USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1227 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 110 SER OG : rot 108:sc= 0.277 USER MOD Set 1.2: A 124 SER OG : rot 64:sc= 1.09 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.626! C(o=0.2!,f=-2.4!) USER MOD Set 2.2: A 101 TYR OH : rot -132:sc= 0.821 USER MOD Single : A 1 ALA N :NH3+ 148:sc= 0.589 (180deg=-0.485) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00648 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.663 K(o=-0.66,f=-1.6!) USER MOD Single : A 24 ASN : amide:sc= -0.861 X(o=-0.86,f=-0.66) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -33:sc=-0.00312 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -70:sc= -0.159 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 54 LYS NZ :NH3+ -111:sc= 0.495 (180deg=-1.35!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=-0.022) USER MOD Single : A 67 HIS : no HE2:sc= -0.528 X(o=-0.53,f=-0.86) USER MOD Single : A 72 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.67) USER MOD Single : A 74 ASN : amide:sc=-0.00256 X(o=-0.0026,f=-0.0076) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 143:sc= 1.21 (180deg=-1.87) USER MOD Single : A 84 GLN : amide:sc= 0.426 K(o=0.43,f=-2.3!) USER MOD Single : A 89 TYR OH : rot -134:sc= 0.567 USER MOD Single : A 91 SER OG : rot 71:sc= 0.547 USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= 1.18 (180deg=0.791) USER MOD Single : A 97 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.2) USER MOD Single : A 100 ASN : amide:sc= 0.453 X(o=0.45,f=0) USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= 0.693 (180deg=0.399) USER MOD Single : A 103 SER OG : rot 36:sc= 0.119 USER MOD Single : A 111 THR OG1 : rot -83:sc= 0.394 USER MOD Single : A 115 SER OG : rot -139:sc= 1.07 USER MOD Single : A 117 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.2) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.32) USER MOD Single : A 126 ASN : amide:sc= 0.321 X(o=0.32,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 130 THR OG1 : rot 81:sc= 0.8 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -35:sc= 0.731 USER MOD Single : A 142 TYR OH : rot 130:sc= 0 USER MOD Single : A 143 CYS SG : rot 26:sc= 0.541 USER MOD Single : A 146 LYS NZ :NH3+ 176:sc= -0.178 (180deg=-0.192) USER MOD Single : A 147 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0321) USER MOD Single : A 150 MET CE :methyl 179:sc= 0 (180deg=-0.00315) USER MOD Single : A 151 THR OG1 : rot 82:sc= 0.67 USER MOD Single : A 153 LYS NZ :NH3+ -132:sc= 0.652 (180deg=-0.475) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.238 -11.154 9.268 1.00 2.08 N ATOM 2 CA ALA A 1 -12.156 -10.858 8.321 1.00 2.09 C ATOM 3 C ALA A 1 -12.699 -9.919 7.252 1.00 1.86 C ATOM 4 O ALA A 1 -13.917 -9.774 7.159 1.00 2.01 O ATOM 5 CB ALA A 1 -11.616 -12.157 7.716 1.00 2.95 C ATOM 0 H1 ALA A 1 -13.119 -12.117 9.641 1.00 2.08 H new ATOM 0 H2 ALA A 1 -13.208 -10.473 10.053 1.00 2.08 H new ATOM 0 H3 ALA A 1 -14.154 -11.082 8.782 1.00 2.08 H new ATOM 0 HA ALA A 1 -11.323 -10.371 8.829 1.00 2.09 H new ATOM 0 HB1 ALA A 1 -10.814 -11.926 7.015 1.00 2.95 H new ATOM 0 HB2 ALA A 1 -11.231 -12.796 8.511 1.00 2.95 H new ATOM 0 HB3 ALA A 1 -12.419 -12.675 7.191 1.00 2.95 H new ATOM 11 N PRO A 2 -11.844 -9.254 6.472 1.00 2.77 N ATOM 12 CA PRO A 2 -12.288 -8.289 5.493 1.00 3.43 C ATOM 13 C PRO A 2 -12.859 -9.021 4.280 1.00 2.70 C ATOM 14 O PRO A 2 -12.254 -9.974 3.795 1.00 3.37 O ATOM 15 CB PRO A 2 -11.038 -7.478 5.148 1.00 4.97 C ATOM 16 CG PRO A 2 -9.882 -8.444 5.395 1.00 5.16 C ATOM 17 CD PRO A 2 -10.399 -9.364 6.495 1.00 3.97 C ATOM 0 HA PRO A 2 -13.082 -7.636 5.855 1.00 3.43 H new ATOM 0 HB2 PRO A 2 -11.058 -7.138 4.113 1.00 4.97 H new ATOM 0 HB3 PRO A 2 -10.955 -6.590 5.774 1.00 4.97 H new ATOM 0 HG2 PRO A 2 -9.629 -9.002 4.494 1.00 5.16 H new ATOM 0 HG3 PRO A 2 -8.981 -7.916 5.707 1.00 5.16 H new ATOM 0 HD2 PRO A 2 -10.085 -10.393 6.321 1.00 3.97 H new ATOM 0 HD3 PRO A 2 -10.002 -9.070 7.467 1.00 3.97 H new ATOM 25 N SER A 3 -14.007 -8.568 3.769 1.00 1.61 N ATOM 26 CA SER A 3 -14.440 -8.997 2.444 1.00 1.27 C ATOM 27 C SER A 3 -13.472 -8.436 1.404 1.00 0.96 C ATOM 28 O SER A 3 -12.736 -7.499 1.704 1.00 1.13 O ATOM 29 CB SER A 3 -15.870 -8.524 2.189 1.00 1.69 C ATOM 30 OG SER A 3 -16.745 -9.270 3.007 1.00 2.15 O ATOM 0 H SER A 3 -14.637 -7.920 4.242 1.00 1.61 H new ATOM 0 HA SER A 3 -14.434 -10.085 2.376 1.00 1.27 H new ATOM 0 HB2 SER A 3 -15.961 -7.460 2.409 1.00 1.69 H new ATOM 0 HB3 SER A 3 -16.130 -8.656 1.139 1.00 1.69 H new ATOM 0 HG SER A 3 -17.667 -8.975 2.854 1.00 2.15 H new ATOM 36 N TYR A 4 -13.444 -9.010 0.196 1.00 0.80 N ATOM 37 CA TYR A 4 -12.397 -8.727 -0.774 1.00 0.79 C ATOM 38 C TYR A 4 -13.003 -8.156 -2.051 1.00 0.78 C ATOM 39 O TYR A 4 -13.866 -8.774 -2.686 1.00 0.89 O ATOM 40 CB TYR A 4 -11.618 -10.003 -1.110 1.00 1.01 C ATOM 41 CG TYR A 4 -11.375 -10.968 0.038 1.00 1.12 C ATOM 42 CD1 TYR A 4 -12.298 -11.996 0.314 1.00 1.83 C ATOM 43 CD2 TYR A 4 -10.218 -10.843 0.826 1.00 2.07 C ATOM 44 CE1 TYR A 4 -12.072 -12.886 1.380 1.00 2.03 C ATOM 45 CE2 TYR A 4 -9.997 -11.713 1.908 1.00 2.44 C ATOM 46 CZ TYR A 4 -10.927 -12.738 2.194 1.00 1.93 C ATOM 47 OH TYR A 4 -10.718 -13.594 3.237 1.00 2.43 O ATOM 0 H TYR A 4 -14.144 -9.678 -0.129 1.00 0.80 H new ATOM 0 HA TYR A 4 -11.716 -7.997 -0.337 1.00 0.79 H new ATOM 0 HB2 TYR A 4 -12.155 -10.535 -1.895 1.00 1.01 H new ATOM 0 HB3 TYR A 4 -10.652 -9.714 -1.524 1.00 1.01 H new ATOM 0 HD1 TYR A 4 -13.183 -12.101 -0.296 1.00 1.83 H new ATOM 0 HD2 TYR A 4 -9.494 -10.074 0.599 1.00 2.07 H new ATOM 0 HE1 TYR A 4 -12.774 -13.683 1.576 1.00 2.03 H new ATOM 0 HE2 TYR A 4 -9.116 -11.598 2.521 1.00 2.44 H new ATOM 0 HH TYR A 4 -9.885 -13.355 3.694 1.00 2.43 H new ATOM 57 N HIS A 5 -12.512 -6.996 -2.472 1.00 0.79 N ATOM 58 CA HIS A 5 -13.043 -6.297 -3.624 1.00 0.80 C ATOM 59 C HIS A 5 -11.893 -5.703 -4.426 1.00 0.79 C ATOM 60 O HIS A 5 -11.004 -5.062 -3.877 1.00 1.00 O ATOM 61 CB HIS A 5 -14.043 -5.227 -3.163 1.00 0.84 C ATOM 62 CG HIS A 5 -15.191 -5.033 -4.121 1.00 0.92 C ATOM 63 ND1 HIS A 5 -16.518 -4.938 -3.764 1.00 1.16 N ATOM 64 CD2 HIS A 5 -15.124 -4.972 -5.488 1.00 0.98 C ATOM 65 CE1 HIS A 5 -17.235 -4.830 -4.897 1.00 1.26 C ATOM 66 NE2 HIS A 5 -16.430 -4.863 -5.971 1.00 1.15 N ATOM 0 H HIS A 5 -11.733 -6.517 -2.020 1.00 0.79 H new ATOM 0 HA HIS A 5 -13.581 -6.987 -4.274 1.00 0.80 H new ATOM 0 HB2 HIS A 5 -14.437 -5.505 -2.186 1.00 0.84 H new ATOM 0 HB3 HIS A 5 -13.519 -4.279 -3.038 1.00 0.84 H new ATOM 0 HD2 HIS A 5 -14.224 -5.003 -6.084 1.00 0.98 H new ATOM 0 HE1 HIS A 5 -18.310 -4.730 -4.937 1.00 1.26 H new ATOM 0 HE2 HIS A 5 -16.716 -4.817 -6.949 1.00 1.15 H new ATOM 74 N VAL A 6 -11.898 -5.912 -5.740 1.00 0.67 N ATOM 75 CA VAL A 6 -10.911 -5.302 -6.613 1.00 0.62 C ATOM 76 C VAL A 6 -11.635 -4.296 -7.482 1.00 0.59 C ATOM 77 O VAL A 6 -12.749 -4.566 -7.927 1.00 0.64 O ATOM 78 CB VAL A 6 -10.216 -6.370 -7.460 1.00 0.73 C ATOM 79 CG1 VAL A 6 -9.108 -5.736 -8.305 1.00 1.66 C ATOM 80 CG2 VAL A 6 -9.591 -7.448 -6.574 1.00 1.55 C ATOM 0 H VAL A 6 -12.578 -6.501 -6.220 1.00 0.67 H new ATOM 0 HA VAL A 6 -10.135 -4.802 -6.033 1.00 0.62 H new ATOM 0 HB VAL A 6 -10.969 -6.822 -8.105 1.00 0.73 H new ATOM 0 HG11 VAL A 6 -8.621 -6.506 -8.903 1.00 1.66 H new ATOM 0 HG12 VAL A 6 -9.539 -4.983 -8.964 1.00 1.66 H new ATOM 0 HG13 VAL A 6 -8.374 -5.267 -7.650 1.00 1.66 H new ATOM 0 HG21 VAL A 6 -9.103 -8.195 -7.200 1.00 1.55 H new ATOM 0 HG22 VAL A 6 -8.855 -6.993 -5.912 1.00 1.55 H new ATOM 0 HG23 VAL A 6 -10.369 -7.925 -5.978 1.00 1.55 H new ATOM 90 N VAL A 7 -11.016 -3.145 -7.726 1.00 0.57 N ATOM 91 CA VAL A 7 -11.633 -2.113 -8.540 1.00 0.63 C ATOM 92 C VAL A 7 -10.583 -1.552 -9.490 1.00 0.60 C ATOM 93 O VAL A 7 -9.483 -1.182 -9.092 1.00 0.64 O ATOM 94 CB VAL A 7 -12.335 -1.071 -7.645 1.00 0.75 C ATOM 95 CG1 VAL A 7 -11.539 -0.744 -6.377 1.00 2.22 C ATOM 96 CG2 VAL A 7 -12.647 0.223 -8.408 1.00 2.36 C ATOM 0 H VAL A 7 -10.090 -2.907 -7.371 1.00 0.57 H new ATOM 0 HA VAL A 7 -12.430 -2.516 -9.165 1.00 0.63 H new ATOM 0 HB VAL A 7 -13.273 -1.535 -7.341 1.00 0.75 H new ATOM 0 HG11 VAL A 7 -12.082 -0.006 -5.787 1.00 2.22 H new ATOM 0 HG12 VAL A 7 -11.404 -1.651 -5.788 1.00 2.22 H new ATOM 0 HG13 VAL A 7 -10.564 -0.342 -6.653 1.00 2.22 H new ATOM 0 HG21 VAL A 7 -13.141 0.929 -7.740 1.00 2.36 H new ATOM 0 HG22 VAL A 7 -11.719 0.661 -8.777 1.00 2.36 H new ATOM 0 HG23 VAL A 7 -13.303 0.000 -9.250 1.00 2.36 H new ATOM 106 N ARG A 8 -10.914 -1.486 -10.777 1.00 0.66 N ATOM 107 CA ARG A 8 -10.005 -0.971 -11.786 1.00 0.67 C ATOM 108 C ARG A 8 -10.163 0.543 -11.779 1.00 0.65 C ATOM 109 O ARG A 8 -11.127 1.083 -12.315 1.00 0.80 O ATOM 110 CB ARG A 8 -10.322 -1.604 -13.153 1.00 0.83 C ATOM 111 CG ARG A 8 -11.733 -1.264 -13.668 1.00 1.86 C ATOM 112 CD ARG A 8 -12.339 -2.396 -14.494 1.00 2.28 C ATOM 113 NE ARG A 8 -13.804 -2.276 -14.523 1.00 3.34 N ATOM 114 CZ ARG A 8 -14.633 -3.108 -15.163 1.00 4.29 C ATOM 115 NH1 ARG A 8 -15.940 -2.842 -15.208 1.00 5.29 N ATOM 116 NH2 ARG A 8 -14.159 -4.198 -15.757 1.00 4.91 N ATOM 0 H ARG A 8 -11.817 -1.788 -11.144 1.00 0.66 H new ATOM 0 HA ARG A 8 -8.966 -1.225 -11.576 1.00 0.67 H new ATOM 0 HB2 ARG A 8 -9.585 -1.266 -13.882 1.00 0.83 H new ATOM 0 HB3 ARG A 8 -10.222 -2.687 -13.077 1.00 0.83 H new ATOM 0 HG2 ARG A 8 -12.384 -1.047 -12.821 1.00 1.86 H new ATOM 0 HG3 ARG A 8 -11.687 -0.359 -14.274 1.00 1.86 H new ATOM 0 HD2 ARG A 8 -11.944 -2.366 -15.510 1.00 2.28 H new ATOM 0 HD3 ARG A 8 -12.054 -3.359 -14.069 1.00 2.28 H new ATOM 0 HE ARG A 8 -14.221 -1.496 -14.015 1.00 3.34 H new ATOM 0 HH11 ARG A 8 -16.306 -2.005 -14.755 1.00 5.29 H new ATOM 0 HH12 ARG A 8 -16.573 -3.476 -15.696 1.00 5.29 H new ATOM 0 HH21 ARG A 8 -13.160 -4.402 -15.726 1.00 4.91 H new ATOM 0 HH22 ARG A 8 -14.794 -4.830 -16.244 1.00 4.91 H new ATOM 130 N GLY A 9 -9.242 1.232 -11.117 1.00 0.61 N ATOM 131 CA GLY A 9 -9.278 2.671 -11.001 1.00 0.67 C ATOM 132 C GLY A 9 -7.852 3.176 -10.920 1.00 0.68 C ATOM 133 O GLY A 9 -6.939 2.565 -11.475 1.00 0.98 O ATOM 0 H GLY A 9 -8.448 0.799 -10.646 1.00 0.61 H new ATOM 0 HA2 GLY A 9 -9.788 3.109 -11.859 1.00 0.67 H new ATOM 0 HA3 GLY A 9 -9.837 2.967 -10.113 1.00 0.67 H new ATOM 137 N ASP A 10 -7.662 4.288 -10.223 1.00 0.63 N ATOM 138 CA ASP A 10 -6.377 4.945 -10.095 1.00 0.65 C ATOM 139 C ASP A 10 -6.274 5.449 -8.662 1.00 0.59 C ATOM 140 O ASP A 10 -7.292 5.600 -7.990 1.00 0.55 O ATOM 141 CB ASP A 10 -6.296 6.093 -11.107 1.00 0.84 C ATOM 142 CG ASP A 10 -4.852 6.513 -11.345 1.00 1.33 C ATOM 143 OD1 ASP A 10 -4.282 7.123 -10.409 1.00 2.73 O ATOM 144 OD2 ASP A 10 -4.339 6.192 -12.442 1.00 2.07 O ATOM 0 H ASP A 10 -8.413 4.764 -9.723 1.00 0.63 H new ATOM 0 HA ASP A 10 -5.549 4.268 -10.303 1.00 0.65 H new ATOM 0 HB2 ASP A 10 -6.748 5.784 -12.049 1.00 0.84 H new ATOM 0 HB3 ASP A 10 -6.870 6.945 -10.742 1.00 0.84 H new ATOM 149 N ILE A 11 -5.068 5.735 -8.178 1.00 0.63 N ATOM 150 CA ILE A 11 -4.900 6.320 -6.857 1.00 0.71 C ATOM 151 C ILE A 11 -5.670 7.632 -6.795 1.00 0.83 C ATOM 152 O ILE A 11 -6.378 7.924 -5.836 1.00 0.93 O ATOM 153 CB ILE A 11 -3.393 6.454 -6.552 1.00 0.82 C ATOM 154 CG1 ILE A 11 -3.120 6.664 -5.063 1.00 2.18 C ATOM 155 CG2 ILE A 11 -2.646 7.528 -7.366 1.00 2.28 C ATOM 156 CD1 ILE A 11 -3.765 7.909 -4.465 1.00 4.14 C ATOM 0 H ILE A 11 -4.197 5.570 -8.682 1.00 0.63 H new ATOM 0 HA ILE A 11 -5.314 5.683 -6.076 1.00 0.71 H new ATOM 0 HB ILE A 11 -2.991 5.493 -6.871 1.00 0.82 H new ATOM 0 HG12 ILE A 11 -3.474 5.790 -4.516 1.00 2.18 H new ATOM 0 HG13 ILE A 11 -2.042 6.721 -4.910 1.00 2.18 H new ATOM 0 HG21 ILE A 11 -1.596 7.540 -7.075 1.00 2.28 H new ATOM 0 HG22 ILE A 11 -2.726 7.300 -8.429 1.00 2.28 H new ATOM 0 HG23 ILE A 11 -3.088 8.505 -7.171 1.00 2.28 H new ATOM 0 HD11 ILE A 11 -3.516 7.975 -3.406 1.00 4.14 H new ATOM 0 HD12 ILE A 11 -3.393 8.795 -4.980 1.00 4.14 H new ATOM 0 HD13 ILE A 11 -4.847 7.849 -4.581 1.00 4.14 H new ATOM 168 N ALA A 12 -5.569 8.416 -7.861 1.00 0.87 N ATOM 169 CA ALA A 12 -6.154 9.741 -7.907 1.00 0.96 C ATOM 170 C ALA A 12 -7.686 9.694 -7.899 1.00 0.89 C ATOM 171 O ALA A 12 -8.319 10.745 -7.817 1.00 0.96 O ATOM 172 CB ALA A 12 -5.623 10.508 -9.121 1.00 1.11 C ATOM 0 H ALA A 12 -5.079 8.148 -8.714 1.00 0.87 H new ATOM 0 HA ALA A 12 -5.856 10.272 -7.003 1.00 0.96 H new ATOM 0 HB1 ALA A 12 -6.069 11.502 -9.147 1.00 1.11 H new ATOM 0 HB2 ALA A 12 -4.539 10.598 -9.049 1.00 1.11 H new ATOM 0 HB3 ALA A 12 -5.883 9.971 -10.033 1.00 1.11 H new ATOM 178 N THR A 13 -8.287 8.501 -7.973 1.00 0.79 N ATOM 179 CA THR A 13 -9.727 8.316 -7.920 1.00 0.75 C ATOM 180 C THR A 13 -10.122 7.281 -6.860 1.00 0.69 C ATOM 181 O THR A 13 -11.306 6.974 -6.730 1.00 0.69 O ATOM 182 CB THR A 13 -10.236 7.936 -9.316 1.00 0.82 C ATOM 183 OG1 THR A 13 -9.508 6.841 -9.836 1.00 0.83 O ATOM 184 CG2 THR A 13 -10.079 9.111 -10.285 1.00 0.96 C ATOM 0 H THR A 13 -7.770 7.627 -8.073 1.00 0.79 H new ATOM 0 HA THR A 13 -10.199 9.251 -7.620 1.00 0.75 H new ATOM 0 HB THR A 13 -11.288 7.669 -9.216 1.00 0.82 H new ATOM 0 HG1 THR A 13 -9.850 6.614 -10.726 1.00 0.83 H new ATOM 0 HG21 THR A 13 -10.446 8.822 -11.270 1.00 0.96 H new ATOM 0 HG22 THR A 13 -10.653 9.963 -9.920 1.00 0.96 H new ATOM 0 HG23 THR A 13 -9.027 9.386 -10.356 1.00 0.96 H new ATOM 192 N ALA A 14 -9.171 6.797 -6.050 1.00 0.67 N ATOM 193 CA ALA A 14 -9.385 5.850 -4.962 1.00 0.61 C ATOM 194 C ALA A 14 -9.886 6.606 -3.736 1.00 0.61 C ATOM 195 O ALA A 14 -9.247 6.639 -2.690 1.00 0.63 O ATOM 196 CB ALA A 14 -8.065 5.131 -4.654 1.00 0.60 C ATOM 0 H ALA A 14 -8.193 7.070 -6.144 1.00 0.67 H new ATOM 0 HA ALA A 14 -10.130 5.107 -5.246 1.00 0.61 H new ATOM 0 HB1 ALA A 14 -8.218 4.421 -3.841 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -7.725 4.598 -5.542 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -7.312 5.862 -4.360 1.00 0.60 H new ATOM 202 N THR A 15 -11.028 7.270 -3.866 1.00 0.62 N ATOM 203 CA THR A 15 -11.580 8.147 -2.852 1.00 0.64 C ATOM 204 C THR A 15 -12.287 7.386 -1.720 1.00 0.58 C ATOM 205 O THR A 15 -13.253 7.886 -1.147 1.00 0.57 O ATOM 206 CB THR A 15 -12.488 9.179 -3.536 1.00 0.72 C ATOM 207 OG1 THR A 15 -13.540 8.595 -4.281 1.00 1.24 O ATOM 208 CG2 THR A 15 -11.677 10.079 -4.472 1.00 0.91 C ATOM 0 H THR A 15 -11.608 7.209 -4.703 1.00 0.62 H new ATOM 0 HA THR A 15 -10.762 8.669 -2.355 1.00 0.64 H new ATOM 0 HB THR A 15 -12.930 9.760 -2.726 1.00 0.72 H new ATOM 0 HG1 THR A 15 -14.083 9.301 -4.690 1.00 1.24 H new ATOM 0 HG21 THR A 15 -12.340 10.803 -4.946 1.00 0.91 H new ATOM 0 HG22 THR A 15 -10.914 10.607 -3.899 1.00 0.91 H new ATOM 0 HG23 THR A 15 -11.198 9.469 -5.238 1.00 0.91 H new ATOM 216 N GLU A 16 -11.756 6.235 -1.301 1.00 0.60 N ATOM 217 CA GLU A 16 -12.280 5.383 -0.229 1.00 0.56 C ATOM 218 C GLU A 16 -12.142 5.981 1.179 1.00 0.65 C ATOM 219 O GLU A 16 -12.152 5.260 2.174 1.00 0.72 O ATOM 220 CB GLU A 16 -11.570 4.018 -0.316 1.00 0.53 C ATOM 221 CG GLU A 16 -12.406 3.045 -1.148 1.00 0.58 C ATOM 222 CD GLU A 16 -12.570 3.526 -2.591 1.00 1.82 C ATOM 223 OE1 GLU A 16 -11.551 3.966 -3.176 1.00 2.98 O ATOM 224 OE2 GLU A 16 -13.719 3.475 -3.079 1.00 2.78 O ATOM 0 H GLU A 16 -10.908 5.853 -1.720 1.00 0.60 H new ATOM 0 HA GLU A 16 -13.355 5.283 -0.382 1.00 0.56 H new ATOM 0 HB2 GLU A 16 -10.584 4.140 -0.765 1.00 0.53 H new ATOM 0 HB3 GLU A 16 -11.416 3.614 0.685 1.00 0.53 H new ATOM 0 HG2 GLU A 16 -11.932 2.063 -1.144 1.00 0.58 H new ATOM 0 HG3 GLU A 16 -13.388 2.927 -0.691 1.00 0.58 H new ATOM 231 N GLY A 17 -11.985 7.296 1.316 1.00 0.70 N ATOM 232 CA GLY A 17 -11.809 7.938 2.607 1.00 0.80 C ATOM 233 C GLY A 17 -10.348 7.885 3.033 1.00 0.73 C ATOM 234 O GLY A 17 -9.827 8.865 3.562 1.00 0.80 O ATOM 0 H GLY A 17 -11.977 7.944 0.529 1.00 0.70 H new ATOM 0 HA2 GLY A 17 -12.141 8.975 2.553 1.00 0.80 H new ATOM 0 HA3 GLY A 17 -12.430 7.443 3.354 1.00 0.80 H new ATOM 238 N VAL A 18 -9.692 6.750 2.798 1.00 0.66 N ATOM 239 CA VAL A 18 -8.328 6.476 3.196 1.00 0.68 C ATOM 240 C VAL A 18 -7.644 5.839 1.996 1.00 0.61 C ATOM 241 O VAL A 18 -8.254 5.060 1.266 1.00 0.62 O ATOM 242 CB VAL A 18 -8.320 5.529 4.401 1.00 0.82 C ATOM 243 CG1 VAL A 18 -6.895 5.284 4.914 1.00 0.88 C ATOM 244 CG2 VAL A 18 -9.165 6.078 5.551 1.00 1.34 C ATOM 0 H VAL A 18 -10.122 5.968 2.304 1.00 0.66 H new ATOM 0 HA VAL A 18 -7.805 7.385 3.494 1.00 0.68 H new ATOM 0 HB VAL A 18 -8.747 4.588 4.055 1.00 0.82 H new ATOM 0 HG11 VAL A 18 -6.927 4.608 5.769 1.00 0.88 H new ATOM 0 HG12 VAL A 18 -6.294 4.838 4.121 1.00 0.88 H new ATOM 0 HG13 VAL A 18 -6.450 6.231 5.217 1.00 0.88 H new ATOM 0 HG21 VAL A 18 -9.137 5.381 6.388 1.00 1.34 H new ATOM 0 HG22 VAL A 18 -8.766 7.042 5.868 1.00 1.34 H new ATOM 0 HG23 VAL A 18 -10.195 6.203 5.218 1.00 1.34 H new ATOM 254 N ILE A 19 -6.376 6.187 1.807 1.00 0.59 N ATOM 255 CA ILE A 19 -5.549 5.785 0.693 1.00 0.61 C ATOM 256 C ILE A 19 -4.187 5.514 1.301 1.00 0.61 C ATOM 257 O ILE A 19 -3.729 6.317 2.109 1.00 0.64 O ATOM 258 CB ILE A 19 -5.439 6.948 -0.307 1.00 0.67 C ATOM 259 CG1 ILE A 19 -6.819 7.447 -0.763 1.00 0.75 C ATOM 260 CG2 ILE A 19 -4.601 6.538 -1.523 1.00 0.80 C ATOM 261 CD1 ILE A 19 -6.745 8.671 -1.679 1.00 1.31 C ATOM 0 H ILE A 19 -5.879 6.788 2.465 1.00 0.59 H new ATOM 0 HA ILE A 19 -5.951 4.920 0.165 1.00 0.61 H new ATOM 0 HB ILE A 19 -4.942 7.769 0.210 1.00 0.67 H new ATOM 0 HG12 ILE A 19 -7.335 6.641 -1.285 1.00 0.75 H new ATOM 0 HG13 ILE A 19 -7.417 7.693 0.114 1.00 0.75 H new ATOM 0 HG21 ILE A 19 -4.535 7.375 -2.218 1.00 0.80 H new ATOM 0 HG22 ILE A 19 -3.599 6.258 -1.197 1.00 0.80 H new ATOM 0 HG23 ILE A 19 -5.071 5.689 -2.020 1.00 0.80 H new ATOM 0 HD11 ILE A 19 -7.753 8.973 -1.965 1.00 1.31 H new ATOM 0 HD12 ILE A 19 -6.256 9.491 -1.152 1.00 1.31 H new ATOM 0 HD13 ILE A 19 -6.173 8.422 -2.573 1.00 1.31 H new ATOM 273 N ILE A 20 -3.522 4.430 0.917 1.00 0.62 N ATOM 274 CA ILE A 20 -2.171 4.161 1.356 1.00 0.65 C ATOM 275 C ILE A 20 -1.336 4.072 0.093 1.00 0.63 C ATOM 276 O ILE A 20 -1.781 3.481 -0.888 1.00 0.71 O ATOM 277 CB ILE A 20 -2.090 2.850 2.151 1.00 0.73 C ATOM 278 CG1 ILE A 20 -3.145 2.664 3.259 1.00 0.73 C ATOM 279 CG2 ILE A 20 -0.727 2.698 2.826 1.00 0.96 C ATOM 280 CD1 ILE A 20 -4.531 2.353 2.715 1.00 0.63 C ATOM 0 H ILE A 20 -3.908 3.720 0.295 1.00 0.62 H new ATOM 0 HA ILE A 20 -1.814 4.945 2.024 1.00 0.65 H new ATOM 0 HB ILE A 20 -2.274 2.096 1.386 1.00 0.73 H new ATOM 0 HG12 ILE A 20 -2.831 1.856 3.920 1.00 0.73 H new ATOM 0 HG13 ILE A 20 -3.193 3.570 3.863 1.00 0.73 H new ATOM 0 HG21 ILE A 20 -0.699 1.761 3.382 1.00 0.96 H new ATOM 0 HG22 ILE A 20 0.056 2.694 2.068 1.00 0.96 H new ATOM 0 HG23 ILE A 20 -0.565 3.531 3.511 1.00 0.96 H new ATOM 0 HD11 ILE A 20 -5.229 2.233 3.544 1.00 0.63 H new ATOM 0 HD12 ILE A 20 -4.863 3.171 2.076 1.00 0.63 H new ATOM 0 HD13 ILE A 20 -4.496 1.431 2.134 1.00 0.63 H new ATOM 292 N ASN A 21 -0.134 4.633 0.135 1.00 0.58 N ATOM 293 CA ASN A 21 0.844 4.562 -0.932 1.00 0.60 C ATOM 294 C ASN A 21 2.172 4.156 -0.311 1.00 0.59 C ATOM 295 O ASN A 21 2.366 4.268 0.903 1.00 0.62 O ATOM 296 CB ASN A 21 0.958 5.925 -1.641 1.00 0.62 C ATOM 297 CG ASN A 21 0.295 5.932 -3.012 1.00 1.29 C ATOM 298 OD1 ASN A 21 -0.435 5.025 -3.384 1.00 2.40 O ATOM 299 ND2 ASN A 21 0.565 6.947 -3.819 1.00 1.69 N ATOM 0 H ASN A 21 0.193 5.166 0.941 1.00 0.58 H new ATOM 0 HA ASN A 21 0.545 3.830 -1.683 1.00 0.60 H new ATOM 0 HB2 ASN A 21 0.501 6.694 -1.017 1.00 0.62 H new ATOM 0 HB3 ASN A 21 2.011 6.186 -1.750 1.00 0.62 H new ATOM 0 HD21 ASN A 21 0.163 6.974 -4.756 1.00 1.69 H new ATOM 0 HD22 ASN A 21 1.175 7.701 -3.503 1.00 1.69 H new ATOM 306 N ALA A 22 3.104 3.700 -1.148 1.00 0.65 N ATOM 307 CA ALA A 22 4.472 3.514 -0.706 1.00 0.72 C ATOM 308 C ALA A 22 5.055 4.867 -0.293 1.00 1.03 C ATOM 309 O ALA A 22 4.525 5.925 -0.630 1.00 2.07 O ATOM 310 CB ALA A 22 5.294 2.857 -1.820 1.00 1.06 C ATOM 0 H ALA A 22 2.933 3.457 -2.124 1.00 0.65 H new ATOM 0 HA ALA A 22 4.502 2.851 0.159 1.00 0.72 H new ATOM 0 HB1 ALA A 22 6.321 2.720 -1.482 1.00 1.06 H new ATOM 0 HB2 ALA A 22 4.861 1.888 -2.068 1.00 1.06 H new ATOM 0 HB3 ALA A 22 5.285 3.495 -2.704 1.00 1.06 H new ATOM 316 N ALA A 23 6.159 4.821 0.438 1.00 0.52 N ATOM 317 CA ALA A 23 6.814 5.993 1.000 1.00 0.85 C ATOM 318 C ALA A 23 8.306 5.735 1.166 1.00 0.74 C ATOM 319 O ALA A 23 9.156 6.546 0.805 1.00 0.93 O ATOM 320 CB ALA A 23 6.173 6.308 2.343 1.00 1.23 C ATOM 0 H ALA A 23 6.635 3.947 0.662 1.00 0.52 H new ATOM 0 HA ALA A 23 6.694 6.843 0.329 1.00 0.85 H new ATOM 0 HB1 ALA A 23 6.653 7.185 2.778 1.00 1.23 H new ATOM 0 HB2 ALA A 23 5.111 6.508 2.201 1.00 1.23 H new ATOM 0 HB3 ALA A 23 6.295 5.457 3.013 1.00 1.23 H new ATOM 326 N ASN A 24 8.640 4.568 1.709 1.00 0.56 N ATOM 327 CA ASN A 24 10.014 4.200 2.004 1.00 0.55 C ATOM 328 C ASN A 24 10.592 5.141 3.058 1.00 0.69 C ATOM 329 O ASN A 24 9.923 6.045 3.557 1.00 0.88 O ATOM 330 CB ASN A 24 10.880 4.201 0.735 1.00 0.81 C ATOM 331 CG ASN A 24 10.102 3.784 -0.505 1.00 1.32 C ATOM 332 OD1 ASN A 24 9.668 2.651 -0.617 1.00 1.45 O ATOM 333 ND2 ASN A 24 9.856 4.699 -1.429 1.00 2.13 N ATOM 0 H ASN A 24 7.959 3.850 1.957 1.00 0.56 H new ATOM 0 HA ASN A 24 10.018 3.184 2.399 1.00 0.55 H new ATOM 0 HB2 ASN A 24 11.293 5.198 0.582 1.00 0.81 H new ATOM 0 HB3 ASN A 24 11.723 3.525 0.875 1.00 0.81 H new ATOM 0 HD21 ASN A 24 9.297 4.460 -2.248 1.00 2.13 H new ATOM 0 HD22 ASN A 24 10.226 5.644 -1.322 1.00 2.13 H new ATOM 340 N SER A 25 11.886 5.007 3.326 1.00 0.72 N ATOM 341 CA SER A 25 12.604 5.976 4.137 1.00 0.90 C ATOM 342 C SER A 25 12.537 7.389 3.553 1.00 1.19 C ATOM 343 O SER A 25 12.810 8.349 4.259 1.00 1.45 O ATOM 344 CB SER A 25 14.057 5.521 4.263 1.00 0.97 C ATOM 345 OG SER A 25 14.550 5.168 2.981 1.00 1.80 O ATOM 0 H SER A 25 12.459 4.233 2.991 1.00 0.72 H new ATOM 0 HA SER A 25 12.131 6.023 5.118 1.00 0.90 H new ATOM 0 HB2 SER A 25 14.664 6.318 4.692 1.00 0.97 H new ATOM 0 HB3 SER A 25 14.126 4.669 4.939 1.00 0.97 H new ATOM 0 HG SER A 25 15.483 4.877 3.058 1.00 1.80 H new ATOM 351 N LYS A 26 12.193 7.528 2.270 1.00 1.27 N ATOM 352 CA LYS A 26 12.170 8.791 1.548 1.00 1.58 C ATOM 353 C LYS A 26 10.821 9.496 1.665 1.00 1.62 C ATOM 354 O LYS A 26 10.668 10.570 1.097 1.00 1.82 O ATOM 355 CB LYS A 26 12.481 8.520 0.068 1.00 1.65 C ATOM 356 CG LYS A 26 13.946 8.099 -0.119 1.00 1.91 C ATOM 357 CD LYS A 26 14.196 7.581 -1.542 1.00 2.10 C ATOM 358 CE LYS A 26 14.331 6.054 -1.517 1.00 2.11 C ATOM 359 NZ LYS A 26 14.418 5.481 -2.877 1.00 2.44 N ATOM 0 H LYS A 26 11.915 6.735 1.691 1.00 1.27 H new ATOM 0 HA LYS A 26 12.920 9.448 1.988 1.00 1.58 H new ATOM 0 HB2 LYS A 26 11.823 7.736 -0.308 1.00 1.65 H new ATOM 0 HB3 LYS A 26 12.278 9.415 -0.520 1.00 1.65 H new ATOM 0 HG2 LYS A 26 14.600 8.948 0.082 1.00 1.91 H new ATOM 0 HG3 LYS A 26 14.199 7.323 0.603 1.00 1.91 H new ATOM 0 HD2 LYS A 26 13.374 7.873 -2.196 1.00 2.10 H new ATOM 0 HD3 LYS A 26 15.102 8.030 -1.949 1.00 2.10 H new ATOM 0 HE2 LYS A 26 15.220 5.778 -0.950 1.00 2.11 H new ATOM 0 HE3 LYS A 26 13.475 5.623 -0.997 1.00 2.11 H new ATOM 0 HZ1 LYS A 26 14.508 4.447 -2.813 1.00 2.44 H new ATOM 0 HZ2 LYS A 26 13.558 5.721 -3.411 1.00 2.44 H new ATOM 0 HZ3 LYS A 26 15.249 5.871 -3.366 1.00 2.44 H new ATOM 373 N GLY A 27 9.819 8.891 2.303 1.00 1.51 N ATOM 374 CA GLY A 27 8.512 9.513 2.448 1.00 1.66 C ATOM 375 C GLY A 27 7.787 9.724 1.116 1.00 1.71 C ATOM 376 O GLY A 27 6.822 10.487 1.074 1.00 1.93 O ATOM 0 H GLY A 27 9.893 7.967 2.728 1.00 1.51 H new ATOM 0 HA2 GLY A 27 7.893 8.893 3.096 1.00 1.66 H new ATOM 0 HA3 GLY A 27 8.629 10.476 2.946 1.00 1.66 H new ATOM 380 N GLN A 28 8.221 9.058 0.040 1.00 1.59 N ATOM 381 CA GLN A 28 7.692 9.207 -1.300 1.00 1.66 C ATOM 382 C GLN A 28 7.464 7.820 -1.896 1.00 1.34 C ATOM 383 O GLN A 28 8.366 6.984 -1.839 1.00 1.32 O ATOM 384 CB GLN A 28 8.722 9.951 -2.158 1.00 1.92 C ATOM 385 CG GLN A 28 8.231 10.059 -3.604 1.00 1.79 C ATOM 386 CD GLN A 28 9.305 10.590 -4.538 1.00 1.90 C ATOM 387 OE1 GLN A 28 9.629 11.769 -4.538 1.00 2.73 O ATOM 388 NE2 GLN A 28 9.869 9.713 -5.360 1.00 2.03 N ATOM 0 H GLN A 28 8.979 8.377 0.092 1.00 1.59 H new ATOM 0 HA GLN A 28 6.755 9.763 -1.274 1.00 1.66 H new ATOM 0 HB2 GLN A 28 8.894 10.947 -1.750 1.00 1.92 H new ATOM 0 HB3 GLN A 28 9.677 9.426 -2.129 1.00 1.92 H new ATOM 0 HG2 GLN A 28 7.905 9.078 -3.949 1.00 1.79 H new ATOM 0 HG3 GLN A 28 7.362 10.716 -3.642 1.00 1.79 H new ATOM 0 HE21 GLN A 28 9.580 8.735 -5.339 1.00 2.03 H new ATOM 0 HE22 GLN A 28 10.592 10.017 -6.012 1.00 2.03 H new ATOM 397 N PRO A 29 6.312 7.570 -2.527 1.00 1.16 N ATOM 398 CA PRO A 29 6.068 6.312 -3.202 1.00 0.94 C ATOM 399 C PRO A 29 7.077 6.048 -4.314 1.00 1.10 C ATOM 400 O PRO A 29 7.626 6.965 -4.926 1.00 1.55 O ATOM 401 CB PRO A 29 4.624 6.365 -3.720 1.00 0.85 C ATOM 402 CG PRO A 29 4.175 7.818 -3.546 1.00 1.15 C ATOM 403 CD PRO A 29 5.152 8.438 -2.553 1.00 1.33 C ATOM 0 HA PRO A 29 6.194 5.476 -2.514 1.00 0.94 H new ATOM 0 HB2 PRO A 29 4.572 6.062 -4.766 1.00 0.85 H new ATOM 0 HB3 PRO A 29 3.981 5.687 -3.159 1.00 0.85 H new ATOM 0 HG2 PRO A 29 4.194 8.350 -4.497 1.00 1.15 H new ATOM 0 HG3 PRO A 29 3.152 7.869 -3.172 1.00 1.15 H new ATOM 0 HD2 PRO A 29 5.428 9.447 -2.858 1.00 1.33 H new ATOM 0 HD3 PRO A 29 4.703 8.516 -1.563 1.00 1.33 H new ATOM 411 N GLY A 30 7.298 4.760 -4.593 1.00 0.94 N ATOM 412 CA GLY A 30 8.033 4.352 -5.781 1.00 1.07 C ATOM 413 C GLY A 30 7.505 5.090 -7.015 1.00 1.67 C ATOM 414 O GLY A 30 6.299 5.315 -7.143 1.00 2.48 O ATOM 0 H GLY A 30 6.977 3.987 -4.010 1.00 0.94 H new ATOM 0 HA2 GLY A 30 9.094 4.563 -5.650 1.00 1.07 H new ATOM 0 HA3 GLY A 30 7.937 3.276 -5.924 1.00 1.07 H new ATOM 418 N GLY A 31 8.420 5.501 -7.899 1.00 1.73 N ATOM 419 CA GLY A 31 8.090 6.316 -9.056 1.00 2.53 C ATOM 420 C GLY A 31 7.004 5.649 -9.891 1.00 1.22 C ATOM 421 O GLY A 31 7.079 4.455 -10.172 1.00 1.89 O ATOM 0 H GLY A 31 9.411 5.273 -7.825 1.00 1.73 H new ATOM 0 HA2 GLY A 31 7.753 7.300 -8.730 1.00 2.53 H new ATOM 0 HA3 GLY A 31 8.981 6.470 -9.665 1.00 2.53 H new ATOM 425 N GLY A 32 5.985 6.420 -10.268 1.00 1.09 N ATOM 426 CA GLY A 32 4.797 5.902 -10.917 1.00 1.48 C ATOM 427 C GLY A 32 3.605 6.670 -10.374 1.00 1.30 C ATOM 428 O GLY A 32 3.343 7.791 -10.802 1.00 1.28 O ATOM 0 H GLY A 32 5.968 7.430 -10.127 1.00 1.09 H new ATOM 0 HA2 GLY A 32 4.869 6.021 -11.998 1.00 1.48 H new ATOM 0 HA3 GLY A 32 4.687 4.836 -10.720 1.00 1.48 H new ATOM 432 N VAL A 33 2.909 6.101 -9.389 1.00 1.23 N ATOM 433 CA VAL A 33 1.696 6.703 -8.848 1.00 1.12 C ATOM 434 C VAL A 33 1.954 8.061 -8.198 1.00 1.00 C ATOM 435 O VAL A 33 1.046 8.887 -8.179 1.00 0.92 O ATOM 436 CB VAL A 33 0.972 5.738 -7.894 1.00 1.18 C ATOM 437 CG1 VAL A 33 0.513 4.482 -8.643 1.00 1.93 C ATOM 438 CG2 VAL A 33 1.835 5.347 -6.689 1.00 1.87 C ATOM 0 H VAL A 33 3.169 5.218 -8.949 1.00 1.23 H new ATOM 0 HA VAL A 33 1.033 6.892 -9.692 1.00 1.12 H new ATOM 0 HB VAL A 33 0.100 6.269 -7.511 1.00 1.18 H new ATOM 0 HG11 VAL A 33 0.003 3.812 -7.951 1.00 1.93 H new ATOM 0 HG12 VAL A 33 -0.170 4.765 -9.444 1.00 1.93 H new ATOM 0 HG13 VAL A 33 1.379 3.975 -9.068 1.00 1.93 H new ATOM 0 HG21 VAL A 33 1.277 4.665 -6.048 1.00 1.87 H new ATOM 0 HG22 VAL A 33 2.744 4.856 -7.036 1.00 1.87 H new ATOM 0 HG23 VAL A 33 2.099 6.242 -6.125 1.00 1.87 H new ATOM 448 N CYS A 34 3.176 8.338 -7.715 1.00 1.06 N ATOM 449 CA CYS A 34 3.517 9.659 -7.211 1.00 1.10 C ATOM 450 C CYS A 34 3.162 10.759 -8.219 1.00 1.06 C ATOM 451 O CYS A 34 2.830 11.863 -7.812 1.00 1.04 O ATOM 452 CB CYS A 34 5.010 9.718 -6.859 1.00 1.26 C ATOM 453 SG CYS A 34 5.287 11.089 -5.704 1.00 2.04 S ATOM 0 H CYS A 34 3.936 7.660 -7.667 1.00 1.06 H new ATOM 0 HA CYS A 34 2.928 9.836 -6.311 1.00 1.10 H new ATOM 0 HB2 CYS A 34 5.329 8.777 -6.411 1.00 1.26 H new ATOM 0 HB3 CYS A 34 5.605 9.859 -7.761 1.00 1.26 H new ATOM 0 HG CYS A 34 4.460 12.056 -5.972 1.00 2.04 H new ATOM 459 N GLY A 35 3.227 10.485 -9.525 1.00 1.11 N ATOM 460 CA GLY A 35 2.999 11.497 -10.547 1.00 1.12 C ATOM 461 C GLY A 35 1.535 11.925 -10.598 1.00 0.96 C ATOM 462 O GLY A 35 1.220 13.108 -10.487 1.00 1.00 O ATOM 0 H GLY A 35 3.438 9.559 -9.897 1.00 1.11 H new ATOM 0 HA2 GLY A 35 3.626 12.366 -10.346 1.00 1.12 H new ATOM 0 HA3 GLY A 35 3.298 11.107 -11.520 1.00 1.12 H new ATOM 466 N ALA A 36 0.619 10.971 -10.772 1.00 0.87 N ATOM 467 CA ALA A 36 -0.806 11.282 -10.816 1.00 0.78 C ATOM 468 C ALA A 36 -1.245 11.856 -9.478 1.00 0.71 C ATOM 469 O ALA A 36 -1.962 12.858 -9.425 1.00 0.69 O ATOM 470 CB ALA A 36 -1.605 10.021 -11.155 1.00 0.83 C ATOM 0 H ALA A 36 0.839 9.981 -10.884 1.00 0.87 H new ATOM 0 HA ALA A 36 -0.993 12.025 -11.592 1.00 0.78 H new ATOM 0 HB1 ALA A 36 -2.668 10.261 -11.186 1.00 0.83 H new ATOM 0 HB2 ALA A 36 -1.290 9.641 -12.127 1.00 0.83 H new ATOM 0 HB3 ALA A 36 -1.427 9.262 -10.394 1.00 0.83 H new ATOM 476 N LEU A 37 -0.779 11.238 -8.394 1.00 0.70 N ATOM 477 CA LEU A 37 -1.088 11.700 -7.063 1.00 0.65 C ATOM 478 C LEU A 37 -0.634 13.130 -6.873 1.00 0.70 C ATOM 479 O LEU A 37 -1.359 13.911 -6.290 1.00 0.75 O ATOM 480 CB LEU A 37 -0.448 10.786 -6.019 1.00 0.67 C ATOM 481 CG LEU A 37 -0.866 11.174 -4.593 1.00 0.59 C ATOM 482 CD1 LEU A 37 -2.386 11.204 -4.491 1.00 0.81 C ATOM 483 CD2 LEU A 37 -0.355 10.088 -3.652 1.00 0.71 C ATOM 0 H LEU A 37 -0.183 10.411 -8.424 1.00 0.70 H new ATOM 0 HA LEU A 37 -2.170 11.669 -6.931 1.00 0.65 H new ATOM 0 HB2 LEU A 37 -0.736 9.753 -6.214 1.00 0.67 H new ATOM 0 HB3 LEU A 37 0.637 10.837 -6.107 1.00 0.67 H new ATOM 0 HG LEU A 37 -0.461 12.154 -4.339 1.00 0.59 H new ATOM 0 HD11 LEU A 37 -2.677 11.480 -3.477 1.00 0.81 H new ATOM 0 HD12 LEU A 37 -2.784 11.936 -5.195 1.00 0.81 H new ATOM 0 HD13 LEU A 37 -2.786 10.218 -4.728 1.00 0.81 H new ATOM 0 HD21 LEU A 37 -0.635 10.333 -2.628 1.00 0.71 H new ATOM 0 HD22 LEU A 37 -0.794 9.130 -3.929 1.00 0.71 H new ATOM 0 HD23 LEU A 37 0.731 10.024 -3.726 1.00 0.71 H new ATOM 495 N TYR A 38 0.533 13.495 -7.381 1.00 0.77 N ATOM 496 CA TYR A 38 1.032 14.855 -7.319 1.00 0.85 C ATOM 497 C TYR A 38 0.199 15.788 -8.192 1.00 0.87 C ATOM 498 O TYR A 38 0.053 16.963 -7.873 1.00 0.96 O ATOM 499 CB TYR A 38 2.488 14.836 -7.771 1.00 0.94 C ATOM 500 CG TYR A 38 3.140 16.167 -8.088 1.00 1.16 C ATOM 501 CD1 TYR A 38 3.923 16.825 -7.122 1.00 1.97 C ATOM 502 CD2 TYR A 38 3.026 16.702 -9.385 1.00 2.08 C ATOM 503 CE1 TYR A 38 4.600 18.014 -7.454 1.00 2.27 C ATOM 504 CE2 TYR A 38 3.687 17.896 -9.719 1.00 2.45 C ATOM 505 CZ TYR A 38 4.482 18.554 -8.756 1.00 2.07 C ATOM 506 OH TYR A 38 5.143 19.695 -9.098 1.00 2.58 O ATOM 0 H TYR A 38 1.165 12.847 -7.852 1.00 0.77 H new ATOM 0 HA TYR A 38 0.960 15.234 -6.300 1.00 0.85 H new ATOM 0 HB2 TYR A 38 3.076 14.351 -6.992 1.00 0.94 H new ATOM 0 HB3 TYR A 38 2.556 14.208 -8.659 1.00 0.94 H new ATOM 0 HD1 TYR A 38 4.005 16.418 -6.125 1.00 1.97 H new ATOM 0 HD2 TYR A 38 2.428 16.193 -10.126 1.00 2.08 H new ATOM 0 HE1 TYR A 38 5.209 18.513 -6.715 1.00 2.27 H new ATOM 0 HE2 TYR A 38 3.587 18.310 -10.712 1.00 2.45 H new ATOM 0 HH TYR A 38 4.947 19.919 -10.032 1.00 2.58 H new ATOM 516 N LYS A 39 -0.335 15.302 -9.315 1.00 0.84 N ATOM 517 CA LYS A 39 -1.000 16.171 -10.268 1.00 0.92 C ATOM 518 C LYS A 39 -2.290 16.688 -9.651 1.00 0.93 C ATOM 519 O LYS A 39 -2.703 17.814 -9.909 1.00 1.11 O ATOM 520 CB LYS A 39 -1.253 15.402 -11.571 1.00 0.97 C ATOM 521 CG LYS A 39 -1.641 16.375 -12.684 1.00 1.14 C ATOM 522 CD LYS A 39 -1.938 15.636 -13.991 1.00 1.41 C ATOM 523 CE LYS A 39 -2.281 16.665 -15.073 1.00 1.80 C ATOM 524 NZ LYS A 39 -2.615 16.026 -16.364 1.00 2.42 N ATOM 0 H LYS A 39 -0.317 14.317 -9.579 1.00 0.84 H new ATOM 0 HA LYS A 39 -0.373 17.030 -10.509 1.00 0.92 H new ATOM 0 HB2 LYS A 39 -0.358 14.848 -11.856 1.00 0.97 H new ATOM 0 HB3 LYS A 39 -2.047 14.670 -11.423 1.00 0.97 H new ATOM 0 HG2 LYS A 39 -2.517 16.947 -12.380 1.00 1.14 H new ATOM 0 HG3 LYS A 39 -0.833 17.089 -12.843 1.00 1.14 H new ATOM 0 HD2 LYS A 39 -1.075 15.043 -14.294 1.00 1.41 H new ATOM 0 HD3 LYS A 39 -2.768 14.943 -13.853 1.00 1.41 H new ATOM 0 HE2 LYS A 39 -3.123 17.272 -14.741 1.00 1.80 H new ATOM 0 HE3 LYS A 39 -1.436 17.340 -15.211 1.00 1.80 H new ATOM 0 HZ1 LYS A 39 -2.840 16.759 -17.066 1.00 2.42 H new ATOM 0 HZ2 LYS A 39 -1.803 15.467 -16.695 1.00 2.42 H new ATOM 0 HZ3 LYS A 39 -3.437 15.401 -16.240 1.00 2.42 H new ATOM 538 N LYS A 40 -2.951 15.835 -8.868 1.00 0.82 N ATOM 539 CA LYS A 40 -4.251 16.153 -8.289 1.00 0.87 C ATOM 540 C LYS A 40 -4.172 16.471 -6.800 1.00 0.83 C ATOM 541 O LYS A 40 -4.980 17.233 -6.280 1.00 1.00 O ATOM 542 CB LYS A 40 -5.165 14.966 -8.557 1.00 0.89 C ATOM 543 CG LYS A 40 -6.624 15.309 -8.224 1.00 1.09 C ATOM 544 CD LYS A 40 -7.567 14.921 -9.360 1.00 1.09 C ATOM 545 CE LYS A 40 -7.212 15.765 -10.588 1.00 1.35 C ATOM 546 NZ LYS A 40 -8.292 15.738 -11.596 1.00 1.72 N ATOM 0 H LYS A 40 -2.601 14.910 -8.620 1.00 0.82 H new ATOM 0 HA LYS A 40 -4.644 17.058 -8.752 1.00 0.87 H new ATOM 0 HB2 LYS A 40 -5.087 14.671 -9.603 1.00 0.89 H new ATOM 0 HB3 LYS A 40 -4.843 14.112 -7.960 1.00 0.89 H new ATOM 0 HG2 LYS A 40 -6.921 14.792 -7.312 1.00 1.09 H new ATOM 0 HG3 LYS A 40 -6.711 16.378 -8.027 1.00 1.09 H new ATOM 0 HD2 LYS A 40 -7.471 13.859 -9.588 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -8.603 15.092 -9.068 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -7.025 16.794 -10.281 1.00 1.35 H new ATOM 0 HE3 LYS A 40 -6.289 15.392 -11.032 1.00 1.35 H new ATOM 0 HZ1 LYS A 40 -8.018 16.320 -12.414 1.00 1.72 H new ATOM 0 HZ2 LYS A 40 -8.453 14.758 -11.906 1.00 1.72 H new ATOM 0 HZ3 LYS A 40 -9.166 16.117 -11.179 1.00 1.72 H new ATOM 560 N PHE A 41 -3.201 15.879 -6.121 1.00 0.77 N ATOM 561 CA PHE A 41 -2.978 16.015 -4.689 1.00 0.95 C ATOM 562 C PHE A 41 -1.477 16.231 -4.456 1.00 0.82 C ATOM 563 O PHE A 41 -0.817 15.415 -3.814 1.00 0.85 O ATOM 564 CB PHE A 41 -3.455 14.775 -3.901 1.00 1.26 C ATOM 565 CG PHE A 41 -4.825 14.190 -4.209 1.00 0.73 C ATOM 566 CD1 PHE A 41 -5.025 13.451 -5.390 1.00 0.74 C ATOM 567 CD2 PHE A 41 -5.870 14.275 -3.268 1.00 1.49 C ATOM 568 CE1 PHE A 41 -6.263 12.842 -5.650 1.00 0.89 C ATOM 569 CE2 PHE A 41 -7.108 13.658 -3.526 1.00 2.20 C ATOM 570 CZ PHE A 41 -7.308 12.945 -4.720 1.00 1.85 C ATOM 0 H PHE A 41 -2.520 15.267 -6.570 1.00 0.77 H new ATOM 0 HA PHE A 41 -3.558 16.864 -4.327 1.00 0.95 H new ATOM 0 HB2 PHE A 41 -2.718 13.986 -4.051 1.00 1.26 H new ATOM 0 HB3 PHE A 41 -3.437 15.031 -2.842 1.00 1.26 H new ATOM 0 HD1 PHE A 41 -4.219 13.352 -6.102 1.00 0.74 H new ATOM 0 HD2 PHE A 41 -5.720 14.816 -2.345 1.00 1.49 H new ATOM 0 HE1 PHE A 41 -6.411 12.293 -6.568 1.00 0.89 H new ATOM 0 HE2 PHE A 41 -7.907 13.733 -2.804 1.00 2.20 H new ATOM 0 HZ PHE A 41 -8.261 12.479 -4.921 1.00 1.85 H new ATOM 580 N PRO A 42 -0.910 17.354 -4.915 1.00 0.89 N ATOM 581 CA PRO A 42 0.505 17.640 -4.719 1.00 1.01 C ATOM 582 C PRO A 42 0.877 17.601 -3.248 1.00 1.11 C ATOM 583 O PRO A 42 1.981 17.208 -2.924 1.00 1.48 O ATOM 584 CB PRO A 42 0.768 18.992 -5.385 1.00 1.18 C ATOM 585 CG PRO A 42 -0.616 19.632 -5.493 1.00 1.24 C ATOM 586 CD PRO A 42 -1.575 18.448 -5.599 1.00 1.06 C ATOM 0 HA PRO A 42 1.140 16.882 -5.177 1.00 1.01 H new ATOM 0 HB2 PRO A 42 1.445 19.605 -4.789 1.00 1.18 H new ATOM 0 HB3 PRO A 42 1.228 18.870 -6.366 1.00 1.18 H new ATOM 0 HG2 PRO A 42 -0.839 20.247 -4.621 1.00 1.24 H new ATOM 0 HG3 PRO A 42 -0.687 20.280 -6.366 1.00 1.24 H new ATOM 0 HD2 PRO A 42 -2.535 18.676 -5.135 1.00 1.06 H new ATOM 0 HD3 PRO A 42 -1.776 18.197 -6.640 1.00 1.06 H new ATOM 594 N GLU A 43 -0.062 17.873 -2.351 1.00 1.04 N ATOM 595 CA GLU A 43 0.125 17.896 -0.910 1.00 1.22 C ATOM 596 C GLU A 43 0.442 16.518 -0.305 1.00 1.18 C ATOM 597 O GLU A 43 0.584 16.399 0.908 1.00 1.24 O ATOM 598 CB GLU A 43 -1.158 18.494 -0.328 1.00 1.34 C ATOM 599 CG GLU A 43 -1.141 20.017 -0.452 1.00 1.68 C ATOM 600 CD GLU A 43 -0.384 20.609 0.731 1.00 3.02 C ATOM 601 OE1 GLU A 43 0.813 20.921 0.553 1.00 4.23 O ATOM 602 OE2 GLU A 43 -1.024 20.685 1.806 1.00 4.00 O ATOM 0 H GLU A 43 -1.020 18.094 -2.624 1.00 1.04 H new ATOM 0 HA GLU A 43 1.000 18.495 -0.659 1.00 1.22 H new ATOM 0 HB2 GLU A 43 -2.025 18.090 -0.851 1.00 1.34 H new ATOM 0 HB3 GLU A 43 -1.257 18.209 0.720 1.00 1.34 H new ATOM 0 HG2 GLU A 43 -0.666 20.312 -1.387 1.00 1.68 H new ATOM 0 HG3 GLU A 43 -2.160 20.403 -0.477 1.00 1.68 H new ATOM 609 N SER A 44 0.585 15.471 -1.122 1.00 1.27 N ATOM 610 CA SER A 44 1.111 14.183 -0.696 1.00 1.41 C ATOM 611 C SER A 44 2.638 14.103 -0.815 1.00 1.41 C ATOM 612 O SER A 44 3.216 13.084 -0.438 1.00 1.61 O ATOM 613 CB SER A 44 0.483 13.089 -1.560 1.00 1.86 C ATOM 614 OG SER A 44 -0.482 12.374 -0.820 1.00 2.12 O ATOM 0 H SER A 44 0.334 15.500 -2.110 1.00 1.27 H new ATOM 0 HA SER A 44 0.860 14.051 0.356 1.00 1.41 H new ATOM 0 HB2 SER A 44 0.020 13.533 -2.441 1.00 1.86 H new ATOM 0 HB3 SER A 44 1.256 12.408 -1.915 1.00 1.86 H new ATOM 0 HG SER A 44 -0.035 11.831 -0.137 1.00 2.12 H new ATOM 620 N PHE A 45 3.304 15.130 -1.351 1.00 1.41 N ATOM 621 CA PHE A 45 4.756 15.197 -1.488 1.00 1.59 C ATOM 622 C PHE A 45 5.419 15.558 -0.167 1.00 1.45 C ATOM 623 O PHE A 45 6.131 16.548 -0.044 1.00 1.93 O ATOM 624 CB PHE A 45 5.132 16.181 -2.603 1.00 2.26 C ATOM 625 CG PHE A 45 4.677 17.637 -2.509 1.00 3.04 C ATOM 626 CD1 PHE A 45 4.709 18.388 -3.694 1.00 3.73 C ATOM 627 CD2 PHE A 45 4.163 18.241 -1.338 1.00 4.50 C ATOM 628 CE1 PHE A 45 4.282 19.726 -3.719 1.00 5.36 C ATOM 629 CE2 PHE A 45 3.726 19.578 -1.357 1.00 6.26 C ATOM 630 CZ PHE A 45 3.795 20.323 -2.545 1.00 6.56 C ATOM 0 H PHE A 45 2.832 15.959 -1.711 1.00 1.41 H new ATOM 0 HA PHE A 45 5.127 14.211 -1.766 1.00 1.59 H new ATOM 0 HB2 PHE A 45 6.219 16.183 -2.683 1.00 2.26 H new ATOM 0 HB3 PHE A 45 4.744 15.778 -3.539 1.00 2.26 H new ATOM 0 HD1 PHE A 45 5.068 17.929 -4.603 1.00 3.73 H new ATOM 0 HD2 PHE A 45 4.106 17.671 -0.422 1.00 4.50 H new ATOM 0 HE1 PHE A 45 4.328 20.293 -4.637 1.00 5.36 H new ATOM 0 HE2 PHE A 45 3.337 20.032 -0.457 1.00 6.26 H new ATOM 0 HZ PHE A 45 3.474 21.354 -2.556 1.00 6.56 H new ATOM 640 N ASP A 46 5.185 14.723 0.831 1.00 1.19 N ATOM 641 CA ASP A 46 5.751 14.870 2.149 1.00 1.59 C ATOM 642 C ASP A 46 7.248 14.653 1.999 1.00 1.71 C ATOM 643 O ASP A 46 8.054 15.453 2.466 1.00 2.49 O ATOM 644 CB ASP A 46 5.081 13.846 3.071 1.00 1.97 C ATOM 645 CG ASP A 46 5.118 14.288 4.528 1.00 2.66 C ATOM 646 OD1 ASP A 46 6.207 14.168 5.122 1.00 3.58 O ATOM 647 OD2 ASP A 46 4.054 14.710 5.030 1.00 3.10 O ATOM 0 H ASP A 46 4.581 13.906 0.739 1.00 1.19 H new ATOM 0 HA ASP A 46 5.584 15.852 2.591 1.00 1.59 H new ATOM 0 HB2 ASP A 46 4.046 13.700 2.761 1.00 1.97 H new ATOM 0 HB3 ASP A 46 5.582 12.883 2.970 1.00 1.97 H new ATOM 652 N LEU A 47 7.600 13.578 1.274 1.00 1.25 N ATOM 653 CA LEU A 47 8.957 13.130 0.965 1.00 1.31 C ATOM 654 C LEU A 47 9.930 13.332 2.129 1.00 1.29 C ATOM 655 O LEU A 47 11.117 13.601 1.945 1.00 1.41 O ATOM 656 CB LEU A 47 9.429 13.639 -0.410 1.00 1.43 C ATOM 657 CG LEU A 47 9.238 15.133 -0.710 1.00 1.93 C ATOM 658 CD1 LEU A 47 10.354 16.005 -0.142 1.00 2.58 C ATOM 659 CD2 LEU A 47 9.151 15.303 -2.227 1.00 2.24 C ATOM 0 H LEU A 47 6.896 12.964 0.865 1.00 1.25 H new ATOM 0 HA LEU A 47 8.937 12.046 0.853 1.00 1.31 H new ATOM 0 HB2 LEU A 47 10.489 13.408 -0.510 1.00 1.43 H new ATOM 0 HB3 LEU A 47 8.905 13.071 -1.178 1.00 1.43 H new ATOM 0 HG LEU A 47 8.322 15.466 -0.223 1.00 1.93 H new ATOM 0 HD11 LEU A 47 10.161 17.049 -0.388 1.00 2.58 H new ATOM 0 HD12 LEU A 47 10.392 15.888 0.941 1.00 2.58 H new ATOM 0 HD13 LEU A 47 11.308 15.701 -0.573 1.00 2.58 H new ATOM 0 HD21 LEU A 47 9.015 16.357 -2.468 1.00 2.24 H new ATOM 0 HD22 LEU A 47 10.071 14.942 -2.687 1.00 2.24 H new ATOM 0 HD23 LEU A 47 8.305 14.731 -2.609 1.00 2.24 H new ATOM 671 N GLN A 48 9.411 13.164 3.348 1.00 1.20 N ATOM 672 CA GLN A 48 10.203 13.291 4.561 1.00 1.21 C ATOM 673 C GLN A 48 10.935 11.992 4.884 1.00 1.24 C ATOM 674 O GLN A 48 10.543 10.917 4.433 1.00 1.24 O ATOM 675 CB GLN A 48 9.302 13.675 5.743 1.00 1.20 C ATOM 676 CG GLN A 48 9.058 15.189 5.753 1.00 1.99 C ATOM 677 CD GLN A 48 8.561 15.701 7.103 1.00 2.53 C ATOM 678 OE1 GLN A 48 8.280 14.951 8.032 1.00 2.76 O ATOM 679 NE2 GLN A 48 8.527 17.018 7.266 1.00 3.39 N ATOM 0 H GLN A 48 8.431 12.937 3.515 1.00 1.20 H new ATOM 0 HA GLN A 48 10.943 14.073 4.393 1.00 1.21 H new ATOM 0 HB2 GLN A 48 8.351 13.147 5.672 1.00 1.20 H new ATOM 0 HB3 GLN A 48 9.768 13.368 6.679 1.00 1.20 H new ATOM 0 HG2 GLN A 48 9.983 15.703 5.493 1.00 1.99 H new ATOM 0 HG3 GLN A 48 8.328 15.439 4.984 1.00 1.99 H new ATOM 0 HE21 GLN A 48 8.762 17.634 6.488 1.00 3.39 H new ATOM 0 HE22 GLN A 48 8.266 17.414 8.169 1.00 3.39 H new ATOM 688 N PRO A 49 11.975 12.071 5.724 1.00 1.33 N ATOM 689 CA PRO A 49 12.637 10.898 6.256 1.00 1.43 C ATOM 690 C PRO A 49 11.688 10.160 7.209 1.00 1.27 C ATOM 691 O PRO A 49 11.417 10.648 8.305 1.00 1.53 O ATOM 692 CB PRO A 49 13.894 11.430 6.951 1.00 1.59 C ATOM 693 CG PRO A 49 13.515 12.855 7.355 1.00 1.51 C ATOM 694 CD PRO A 49 12.580 13.294 6.230 1.00 1.39 C ATOM 0 HA PRO A 49 12.912 10.169 5.493 1.00 1.43 H new ATOM 0 HB2 PRO A 49 14.157 10.825 7.819 1.00 1.59 H new ATOM 0 HB3 PRO A 49 14.755 11.420 6.283 1.00 1.59 H new ATOM 0 HG2 PRO A 49 13.019 12.881 8.325 1.00 1.51 H new ATOM 0 HG3 PRO A 49 14.390 13.500 7.427 1.00 1.51 H new ATOM 0 HD2 PRO A 49 11.821 13.984 6.598 1.00 1.39 H new ATOM 0 HD3 PRO A 49 13.129 13.814 5.445 1.00 1.39 H new ATOM 702 N ILE A 50 11.185 8.985 6.815 1.00 0.94 N ATOM 703 CA ILE A 50 10.362 8.136 7.665 1.00 0.85 C ATOM 704 C ILE A 50 11.235 6.969 8.133 1.00 0.84 C ATOM 705 O ILE A 50 12.253 6.652 7.517 1.00 0.87 O ATOM 706 CB ILE A 50 9.090 7.688 6.909 1.00 0.81 C ATOM 707 CG1 ILE A 50 8.321 8.924 6.400 1.00 0.95 C ATOM 708 CG2 ILE A 50 8.191 6.846 7.818 1.00 0.80 C ATOM 709 CD1 ILE A 50 6.999 8.591 5.699 1.00 1.04 C ATOM 0 H ILE A 50 11.343 8.598 5.885 1.00 0.94 H new ATOM 0 HA ILE A 50 10.004 8.673 8.543 1.00 0.85 H new ATOM 0 HB ILE A 50 9.388 7.076 6.058 1.00 0.81 H new ATOM 0 HG12 ILE A 50 8.117 9.585 7.243 1.00 0.95 H new ATOM 0 HG13 ILE A 50 8.958 9.476 5.709 1.00 0.95 H new ATOM 0 HG21 ILE A 50 7.301 6.540 7.268 1.00 0.80 H new ATOM 0 HG22 ILE A 50 8.735 5.961 8.149 1.00 0.80 H new ATOM 0 HG23 ILE A 50 7.896 7.436 8.686 1.00 0.80 H new ATOM 0 HD11 ILE A 50 6.519 9.513 5.371 1.00 1.04 H new ATOM 0 HD12 ILE A 50 7.195 7.956 4.835 1.00 1.04 H new ATOM 0 HD13 ILE A 50 6.341 8.067 6.392 1.00 1.04 H new ATOM 721 N GLU A 51 10.853 6.343 9.247 1.00 0.83 N ATOM 722 CA GLU A 51 11.559 5.213 9.813 1.00 0.85 C ATOM 723 C GLU A 51 11.419 3.997 8.902 1.00 0.77 C ATOM 724 O GLU A 51 10.564 3.951 8.021 1.00 0.99 O ATOM 725 CB GLU A 51 10.963 4.886 11.189 1.00 0.90 C ATOM 726 CG GLU A 51 12.015 4.804 12.302 1.00 1.14 C ATOM 727 CD GLU A 51 11.799 5.918 13.326 1.00 1.49 C ATOM 728 OE1 GLU A 51 10.715 5.895 13.956 1.00 2.27 O ATOM 729 OE2 GLU A 51 12.678 6.795 13.440 1.00 2.11 O ATOM 0 H GLU A 51 10.030 6.618 9.783 1.00 0.83 H new ATOM 0 HA GLU A 51 12.615 5.463 9.913 1.00 0.85 H new ATOM 0 HB2 GLU A 51 10.228 5.648 11.449 1.00 0.90 H new ATOM 0 HB3 GLU A 51 10.431 3.936 11.131 1.00 0.90 H new ATOM 0 HG2 GLU A 51 11.957 3.833 12.794 1.00 1.14 H new ATOM 0 HG3 GLU A 51 13.014 4.885 11.873 1.00 1.14 H new ATOM 736 N VAL A 52 12.214 2.963 9.156 1.00 0.61 N ATOM 737 CA VAL A 52 12.279 1.814 8.269 1.00 0.54 C ATOM 738 C VAL A 52 11.526 0.652 8.898 1.00 0.45 C ATOM 739 O VAL A 52 12.081 -0.115 9.679 1.00 0.61 O ATOM 740 CB VAL A 52 13.742 1.481 7.933 1.00 0.65 C ATOM 741 CG1 VAL A 52 13.815 0.522 6.740 1.00 0.87 C ATOM 742 CG2 VAL A 52 14.529 2.749 7.578 1.00 1.12 C ATOM 0 H VAL A 52 12.823 2.900 9.972 1.00 0.61 H new ATOM 0 HA VAL A 52 11.794 2.038 7.319 1.00 0.54 H new ATOM 0 HB VAL A 52 14.178 1.015 8.817 1.00 0.65 H new ATOM 0 HG11 VAL A 52 14.858 0.298 6.517 1.00 0.87 H new ATOM 0 HG12 VAL A 52 13.289 -0.401 6.983 1.00 0.87 H new ATOM 0 HG13 VAL A 52 13.350 0.987 5.871 1.00 0.87 H new ATOM 0 HG21 VAL A 52 15.560 2.484 7.345 1.00 1.12 H new ATOM 0 HG22 VAL A 52 14.073 3.230 6.712 1.00 1.12 H new ATOM 0 HG23 VAL A 52 14.513 3.436 8.424 1.00 1.12 H new ATOM 752 N GLY A 53 10.239 0.566 8.565 1.00 0.47 N ATOM 753 CA GLY A 53 9.319 -0.421 9.107 1.00 0.52 C ATOM 754 C GLY A 53 8.036 0.257 9.578 1.00 0.55 C ATOM 755 O GLY A 53 6.973 -0.359 9.593 1.00 0.94 O ATOM 0 H GLY A 53 9.801 1.198 7.895 1.00 0.47 H new ATOM 0 HA2 GLY A 53 9.087 -1.168 8.348 1.00 0.52 H new ATOM 0 HA3 GLY A 53 9.787 -0.947 9.939 1.00 0.52 H new ATOM 759 N LYS A 54 8.108 1.537 9.963 1.00 0.40 N ATOM 760 CA LYS A 54 6.952 2.243 10.473 1.00 0.39 C ATOM 761 C LYS A 54 6.315 2.993 9.310 1.00 0.36 C ATOM 762 O LYS A 54 7.016 3.570 8.485 1.00 0.42 O ATOM 763 CB LYS A 54 7.373 3.173 11.625 1.00 0.58 C ATOM 764 CG LYS A 54 6.181 4.049 12.006 1.00 1.71 C ATOM 765 CD LYS A 54 6.153 4.588 13.442 1.00 2.10 C ATOM 766 CE LYS A 54 6.976 5.867 13.627 1.00 3.36 C ATOM 767 NZ LYS A 54 8.246 5.623 14.338 1.00 3.95 N ATOM 0 H LYS A 54 8.961 2.096 9.927 1.00 0.40 H new ATOM 0 HA LYS A 54 6.214 1.556 10.887 1.00 0.39 H new ATOM 0 HB2 LYS A 54 7.701 2.587 12.483 1.00 0.58 H new ATOM 0 HB3 LYS A 54 8.216 3.793 11.321 1.00 0.58 H new ATOM 0 HG2 LYS A 54 6.151 4.898 11.323 1.00 1.71 H new ATOM 0 HG3 LYS A 54 5.270 3.474 11.840 1.00 1.71 H new ATOM 0 HD2 LYS A 54 5.120 4.785 13.728 1.00 2.10 H new ATOM 0 HD3 LYS A 54 6.531 3.821 14.118 1.00 2.10 H new ATOM 0 HE2 LYS A 54 7.188 6.304 12.651 1.00 3.36 H new ATOM 0 HE3 LYS A 54 6.387 6.597 14.182 1.00 3.36 H new ATOM 0 HZ1 LYS A 54 8.206 6.060 15.281 1.00 3.95 H new ATOM 0 HZ2 LYS A 54 8.397 4.599 14.438 1.00 3.95 H new ATOM 0 HZ3 LYS A 54 9.032 6.038 13.797 1.00 3.95 H new ATOM 781 N ALA A 55 4.987 3.030 9.279 1.00 0.33 N ATOM 782 CA ALA A 55 4.240 3.857 8.344 1.00 0.31 C ATOM 783 C ALA A 55 3.868 5.167 9.038 1.00 0.33 C ATOM 784 O ALA A 55 3.715 5.205 10.259 1.00 0.38 O ATOM 785 CB ALA A 55 2.978 3.109 7.904 1.00 0.30 C ATOM 0 H ALA A 55 4.397 2.483 9.906 1.00 0.33 H new ATOM 0 HA ALA A 55 4.843 4.075 7.463 1.00 0.31 H new ATOM 0 HB1 ALA A 55 2.415 3.726 7.203 1.00 0.30 H new ATOM 0 HB2 ALA A 55 3.259 2.174 7.420 1.00 0.30 H new ATOM 0 HB3 ALA A 55 2.360 2.894 8.776 1.00 0.30 H new ATOM 791 N ARG A 56 3.709 6.245 8.268 1.00 0.33 N ATOM 792 CA ARG A 56 3.323 7.553 8.773 1.00 0.34 C ATOM 793 C ARG A 56 2.285 8.120 7.812 1.00 0.29 C ATOM 794 O ARG A 56 2.449 8.018 6.602 1.00 0.34 O ATOM 795 CB ARG A 56 4.569 8.450 8.856 1.00 0.49 C ATOM 796 CG ARG A 56 4.728 9.070 10.245 1.00 1.00 C ATOM 797 CD ARG A 56 6.035 9.871 10.294 1.00 1.58 C ATOM 798 NE ARG A 56 6.274 10.445 11.625 1.00 2.12 N ATOM 799 CZ ARG A 56 5.701 11.555 12.111 1.00 2.75 C ATOM 800 NH1 ARG A 56 5.986 11.960 13.350 1.00 3.29 N ATOM 801 NH2 ARG A 56 4.844 12.251 11.363 1.00 3.67 N ATOM 0 H ARG A 56 3.849 6.227 7.258 1.00 0.33 H new ATOM 0 HA ARG A 56 2.895 7.492 9.774 1.00 0.34 H new ATOM 0 HB2 ARG A 56 5.456 7.864 8.615 1.00 0.49 H new ATOM 0 HB3 ARG A 56 4.498 9.242 8.110 1.00 0.49 H new ATOM 0 HG2 ARG A 56 3.881 9.720 10.465 1.00 1.00 H new ATOM 0 HG3 ARG A 56 4.737 8.289 11.006 1.00 1.00 H new ATOM 0 HD2 ARG A 56 6.869 9.223 10.023 1.00 1.58 H new ATOM 0 HD3 ARG A 56 5.999 10.671 9.554 1.00 1.58 H new ATOM 0 HE ARG A 56 6.933 9.957 12.232 1.00 2.12 H new ATOM 0 HH11 ARG A 56 6.638 11.425 13.924 1.00 3.29 H new ATOM 0 HH12 ARG A 56 5.552 12.804 13.723 1.00 3.29 H new ATOM 0 HH21 ARG A 56 4.622 11.939 10.417 1.00 3.67 H new ATOM 0 HH22 ARG A 56 4.410 13.095 11.736 1.00 3.67 H new ATOM 815 N LEU A 57 1.200 8.687 8.329 1.00 0.35 N ATOM 816 CA LEU A 57 0.209 9.353 7.499 1.00 0.45 C ATOM 817 C LEU A 57 0.684 10.761 7.155 1.00 0.52 C ATOM 818 O LEU A 57 1.446 11.353 7.919 1.00 0.60 O ATOM 819 CB LEU A 57 -1.184 9.353 8.155 1.00 0.59 C ATOM 820 CG LEU A 57 -1.293 10.036 9.529 1.00 0.89 C ATOM 821 CD1 LEU A 57 -2.672 10.690 9.666 1.00 1.67 C ATOM 822 CD2 LEU A 57 -1.151 9.029 10.680 1.00 1.26 C ATOM 0 H LEU A 57 0.986 8.697 9.326 1.00 0.35 H new ATOM 0 HA LEU A 57 0.103 8.793 6.570 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -1.882 9.841 7.475 1.00 0.59 H new ATOM 0 HB3 LEU A 57 -1.512 8.319 8.261 1.00 0.59 H new ATOM 0 HG LEU A 57 -0.489 10.770 9.588 1.00 0.89 H new ATOM 0 HD11 LEU A 57 -2.750 11.174 10.639 1.00 1.67 H new ATOM 0 HD12 LEU A 57 -2.802 11.433 8.880 1.00 1.67 H new ATOM 0 HD13 LEU A 57 -3.446 9.928 9.577 1.00 1.67 H new ATOM 0 HD21 LEU A 57 -1.234 9.552 11.633 1.00 1.26 H new ATOM 0 HD22 LEU A 57 -1.939 8.280 10.607 1.00 1.26 H new ATOM 0 HD23 LEU A 57 -0.179 8.540 10.618 1.00 1.26 H new ATOM 834 N VAL A 58 0.222 11.295 6.022 1.00 0.60 N ATOM 835 CA VAL A 58 0.565 12.620 5.550 1.00 0.71 C ATOM 836 C VAL A 58 -0.753 13.364 5.365 1.00 0.73 C ATOM 837 O VAL A 58 -1.644 12.908 4.650 1.00 0.79 O ATOM 838 CB VAL A 58 1.424 12.531 4.274 1.00 0.87 C ATOM 839 CG1 VAL A 58 2.632 11.620 4.521 1.00 1.44 C ATOM 840 CG2 VAL A 58 0.689 12.011 3.031 1.00 0.97 C ATOM 0 H VAL A 58 -0.415 10.799 5.399 1.00 0.60 H new ATOM 0 HA VAL A 58 1.183 13.171 6.259 1.00 0.71 H new ATOM 0 HB VAL A 58 1.716 13.560 4.063 1.00 0.87 H new ATOM 0 HG11 VAL A 58 3.235 11.562 3.615 1.00 1.44 H new ATOM 0 HG12 VAL A 58 3.235 12.027 5.332 1.00 1.44 H new ATOM 0 HG13 VAL A 58 2.286 10.622 4.792 1.00 1.44 H new ATOM 0 HG21 VAL A 58 1.377 11.985 2.186 1.00 0.97 H new ATOM 0 HG22 VAL A 58 0.313 11.006 3.224 1.00 0.97 H new ATOM 0 HG23 VAL A 58 -0.146 12.672 2.799 1.00 0.97 H new ATOM 850 N LYS A 59 -0.933 14.476 6.074 1.00 0.83 N ATOM 851 CA LYS A 59 -2.200 15.189 6.046 1.00 0.88 C ATOM 852 C LYS A 59 -2.036 16.372 5.099 1.00 0.96 C ATOM 853 O LYS A 59 -1.550 17.427 5.487 1.00 1.31 O ATOM 854 CB LYS A 59 -2.655 15.529 7.474 1.00 1.27 C ATOM 855 CG LYS A 59 -1.784 16.563 8.196 1.00 2.02 C ATOM 856 CD LYS A 59 -2.037 16.552 9.704 1.00 2.37 C ATOM 857 CE LYS A 59 -2.120 18.010 10.157 1.00 3.61 C ATOM 858 NZ LYS A 59 -2.185 18.134 11.629 1.00 4.48 N ATOM 0 H LYS A 59 -0.221 14.898 6.670 1.00 0.83 H new ATOM 0 HA LYS A 59 -3.017 14.583 5.655 1.00 0.88 H new ATOM 0 HB2 LYS A 59 -3.679 15.900 7.435 1.00 1.27 H new ATOM 0 HB3 LYS A 59 -2.670 14.612 8.064 1.00 1.27 H new ATOM 0 HG2 LYS A 59 -0.732 16.354 8.001 1.00 2.02 H new ATOM 0 HG3 LYS A 59 -1.991 17.556 7.798 1.00 2.02 H new ATOM 0 HD2 LYS A 59 -2.962 16.024 9.935 1.00 2.37 H new ATOM 0 HD3 LYS A 59 -1.234 16.032 10.226 1.00 2.37 H new ATOM 0 HE2 LYS A 59 -1.251 18.554 9.786 1.00 3.61 H new ATOM 0 HE3 LYS A 59 -3.001 18.476 9.715 1.00 3.61 H new ATOM 0 HZ1 LYS A 59 -2.240 19.139 11.891 1.00 4.48 H new ATOM 0 HZ2 LYS A 59 -3.028 17.637 11.982 1.00 4.48 H new ATOM 0 HZ3 LYS A 59 -1.333 17.713 12.051 1.00 4.48 H new ATOM 872 N GLY A 60 -2.390 16.170 3.835 1.00 1.03 N ATOM 873 CA GLY A 60 -2.258 17.169 2.811 1.00 1.34 C ATOM 874 C GLY A 60 -3.587 17.888 2.667 1.00 1.34 C ATOM 875 O GLY A 60 -4.650 17.306 2.880 1.00 1.35 O ATOM 0 H GLY A 60 -2.782 15.290 3.500 1.00 1.03 H new ATOM 0 HA2 GLY A 60 -1.471 17.876 3.071 1.00 1.34 H new ATOM 0 HA3 GLY A 60 -1.972 16.707 1.866 1.00 1.34 H new ATOM 879 N ALA A 61 -3.523 19.155 2.278 1.00 1.42 N ATOM 880 CA ALA A 61 -4.693 20.014 2.138 1.00 1.54 C ATOM 881 C ALA A 61 -5.718 19.413 1.178 1.00 1.46 C ATOM 882 O ALA A 61 -6.920 19.553 1.381 1.00 1.54 O ATOM 883 CB ALA A 61 -4.270 21.410 1.672 1.00 1.71 C ATOM 0 H ALA A 61 -2.646 19.622 2.048 1.00 1.42 H new ATOM 0 HA ALA A 61 -5.169 20.097 3.115 1.00 1.54 H new ATOM 0 HB1 ALA A 61 -5.152 22.043 1.571 1.00 1.71 H new ATOM 0 HB2 ALA A 61 -3.591 21.848 2.404 1.00 1.71 H new ATOM 0 HB3 ALA A 61 -3.765 21.335 0.709 1.00 1.71 H new ATOM 889 N ALA A 62 -5.241 18.753 0.121 1.00 1.35 N ATOM 890 CA ALA A 62 -6.107 18.122 -0.860 1.00 1.34 C ATOM 891 C ALA A 62 -6.899 16.978 -0.220 1.00 1.25 C ATOM 892 O ALA A 62 -8.115 16.897 -0.385 1.00 1.31 O ATOM 893 CB ALA A 62 -5.261 17.628 -2.037 1.00 1.30 C ATOM 0 H ALA A 62 -4.246 18.645 -0.073 1.00 1.35 H new ATOM 0 HA ALA A 62 -6.829 18.849 -1.231 1.00 1.34 H new ATOM 0 HB1 ALA A 62 -5.907 17.154 -2.776 1.00 1.30 H new ATOM 0 HB2 ALA A 62 -4.746 18.473 -2.495 1.00 1.30 H new ATOM 0 HB3 ALA A 62 -4.527 16.906 -1.680 1.00 1.30 H new ATOM 899 N LYS A 63 -6.216 16.062 0.474 1.00 1.12 N ATOM 900 CA LYS A 63 -6.843 14.960 1.197 1.00 1.07 C ATOM 901 C LYS A 63 -5.792 14.354 2.127 1.00 0.99 C ATOM 902 O LYS A 63 -4.595 14.548 1.923 1.00 0.97 O ATOM 903 CB LYS A 63 -7.374 13.916 0.195 1.00 1.03 C ATOM 904 CG LYS A 63 -8.410 12.933 0.760 1.00 1.37 C ATOM 905 CD LYS A 63 -9.648 13.649 1.318 1.00 2.37 C ATOM 906 CE LYS A 63 -10.807 12.653 1.431 1.00 2.95 C ATOM 907 NZ LYS A 63 -12.011 13.272 2.030 1.00 3.57 N ATOM 0 H LYS A 63 -5.199 16.069 0.548 1.00 1.12 H new ATOM 0 HA LYS A 63 -7.691 15.310 1.786 1.00 1.07 H new ATOM 0 HB2 LYS A 63 -7.819 14.441 -0.650 1.00 1.03 H new ATOM 0 HB3 LYS A 63 -6.530 13.346 -0.192 1.00 1.03 H new ATOM 0 HG2 LYS A 63 -8.716 12.241 -0.024 1.00 1.37 H new ATOM 0 HG3 LYS A 63 -7.950 12.338 1.549 1.00 1.37 H new ATOM 0 HD2 LYS A 63 -9.425 14.076 2.296 1.00 2.37 H new ATOM 0 HD3 LYS A 63 -9.928 14.476 0.666 1.00 2.37 H new ATOM 0 HE2 LYS A 63 -11.052 12.267 0.441 1.00 2.95 H new ATOM 0 HE3 LYS A 63 -10.497 11.802 2.037 1.00 2.95 H new ATOM 0 HZ1 LYS A 63 -12.772 12.565 2.089 1.00 3.57 H new ATOM 0 HZ2 LYS A 63 -11.785 13.618 2.984 1.00 3.57 H new ATOM 0 HZ3 LYS A 63 -12.323 14.068 1.438 1.00 3.57 H new ATOM 921 N HIS A 64 -6.224 13.596 3.133 1.00 1.00 N ATOM 922 CA HIS A 64 -5.300 12.796 3.921 1.00 0.93 C ATOM 923 C HIS A 64 -4.902 11.568 3.108 1.00 0.80 C ATOM 924 O HIS A 64 -5.747 10.956 2.455 1.00 0.88 O ATOM 925 CB HIS A 64 -5.961 12.357 5.231 1.00 1.03 C ATOM 926 CG HIS A 64 -6.260 13.474 6.200 1.00 1.30 C ATOM 927 ND1 HIS A 64 -6.792 13.304 7.459 1.00 1.64 N ATOM 928 CD2 HIS A 64 -6.047 14.817 6.018 1.00 1.36 C ATOM 929 CE1 HIS A 64 -6.897 14.521 8.022 1.00 1.88 C ATOM 930 NE2 HIS A 64 -6.452 15.470 7.185 1.00 1.70 N ATOM 0 H HIS A 64 -7.201 13.522 3.417 1.00 1.00 H new ATOM 0 HA HIS A 64 -4.417 13.389 4.161 1.00 0.93 H new ATOM 0 HB2 HIS A 64 -6.892 11.841 4.996 1.00 1.03 H new ATOM 0 HB3 HIS A 64 -5.312 11.633 5.723 1.00 1.03 H new ATOM 0 HD2 HIS A 64 -5.640 15.285 5.133 1.00 1.36 H new ATOM 0 HE1 HIS A 64 -7.286 14.708 9.012 1.00 1.88 H new ATOM 0 HE2 HIS A 64 -6.416 16.473 7.365 1.00 1.70 H new ATOM 938 N ILE A 65 -3.626 11.198 3.172 1.00 0.65 N ATOM 939 CA ILE A 65 -3.057 10.012 2.553 1.00 0.50 C ATOM 940 C ILE A 65 -2.265 9.298 3.649 1.00 0.43 C ATOM 941 O ILE A 65 -1.958 9.887 4.683 1.00 0.53 O ATOM 942 CB ILE A 65 -2.228 10.422 1.308 1.00 0.47 C ATOM 943 CG1 ILE A 65 -3.113 10.663 0.066 1.00 0.69 C ATOM 944 CG2 ILE A 65 -1.181 9.385 0.884 1.00 0.49 C ATOM 945 CD1 ILE A 65 -3.627 12.096 -0.051 1.00 1.05 C ATOM 0 H ILE A 65 -2.931 11.744 3.681 1.00 0.65 H new ATOM 0 HA ILE A 65 -3.805 9.318 2.169 1.00 0.50 H new ATOM 0 HB ILE A 65 -1.732 11.337 1.632 1.00 0.47 H new ATOM 0 HG12 ILE A 65 -2.542 10.417 -0.829 1.00 0.69 H new ATOM 0 HG13 ILE A 65 -3.964 9.982 0.099 1.00 0.69 H new ATOM 0 HG21 ILE A 65 -0.645 9.747 0.007 1.00 0.49 H new ATOM 0 HG22 ILE A 65 -0.476 9.225 1.700 1.00 0.49 H new ATOM 0 HG23 ILE A 65 -1.677 8.445 0.643 1.00 0.49 H new ATOM 0 HD11 ILE A 65 -4.241 12.190 -0.947 1.00 1.05 H new ATOM 0 HD12 ILE A 65 -4.225 12.341 0.827 1.00 1.05 H new ATOM 0 HD13 ILE A 65 -2.782 12.781 -0.117 1.00 1.05 H new ATOM 957 N ILE A 66 -1.940 8.024 3.451 1.00 0.37 N ATOM 958 CA ILE A 66 -1.152 7.229 4.374 1.00 0.35 C ATOM 959 C ILE A 66 0.088 6.792 3.600 1.00 0.33 C ATOM 960 O ILE A 66 -0.017 6.498 2.411 1.00 0.40 O ATOM 961 CB ILE A 66 -1.963 6.025 4.882 1.00 0.42 C ATOM 962 CG1 ILE A 66 -3.410 6.342 5.314 1.00 0.52 C ATOM 963 CG2 ILE A 66 -1.217 5.318 6.021 1.00 0.45 C ATOM 964 CD1 ILE A 66 -3.526 7.252 6.534 1.00 0.49 C ATOM 0 H ILE A 66 -2.227 7.506 2.620 1.00 0.37 H new ATOM 0 HA ILE A 66 -0.871 7.797 5.261 1.00 0.35 H new ATOM 0 HB ILE A 66 -2.058 5.367 4.018 1.00 0.42 H new ATOM 0 HG12 ILE A 66 -3.930 6.810 4.478 1.00 0.52 H new ATOM 0 HG13 ILE A 66 -3.925 5.405 5.526 1.00 0.52 H new ATOM 0 HG21 ILE A 66 -1.805 4.468 6.369 1.00 0.45 H new ATOM 0 HG22 ILE A 66 -0.250 4.967 5.660 1.00 0.45 H new ATOM 0 HG23 ILE A 66 -1.065 6.016 6.845 1.00 0.45 H new ATOM 0 HD11 ILE A 66 -4.578 7.420 6.764 1.00 0.49 H new ATOM 0 HD12 ILE A 66 -3.039 6.780 7.387 1.00 0.49 H new ATOM 0 HD13 ILE A 66 -3.044 8.207 6.323 1.00 0.49 H new ATOM 976 N HIS A 67 1.255 6.749 4.239 1.00 0.31 N ATOM 977 CA HIS A 67 2.517 6.486 3.561 1.00 0.36 C ATOM 978 C HIS A 67 3.237 5.360 4.304 1.00 0.33 C ATOM 979 O HIS A 67 3.360 5.395 5.525 1.00 0.41 O ATOM 980 CB HIS A 67 3.333 7.796 3.496 1.00 0.49 C ATOM 981 CG HIS A 67 3.300 8.524 2.165 1.00 1.01 C ATOM 982 ND1 HIS A 67 4.134 9.559 1.791 1.00 1.72 N ATOM 983 CD2 HIS A 67 2.422 8.324 1.131 1.00 1.64 C ATOM 984 CE1 HIS A 67 3.745 9.979 0.574 1.00 2.31 C ATOM 985 NE2 HIS A 67 2.708 9.253 0.127 1.00 2.32 N ATOM 0 H HIS A 67 1.350 6.896 5.244 1.00 0.31 H new ATOM 0 HA HIS A 67 2.367 6.156 2.533 1.00 0.36 H new ATOM 0 HB2 HIS A 67 2.964 8.471 4.268 1.00 0.49 H new ATOM 0 HB3 HIS A 67 4.371 7.569 3.740 1.00 0.49 H new ATOM 0 HD1 HIS A 67 4.906 9.937 2.339 1.00 1.72 H new ATOM 0 HD2 HIS A 67 1.643 7.577 1.098 1.00 1.64 H new ATOM 0 HE1 HIS A 67 4.205 10.791 0.030 1.00 2.31 H new ATOM 993 N ALA A 68 3.684 4.334 3.579 1.00 0.35 N ATOM 994 CA ALA A 68 4.197 3.101 4.162 1.00 0.34 C ATOM 995 C ALA A 68 5.625 2.837 3.697 1.00 0.32 C ATOM 996 O ALA A 68 5.950 2.999 2.520 1.00 0.42 O ATOM 997 CB ALA A 68 3.289 1.938 3.756 1.00 0.45 C ATOM 0 H ALA A 68 3.699 4.339 2.559 1.00 0.35 H new ATOM 0 HA ALA A 68 4.207 3.198 5.248 1.00 0.34 H new ATOM 0 HB1 ALA A 68 3.668 1.012 4.189 1.00 0.45 H new ATOM 0 HB2 ALA A 68 2.278 2.122 4.119 1.00 0.45 H new ATOM 0 HB3 ALA A 68 3.274 1.850 2.670 1.00 0.45 H new ATOM 1003 N VAL A 69 6.493 2.402 4.607 1.00 0.51 N ATOM 1004 CA VAL A 69 7.846 2.061 4.275 1.00 0.61 C ATOM 1005 C VAL A 69 7.900 0.569 3.991 1.00 0.72 C ATOM 1006 O VAL A 69 7.801 -0.246 4.901 1.00 0.95 O ATOM 1007 CB VAL A 69 8.743 2.521 5.424 1.00 0.78 C ATOM 1008 CG1 VAL A 69 10.170 2.067 5.143 1.00 1.42 C ATOM 1009 CG2 VAL A 69 8.609 4.048 5.524 1.00 1.62 C ATOM 0 H VAL A 69 6.263 2.281 5.593 1.00 0.51 H new ATOM 0 HA VAL A 69 8.208 2.561 3.377 1.00 0.61 H new ATOM 0 HB VAL A 69 8.455 2.087 6.381 1.00 0.78 H new ATOM 0 HG11 VAL A 69 10.821 2.389 5.956 1.00 1.42 H new ATOM 0 HG12 VAL A 69 10.197 0.980 5.065 1.00 1.42 H new ATOM 0 HG13 VAL A 69 10.514 2.507 4.207 1.00 1.42 H new ATOM 0 HG21 VAL A 69 9.237 4.416 6.336 1.00 1.62 H new ATOM 0 HG22 VAL A 69 8.926 4.503 4.586 1.00 1.62 H new ATOM 0 HG23 VAL A 69 7.570 4.310 5.722 1.00 1.62 H new ATOM 1019 N GLY A 70 8.052 0.231 2.711 1.00 0.77 N ATOM 1020 CA GLY A 70 8.281 -1.125 2.255 1.00 0.96 C ATOM 1021 C GLY A 70 9.621 -1.128 1.532 1.00 0.99 C ATOM 1022 O GLY A 70 9.778 -0.381 0.570 1.00 1.21 O ATOM 0 H GLY A 70 8.017 0.912 1.952 1.00 0.77 H new ATOM 0 HA2 GLY A 70 8.294 -1.818 3.096 1.00 0.96 H new ATOM 0 HA3 GLY A 70 7.482 -1.448 1.588 1.00 0.96 H new ATOM 1026 N PRO A 71 10.609 -1.899 1.999 1.00 1.51 N ATOM 1027 CA PRO A 71 11.908 -1.975 1.362 1.00 1.81 C ATOM 1028 C PRO A 71 11.821 -2.831 0.101 1.00 1.20 C ATOM 1029 O PRO A 71 10.759 -3.325 -0.277 1.00 1.06 O ATOM 1030 CB PRO A 71 12.826 -2.597 2.415 1.00 2.68 C ATOM 1031 CG PRO A 71 11.876 -3.518 3.170 1.00 2.78 C ATOM 1032 CD PRO A 71 10.561 -2.740 3.179 1.00 2.19 C ATOM 0 HA PRO A 71 12.283 -1.003 1.041 1.00 1.81 H new ATOM 0 HB2 PRO A 71 13.651 -3.147 1.962 1.00 2.68 H new ATOM 0 HB3 PRO A 71 13.266 -1.843 3.068 1.00 2.68 H new ATOM 0 HG2 PRO A 71 11.769 -4.481 2.671 1.00 2.78 H new ATOM 0 HG3 PRO A 71 12.230 -3.720 4.181 1.00 2.78 H new ATOM 0 HD2 PRO A 71 9.705 -3.414 3.148 1.00 2.19 H new ATOM 0 HD3 PRO A 71 10.463 -2.142 4.085 1.00 2.19 H new ATOM 1040 N ASN A 72 12.957 -3.017 -0.564 1.00 1.12 N ATOM 1041 CA ASN A 72 13.004 -3.643 -1.867 1.00 0.81 C ATOM 1042 C ASN A 72 13.752 -4.949 -1.660 1.00 0.74 C ATOM 1043 O ASN A 72 14.928 -4.896 -1.326 1.00 0.78 O ATOM 1044 CB ASN A 72 13.745 -2.730 -2.870 1.00 1.06 C ATOM 1045 CG ASN A 72 13.210 -1.298 -2.909 1.00 1.53 C ATOM 1046 OD1 ASN A 72 13.339 -0.558 -1.941 1.00 2.23 O ATOM 1047 ND2 ASN A 72 12.623 -0.853 -4.013 1.00 2.48 N ATOM 0 H ASN A 72 13.870 -2.735 -0.207 1.00 1.12 H new ATOM 0 HA ASN A 72 12.009 -3.817 -2.278 1.00 0.81 H new ATOM 0 HB2 ASN A 72 14.804 -2.706 -2.612 1.00 1.06 H new ATOM 0 HB3 ASN A 72 13.670 -3.164 -3.867 1.00 1.06 H new ATOM 0 HD21 ASN A 72 12.279 0.106 -4.056 1.00 2.48 H new ATOM 0 HD22 ASN A 72 12.516 -1.470 -4.818 1.00 2.48 H new ATOM 1054 N PHE A 73 13.128 -6.111 -1.869 1.00 0.71 N ATOM 1055 CA PHE A 73 13.826 -7.395 -1.810 1.00 0.73 C ATOM 1056 C PHE A 73 14.968 -7.436 -2.832 1.00 0.73 C ATOM 1057 O PHE A 73 15.947 -8.149 -2.650 1.00 0.80 O ATOM 1058 CB PHE A 73 12.875 -8.581 -2.013 1.00 0.79 C ATOM 1059 CG PHE A 73 11.779 -8.766 -0.972 1.00 2.08 C ATOM 1060 CD1 PHE A 73 10.656 -7.913 -0.931 1.00 3.54 C ATOM 1061 CD2 PHE A 73 11.851 -9.850 -0.077 1.00 3.00 C ATOM 1062 CE1 PHE A 73 9.627 -8.138 0.002 1.00 5.04 C ATOM 1063 CE2 PHE A 73 10.817 -10.082 0.850 1.00 4.45 C ATOM 1064 CZ PHE A 73 9.706 -9.223 0.890 1.00 5.29 C ATOM 0 H PHE A 73 12.133 -6.187 -2.082 1.00 0.71 H new ATOM 0 HA PHE A 73 14.246 -7.488 -0.809 1.00 0.73 H new ATOM 0 HB2 PHE A 73 12.402 -8.475 -2.989 1.00 0.79 H new ATOM 0 HB3 PHE A 73 13.471 -9.493 -2.045 1.00 0.79 H new ATOM 0 HD1 PHE A 73 10.586 -7.083 -1.619 1.00 3.54 H new ATOM 0 HD2 PHE A 73 12.706 -10.509 -0.102 1.00 3.00 H new ATOM 0 HE1 PHE A 73 8.775 -7.475 0.035 1.00 5.04 H new ATOM 0 HE2 PHE A 73 10.878 -10.919 1.529 1.00 4.45 H new ATOM 0 HZ PHE A 73 8.914 -9.397 1.603 1.00 5.29 H new ATOM 1074 N ASN A 74 14.911 -6.612 -3.881 1.00 0.72 N ATOM 1075 CA ASN A 74 16.034 -6.459 -4.804 1.00 0.79 C ATOM 1076 C ASN A 74 17.345 -6.070 -4.109 1.00 0.90 C ATOM 1077 O ASN A 74 18.431 -6.288 -4.640 1.00 1.10 O ATOM 1078 CB ASN A 74 15.669 -5.411 -5.859 1.00 0.81 C ATOM 1079 CG ASN A 74 16.696 -5.390 -6.980 1.00 1.15 C ATOM 1080 OD1 ASN A 74 16.898 -6.390 -7.654 1.00 2.00 O ATOM 1081 ND2 ASN A 74 17.336 -4.252 -7.224 1.00 1.81 N ATOM 0 H ASN A 74 14.098 -6.041 -4.111 1.00 0.72 H new ATOM 0 HA ASN A 74 16.211 -7.431 -5.265 1.00 0.79 H new ATOM 0 HB2 ASN A 74 14.682 -5.629 -6.268 1.00 0.81 H new ATOM 0 HB3 ASN A 74 15.611 -4.426 -5.395 1.00 0.81 H new ATOM 0 HD21 ASN A 74 18.012 -4.200 -7.986 1.00 1.81 H new ATOM 0 HD22 ASN A 74 17.152 -3.430 -6.649 1.00 1.81 H new ATOM 1088 N LYS A 75 17.248 -5.451 -2.932 1.00 0.85 N ATOM 1089 CA LYS A 75 18.358 -5.002 -2.109 1.00 0.96 C ATOM 1090 C LYS A 75 18.140 -5.374 -0.638 1.00 0.87 C ATOM 1091 O LYS A 75 18.783 -4.792 0.230 1.00 0.90 O ATOM 1092 CB LYS A 75 18.501 -3.480 -2.281 1.00 1.11 C ATOM 1093 CG LYS A 75 19.194 -3.106 -3.597 1.00 1.30 C ATOM 1094 CD LYS A 75 20.708 -3.318 -3.476 1.00 2.02 C ATOM 1095 CE LYS A 75 21.364 -3.263 -4.856 1.00 2.15 C ATOM 1096 NZ LYS A 75 22.823 -3.486 -4.766 1.00 3.64 N ATOM 0 H LYS A 75 16.343 -5.241 -2.510 1.00 0.85 H new ATOM 0 HA LYS A 75 19.276 -5.496 -2.427 1.00 0.96 H new ATOM 0 HB2 LYS A 75 17.514 -3.019 -2.249 1.00 1.11 H new ATOM 0 HB3 LYS A 75 19.070 -3.074 -1.445 1.00 1.11 H new ATOM 0 HG2 LYS A 75 18.798 -3.714 -4.411 1.00 1.30 H new ATOM 0 HG3 LYS A 75 18.984 -2.066 -3.845 1.00 1.30 H new ATOM 0 HD2 LYS A 75 21.139 -2.553 -2.830 1.00 2.02 H new ATOM 0 HD3 LYS A 75 20.911 -4.281 -3.008 1.00 2.02 H new ATOM 0 HE2 LYS A 75 20.918 -4.018 -5.504 1.00 2.15 H new ATOM 0 HE3 LYS A 75 21.170 -2.294 -5.315 1.00 2.15 H new ATOM 0 HZ1 LYS A 75 23.240 -3.443 -5.718 1.00 3.64 H new ATOM 0 HZ2 LYS A 75 23.250 -2.751 -4.167 1.00 3.64 H new ATOM 0 HZ3 LYS A 75 23.006 -4.421 -4.350 1.00 3.64 H new ATOM 1110 N VAL A 76 17.279 -6.349 -0.337 1.00 0.79 N ATOM 1111 CA VAL A 76 17.042 -6.782 1.035 1.00 0.78 C ATOM 1112 C VAL A 76 16.775 -8.287 0.998 1.00 0.76 C ATOM 1113 O VAL A 76 16.104 -8.767 0.090 1.00 0.89 O ATOM 1114 CB VAL A 76 15.907 -5.931 1.658 1.00 0.84 C ATOM 1115 CG1 VAL A 76 14.696 -6.730 2.142 1.00 0.70 C ATOM 1116 CG2 VAL A 76 16.462 -5.122 2.827 1.00 1.02 C ATOM 0 H VAL A 76 16.732 -6.855 -1.034 1.00 0.79 H new ATOM 0 HA VAL A 76 17.902 -6.622 1.685 1.00 0.78 H new ATOM 0 HB VAL A 76 15.547 -5.290 0.853 1.00 0.84 H new ATOM 0 HG11 VAL A 76 13.955 -6.049 2.562 1.00 0.70 H new ATOM 0 HG12 VAL A 76 14.258 -7.271 1.303 1.00 0.70 H new ATOM 0 HG13 VAL A 76 15.011 -7.440 2.907 1.00 0.70 H new ATOM 0 HG21 VAL A 76 15.664 -4.523 3.266 1.00 1.02 H new ATOM 0 HG22 VAL A 76 16.864 -5.800 3.580 1.00 1.02 H new ATOM 0 HG23 VAL A 76 17.255 -4.465 2.471 1.00 1.02 H new ATOM 1126 N SER A 77 17.323 -9.062 1.936 1.00 0.73 N ATOM 1127 CA SER A 77 17.167 -10.503 1.889 1.00 0.78 C ATOM 1128 C SER A 77 15.728 -10.818 2.270 1.00 0.74 C ATOM 1129 O SER A 77 15.119 -10.057 3.015 1.00 0.68 O ATOM 1130 CB SER A 77 18.156 -11.155 2.861 1.00 0.88 C ATOM 1131 OG SER A 77 18.483 -12.462 2.435 1.00 2.15 O ATOM 0 H SER A 77 17.870 -8.715 2.724 1.00 0.73 H new ATOM 0 HA SER A 77 17.376 -10.895 0.894 1.00 0.78 H new ATOM 0 HB2 SER A 77 19.061 -10.551 2.927 1.00 0.88 H new ATOM 0 HB3 SER A 77 17.722 -11.190 3.860 1.00 0.88 H new ATOM 0 HG SER A 77 19.117 -12.863 3.066 1.00 2.15 H new ATOM 1137 N GLU A 78 15.201 -11.967 1.851 1.00 0.81 N ATOM 1138 CA GLU A 78 13.836 -12.377 2.178 1.00 0.81 C ATOM 1139 C GLU A 78 13.563 -12.344 3.677 1.00 0.76 C ATOM 1140 O GLU A 78 12.433 -12.130 4.086 1.00 0.73 O ATOM 1141 CB GLU A 78 13.542 -13.779 1.628 1.00 0.93 C ATOM 1142 CG GLU A 78 12.717 -13.695 0.341 1.00 1.20 C ATOM 1143 CD GLU A 78 12.345 -15.092 -0.157 1.00 1.76 C ATOM 1144 OE1 GLU A 78 11.216 -15.532 0.151 1.00 2.39 O ATOM 1145 OE2 GLU A 78 13.208 -15.704 -0.823 1.00 2.91 O ATOM 0 H GLU A 78 15.708 -12.640 1.276 1.00 0.81 H new ATOM 0 HA GLU A 78 13.171 -11.655 1.704 1.00 0.81 H new ATOM 0 HB2 GLU A 78 14.478 -14.302 1.432 1.00 0.93 H new ATOM 0 HB3 GLU A 78 13.002 -14.362 2.374 1.00 0.93 H new ATOM 0 HG2 GLU A 78 11.812 -13.115 0.521 1.00 1.20 H new ATOM 0 HG3 GLU A 78 13.285 -13.169 -0.427 1.00 1.20 H new ATOM 1152 N VAL A 79 14.582 -12.547 4.509 1.00 0.78 N ATOM 1153 CA VAL A 79 14.394 -12.564 5.954 1.00 0.79 C ATOM 1154 C VAL A 79 14.074 -11.159 6.455 1.00 0.70 C ATOM 1155 O VAL A 79 13.311 -10.975 7.404 1.00 0.71 O ATOM 1156 CB VAL A 79 15.657 -13.146 6.613 1.00 0.92 C ATOM 1157 CG1 VAL A 79 15.675 -12.972 8.134 1.00 0.96 C ATOM 1158 CG2 VAL A 79 15.761 -14.639 6.285 1.00 1.00 C ATOM 0 H VAL A 79 15.544 -12.702 4.206 1.00 0.78 H new ATOM 0 HA VAL A 79 13.549 -13.197 6.222 1.00 0.79 H new ATOM 0 HB VAL A 79 16.506 -12.593 6.211 1.00 0.92 H new ATOM 0 HG11 VAL A 79 16.591 -13.403 8.539 1.00 0.96 H new ATOM 0 HG12 VAL A 79 15.634 -11.911 8.379 1.00 0.96 H new ATOM 0 HG13 VAL A 79 14.813 -13.478 8.568 1.00 0.96 H new ATOM 0 HG21 VAL A 79 16.655 -15.053 6.751 1.00 1.00 H new ATOM 0 HG22 VAL A 79 14.881 -15.157 6.665 1.00 1.00 H new ATOM 0 HG23 VAL A 79 15.821 -14.771 5.205 1.00 1.00 H new ATOM 1168 N GLU A 80 14.696 -10.145 5.864 1.00 0.68 N ATOM 1169 CA GLU A 80 14.477 -8.777 6.285 1.00 0.62 C ATOM 1170 C GLU A 80 13.244 -8.206 5.610 1.00 0.54 C ATOM 1171 O GLU A 80 12.502 -7.472 6.247 1.00 0.50 O ATOM 1172 CB GLU A 80 15.745 -7.962 6.041 1.00 0.66 C ATOM 1173 CG GLU A 80 15.639 -6.585 6.703 1.00 0.75 C ATOM 1174 CD GLU A 80 17.034 -6.027 6.978 1.00 1.65 C ATOM 1175 OE1 GLU A 80 17.515 -6.255 8.109 1.00 2.24 O ATOM 1176 OE2 GLU A 80 17.607 -5.425 6.045 1.00 3.11 O ATOM 0 H GLU A 80 15.355 -10.250 5.092 1.00 0.68 H new ATOM 0 HA GLU A 80 14.275 -8.736 7.355 1.00 0.62 H new ATOM 0 HB2 GLU A 80 16.609 -8.496 6.437 1.00 0.66 H new ATOM 0 HB3 GLU A 80 15.907 -7.844 4.970 1.00 0.66 H new ATOM 0 HG2 GLU A 80 15.087 -5.903 6.056 1.00 0.75 H new ATOM 0 HG3 GLU A 80 15.080 -6.663 7.635 1.00 0.75 H new ATOM 1183 N GLY A 81 12.976 -8.576 4.360 1.00 0.58 N ATOM 1184 CA GLY A 81 11.796 -8.121 3.654 1.00 0.57 C ATOM 1185 C GLY A 81 10.543 -8.823 4.136 1.00 0.58 C ATOM 1186 O GLY A 81 9.470 -8.256 4.011 1.00 0.56 O ATOM 0 H GLY A 81 13.573 -9.198 3.815 1.00 0.58 H new ATOM 0 HA2 GLY A 81 11.684 -7.045 3.789 1.00 0.57 H new ATOM 0 HA3 GLY A 81 11.922 -8.296 2.586 1.00 0.57 H new ATOM 1190 N ASP A 82 10.642 -10.031 4.688 1.00 0.65 N ATOM 1191 CA ASP A 82 9.511 -10.681 5.336 1.00 0.70 C ATOM 1192 C ASP A 82 9.088 -9.828 6.520 1.00 0.63 C ATOM 1193 O ASP A 82 7.947 -9.382 6.610 1.00 0.62 O ATOM 1194 CB ASP A 82 9.912 -12.086 5.801 1.00 0.81 C ATOM 1195 CG ASP A 82 8.928 -12.644 6.826 1.00 0.93 C ATOM 1196 OD1 ASP A 82 7.767 -12.884 6.432 1.00 1.85 O ATOM 1197 OD2 ASP A 82 9.356 -12.804 7.991 1.00 1.57 O ATOM 0 H ASP A 82 11.501 -10.580 4.698 1.00 0.65 H new ATOM 0 HA ASP A 82 8.680 -10.781 4.638 1.00 0.70 H new ATOM 0 HB2 ASP A 82 9.960 -12.754 4.941 1.00 0.81 H new ATOM 0 HB3 ASP A 82 10.911 -12.054 6.236 1.00 0.81 H new ATOM 1202 N LYS A 83 10.035 -9.547 7.413 1.00 0.60 N ATOM 1203 CA LYS A 83 9.708 -8.794 8.612 1.00 0.58 C ATOM 1204 C LYS A 83 9.258 -7.400 8.240 1.00 0.46 C ATOM 1205 O LYS A 83 8.261 -6.944 8.768 1.00 0.46 O ATOM 1206 CB LYS A 83 10.876 -8.767 9.596 1.00 0.69 C ATOM 1207 CG LYS A 83 10.776 -10.010 10.489 1.00 0.91 C ATOM 1208 CD LYS A 83 11.961 -10.201 11.443 1.00 1.17 C ATOM 1209 CE LYS A 83 13.118 -10.960 10.785 1.00 2.22 C ATOM 1210 NZ LYS A 83 13.938 -10.103 9.909 1.00 3.31 N ATOM 0 H LYS A 83 11.013 -9.824 7.329 1.00 0.60 H new ATOM 0 HA LYS A 83 8.885 -9.296 9.120 1.00 0.58 H new ATOM 0 HB2 LYS A 83 11.825 -8.759 9.060 1.00 0.69 H new ATOM 0 HB3 LYS A 83 10.844 -7.861 10.200 1.00 0.69 H new ATOM 0 HG2 LYS A 83 9.859 -9.948 11.075 1.00 0.91 H new ATOM 0 HG3 LYS A 83 10.690 -10.892 9.855 1.00 0.91 H new ATOM 0 HD2 LYS A 83 12.314 -9.227 11.781 1.00 1.17 H new ATOM 0 HD3 LYS A 83 11.629 -10.744 12.328 1.00 1.17 H new ATOM 0 HE2 LYS A 83 13.751 -11.391 11.560 1.00 2.22 H new ATOM 0 HE3 LYS A 83 12.718 -11.790 10.203 1.00 2.22 H new ATOM 0 HZ1 LYS A 83 14.937 -10.379 9.990 1.00 3.31 H new ATOM 0 HZ2 LYS A 83 13.627 -10.216 8.923 1.00 3.31 H new ATOM 0 HZ3 LYS A 83 13.829 -9.109 10.195 1.00 3.31 H new ATOM 1224 N GLN A 84 9.952 -6.727 7.331 1.00 0.42 N ATOM 1225 CA GLN A 84 9.611 -5.371 6.939 1.00 0.40 C ATOM 1226 C GLN A 84 8.257 -5.354 6.234 1.00 0.40 C ATOM 1227 O GLN A 84 7.493 -4.412 6.410 1.00 0.41 O ATOM 1228 CB GLN A 84 10.699 -4.816 6.025 1.00 0.48 C ATOM 1229 CG GLN A 84 11.977 -4.466 6.808 1.00 1.72 C ATOM 1230 CD GLN A 84 11.948 -3.052 7.392 1.00 2.56 C ATOM 1231 OE1 GLN A 84 11.381 -2.134 6.807 1.00 2.25 O ATOM 1232 NE2 GLN A 84 12.591 -2.843 8.531 1.00 3.86 N ATOM 0 H GLN A 84 10.765 -7.108 6.847 1.00 0.42 H new ATOM 0 HA GLN A 84 9.542 -4.743 7.827 1.00 0.40 H new ATOM 0 HB2 GLN A 84 10.934 -5.549 5.253 1.00 0.48 H new ATOM 0 HB3 GLN A 84 10.328 -3.926 5.517 1.00 0.48 H new ATOM 0 HG2 GLN A 84 12.110 -5.185 7.616 1.00 1.72 H new ATOM 0 HG3 GLN A 84 12.839 -4.564 6.149 1.00 1.72 H new ATOM 0 HE21 GLN A 84 13.057 -3.618 9.003 1.00 3.86 H new ATOM 0 HE22 GLN A 84 12.621 -1.907 8.936 1.00 3.86 H new ATOM 1241 N LEU A 85 7.928 -6.382 5.449 1.00 0.44 N ATOM 1242 CA LEU A 85 6.614 -6.453 4.818 1.00 0.48 C ATOM 1243 C LEU A 85 5.550 -6.578 5.905 1.00 0.46 C ATOM 1244 O LEU A 85 4.508 -5.932 5.835 1.00 0.46 O ATOM 1245 CB LEU A 85 6.574 -7.607 3.801 1.00 0.59 C ATOM 1246 CG LEU A 85 5.259 -7.749 3.017 1.00 0.60 C ATOM 1247 CD1 LEU A 85 4.852 -6.423 2.365 1.00 0.90 C ATOM 1248 CD2 LEU A 85 5.440 -8.795 1.913 1.00 0.93 C ATOM 0 H LEU A 85 8.546 -7.166 5.239 1.00 0.44 H new ATOM 0 HA LEU A 85 6.408 -5.542 4.256 1.00 0.48 H new ATOM 0 HB2 LEU A 85 7.389 -7.470 3.090 1.00 0.59 H new ATOM 0 HB3 LEU A 85 6.765 -8.541 4.329 1.00 0.59 H new ATOM 0 HG LEU A 85 4.480 -8.051 3.717 1.00 0.60 H new ATOM 0 HD11 LEU A 85 3.919 -6.558 1.819 1.00 0.90 H new ATOM 0 HD12 LEU A 85 4.715 -5.665 3.136 1.00 0.90 H new ATOM 0 HD13 LEU A 85 5.633 -6.102 1.676 1.00 0.90 H new ATOM 0 HD21 LEU A 85 4.510 -8.899 1.354 1.00 0.93 H new ATOM 0 HD22 LEU A 85 6.235 -8.478 1.238 1.00 0.93 H new ATOM 0 HD23 LEU A 85 5.704 -9.754 2.360 1.00 0.93 H new ATOM 1260 N ALA A 86 5.823 -7.369 6.943 1.00 0.47 N ATOM 1261 CA ALA A 86 4.898 -7.535 8.048 1.00 0.48 C ATOM 1262 C ALA A 86 4.895 -6.321 8.969 1.00 0.41 C ATOM 1263 O ALA A 86 3.905 -6.103 9.646 1.00 0.42 O ATOM 1264 CB ALA A 86 5.268 -8.791 8.839 1.00 0.57 C ATOM 0 H ALA A 86 6.686 -7.905 7.035 1.00 0.47 H new ATOM 0 HA ALA A 86 3.894 -7.638 7.636 1.00 0.48 H new ATOM 0 HB1 ALA A 86 4.573 -8.916 9.669 1.00 0.57 H new ATOM 0 HB2 ALA A 86 5.213 -9.662 8.186 1.00 0.57 H new ATOM 0 HB3 ALA A 86 6.282 -8.691 9.226 1.00 0.57 H new ATOM 1270 N GLU A 87 5.964 -5.528 9.014 1.00 0.38 N ATOM 1271 CA GLU A 87 6.064 -4.316 9.816 1.00 0.37 C ATOM 1272 C GLU A 87 5.257 -3.211 9.150 1.00 0.34 C ATOM 1273 O GLU A 87 4.581 -2.431 9.819 1.00 0.36 O ATOM 1274 CB GLU A 87 7.528 -3.883 9.955 1.00 0.36 C ATOM 1275 CG GLU A 87 8.229 -4.592 11.116 1.00 0.44 C ATOM 1276 CD GLU A 87 9.474 -3.817 11.548 1.00 0.75 C ATOM 1277 OE1 GLU A 87 9.386 -3.130 12.591 1.00 1.85 O ATOM 1278 OE2 GLU A 87 10.491 -3.913 10.824 1.00 2.06 O ATOM 0 H GLU A 87 6.809 -5.720 8.476 1.00 0.38 H new ATOM 0 HA GLU A 87 5.669 -4.512 10.813 1.00 0.37 H new ATOM 0 HB2 GLU A 87 8.059 -4.096 9.027 1.00 0.36 H new ATOM 0 HB3 GLU A 87 7.574 -2.805 10.108 1.00 0.36 H new ATOM 0 HG2 GLU A 87 7.543 -4.687 11.958 1.00 0.44 H new ATOM 0 HG3 GLU A 87 8.509 -5.602 10.817 1.00 0.44 H new ATOM 1285 N ALA A 88 5.292 -3.170 7.818 1.00 0.34 N ATOM 1286 CA ALA A 88 4.489 -2.244 7.046 1.00 0.37 C ATOM 1287 C ALA A 88 3.028 -2.586 7.305 1.00 0.36 C ATOM 1288 O ALA A 88 2.260 -1.753 7.777 1.00 0.39 O ATOM 1289 CB ALA A 88 4.850 -2.346 5.561 1.00 0.41 C ATOM 0 H ALA A 88 5.880 -3.781 7.251 1.00 0.34 H new ATOM 0 HA ALA A 88 4.677 -1.212 7.342 1.00 0.37 H new ATOM 0 HB1 ALA A 88 4.241 -1.646 4.990 1.00 0.41 H new ATOM 0 HB2 ALA A 88 5.904 -2.104 5.425 1.00 0.41 H new ATOM 0 HB3 ALA A 88 4.662 -3.361 5.210 1.00 0.41 H new ATOM 1295 N TYR A 89 2.657 -3.837 7.042 1.00 0.37 N ATOM 1296 CA TYR A 89 1.333 -4.372 7.279 1.00 0.38 C ATOM 1297 C TYR A 89 0.923 -4.300 8.746 1.00 0.37 C ATOM 1298 O TYR A 89 -0.259 -4.149 9.015 1.00 0.38 O ATOM 1299 CB TYR A 89 1.301 -5.804 6.728 1.00 0.43 C ATOM 1300 CG TYR A 89 1.252 -5.943 5.209 1.00 0.49 C ATOM 1301 CD1 TYR A 89 0.666 -4.955 4.386 1.00 1.71 C ATOM 1302 CD2 TYR A 89 1.797 -7.094 4.612 1.00 1.69 C ATOM 1303 CE1 TYR A 89 0.663 -5.098 2.988 1.00 1.74 C ATOM 1304 CE2 TYR A 89 1.777 -7.253 3.216 1.00 1.71 C ATOM 1305 CZ TYR A 89 1.221 -6.250 2.395 1.00 0.65 C ATOM 1306 OH TYR A 89 1.195 -6.402 1.040 1.00 0.73 O ATOM 0 H TYR A 89 3.298 -4.524 6.644 1.00 0.37 H new ATOM 0 HA TYR A 89 0.594 -3.762 6.760 1.00 0.38 H new ATOM 0 HB2 TYR A 89 2.184 -6.330 7.091 1.00 0.43 H new ATOM 0 HB3 TYR A 89 0.432 -6.312 7.146 1.00 0.43 H new ATOM 0 HD1 TYR A 89 0.216 -4.082 4.836 1.00 1.71 H new ATOM 0 HD2 TYR A 89 2.235 -7.862 5.232 1.00 1.69 H new ATOM 0 HE1 TYR A 89 0.233 -4.326 2.367 1.00 1.74 H new ATOM 0 HE2 TYR A 89 2.189 -8.146 2.770 1.00 1.71 H new ATOM 0 HH TYR A 89 0.901 -7.310 0.818 1.00 0.73 H new ATOM 1316 N GLU A 90 1.843 -4.343 9.705 1.00 0.38 N ATOM 1317 CA GLU A 90 1.517 -4.160 11.110 1.00 0.42 C ATOM 1318 C GLU A 90 1.175 -2.709 11.362 1.00 0.36 C ATOM 1319 O GLU A 90 0.214 -2.416 12.059 1.00 0.39 O ATOM 1320 CB GLU A 90 2.694 -4.547 12.012 1.00 0.57 C ATOM 1321 CG GLU A 90 2.625 -6.012 12.450 1.00 1.33 C ATOM 1322 CD GLU A 90 2.440 -6.082 13.965 1.00 1.81 C ATOM 1323 OE1 GLU A 90 3.424 -5.808 14.688 1.00 2.39 O ATOM 1324 OE2 GLU A 90 1.283 -6.235 14.414 1.00 2.55 O ATOM 0 H GLU A 90 2.834 -4.506 9.527 1.00 0.38 H new ATOM 0 HA GLU A 90 0.669 -4.804 11.344 1.00 0.42 H new ATOM 0 HB2 GLU A 90 3.630 -4.371 11.482 1.00 0.57 H new ATOM 0 HB3 GLU A 90 2.701 -3.905 12.893 1.00 0.57 H new ATOM 0 HG2 GLU A 90 1.798 -6.514 11.948 1.00 1.33 H new ATOM 0 HG3 GLU A 90 3.537 -6.533 12.160 1.00 1.33 H new ATOM 1331 N SER A 91 1.950 -1.785 10.809 1.00 0.34 N ATOM 1332 CA SER A 91 1.648 -0.381 10.973 1.00 0.33 C ATOM 1333 C SER A 91 0.289 -0.099 10.350 1.00 0.34 C ATOM 1334 O SER A 91 -0.501 0.649 10.911 1.00 0.37 O ATOM 1335 CB SER A 91 2.737 0.484 10.329 1.00 0.35 C ATOM 1336 OG SER A 91 4.013 0.259 10.896 1.00 0.93 O ATOM 0 H SER A 91 2.780 -1.985 10.251 1.00 0.34 H new ATOM 0 HA SER A 91 1.619 -0.132 12.034 1.00 0.33 H new ATOM 0 HB2 SER A 91 2.776 0.276 9.260 1.00 0.35 H new ATOM 0 HB3 SER A 91 2.474 1.536 10.440 1.00 0.35 H new ATOM 0 HG SER A 91 4.342 -0.622 10.622 1.00 0.93 H new ATOM 1342 N ILE A 92 0.002 -0.709 9.202 1.00 0.35 N ATOM 1343 CA ILE A 92 -1.191 -0.415 8.429 1.00 0.38 C ATOM 1344 C ILE A 92 -2.397 -1.083 9.087 1.00 0.41 C ATOM 1345 O ILE A 92 -3.484 -0.519 9.125 1.00 0.52 O ATOM 1346 CB ILE A 92 -0.953 -0.827 6.960 1.00 0.46 C ATOM 1347 CG1 ILE A 92 -0.557 0.396 6.121 1.00 0.50 C ATOM 1348 CG2 ILE A 92 -2.160 -1.452 6.278 1.00 0.59 C ATOM 1349 CD1 ILE A 92 0.892 0.772 6.375 1.00 0.86 C ATOM 0 H ILE A 92 0.597 -1.424 8.784 1.00 0.35 H new ATOM 0 HA ILE A 92 -1.411 0.653 8.415 1.00 0.38 H new ATOM 0 HB ILE A 92 -0.162 -1.575 7.010 1.00 0.46 H new ATOM 0 HG12 ILE A 92 -0.702 0.180 5.063 1.00 0.50 H new ATOM 0 HG13 ILE A 92 -1.205 1.237 6.366 1.00 0.50 H new ATOM 0 HG21 ILE A 92 -1.904 -1.711 5.251 1.00 0.59 H new ATOM 0 HG22 ILE A 92 -2.456 -2.353 6.816 1.00 0.59 H new ATOM 0 HG23 ILE A 92 -2.986 -0.741 6.278 1.00 0.59 H new ATOM 0 HD11 ILE A 92 1.154 1.641 5.771 1.00 0.86 H new ATOM 0 HD12 ILE A 92 1.027 1.009 7.430 1.00 0.86 H new ATOM 0 HD13 ILE A 92 1.537 -0.064 6.106 1.00 0.86 H new ATOM 1361 N ALA A 93 -2.223 -2.287 9.617 1.00 0.40 N ATOM 1362 CA ALA A 93 -3.315 -3.074 10.164 1.00 0.46 C ATOM 1363 C ALA A 93 -3.684 -2.505 11.523 1.00 0.47 C ATOM 1364 O ALA A 93 -4.860 -2.298 11.816 1.00 0.49 O ATOM 1365 CB ALA A 93 -2.925 -4.551 10.266 1.00 0.58 C ATOM 0 H ALA A 93 -1.314 -2.746 9.679 1.00 0.40 H new ATOM 0 HA ALA A 93 -4.179 -3.019 9.502 1.00 0.46 H new ATOM 0 HB1 ALA A 93 -3.759 -5.120 10.678 1.00 0.58 H new ATOM 0 HB2 ALA A 93 -2.681 -4.932 9.274 1.00 0.58 H new ATOM 0 HB3 ALA A 93 -2.058 -4.654 10.918 1.00 0.58 H new ATOM 1371 N LYS A 94 -2.677 -2.205 12.347 1.00 0.47 N ATOM 1372 CA LYS A 94 -2.912 -1.559 13.623 1.00 0.51 C ATOM 1373 C LYS A 94 -3.662 -0.264 13.384 1.00 0.50 C ATOM 1374 O LYS A 94 -4.696 -0.080 14.007 1.00 0.65 O ATOM 1375 CB LYS A 94 -1.616 -1.327 14.405 1.00 0.49 C ATOM 1376 CG LYS A 94 -1.036 -2.657 14.900 1.00 1.12 C ATOM 1377 CD LYS A 94 0.297 -2.436 15.622 1.00 1.69 C ATOM 1378 CE LYS A 94 1.095 -3.736 15.534 1.00 2.71 C ATOM 1379 NZ LYS A 94 2.450 -3.635 16.111 1.00 3.70 N ATOM 0 H LYS A 94 -1.697 -2.402 12.146 1.00 0.47 H new ATOM 0 HA LYS A 94 -3.517 -2.219 14.244 1.00 0.51 H new ATOM 0 HB2 LYS A 94 -0.888 -0.821 13.771 1.00 0.49 H new ATOM 0 HB3 LYS A 94 -1.810 -0.671 15.254 1.00 0.49 H new ATOM 0 HG2 LYS A 94 -1.744 -3.139 15.574 1.00 1.12 H new ATOM 0 HG3 LYS A 94 -0.890 -3.331 14.056 1.00 1.12 H new ATOM 0 HD2 LYS A 94 0.849 -1.616 15.162 1.00 1.69 H new ATOM 0 HD3 LYS A 94 0.127 -2.161 16.663 1.00 1.69 H new ATOM 0 HE2 LYS A 94 0.547 -4.525 16.049 1.00 2.71 H new ATOM 0 HE3 LYS A 94 1.175 -4.034 14.489 1.00 2.71 H new ATOM 0 HZ1 LYS A 94 3.055 -4.379 15.708 1.00 3.70 H new ATOM 0 HZ2 LYS A 94 2.853 -2.702 15.889 1.00 3.70 H new ATOM 0 HZ3 LYS A 94 2.398 -3.753 17.143 1.00 3.70 H new ATOM 1393 N ILE A 95 -3.216 0.622 12.486 1.00 0.39 N ATOM 1394 CA ILE A 95 -3.913 1.888 12.366 1.00 0.52 C ATOM 1395 C ILE A 95 -5.306 1.718 11.764 1.00 0.39 C ATOM 1396 O ILE A 95 -6.215 2.475 12.087 1.00 0.49 O ATOM 1397 CB ILE A 95 -3.090 2.892 11.567 1.00 0.72 C ATOM 1398 CG1 ILE A 95 -2.912 2.494 10.094 1.00 2.15 C ATOM 1399 CG2 ILE A 95 -1.798 3.242 12.320 1.00 2.99 C ATOM 1400 CD1 ILE A 95 -1.979 3.408 9.298 1.00 1.92 C ATOM 0 H ILE A 95 -2.417 0.490 11.866 1.00 0.39 H new ATOM 0 HA ILE A 95 -4.044 2.281 13.374 1.00 0.52 H new ATOM 0 HB ILE A 95 -3.653 3.822 11.492 1.00 0.72 H new ATOM 0 HG12 ILE A 95 -2.526 1.475 10.050 1.00 2.15 H new ATOM 0 HG13 ILE A 95 -3.890 2.486 9.612 1.00 2.15 H new ATOM 0 HG21 ILE A 95 -1.220 3.960 11.738 1.00 2.99 H new ATOM 0 HG22 ILE A 95 -2.047 3.677 13.288 1.00 2.99 H new ATOM 0 HG23 ILE A 95 -1.208 2.338 12.470 1.00 2.99 H new ATOM 0 HD11 ILE A 95 -1.912 3.053 8.270 1.00 1.92 H new ATOM 0 HD12 ILE A 95 -2.372 4.425 9.306 1.00 1.92 H new ATOM 0 HD13 ILE A 95 -0.987 3.399 9.750 1.00 1.92 H new ATOM 1412 N VAL A 96 -5.496 0.725 10.900 1.00 0.38 N ATOM 1413 CA VAL A 96 -6.793 0.426 10.312 1.00 0.47 C ATOM 1414 C VAL A 96 -7.763 0.052 11.425 1.00 0.60 C ATOM 1415 O VAL A 96 -8.938 0.410 11.392 1.00 0.66 O ATOM 1416 CB VAL A 96 -6.625 -0.693 9.263 1.00 0.64 C ATOM 1417 CG1 VAL A 96 -7.912 -1.475 8.973 1.00 0.87 C ATOM 1418 CG2 VAL A 96 -6.108 -0.126 7.934 1.00 0.69 C ATOM 0 H VAL A 96 -4.750 0.104 10.588 1.00 0.38 H new ATOM 0 HA VAL A 96 -7.205 1.293 9.796 1.00 0.47 H new ATOM 0 HB VAL A 96 -5.905 -1.382 9.705 1.00 0.64 H new ATOM 0 HG11 VAL A 96 -7.711 -2.243 8.226 1.00 0.87 H new ATOM 0 HG12 VAL A 96 -8.267 -1.945 9.890 1.00 0.87 H new ATOM 0 HG13 VAL A 96 -8.675 -0.794 8.596 1.00 0.87 H new ATOM 0 HG21 VAL A 96 -5.998 -0.935 7.212 1.00 0.69 H new ATOM 0 HG22 VAL A 96 -6.817 0.608 7.551 1.00 0.69 H new ATOM 0 HG23 VAL A 96 -5.141 0.352 8.094 1.00 0.69 H new ATOM 1428 N ASN A 97 -7.266 -0.672 12.421 1.00 0.72 N ATOM 1429 CA ASN A 97 -8.087 -1.197 13.495 1.00 1.00 C ATOM 1430 C ASN A 97 -8.340 -0.102 14.519 1.00 1.06 C ATOM 1431 O ASN A 97 -9.433 0.014 15.067 1.00 1.26 O ATOM 1432 CB ASN A 97 -7.345 -2.363 14.148 1.00 1.18 C ATOM 1433 CG ASN A 97 -8.272 -3.264 14.951 1.00 0.86 C ATOM 1434 OD1 ASN A 97 -9.467 -3.019 15.066 1.00 1.59 O ATOM 1435 ND2 ASN A 97 -7.737 -4.354 15.484 1.00 1.32 N ATOM 0 H ASN A 97 -6.278 -0.910 12.503 1.00 0.72 H new ATOM 0 HA ASN A 97 -9.045 -1.543 13.105 1.00 1.00 H new ATOM 0 HB2 ASN A 97 -6.849 -2.952 13.377 1.00 1.18 H new ATOM 0 HB3 ASN A 97 -6.565 -1.973 14.802 1.00 1.18 H new ATOM 0 HD21 ASN A 97 -8.323 -5.009 16.002 1.00 1.32 H new ATOM 0 HD22 ASN A 97 -6.740 -4.538 15.376 1.00 1.32 H new ATOM 1442 N ASP A 98 -7.318 0.724 14.740 1.00 0.94 N ATOM 1443 CA ASP A 98 -7.304 1.810 15.711 1.00 1.11 C ATOM 1444 C ASP A 98 -8.344 2.839 15.292 1.00 1.15 C ATOM 1445 O ASP A 98 -9.193 3.264 16.073 1.00 1.48 O ATOM 1446 CB ASP A 98 -5.897 2.420 15.751 1.00 1.05 C ATOM 1447 CG ASP A 98 -5.704 3.364 16.932 1.00 1.48 C ATOM 1448 OD1 ASP A 98 -6.296 4.463 16.894 1.00 2.45 O ATOM 1449 OD2 ASP A 98 -4.936 2.981 17.842 1.00 2.30 O ATOM 0 H ASP A 98 -6.442 0.649 14.224 1.00 0.94 H new ATOM 0 HA ASP A 98 -7.549 1.452 16.711 1.00 1.11 H new ATOM 0 HB2 ASP A 98 -5.159 1.620 15.805 1.00 1.05 H new ATOM 0 HB3 ASP A 98 -5.713 2.961 14.823 1.00 1.05 H new ATOM 1454 N ASN A 99 -8.335 3.174 14.001 1.00 0.89 N ATOM 1455 CA ASN A 99 -9.313 4.081 13.430 1.00 0.93 C ATOM 1456 C ASN A 99 -10.624 3.340 13.182 1.00 0.98 C ATOM 1457 O ASN A 99 -11.656 3.963 12.930 1.00 1.11 O ATOM 1458 CB ASN A 99 -8.768 4.637 12.117 1.00 0.84 C ATOM 1459 CG ASN A 99 -9.198 6.080 11.864 1.00 1.25 C ATOM 1460 OD1 ASN A 99 -8.408 6.894 11.400 1.00 1.04 O ATOM 1461 ND2 ASN A 99 -10.452 6.435 12.103 1.00 2.70 N ATOM 0 H ASN A 99 -7.651 2.823 13.331 1.00 0.89 H new ATOM 0 HA ASN A 99 -9.502 4.902 14.122 1.00 0.93 H new ATOM 0 HB2 ASN A 99 -7.679 4.583 12.129 1.00 0.84 H new ATOM 0 HB3 ASN A 99 -9.109 4.011 11.293 1.00 0.84 H new ATOM 0 HD21 ASN A 99 -10.760 7.386 11.901 1.00 2.70 H new ATOM 0 HD22 ASN A 99 -11.109 5.757 12.489 1.00 2.70 H new ATOM 1468 N ASN A 100 -10.576 2.008 13.228 1.00 0.97 N ATOM 1469 CA ASN A 100 -11.718 1.126 13.093 1.00 1.06 C ATOM 1470 C ASN A 100 -12.433 1.390 11.777 1.00 0.87 C ATOM 1471 O ASN A 100 -13.649 1.587 11.706 1.00 0.87 O ATOM 1472 CB ASN A 100 -12.596 1.258 14.338 1.00 1.37 C ATOM 1473 CG ASN A 100 -13.136 -0.097 14.760 1.00 1.72 C ATOM 1474 OD1 ASN A 100 -14.330 -0.355 14.675 1.00 1.65 O ATOM 1475 ND2 ASN A 100 -12.255 -0.983 15.211 1.00 2.96 N ATOM 0 H ASN A 100 -9.701 1.502 13.366 1.00 0.97 H new ATOM 0 HA ASN A 100 -11.410 0.082 13.043 1.00 1.06 H new ATOM 0 HB2 ASN A 100 -12.018 1.694 15.152 1.00 1.37 H new ATOM 0 HB3 ASN A 100 -13.424 1.938 14.135 1.00 1.37 H new ATOM 0 HD21 ASN A 100 -12.566 -1.911 15.499 1.00 2.96 H new ATOM 0 HD22 ASN A 100 -11.267 -0.736 15.269 1.00 2.96 H new ATOM 1482 N TYR A 101 -11.638 1.415 10.710 1.00 0.75 N ATOM 1483 CA TYR A 101 -12.169 1.500 9.364 1.00 0.73 C ATOM 1484 C TYR A 101 -13.009 0.274 9.042 1.00 0.92 C ATOM 1485 O TYR A 101 -12.736 -0.838 9.480 1.00 1.23 O ATOM 1486 CB TYR A 101 -11.049 1.638 8.346 1.00 0.84 C ATOM 1487 CG TYR A 101 -10.112 2.812 8.551 1.00 0.72 C ATOM 1488 CD1 TYR A 101 -8.742 2.641 8.298 1.00 1.88 C ATOM 1489 CD2 TYR A 101 -10.595 4.076 8.939 1.00 1.60 C ATOM 1490 CE1 TYR A 101 -7.847 3.716 8.414 1.00 1.98 C ATOM 1491 CE2 TYR A 101 -9.716 5.172 9.010 1.00 1.67 C ATOM 1492 CZ TYR A 101 -8.332 4.992 8.769 1.00 1.05 C ATOM 1493 OH TYR A 101 -7.461 6.033 8.874 1.00 1.39 O ATOM 0 H TYR A 101 -10.620 1.377 10.759 1.00 0.75 H new ATOM 0 HA TYR A 101 -12.800 2.387 9.310 1.00 0.73 H new ATOM 0 HB2 TYR A 101 -10.460 0.721 8.356 1.00 0.84 H new ATOM 0 HB3 TYR A 101 -11.493 1.721 7.354 1.00 0.84 H new ATOM 0 HD1 TYR A 101 -8.371 1.668 8.010 1.00 1.88 H new ATOM 0 HD2 TYR A 101 -11.639 4.204 9.182 1.00 1.60 H new ATOM 0 HE1 TYR A 101 -6.793 3.567 8.232 1.00 1.98 H new ATOM 0 HE2 TYR A 101 -10.098 6.154 9.249 1.00 1.67 H new ATOM 0 HH TYR A 101 -7.625 6.513 9.712 1.00 1.39 H new ATOM 1503 N LYS A 102 -14.045 0.511 8.242 1.00 0.91 N ATOM 1504 CA LYS A 102 -14.958 -0.502 7.761 1.00 1.18 C ATOM 1505 C LYS A 102 -14.443 -1.052 6.436 1.00 0.99 C ATOM 1506 O LYS A 102 -14.686 -2.210 6.125 1.00 1.22 O ATOM 1507 CB LYS A 102 -16.358 0.108 7.608 1.00 1.52 C ATOM 1508 CG LYS A 102 -17.157 0.127 8.921 1.00 1.85 C ATOM 1509 CD LYS A 102 -16.454 0.723 10.149 1.00 2.39 C ATOM 1510 CE LYS A 102 -15.961 2.157 9.917 1.00 2.56 C ATOM 1511 NZ LYS A 102 -16.028 2.964 11.151 1.00 3.43 N ATOM 0 H LYS A 102 -14.273 1.446 7.904 1.00 0.91 H new ATOM 0 HA LYS A 102 -15.022 -1.326 8.472 1.00 1.18 H new ATOM 0 HB2 LYS A 102 -16.264 1.127 7.233 1.00 1.52 H new ATOM 0 HB3 LYS A 102 -16.914 -0.457 6.860 1.00 1.52 H new ATOM 0 HG2 LYS A 102 -18.077 0.686 8.751 1.00 1.85 H new ATOM 0 HG3 LYS A 102 -17.446 -0.897 9.158 1.00 1.85 H new ATOM 0 HD2 LYS A 102 -17.141 0.713 10.995 1.00 2.39 H new ATOM 0 HD3 LYS A 102 -15.607 0.092 10.418 1.00 2.39 H new ATOM 0 HE2 LYS A 102 -14.934 2.134 9.553 1.00 2.56 H new ATOM 0 HE3 LYS A 102 -16.564 2.628 9.141 1.00 2.56 H new ATOM 0 HZ1 LYS A 102 -16.003 3.975 10.907 1.00 3.43 H new ATOM 0 HZ2 LYS A 102 -16.911 2.752 11.657 1.00 3.43 H new ATOM 0 HZ3 LYS A 102 -15.217 2.735 11.760 1.00 3.43 H new ATOM 1525 N SER A 103 -13.736 -0.230 5.659 1.00 0.72 N ATOM 1526 CA SER A 103 -13.250 -0.618 4.345 1.00 0.65 C ATOM 1527 C SER A 103 -12.214 0.406 3.900 1.00 0.61 C ATOM 1528 O SER A 103 -12.465 1.593 4.099 1.00 0.87 O ATOM 1529 CB SER A 103 -14.436 -0.603 3.372 1.00 0.91 C ATOM 1530 OG SER A 103 -15.139 0.624 3.481 1.00 1.34 O ATOM 0 H SER A 103 -13.487 0.722 5.928 1.00 0.72 H new ATOM 0 HA SER A 103 -12.803 -1.612 4.369 1.00 0.65 H new ATOM 0 HB2 SER A 103 -14.080 -0.738 2.351 1.00 0.91 H new ATOM 0 HB3 SER A 103 -15.105 -1.435 3.589 1.00 0.91 H new ATOM 0 HG SER A 103 -14.504 1.350 3.654 1.00 1.34 H new ATOM 1536 N VAL A 104 -11.097 -0.010 3.295 1.00 0.47 N ATOM 1537 CA VAL A 104 -10.095 0.923 2.785 1.00 0.57 C ATOM 1538 C VAL A 104 -9.482 0.377 1.500 1.00 0.49 C ATOM 1539 O VAL A 104 -9.324 -0.836 1.349 1.00 0.51 O ATOM 1540 CB VAL A 104 -9.010 1.176 3.848 1.00 0.74 C ATOM 1541 CG1 VAL A 104 -7.826 1.972 3.289 1.00 1.53 C ATOM 1542 CG2 VAL A 104 -9.596 1.957 5.024 1.00 1.82 C ATOM 0 H VAL A 104 -10.866 -0.992 3.147 1.00 0.47 H new ATOM 0 HA VAL A 104 -10.576 1.875 2.560 1.00 0.57 H new ATOM 0 HB VAL A 104 -8.654 0.198 4.171 1.00 0.74 H new ATOM 0 HG11 VAL A 104 -7.087 2.125 4.075 1.00 1.53 H new ATOM 0 HG12 VAL A 104 -7.372 1.419 2.467 1.00 1.53 H new ATOM 0 HG13 VAL A 104 -8.176 2.939 2.926 1.00 1.53 H new ATOM 0 HG21 VAL A 104 -8.819 2.130 5.769 1.00 1.82 H new ATOM 0 HG22 VAL A 104 -9.979 2.914 4.670 1.00 1.82 H new ATOM 0 HG23 VAL A 104 -10.408 1.385 5.472 1.00 1.82 H new ATOM 1552 N ALA A 105 -9.105 1.286 0.596 1.00 0.53 N ATOM 1553 CA ALA A 105 -8.393 0.954 -0.620 1.00 0.49 C ATOM 1554 C ALA A 105 -6.891 0.934 -0.329 1.00 0.48 C ATOM 1555 O ALA A 105 -6.243 1.977 -0.241 1.00 0.62 O ATOM 1556 CB ALA A 105 -8.759 1.963 -1.710 1.00 0.59 C ATOM 0 H ALA A 105 -9.293 2.283 0.699 1.00 0.53 H new ATOM 0 HA ALA A 105 -8.676 -0.036 -0.979 1.00 0.49 H new ATOM 0 HB1 ALA A 105 -8.225 1.717 -2.628 1.00 0.59 H new ATOM 0 HB2 ALA A 105 -9.833 1.926 -1.894 1.00 0.59 H new ATOM 0 HB3 ALA A 105 -8.480 2.966 -1.386 1.00 0.59 H new ATOM 1562 N ILE A 106 -6.337 -0.268 -0.192 1.00 0.55 N ATOM 1563 CA ILE A 106 -4.951 -0.534 0.133 1.00 0.70 C ATOM 1564 C ILE A 106 -4.317 -1.229 -1.076 1.00 0.78 C ATOM 1565 O ILE A 106 -4.735 -2.326 -1.432 1.00 1.05 O ATOM 1566 CB ILE A 106 -4.895 -1.355 1.449 1.00 0.99 C ATOM 1567 CG1 ILE A 106 -3.497 -1.921 1.736 1.00 1.95 C ATOM 1568 CG2 ILE A 106 -5.874 -2.539 1.477 1.00 1.17 C ATOM 1569 CD1 ILE A 106 -2.486 -0.846 2.118 1.00 3.25 C ATOM 0 H ILE A 106 -6.878 -1.124 -0.313 1.00 0.55 H new ATOM 0 HA ILE A 106 -4.376 0.372 0.321 1.00 0.70 H new ATOM 0 HB ILE A 106 -5.177 -0.630 2.213 1.00 0.99 H new ATOM 0 HG12 ILE A 106 -3.565 -2.651 2.543 1.00 1.95 H new ATOM 0 HG13 ILE A 106 -3.138 -2.453 0.855 1.00 1.95 H new ATOM 0 HG21 ILE A 106 -5.780 -3.067 2.426 1.00 1.17 H new ATOM 0 HG22 ILE A 106 -6.894 -2.171 1.367 1.00 1.17 H new ATOM 0 HG23 ILE A 106 -5.644 -3.221 0.658 1.00 1.17 H new ATOM 0 HD11 ILE A 106 -1.518 -1.309 2.309 1.00 3.25 H new ATOM 0 HD12 ILE A 106 -2.392 -0.129 1.302 1.00 3.25 H new ATOM 0 HD13 ILE A 106 -2.825 -0.331 3.017 1.00 3.25 H new ATOM 1581 N PRO A 107 -3.332 -0.616 -1.749 1.00 0.72 N ATOM 1582 CA PRO A 107 -2.638 -1.258 -2.851 1.00 0.87 C ATOM 1583 C PRO A 107 -1.652 -2.298 -2.311 1.00 1.11 C ATOM 1584 O PRO A 107 -1.546 -2.520 -1.106 1.00 1.29 O ATOM 1585 CB PRO A 107 -1.942 -0.117 -3.592 1.00 0.81 C ATOM 1586 CG PRO A 107 -1.607 0.857 -2.467 1.00 0.81 C ATOM 1587 CD PRO A 107 -2.791 0.709 -1.508 1.00 0.74 C ATOM 0 HA PRO A 107 -3.303 -1.803 -3.521 1.00 0.87 H new ATOM 0 HB2 PRO A 107 -1.047 -0.458 -4.112 1.00 0.81 H new ATOM 0 HB3 PRO A 107 -2.592 0.336 -4.340 1.00 0.81 H new ATOM 0 HG2 PRO A 107 -0.664 0.604 -1.983 1.00 0.81 H new ATOM 0 HG3 PRO A 107 -1.512 1.879 -2.835 1.00 0.81 H new ATOM 0 HD2 PRO A 107 -2.471 0.818 -0.472 1.00 0.74 H new ATOM 0 HD3 PRO A 107 -3.542 1.477 -1.692 1.00 0.74 H new ATOM 1595 N LEU A 108 -0.905 -2.940 -3.208 1.00 1.25 N ATOM 1596 CA LEU A 108 0.010 -4.012 -2.877 1.00 1.45 C ATOM 1597 C LEU A 108 1.405 -3.530 -3.231 1.00 1.28 C ATOM 1598 O LEU A 108 1.580 -2.768 -4.179 1.00 1.28 O ATOM 1599 CB LEU A 108 -0.358 -5.260 -3.684 1.00 1.72 C ATOM 1600 CG LEU A 108 -1.696 -5.844 -3.206 1.00 1.95 C ATOM 1601 CD1 LEU A 108 -2.564 -6.255 -4.391 1.00 2.15 C ATOM 1602 CD2 LEU A 108 -1.462 -7.072 -2.343 1.00 2.21 C ATOM 0 H LEU A 108 -0.925 -2.719 -4.204 1.00 1.25 H new ATOM 0 HA LEU A 108 -0.040 -4.272 -1.820 1.00 1.45 H new ATOM 0 HB2 LEU A 108 -0.424 -5.008 -4.742 1.00 1.72 H new ATOM 0 HB3 LEU A 108 0.428 -6.009 -3.583 1.00 1.72 H new ATOM 0 HG LEU A 108 -2.202 -5.070 -2.629 1.00 1.95 H new ATOM 0 HD11 LEU A 108 -3.506 -6.666 -4.027 1.00 2.15 H new ATOM 0 HD12 LEU A 108 -2.765 -5.384 -5.014 1.00 2.15 H new ATOM 0 HD13 LEU A 108 -2.043 -7.010 -4.979 1.00 2.15 H new ATOM 0 HD21 LEU A 108 -2.420 -7.473 -2.013 1.00 2.21 H new ATOM 0 HD22 LEU A 108 -0.932 -7.828 -2.922 1.00 2.21 H new ATOM 0 HD23 LEU A 108 -0.865 -6.797 -1.473 1.00 2.21 H new ATOM 1614 N LEU A 109 2.386 -3.984 -2.461 1.00 1.29 N ATOM 1615 CA LEU A 109 3.787 -3.684 -2.683 1.00 1.20 C ATOM 1616 C LEU A 109 4.453 -4.963 -3.193 1.00 0.93 C ATOM 1617 O LEU A 109 3.777 -5.962 -3.436 1.00 0.92 O ATOM 1618 CB LEU A 109 4.440 -3.137 -1.399 1.00 1.64 C ATOM 1619 CG LEU A 109 3.770 -1.857 -0.857 1.00 1.54 C ATOM 1620 CD1 LEU A 109 2.593 -2.155 0.083 1.00 1.67 C ATOM 1621 CD2 LEU A 109 4.791 -1.032 -0.069 1.00 2.07 C ATOM 0 H LEU A 109 2.223 -4.582 -1.651 1.00 1.29 H new ATOM 0 HA LEU A 109 3.909 -2.898 -3.429 1.00 1.20 H new ATOM 0 HB2 LEU A 109 4.407 -3.908 -0.629 1.00 1.64 H new ATOM 0 HB3 LEU A 109 5.492 -2.930 -1.597 1.00 1.64 H new ATOM 0 HG LEU A 109 3.396 -1.314 -1.725 1.00 1.54 H new ATOM 0 HD11 LEU A 109 2.161 -1.218 0.433 1.00 1.67 H new ATOM 0 HD12 LEU A 109 1.835 -2.726 -0.453 1.00 1.67 H new ATOM 0 HD13 LEU A 109 2.947 -2.733 0.937 1.00 1.67 H new ATOM 0 HD21 LEU A 109 4.313 -0.129 0.312 1.00 2.07 H new ATOM 0 HD22 LEU A 109 5.169 -1.622 0.766 1.00 2.07 H new ATOM 0 HD23 LEU A 109 5.619 -0.756 -0.723 1.00 2.07 H new ATOM 1633 N SER A 110 5.774 -4.934 -3.380 1.00 0.98 N ATOM 1634 CA SER A 110 6.555 -6.074 -3.854 1.00 1.04 C ATOM 1635 C SER A 110 6.092 -6.616 -5.216 1.00 1.10 C ATOM 1636 O SER A 110 6.379 -7.757 -5.570 1.00 1.55 O ATOM 1637 CB SER A 110 6.648 -7.167 -2.778 1.00 1.36 C ATOM 1638 OG SER A 110 5.976 -6.829 -1.581 1.00 1.54 O ATOM 0 H SER A 110 6.339 -4.103 -3.203 1.00 0.98 H new ATOM 0 HA SER A 110 7.565 -5.705 -4.035 1.00 1.04 H new ATOM 0 HB2 SER A 110 6.230 -8.093 -3.173 1.00 1.36 H new ATOM 0 HB3 SER A 110 7.697 -7.361 -2.556 1.00 1.36 H new ATOM 0 HG SER A 110 5.160 -7.366 -1.501 1.00 1.54 H new ATOM 1644 N THR A 111 5.443 -5.792 -6.038 1.00 1.06 N ATOM 1645 CA THR A 111 4.859 -6.229 -7.302 1.00 1.38 C ATOM 1646 C THR A 111 5.069 -5.194 -8.406 1.00 1.93 C ATOM 1647 O THR A 111 4.386 -5.222 -9.425 1.00 2.78 O ATOM 1648 CB THR A 111 3.370 -6.464 -7.056 1.00 1.45 C ATOM 1649 OG1 THR A 111 2.888 -5.394 -6.265 1.00 2.05 O ATOM 1650 CG2 THR A 111 3.140 -7.792 -6.334 1.00 1.35 C ATOM 0 H THR A 111 5.308 -4.800 -5.844 1.00 1.06 H new ATOM 0 HA THR A 111 5.345 -7.144 -7.641 1.00 1.38 H new ATOM 0 HB THR A 111 2.841 -6.509 -8.008 1.00 1.45 H new ATOM 0 HG1 THR A 111 3.081 -5.572 -5.321 1.00 2.05 H new ATOM 0 HG21 THR A 111 2.072 -7.937 -6.170 1.00 1.35 H new ATOM 0 HG22 THR A 111 3.528 -8.609 -6.943 1.00 1.35 H new ATOM 0 HG23 THR A 111 3.656 -7.778 -5.374 1.00 1.35 H new ATOM 1658 N GLY A 112 6.035 -4.293 -8.224 1.00 2.24 N ATOM 1659 CA GLY A 112 6.381 -3.288 -9.213 1.00 2.83 C ATOM 1660 C GLY A 112 7.895 -3.197 -9.291 1.00 1.77 C ATOM 1661 O GLY A 112 8.514 -3.812 -10.153 1.00 1.95 O ATOM 0 H GLY A 112 6.600 -4.245 -7.376 1.00 2.24 H new ATOM 0 HA2 GLY A 112 5.966 -3.553 -10.185 1.00 2.83 H new ATOM 0 HA3 GLY A 112 5.956 -2.323 -8.938 1.00 2.83 H new ATOM 1665 N ILE A 113 8.498 -2.463 -8.357 1.00 1.49 N ATOM 1666 CA ILE A 113 9.936 -2.228 -8.335 1.00 1.01 C ATOM 1667 C ILE A 113 10.452 -2.353 -6.901 1.00 0.85 C ATOM 1668 O ILE A 113 11.210 -1.511 -6.424 1.00 1.28 O ATOM 1669 CB ILE A 113 10.250 -0.859 -8.980 1.00 2.12 C ATOM 1670 CG1 ILE A 113 9.328 0.255 -8.439 1.00 1.62 C ATOM 1671 CG2 ILE A 113 10.115 -0.977 -10.507 1.00 3.65 C ATOM 1672 CD1 ILE A 113 9.766 1.656 -8.876 1.00 2.53 C ATOM 0 H ILE A 113 7.997 -2.013 -7.591 1.00 1.49 H new ATOM 0 HA ILE A 113 10.458 -2.980 -8.926 1.00 1.01 H new ATOM 0 HB ILE A 113 11.272 -0.582 -8.721 1.00 2.12 H new ATOM 0 HG12 ILE A 113 8.309 0.075 -8.782 1.00 1.62 H new ATOM 0 HG13 ILE A 113 9.311 0.208 -7.350 1.00 1.62 H new ATOM 0 HG21 ILE A 113 10.335 -0.014 -10.967 1.00 3.65 H new ATOM 0 HG22 ILE A 113 10.816 -1.725 -10.877 1.00 3.65 H new ATOM 0 HG23 ILE A 113 9.098 -1.276 -10.760 1.00 3.65 H new ATOM 0 HD11 ILE A 113 9.080 2.396 -8.465 1.00 2.53 H new ATOM 0 HD12 ILE A 113 10.774 1.853 -8.510 1.00 2.53 H new ATOM 0 HD13 ILE A 113 9.757 1.717 -9.964 1.00 2.53 H new ATOM 1684 N PHE A 114 10.061 -3.424 -6.198 1.00 0.65 N ATOM 1685 CA PHE A 114 10.439 -3.624 -4.813 1.00 0.59 C ATOM 1686 C PHE A 114 10.974 -5.035 -4.646 1.00 0.64 C ATOM 1687 O PHE A 114 12.117 -5.223 -4.244 1.00 0.72 O ATOM 1688 CB PHE A 114 9.259 -3.294 -3.891 1.00 0.76 C ATOM 1689 CG PHE A 114 9.059 -1.802 -3.733 1.00 0.75 C ATOM 1690 CD1 PHE A 114 9.772 -1.117 -2.737 1.00 2.05 C ATOM 1691 CD2 PHE A 114 8.219 -1.084 -4.605 1.00 1.78 C ATOM 1692 CE1 PHE A 114 9.673 0.275 -2.629 1.00 2.39 C ATOM 1693 CE2 PHE A 114 8.107 0.314 -4.486 1.00 1.80 C ATOM 1694 CZ PHE A 114 8.840 0.996 -3.500 1.00 1.48 C ATOM 0 H PHE A 114 9.477 -4.167 -6.581 1.00 0.65 H new ATOM 0 HA PHE A 114 11.240 -2.943 -4.524 1.00 0.59 H new ATOM 0 HB2 PHE A 114 8.350 -3.741 -4.293 1.00 0.76 H new ATOM 0 HB3 PHE A 114 9.428 -3.742 -2.912 1.00 0.76 H new ATOM 0 HD1 PHE A 114 10.400 -1.666 -2.051 1.00 2.05 H new ATOM 0 HD2 PHE A 114 7.659 -1.607 -5.367 1.00 1.78 H new ATOM 0 HE1 PHE A 114 10.240 0.797 -1.872 1.00 2.39 H new ATOM 0 HE2 PHE A 114 7.458 0.862 -5.152 1.00 1.80 H new ATOM 0 HZ PHE A 114 8.763 2.070 -3.412 1.00 1.48 H new ATOM 1704 N SER A 115 10.177 -6.033 -5.004 1.00 0.69 N ATOM 1705 CA SER A 115 10.552 -7.430 -4.920 1.00 0.83 C ATOM 1706 C SER A 115 11.768 -7.790 -5.775 1.00 0.81 C ATOM 1707 O SER A 115 12.386 -8.833 -5.567 1.00 1.07 O ATOM 1708 CB SER A 115 9.342 -8.235 -5.352 1.00 1.02 C ATOM 1709 OG SER A 115 8.872 -7.747 -6.590 1.00 2.75 O ATOM 0 H SER A 115 9.235 -5.887 -5.367 1.00 0.69 H new ATOM 0 HA SER A 115 10.849 -7.655 -3.896 1.00 0.83 H new ATOM 0 HB2 SER A 115 9.605 -9.289 -5.440 1.00 1.02 H new ATOM 0 HB3 SER A 115 8.557 -8.165 -4.599 1.00 1.02 H new ATOM 0 HG SER A 115 7.892 -7.721 -6.581 1.00 2.75 H new ATOM 1715 N GLY A 116 12.101 -6.965 -6.769 1.00 0.83 N ATOM 1716 CA GLY A 116 13.138 -7.299 -7.723 1.00 0.96 C ATOM 1717 C GLY A 116 12.573 -8.327 -8.685 1.00 1.03 C ATOM 1718 O GLY A 116 12.027 -7.962 -9.722 1.00 1.85 O ATOM 0 H GLY A 116 11.660 -6.059 -6.927 1.00 0.83 H new ATOM 0 HA2 GLY A 116 13.461 -6.409 -8.263 1.00 0.96 H new ATOM 0 HA3 GLY A 116 14.014 -7.697 -7.211 1.00 0.96 H new ATOM 1722 N ASN A 117 12.691 -9.610 -8.341 1.00 1.23 N ATOM 1723 CA ASN A 117 12.188 -10.687 -9.180 1.00 1.48 C ATOM 1724 C ASN A 117 12.040 -11.970 -8.361 1.00 1.58 C ATOM 1725 O ASN A 117 12.640 -12.991 -8.698 1.00 2.23 O ATOM 1726 CB ASN A 117 13.155 -10.891 -10.357 1.00 2.24 C ATOM 1727 CG ASN A 117 12.634 -11.934 -11.335 1.00 2.75 C ATOM 1728 OD1 ASN A 117 11.432 -12.135 -11.465 1.00 3.12 O ATOM 1729 ND2 ASN A 117 13.527 -12.601 -12.056 1.00 3.56 N ATOM 0 H ASN A 117 13.135 -9.926 -7.479 1.00 1.23 H new ATOM 0 HA ASN A 117 11.203 -10.427 -9.568 1.00 1.48 H new ATOM 0 HB2 ASN A 117 13.301 -9.944 -10.877 1.00 2.24 H new ATOM 0 HB3 ASN A 117 14.129 -11.200 -9.979 1.00 2.24 H new ATOM 0 HD21 ASN A 117 13.218 -13.297 -12.735 1.00 3.56 H new ATOM 0 HD22 ASN A 117 14.523 -12.418 -11.931 1.00 3.56 H new ATOM 1736 N LYS A 118 11.285 -11.935 -7.255 1.00 1.97 N ATOM 1737 CA LYS A 118 11.033 -13.161 -6.493 1.00 2.34 C ATOM 1738 C LYS A 118 9.851 -13.058 -5.528 1.00 2.33 C ATOM 1739 O LYS A 118 9.804 -13.780 -4.538 1.00 3.70 O ATOM 1740 CB LYS A 118 12.333 -13.609 -5.786 1.00 2.98 C ATOM 1741 CG LYS A 118 12.687 -15.037 -6.227 1.00 3.34 C ATOM 1742 CD LYS A 118 14.187 -15.328 -6.139 1.00 4.01 C ATOM 1743 CE LYS A 118 14.476 -16.499 -7.082 1.00 4.39 C ATOM 1744 NZ LYS A 118 15.900 -16.892 -7.065 1.00 4.97 N ATOM 0 H LYS A 118 10.849 -11.094 -6.877 1.00 1.97 H new ATOM 0 HA LYS A 118 10.733 -13.930 -7.205 1.00 2.34 H new ATOM 0 HB2 LYS A 118 13.147 -12.928 -6.033 1.00 2.98 H new ATOM 0 HB3 LYS A 118 12.203 -13.572 -4.704 1.00 2.98 H new ATOM 0 HG2 LYS A 118 12.146 -15.750 -5.605 1.00 3.34 H new ATOM 0 HG3 LYS A 118 12.351 -15.190 -7.253 1.00 3.34 H new ATOM 0 HD2 LYS A 118 14.767 -14.451 -6.426 1.00 4.01 H new ATOM 0 HD3 LYS A 118 14.471 -15.578 -5.117 1.00 4.01 H new ATOM 0 HE2 LYS A 118 13.862 -17.353 -6.796 1.00 4.39 H new ATOM 0 HE3 LYS A 118 14.189 -16.225 -8.097 1.00 4.39 H new ATOM 0 HZ1 LYS A 118 16.048 -17.688 -7.718 1.00 4.97 H new ATOM 0 HZ2 LYS A 118 16.486 -16.086 -7.363 1.00 4.97 H new ATOM 0 HZ3 LYS A 118 16.169 -17.179 -6.102 1.00 4.97 H new ATOM 1758 N ASP A 119 8.862 -12.220 -5.836 1.00 1.84 N ATOM 1759 CA ASP A 119 7.596 -12.206 -5.109 1.00 1.59 C ATOM 1760 C ASP A 119 6.502 -11.846 -6.108 1.00 0.99 C ATOM 1761 O ASP A 119 6.810 -11.228 -7.130 1.00 1.31 O ATOM 1762 CB ASP A 119 7.633 -11.189 -3.959 1.00 2.19 C ATOM 1763 CG ASP A 119 6.361 -11.304 -3.122 1.00 2.90 C ATOM 1764 OD1 ASP A 119 5.842 -12.434 -3.066 1.00 3.60 O ATOM 1765 OD2 ASP A 119 5.876 -10.277 -2.600 1.00 3.79 O ATOM 0 H ASP A 119 8.916 -11.537 -6.591 1.00 1.84 H new ATOM 0 HA ASP A 119 7.405 -13.183 -4.665 1.00 1.59 H new ATOM 0 HB2 ASP A 119 8.508 -11.366 -3.333 1.00 2.19 H new ATOM 0 HB3 ASP A 119 7.726 -10.179 -4.358 1.00 2.19 H new ATOM 1770 N ARG A 120 5.245 -12.223 -5.854 1.00 0.81 N ATOM 1771 CA ARG A 120 4.144 -11.882 -6.751 1.00 0.98 C ATOM 1772 C ARG A 120 2.941 -11.372 -5.976 1.00 0.93 C ATOM 1773 O ARG A 120 2.918 -11.343 -4.750 1.00 0.88 O ATOM 1774 CB ARG A 120 3.745 -13.061 -7.647 1.00 1.63 C ATOM 1775 CG ARG A 120 4.924 -13.632 -8.446 1.00 1.91 C ATOM 1776 CD ARG A 120 4.476 -14.209 -9.794 1.00 2.66 C ATOM 1777 NE ARG A 120 3.731 -15.472 -9.674 1.00 3.43 N ATOM 1778 CZ ARG A 120 3.138 -16.088 -10.708 1.00 4.32 C ATOM 1779 NH1 ARG A 120 2.588 -17.293 -10.554 1.00 5.45 N ATOM 1780 NH2 ARG A 120 3.101 -15.497 -11.905 1.00 4.63 N ATOM 0 H ARG A 120 4.968 -12.764 -5.035 1.00 0.81 H new ATOM 0 HA ARG A 120 4.502 -11.082 -7.399 1.00 0.98 H new ATOM 0 HB2 ARG A 120 3.315 -13.850 -7.030 1.00 1.63 H new ATOM 0 HB3 ARG A 120 2.967 -12.738 -8.339 1.00 1.63 H new ATOM 0 HG2 ARG A 120 5.662 -12.848 -8.614 1.00 1.91 H new ATOM 0 HG3 ARG A 120 5.414 -14.411 -7.863 1.00 1.91 H new ATOM 0 HD2 ARG A 120 3.852 -13.476 -10.305 1.00 2.66 H new ATOM 0 HD3 ARG A 120 5.353 -14.372 -10.420 1.00 2.66 H new ATOM 0 HE ARG A 120 3.661 -15.904 -8.753 1.00 3.43 H new ATOM 0 HH11 ARG A 120 2.616 -17.754 -9.645 1.00 5.45 H new ATOM 0 HH12 ARG A 120 2.139 -17.754 -11.346 1.00 5.45 H new ATOM 0 HH21 ARG A 120 3.524 -14.577 -12.033 1.00 4.63 H new ATOM 0 HH22 ARG A 120 2.650 -15.965 -12.691 1.00 4.63 H new ATOM 1794 N LEU A 121 1.897 -10.974 -6.699 1.00 0.95 N ATOM 1795 CA LEU A 121 0.806 -10.250 -6.080 1.00 0.87 C ATOM 1796 C LEU A 121 -0.048 -11.161 -5.259 1.00 0.84 C ATOM 1797 O LEU A 121 -0.514 -10.747 -4.217 1.00 0.82 O ATOM 1798 CB LEU A 121 -0.025 -9.468 -7.094 1.00 0.90 C ATOM 1799 CG LEU A 121 -0.852 -10.313 -8.082 1.00 1.10 C ATOM 1800 CD1 LEU A 121 -2.279 -10.566 -7.580 1.00 1.67 C ATOM 1801 CD2 LEU A 121 -0.941 -9.574 -9.418 1.00 1.61 C ATOM 0 H LEU A 121 1.790 -11.141 -7.700 1.00 0.95 H new ATOM 0 HA LEU A 121 1.253 -9.514 -5.412 1.00 0.87 H new ATOM 0 HB2 LEU A 121 -0.705 -8.813 -6.549 1.00 0.90 H new ATOM 0 HB3 LEU A 121 0.645 -8.827 -7.667 1.00 0.90 H new ATOM 0 HG LEU A 121 -0.350 -11.275 -8.187 1.00 1.10 H new ATOM 0 HD11 LEU A 121 -2.821 -11.166 -8.311 1.00 1.67 H new ATOM 0 HD12 LEU A 121 -2.241 -11.099 -6.630 1.00 1.67 H new ATOM 0 HD13 LEU A 121 -2.790 -9.613 -7.441 1.00 1.67 H new ATOM 0 HD21 LEU A 121 -1.525 -10.166 -10.123 1.00 1.61 H new ATOM 0 HD22 LEU A 121 -1.423 -8.608 -9.268 1.00 1.61 H new ATOM 0 HD23 LEU A 121 0.062 -9.421 -9.816 1.00 1.61 H new ATOM 1813 N THR A 122 -0.209 -12.401 -5.686 1.00 0.88 N ATOM 1814 CA THR A 122 -0.898 -13.424 -4.945 1.00 0.91 C ATOM 1815 C THR A 122 -0.287 -13.588 -3.557 1.00 0.87 C ATOM 1816 O THR A 122 -1.006 -13.872 -2.598 1.00 0.90 O ATOM 1817 CB THR A 122 -0.772 -14.671 -5.817 1.00 1.01 C ATOM 1818 OG1 THR A 122 -1.400 -14.391 -7.050 1.00 1.08 O ATOM 1819 CG2 THR A 122 -1.400 -15.900 -5.173 1.00 1.18 C ATOM 0 H THR A 122 0.149 -12.726 -6.584 1.00 0.88 H new ATOM 0 HA THR A 122 -1.946 -13.192 -4.753 1.00 0.91 H new ATOM 0 HB THR A 122 0.284 -14.905 -5.952 1.00 1.01 H new ATOM 0 HG1 THR A 122 -1.335 -15.174 -7.636 1.00 1.08 H new ATOM 0 HG21 THR A 122 -1.282 -16.758 -5.835 1.00 1.18 H new ATOM 0 HG22 THR A 122 -0.907 -16.105 -4.223 1.00 1.18 H new ATOM 0 HG23 THR A 122 -2.461 -15.718 -5.000 1.00 1.18 H new ATOM 1827 N GLN A 123 1.030 -13.398 -3.444 1.00 0.86 N ATOM 1828 CA GLN A 123 1.726 -13.527 -2.179 1.00 0.82 C ATOM 1829 C GLN A 123 1.529 -12.255 -1.368 1.00 0.72 C ATOM 1830 O GLN A 123 1.084 -12.316 -0.227 1.00 0.68 O ATOM 1831 CB GLN A 123 3.216 -13.754 -2.421 1.00 0.93 C ATOM 1832 CG GLN A 123 3.505 -15.088 -3.110 1.00 1.40 C ATOM 1833 CD GLN A 123 4.978 -15.209 -3.494 1.00 1.85 C ATOM 1834 OE1 GLN A 123 5.311 -15.211 -4.676 1.00 3.11 O ATOM 1835 NE2 GLN A 123 5.866 -15.329 -2.514 1.00 1.95 N ATOM 0 H GLN A 123 1.634 -13.152 -4.228 1.00 0.86 H new ATOM 0 HA GLN A 123 1.324 -14.380 -1.632 1.00 0.82 H new ATOM 0 HB2 GLN A 123 3.609 -12.941 -3.032 1.00 0.93 H new ATOM 0 HB3 GLN A 123 3.744 -13.720 -1.468 1.00 0.93 H new ATOM 0 HG2 GLN A 123 3.232 -15.909 -2.447 1.00 1.40 H new ATOM 0 HG3 GLN A 123 2.886 -15.180 -4.002 1.00 1.40 H new ATOM 0 HE21 GLN A 123 5.557 -15.324 -1.542 1.00 1.95 H new ATOM 0 HE22 GLN A 123 6.857 -15.427 -2.733 1.00 1.95 H new ATOM 1844 N SER A 124 1.821 -11.087 -1.941 1.00 0.74 N ATOM 1845 CA SER A 124 1.730 -9.852 -1.175 1.00 0.72 C ATOM 1846 C SER A 124 0.293 -9.606 -0.709 1.00 0.67 C ATOM 1847 O SER A 124 0.083 -9.045 0.364 1.00 0.72 O ATOM 1848 CB SER A 124 2.308 -8.689 -1.984 1.00 0.80 C ATOM 1849 OG SER A 124 3.722 -8.689 -1.893 1.00 1.31 O ATOM 0 H SER A 124 2.116 -10.974 -2.911 1.00 0.74 H new ATOM 0 HA SER A 124 2.331 -9.940 -0.270 1.00 0.72 H new ATOM 0 HB2 SER A 124 2.003 -8.774 -3.027 1.00 0.80 H new ATOM 0 HB3 SER A 124 1.912 -7.744 -1.612 1.00 0.80 H new ATOM 0 HG SER A 124 4.076 -9.505 -2.303 1.00 1.31 H new ATOM 1855 N LEU A 125 -0.685 -10.072 -1.485 1.00 0.63 N ATOM 1856 CA LEU A 125 -2.110 -10.100 -1.195 1.00 0.62 C ATOM 1857 C LEU A 125 -2.386 -11.039 -0.061 1.00 0.62 C ATOM 1858 O LEU A 125 -3.124 -10.708 0.850 1.00 0.64 O ATOM 1859 CB LEU A 125 -2.846 -10.528 -2.477 1.00 0.66 C ATOM 1860 CG LEU A 125 -4.309 -10.981 -2.426 1.00 1.11 C ATOM 1861 CD1 LEU A 125 -4.458 -12.485 -2.163 1.00 0.82 C ATOM 1862 CD2 LEU A 125 -5.177 -10.177 -1.465 1.00 2.29 C ATOM 0 H LEU A 125 -0.481 -10.469 -2.402 1.00 0.63 H new ATOM 0 HA LEU A 125 -2.463 -9.115 -0.889 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -2.794 -9.690 -3.172 1.00 0.66 H new ATOM 0 HB3 LEU A 125 -2.273 -11.343 -2.918 1.00 0.66 H new ATOM 0 HG LEU A 125 -4.685 -10.776 -3.428 1.00 1.11 H new ATOM 0 HD11 LEU A 125 -5.516 -12.747 -2.138 1.00 0.82 H new ATOM 0 HD12 LEU A 125 -3.965 -13.044 -2.958 1.00 0.82 H new ATOM 0 HD13 LEU A 125 -4.000 -12.734 -1.206 1.00 0.82 H new ATOM 0 HD21 LEU A 125 -6.197 -10.561 -1.488 1.00 2.29 H new ATOM 0 HD22 LEU A 125 -4.779 -10.266 -0.454 1.00 2.29 H new ATOM 0 HD23 LEU A 125 -5.177 -9.129 -1.764 1.00 2.29 H new ATOM 1874 N ASN A 126 -1.781 -12.207 -0.096 1.00 0.63 N ATOM 1875 CA ASN A 126 -1.917 -13.164 0.976 1.00 0.66 C ATOM 1876 C ASN A 126 -1.508 -12.519 2.288 1.00 0.68 C ATOM 1877 O ASN A 126 -2.242 -12.561 3.264 1.00 0.75 O ATOM 1878 CB ASN A 126 -1.084 -14.410 0.657 1.00 0.69 C ATOM 1879 CG ASN A 126 -1.996 -15.597 0.412 1.00 1.21 C ATOM 1880 OD1 ASN A 126 -2.194 -16.444 1.271 1.00 1.20 O ATOM 1881 ND2 ASN A 126 -2.597 -15.646 -0.768 1.00 2.94 N ATOM 0 H ASN A 126 -1.185 -12.517 -0.864 1.00 0.63 H new ATOM 0 HA ASN A 126 -2.956 -13.479 1.075 1.00 0.66 H new ATOM 0 HB2 ASN A 126 -0.466 -14.229 -0.222 1.00 0.69 H new ATOM 0 HB3 ASN A 126 -0.407 -14.626 1.483 1.00 0.69 H new ATOM 0 HD21 ASN A 126 -3.245 -16.405 -0.979 1.00 2.94 H new ATOM 0 HD22 ASN A 126 -2.412 -14.925 -1.465 1.00 2.94 H new ATOM 1888 N HIS A 127 -0.357 -11.864 2.303 1.00 0.68 N ATOM 1889 CA HIS A 127 0.174 -11.305 3.534 1.00 0.74 C ATOM 1890 C HIS A 127 -0.650 -10.093 3.949 1.00 0.75 C ATOM 1891 O HIS A 127 -0.848 -9.846 5.136 1.00 0.80 O ATOM 1892 CB HIS A 127 1.649 -10.958 3.329 1.00 0.82 C ATOM 1893 CG HIS A 127 2.474 -12.160 2.947 1.00 0.93 C ATOM 1894 ND1 HIS A 127 2.545 -13.353 3.630 1.00 1.22 N ATOM 1895 CD2 HIS A 127 3.235 -12.283 1.817 1.00 0.91 C ATOM 1896 CE1 HIS A 127 3.335 -14.176 2.917 1.00 1.35 C ATOM 1897 NE2 HIS A 127 3.772 -13.573 1.801 1.00 1.13 N ATOM 0 H HIS A 127 0.224 -11.708 1.480 1.00 0.68 H new ATOM 0 HA HIS A 127 0.108 -12.033 4.343 1.00 0.74 H new ATOM 0 HB2 HIS A 127 1.736 -10.199 2.552 1.00 0.82 H new ATOM 0 HB3 HIS A 127 2.048 -10.523 4.245 1.00 0.82 H new ATOM 0 HD2 HIS A 127 3.393 -11.519 1.070 1.00 0.91 H new ATOM 0 HE1 HIS A 127 3.584 -15.187 3.204 1.00 1.35 H new ATOM 0 HE2 HIS A 127 4.376 -13.976 1.084 1.00 1.13 H new ATOM 1905 N LEU A 128 -1.169 -9.357 2.969 1.00 0.74 N ATOM 1906 CA LEU A 128 -1.930 -8.149 3.214 1.00 0.81 C ATOM 1907 C LEU A 128 -3.240 -8.511 3.869 1.00 0.85 C ATOM 1908 O LEU A 128 -3.627 -7.927 4.874 1.00 0.94 O ATOM 1909 CB LEU A 128 -2.117 -7.437 1.869 1.00 0.80 C ATOM 1910 CG LEU A 128 -2.992 -6.183 1.885 1.00 0.89 C ATOM 1911 CD1 LEU A 128 -2.586 -5.298 0.708 1.00 2.12 C ATOM 1912 CD2 LEU A 128 -4.466 -6.512 1.688 1.00 1.34 C ATOM 0 H LEU A 128 -1.069 -9.589 1.981 1.00 0.74 H new ATOM 0 HA LEU A 128 -1.413 -7.472 3.894 1.00 0.81 H new ATOM 0 HB2 LEU A 128 -1.134 -7.164 1.486 1.00 0.80 H new ATOM 0 HB3 LEU A 128 -2.548 -8.147 1.163 1.00 0.80 H new ATOM 0 HG LEU A 128 -2.854 -5.698 2.851 1.00 0.89 H new ATOM 0 HD11 LEU A 128 -3.199 -4.397 0.702 1.00 2.12 H new ATOM 0 HD12 LEU A 128 -1.536 -5.022 0.806 1.00 2.12 H new ATOM 0 HD13 LEU A 128 -2.732 -5.843 -0.225 1.00 2.12 H new ATOM 0 HD21 LEU A 128 -5.050 -5.592 1.706 1.00 1.34 H new ATOM 0 HD22 LEU A 128 -4.603 -7.009 0.728 1.00 1.34 H new ATOM 0 HD23 LEU A 128 -4.802 -7.171 2.489 1.00 1.34 H new ATOM 1924 N LEU A 129 -3.924 -9.494 3.300 1.00 0.84 N ATOM 1925 CA LEU A 129 -5.186 -9.964 3.814 1.00 0.95 C ATOM 1926 C LEU A 129 -4.961 -10.708 5.099 1.00 0.87 C ATOM 1927 O LEU A 129 -5.856 -10.706 5.918 1.00 0.91 O ATOM 1928 CB LEU A 129 -5.939 -10.796 2.773 1.00 1.09 C ATOM 1929 CG LEU A 129 -5.818 -12.335 2.829 1.00 1.98 C ATOM 1930 CD1 LEU A 129 -6.697 -12.982 3.911 1.00 2.85 C ATOM 1931 CD2 LEU A 129 -6.261 -12.897 1.474 1.00 3.20 C ATOM 0 H LEU A 129 -3.610 -9.986 2.463 1.00 0.84 H new ATOM 0 HA LEU A 129 -5.826 -9.109 4.031 1.00 0.95 H new ATOM 0 HB2 LEU A 129 -6.997 -10.544 2.850 1.00 1.09 H new ATOM 0 HB3 LEU A 129 -5.605 -10.473 1.787 1.00 1.09 H new ATOM 0 HG LEU A 129 -4.780 -12.565 3.068 1.00 1.98 H new ATOM 0 HD11 LEU A 129 -6.561 -14.063 3.892 1.00 2.85 H new ATOM 0 HD12 LEU A 129 -6.411 -12.597 4.890 1.00 2.85 H new ATOM 0 HD13 LEU A 129 -7.743 -12.745 3.719 1.00 2.85 H new ATOM 0 HD21 LEU A 129 -6.184 -13.984 1.488 1.00 3.20 H new ATOM 0 HD22 LEU A 129 -7.294 -12.609 1.281 1.00 3.20 H new ATOM 0 HD23 LEU A 129 -5.620 -12.499 0.688 1.00 3.20 H new ATOM 1943 N THR A 130 -3.797 -11.321 5.313 1.00 0.79 N ATOM 1944 CA THR A 130 -3.550 -12.021 6.563 1.00 0.79 C ATOM 1945 C THR A 130 -3.431 -11.000 7.682 1.00 0.85 C ATOM 1946 O THR A 130 -3.940 -11.212 8.778 1.00 0.96 O ATOM 1947 CB THR A 130 -2.312 -12.924 6.448 1.00 0.83 C ATOM 1948 OG1 THR A 130 -2.608 -14.040 5.637 1.00 0.82 O ATOM 1949 CG2 THR A 130 -1.830 -13.471 7.792 1.00 0.95 C ATOM 0 H THR A 130 -3.025 -11.345 4.647 1.00 0.79 H new ATOM 0 HA THR A 130 -4.385 -12.682 6.795 1.00 0.79 H new ATOM 0 HB THR A 130 -1.528 -12.296 6.024 1.00 0.83 H new ATOM 0 HG1 THR A 130 -2.550 -13.783 4.693 1.00 0.82 H new ATOM 0 HG21 THR A 130 -0.953 -14.100 7.636 1.00 0.95 H new ATOM 0 HG22 THR A 130 -1.569 -12.642 8.450 1.00 0.95 H new ATOM 0 HG23 THR A 130 -2.623 -14.062 8.250 1.00 0.95 H new ATOM 1957 N ALA A 131 -2.789 -9.868 7.407 1.00 0.85 N ATOM 1958 CA ALA A 131 -2.688 -8.840 8.435 1.00 0.94 C ATOM 1959 C ALA A 131 -4.039 -8.166 8.630 1.00 0.99 C ATOM 1960 O ALA A 131 -4.439 -7.883 9.756 1.00 1.04 O ATOM 1961 CB ALA A 131 -1.603 -7.834 8.048 1.00 1.04 C ATOM 0 H ALA A 131 -2.346 -9.644 6.516 1.00 0.85 H new ATOM 0 HA ALA A 131 -2.405 -9.292 9.385 1.00 0.94 H new ATOM 0 HB1 ALA A 131 -1.528 -7.066 8.817 1.00 1.04 H new ATOM 0 HB2 ALA A 131 -0.647 -8.348 7.955 1.00 1.04 H new ATOM 0 HB3 ALA A 131 -1.860 -7.370 7.096 1.00 1.04 H new ATOM 1967 N LEU A 132 -4.762 -7.920 7.540 1.00 1.00 N ATOM 1968 CA LEU A 132 -6.068 -7.281 7.627 1.00 1.06 C ATOM 1969 C LEU A 132 -7.131 -8.269 8.099 1.00 1.05 C ATOM 1970 O LEU A 132 -8.203 -7.830 8.495 1.00 1.12 O ATOM 1971 CB LEU A 132 -6.464 -6.647 6.288 1.00 1.07 C ATOM 1972 CG LEU A 132 -5.604 -5.430 5.918 1.00 1.67 C ATOM 1973 CD1 LEU A 132 -5.969 -4.948 4.511 1.00 2.00 C ATOM 1974 CD2 LEU A 132 -5.818 -4.266 6.894 1.00 2.40 C ATOM 0 H LEU A 132 -4.466 -8.153 6.592 1.00 1.00 H new ATOM 0 HA LEU A 132 -5.999 -6.483 8.367 1.00 1.06 H new ATOM 0 HB2 LEU A 132 -6.381 -7.396 5.500 1.00 1.07 H new ATOM 0 HB3 LEU A 132 -7.510 -6.345 6.332 1.00 1.07 H new ATOM 0 HG LEU A 132 -4.561 -5.742 5.964 1.00 1.67 H new ATOM 0 HD11 LEU A 132 -5.357 -4.084 4.252 1.00 2.00 H new ATOM 0 HD12 LEU A 132 -5.789 -5.749 3.794 1.00 2.00 H new ATOM 0 HD13 LEU A 132 -7.022 -4.667 4.484 1.00 2.00 H new ATOM 0 HD21 LEU A 132 -5.192 -3.424 6.599 1.00 2.40 H new ATOM 0 HD22 LEU A 132 -6.865 -3.964 6.876 1.00 2.40 H new ATOM 0 HD23 LEU A 132 -5.549 -4.582 7.902 1.00 2.40 H new ATOM 1986 N ASP A 133 -6.846 -9.575 8.110 1.00 1.00 N ATOM 1987 CA ASP A 133 -7.747 -10.626 8.593 1.00 0.98 C ATOM 1988 C ASP A 133 -8.099 -10.340 10.042 1.00 0.86 C ATOM 1989 O ASP A 133 -9.219 -10.579 10.487 1.00 0.83 O ATOM 1990 CB ASP A 133 -7.123 -12.028 8.477 1.00 1.13 C ATOM 1991 CG ASP A 133 -8.127 -13.034 7.917 1.00 1.25 C ATOM 1992 OD1 ASP A 133 -8.431 -12.928 6.706 1.00 2.13 O ATOM 1993 OD2 ASP A 133 -8.591 -13.888 8.702 1.00 2.01 O ATOM 0 H ASP A 133 -5.955 -9.941 7.773 1.00 1.00 H new ATOM 0 HA ASP A 133 -8.641 -10.619 7.970 1.00 0.98 H new ATOM 0 HB2 ASP A 133 -6.246 -11.987 7.831 1.00 1.13 H new ATOM 0 HB3 ASP A 133 -6.781 -12.359 9.457 1.00 1.13 H new ATOM 1998 N THR A 134 -7.131 -9.748 10.748 1.00 0.88 N ATOM 1999 CA THR A 134 -7.227 -9.273 12.114 1.00 0.89 C ATOM 2000 C THR A 134 -8.342 -8.228 12.322 1.00 0.80 C ATOM 2001 O THR A 134 -8.577 -7.825 13.460 1.00 0.87 O ATOM 2002 CB THR A 134 -5.818 -8.836 12.561 1.00 1.03 C ATOM 2003 OG1 THR A 134 -5.568 -9.327 13.861 1.00 1.37 O ATOM 2004 CG2 THR A 134 -5.623 -7.329 12.588 1.00 1.38 C ATOM 0 H THR A 134 -6.207 -9.582 10.349 1.00 0.88 H new ATOM 0 HA THR A 134 -7.554 -10.078 12.772 1.00 0.89 H new ATOM 0 HB THR A 134 -5.127 -9.245 11.824 1.00 1.03 H new ATOM 0 HG1 THR A 134 -4.672 -9.052 14.148 1.00 1.37 H new ATOM 0 HG21 THR A 134 -4.608 -7.099 12.912 1.00 1.38 H new ATOM 0 HG22 THR A 134 -5.786 -6.923 11.590 1.00 1.38 H new ATOM 0 HG23 THR A 134 -6.335 -6.882 13.282 1.00 1.38 H new ATOM 2012 N THR A 135 -9.046 -7.799 11.265 1.00 0.72 N ATOM 2013 CA THR A 135 -10.171 -6.885 11.334 1.00 0.72 C ATOM 2014 C THR A 135 -11.313 -7.394 10.445 1.00 0.82 C ATOM 2015 O THR A 135 -11.092 -7.876 9.335 1.00 1.72 O ATOM 2016 CB THR A 135 -9.722 -5.477 10.909 1.00 0.94 C ATOM 2017 OG1 THR A 135 -9.419 -5.402 9.531 1.00 1.20 O ATOM 2018 CG2 THR A 135 -8.494 -4.994 11.682 1.00 1.25 C ATOM 0 H THR A 135 -8.833 -8.094 10.312 1.00 0.72 H new ATOM 0 HA THR A 135 -10.537 -6.833 12.359 1.00 0.72 H new ATOM 0 HB THR A 135 -10.573 -4.835 11.136 1.00 0.94 H new ATOM 0 HG1 THR A 135 -9.012 -6.244 9.239 1.00 1.20 H new ATOM 0 HG21 THR A 135 -8.220 -3.995 11.342 1.00 1.25 H new ATOM 0 HG22 THR A 135 -8.723 -4.965 12.747 1.00 1.25 H new ATOM 0 HG23 THR A 135 -7.663 -5.677 11.508 1.00 1.25 H new ATOM 2026 N ASP A 136 -12.559 -7.252 10.892 1.00 0.87 N ATOM 2027 CA ASP A 136 -13.760 -7.547 10.119 1.00 0.90 C ATOM 2028 C ASP A 136 -14.144 -6.321 9.291 1.00 1.07 C ATOM 2029 O ASP A 136 -15.281 -5.861 9.341 1.00 1.35 O ATOM 2030 CB ASP A 136 -14.908 -7.928 11.067 1.00 1.12 C ATOM 2031 CG ASP A 136 -14.564 -9.140 11.924 1.00 2.40 C ATOM 2032 OD1 ASP A 136 -14.472 -8.969 13.158 1.00 3.07 O ATOM 2033 OD2 ASP A 136 -14.355 -10.214 11.319 1.00 3.83 O ATOM 0 H ASP A 136 -12.765 -6.917 11.833 1.00 0.87 H new ATOM 0 HA ASP A 136 -13.567 -8.385 9.449 1.00 0.90 H new ATOM 0 HB2 ASP A 136 -15.140 -7.082 11.713 1.00 1.12 H new ATOM 0 HB3 ASP A 136 -15.804 -8.139 10.484 1.00 1.12 H new ATOM 2038 N ALA A 137 -13.182 -5.762 8.554 1.00 1.12 N ATOM 2039 CA ALA A 137 -13.401 -4.586 7.741 1.00 1.40 C ATOM 2040 C ALA A 137 -13.661 -5.038 6.301 1.00 1.25 C ATOM 2041 O ALA A 137 -14.568 -5.823 6.027 1.00 1.33 O ATOM 2042 CB ALA A 137 -12.183 -3.662 7.910 1.00 1.74 C ATOM 0 H ALA A 137 -12.228 -6.121 8.511 1.00 1.12 H new ATOM 0 HA ALA A 137 -14.276 -4.012 8.045 1.00 1.40 H new ATOM 0 HB1 ALA A 137 -12.321 -2.765 7.307 1.00 1.74 H new ATOM 0 HB2 ALA A 137 -12.081 -3.382 8.959 1.00 1.74 H new ATOM 0 HB3 ALA A 137 -11.283 -4.183 7.585 1.00 1.74 H new ATOM 2048 N ASP A 138 -12.828 -4.581 5.375 1.00 1.20 N ATOM 2049 CA ASP A 138 -12.890 -4.889 3.957 1.00 1.11 C ATOM 2050 C ASP A 138 -11.510 -4.565 3.399 1.00 1.12 C ATOM 2051 O ASP A 138 -10.761 -3.798 4.009 1.00 1.26 O ATOM 2052 CB ASP A 138 -13.963 -4.051 3.250 1.00 1.16 C ATOM 2053 CG ASP A 138 -14.404 -4.692 1.936 1.00 1.25 C ATOM 2054 OD1 ASP A 138 -13.613 -4.616 0.971 1.00 2.26 O ATOM 2055 OD2 ASP A 138 -15.525 -5.243 1.906 1.00 1.94 O ATOM 0 H ASP A 138 -12.055 -3.956 5.606 1.00 1.20 H new ATOM 0 HA ASP A 138 -13.158 -5.933 3.797 1.00 1.11 H new ATOM 0 HB2 ASP A 138 -14.826 -3.935 3.906 1.00 1.16 H new ATOM 0 HB3 ASP A 138 -13.574 -3.051 3.055 1.00 1.16 H new ATOM 2060 N VAL A 139 -11.166 -5.141 2.256 1.00 1.02 N ATOM 2061 CA VAL A 139 -9.907 -4.903 1.595 1.00 1.06 C ATOM 2062 C VAL A 139 -10.219 -4.588 0.142 1.00 0.98 C ATOM 2063 O VAL A 139 -10.715 -5.439 -0.599 1.00 1.07 O ATOM 2064 CB VAL A 139 -8.954 -6.088 1.811 1.00 1.07 C ATOM 2065 CG1 VAL A 139 -9.422 -7.454 1.308 1.00 1.27 C ATOM 2066 CG2 VAL A 139 -7.617 -5.801 1.141 1.00 1.51 C ATOM 0 H VAL A 139 -11.770 -5.797 1.760 1.00 1.02 H new ATOM 0 HA VAL A 139 -9.371 -4.051 2.013 1.00 1.06 H new ATOM 0 HB VAL A 139 -8.896 -6.168 2.897 1.00 1.07 H new ATOM 0 HG11 VAL A 139 -8.658 -8.202 1.522 1.00 1.27 H new ATOM 0 HG12 VAL A 139 -10.350 -7.728 1.810 1.00 1.27 H new ATOM 0 HG13 VAL A 139 -9.592 -7.407 0.232 1.00 1.27 H new ATOM 0 HG21 VAL A 139 -6.944 -6.644 1.297 1.00 1.51 H new ATOM 0 HG22 VAL A 139 -7.770 -5.651 0.072 1.00 1.51 H new ATOM 0 HG23 VAL A 139 -7.179 -4.902 1.574 1.00 1.51 H new ATOM 2076 N ALA A 140 -9.914 -3.355 -0.264 1.00 0.85 N ATOM 2077 CA ALA A 140 -10.149 -2.909 -1.620 1.00 0.78 C ATOM 2078 C ALA A 140 -8.786 -2.716 -2.264 1.00 0.79 C ATOM 2079 O ALA A 140 -7.909 -2.105 -1.664 1.00 0.92 O ATOM 2080 CB ALA A 140 -11.010 -1.642 -1.627 1.00 0.74 C ATOM 0 H ALA A 140 -9.499 -2.647 0.342 1.00 0.85 H new ATOM 0 HA ALA A 140 -10.713 -3.642 -2.197 1.00 0.78 H new ATOM 0 HB1 ALA A 140 -11.177 -1.321 -2.655 1.00 0.74 H new ATOM 0 HB2 ALA A 140 -11.969 -1.851 -1.152 1.00 0.74 H new ATOM 0 HB3 ALA A 140 -10.498 -0.851 -1.078 1.00 0.74 H new ATOM 2086 N ILE A 141 -8.584 -3.247 -3.465 1.00 0.80 N ATOM 2087 CA ILE A 141 -7.302 -3.205 -4.155 1.00 0.82 C ATOM 2088 C ILE A 141 -7.574 -2.682 -5.561 1.00 0.90 C ATOM 2089 O ILE A 141 -8.517 -3.124 -6.206 1.00 1.07 O ATOM 2090 CB ILE A 141 -6.621 -4.593 -4.169 1.00 0.94 C ATOM 2091 CG1 ILE A 141 -7.583 -5.792 -4.270 1.00 1.63 C ATOM 2092 CG2 ILE A 141 -5.690 -4.763 -2.965 1.00 1.93 C ATOM 2093 CD1 ILE A 141 -8.139 -6.322 -2.941 1.00 1.23 C ATOM 0 H ILE A 141 -9.315 -3.724 -3.992 1.00 0.80 H new ATOM 0 HA ILE A 141 -6.604 -2.546 -3.638 1.00 0.82 H new ATOM 0 HB ILE A 141 -6.042 -4.604 -5.093 1.00 0.94 H new ATOM 0 HG12 ILE A 141 -8.422 -5.507 -4.904 1.00 1.63 H new ATOM 0 HG13 ILE A 141 -7.064 -6.607 -4.775 1.00 1.63 H new ATOM 0 HG21 ILE A 141 -5.225 -5.748 -3.001 1.00 1.93 H new ATOM 0 HG22 ILE A 141 -4.917 -3.995 -2.992 1.00 1.93 H new ATOM 0 HG23 ILE A 141 -6.265 -4.667 -2.044 1.00 1.93 H new ATOM 0 HD11 ILE A 141 -8.803 -7.164 -3.135 1.00 1.23 H new ATOM 0 HD12 ILE A 141 -7.315 -6.648 -2.306 1.00 1.23 H new ATOM 0 HD13 ILE A 141 -8.694 -5.531 -2.437 1.00 1.23 H new ATOM 2105 N TYR A 142 -6.768 -1.733 -6.037 1.00 0.90 N ATOM 2106 CA TYR A 142 -6.969 -1.030 -7.295 1.00 1.03 C ATOM 2107 C TYR A 142 -5.655 -0.900 -8.065 1.00 1.00 C ATOM 2108 O TYR A 142 -4.665 -0.434 -7.508 1.00 1.06 O ATOM 2109 CB TYR A 142 -7.569 0.356 -7.012 1.00 1.19 C ATOM 2110 CG TYR A 142 -6.720 1.231 -6.108 1.00 1.74 C ATOM 2111 CD1 TYR A 142 -6.735 1.024 -4.716 1.00 2.53 C ATOM 2112 CD2 TYR A 142 -5.873 2.210 -6.660 1.00 2.91 C ATOM 2113 CE1 TYR A 142 -5.903 1.782 -3.873 1.00 4.02 C ATOM 2114 CE2 TYR A 142 -5.031 2.961 -5.825 1.00 4.33 C ATOM 2115 CZ TYR A 142 -5.049 2.760 -4.427 1.00 4.81 C ATOM 2116 OH TYR A 142 -4.237 3.504 -3.628 1.00 6.38 O ATOM 0 H TYR A 142 -5.932 -1.426 -5.539 1.00 0.90 H new ATOM 0 HA TYR A 142 -7.659 -1.603 -7.914 1.00 1.03 H new ATOM 0 HB2 TYR A 142 -7.722 0.873 -7.959 1.00 1.19 H new ATOM 0 HB3 TYR A 142 -8.551 0.228 -6.556 1.00 1.19 H new ATOM 0 HD1 TYR A 142 -7.390 0.277 -4.292 1.00 2.53 H new ATOM 0 HD2 TYR A 142 -5.871 2.383 -7.726 1.00 2.91 H new ATOM 0 HE1 TYR A 142 -5.917 1.617 -2.806 1.00 4.02 H new ATOM 0 HE2 TYR A 142 -4.366 3.696 -6.254 1.00 4.33 H new ATOM 0 HH TYR A 142 -3.323 3.483 -3.981 1.00 6.38 H new ATOM 2126 N CYS A 143 -5.653 -1.297 -9.343 1.00 1.00 N ATOM 2127 CA CYS A 143 -4.544 -1.112 -10.274 1.00 1.02 C ATOM 2128 C CYS A 143 -5.098 -1.108 -11.709 1.00 1.04 C ATOM 2129 O CYS A 143 -6.242 -1.504 -11.953 1.00 0.98 O ATOM 2130 CB CYS A 143 -3.479 -2.215 -10.121 1.00 1.12 C ATOM 2131 SG CYS A 143 -2.379 -1.963 -8.697 1.00 1.90 S ATOM 0 H CYS A 143 -6.451 -1.771 -9.767 1.00 1.00 H new ATOM 0 HA CYS A 143 -4.059 -0.161 -10.052 1.00 1.02 H new ATOM 0 HB2 CYS A 143 -3.977 -3.179 -10.020 1.00 1.12 H new ATOM 0 HB3 CYS A 143 -2.880 -2.260 -11.030 1.00 1.12 H new ATOM 0 HG CYS A 143 -2.994 -1.260 -7.793 1.00 1.90 H new ATOM 2137 N ARG A 144 -4.295 -0.609 -12.655 1.00 1.32 N ATOM 2138 CA ARG A 144 -4.589 -0.530 -14.089 1.00 1.37 C ATOM 2139 C ARG A 144 -4.184 -1.813 -14.787 1.00 1.37 C ATOM 2140 O ARG A 144 -3.300 -1.842 -15.639 1.00 2.12 O ATOM 2141 CB ARG A 144 -3.863 0.694 -14.673 1.00 1.71 C ATOM 2142 CG ARG A 144 -4.732 1.951 -14.588 1.00 1.78 C ATOM 2143 CD ARG A 144 -3.853 3.209 -14.555 1.00 2.26 C ATOM 2144 NE ARG A 144 -4.370 4.273 -15.425 1.00 2.76 N ATOM 2145 CZ ARG A 144 -4.199 4.329 -16.754 1.00 3.19 C ATOM 2146 NH1 ARG A 144 -4.739 5.320 -17.462 1.00 3.94 N ATOM 2147 NH2 ARG A 144 -3.486 3.389 -17.381 1.00 3.57 N ATOM 0 H ARG A 144 -3.375 -0.230 -12.429 1.00 1.32 H new ATOM 0 HA ARG A 144 -5.661 -0.411 -14.246 1.00 1.37 H new ATOM 0 HB2 ARG A 144 -2.930 0.857 -14.133 1.00 1.71 H new ATOM 0 HB3 ARG A 144 -3.600 0.501 -15.713 1.00 1.71 H new ATOM 0 HG2 ARG A 144 -5.406 1.993 -15.444 1.00 1.78 H new ATOM 0 HG3 ARG A 144 -5.354 1.911 -13.694 1.00 1.78 H new ATOM 0 HD2 ARG A 144 -3.789 3.578 -13.531 1.00 2.26 H new ATOM 0 HD3 ARG A 144 -2.840 2.950 -14.864 1.00 2.26 H new ATOM 0 HE ARG A 144 -4.899 5.026 -14.985 1.00 2.76 H new ATOM 0 HH11 ARG A 144 -5.286 6.042 -16.994 1.00 3.94 H new ATOM 0 HH12 ARG A 144 -4.605 5.357 -18.473 1.00 3.94 H new ATOM 0 HH21 ARG A 144 -3.069 2.625 -16.849 1.00 3.57 H new ATOM 0 HH22 ARG A 144 -3.358 3.435 -18.392 1.00 3.57 H new ATOM 2161 N ASP A 145 -4.909 -2.865 -14.463 1.00 1.04 N ATOM 2162 CA ASP A 145 -4.710 -4.182 -15.013 1.00 1.35 C ATOM 2163 C ASP A 145 -5.979 -4.948 -14.733 1.00 1.83 C ATOM 2164 O ASP A 145 -6.051 -5.782 -13.853 1.00 3.71 O ATOM 2165 CB ASP A 145 -3.463 -4.872 -14.425 1.00 1.16 C ATOM 2166 CG ASP A 145 -3.352 -4.863 -12.893 1.00 2.77 C ATOM 2167 OD1 ASP A 145 -2.554 -5.681 -12.391 1.00 3.43 O ATOM 2168 OD2 ASP A 145 -4.006 -4.008 -12.254 1.00 4.42 O ATOM 0 H ASP A 145 -5.674 -2.821 -13.790 1.00 1.04 H new ATOM 0 HA ASP A 145 -4.517 -4.135 -16.085 1.00 1.35 H new ATOM 0 HB2 ASP A 145 -3.450 -5.908 -14.765 1.00 1.16 H new ATOM 0 HB3 ASP A 145 -2.576 -4.390 -14.837 1.00 1.16 H new ATOM 2173 N LYS A 146 -7.011 -4.698 -15.528 1.00 1.07 N ATOM 2174 CA LYS A 146 -8.243 -5.491 -15.479 1.00 1.14 C ATOM 2175 C LYS A 146 -8.032 -7.017 -15.470 1.00 1.19 C ATOM 2176 O LYS A 146 -8.869 -7.753 -14.956 1.00 1.24 O ATOM 2177 CB LYS A 146 -9.175 -5.020 -16.601 1.00 1.51 C ATOM 2178 CG LYS A 146 -10.587 -5.627 -16.556 1.00 1.77 C ATOM 2179 CD LYS A 146 -10.864 -6.633 -17.679 1.00 2.53 C ATOM 2180 CE LYS A 146 -10.465 -8.064 -17.302 1.00 4.20 C ATOM 2181 NZ LYS A 146 -11.036 -9.057 -18.240 1.00 5.33 N ATOM 0 H LYS A 146 -7.024 -3.949 -16.220 1.00 1.07 H new ATOM 0 HA LYS A 146 -8.713 -5.310 -14.512 1.00 1.14 H new ATOM 0 HB2 LYS A 146 -9.259 -3.934 -16.554 1.00 1.51 H new ATOM 0 HB3 LYS A 146 -8.719 -5.264 -17.561 1.00 1.51 H new ATOM 0 HG2 LYS A 146 -10.729 -6.121 -15.595 1.00 1.77 H new ATOM 0 HG3 LYS A 146 -11.320 -4.822 -16.613 1.00 1.77 H new ATOM 0 HD2 LYS A 146 -11.925 -6.610 -17.929 1.00 2.53 H new ATOM 0 HD3 LYS A 146 -10.319 -6.332 -18.574 1.00 2.53 H new ATOM 0 HE2 LYS A 146 -9.378 -8.150 -17.298 1.00 4.20 H new ATOM 0 HE3 LYS A 146 -10.805 -8.282 -16.290 1.00 4.20 H new ATOM 0 HZ1 LYS A 146 -10.690 -10.006 -17.994 1.00 5.33 H new ATOM 0 HZ2 LYS A 146 -12.074 -9.039 -18.175 1.00 5.33 H new ATOM 0 HZ3 LYS A 146 -10.746 -8.824 -19.211 1.00 5.33 H new ATOM 2195 N LYS A 147 -6.942 -7.562 -16.010 1.00 1.25 N ATOM 2196 CA LYS A 147 -6.656 -8.993 -15.838 1.00 1.35 C ATOM 2197 C LYS A 147 -6.601 -9.385 -14.362 1.00 1.37 C ATOM 2198 O LYS A 147 -7.032 -10.479 -14.001 1.00 1.51 O ATOM 2199 CB LYS A 147 -5.345 -9.355 -16.560 1.00 1.41 C ATOM 2200 CG LYS A 147 -5.582 -10.099 -17.880 1.00 1.65 C ATOM 2201 CD LYS A 147 -5.792 -11.600 -17.632 1.00 3.41 C ATOM 2202 CE LYS A 147 -6.020 -12.377 -18.935 1.00 3.95 C ATOM 2203 NZ LYS A 147 -4.833 -12.369 -19.820 1.00 3.75 N ATOM 0 H LYS A 147 -6.253 -7.050 -16.560 1.00 1.25 H new ATOM 0 HA LYS A 147 -7.472 -9.561 -16.285 1.00 1.35 H new ATOM 0 HB2 LYS A 147 -4.780 -8.444 -16.758 1.00 1.41 H new ATOM 0 HB3 LYS A 147 -4.733 -9.974 -15.904 1.00 1.41 H new ATOM 0 HG2 LYS A 147 -6.454 -9.684 -18.385 1.00 1.65 H new ATOM 0 HG3 LYS A 147 -4.730 -9.951 -18.543 1.00 1.65 H new ATOM 0 HD2 LYS A 147 -4.922 -12.006 -17.116 1.00 3.41 H new ATOM 0 HD3 LYS A 147 -6.648 -11.741 -16.972 1.00 3.41 H new ATOM 0 HE2 LYS A 147 -6.284 -13.407 -18.697 1.00 3.95 H new ATOM 0 HE3 LYS A 147 -6.868 -11.945 -19.467 1.00 3.95 H new ATOM 0 HZ1 LYS A 147 -5.004 -12.990 -20.636 1.00 3.75 H new ATOM 0 HZ2 LYS A 147 -4.655 -11.400 -20.153 1.00 3.75 H new ATOM 0 HZ3 LYS A 147 -4.005 -12.711 -19.293 1.00 3.75 H new ATOM 2217 N TRP A 148 -6.071 -8.518 -13.511 1.00 1.29 N ATOM 2218 CA TRP A 148 -5.914 -8.781 -12.100 1.00 1.31 C ATOM 2219 C TRP A 148 -7.248 -8.789 -11.381 1.00 1.21 C ATOM 2220 O TRP A 148 -7.371 -9.494 -10.393 1.00 1.17 O ATOM 2221 CB TRP A 148 -4.858 -7.857 -11.463 1.00 1.33 C ATOM 2222 CG TRP A 148 -5.326 -6.663 -10.681 1.00 2.30 C ATOM 2223 CD1 TRP A 148 -6.405 -5.903 -10.956 1.00 3.74 C ATOM 2224 CD2 TRP A 148 -4.721 -6.045 -9.508 1.00 2.85 C ATOM 2225 NE1 TRP A 148 -6.588 -4.950 -9.984 1.00 5.21 N ATOM 2226 CE2 TRP A 148 -5.588 -5.016 -9.044 1.00 4.72 C ATOM 2227 CE3 TRP A 148 -3.522 -6.232 -8.794 1.00 2.26 C ATOM 2228 CZ2 TRP A 148 -5.322 -4.278 -7.890 1.00 5.74 C ATOM 2229 CZ3 TRP A 148 -3.211 -5.452 -7.667 1.00 3.17 C ATOM 2230 CH2 TRP A 148 -4.119 -4.483 -7.201 1.00 4.87 C ATOM 0 H TRP A 148 -5.734 -7.598 -13.794 1.00 1.29 H new ATOM 0 HA TRP A 148 -5.519 -9.790 -11.984 1.00 1.31 H new ATOM 0 HB2 TRP A 148 -4.242 -8.465 -10.801 1.00 1.33 H new ATOM 0 HB3 TRP A 148 -4.209 -7.496 -12.261 1.00 1.33 H new ATOM 0 HD1 TRP A 148 -7.039 -6.027 -11.822 1.00 3.74 H new ATOM 0 HE1 TRP A 148 -7.361 -4.284 -9.963 1.00 5.21 H new ATOM 0 HE3 TRP A 148 -2.826 -6.991 -9.119 1.00 2.26 H new ATOM 0 HZ2 TRP A 148 -6.038 -3.554 -7.530 1.00 5.74 H new ATOM 0 HZ3 TRP A 148 -2.271 -5.597 -7.156 1.00 3.17 H new ATOM 0 HH2 TRP A 148 -3.891 -3.902 -6.320 1.00 4.87 H new ATOM 2241 N GLU A 149 -8.261 -8.055 -11.847 1.00 1.23 N ATOM 2242 CA GLU A 149 -9.523 -8.034 -11.124 1.00 1.20 C ATOM 2243 C GLU A 149 -10.254 -9.328 -11.419 1.00 1.29 C ATOM 2244 O GLU A 149 -10.881 -9.892 -10.530 1.00 1.28 O ATOM 2245 CB GLU A 149 -10.350 -6.774 -11.421 1.00 1.25 C ATOM 2246 CG GLU A 149 -10.813 -6.652 -12.877 1.00 2.01 C ATOM 2247 CD GLU A 149 -12.307 -6.419 -13.078 1.00 2.78 C ATOM 2248 OE1 GLU A 149 -13.105 -7.155 -12.463 1.00 4.11 O ATOM 2249 OE2 GLU A 149 -12.629 -5.550 -13.922 1.00 2.76 O ATOM 0 H GLU A 149 -8.232 -7.487 -12.694 1.00 1.23 H new ATOM 0 HA GLU A 149 -9.337 -7.976 -10.052 1.00 1.20 H new ATOM 0 HB2 GLU A 149 -11.226 -6.767 -10.772 1.00 1.25 H new ATOM 0 HB3 GLU A 149 -9.757 -5.896 -11.166 1.00 1.25 H new ATOM 0 HG2 GLU A 149 -10.270 -5.831 -13.344 1.00 2.01 H new ATOM 0 HG3 GLU A 149 -10.531 -7.562 -13.406 1.00 2.01 H new ATOM 2256 N MET A 150 -10.091 -9.849 -12.638 1.00 1.41 N ATOM 2257 CA MET A 150 -10.644 -11.140 -12.979 1.00 1.55 C ATOM 2258 C MET A 150 -9.974 -12.199 -12.123 1.00 1.46 C ATOM 2259 O MET A 150 -10.649 -12.895 -11.373 1.00 1.43 O ATOM 2260 CB MET A 150 -10.461 -11.402 -14.475 1.00 1.77 C ATOM 2261 CG MET A 150 -11.723 -10.993 -15.240 1.00 1.94 C ATOM 2262 SD MET A 150 -12.560 -12.362 -16.078 1.00 3.17 S ATOM 2263 CE MET A 150 -13.071 -13.342 -14.636 1.00 4.27 C ATOM 0 H MET A 150 -9.582 -9.391 -13.394 1.00 1.41 H new ATOM 0 HA MET A 150 -11.715 -11.167 -12.777 1.00 1.55 H new ATOM 0 HB2 MET A 150 -9.603 -10.842 -14.848 1.00 1.77 H new ATOM 0 HB3 MET A 150 -10.250 -12.458 -14.644 1.00 1.77 H new ATOM 0 HG2 MET A 150 -12.421 -10.527 -14.544 1.00 1.94 H new ATOM 0 HG3 MET A 150 -11.457 -10.237 -15.979 1.00 1.94 H new ATOM 0 HE1 MET A 150 -13.621 -14.222 -14.970 1.00 4.27 H new ATOM 0 HE2 MET A 150 -12.189 -13.656 -14.078 1.00 4.27 H new ATOM 0 HE3 MET A 150 -13.710 -12.737 -13.993 1.00 4.27 H new ATOM 2273 N THR A 151 -8.652 -12.326 -12.206 1.00 1.47 N ATOM 2274 CA THR A 151 -7.952 -13.380 -11.497 1.00 1.49 C ATOM 2275 C THR A 151 -8.151 -13.291 -9.988 1.00 1.29 C ATOM 2276 O THR A 151 -8.395 -14.299 -9.331 1.00 1.30 O ATOM 2277 CB THR A 151 -6.468 -13.333 -11.872 1.00 1.62 C ATOM 2278 OG1 THR A 151 -6.313 -13.166 -13.267 1.00 1.76 O ATOM 2279 CG2 THR A 151 -5.789 -14.639 -11.492 1.00 1.83 C ATOM 0 H THR A 151 -8.051 -11.712 -12.756 1.00 1.47 H new ATOM 0 HA THR A 151 -8.371 -14.340 -11.798 1.00 1.49 H new ATOM 0 HB THR A 151 -6.020 -12.495 -11.338 1.00 1.62 H new ATOM 0 HG1 THR A 151 -6.404 -12.217 -13.495 1.00 1.76 H new ATOM 0 HG21 THR A 151 -4.734 -14.593 -11.764 1.00 1.83 H new ATOM 0 HG22 THR A 151 -5.880 -14.797 -10.417 1.00 1.83 H new ATOM 0 HG23 THR A 151 -6.265 -15.464 -12.022 1.00 1.83 H new ATOM 2287 N LEU A 152 -8.072 -12.089 -9.426 1.00 1.15 N ATOM 2288 CA LEU A 152 -8.276 -11.895 -8.004 1.00 0.99 C ATOM 2289 C LEU A 152 -9.719 -12.214 -7.652 1.00 0.94 C ATOM 2290 O LEU A 152 -9.957 -12.702 -6.558 1.00 0.87 O ATOM 2291 CB LEU A 152 -7.914 -10.471 -7.554 1.00 0.94 C ATOM 2292 CG LEU A 152 -6.397 -10.229 -7.502 1.00 1.24 C ATOM 2293 CD1 LEU A 152 -6.083 -8.730 -7.450 1.00 1.76 C ATOM 2294 CD2 LEU A 152 -5.801 -10.875 -6.247 1.00 2.16 C ATOM 0 H LEU A 152 -7.867 -11.233 -9.942 1.00 1.15 H new ATOM 0 HA LEU A 152 -7.608 -12.573 -7.473 1.00 0.99 H new ATOM 0 HB2 LEU A 152 -8.368 -9.753 -8.237 1.00 0.94 H new ATOM 0 HB3 LEU A 152 -8.340 -10.287 -6.568 1.00 0.94 H new ATOM 0 HG LEU A 152 -5.965 -10.667 -8.402 1.00 1.24 H new ATOM 0 HD11 LEU A 152 -5.003 -8.585 -7.414 1.00 1.76 H new ATOM 0 HD12 LEU A 152 -6.485 -8.243 -8.339 1.00 1.76 H new ATOM 0 HD13 LEU A 152 -6.537 -8.294 -6.561 1.00 1.76 H new ATOM 0 HD21 LEU A 152 -4.726 -10.697 -6.222 1.00 2.16 H new ATOM 0 HD22 LEU A 152 -6.262 -10.440 -5.360 1.00 2.16 H new ATOM 0 HD23 LEU A 152 -5.990 -11.948 -6.265 1.00 2.16 H new ATOM 2306 N LYS A 153 -10.689 -11.972 -8.538 1.00 1.03 N ATOM 2307 CA LYS A 153 -12.067 -12.340 -8.227 1.00 1.12 C ATOM 2308 C LYS A 153 -12.239 -13.848 -8.294 1.00 1.24 C ATOM 2309 O LYS A 153 -13.027 -14.398 -7.536 1.00 1.28 O ATOM 2310 CB LYS A 153 -13.081 -11.622 -9.132 1.00 1.32 C ATOM 2311 CG LYS A 153 -13.429 -10.236 -8.567 1.00 1.58 C ATOM 2312 CD LYS A 153 -14.399 -10.368 -7.379 1.00 3.00 C ATOM 2313 CE LYS A 153 -14.558 -9.044 -6.622 1.00 4.21 C ATOM 2314 NZ LYS A 153 -14.929 -9.262 -5.201 1.00 5.66 N ATOM 0 H LYS A 153 -10.550 -11.536 -9.450 1.00 1.03 H new ATOM 0 HA LYS A 153 -12.273 -12.011 -7.209 1.00 1.12 H new ATOM 0 HB2 LYS A 153 -12.670 -11.518 -10.136 1.00 1.32 H new ATOM 0 HB3 LYS A 153 -13.987 -12.222 -9.219 1.00 1.32 H new ATOM 0 HG2 LYS A 153 -12.519 -9.728 -8.247 1.00 1.58 H new ATOM 0 HG3 LYS A 153 -13.880 -9.622 -9.346 1.00 1.58 H new ATOM 0 HD2 LYS A 153 -15.373 -10.699 -7.740 1.00 3.00 H new ATOM 0 HD3 LYS A 153 -14.035 -11.135 -6.696 1.00 3.00 H new ATOM 0 HE2 LYS A 153 -13.625 -8.483 -6.672 1.00 4.21 H new ATOM 0 HE3 LYS A 153 -15.322 -8.437 -7.108 1.00 4.21 H new ATOM 0 HZ1 LYS A 153 -15.729 -8.645 -4.953 1.00 5.66 H new ATOM 0 HZ2 LYS A 153 -15.202 -10.256 -5.062 1.00 5.66 H new ATOM 0 HZ3 LYS A 153 -14.117 -9.038 -4.592 1.00 5.66 H new ATOM 2328 N GLU A 154 -11.508 -14.519 -9.178 1.00 1.36 N ATOM 2329 CA GLU A 154 -11.591 -15.960 -9.362 1.00 1.52 C ATOM 2330 C GLU A 154 -11.086 -16.616 -8.079 1.00 1.42 C ATOM 2331 O GLU A 154 -11.761 -17.423 -7.456 1.00 1.55 O ATOM 2332 CB GLU A 154 -10.779 -16.347 -10.615 1.00 1.69 C ATOM 2333 CG GLU A 154 -11.417 -17.468 -11.448 1.00 1.93 C ATOM 2334 CD GLU A 154 -10.973 -18.868 -11.025 1.00 2.78 C ATOM 2335 OE1 GLU A 154 -10.594 -19.644 -11.930 1.00 3.44 O ATOM 2336 OE2 GLU A 154 -11.010 -19.148 -9.809 1.00 3.75 O ATOM 0 H GLU A 154 -10.832 -14.069 -9.795 1.00 1.36 H new ATOM 0 HA GLU A 154 -12.610 -16.305 -9.534 1.00 1.52 H new ATOM 0 HB2 GLU A 154 -10.657 -15.465 -11.244 1.00 1.69 H new ATOM 0 HB3 GLU A 154 -9.781 -16.659 -10.307 1.00 1.69 H new ATOM 0 HG2 GLU A 154 -12.502 -17.399 -11.366 1.00 1.93 H new ATOM 0 HG3 GLU A 154 -11.167 -17.317 -12.498 1.00 1.93 H new ATOM 2343 N ALA A 155 -9.934 -16.163 -7.600 1.00 1.26 N ATOM 2344 CA ALA A 155 -9.328 -16.652 -6.378 1.00 1.21 C ATOM 2345 C ALA A 155 -10.182 -16.286 -5.180 1.00 1.08 C ATOM 2346 O ALA A 155 -10.410 -17.131 -4.327 1.00 1.16 O ATOM 2347 CB ALA A 155 -7.908 -16.095 -6.243 1.00 1.21 C ATOM 0 H ALA A 155 -9.390 -15.434 -8.061 1.00 1.26 H new ATOM 0 HA ALA A 155 -9.265 -17.739 -6.418 1.00 1.21 H new ATOM 0 HB1 ALA A 155 -7.458 -16.466 -5.322 1.00 1.21 H new ATOM 0 HB2 ALA A 155 -7.309 -16.416 -7.095 1.00 1.21 H new ATOM 0 HB3 ALA A 155 -7.945 -15.006 -6.215 1.00 1.21 H new ATOM 2353 N VAL A 156 -10.696 -15.061 -5.114 1.00 0.94 N ATOM 2354 CA VAL A 156 -11.589 -14.650 -4.044 1.00 0.87 C ATOM 2355 C VAL A 156 -12.832 -15.534 -4.065 1.00 1.04 C ATOM 2356 O VAL A 156 -13.420 -15.777 -3.019 1.00 1.10 O ATOM 2357 CB VAL A 156 -11.911 -13.154 -4.203 1.00 0.81 C ATOM 2358 CG1 VAL A 156 -13.191 -12.715 -3.497 1.00 0.84 C ATOM 2359 CG2 VAL A 156 -10.747 -12.313 -3.663 1.00 0.72 C ATOM 0 H VAL A 156 -10.504 -14.331 -5.800 1.00 0.94 H new ATOM 0 HA VAL A 156 -11.121 -14.776 -3.068 1.00 0.87 H new ATOM 0 HB VAL A 156 -12.061 -12.995 -5.271 1.00 0.81 H new ATOM 0 HG11 VAL A 156 -13.347 -11.648 -3.657 1.00 0.84 H new ATOM 0 HG12 VAL A 156 -14.038 -13.270 -3.900 1.00 0.84 H new ATOM 0 HG13 VAL A 156 -13.103 -12.913 -2.429 1.00 0.84 H new ATOM 0 HG21 VAL A 156 -10.979 -11.254 -3.778 1.00 0.72 H new ATOM 0 HG22 VAL A 156 -10.594 -12.539 -2.608 1.00 0.72 H new ATOM 0 HG23 VAL A 156 -9.840 -12.548 -4.220 1.00 0.72 H new ATOM 2369 N ALA A 157 -13.229 -16.032 -5.238 1.00 1.18 N ATOM 2370 CA ALA A 157 -14.401 -16.886 -5.319 1.00 1.38 C ATOM 2371 C ALA A 157 -14.043 -18.268 -4.780 1.00 1.43 C ATOM 2372 O ALA A 157 -14.752 -18.834 -3.959 1.00 1.52 O ATOM 2373 CB ALA A 157 -14.918 -16.943 -6.759 1.00 1.60 C ATOM 0 H ALA A 157 -12.761 -15.859 -6.128 1.00 1.18 H new ATOM 0 HA ALA A 157 -15.208 -16.479 -4.710 1.00 1.38 H new ATOM 0 HB1 ALA A 157 -15.797 -17.587 -6.805 1.00 1.60 H new ATOM 0 HB2 ALA A 157 -15.186 -15.939 -7.089 1.00 1.60 H new ATOM 0 HB3 ALA A 157 -14.140 -17.344 -7.409 1.00 1.60 H new ATOM 2379 N ARG A 158 -12.912 -18.823 -5.213 1.00 1.43 N ATOM 2380 CA ARG A 158 -12.495 -20.152 -4.806 1.00 1.54 C ATOM 2381 C ARG A 158 -12.062 -20.174 -3.344 1.00 1.45 C ATOM 2382 O ARG A 158 -11.933 -21.247 -2.760 1.00 1.59 O ATOM 2383 CB ARG A 158 -11.393 -20.646 -5.752 1.00 1.66 C ATOM 2384 CG ARG A 158 -11.271 -22.171 -5.691 1.00 2.05 C ATOM 2385 CD ARG A 158 -10.274 -22.672 -6.739 1.00 1.99 C ATOM 2386 NE ARG A 158 -10.333 -24.136 -6.869 1.00 2.64 N ATOM 2387 CZ ARG A 158 -9.830 -25.026 -6.002 1.00 3.74 C ATOM 2388 NH1 ARG A 158 -10.007 -26.331 -6.213 1.00 4.54 N ATOM 2389 NH2 ARG A 158 -9.158 -24.613 -4.928 1.00 4.57 N ATOM 0 H ARG A 158 -12.266 -18.361 -5.853 1.00 1.43 H new ATOM 0 HA ARG A 158 -13.340 -20.837 -4.879 1.00 1.54 H new ATOM 0 HB2 ARG A 158 -11.616 -20.335 -6.772 1.00 1.66 H new ATOM 0 HB3 ARG A 158 -10.442 -20.189 -5.480 1.00 1.66 H new ATOM 0 HG2 ARG A 158 -10.946 -22.476 -4.696 1.00 2.05 H new ATOM 0 HG3 ARG A 158 -12.246 -22.627 -5.861 1.00 2.05 H new ATOM 0 HD2 ARG A 158 -10.491 -22.209 -7.702 1.00 1.99 H new ATOM 0 HD3 ARG A 158 -9.265 -22.369 -6.460 1.00 1.99 H new ATOM 0 HE ARG A 158 -10.800 -24.509 -7.696 1.00 2.64 H new ATOM 0 HH11 ARG A 158 -10.524 -26.650 -7.033 1.00 4.54 H new ATOM 0 HH12 ARG A 158 -9.625 -27.010 -5.555 1.00 4.54 H new ATOM 0 HH21 ARG A 158 -9.024 -23.615 -4.762 1.00 4.57 H new ATOM 0 HH22 ARG A 158 -8.777 -25.294 -4.271 1.00 4.57 H new ATOM 2403 N ARG A 159 -11.826 -19.003 -2.755 1.00 1.26 N ATOM 2404 CA ARG A 159 -11.427 -18.858 -1.364 1.00 1.17 C ATOM 2405 C ARG A 159 -12.455 -18.056 -0.570 1.00 1.40 C ATOM 2406 O ARG A 159 -12.090 -17.393 0.402 1.00 2.12 O ATOM 2407 CB ARG A 159 -10.051 -18.190 -1.329 1.00 1.62 C ATOM 2408 CG ARG A 159 -8.986 -18.995 -0.580 1.00 2.65 C ATOM 2409 CD ARG A 159 -8.253 -18.147 0.466 1.00 2.55 C ATOM 2410 NE ARG A 159 -8.852 -18.314 1.798 1.00 3.62 N ATOM 2411 CZ ARG A 159 -8.613 -19.352 2.611 1.00 4.50 C ATOM 2412 NH1 ARG A 159 -9.170 -19.402 3.822 1.00 6.12 N ATOM 2413 NH2 ARG A 159 -7.815 -20.345 2.211 1.00 4.58 N ATOM 0 H ARG A 159 -11.910 -18.112 -3.245 1.00 1.26 H new ATOM 0 HA ARG A 159 -11.372 -19.840 -0.893 1.00 1.17 H new ATOM 0 HB2 ARG A 159 -9.713 -18.024 -2.352 1.00 1.62 H new ATOM 0 HB3 ARG A 159 -10.146 -17.210 -0.862 1.00 1.62 H new ATOM 0 HG2 ARG A 159 -9.455 -19.849 -0.090 1.00 2.65 H new ATOM 0 HG3 ARG A 159 -8.265 -19.393 -1.293 1.00 2.65 H new ATOM 0 HD2 ARG A 159 -7.202 -18.433 0.498 1.00 2.55 H new ATOM 0 HD3 ARG A 159 -8.289 -17.097 0.177 1.00 2.55 H new ATOM 0 HE ARG A 159 -9.493 -17.591 2.125 1.00 3.62 H new ATOM 0 HH11 ARG A 159 -9.782 -18.648 4.134 1.00 6.12 H new ATOM 0 HH12 ARG A 159 -8.984 -20.195 4.436 1.00 6.12 H new ATOM 0 HH21 ARG A 159 -7.387 -20.314 1.286 1.00 4.58 H new ATOM 0 HH22 ARG A 159 -7.634 -21.135 2.831 1.00 4.58 H new ATOM 2427 N GLU A 160 -13.711 -18.118 -1.009 1.00 1.40 N ATOM 2428 CA GLU A 160 -14.838 -17.526 -0.291 1.00 2.00 C ATOM 2429 C GLU A 160 -14.838 -17.939 1.183 1.00 3.02 C ATOM 2430 O GLU A 160 -15.290 -17.101 1.994 1.00 4.15 O ATOM 2431 CB GLU A 160 -16.178 -17.842 -0.985 1.00 2.20 C ATOM 2432 CG GLU A 160 -16.536 -19.337 -1.046 1.00 2.70 C ATOM 2433 CD GLU A 160 -17.993 -19.556 -1.483 1.00 3.72 C ATOM 2434 OE1 GLU A 160 -18.258 -19.488 -2.705 1.00 4.08 O ATOM 2435 OE2 GLU A 160 -18.838 -19.797 -0.590 1.00 4.85 O ATOM 0 H GLU A 160 -13.977 -18.583 -1.877 1.00 1.40 H new ATOM 0 HA GLU A 160 -14.717 -16.443 -0.317 1.00 2.00 H new ATOM 0 HB2 GLU A 160 -16.975 -17.313 -0.463 1.00 2.20 H new ATOM 0 HB3 GLU A 160 -16.147 -17.449 -2.001 1.00 2.20 H new ATOM 0 HG2 GLU A 160 -15.867 -19.843 -1.742 1.00 2.70 H new ATOM 0 HG3 GLU A 160 -16.378 -19.789 -0.067 1.00 2.70 H new TER 2442 GLU A 160