GLU A 107 9.002 -1.894 -21.473 1.00 1.63 H new ATOM 1792 N GLU A 108 6.323 -0.436 -17.974 1.00 0.67 N ATOM 1793 CA GLU A 108 5.517 0.278 -16.988 1.00 0.66 C ATOM 1794 C GLU A 108 5.025 -0.676 -15.907 1.00 0.58 C ATOM 1795 O GLU A 108 4.988 -0.333 -14.727 1.00 0.54 O ATOM 1796 CB GLU A 108 4.313 0.959 -17.656 1.00 0.76 C ATOM 1797 CG GLU A 108 4.669 2.117 -18.586 1.00 1.46 C ATOM 1798 CD GLU A 108 5.499 1.691 -19.783 1.00 2.09 C ATOM 1799 OE1 GLU A 108 4.947 1.034 -20.691 1.00 2.78 O ATOM 1800 OE2 GLU A 108 6.700 2.026 -19.830 1.00 2.40 O ATOM 0 H GLU A 108 5.965 -0.379 -18.927 1.00 0.67 H new ATOM 0 HA GLU A 108 6.147 1.042 -16.533 1.00 0.66 H new ATOM 0 HB2 GLU A 108 3.759 0.212 -18.224 1.00 0.76 H new ATOM 0 HB3 GLU A 108 3.644 1.328 -16.878 1.00 0.76 H new ATOM 0 HG2 GLU A 108 3.751 2.587 -18.938 1.00 1.46 H new ATOM 0 HG3 GLU A 108 5.217 2.872 -18.022 1.00 1.46 H new ATOM 1807 N LYS A 109 4.642 -1.874 -16.322 1.00 0.59 N ATOM 1808 CA LYS A 109 4.177 -2.908 -15.408 1.00 0.55 C ATOM 1809 C LYS A 109 5.269 -3.290 -14.413 1.00 0.51 C ATOM 1810 O LYS A 109 5.024 -3.388 -13.210 1.00 0.48 O ATOM 1811 CB LYS A 109 3.728 -4.138 -16.196 1.00 0.58 C ATOM 1812 CG LYS A 109 2.303 -4.061 -16.735 1.00 0.65 C ATOM 1813 CD LYS A 109 1.972 -2.700 -17.324 1.00 1.22 C ATOM 1814 CE LYS A 109 0.696 -2.739 -18.145 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.866 -3.535 -19.388 1.00 1.81 N ATOM 0 H LYS A 109 4.645 -2.157 -17.302 1.00 0.59 H new ATOM 0 HA LYS A 109 3.330 -2.514 -14.847 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.411 -4.287 -17.032 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.813 -5.015 -15.555 1.00 0.58 H new ATOM 0 HG2 LYS A 109 2.166 -4.826 -17.499 1.00 0.65 H new ATOM 0 HG3 LYS A 109 1.602 -4.285 -15.931 1.00 0.65 H new ATOM 0 HD2 LYS A 109 1.865 -1.972 -16.520 1.00 1.22 H new ATOM 0 HD3 LYS A 109 2.798 -2.364 -17.951 1.00 1.22 H new ATOM 0 HE2 LYS A 109 -0.109 -3.166 -17.547 1.00 1.11 H new ATOM 0 HE3 LYS A 109 0.397 -1.723 -18.402 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 0.148 -3.250 -20.084 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 1.814 -3.367 -19.781 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 0.755 -4.546 -19.171 1.00 1.81 H new ATOM 1829 N LYS A 110 6.483 -3.481 -14.911 1.00 0.53 N ATOM 1830 CA LYS A 110 7.602 -3.871 -14.059 1.00 0.53 C ATOM 1831 C LYS A 110 8.116 -2.698 -13.232 1.00 0.51 C ATOM 1832 O LYS A 110 8.884 -2.877 -12.285 1.00 0.51 O ATOM 1833 CB LYS A 110 8.762 -4.429 -14.881 1.00 0.56 C ATOM 1834 CG LYS A 110 8.424 -5.656 -15.703 1.00 0.62 C ATOM 1835 CD LYS A 110 9.678 -6.416 -16.120 1.00 0.80 C ATOM 1836 CE LYS A 110 10.547 -5.630 -17.099 1.00 0.81 C ATOM 1837 NZ LYS A 110 11.417 -4.625 -16.423 1.00 1.14 N ATOM 0 H LYS A 110 6.719 -3.373 -15.897 1.00 0.53 H new ATOM 0 HA LYS A 110 7.222 -4.644 -13.391 1.00 0.53 H new ATOM 0 HB2 LYS A 110 9.123 -3.648 -15.550 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.582 -4.675 -14.206 1.00 0.56 H new ATOM 0 HG2 LYS A 110 7.775 -6.314 -15.125 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.867 -5.357 -16.591 1.00 0.62 H new ATOM 0 HD2 LYS A 110 10.264 -6.656 -15.233 1.00 0.80 H new ATOM 0 HD3 LYS A 110 9.389 -7.363 -16.577 1.00 0.80 H new ATOM 0 HE2 LYS A 110 11.171 -6.324 -17.661 1.00 0.81 H new ATOM 0 HE3 LYS A 110 9.906 -5.122 -17.820 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 11.069 -3.668 -16.632 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 11.397 -4.784 -15.395 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 12.393 -4.722 -16.769 1.00 1.14 H new ATOM 1851 N GLN A 111 7.667 -1.505 -13.591 1.00 0.51 N ATOM 1852 CA GLN A 111 7.894 -0.332 -12.751 1.00 0.51 C ATOM 1853 C GLN A 111 7.131 -0.490 -11.445 1.00 0.50 C ATOM 1854 O GLN A 111 7.640 -0.170 -10.379 1.00 0.51 O ATOM 1855 CB GLN A 111 7.471 0.953 -13.463 1.00 0.52 C ATOM 1856 CG GLN A 111 8.406 1.361 -14.590 1.00 1.08 C ATOM 1857 CD GLN A 111 9.840 1.592 -14.134 1.00 1.23 C ATOM 1858 OE1 GLN A 111 10.780 1.352 -14.892 1.00 1.69 O ATOM 1859 NE2 GLN A 111 10.022 2.085 -12.917 1.00 1.61 N ATOM 0 H GLN A 111 7.148 -1.321 -14.449 1.00 0.51 H new ATOM 0 HA GLN A 111 8.961 -0.256 -12.543 1.00 0.51 H new ATOM 0 HB2 GLN A 111 6.466 0.822 -13.865 1.00 0.52 H new ATOM 0 HB3 GLN A 111 7.419 1.762 -12.734 1.00 0.52 H new ATOM 0 HG2 GLN A 111 8.397 0.587 -15.357 1.00 1.08 H new ATOM 0 HG3 GLN A 111 8.029 2.273 -15.053 1.00 1.08 H new ATOM 0 HE21 GLN A 111 9.219 2.271 -12.317 1.00 1.61 H new ATOM 0 HE22 GLN A 111 10.965 2.278 -12.581 1.00 1.61 H new ATOM 1868 N TYR A 112 5.926 -1.035 -11.530 1.00 0.50 N ATOM 1869 CA TYR A 112 5.127 -1.296 -10.340 1.00 0.49 C ATOM 1870 C TYR A 112 5.664 -2.526 -9.626 1.00 0.49 C ATOM 1871 O TYR A 112 5.531 -2.664 -8.420 1.00 0.50 O ATOM 1872 CB TYR A 112 3.660 -1.513 -10.696 1.00 0.49 C ATOM 1873 CG TYR A 112 2.998 -0.324 -11.354 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.947 0.912 -10.721 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.419 -0.442 -12.606 1.00 0.66 C ATOM 1876 CE1 TYR A 112 2.337 1.996 -11.325 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.808 0.631 -13.217 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.770 1.851 -12.574 1.00 0.80 C ATOM 1879 OH TYR A 112 1.163 2.929 -13.180 1.00 0.92 O ATOM 0 H TYR A 112 5.481 -1.305 -12.407 1.00 0.50 H new ATOM 0 HA TYR A 112 5.195 -0.426 -9.686 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.583 -2.372 -11.363 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.111 -1.764 -9.788 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.390 1.028 -9.743 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.447 -1.395 -13.114 1.00 0.66 H new ATOM 0 HE1 TYR A 112 2.305 2.951 -10.822 1.00 0.82 H new ATOM 0 HE2 TYR A 112 1.361 0.518 -14.194 1.00 0.75 H new ATOM 0 HH TYR A 112 0.815 2.659 -14.056 1.00 0.92 H new ATOM 1889 N ILE A 113 6.271 -3.426 -10.385 1.00 0.49 N ATOM 1890 CA ILE A 113 6.879 -4.608 -9.798 1.00 0.51 C ATOM 1891 C ILE A 113 8.111 -4.234 -8.960 1.00 0.53 C ATOM 1892 O ILE A 113 8.324 -4.778 -7.878 1.00 0.54 O ATOM 1893 CB ILE A 113 7.248 -5.637 -10.879 1.00 0.57 C ATOM 1894 CG1 ILE A 113 5.969 -6.126 -11.559 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.023 -6.804 -10.280 1.00 0.59 C ATOM 1896 CD1 ILE A 113 6.209 -7.126 -12.658 1.00 0.72 C ATOM 0 H ILE A 113 6.355 -3.361 -11.399 1.00 0.49 H new ATOM 0 HA ILE A 113 6.144 -5.065 -9.136 1.00 0.51 H new ATOM 0 HB ILE A 113 7.893 -5.164 -11.619 1.00 0.57 H new ATOM 0 HG12 ILE A 113 5.318 -6.574 -10.808 1.00 0.63 H new ATOM 0 HG13 ILE A 113 5.437 -5.268 -11.971 1.00 0.63 H new ATOM 0 HG21 ILE A 113 8.272 -7.517 -11.066 1.00 0.59 H new ATOM 0 HG22 ILE A 113 8.940 -6.435 -9.822 1.00 0.59 H new ATOM 0 HG23 ILE A 113 7.412 -7.296 -9.523 1.00 0.59 H new ATOM 0 HD11 ILE A 113 5.255 -7.426 -13.092 1.00 0.72 H new ATOM 0 HD12 ILE A 113 6.833 -6.676 -13.430 1.00 0.72 H new ATOM 0 HD13 ILE A 113 6.713 -8.002 -12.249 1.00 0.72 H new ATOM 1908 N ALA A 114 8.911 -3.295 -9.461 1.00 0.56 N ATOM 1909 CA ALA A 114 10.056 -2.774 -8.713 1.00 0.59 C ATOM 1910 C ALA A 114 9.582 -1.859 -7.587 1.00 0.59 C ATOM 1911 O ALA A 114 10.103 -1.913 -6.473 1.00 0.60 O ATOM 1912 CB ALA A 114 10.991 -2.020 -9.647 1.00 0.63 C ATOM 0 H ALA A 114 8.788 -2.878 -10.384 1.00 0.56 H new ATOM 0 HA ALA A 114 10.598 -3.612 -8.274 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.840 -1.636 -9.081 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.349 -2.694 -10.425 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.455 -1.189 -10.105 1.00 0.63 H new ATOM 1918 N ASP A 115 8.596 -1.031 -7.877 1.00 0.61 N ATOM 1919 CA ASP A 115 8.118 -0.063 -6.892 1.00 0.66 C ATOM 1920 C ASP A 115 7.258 -0.718 -5.826 1.00 0.60 C ATOM 1921 O ASP A 115 7.574 -0.672 -4.638 1.00 0.59 O ATOM 1922 CB ASP A 115 7.342 1.075 -7.562 1.00 0.77 C ATOM 1923 CG ASP A 115 8.240 2.224 -7.976 1.00 1.03 C ATOM 1924 OD1 ASP A 115 8.602 3.039 -7.103 1.00 1.20 O ATOM 1925 OD2 ASP A 115 8.598 2.320 -9.169 1.00 1.73 O ATOM 0 H ASP A 115 8.111 -1.004 -8.774 1.00 0.61 H new ATOM 0 HA ASP A 115 9.001 0.352 -6.407 1.00 0.66 H new ATOM 0 HB2 ASP A 115 6.823 0.689 -8.439 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.579 1.443 -6.876 1.00 0.77 H new ATOM 1930 N PHE A 116 6.203 -1.368 -6.256 1.00 0.60 N ATOM 1931 CA PHE A 116 5.203 -1.861 -5.329 1.00 0.60 C ATOM 1932 C PHE A 116 5.442 -3.320 -4.976 1.00 0.56 C ATOM 1933 O PHE A 116 5.048 -3.753 -3.905 1.00 0.55 O ATOM 1934 CB PHE A 116 3.801 -1.677 -5.907 1.00 0.68 C ATOM 1935 CG PHE A 116 2.853 -0.977 -4.986 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.148 -1.696 -4.038 1.00 1.01 C ATOM 1937 CD2 PHE A 116 2.668 0.392 -5.065 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.272 -1.058 -3.181 1.00 1.29 C ATOM 1939 CE2 PHE A 116 1.797 1.036 -4.213 1.00 1.62 C ATOM 1940 CZ PHE A 116 1.090 0.330 -3.288 1.00 1.52 C ATOM 0 H PHE A 116 6.012 -1.569 -7.238 1.00 0.60 H new ATOM 0 HA PHE A 116 5.286 -1.278 -4.412 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.873 -1.112 -6.836 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.391 -2.655 -6.159 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.283 -2.765 -3.967 1.00 1.01 H new ATOM 0 HD2 PHE A 116 3.212 0.962 -5.803 1.00 1.11 H new ATOM 0 HE1 PHE A 116 0.732 -1.622 -2.435 1.00 1.29 H new ATOM 0 HE2 PHE A 116 1.674 2.107 -4.279 1.00 1.62 H new ATOM 0 HZ PHE A 116 0.391 0.836 -2.638 1.00 1.52 H new ATOM 1950 N GLY A 117 6.108 -4.055 -5.857 1.00 0.55 N ATOM 1951 CA GLY A 117 6.299 -5.493 -5.660 1.00 0.56 C ATOM 1952 C GLY A 117 6.815 -5.872 -4.270 1.00 0.54 C ATOM 1953 O GLY A 117 6.103 -6.530 -3.506 1.00 0.55 O ATOM 0 H GLY A 117 6.524 -3.685 -6.712 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.351 -6.001 -5.834 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.001 -5.861 -6.409 1.00 0.56 H new ATOM 1957 N PRO A 118 8.046 -5.467 -3.904 1.00 0.52 N ATOM 1958 CA PRO A 118 8.653 -5.829 -2.610 1.00 0.53 C ATOM 1959 C PRO A 118 7.784 -5.447 -1.412 1.00 0.46 C ATOM 1960 O PRO A 118 7.538 -6.260 -0.525 1.00 0.45 O ATOM 1961 CB PRO A 118 9.953 -5.025 -2.592 1.00 0.54 C ATOM 1962 CG PRO A 118 10.274 -4.795 -4.024 1.00 0.65 C ATOM 1963 CD PRO A 118 8.953 -4.640 -4.721 1.00 0.53 C ATOM 0 HA PRO A 118 8.790 -6.907 -2.523 1.00 0.53 H new ATOM 0 HB2 PRO A 118 9.829 -4.083 -2.058 1.00 0.54 H new ATOM 0 HB3 PRO A 118 10.751 -5.573 -2.090 1.00 0.54 H new ATOM 0 HG2 PRO A 118 10.888 -3.903 -4.148 1.00 0.65 H new ATOM 0 HG3 PRO A 118 10.838 -5.631 -4.437 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.632 -3.599 -4.751 1.00 0.53 H new ATOM 0 HD3 PRO A 118 8.998 -4.989 -5.753 1.00 0.53 H new ATOM 1971 N ALA A 119 7.319 -4.210 -1.396 1.00 0.46 N ATOM 1972 CA ALA A 119 6.474 -3.716 -0.315 1.00 0.42 C ATOM 1973 C ALA A 119 5.114 -4.411 -0.307 1.00 0.44 C ATOM 1974 O ALA A 119 4.522 -4.632 0.745 1.00 0.43 O ATOM 1975 CB ALA A 119 6.288 -2.212 -0.455 1.00 0.41 C ATOM 0 H ALA A 119 7.513 -3.522 -2.124 1.00 0.46 H new ATOM 0 HA ALA A 119 6.969 -3.938 0.631 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.656 -1.847 0.354 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.259 -1.719 -0.408 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.815 -1.991 -1.412 1.00 0.41 H new ATOM 1981 N CYS A 120 4.646 -4.779 -1.491 1.00 0.47 N ATOM 1982 CA CYS A 120 3.434 -5.576 -1.639 1.00 0.50 C ATOM 1983 C CYS A 120 3.596 -6.935 -0.970 1.00 0.52 C ATOM 1984 O CYS A 120 2.625 -7.527 -0.512 1.00 0.53 O ATOM 1985 CB CYS A 120 3.098 -5.768 -3.119 1.00 0.56 C ATOM 1986 SG CYS A 120 1.617 -6.782 -3.433 1.00 1.17 S ATOM 0 H CYS A 120 5.093 -4.535 -2.375 1.00 0.47 H new ATOM 0 HA CYS A 120 2.618 -5.041 -1.154 1.00 0.50 H new ATOM 0 HB2 CYS A 120 2.956 -4.789 -3.576 1.00 0.56 H new ATOM 0 HB3 CYS A 120 3.951 -6.231 -3.615 1.00 0.56 H new ATOM 1991 N LYS A 121 4.827 -7.429 -0.913 1.00 0.54 N ATOM 1992 CA LYS A 121 5.103 -8.713 -0.277 1.00 0.58 C ATOM 1993 C LYS A 121 4.755 -8.706 1.211 1.00 0.59 C ATOM 1994 O LYS A 121 4.164 -9.661 1.708 1.00 0.65 O ATOM 1995 CB LYS A 121 6.559 -9.129 -0.496 1.00 0.63 C ATOM 1996 CG LYS A 121 6.744 -10.108 -1.648 1.00 1.01 C ATOM 1997 CD LYS A 121 6.063 -9.622 -2.916 1.00 1.04 C ATOM 1998 CE LYS A 121 6.241 -10.607 -4.057 1.00 1.37 C ATOM 1999 NZ LYS A 121 7.676 -10.839 -4.380 1.00 1.47 N ATOM 0 H LYS A 121 5.648 -6.962 -1.298 1.00 0.54 H new ATOM 0 HA LYS A 121 4.458 -9.452 -0.753 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.158 -8.239 -0.686 1.00 0.63 H new ATOM 0 HB3 LYS A 121 6.941 -9.581 0.419 1.00 0.63 H new ATOM 0 HG2 LYS A 121 7.808 -10.249 -1.838 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.339 -11.080 -1.367 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.000 -9.473 -2.725 1.00 1.04 H new ATOM 0 HD3 LYS A 121 6.474 -8.654 -3.203 1.00 1.04 H new ATOM 0 HE2 LYS A 121 5.772 -11.555 -3.793 1.00 1.37 H new ATOM 0 HE3 LYS A 121 5.727 -10.232 -4.942 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 7.750 -11.350 -5.283 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 8.166 -9.925 -4.458 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 8.115 -11.404 -3.625 1.00 1.47 H new ATOM 2013 N LYS A 122 5.137 -7.645 1.927 1.00 0.54 N ATOM 2014 CA LYS A 122 4.720 -7.511 3.325 1.00 0.55 C ATOM 2015 C LYS A 122 3.217 -7.228 3.370 1.00 0.53 C ATOM 2016 O LYS A 122 2.545 -7.578 4.336 1.00 0.57 O ATOM 2017 CB LYS A 122 5.530 -6.441 4.066 1.00 0.52 C ATOM 2018 CG LYS A 122 5.264 -5.007 3.644 1.00 0.46 C ATOM 2019 CD LYS A 122 6.225 -4.052 4.336 1.00 0.47 C ATOM 2020 CE LYS A 122 6.089 -4.122 5.849 1.00 1.15 C ATOM 2021 NZ LYS A 122 7.200 -3.427 6.544 1.00 1.50 N ATOM 0 H LYS A 122 5.719 -6.885 1.574 1.00 0.54 H new ATOM 0 HA LYS A 122 4.920 -8.447 3.847 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.326 -6.531 5.133 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.590 -6.651 3.925 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.370 -4.916 2.563 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.237 -4.736 3.888 1.00 0.46 H new ATOM 0 HD2 LYS A 122 7.249 -4.294 4.050 1.00 0.47 H new ATOM 0 HD3 LYS A 122 6.033 -3.033 3.999 1.00 0.47 H new ATOM 0 HE2 LYS A 122 5.140 -3.676 6.148 1.00 1.15 H new ATOM 0 HE3 LYS A 122 6.063 -5.166 6.162 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 7.066 -3.500 7.573 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 8.104 -3.868 6.280 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 7.210 -2.425 6.267 1.00 1.50 H new ATOM 2035 N ILE A 123 2.702 -6.561 2.346 1.00 0.49 N ATOM 2036 CA ILE A 123 1.284 -6.243 2.287 1.00 0.48 C ATOM 2037 C ILE A 123 0.422 -7.505 2.197 1.00 0.51 C ATOM 2038 O ILE A 123 -0.552 -7.706 2.920 1.00 0.54 O ATOM 2039 CB ILE A 123 0.963 -5.312 1.110 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.600 -3.946 1.351 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.542 -5.181 0.931 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.340 -2.957 0.248 1.00 0.44 C ATOM 0 H ILE A 123 3.244 -6.231 1.548 1.00 0.49 H new ATOM 0 HA ILE A 123 1.044 -5.727 3.216 1.00 0.48 H new ATOM 0 HB ILE A 123 1.375 -5.737 0.194 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.223 -3.539 2.289 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.676 -4.072 1.468 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.752 -4.517 0.092 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.972 -6.163 0.733 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.982 -4.769 1.839 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.823 -2.010 0.488 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.742 -3.343 -0.689 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.266 -2.801 0.145 1.00 0.44 H new ATOM 2054 N TYR A 124 0.874 -8.358 1.289 1.00 0.52 N ATOM 2055 CA TYR A 124 0.377 -9.709 1.052 1.00 0.58 C ATOM 2056 C TYR A 124 0.928 -10.684 2.089 1.00 0.64 C ATOM 2057 O TYR A 124 0.832 -11.893 1.892 1.00 0.82 O ATOM 2058 CB TYR A 124 0.757 -10.177 -0.355 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.202 -9.732 -1.437 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.846 -8.507 -1.341 1.00 1.14 C ATOM 2061 CD2 TYR A 124 -0.462 -10.523 -2.548 1.00 0.95 C ATOM 2062 CE1 TYR A 124 -1.721 -8.083 -2.319 1.00 1.28 C ATOM 2063 CE2 TYR A 124 -1.332 -10.104 -3.536 1.00 1.05 C ATOM 2064 CZ TYR A 124 -1.972 -8.942 -3.428 1.00 0.95 C ATOM 2065 OH TYR A 124 -2.819 -8.451 -4.398 1.00 1.17 O ATOM 0 H TYR A 124 1.640 -8.114 0.662 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.709 -9.688 1.140 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.753 -9.805 -0.593 1.00 0.59 H new ATOM 0 HB3 TYR A 124 0.814 -11.266 -0.361 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -0.659 -7.875 -0.486 1.00 1.14 H new ATOM 0 HD2 TYR A 124 0.024 -11.483 -2.642 1.00 0.95 H new ATOM 0 HE1 TYR A 124 -2.206 -7.121 -2.246 1.00 1.28 H new ATOM 0 HE2 TYR A 124 -1.494 -10.725 -4.404 1.00 1.05 H new ATOM 0 HH TYR A 124 -2.921 -9.116 -5.110 1.00 1.17 H new ATOM 2075 N GLY A 125 1.323 -10.133 3.243 1.00 0.73 N ATOM 2076 CA GLY A 125 2.433 -10.571 4.124 1.00 0.86 C ATOM 2077 C GLY A 125 3.062 -11.948 3.907 1.00 0.71 C ATOM 2078 O GLY A 125 3.505 -12.590 4.861 1.00 0.78 O ATOM 0 H GLY A 125 0.848 -9.312 3.619 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.229 -9.831 4.041 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.070 -10.535 5.151 1.00 0.86 H new ATOM 2082 N VAL A 126 3.085 -12.403 2.669 1.00 0.71 N ATOM 2083 CA VAL A 126 3.881 -13.558 2.262 1.00 0.84 C ATOM 2084 C VAL A 126 5.356 -13.347 2.609 1.00 0.99 C ATOM 2085 O VAL A 126 6.119 -14.302 2.728 1.00 1.53 O ATOM 2086 CB VAL A 126 3.763 -13.832 0.742 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.372 -14.328 0.387 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.105 -12.583 -0.064 1.00 0.98 C ATOM 0 H VAL A 126 2.551 -11.983 1.908 1.00 0.71 H new ATOM 0 HA VAL A 126 3.489 -14.417 2.806 1.00 0.84 H new ATOM 0 HB VAL A 126 4.480 -14.612 0.487 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.314 -14.513 -0.686 1.00 1.38 H new ATOM 0 HG12 VAL A 126 2.167 -15.253 0.926 1.00 1.38 H new ATOM 0 HG13 VAL A 126 1.635 -13.575 0.665 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.015 -12.801 -1.128 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.418 -11.779 0.201 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.127 -12.275 0.158 1.00 0.98 H new ATOM 2098 N HIS A 127 5.752 -12.085 2.755 1.00 1.01 N ATOM 2099 CA HIS A 127 7.109 -11.747 3.169 1.00 1.16 C ATOM 2100 C HIS A 127 7.369 -12.305 4.562 1.00 1.46 C ATOM 2101 O HIS A 127 6.621 -12.019 5.497 1.00 2.24 O ATOM 2102 CB HIS A 127 7.290 -10.224 3.174 1.00 1.47 C ATOM 2103 CG HIS A 127 8.713 -9.770 3.319 1.00 1.86 C ATOM 2104 ND1 HIS A 127 9.246 -9.322 4.509 1.00 2.31 N ATOM 2105 CD2 HIS A 127 9.709 -9.673 2.407 1.00 2.47 C ATOM 2106 CE1 HIS A 127 10.506 -8.973 4.322 1.00 2.66 C ATOM 2107 NE2 HIS A 127 10.812 -9.175 3.054 1.00 2.77 N ATOM 0 H HIS A 127 5.150 -11.278 2.592 1.00 1.01 H new ATOM 0 HA HIS A 127 7.819 -12.184 2.467 1.00 1.16 H new ATOM 0 HB2 HIS A 127 6.885 -9.819 2.247 1.00 1.47 H new ATOM 0 HB3 HIS A 127 6.702 -9.803 3.990 1.00 1.47 H new ATOM 0 HD2 HIS A 127 9.647 -9.939 1.362 1.00 2.47 H new ATOM 0 HE1 HIS A 127 11.173 -8.587 5.079 1.00 2.66 H new ATOM 0 HE2 HIS A 127 11.719 -8.991 2.625 1.00 2.77 H new ATOM 2116 N THR A 128 8.410 -13.109 4.696 1.00 1.60 N ATOM 2117 CA THR A 128 8.743 -13.713 5.975 1.00 2.21 C ATOM 2118 C THR A 128 9.337 -12.681 6.928 1.00 2.87 C ATOM 2119 O THR A 128 10.539 -12.417 6.913 1.00 3.63 O ATOM 2120 CB THR A 128 9.719 -14.890 5.794 1.00 2.81 C ATOM 2121 OG1 THR A 128 10.704 -14.567 4.802 1.00 3.28 O ATOM 2122 CG2 THR A 128 8.970 -16.151 5.388 1.00 3.47 C ATOM 0 H THR A 128 9.040 -13.359 3.934 1.00 1.60 H new ATOM 0 HA THR A 128 7.819 -14.095 6.409 1.00 2.21 H new ATOM 0 HB THR A 128 10.217 -15.072 6.746 1.00 2.81 H new ATOM 0 HG1 THR A 128 11.130 -13.714 5.029 1.00 3.28 H new ATOM 0 HG21 THR A 128 9.678 -16.971 5.265 1.00 3.47 H new ATOM 0 HG22 THR A 128 8.246 -16.409 6.161 1.00 3.47 H new ATOM 0 HG23 THR A 128 8.449 -15.977 4.447 1.00 3.47 H new ATOM 2130 N SER A 129 8.477 -12.083 7.739 1.00 3.24 N ATOM 2131 CA SER A 129 8.903 -11.097 8.709 1.00 4.34 C ATOM 2132 C SER A 129 9.470 -11.803 9.935 1.00 4.97 C ATOM 2133 O SER A 129 8.670 -12.266 10.777 1.00 5.24 O ATOM 2134 CB SER A 129 7.723 -10.197 9.096 1.00 5.03 C ATOM 2135 OG SER A 129 8.160 -8.999 9.720 1.00 5.11 O ATOM 2136 OXT SER A 129 10.710 -11.914 10.038 1.00 5.56 O ATOM 0 H SER A 129 7.474 -12.268 7.741 1.00 3.24 H new ATOM 0 HA SER A 129 9.681 -10.470 8.274 1.00 4.34 H new ATOM 0 HB2 SER A 129 7.144 -9.953 8.205 1.00 5.03 H new ATOM 0 HB3 SER A 129 7.059 -10.737 9.770 1.00 5.03 H new ATOM 0 HG SER A 129 7.383 -8.449 9.952 1.00 5.11 H new TER 2142 SER A 129