USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 975 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 Single : A 3 SER OG : rot 30:sc= 0.228 USER MOD Single : A 4 ASN : amide:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.0147 (180deg=-0.15) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.548 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.0146 (180deg=-0.245) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc=-0.00175 (180deg=-0.069) USER MOD Single : A 31 LYS NZ :NH3+ -140:sc= -0.386 (180deg=-2.01!) USER MOD Single : A 32 ASN : amide:sc= -0.612 K(o=-0.61,f=1.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -32:sc= 0.709 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.0076) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0656) USER MOD Single : A 57 GLN : amide:sc= -0.713 K(o=-0.71,f=-5.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0283 K(o=-0.028,f=-1.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -83:sc= 1.2 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= -0.0623 (180deg=-0.477) USER MOD Single : A 88 HIS : no HE2:sc= -0.0431 K(o=-0.043,f=-3.6!) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.5) USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.258) USER MOD Single : A 103 MET CE :methyl -134:sc= -2.62! (180deg=-6.04!) USER MOD Single : A 104 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0159) USER MOD Single : A 106 THR OG1 : rot 173:sc= 0.938 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00937) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -175:sc= 0.0707 (180deg=0.0639) USER MOD Single : A 117 HIS : no HD1:sc= -0.19 X(o=-0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 1.032 -2.042 0.249 1.00 62.24 N ATOM 2 CA SER A 3 1.370 -1.133 -0.840 1.00 4.41 C ATOM 3 C SER A 3 0.685 -1.557 -2.135 1.00 53.21 C ATOM 4 O SER A 3 0.301 -2.714 -2.297 1.00 33.34 O ATOM 5 CB SER A 3 2.886 -1.088 -1.043 1.00 1.31 C ATOM 6 OG SER A 3 3.561 -0.914 0.191 1.00 70.00 O ATOM 0 HA SER A 3 1.016 -0.137 -0.572 1.00 4.41 H new ATOM 0 HB2 SER A 3 3.220 -2.011 -1.517 1.00 1.31 H new ATOM 0 HB3 SER A 3 3.141 -0.272 -1.719 1.00 1.31 H new ATOM 0 HG SER A 3 3.037 -1.324 0.911 1.00 70.00 H new ATOM 12 N ASN A 4 0.535 -0.610 -3.056 1.00 12.35 N ATOM 13 CA ASN A 4 -0.105 -0.884 -4.337 1.00 40.11 C ATOM 14 C ASN A 4 0.749 -1.825 -5.181 1.00 71.31 C ATOM 15 O ASN A 4 0.278 -2.868 -5.634 1.00 62.15 O ATOM 16 CB ASN A 4 -0.350 0.421 -5.098 1.00 23.20 C ATOM 17 CG ASN A 4 -0.875 0.182 -6.500 1.00 40.35 C ATOM 18 OD1 ASN A 4 -2.074 -0.010 -6.702 1.00 12.32 O ATOM 19 ND2 ASN A 4 0.023 0.193 -7.478 1.00 44.44 N ATOM 0 H ASN A 4 0.848 0.354 -2.939 1.00 12.35 H new ATOM 0 HA ASN A 4 -1.062 -1.368 -4.141 1.00 40.11 H new ATOM 0 HB2 ASN A 4 -1.063 1.033 -4.545 1.00 23.20 H new ATOM 0 HB3 ASN A 4 0.580 0.987 -5.153 1.00 23.20 H new ATOM 0 HD21 ASN A 4 -0.271 0.038 -8.442 1.00 44.44 H new ATOM 0 HD22 ASN A 4 1.007 0.356 -7.265 1.00 44.44 H new ATOM 26 N ALA A 5 2.007 -1.450 -5.387 1.00 0.21 N ATOM 27 CA ALA A 5 2.927 -2.261 -6.174 1.00 25.24 C ATOM 28 C ALA A 5 3.815 -3.114 -5.273 1.00 41.51 C ATOM 29 O ALA A 5 4.820 -3.666 -5.719 1.00 0.23 O ATOM 30 CB ALA A 5 3.779 -1.374 -7.070 1.00 73.43 C ATOM 0 H ALA A 5 2.412 -0.589 -5.019 1.00 0.21 H new ATOM 0 HA ALA A 5 2.337 -2.931 -6.800 1.00 25.24 H new ATOM 0 HB1 ALA A 5 4.462 -1.993 -7.652 1.00 73.43 H new ATOM 0 HB2 ALA A 5 3.134 -0.812 -7.745 1.00 73.43 H new ATOM 0 HB3 ALA A 5 4.353 -0.680 -6.456 1.00 73.43 H new ATOM 36 N GLY A 6 3.437 -3.216 -4.002 1.00 41.53 N ATOM 37 CA GLY A 6 4.211 -4.002 -3.059 1.00 54.41 C ATOM 38 C GLY A 6 4.253 -5.472 -3.427 1.00 11.42 C ATOM 39 O GLY A 6 5.186 -6.184 -3.058 1.00 11.04 O ATOM 0 H GLY A 6 2.609 -2.768 -3.609 1.00 41.53 H new ATOM 0 HA2 GLY A 6 5.228 -3.612 -3.015 1.00 54.41 H new ATOM 0 HA3 GLY A 6 3.784 -3.892 -2.062 1.00 54.41 H new ATOM 43 N ALA A 7 3.239 -5.927 -4.155 1.00 33.11 N ATOM 44 CA ALA A 7 3.164 -7.322 -4.573 1.00 0.44 C ATOM 45 C ALA A 7 4.288 -7.664 -5.544 1.00 70.55 C ATOM 46 O ALA A 7 4.893 -8.733 -5.456 1.00 72.52 O ATOM 47 CB ALA A 7 1.811 -7.611 -5.205 1.00 34.55 C ATOM 0 H ALA A 7 2.458 -5.350 -4.468 1.00 33.11 H new ATOM 0 HA ALA A 7 3.280 -7.948 -3.688 1.00 0.44 H new ATOM 0 HB1 ALA A 7 1.769 -8.656 -5.512 1.00 34.55 H new ATOM 0 HB2 ALA A 7 1.021 -7.414 -4.480 1.00 34.55 H new ATOM 0 HB3 ALA A 7 1.672 -6.971 -6.076 1.00 34.55 H new ATOM 53 N ILE A 8 4.562 -6.752 -6.471 1.00 31.03 N ATOM 54 CA ILE A 8 5.614 -6.959 -7.458 1.00 53.34 C ATOM 55 C ILE A 8 6.995 -6.789 -6.835 1.00 13.14 C ATOM 56 O ILE A 8 7.952 -7.452 -7.232 1.00 22.02 O ATOM 57 CB ILE A 8 5.474 -5.983 -8.642 1.00 71.31 C ATOM 58 CG1 ILE A 8 4.080 -6.096 -9.262 1.00 14.31 C ATOM 59 CG2 ILE A 8 6.547 -6.259 -9.685 1.00 11.21 C ATOM 60 CD1 ILE A 8 3.095 -5.082 -8.723 1.00 1.32 C ATOM 0 H ILE A 8 4.070 -5.863 -6.559 1.00 31.03 H new ATOM 0 HA ILE A 8 5.507 -7.980 -7.824 1.00 53.34 H new ATOM 0 HB ILE A 8 5.606 -4.966 -8.273 1.00 71.31 H new ATOM 0 HG12 ILE A 8 4.161 -5.974 -10.342 1.00 14.31 H new ATOM 0 HG13 ILE A 8 3.692 -7.099 -9.083 1.00 14.31 H new ATOM 0 HG21 ILE A 8 6.435 -5.562 -10.515 1.00 11.21 H new ATOM 0 HG22 ILE A 8 7.532 -6.133 -9.236 1.00 11.21 H new ATOM 0 HG23 ILE A 8 6.443 -7.280 -10.052 1.00 11.21 H new ATOM 0 HD11 ILE A 8 2.128 -5.221 -9.207 1.00 1.32 H new ATOM 0 HD12 ILE A 8 2.985 -5.218 -7.647 1.00 1.32 H new ATOM 0 HD13 ILE A 8 3.461 -4.076 -8.926 1.00 1.32 H new ATOM 72 N ALA A 9 7.089 -5.897 -5.854 1.00 4.01 N ATOM 73 CA ALA A 9 8.352 -5.643 -5.172 1.00 2.41 C ATOM 74 C ALA A 9 8.775 -6.844 -4.334 1.00 22.23 C ATOM 75 O ALA A 9 9.966 -7.094 -4.144 1.00 12.23 O ATOM 76 CB ALA A 9 8.240 -4.401 -4.299 1.00 61.14 C ATOM 0 H ALA A 9 6.306 -5.339 -5.514 1.00 4.01 H new ATOM 0 HA ALA A 9 9.118 -5.474 -5.929 1.00 2.41 H new ATOM 0 HB1 ALA A 9 9.190 -4.223 -3.796 1.00 61.14 H new ATOM 0 HB2 ALA A 9 7.992 -3.541 -4.920 1.00 61.14 H new ATOM 0 HB3 ALA A 9 7.457 -4.549 -3.555 1.00 61.14 H new ATOM 82 N LYS A 10 7.793 -7.586 -3.833 1.00 51.22 N ATOM 83 CA LYS A 10 8.062 -8.762 -3.015 1.00 63.32 C ATOM 84 C LYS A 10 8.747 -9.850 -3.836 1.00 21.51 C ATOM 85 O LYS A 10 9.286 -10.811 -3.285 1.00 22.30 O ATOM 86 CB LYS A 10 6.761 -9.302 -2.418 1.00 20.25 C ATOM 87 CG LYS A 10 6.967 -10.133 -1.163 1.00 13.24 C ATOM 88 CD LYS A 10 7.228 -9.255 0.050 1.00 24.41 C ATOM 89 CE LYS A 10 7.897 -10.038 1.170 1.00 45.40 C ATOM 90 NZ LYS A 10 8.654 -9.147 2.093 1.00 30.23 N ATOM 0 H LYS A 10 6.802 -7.393 -3.980 1.00 51.22 H new ATOM 0 HA LYS A 10 8.730 -8.466 -2.206 1.00 63.32 H new ATOM 0 HB2 LYS A 10 6.103 -8.465 -2.185 1.00 20.25 H new ATOM 0 HB3 LYS A 10 6.252 -9.909 -3.166 1.00 20.25 H new ATOM 0 HG2 LYS A 10 6.086 -10.749 -0.985 1.00 13.24 H new ATOM 0 HG3 LYS A 10 7.807 -10.812 -1.309 1.00 13.24 H new ATOM 0 HD2 LYS A 10 7.861 -8.415 -0.237 1.00 24.41 H new ATOM 0 HD3 LYS A 10 6.287 -8.838 0.408 1.00 24.41 H new ATOM 0 HE2 LYS A 10 7.141 -10.586 1.732 1.00 45.40 H new ATOM 0 HE3 LYS A 10 8.574 -10.778 0.742 1.00 45.40 H new ATOM 0 HZ1 LYS A 10 9.095 -9.718 2.842 1.00 30.23 H new ATOM 0 HZ2 LYS A 10 9.392 -8.643 1.561 1.00 30.23 H new ATOM 0 HZ3 LYS A 10 8.004 -8.457 2.521 1.00 30.23 H new ATOM 104 N LEU A 11 8.724 -9.693 -5.155 1.00 34.32 N ATOM 105 CA LEU A 11 9.344 -10.662 -6.052 1.00 31.11 C ATOM 106 C LEU A 11 10.852 -10.447 -6.127 1.00 21.02 C ATOM 107 O LEU A 11 11.602 -11.357 -6.482 1.00 73.12 O ATOM 108 CB LEU A 11 8.732 -10.557 -7.450 1.00 1.40 C ATOM 109 CG LEU A 11 7.222 -10.321 -7.506 1.00 23.20 C ATOM 110 CD1 LEU A 11 6.791 -9.955 -8.918 1.00 2.24 C ATOM 111 CD2 LEU A 11 6.472 -11.553 -7.020 1.00 1.31 C ATOM 0 H LEU A 11 8.283 -8.904 -5.627 1.00 34.32 H new ATOM 0 HA LEU A 11 9.157 -11.660 -5.655 1.00 31.11 H new ATOM 0 HB2 LEU A 11 9.227 -9.744 -7.981 1.00 1.40 H new ATOM 0 HB3 LEU A 11 8.956 -11.475 -7.993 1.00 1.40 H new ATOM 0 HG LEU A 11 6.979 -9.488 -6.847 1.00 23.20 H new ATOM 0 HD11 LEU A 11 5.714 -9.791 -8.939 1.00 2.24 H new ATOM 0 HD12 LEU A 11 7.303 -9.045 -9.230 1.00 2.24 H new ATOM 0 HD13 LEU A 11 7.047 -10.767 -9.599 1.00 2.24 H new ATOM 0 HD21 LEU A 11 5.399 -11.368 -7.067 1.00 1.31 H new ATOM 0 HD22 LEU A 11 6.721 -12.404 -7.654 1.00 1.31 H new ATOM 0 HD23 LEU A 11 6.758 -11.771 -5.991 1.00 1.31 H new ATOM 123 N ILE A 12 11.290 -9.239 -5.788 1.00 32.11 N ATOM 124 CA ILE A 12 12.709 -8.906 -5.814 1.00 34.33 C ATOM 125 C ILE A 12 13.516 -9.875 -4.956 1.00 41.31 C ATOM 126 O ILE A 12 14.439 -10.540 -5.428 1.00 13.43 O ATOM 127 CB ILE A 12 12.959 -7.469 -5.320 1.00 32.25 C ATOM 128 CG1 ILE A 12 12.853 -6.481 -6.483 1.00 4.02 C ATOM 129 CG2 ILE A 12 14.323 -7.368 -4.653 1.00 71.24 C ATOM 130 CD1 ILE A 12 13.948 -6.643 -7.514 1.00 43.40 C ATOM 0 H ILE A 12 10.683 -8.475 -5.492 1.00 32.11 H new ATOM 0 HA ILE A 12 13.034 -8.986 -6.851 1.00 34.33 H new ATOM 0 HB ILE A 12 12.197 -7.216 -4.583 1.00 32.25 H new ATOM 0 HG12 ILE A 12 11.886 -6.607 -6.969 1.00 4.02 H new ATOM 0 HG13 ILE A 12 12.882 -5.465 -6.090 1.00 4.02 H new ATOM 0 HG21 ILE A 12 14.485 -6.346 -4.309 1.00 71.24 H new ATOM 0 HG22 ILE A 12 14.363 -8.048 -3.802 1.00 71.24 H new ATOM 0 HG23 ILE A 12 15.099 -7.637 -5.369 1.00 71.24 H new ATOM 0 HD11 ILE A 12 13.810 -5.910 -8.309 1.00 43.40 H new ATOM 0 HD12 ILE A 12 14.918 -6.488 -7.042 1.00 43.40 H new ATOM 0 HD13 ILE A 12 13.906 -7.648 -7.935 1.00 43.40 H new ATOM 142 N PRO A 13 13.161 -9.959 -3.665 1.00 44.12 N ATOM 143 CA PRO A 13 13.839 -10.845 -2.714 1.00 71.44 C ATOM 144 C PRO A 13 13.554 -12.318 -2.990 1.00 52.22 C ATOM 145 O PRO A 13 14.337 -13.193 -2.620 1.00 40.31 O ATOM 146 CB PRO A 13 13.252 -10.431 -1.363 1.00 34.11 C ATOM 147 CG PRO A 13 11.919 -9.852 -1.691 1.00 34.25 C ATOM 148 CD PRO A 13 12.071 -9.196 -3.035 1.00 4.33 C ATOM 0 HA PRO A 13 14.923 -10.750 -2.770 1.00 71.44 H new ATOM 0 HB2 PRO A 13 13.158 -11.286 -0.693 1.00 34.11 H new ATOM 0 HB3 PRO A 13 13.888 -9.701 -0.862 1.00 34.11 H new ATOM 0 HG2 PRO A 13 11.153 -10.627 -1.720 1.00 34.25 H new ATOM 0 HG3 PRO A 13 11.612 -9.128 -0.936 1.00 34.25 H new ATOM 0 HD2 PRO A 13 11.151 -9.254 -3.617 1.00 4.33 H new ATOM 0 HD3 PRO A 13 12.322 -8.140 -2.941 1.00 4.33 H new ATOM 156 N LYS A 14 12.428 -12.585 -3.643 1.00 71.41 N ATOM 157 CA LYS A 14 12.039 -13.952 -3.971 1.00 3.02 C ATOM 158 C LYS A 14 13.154 -14.668 -4.727 1.00 31.24 C ATOM 159 O LYS A 14 13.516 -15.798 -4.395 1.00 43.12 O ATOM 160 CB LYS A 14 10.758 -13.953 -4.808 1.00 44.13 C ATOM 161 CG LYS A 14 9.527 -14.395 -4.036 1.00 63.13 C ATOM 162 CD LYS A 14 8.492 -15.027 -4.952 1.00 24.22 C ATOM 163 CE LYS A 14 8.755 -16.512 -5.149 1.00 22.44 C ATOM 164 NZ LYS A 14 8.427 -17.300 -3.928 1.00 72.23 N ATOM 0 H LYS A 14 11.768 -11.873 -3.956 1.00 71.41 H new ATOM 0 HA LYS A 14 11.856 -14.485 -3.038 1.00 3.02 H new ATOM 0 HB2 LYS A 14 10.590 -12.950 -5.200 1.00 44.13 H new ATOM 0 HB3 LYS A 14 10.895 -14.612 -5.665 1.00 44.13 H new ATOM 0 HG2 LYS A 14 9.817 -15.109 -3.265 1.00 63.13 H new ATOM 0 HG3 LYS A 14 9.088 -13.537 -3.527 1.00 63.13 H new ATOM 0 HD2 LYS A 14 7.497 -14.885 -4.531 1.00 24.22 H new ATOM 0 HD3 LYS A 14 8.504 -14.523 -5.918 1.00 24.22 H new ATOM 0 HE2 LYS A 14 8.162 -16.878 -5.987 1.00 22.44 H new ATOM 0 HE3 LYS A 14 9.803 -16.664 -5.409 1.00 22.44 H new ATOM 0 HZ1 LYS A 14 8.340 -18.306 -4.177 1.00 72.23 H new ATOM 0 HZ2 LYS A 14 9.184 -17.182 -3.225 1.00 72.23 H new ATOM 0 HZ3 LYS A 14 7.528 -16.963 -3.529 1.00 72.23 H new ATOM 178 N LEU A 15 13.695 -14.004 -5.742 1.00 60.51 N ATOM 179 CA LEU A 15 14.770 -14.577 -6.544 1.00 64.44 C ATOM 180 C LEU A 15 16.125 -14.346 -5.883 1.00 64.23 C ATOM 181 O LEU A 15 17.046 -15.148 -6.035 1.00 3.31 O ATOM 182 CB LEU A 15 14.765 -13.970 -7.948 1.00 71.24 C ATOM 183 CG LEU A 15 13.428 -14.004 -8.689 1.00 73.52 C ATOM 184 CD1 LEU A 15 13.231 -12.729 -9.495 1.00 32.55 C ATOM 185 CD2 LEU A 15 13.350 -15.226 -9.594 1.00 1.15 C ATOM 0 H LEU A 15 13.407 -13.069 -6.029 1.00 60.51 H new ATOM 0 HA LEU A 15 14.601 -15.651 -6.619 1.00 64.44 H new ATOM 0 HB2 LEU A 15 15.091 -12.932 -7.875 1.00 71.24 H new ATOM 0 HB3 LEU A 15 15.506 -14.495 -8.552 1.00 71.24 H new ATOM 0 HG LEU A 15 12.628 -14.071 -7.952 1.00 73.52 H new ATOM 0 HD11 LEU A 15 12.274 -12.772 -10.015 1.00 32.55 H new ATOM 0 HD12 LEU A 15 13.242 -11.870 -8.825 1.00 32.55 H new ATOM 0 HD13 LEU A 15 14.036 -12.631 -10.223 1.00 32.55 H new ATOM 0 HD21 LEU A 15 12.392 -15.234 -10.113 1.00 1.15 H new ATOM 0 HD22 LEU A 15 14.158 -15.190 -10.324 1.00 1.15 H new ATOM 0 HD23 LEU A 15 13.444 -16.130 -8.993 1.00 1.15 H new ATOM 197 N GLY A 16 16.239 -13.245 -5.147 1.00 50.21 N ATOM 198 CA GLY A 16 17.484 -12.929 -4.472 1.00 1.11 C ATOM 199 C GLY A 16 17.992 -14.078 -3.624 1.00 34.30 C ATOM 200 O GLY A 16 19.186 -14.374 -3.620 1.00 20.12 O ATOM 0 H GLY A 16 15.491 -12.566 -5.006 1.00 50.21 H new ATOM 0 HA2 GLY A 16 18.239 -12.667 -5.213 1.00 1.11 H new ATOM 0 HA3 GLY A 16 17.339 -12.052 -3.841 1.00 1.11 H new ATOM 204 N GLU A 17 17.082 -14.727 -2.903 1.00 41.40 N ATOM 205 CA GLU A 17 17.446 -15.848 -2.045 1.00 70.44 C ATOM 206 C GLU A 17 18.070 -16.977 -2.861 1.00 43.21 C ATOM 207 O GLU A 17 18.943 -17.699 -2.377 1.00 43.43 O ATOM 208 CB GLU A 17 16.216 -16.366 -1.296 1.00 4.11 C ATOM 209 CG GLU A 17 16.506 -16.775 0.138 1.00 35.25 C ATOM 210 CD GLU A 17 16.904 -15.601 1.011 1.00 2.11 C ATOM 211 OE1 GLU A 17 15.999 -14.915 1.531 1.00 2.21 O ATOM 212 OE2 GLU A 17 18.120 -15.368 1.174 1.00 50.30 O ATOM 0 H GLU A 17 16.089 -14.496 -2.896 1.00 41.40 H new ATOM 0 HA GLU A 17 18.181 -15.495 -1.322 1.00 70.44 H new ATOM 0 HB2 GLU A 17 15.448 -15.592 -1.296 1.00 4.11 H new ATOM 0 HB3 GLU A 17 15.807 -17.221 -1.834 1.00 4.11 H new ATOM 0 HG2 GLU A 17 15.623 -17.254 0.561 1.00 35.25 H new ATOM 0 HG3 GLU A 17 17.305 -17.516 0.146 1.00 35.25 H new ATOM 219 N LEU A 18 17.616 -17.123 -4.101 1.00 24.40 N ATOM 220 CA LEU A 18 18.129 -18.164 -4.985 1.00 62.14 C ATOM 221 C LEU A 18 19.434 -17.726 -5.643 1.00 0.03 C ATOM 222 O LEU A 18 20.068 -18.498 -6.363 1.00 45.43 O ATOM 223 CB LEU A 18 17.094 -18.505 -6.058 1.00 54.04 C ATOM 224 CG LEU A 18 16.536 -19.928 -6.025 1.00 33.23 C ATOM 225 CD1 LEU A 18 17.667 -20.945 -6.030 1.00 34.13 C ATOM 226 CD2 LEU A 18 15.646 -20.124 -4.806 1.00 13.51 C ATOM 0 H LEU A 18 16.894 -16.534 -4.517 1.00 24.40 H new ATOM 0 HA LEU A 18 18.327 -19.051 -4.384 1.00 62.14 H new ATOM 0 HB2 LEU A 18 16.261 -17.808 -5.966 1.00 54.04 H new ATOM 0 HB3 LEU A 18 17.545 -18.336 -7.036 1.00 54.04 H new ATOM 0 HG LEU A 18 15.932 -20.082 -6.919 1.00 33.23 H new ATOM 0 HD11 LEU A 18 17.251 -21.952 -6.006 1.00 34.13 H new ATOM 0 HD12 LEU A 18 18.264 -20.820 -6.933 1.00 34.13 H new ATOM 0 HD13 LEU A 18 18.298 -20.792 -5.154 1.00 34.13 H new ATOM 0 HD21 LEU A 18 15.258 -21.142 -4.799 1.00 13.51 H new ATOM 0 HD22 LEU A 18 16.227 -19.951 -3.900 1.00 13.51 H new ATOM 0 HD23 LEU A 18 14.815 -19.419 -4.845 1.00 13.51 H new ATOM 238 N LEU A 19 19.830 -16.484 -5.388 1.00 45.12 N ATOM 239 CA LEU A 19 21.062 -15.943 -5.953 1.00 52.13 C ATOM 240 C LEU A 19 22.214 -16.058 -4.960 1.00 35.21 C ATOM 241 O LEU A 19 23.355 -15.724 -5.276 1.00 5.44 O ATOM 242 CB LEU A 19 20.863 -14.480 -6.353 1.00 51.14 C ATOM 243 CG LEU A 19 20.758 -14.203 -7.853 1.00 42.45 C ATOM 244 CD1 LEU A 19 19.351 -14.492 -8.353 1.00 64.40 C ATOM 245 CD2 LEU A 19 21.148 -12.764 -8.158 1.00 45.43 C ATOM 0 H LEU A 19 19.317 -15.833 -4.794 1.00 45.12 H new ATOM 0 HA LEU A 19 21.312 -16.526 -6.840 1.00 52.13 H new ATOM 0 HB2 LEU A 19 19.957 -14.113 -5.872 1.00 51.14 H new ATOM 0 HB3 LEU A 19 21.694 -13.899 -5.954 1.00 51.14 H new ATOM 0 HG LEU A 19 21.450 -14.865 -8.374 1.00 42.45 H new ATOM 0 HD11 LEU A 19 19.296 -14.289 -9.423 1.00 64.40 H new ATOM 0 HD12 LEU A 19 19.107 -15.538 -8.169 1.00 64.40 H new ATOM 0 HD13 LEU A 19 18.640 -13.856 -7.826 1.00 64.40 H new ATOM 0 HD21 LEU A 19 21.067 -12.585 -9.230 1.00 45.43 H new ATOM 0 HD22 LEU A 19 20.481 -12.086 -7.625 1.00 45.43 H new ATOM 0 HD23 LEU A 19 22.175 -12.590 -7.837 1.00 45.43 H new ATOM 257 N VAL A 20 21.906 -16.536 -3.758 1.00 61.02 N ATOM 258 CA VAL A 20 22.916 -16.699 -2.719 1.00 71.11 C ATOM 259 C VAL A 20 23.740 -17.961 -2.947 1.00 62.21 C ATOM 260 O VAL A 20 24.908 -18.030 -2.566 1.00 12.01 O ATOM 261 CB VAL A 20 22.276 -16.763 -1.320 1.00 32.14 C ATOM 262 CG1 VAL A 20 21.363 -15.567 -1.095 1.00 31.43 C ATOM 263 CG2 VAL A 20 21.513 -18.067 -1.142 1.00 24.40 C ATOM 0 H VAL A 20 20.966 -16.817 -3.480 1.00 61.02 H new ATOM 0 HA VAL A 20 23.569 -15.828 -2.772 1.00 71.11 H new ATOM 0 HB VAL A 20 23.070 -16.729 -0.575 1.00 32.14 H new ATOM 0 HG11 VAL A 20 20.920 -15.630 -0.101 1.00 31.43 H new ATOM 0 HG12 VAL A 20 21.942 -14.647 -1.177 1.00 31.43 H new ATOM 0 HG13 VAL A 20 20.572 -15.566 -1.845 1.00 31.43 H new ATOM 0 HG21 VAL A 20 21.067 -18.095 -0.148 1.00 24.40 H new ATOM 0 HG22 VAL A 20 20.727 -18.134 -1.894 1.00 24.40 H new ATOM 0 HG23 VAL A 20 22.197 -18.908 -1.257 1.00 24.40 H new ATOM 273 N GLY A 21 23.124 -18.959 -3.573 1.00 34.42 N ATOM 274 CA GLY A 21 23.815 -20.206 -3.842 1.00 24.45 C ATOM 275 C GLY A 21 23.822 -21.135 -2.644 1.00 25.42 C ATOM 276 O GLY A 21 24.742 -21.935 -2.477 1.00 24.32 O ATOM 0 H GLY A 21 22.158 -18.926 -3.899 1.00 34.42 H new ATOM 0 HA2 GLY A 21 23.338 -20.708 -4.684 1.00 24.45 H new ATOM 0 HA3 GLY A 21 24.842 -19.992 -4.138 1.00 24.45 H new ATOM 280 N GLU A 22 22.795 -21.028 -1.807 1.00 73.14 N ATOM 281 CA GLU A 22 22.689 -21.864 -0.618 1.00 35.25 C ATOM 282 C GLU A 22 21.552 -22.873 -0.761 1.00 1.42 C ATOM 283 O GLU A 22 20.481 -22.705 -0.177 1.00 3.44 O ATOM 284 CB GLU A 22 22.463 -20.998 0.623 1.00 11.23 C ATOM 285 CG GLU A 22 22.310 -21.799 1.905 1.00 12.24 C ATOM 286 CD GLU A 22 22.558 -20.965 3.147 1.00 22.13 C ATOM 287 OE1 GLU A 22 23.655 -20.380 3.260 1.00 5.12 O ATOM 288 OE2 GLU A 22 21.654 -20.898 4.007 1.00 43.15 O ATOM 0 H GLU A 22 22.025 -20.371 -1.931 1.00 73.14 H new ATOM 0 HA GLU A 22 23.625 -22.411 -0.506 1.00 35.25 H new ATOM 0 HB2 GLU A 22 23.301 -20.310 0.733 1.00 11.23 H new ATOM 0 HB3 GLU A 22 21.569 -20.392 0.475 1.00 11.23 H new ATOM 0 HG2 GLU A 22 21.305 -22.219 1.949 1.00 12.24 H new ATOM 0 HG3 GLU A 22 23.006 -22.638 1.890 1.00 12.24 H new ATOM 295 N TYR A 23 21.793 -23.919 -1.542 1.00 62.40 N ATOM 296 CA TYR A 23 20.790 -24.954 -1.765 1.00 40.32 C ATOM 297 C TYR A 23 21.449 -26.289 -2.096 1.00 31.54 C ATOM 298 O TYR A 23 22.673 -26.417 -2.064 1.00 41.41 O ATOM 299 CB TYR A 23 19.847 -24.543 -2.898 1.00 23.42 C ATOM 300 CG TYR A 23 18.987 -23.345 -2.566 1.00 4.14 C ATOM 301 CD1 TYR A 23 19.425 -22.055 -2.839 1.00 55.51 C ATOM 302 CD2 TYR A 23 17.739 -23.502 -1.978 1.00 34.55 C ATOM 303 CE1 TYR A 23 18.643 -20.956 -2.537 1.00 33.42 C ATOM 304 CE2 TYR A 23 16.949 -22.410 -1.673 1.00 64.32 C ATOM 305 CZ TYR A 23 17.406 -21.139 -1.954 1.00 72.54 C ATOM 306 OH TYR A 23 16.623 -20.049 -1.651 1.00 43.14 O ATOM 0 H TYR A 23 22.674 -24.073 -2.032 1.00 62.40 H new ATOM 0 HA TYR A 23 20.215 -25.072 -0.846 1.00 40.32 H new ATOM 0 HB2 TYR A 23 20.437 -24.321 -3.787 1.00 23.42 H new ATOM 0 HB3 TYR A 23 19.201 -25.386 -3.146 1.00 23.42 H new ATOM 0 HD1 TYR A 23 20.393 -21.908 -3.295 1.00 55.51 H new ATOM 0 HD2 TYR A 23 17.379 -24.496 -1.755 1.00 34.55 H new ATOM 0 HE1 TYR A 23 18.998 -19.960 -2.756 1.00 33.42 H new ATOM 0 HE2 TYR A 23 15.980 -22.551 -1.218 1.00 64.32 H new ATOM 0 HH TYR A 23 15.783 -20.352 -1.247 1.00 43.14 H new ATOM 316 N LYS A 24 20.627 -27.284 -2.414 1.00 23.25 N ATOM 317 CA LYS A 24 21.127 -28.611 -2.752 1.00 61.33 C ATOM 318 C LYS A 24 20.968 -28.888 -4.244 1.00 24.10 C ATOM 319 O LYS A 24 20.351 -29.878 -4.640 1.00 5.11 O ATOM 320 CB LYS A 24 20.388 -29.679 -1.943 1.00 74.22 C ATOM 321 CG LYS A 24 21.065 -31.038 -1.968 1.00 20.53 C ATOM 322 CD LYS A 24 22.053 -31.190 -0.823 1.00 33.01 C ATOM 323 CE LYS A 24 22.982 -32.374 -1.042 1.00 32.35 C ATOM 324 NZ LYS A 24 23.936 -32.132 -2.159 1.00 11.11 N ATOM 0 H LYS A 24 19.611 -27.196 -2.445 1.00 23.25 H new ATOM 0 HA LYS A 24 22.188 -28.646 -2.504 1.00 61.33 H new ATOM 0 HB2 LYS A 24 20.302 -29.345 -0.909 1.00 74.22 H new ATOM 0 HB3 LYS A 24 19.374 -29.780 -2.331 1.00 74.22 H new ATOM 0 HG2 LYS A 24 20.311 -31.822 -1.906 1.00 20.53 H new ATOM 0 HG3 LYS A 24 21.584 -31.170 -2.917 1.00 20.53 H new ATOM 0 HD2 LYS A 24 22.641 -30.278 -0.725 1.00 33.01 H new ATOM 0 HD3 LYS A 24 21.510 -31.321 0.113 1.00 33.01 H new ATOM 0 HE2 LYS A 24 23.538 -32.573 -0.126 1.00 32.35 H new ATOM 0 HE3 LYS A 24 22.391 -33.265 -1.256 1.00 32.35 H new ATOM 0 HZ1 LYS A 24 24.731 -32.799 -2.088 1.00 11.11 H new ATOM 0 HZ2 LYS A 24 23.449 -32.269 -3.068 1.00 11.11 H new ATOM 0 HZ3 LYS A 24 24.296 -31.158 -2.103 1.00 11.11 H new ATOM 338 N LEU A 25 21.530 -28.009 -5.067 1.00 35.21 N ATOM 339 CA LEU A 25 21.452 -28.160 -6.516 1.00 14.21 C ATOM 340 C LEU A 25 22.684 -27.568 -7.192 1.00 1.10 C ATOM 341 O LEU A 25 23.520 -26.939 -6.542 1.00 51.10 O ATOM 342 CB LEU A 25 20.188 -27.484 -7.051 1.00 41.04 C ATOM 343 CG LEU A 25 19.957 -26.041 -6.602 1.00 12.12 C ATOM 344 CD1 LEU A 25 19.823 -25.122 -7.806 1.00 1.41 C ATOM 345 CD2 LEU A 25 18.721 -25.949 -5.719 1.00 30.14 C ATOM 0 H LEU A 25 22.044 -27.185 -4.756 1.00 35.21 H new ATOM 0 HA LEU A 25 21.412 -29.225 -6.744 1.00 14.21 H new ATOM 0 HB2 LEU A 25 20.223 -27.503 -8.140 1.00 41.04 H new ATOM 0 HB3 LEU A 25 19.326 -28.080 -6.749 1.00 41.04 H new ATOM 0 HG LEU A 25 20.820 -25.719 -6.020 1.00 12.12 H new ATOM 0 HD11 LEU A 25 19.659 -24.099 -7.467 1.00 1.41 H new ATOM 0 HD12 LEU A 25 20.736 -25.165 -8.400 1.00 1.41 H new ATOM 0 HD13 LEU A 25 18.978 -25.442 -8.416 1.00 1.41 H new ATOM 0 HD21 LEU A 25 18.572 -24.915 -5.409 1.00 30.14 H new ATOM 0 HD22 LEU A 25 17.849 -26.290 -6.277 1.00 30.14 H new ATOM 0 HD23 LEU A 25 18.856 -26.576 -4.838 1.00 30.14 H new ATOM 357 N HIS A 26 22.790 -27.772 -8.501 1.00 52.53 N ATOM 358 CA HIS A 26 23.919 -27.255 -9.267 1.00 22.44 C ATOM 359 C HIS A 26 24.120 -25.766 -9.001 1.00 63.51 C ATOM 360 O HIS A 26 23.161 -24.996 -8.966 1.00 53.13 O ATOM 361 CB HIS A 26 23.701 -27.494 -10.761 1.00 44.00 C ATOM 362 CG HIS A 26 24.062 -28.878 -11.205 1.00 74.23 C ATOM 363 ND1 HIS A 26 23.976 -29.980 -10.380 1.00 52.42 N ATOM 364 CD2 HIS A 26 24.509 -29.337 -12.398 1.00 2.05 C ATOM 365 CE1 HIS A 26 24.357 -31.056 -11.045 1.00 52.21 C ATOM 366 NE2 HIS A 26 24.685 -30.693 -12.272 1.00 21.11 N ATOM 0 H HIS A 26 22.108 -28.292 -9.054 1.00 52.53 H new ATOM 0 HA HIS A 26 24.816 -27.787 -8.949 1.00 22.44 H new ATOM 0 HB2 HIS A 26 22.655 -27.305 -11.002 1.00 44.00 H new ATOM 0 HB3 HIS A 26 24.293 -26.774 -11.326 1.00 44.00 H new ATOM 0 HD2 HIS A 26 24.693 -28.747 -13.283 1.00 2.05 H new ATOM 0 HE1 HIS A 26 24.394 -32.061 -10.652 1.00 52.21 H new ATOM 0 HE2 HIS A 26 25.015 -31.319 -13.007 1.00 21.11 H new ATOM 374 N LYS A 27 25.374 -25.368 -8.813 1.00 51.03 N ATOM 375 CA LYS A 27 25.702 -23.972 -8.551 1.00 43.23 C ATOM 376 C LYS A 27 25.506 -23.122 -9.803 1.00 32.41 C ATOM 377 O LYS A 27 25.527 -21.894 -9.741 1.00 1.11 O ATOM 378 CB LYS A 27 27.147 -23.850 -8.061 1.00 13.43 C ATOM 379 CG LYS A 27 27.287 -23.947 -6.551 1.00 72.34 C ATOM 380 CD LYS A 27 27.108 -25.376 -6.066 1.00 71.12 C ATOM 381 CE LYS A 27 27.352 -25.491 -4.569 1.00 70.03 C ATOM 382 NZ LYS A 27 28.805 -25.515 -4.244 1.00 41.25 N ATOM 0 H LYS A 27 26.180 -25.993 -8.837 1.00 51.03 H new ATOM 0 HA LYS A 27 25.029 -23.606 -7.776 1.00 43.23 H new ATOM 0 HB2 LYS A 27 27.746 -24.634 -8.524 1.00 13.43 H new ATOM 0 HB3 LYS A 27 27.556 -22.896 -8.395 1.00 13.43 H new ATOM 0 HG2 LYS A 27 28.269 -23.580 -6.251 1.00 72.34 H new ATOM 0 HG3 LYS A 27 26.547 -23.304 -6.074 1.00 72.34 H new ATOM 0 HD2 LYS A 27 26.099 -25.717 -6.299 1.00 71.12 H new ATOM 0 HD3 LYS A 27 27.797 -26.031 -6.599 1.00 71.12 H new ATOM 0 HE2 LYS A 27 26.880 -24.652 -4.059 1.00 70.03 H new ATOM 0 HE3 LYS A 27 26.881 -26.399 -4.193 1.00 70.03 H new ATOM 0 HZ1 LYS A 27 28.929 -25.594 -3.214 1.00 41.25 H new ATOM 0 HZ2 LYS A 27 29.252 -26.330 -4.710 1.00 41.25 H new ATOM 0 HZ3 LYS A 27 29.250 -24.637 -4.580 1.00 41.25 H new ATOM 396 N GLY A 28 25.313 -23.786 -10.939 1.00 20.00 N ATOM 397 CA GLY A 28 25.114 -23.075 -12.189 1.00 21.44 C ATOM 398 C GLY A 28 23.682 -22.612 -12.370 1.00 44.14 C ATOM 399 O GLY A 28 23.419 -21.662 -13.107 1.00 55.42 O ATOM 0 H GLY A 28 25.291 -24.803 -11.016 1.00 20.00 H new ATOM 0 HA2 GLY A 28 25.779 -22.212 -12.222 1.00 21.44 H new ATOM 0 HA3 GLY A 28 25.391 -23.723 -13.020 1.00 21.44 H new ATOM 403 N VAL A 29 22.754 -23.285 -11.698 1.00 60.54 N ATOM 404 CA VAL A 29 21.341 -22.938 -11.790 1.00 0.33 C ATOM 405 C VAL A 29 21.085 -21.533 -11.255 1.00 61.20 C ATOM 406 O VAL A 29 20.413 -20.725 -11.897 1.00 23.13 O ATOM 407 CB VAL A 29 20.465 -23.939 -11.012 1.00 44.54 C ATOM 408 CG1 VAL A 29 18.990 -23.656 -11.252 1.00 41.11 C ATOM 409 CG2 VAL A 29 20.814 -25.367 -11.404 1.00 14.40 C ATOM 0 H VAL A 29 22.955 -24.074 -11.084 1.00 60.54 H new ATOM 0 HA VAL A 29 21.073 -22.977 -12.846 1.00 0.33 H new ATOM 0 HB VAL A 29 20.664 -23.820 -9.947 1.00 44.54 H new ATOM 0 HG11 VAL A 29 18.387 -24.373 -10.695 1.00 41.11 H new ATOM 0 HG12 VAL A 29 18.754 -22.646 -10.918 1.00 41.11 H new ATOM 0 HG13 VAL A 29 18.771 -23.747 -12.316 1.00 41.11 H new ATOM 0 HG21 VAL A 29 20.186 -26.061 -10.845 1.00 14.40 H new ATOM 0 HG22 VAL A 29 20.644 -25.503 -12.472 1.00 14.40 H new ATOM 0 HG23 VAL A 29 21.862 -25.561 -11.176 1.00 14.40 H new ATOM 419 N LYS A 30 21.625 -21.248 -10.075 1.00 45.32 N ATOM 420 CA LYS A 30 21.458 -19.940 -9.453 1.00 2.31 C ATOM 421 C LYS A 30 21.905 -18.827 -10.396 1.00 70.31 C ATOM 422 O LYS A 30 21.372 -17.718 -10.361 1.00 50.02 O ATOM 423 CB LYS A 30 22.255 -19.867 -8.148 1.00 73.22 C ATOM 424 CG LYS A 30 23.757 -19.790 -8.356 1.00 63.54 C ATOM 425 CD LYS A 30 24.250 -18.353 -8.337 1.00 63.30 C ATOM 426 CE LYS A 30 24.462 -17.856 -6.915 1.00 43.14 C ATOM 427 NZ LYS A 30 25.694 -18.429 -6.305 1.00 34.50 N ATOM 0 H LYS A 30 22.182 -21.906 -9.530 1.00 45.32 H new ATOM 0 HA LYS A 30 20.399 -19.803 -9.234 1.00 2.31 H new ATOM 0 HB2 LYS A 30 21.930 -18.994 -7.582 1.00 73.22 H new ATOM 0 HB3 LYS A 30 22.025 -20.743 -7.542 1.00 73.22 H new ATOM 0 HG2 LYS A 30 24.263 -20.359 -7.576 1.00 63.54 H new ATOM 0 HG3 LYS A 30 24.017 -20.252 -9.308 1.00 63.54 H new ATOM 0 HD2 LYS A 30 25.185 -18.281 -8.892 1.00 63.30 H new ATOM 0 HD3 LYS A 30 23.528 -17.713 -8.844 1.00 63.30 H new ATOM 0 HE2 LYS A 30 24.530 -16.768 -6.917 1.00 43.14 H new ATOM 0 HE3 LYS A 30 23.598 -18.120 -6.305 1.00 43.14 H new ATOM 0 HZ1 LYS A 30 25.906 -17.931 -5.417 1.00 34.50 H new ATOM 0 HZ2 LYS A 30 25.546 -19.440 -6.108 1.00 34.50 H new ATOM 0 HZ3 LYS A 30 26.491 -18.317 -6.963 1.00 34.50 H new ATOM 441 N LYS A 31 22.886 -19.131 -11.240 1.00 34.34 N ATOM 442 CA LYS A 31 23.403 -18.159 -12.195 1.00 12.32 C ATOM 443 C LYS A 31 22.298 -17.669 -13.125 1.00 15.21 C ATOM 444 O LYS A 31 22.277 -16.504 -13.520 1.00 12.24 O ATOM 445 CB LYS A 31 24.539 -18.773 -13.015 1.00 61.32 C ATOM 446 CG LYS A 31 25.638 -19.388 -12.166 1.00 63.44 C ATOM 447 CD LYS A 31 26.789 -19.889 -13.022 1.00 64.54 C ATOM 448 CE LYS A 31 27.708 -18.752 -13.442 1.00 24.33 C ATOM 449 NZ LYS A 31 27.256 -18.112 -14.708 1.00 65.10 N ATOM 0 H LYS A 31 23.339 -20.044 -11.281 1.00 34.34 H new ATOM 0 HA LYS A 31 23.787 -17.306 -11.635 1.00 12.32 H new ATOM 0 HB2 LYS A 31 24.128 -19.539 -13.673 1.00 61.32 H new ATOM 0 HB3 LYS A 31 24.972 -18.003 -13.653 1.00 61.32 H new ATOM 0 HG2 LYS A 31 26.007 -18.649 -11.455 1.00 63.44 H new ATOM 0 HG3 LYS A 31 25.230 -20.214 -11.584 1.00 63.44 H new ATOM 0 HD2 LYS A 31 27.360 -20.633 -12.467 1.00 64.54 H new ATOM 0 HD3 LYS A 31 26.395 -20.386 -13.908 1.00 64.54 H new ATOM 0 HE2 LYS A 31 27.745 -18.004 -12.650 1.00 24.33 H new ATOM 0 HE3 LYS A 31 28.722 -19.132 -13.569 1.00 24.33 H new ATOM 0 HZ1 LYS A 31 28.082 -17.893 -15.301 1.00 65.10 H new ATOM 0 HZ2 LYS A 31 26.625 -18.762 -15.219 1.00 65.10 H new ATOM 0 HZ3 LYS A 31 26.745 -17.233 -14.489 1.00 65.10 H new ATOM 463 N ASN A 32 21.380 -18.566 -13.470 1.00 33.01 N ATOM 464 CA ASN A 32 20.271 -18.224 -14.353 1.00 35.00 C ATOM 465 C ASN A 32 19.208 -17.422 -13.607 1.00 23.42 C ATOM 466 O ASN A 32 18.547 -16.560 -14.186 1.00 11.14 O ATOM 467 CB ASN A 32 19.649 -19.493 -14.940 1.00 50.22 C ATOM 468 CG ASN A 32 18.788 -19.206 -16.155 1.00 43.04 C ATOM 469 OD1 ASN A 32 17.591 -19.494 -16.164 1.00 64.22 O ATOM 470 ND2 ASN A 32 19.396 -18.636 -17.189 1.00 51.53 N ATOM 0 H ASN A 32 21.382 -19.535 -13.152 1.00 33.01 H new ATOM 0 HA ASN A 32 20.662 -17.610 -15.164 1.00 35.00 H new ATOM 0 HB2 ASN A 32 20.441 -20.189 -15.216 1.00 50.22 H new ATOM 0 HB3 ASN A 32 19.045 -19.984 -14.178 1.00 50.22 H new ATOM 0 HD21 ASN A 32 18.869 -18.419 -18.035 1.00 51.53 H new ATOM 0 HD22 ASN A 32 20.390 -18.415 -17.137 1.00 51.53 H new ATOM 477 N ILE A 33 19.051 -17.713 -12.320 1.00 4.22 N ATOM 478 CA ILE A 33 18.071 -17.018 -11.494 1.00 63.04 C ATOM 479 C ILE A 33 18.262 -15.507 -11.569 1.00 51.12 C ATOM 480 O ILE A 33 17.292 -14.750 -11.592 1.00 1.01 O ATOM 481 CB ILE A 33 18.158 -17.463 -10.023 1.00 2.15 C ATOM 482 CG1 ILE A 33 18.041 -18.985 -9.919 1.00 44.02 C ATOM 483 CG2 ILE A 33 17.072 -16.786 -9.200 1.00 5.25 C ATOM 484 CD1 ILE A 33 16.760 -19.534 -10.507 1.00 0.23 C ATOM 0 H ILE A 33 19.590 -18.425 -11.827 1.00 4.22 H new ATOM 0 HA ILE A 33 17.087 -17.277 -11.886 1.00 63.04 H new ATOM 0 HB ILE A 33 19.128 -17.164 -9.626 1.00 2.15 H new ATOM 0 HG12 ILE A 33 18.890 -19.442 -10.427 1.00 44.02 H new ATOM 0 HG13 ILE A 33 18.104 -19.275 -8.870 1.00 44.02 H new ATOM 0 HG21 ILE A 33 17.146 -17.111 -8.162 1.00 5.25 H new ATOM 0 HG22 ILE A 33 17.197 -15.704 -9.252 1.00 5.25 H new ATOM 0 HG23 ILE A 33 16.093 -17.057 -9.596 1.00 5.25 H new ATOM 0 HD11 ILE A 33 16.745 -20.618 -10.398 1.00 0.23 H new ATOM 0 HD12 ILE A 33 15.906 -19.105 -9.983 1.00 0.23 H new ATOM 0 HD13 ILE A 33 16.704 -19.275 -11.564 1.00 0.23 H new ATOM 496 N GLU A 34 19.519 -15.076 -11.609 1.00 52.30 N ATOM 497 CA GLU A 34 19.836 -13.654 -11.683 1.00 30.34 C ATOM 498 C GLU A 34 19.078 -12.986 -12.826 1.00 62.23 C ATOM 499 O GLU A 34 18.737 -11.806 -12.753 1.00 42.50 O ATOM 500 CB GLU A 34 21.342 -13.454 -11.868 1.00 74.00 C ATOM 501 CG GLU A 34 21.807 -13.633 -13.303 1.00 41.33 C ATOM 502 CD GLU A 34 23.295 -13.907 -13.404 1.00 70.31 C ATOM 503 OE1 GLU A 34 23.827 -14.625 -12.532 1.00 32.13 O ATOM 504 OE2 GLU A 34 23.927 -13.404 -14.356 1.00 63.14 O ATOM 0 H GLU A 34 20.333 -15.690 -11.591 1.00 52.30 H new ATOM 0 HA GLU A 34 19.528 -13.190 -10.746 1.00 30.34 H new ATOM 0 HB2 GLU A 34 21.612 -12.454 -11.530 1.00 74.00 H new ATOM 0 HB3 GLU A 34 21.875 -14.160 -11.231 1.00 74.00 H new ATOM 0 HG2 GLU A 34 21.258 -14.457 -13.759 1.00 41.33 H new ATOM 0 HG3 GLU A 34 21.567 -12.736 -13.873 1.00 41.33 H new ATOM 511 N ASP A 35 18.819 -13.750 -13.882 1.00 1.21 N ATOM 512 CA ASP A 35 18.101 -13.233 -15.042 1.00 25.24 C ATOM 513 C ASP A 35 16.688 -12.806 -14.660 1.00 34.32 C ATOM 514 O ASP A 35 16.265 -11.687 -14.954 1.00 32.25 O ATOM 515 CB ASP A 35 18.048 -14.289 -16.147 1.00 32.12 C ATOM 516 CG ASP A 35 19.422 -14.812 -16.515 1.00 63.12 C ATOM 517 OD1 ASP A 35 20.424 -14.198 -16.091 1.00 62.25 O ATOM 518 OD2 ASP A 35 19.496 -15.836 -17.226 1.00 42.44 O ATOM 0 H ASP A 35 19.095 -14.729 -13.959 1.00 1.21 H new ATOM 0 HA ASP A 35 18.637 -12.359 -15.411 1.00 25.24 H new ATOM 0 HB2 ASP A 35 17.422 -15.120 -15.822 1.00 32.12 H new ATOM 0 HB3 ASP A 35 17.576 -13.861 -17.032 1.00 32.12 H new ATOM 523 N LEU A 36 15.960 -13.705 -14.005 1.00 5.41 N ATOM 524 CA LEU A 36 14.593 -13.422 -13.583 1.00 52.34 C ATOM 525 C LEU A 36 14.538 -12.167 -12.717 1.00 63.33 C ATOM 526 O LEU A 36 13.642 -11.335 -12.866 1.00 63.42 O ATOM 527 CB LEU A 36 14.019 -14.612 -12.813 1.00 71.33 C ATOM 528 CG LEU A 36 13.121 -15.558 -13.612 1.00 25.54 C ATOM 529 CD1 LEU A 36 12.748 -16.773 -12.775 1.00 50.53 C ATOM 530 CD2 LEU A 36 11.872 -14.833 -14.089 1.00 1.41 C ATOM 0 H LEU A 36 16.294 -14.636 -13.755 1.00 5.41 H new ATOM 0 HA LEU A 36 13.992 -13.251 -14.476 1.00 52.34 H new ATOM 0 HB2 LEU A 36 14.849 -15.189 -12.404 1.00 71.33 H new ATOM 0 HB3 LEU A 36 13.449 -14.230 -11.966 1.00 71.33 H new ATOM 0 HG LEU A 36 13.674 -15.900 -14.487 1.00 25.54 H new ATOM 0 HD11 LEU A 36 12.109 -17.435 -13.359 1.00 50.53 H new ATOM 0 HD12 LEU A 36 13.653 -17.306 -12.484 1.00 50.53 H new ATOM 0 HD13 LEU A 36 12.214 -16.449 -11.881 1.00 50.53 H new ATOM 0 HD21 LEU A 36 11.245 -15.522 -14.655 1.00 1.41 H new ATOM 0 HD22 LEU A 36 11.316 -14.461 -13.228 1.00 1.41 H new ATOM 0 HD23 LEU A 36 12.158 -13.996 -14.726 1.00 1.41 H new ATOM 542 N LEU A 37 15.503 -12.036 -11.814 1.00 22.44 N ATOM 543 CA LEU A 37 15.567 -10.882 -10.924 1.00 41.34 C ATOM 544 C LEU A 37 15.941 -9.620 -11.696 1.00 23.30 C ATOM 545 O LEU A 37 15.482 -8.524 -11.375 1.00 40.23 O ATOM 546 CB LEU A 37 16.582 -11.129 -9.807 1.00 33.53 C ATOM 547 CG LEU A 37 16.888 -9.936 -8.901 1.00 52.24 C ATOM 548 CD1 LEU A 37 15.632 -9.482 -8.173 1.00 60.05 C ATOM 549 CD2 LEU A 37 17.985 -10.288 -7.907 1.00 51.03 C ATOM 0 H LEU A 37 16.252 -12.715 -11.679 1.00 22.44 H new ATOM 0 HA LEU A 37 14.580 -10.739 -10.484 1.00 41.34 H new ATOM 0 HB2 LEU A 37 16.217 -11.947 -9.186 1.00 33.53 H new ATOM 0 HB3 LEU A 37 17.515 -11.465 -10.259 1.00 33.53 H new ATOM 0 HG LEU A 37 17.240 -9.113 -9.523 1.00 52.24 H new ATOM 0 HD11 LEU A 37 15.869 -8.632 -7.533 1.00 60.05 H new ATOM 0 HD12 LEU A 37 14.876 -9.188 -8.901 1.00 60.05 H new ATOM 0 HD13 LEU A 37 15.249 -10.300 -7.563 1.00 60.05 H new ATOM 0 HD21 LEU A 37 18.189 -9.427 -7.271 1.00 51.03 H new ATOM 0 HD22 LEU A 37 17.662 -11.127 -7.290 1.00 51.03 H new ATOM 0 HD23 LEU A 37 18.891 -10.563 -8.447 1.00 51.03 H new ATOM 561 N LYS A 38 16.777 -9.783 -12.716 1.00 74.13 N ATOM 562 CA LYS A 38 17.211 -8.659 -13.537 1.00 53.13 C ATOM 563 C LYS A 38 16.017 -7.967 -14.187 1.00 52.13 C ATOM 564 O LYS A 38 15.900 -6.743 -14.146 1.00 2.31 O ATOM 565 CB LYS A 38 18.187 -9.135 -14.615 1.00 72.15 C ATOM 566 CG LYS A 38 19.075 -8.031 -15.162 1.00 60.03 C ATOM 567 CD LYS A 38 20.271 -8.596 -15.910 1.00 30.41 C ATOM 568 CE LYS A 38 19.962 -8.798 -17.385 1.00 54.34 C ATOM 569 NZ LYS A 38 21.044 -9.546 -18.082 1.00 64.00 N ATOM 0 H LYS A 38 17.168 -10.683 -12.994 1.00 74.13 H new ATOM 0 HA LYS A 38 17.716 -7.942 -12.890 1.00 53.13 H new ATOM 0 HB2 LYS A 38 18.815 -9.924 -14.202 1.00 72.15 H new ATOM 0 HB3 LYS A 38 17.622 -9.575 -15.436 1.00 72.15 H new ATOM 0 HG2 LYS A 38 18.495 -7.394 -15.830 1.00 60.03 H new ATOM 0 HG3 LYS A 38 19.422 -7.402 -14.342 1.00 60.03 H new ATOM 0 HD2 LYS A 38 21.120 -7.920 -15.804 1.00 30.41 H new ATOM 0 HD3 LYS A 38 20.563 -9.547 -15.465 1.00 30.41 H new ATOM 0 HE2 LYS A 38 19.022 -9.340 -17.488 1.00 54.34 H new ATOM 0 HE3 LYS A 38 19.825 -7.828 -17.863 1.00 54.34 H new ATOM 0 HZ1 LYS A 38 20.795 -9.663 -19.085 1.00 64.00 H new ATOM 0 HZ2 LYS A 38 21.936 -9.017 -18.006 1.00 64.00 H new ATOM 0 HZ3 LYS A 38 21.158 -10.482 -17.643 1.00 64.00 H new ATOM 583 N GLU A 39 15.133 -8.759 -14.785 1.00 74.33 N ATOM 584 CA GLU A 39 13.948 -8.221 -15.443 1.00 34.11 C ATOM 585 C GLU A 39 12.987 -7.615 -14.423 1.00 65.24 C ATOM 586 O GLU A 39 12.449 -6.527 -14.631 1.00 75.22 O ATOM 587 CB GLU A 39 13.237 -9.317 -16.240 1.00 64.21 C ATOM 588 CG GLU A 39 14.129 -10.001 -17.263 1.00 1.02 C ATOM 589 CD GLU A 39 13.684 -11.417 -17.571 1.00 33.30 C ATOM 590 OE1 GLU A 39 13.076 -12.055 -16.686 1.00 1.32 O ATOM 591 OE2 GLU A 39 13.943 -11.888 -18.698 1.00 40.04 O ATOM 0 H GLU A 39 15.215 -9.775 -14.827 1.00 74.33 H new ATOM 0 HA GLU A 39 14.269 -7.435 -16.126 1.00 34.11 H new ATOM 0 HB2 GLU A 39 12.851 -10.066 -15.548 1.00 64.21 H new ATOM 0 HB3 GLU A 39 12.378 -8.883 -16.752 1.00 64.21 H new ATOM 0 HG2 GLU A 39 14.134 -9.417 -18.184 1.00 1.02 H new ATOM 0 HG3 GLU A 39 15.154 -10.019 -16.892 1.00 1.02 H new ATOM 598 N LEU A 40 12.778 -8.327 -13.322 1.00 13.15 N ATOM 599 CA LEU A 40 11.882 -7.861 -12.268 1.00 41.25 C ATOM 600 C LEU A 40 12.422 -6.592 -11.617 1.00 53.40 C ATOM 601 O LEU A 40 11.664 -5.793 -11.065 1.00 60.32 O ATOM 602 CB LEU A 40 11.695 -8.951 -11.211 1.00 43.53 C ATOM 603 CG LEU A 40 10.480 -9.860 -11.393 1.00 33.23 C ATOM 604 CD1 LEU A 40 9.192 -9.077 -11.190 1.00 31.11 C ATOM 605 CD2 LEU A 40 10.500 -10.510 -12.769 1.00 1.42 C ATOM 0 H LEU A 40 13.216 -9.229 -13.135 1.00 13.15 H new ATOM 0 HA LEU A 40 10.917 -7.633 -12.720 1.00 41.25 H new ATOM 0 HB2 LEU A 40 12.590 -9.573 -11.197 1.00 43.53 H new ATOM 0 HB3 LEU A 40 11.623 -8.473 -10.234 1.00 43.53 H new ATOM 0 HG LEU A 40 10.525 -10.648 -10.641 1.00 33.23 H new ATOM 0 HD11 LEU A 40 8.338 -9.741 -11.324 1.00 31.11 H new ATOM 0 HD12 LEU A 40 9.174 -8.661 -10.183 1.00 31.11 H new ATOM 0 HD13 LEU A 40 9.140 -8.267 -11.918 1.00 31.11 H new ATOM 0 HD21 LEU A 40 9.627 -11.154 -12.880 1.00 1.42 H new ATOM 0 HD22 LEU A 40 10.481 -9.737 -13.537 1.00 1.42 H new ATOM 0 HD23 LEU A 40 11.406 -11.106 -12.877 1.00 1.42 H new ATOM 617 N LYS A 41 13.736 -6.410 -11.687 1.00 1.14 N ATOM 618 CA LYS A 41 14.378 -5.236 -11.107 1.00 65.22 C ATOM 619 C LYS A 41 14.048 -3.983 -11.911 1.00 0.40 C ATOM 620 O LYS A 41 13.632 -2.966 -11.354 1.00 22.24 O ATOM 621 CB LYS A 41 15.895 -5.434 -11.052 1.00 31.42 C ATOM 622 CG LYS A 41 16.375 -6.102 -9.775 1.00 11.23 C ATOM 623 CD LYS A 41 16.553 -5.094 -8.652 1.00 12.14 C ATOM 624 CE LYS A 41 17.313 -5.694 -7.479 1.00 64.22 C ATOM 625 NZ LYS A 41 18.787 -5.619 -7.677 1.00 44.33 N ATOM 0 H LYS A 41 14.378 -7.061 -12.140 1.00 1.14 H new ATOM 0 HA LYS A 41 13.997 -5.108 -10.094 1.00 65.22 H new ATOM 0 HB2 LYS A 41 16.206 -6.036 -11.906 1.00 31.42 H new ATOM 0 HB3 LYS A 41 16.383 -4.465 -11.151 1.00 31.42 H new ATOM 0 HG2 LYS A 41 15.658 -6.865 -9.471 1.00 11.23 H new ATOM 0 HG3 LYS A 41 17.321 -6.610 -9.962 1.00 11.23 H new ATOM 0 HD2 LYS A 41 17.089 -4.222 -9.026 1.00 12.14 H new ATOM 0 HD3 LYS A 41 15.576 -4.747 -8.315 1.00 12.14 H new ATOM 0 HE2 LYS A 41 17.042 -5.168 -6.564 1.00 64.22 H new ATOM 0 HE3 LYS A 41 17.017 -6.735 -7.348 1.00 64.22 H new ATOM 0 HZ1 LYS A 41 19.269 -6.038 -6.856 1.00 44.33 H new ATOM 0 HZ2 LYS A 41 19.049 -6.142 -8.537 1.00 44.33 H new ATOM 0 HZ3 LYS A 41 19.074 -4.624 -7.776 1.00 44.33 H new ATOM 639 N THR A 42 14.234 -4.061 -13.225 1.00 63.30 N ATOM 640 CA THR A 42 13.956 -2.934 -14.105 1.00 53.33 C ATOM 641 C THR A 42 12.486 -2.536 -14.041 1.00 14.12 C ATOM 642 O THR A 42 12.150 -1.353 -14.093 1.00 63.05 O ATOM 643 CB THR A 42 14.325 -3.256 -15.566 1.00 31.54 C ATOM 644 OG1 THR A 42 13.529 -4.347 -16.043 1.00 12.14 O ATOM 645 CG2 THR A 42 15.800 -3.608 -15.686 1.00 20.23 C ATOM 0 H THR A 42 14.576 -4.894 -13.703 1.00 63.30 H new ATOM 0 HA THR A 42 14.571 -2.104 -13.757 1.00 53.33 H new ATOM 0 HB THR A 42 14.128 -2.371 -16.171 1.00 31.54 H new ATOM 0 HG1 THR A 42 13.326 -4.953 -15.300 1.00 12.14 H new ATOM 0 HG21 THR A 42 16.037 -3.832 -16.726 1.00 20.23 H new ATOM 0 HG22 THR A 42 16.404 -2.765 -15.349 1.00 20.23 H new ATOM 0 HG23 THR A 42 16.017 -4.480 -15.069 1.00 20.23 H new ATOM 653 N MET A 43 11.612 -3.531 -13.926 1.00 25.31 N ATOM 654 CA MET A 43 10.177 -3.284 -13.852 1.00 42.32 C ATOM 655 C MET A 43 9.795 -2.702 -12.495 1.00 31.43 C ATOM 656 O MET A 43 9.147 -1.660 -12.416 1.00 53.22 O ATOM 657 CB MET A 43 9.401 -4.578 -14.103 1.00 22.14 C ATOM 658 CG MET A 43 9.527 -5.096 -15.526 1.00 74.12 C ATOM 659 SD MET A 43 9.527 -6.897 -15.613 1.00 21.15 S ATOM 660 CE MET A 43 9.018 -7.155 -17.310 1.00 41.14 C ATOM 0 H MET A 43 11.873 -4.516 -13.882 1.00 25.31 H new ATOM 0 HA MET A 43 9.918 -2.559 -14.624 1.00 42.32 H new ATOM 0 HB2 MET A 43 9.756 -5.344 -13.414 1.00 22.14 H new ATOM 0 HB3 MET A 43 8.348 -4.410 -13.878 1.00 22.14 H new ATOM 0 HG2 MET A 43 8.703 -4.707 -16.124 1.00 74.12 H new ATOM 0 HG3 MET A 43 10.448 -4.715 -15.967 1.00 74.12 H new ATOM 0 HE1 MET A 43 8.971 -8.224 -17.517 1.00 41.14 H new ATOM 0 HE2 MET A 43 8.035 -6.711 -17.466 1.00 41.14 H new ATOM 0 HE3 MET A 43 9.738 -6.687 -17.981 1.00 41.14 H new ATOM 670 N ASN A 44 10.201 -3.384 -11.428 1.00 75.35 N ATOM 671 CA ASN A 44 9.899 -2.935 -10.074 1.00 22.30 C ATOM 672 C ASN A 44 10.434 -1.526 -9.836 1.00 63.52 C ATOM 673 O ASN A 44 9.743 -0.675 -9.279 1.00 54.41 O ATOM 674 CB ASN A 44 10.499 -3.900 -9.049 1.00 73.32 C ATOM 675 CG ASN A 44 10.262 -3.448 -7.621 1.00 42.33 C ATOM 676 OD1 ASN A 44 11.182 -3.431 -6.803 1.00 40.02 O ATOM 677 ND2 ASN A 44 9.024 -3.078 -7.315 1.00 50.05 N ATOM 0 H ASN A 44 10.740 -4.249 -11.475 1.00 75.35 H new ATOM 0 HA ASN A 44 8.815 -2.918 -9.957 1.00 22.30 H new ATOM 0 HB2 ASN A 44 10.066 -4.891 -9.190 1.00 73.32 H new ATOM 0 HB3 ASN A 44 11.571 -3.992 -9.225 1.00 73.32 H new ATOM 0 HD21 ASN A 44 8.805 -2.764 -6.370 1.00 50.05 H new ATOM 0 HD22 ASN A 44 8.292 -3.108 -8.025 1.00 50.05 H new ATOM 684 N ALA A 45 11.670 -1.289 -10.263 1.00 42.03 N ATOM 685 CA ALA A 45 12.297 0.017 -10.100 1.00 24.45 C ATOM 686 C ALA A 45 11.664 1.050 -11.025 1.00 63.34 C ATOM 687 O ALA A 45 11.609 2.236 -10.702 1.00 22.20 O ATOM 688 CB ALA A 45 13.794 -0.080 -10.358 1.00 74.43 C ATOM 0 H ALA A 45 12.257 -1.984 -10.724 1.00 42.03 H new ATOM 0 HA ALA A 45 12.137 0.343 -9.072 1.00 24.45 H new ATOM 0 HB1 ALA A 45 14.249 0.902 -10.233 1.00 74.43 H new ATOM 0 HB2 ALA A 45 14.240 -0.780 -9.651 1.00 74.43 H new ATOM 0 HB3 ALA A 45 13.966 -0.433 -11.375 1.00 74.43 H new ATOM 694 N ALA A 46 11.188 0.591 -12.178 1.00 43.35 N ATOM 695 CA ALA A 46 10.558 1.476 -13.150 1.00 61.15 C ATOM 696 C ALA A 46 9.379 2.219 -12.532 1.00 52.44 C ATOM 697 O ALA A 46 9.275 3.442 -12.644 1.00 21.24 O ATOM 698 CB ALA A 46 10.106 0.685 -14.369 1.00 33.43 C ATOM 0 H ALA A 46 11.227 -0.388 -12.462 1.00 43.35 H new ATOM 0 HA ALA A 46 11.295 2.215 -13.463 1.00 61.15 H new ATOM 0 HB1 ALA A 46 9.637 1.359 -15.086 1.00 33.43 H new ATOM 0 HB2 ALA A 46 10.968 0.205 -14.832 1.00 33.43 H new ATOM 0 HB3 ALA A 46 9.388 -0.076 -14.063 1.00 33.43 H new ATOM 704 N LEU A 47 8.492 1.475 -11.882 1.00 34.12 N ATOM 705 CA LEU A 47 7.318 2.064 -11.246 1.00 61.10 C ATOM 706 C LEU A 47 7.724 3.135 -10.239 1.00 24.12 C ATOM 707 O LEU A 47 6.947 4.040 -9.933 1.00 62.20 O ATOM 708 CB LEU A 47 6.493 0.980 -10.550 1.00 52.12 C ATOM 709 CG LEU A 47 6.978 0.553 -9.164 1.00 60.15 C ATOM 710 CD1 LEU A 47 6.185 1.263 -8.079 1.00 11.43 C ATOM 711 CD2 LEU A 47 6.872 -0.957 -9.004 1.00 54.41 C ATOM 0 H LEU A 47 8.563 0.462 -11.781 1.00 34.12 H new ATOM 0 HA LEU A 47 6.712 2.532 -12.021 1.00 61.10 H new ATOM 0 HB2 LEU A 47 5.466 1.335 -10.460 1.00 52.12 H new ATOM 0 HB3 LEU A 47 6.471 0.100 -11.192 1.00 52.12 H new ATOM 0 HG LEU A 47 8.026 0.836 -9.063 1.00 60.15 H new ATOM 0 HD11 LEU A 47 6.544 0.947 -7.100 1.00 11.43 H new ATOM 0 HD12 LEU A 47 6.312 2.341 -8.181 1.00 11.43 H new ATOM 0 HD13 LEU A 47 5.129 1.012 -8.177 1.00 11.43 H new ATOM 0 HD21 LEU A 47 7.221 -1.243 -8.012 1.00 54.41 H new ATOM 0 HD22 LEU A 47 5.833 -1.264 -9.125 1.00 54.41 H new ATOM 0 HD23 LEU A 47 7.486 -1.447 -9.760 1.00 54.41 H new ATOM 723 N ILE A 48 8.946 3.027 -9.729 1.00 25.23 N ATOM 724 CA ILE A 48 9.457 3.988 -8.759 1.00 33.11 C ATOM 725 C ILE A 48 9.832 5.303 -9.433 1.00 51.04 C ATOM 726 O ILE A 48 9.517 6.383 -8.932 1.00 64.23 O ATOM 727 CB ILE A 48 10.687 3.437 -8.014 1.00 33.13 C ATOM 728 CG1 ILE A 48 10.412 2.019 -7.510 1.00 33.35 C ATOM 729 CG2 ILE A 48 11.060 4.353 -6.858 1.00 31.23 C ATOM 730 CD1 ILE A 48 9.210 1.925 -6.595 1.00 62.24 C ATOM 0 H ILE A 48 9.601 2.284 -9.971 1.00 25.23 H new ATOM 0 HA ILE A 48 8.657 4.166 -8.040 1.00 33.11 H new ATOM 0 HB ILE A 48 11.527 3.399 -8.708 1.00 33.13 H new ATOM 0 HG12 ILE A 48 10.259 1.361 -8.366 1.00 33.35 H new ATOM 0 HG13 ILE A 48 11.291 1.654 -6.980 1.00 33.35 H new ATOM 0 HG21 ILE A 48 11.931 3.950 -6.341 1.00 31.23 H new ATOM 0 HG22 ILE A 48 11.293 5.346 -7.241 1.00 31.23 H new ATOM 0 HG23 ILE A 48 10.224 4.419 -6.162 1.00 31.23 H new ATOM 0 HD11 ILE A 48 9.075 0.891 -6.276 1.00 62.24 H new ATOM 0 HD12 ILE A 48 9.368 2.556 -5.721 1.00 62.24 H new ATOM 0 HD13 ILE A 48 8.320 2.259 -7.128 1.00 62.24 H new ATOM 742 N LYS A 49 10.505 5.205 -10.575 1.00 1.23 N ATOM 743 CA LYS A 49 10.921 6.386 -11.322 1.00 5.13 C ATOM 744 C LYS A 49 9.740 7.008 -12.058 1.00 52.55 C ATOM 745 O LYS A 49 9.491 8.210 -11.949 1.00 21.51 O ATOM 746 CB LYS A 49 12.023 6.022 -12.319 1.00 64.32 C ATOM 747 CG LYS A 49 13.424 6.122 -11.741 1.00 45.34 C ATOM 748 CD LYS A 49 13.703 5.000 -10.756 1.00 62.30 C ATOM 749 CE LYS A 49 15.160 4.992 -10.318 1.00 33.51 C ATOM 750 NZ LYS A 49 16.062 4.508 -11.400 1.00 34.23 N ATOM 0 H LYS A 49 10.774 4.319 -11.003 1.00 1.23 H new ATOM 0 HA LYS A 49 11.309 7.116 -10.612 1.00 5.13 H new ATOM 0 HB2 LYS A 49 11.858 5.005 -12.675 1.00 64.32 H new ATOM 0 HB3 LYS A 49 11.949 6.679 -13.186 1.00 64.32 H new ATOM 0 HG2 LYS A 49 14.155 6.088 -12.549 1.00 45.34 H new ATOM 0 HG3 LYS A 49 13.545 7.084 -11.242 1.00 45.34 H new ATOM 0 HD2 LYS A 49 13.060 5.113 -9.883 1.00 62.30 H new ATOM 0 HD3 LYS A 49 13.454 4.042 -11.214 1.00 62.30 H new ATOM 0 HE2 LYS A 49 15.456 5.998 -10.022 1.00 33.51 H new ATOM 0 HE3 LYS A 49 15.272 4.356 -9.440 1.00 33.51 H new ATOM 0 HZ1 LYS A 49 17.020 4.372 -11.019 1.00 34.23 H new ATOM 0 HZ2 LYS A 49 15.706 3.604 -11.771 1.00 34.23 H new ATOM 0 HZ3 LYS A 49 16.091 5.209 -12.167 1.00 34.23 H new ATOM 764 N ILE A 50 9.015 6.184 -12.807 1.00 54.30 N ATOM 765 CA ILE A 50 7.858 6.654 -13.559 1.00 12.40 C ATOM 766 C ILE A 50 6.706 7.016 -12.627 1.00 44.30 C ATOM 767 O ILE A 50 5.839 7.816 -12.976 1.00 42.11 O ATOM 768 CB ILE A 50 7.374 5.596 -14.567 1.00 72.25 C ATOM 769 CG1 ILE A 50 6.802 4.383 -13.831 1.00 73.43 C ATOM 770 CG2 ILE A 50 8.514 5.177 -15.484 1.00 13.02 C ATOM 771 CD1 ILE A 50 5.290 4.372 -13.768 1.00 64.42 C ATOM 0 H ILE A 50 9.208 5.188 -12.909 1.00 54.30 H new ATOM 0 HA ILE A 50 8.176 7.544 -14.103 1.00 12.40 H new ATOM 0 HB ILE A 50 6.584 6.032 -15.178 1.00 72.25 H new ATOM 0 HG12 ILE A 50 7.144 3.474 -14.326 1.00 73.43 H new ATOM 0 HG13 ILE A 50 7.200 4.363 -12.816 1.00 73.43 H new ATOM 0 HG21 ILE A 50 8.156 4.429 -16.191 1.00 13.02 H new ATOM 0 HG22 ILE A 50 8.880 6.046 -16.030 1.00 13.02 H new ATOM 0 HG23 ILE A 50 9.324 4.755 -14.888 1.00 13.02 H new ATOM 0 HD11 ILE A 50 4.955 3.484 -13.232 1.00 64.42 H new ATOM 0 HD12 ILE A 50 4.941 5.264 -13.247 1.00 64.42 H new ATOM 0 HD13 ILE A 50 4.884 4.361 -14.779 1.00 64.42 H new ATOM 783 N GLY A 51 6.706 6.422 -11.437 1.00 52.43 N ATOM 784 CA GLY A 51 5.657 6.696 -10.472 1.00 42.11 C ATOM 785 C GLY A 51 5.761 8.089 -9.883 1.00 33.10 C ATOM 786 O GLY A 51 4.818 8.578 -9.262 1.00 12.01 O ATOM 0 H GLY A 51 7.413 5.757 -11.124 1.00 52.43 H new ATOM 0 HA2 GLY A 51 4.686 6.580 -10.953 1.00 42.11 H new ATOM 0 HA3 GLY A 51 5.705 5.961 -9.669 1.00 42.11 H new ATOM 790 N GLU A 52 6.910 8.728 -10.077 1.00 2.01 N ATOM 791 CA GLU A 52 7.133 10.072 -9.557 1.00 42.12 C ATOM 792 C GLU A 52 6.118 11.054 -10.134 1.00 52.05 C ATOM 793 O GLU A 52 5.698 11.997 -9.463 1.00 61.12 O ATOM 794 CB GLU A 52 8.553 10.540 -9.883 1.00 23.42 C ATOM 795 CG GLU A 52 8.925 11.859 -9.227 1.00 61.11 C ATOM 796 CD GLU A 52 10.281 12.371 -9.673 1.00 71.44 C ATOM 797 OE1 GLU A 52 10.489 12.512 -10.896 1.00 62.44 O ATOM 798 OE2 GLU A 52 11.134 12.630 -8.799 1.00 13.24 O ATOM 0 H GLU A 52 7.700 8.337 -10.590 1.00 2.01 H new ATOM 0 HA GLU A 52 7.008 10.040 -8.475 1.00 42.12 H new ATOM 0 HB2 GLU A 52 9.261 9.774 -9.566 1.00 23.42 H new ATOM 0 HB3 GLU A 52 8.654 10.640 -10.964 1.00 23.42 H new ATOM 0 HG2 GLU A 52 8.165 12.604 -9.461 1.00 61.11 H new ATOM 0 HG3 GLU A 52 8.926 11.734 -8.144 1.00 61.11 H new ATOM 805 N VAL A 53 5.727 10.826 -11.385 1.00 23.05 N ATOM 806 CA VAL A 53 4.761 11.689 -12.053 1.00 41.22 C ATOM 807 C VAL A 53 3.400 11.623 -11.370 1.00 73.42 C ATOM 808 O VAL A 53 3.037 10.623 -10.750 1.00 74.35 O ATOM 809 CB VAL A 53 4.598 11.306 -13.536 1.00 44.32 C ATOM 810 CG1 VAL A 53 5.939 11.361 -14.252 1.00 43.32 C ATOM 811 CG2 VAL A 53 3.973 9.926 -13.664 1.00 73.40 C ATOM 0 H VAL A 53 6.065 10.051 -11.955 1.00 23.05 H new ATOM 0 HA VAL A 53 5.148 12.706 -11.988 1.00 41.22 H new ATOM 0 HB VAL A 53 3.931 12.027 -14.008 1.00 44.32 H new ATOM 0 HG11 VAL A 53 5.804 11.087 -15.298 1.00 43.32 H new ATOM 0 HG12 VAL A 53 6.343 12.371 -14.190 1.00 43.32 H new ATOM 0 HG13 VAL A 53 6.632 10.664 -13.781 1.00 43.32 H new ATOM 0 HG21 VAL A 53 3.865 9.672 -14.718 1.00 73.40 H new ATOM 0 HG22 VAL A 53 4.613 9.190 -13.177 1.00 73.40 H new ATOM 0 HG23 VAL A 53 2.992 9.925 -13.189 1.00 73.40 H new ATOM 821 N PRO A 54 2.626 12.712 -11.485 1.00 43.40 N ATOM 822 CA PRO A 54 1.291 12.802 -10.886 1.00 4.51 C ATOM 823 C PRO A 54 0.282 11.893 -11.579 1.00 4.20 C ATOM 824 O PRO A 54 0.536 11.350 -12.655 1.00 11.54 O ATOM 825 CB PRO A 54 0.912 14.272 -11.085 1.00 32.03 C ATOM 826 CG PRO A 54 1.706 14.712 -12.266 1.00 74.22 C ATOM 827 CD PRO A 54 2.995 13.940 -12.209 1.00 41.51 C ATOM 0 HA PRO A 54 1.290 12.484 -9.843 1.00 4.51 H new ATOM 0 HB2 PRO A 54 -0.157 14.384 -11.263 1.00 32.03 H new ATOM 0 HB3 PRO A 54 1.152 14.866 -10.203 1.00 32.03 H new ATOM 0 HG2 PRO A 54 1.171 14.510 -13.194 1.00 74.22 H new ATOM 0 HG3 PRO A 54 1.892 15.785 -12.233 1.00 74.22 H new ATOM 0 HD2 PRO A 54 3.376 13.719 -13.206 1.00 41.51 H new ATOM 0 HD3 PRO A 54 3.773 14.496 -11.686 1.00 41.51 H new ATOM 835 N PRO A 55 -0.890 11.722 -10.951 1.00 32.23 N ATOM 836 CA PRO A 55 -1.961 10.879 -11.490 1.00 55.11 C ATOM 837 C PRO A 55 -2.604 11.484 -12.733 1.00 74.15 C ATOM 838 O PRO A 55 -3.410 10.838 -13.404 1.00 11.01 O ATOM 839 CB PRO A 55 -2.973 10.814 -10.343 1.00 60.31 C ATOM 840 CG PRO A 55 -2.734 12.056 -9.556 1.00 25.53 C ATOM 841 CD PRO A 55 -1.261 12.338 -9.666 1.00 3.04 C ATOM 0 HA PRO A 55 -1.592 9.904 -11.807 1.00 55.11 H new ATOM 0 HB2 PRO A 55 -3.995 10.774 -10.719 1.00 60.31 H new ATOM 0 HB3 PRO A 55 -2.823 9.924 -9.733 1.00 60.31 H new ATOM 0 HG2 PRO A 55 -3.321 12.886 -9.949 1.00 25.53 H new ATOM 0 HG3 PRO A 55 -3.029 11.922 -8.515 1.00 25.53 H new ATOM 0 HD2 PRO A 55 -1.055 13.408 -9.659 1.00 3.04 H new ATOM 0 HD3 PRO A 55 -0.705 11.902 -8.836 1.00 3.04 H new ATOM 849 N ASP A 56 -2.243 12.726 -13.036 1.00 31.11 N ATOM 850 CA ASP A 56 -2.784 13.417 -14.200 1.00 41.54 C ATOM 851 C ASP A 56 -2.150 12.895 -15.486 1.00 31.43 C ATOM 852 O ASP A 56 -2.746 12.976 -16.560 1.00 5.44 O ATOM 853 CB ASP A 56 -2.552 14.924 -14.079 1.00 5.33 C ATOM 854 CG ASP A 56 -3.641 15.734 -14.754 1.00 3.42 C ATOM 855 OD1 ASP A 56 -4.770 15.768 -14.223 1.00 32.14 O ATOM 856 OD2 ASP A 56 -3.364 16.334 -15.814 1.00 1.21 O ATOM 0 H ASP A 56 -1.578 13.275 -12.491 1.00 31.11 H new ATOM 0 HA ASP A 56 -3.856 13.224 -14.240 1.00 41.54 H new ATOM 0 HB2 ASP A 56 -2.501 15.197 -13.025 1.00 5.33 H new ATOM 0 HB3 ASP A 56 -1.588 15.177 -14.521 1.00 5.33 H new ATOM 861 N GLN A 57 -0.940 12.359 -15.367 1.00 45.03 N ATOM 862 CA GLN A 57 -0.225 11.825 -16.521 1.00 21.25 C ATOM 863 C GLN A 57 -0.425 10.317 -16.635 1.00 14.32 C ATOM 864 O GLN A 57 0.313 9.634 -17.345 1.00 43.14 O ATOM 865 CB GLN A 57 1.267 12.146 -16.416 1.00 50.44 C ATOM 866 CG GLN A 57 1.554 13.603 -16.089 1.00 60.12 C ATOM 867 CD GLN A 57 1.217 14.536 -17.236 1.00 23.15 C ATOM 868 OE1 GLN A 57 0.478 14.172 -18.151 1.00 12.25 O ATOM 869 NE2 GLN A 57 1.759 15.747 -17.192 1.00 2.41 N ATOM 0 H GLN A 57 -0.434 12.283 -14.485 1.00 45.03 H new ATOM 0 HA GLN A 57 -0.629 12.296 -17.417 1.00 21.25 H new ATOM 0 HB2 GLN A 57 1.713 11.515 -15.647 1.00 50.44 H new ATOM 0 HB3 GLN A 57 1.752 11.891 -17.358 1.00 50.44 H new ATOM 0 HG2 GLN A 57 0.981 13.894 -15.209 1.00 60.12 H new ATOM 0 HG3 GLN A 57 2.608 13.713 -15.834 1.00 60.12 H new ATOM 0 HE21 GLN A 57 2.366 16.006 -16.414 1.00 2.41 H new ATOM 0 HE22 GLN A 57 1.569 16.418 -17.936 1.00 2.41 H new ATOM 878 N LEU A 58 -1.428 9.804 -15.931 1.00 13.00 N ATOM 879 CA LEU A 58 -1.726 8.376 -15.953 1.00 14.10 C ATOM 880 C LEU A 58 -2.898 8.079 -16.883 1.00 61.45 C ATOM 881 O LEU A 58 -3.932 8.744 -16.828 1.00 32.02 O ATOM 882 CB LEU A 58 -2.043 7.879 -14.541 1.00 43.32 C ATOM 883 CG LEU A 58 -0.848 7.402 -13.714 1.00 74.14 C ATOM 884 CD1 LEU A 58 -1.293 6.999 -12.317 1.00 14.41 C ATOM 885 CD2 LEU A 58 -0.149 6.242 -14.408 1.00 41.11 C ATOM 0 H LEU A 58 -2.048 10.355 -15.338 1.00 13.00 H new ATOM 0 HA LEU A 58 -0.846 7.852 -16.327 1.00 14.10 H new ATOM 0 HB2 LEU A 58 -2.538 8.683 -13.997 1.00 43.32 H new ATOM 0 HB3 LEU A 58 -2.757 7.059 -14.618 1.00 43.32 H new ATOM 0 HG LEU A 58 -0.140 8.226 -13.624 1.00 74.14 H new ATOM 0 HD11 LEU A 58 -0.430 6.662 -11.743 1.00 14.41 H new ATOM 0 HD12 LEU A 58 -1.748 7.855 -11.819 1.00 14.41 H new ATOM 0 HD13 LEU A 58 -2.020 6.190 -12.386 1.00 14.41 H new ATOM 0 HD21 LEU A 58 0.699 5.915 -13.806 1.00 41.11 H new ATOM 0 HD22 LEU A 58 -0.849 5.415 -14.528 1.00 41.11 H new ATOM 0 HD23 LEU A 58 0.204 6.564 -15.388 1.00 41.11 H new ATOM 897 N ASP A 59 -2.729 7.074 -17.736 1.00 41.12 N ATOM 898 CA ASP A 59 -3.773 6.686 -18.677 1.00 34.22 C ATOM 899 C ASP A 59 -4.553 5.482 -18.157 1.00 25.40 C ATOM 900 O ASP A 59 -4.259 4.957 -17.083 1.00 33.31 O ATOM 901 CB ASP A 59 -3.165 6.364 -20.043 1.00 14.41 C ATOM 902 CG ASP A 59 -4.110 6.681 -21.186 1.00 3.31 C ATOM 903 OD1 ASP A 59 -5.234 7.152 -20.914 1.00 11.31 O ATOM 904 OD2 ASP A 59 -3.724 6.459 -22.352 1.00 40.35 O ATOM 0 H ASP A 59 -1.879 6.514 -17.795 1.00 41.12 H new ATOM 0 HA ASP A 59 -4.461 7.524 -18.783 1.00 34.22 H new ATOM 0 HB2 ASP A 59 -2.243 6.931 -20.170 1.00 14.41 H new ATOM 0 HB3 ASP A 59 -2.897 5.308 -20.079 1.00 14.41 H new ATOM 909 N SER A 60 -5.547 5.050 -18.926 1.00 30.21 N ATOM 910 CA SER A 60 -6.372 3.911 -18.541 1.00 22.42 C ATOM 911 C SER A 60 -5.562 2.618 -18.572 1.00 43.21 C ATOM 912 O SER A 60 -5.760 1.730 -17.744 1.00 62.41 O ATOM 913 CB SER A 60 -7.580 3.791 -19.471 1.00 52.14 C ATOM 914 OG SER A 60 -8.367 4.969 -19.440 1.00 3.41 O ATOM 0 H SER A 60 -5.801 5.472 -19.820 1.00 30.21 H new ATOM 0 HA SER A 60 -6.722 4.076 -17.522 1.00 22.42 H new ATOM 0 HB2 SER A 60 -7.241 3.603 -20.490 1.00 52.14 H new ATOM 0 HB3 SER A 60 -8.188 2.936 -19.174 1.00 52.14 H new ATOM 0 HG SER A 60 -9.132 4.867 -20.044 1.00 3.41 H new ATOM 920 N GLN A 61 -4.649 2.522 -19.534 1.00 11.34 N ATOM 921 CA GLN A 61 -3.809 1.339 -19.674 1.00 33.32 C ATOM 922 C GLN A 61 -2.612 1.406 -18.732 1.00 2.23 C ATOM 923 O GLN A 61 -2.118 0.380 -18.265 1.00 34.45 O ATOM 924 CB GLN A 61 -3.329 1.197 -21.119 1.00 62.41 C ATOM 925 CG GLN A 61 -3.113 -0.245 -21.549 1.00 71.35 C ATOM 926 CD GLN A 61 -2.408 -0.356 -22.887 1.00 51.20 C ATOM 927 OE1 GLN A 61 -1.744 0.581 -23.331 1.00 53.32 O ATOM 928 NE2 GLN A 61 -2.548 -1.505 -23.537 1.00 75.13 N ATOM 0 H GLN A 61 -4.473 3.249 -20.227 1.00 11.34 H new ATOM 0 HA GLN A 61 -4.407 0.467 -19.410 1.00 33.32 H new ATOM 0 HB2 GLN A 61 -4.059 1.660 -21.783 1.00 62.41 H new ATOM 0 HB3 GLN A 61 -2.396 1.747 -21.239 1.00 62.41 H new ATOM 0 HG2 GLN A 61 -2.527 -0.763 -20.790 1.00 71.35 H new ATOM 0 HG3 GLN A 61 -4.077 -0.751 -21.607 1.00 71.35 H new ATOM 0 HE21 GLN A 61 -3.108 -2.255 -23.132 1.00 75.13 H new ATOM 0 HE22 GLN A 61 -2.096 -1.638 -24.442 1.00 75.13 H new ATOM 937 N ASP A 62 -2.149 2.621 -18.457 1.00 71.23 N ATOM 938 CA ASP A 62 -1.009 2.823 -17.570 1.00 74.52 C ATOM 939 C ASP A 62 -1.219 2.100 -16.243 1.00 53.11 C ATOM 940 O ASP A 62 -0.290 1.511 -15.690 1.00 50.14 O ATOM 941 CB ASP A 62 -0.786 4.315 -17.323 1.00 13.32 C ATOM 942 CG ASP A 62 0.660 4.640 -17.005 1.00 21.32 C ATOM 943 OD1 ASP A 62 1.293 3.860 -16.263 1.00 1.24 O ATOM 944 OD2 ASP A 62 1.159 5.673 -17.497 1.00 52.53 O ATOM 0 H ASP A 62 -2.546 3.481 -18.836 1.00 71.23 H new ATOM 0 HA ASP A 62 -0.125 2.407 -18.054 1.00 74.52 H new ATOM 0 HB2 ASP A 62 -1.096 4.876 -18.204 1.00 13.32 H new ATOM 0 HB3 ASP A 62 -1.419 4.642 -16.498 1.00 13.32 H new ATOM 949 N LYS A 63 -2.446 2.150 -15.736 1.00 12.44 N ATOM 950 CA LYS A 63 -2.780 1.501 -14.473 1.00 42.23 C ATOM 951 C LYS A 63 -2.730 -0.017 -14.612 1.00 40.04 C ATOM 952 O LYS A 63 -2.357 -0.725 -13.675 1.00 55.45 O ATOM 953 CB LYS A 63 -4.170 1.936 -14.005 1.00 34.44 C ATOM 954 CG LYS A 63 -4.306 3.436 -13.812 1.00 11.10 C ATOM 955 CD LYS A 63 -5.722 3.909 -14.096 1.00 42.03 C ATOM 956 CE LYS A 63 -6.623 3.732 -12.884 1.00 3.14 C ATOM 957 NZ LYS A 63 -6.454 4.838 -11.901 1.00 42.30 N ATOM 0 H LYS A 63 -3.226 2.634 -16.180 1.00 12.44 H new ATOM 0 HA LYS A 63 -2.042 1.804 -13.730 1.00 42.23 H new ATOM 0 HB2 LYS A 63 -4.910 1.604 -14.733 1.00 34.44 H new ATOM 0 HB3 LYS A 63 -4.401 1.435 -13.065 1.00 34.44 H new ATOM 0 HG2 LYS A 63 -4.032 3.699 -12.790 1.00 11.10 H new ATOM 0 HG3 LYS A 63 -3.609 3.953 -14.472 1.00 11.10 H new ATOM 0 HD2 LYS A 63 -5.704 4.959 -14.387 1.00 42.03 H new ATOM 0 HD3 LYS A 63 -6.131 3.352 -14.939 1.00 42.03 H new ATOM 0 HE2 LYS A 63 -7.663 3.690 -13.208 1.00 3.14 H new ATOM 0 HE3 LYS A 63 -6.400 2.780 -12.402 1.00 3.14 H new ATOM 0 HZ1 LYS A 63 -7.085 4.681 -11.090 1.00 42.30 H new ATOM 0 HZ2 LYS A 63 -5.468 4.863 -11.573 1.00 42.30 H new ATOM 0 HZ3 LYS A 63 -6.691 5.744 -12.353 1.00 42.30 H new ATOM 971 N LEU A 64 -3.106 -0.511 -15.787 1.00 22.53 N ATOM 972 CA LEU A 64 -3.102 -1.947 -16.049 1.00 53.50 C ATOM 973 C LEU A 64 -1.685 -2.451 -16.301 1.00 1.40 C ATOM 974 O LEU A 64 -1.386 -3.625 -16.086 1.00 31.23 O ATOM 975 CB LEU A 64 -3.991 -2.267 -17.252 1.00 32.11 C ATOM 976 CG LEU A 64 -5.453 -2.588 -16.940 1.00 13.15 C ATOM 977 CD1 LEU A 64 -6.300 -1.326 -16.993 1.00 1.32 C ATOM 978 CD2 LEU A 64 -5.989 -3.633 -17.908 1.00 3.32 C ATOM 0 H LEU A 64 -3.417 0.060 -16.573 1.00 22.53 H new ATOM 0 HA LEU A 64 -3.496 -2.454 -15.168 1.00 53.50 H new ATOM 0 HB2 LEU A 64 -3.964 -1.417 -17.934 1.00 32.11 H new ATOM 0 HB3 LEU A 64 -3.559 -3.116 -17.782 1.00 32.11 H new ATOM 0 HG LEU A 64 -5.507 -2.995 -15.930 1.00 13.15 H new ATOM 0 HD11 LEU A 64 -7.337 -1.574 -16.768 1.00 1.32 H new ATOM 0 HD12 LEU A 64 -5.931 -0.609 -16.259 1.00 1.32 H new ATOM 0 HD13 LEU A 64 -6.239 -0.889 -17.990 1.00 1.32 H new ATOM 0 HD21 LEU A 64 -7.031 -3.849 -17.670 1.00 3.32 H new ATOM 0 HD22 LEU A 64 -5.920 -3.254 -18.928 1.00 3.32 H new ATOM 0 HD23 LEU A 64 -5.400 -4.546 -17.820 1.00 3.32 H new ATOM 990 N TRP A 65 -0.816 -1.555 -16.756 1.00 14.23 N ATOM 991 CA TRP A 65 0.571 -1.909 -17.035 1.00 12.43 C ATOM 992 C TRP A 65 1.222 -2.558 -15.819 1.00 2.55 C ATOM 993 O TRP A 65 2.104 -3.405 -15.954 1.00 21.13 O ATOM 994 CB TRP A 65 1.362 -0.667 -17.451 1.00 35.23 C ATOM 995 CG TRP A 65 2.834 -0.917 -17.581 1.00 54.31 C ATOM 996 CD1 TRP A 65 3.433 -2.017 -18.124 1.00 45.22 C ATOM 997 CD2 TRP A 65 3.891 -0.048 -17.159 1.00 33.45 C ATOM 998 NE1 TRP A 65 4.800 -1.885 -18.065 1.00 11.33 N ATOM 999 CE2 TRP A 65 5.106 -0.686 -17.477 1.00 52.45 C ATOM 1000 CE3 TRP A 65 3.929 1.206 -16.544 1.00 22.12 C ATOM 1001 CZ2 TRP A 65 6.343 -0.110 -17.200 1.00 51.15 C ATOM 1002 CZ3 TRP A 65 5.158 1.776 -16.269 1.00 72.22 C ATOM 1003 CH2 TRP A 65 6.351 1.119 -16.598 1.00 71.30 C ATOM 0 H TRP A 65 -1.047 -0.579 -16.939 1.00 14.23 H new ATOM 0 HA TRP A 65 0.579 -2.628 -17.855 1.00 12.43 H new ATOM 0 HB2 TRP A 65 0.977 -0.302 -18.403 1.00 35.23 H new ATOM 0 HB3 TRP A 65 1.198 0.122 -16.717 1.00 35.23 H new ATOM 0 HD1 TRP A 65 2.910 -2.866 -18.539 1.00 45.22 H new ATOM 0 HE1 TRP A 65 5.477 -2.569 -18.404 1.00 11.33 H new ATOM 0 HE3 TRP A 65 3.015 1.721 -16.288 1.00 22.12 H new ATOM 0 HZ2 TRP A 65 7.264 -0.615 -17.451 1.00 51.15 H new ATOM 0 HZ3 TRP A 65 5.199 2.744 -15.792 1.00 72.22 H new ATOM 0 HH2 TRP A 65 7.295 1.592 -16.372 1.00 71.30 H new ATOM 1014 N ALA A 66 0.782 -2.154 -14.631 1.00 62.21 N ATOM 1015 CA ALA A 66 1.322 -2.699 -13.391 1.00 55.33 C ATOM 1016 C ALA A 66 0.932 -4.163 -13.220 1.00 10.05 C ATOM 1017 O ALA A 66 1.787 -5.021 -12.999 1.00 50.02 O ATOM 1018 CB ALA A 66 0.841 -1.880 -12.202 1.00 43.23 C ATOM 0 H ALA A 66 0.054 -1.452 -14.501 1.00 62.21 H new ATOM 0 HA ALA A 66 2.409 -2.643 -13.441 1.00 55.33 H new ATOM 0 HB1 ALA A 66 1.251 -2.298 -11.283 1.00 43.23 H new ATOM 0 HB2 ALA A 66 1.174 -0.848 -12.312 1.00 43.23 H new ATOM 0 HB3 ALA A 66 -0.248 -1.907 -12.158 1.00 43.23 H new ATOM 1024 N ASP A 67 -0.363 -4.442 -13.321 1.00 1.51 N ATOM 1025 CA ASP A 67 -0.866 -5.803 -13.177 1.00 42.21 C ATOM 1026 C ASP A 67 -0.415 -6.675 -14.345 1.00 0.13 C ATOM 1027 O ASP A 67 -0.236 -7.883 -14.196 1.00 24.03 O ATOM 1028 CB ASP A 67 -2.393 -5.798 -13.087 1.00 64.44 C ATOM 1029 CG ASP A 67 -2.962 -7.181 -12.836 1.00 3.15 C ATOM 1030 OD1 ASP A 67 -2.390 -7.915 -12.002 1.00 74.33 O ATOM 1031 OD2 ASP A 67 -3.979 -7.528 -13.471 1.00 21.00 O ATOM 0 H ASP A 67 -1.084 -3.743 -13.502 1.00 1.51 H new ATOM 0 HA ASP A 67 -0.457 -6.220 -12.257 1.00 42.21 H new ATOM 0 HB2 ASP A 67 -2.705 -5.129 -12.285 1.00 64.44 H new ATOM 0 HB3 ASP A 67 -2.808 -5.400 -14.013 1.00 64.44 H new ATOM 1036 N GLU A 68 -0.235 -6.053 -15.506 1.00 70.41 N ATOM 1037 CA GLU A 68 0.193 -6.774 -16.699 1.00 71.32 C ATOM 1038 C GLU A 68 1.485 -7.542 -16.437 1.00 4.12 C ATOM 1039 O GLU A 68 1.609 -8.713 -16.796 1.00 42.21 O ATOM 1040 CB GLU A 68 0.391 -5.803 -17.865 1.00 61.41 C ATOM 1041 CG GLU A 68 -0.866 -5.576 -18.688 1.00 64.45 C ATOM 1042 CD GLU A 68 -1.180 -6.742 -19.607 1.00 2.53 C ATOM 1043 OE1 GLU A 68 -0.727 -7.868 -19.313 1.00 51.44 O ATOM 1044 OE2 GLU A 68 -1.879 -6.526 -20.619 1.00 31.41 O ATOM 0 H GLU A 68 -0.379 -5.053 -15.646 1.00 70.41 H new ATOM 0 HA GLU A 68 -0.587 -7.489 -16.959 1.00 71.32 H new ATOM 0 HB2 GLU A 68 0.738 -4.846 -17.475 1.00 61.41 H new ATOM 0 HB3 GLU A 68 1.177 -6.186 -18.516 1.00 61.41 H new ATOM 0 HG2 GLU A 68 -1.709 -5.409 -18.018 1.00 64.45 H new ATOM 0 HG3 GLU A 68 -0.748 -4.671 -19.283 1.00 64.45 H new ATOM 1051 N VAL A 69 2.447 -6.873 -15.808 1.00 52.11 N ATOM 1052 CA VAL A 69 3.730 -7.491 -15.497 1.00 1.14 C ATOM 1053 C VAL A 69 3.606 -8.452 -14.319 1.00 42.53 C ATOM 1054 O VAL A 69 4.295 -9.470 -14.261 1.00 74.53 O ATOM 1055 CB VAL A 69 4.799 -6.431 -15.170 1.00 12.12 C ATOM 1056 CG1 VAL A 69 6.170 -7.077 -15.042 1.00 41.32 C ATOM 1057 CG2 VAL A 69 4.810 -5.341 -16.231 1.00 61.43 C ATOM 0 H VAL A 69 2.361 -5.903 -15.504 1.00 52.11 H new ATOM 0 HA VAL A 69 4.038 -8.045 -16.384 1.00 1.14 H new ATOM 0 HB VAL A 69 4.550 -5.972 -14.213 1.00 12.12 H new ATOM 0 HG11 VAL A 69 6.912 -6.313 -14.811 1.00 41.32 H new ATOM 0 HG12 VAL A 69 6.150 -7.817 -14.242 1.00 41.32 H new ATOM 0 HG13 VAL A 69 6.432 -7.565 -15.981 1.00 41.32 H new ATOM 0 HG21 VAL A 69 5.571 -4.601 -15.984 1.00 61.43 H new ATOM 0 HG22 VAL A 69 5.034 -5.781 -17.203 1.00 61.43 H new ATOM 0 HG23 VAL A 69 3.833 -4.859 -16.267 1.00 61.43 H new ATOM 1067 N ARG A 70 2.724 -8.120 -13.383 1.00 35.04 N ATOM 1068 CA ARG A 70 2.509 -8.953 -12.206 1.00 25.25 C ATOM 1069 C ARG A 70 2.244 -10.402 -12.606 1.00 3.44 C ATOM 1070 O ARG A 70 2.725 -11.332 -11.959 1.00 44.42 O ATOM 1071 CB ARG A 70 1.337 -8.418 -11.382 1.00 11.43 C ATOM 1072 CG ARG A 70 1.125 -9.158 -10.071 1.00 74.15 C ATOM 1073 CD ARG A 70 0.619 -8.227 -8.981 1.00 2.32 C ATOM 1074 NE ARG A 70 -0.758 -7.802 -9.218 1.00 62.22 N ATOM 1075 CZ ARG A 70 -1.817 -8.551 -8.932 1.00 53.22 C ATOM 1076 NH1 ARG A 70 -1.658 -9.755 -8.401 1.00 13.02 N ATOM 1077 NH2 ARG A 70 -3.039 -8.095 -9.177 1.00 50.34 N ATOM 0 H ARG A 70 2.146 -7.280 -13.416 1.00 35.04 H new ATOM 0 HA ARG A 70 3.414 -8.921 -11.600 1.00 25.25 H new ATOM 0 HB2 ARG A 70 1.505 -7.362 -11.170 1.00 11.43 H new ATOM 0 HB3 ARG A 70 0.426 -8.483 -11.977 1.00 11.43 H new ATOM 0 HG2 ARG A 70 0.410 -9.967 -10.220 1.00 74.15 H new ATOM 0 HG3 ARG A 70 2.062 -9.615 -9.754 1.00 74.15 H new ATOM 0 HD2 ARG A 70 0.682 -8.731 -8.016 1.00 2.32 H new ATOM 0 HD3 ARG A 70 1.264 -7.350 -8.925 1.00 2.32 H new ATOM 0 HE ARG A 70 -0.915 -6.880 -9.625 1.00 62.22 H new ATOM 0 HH11 ARG A 70 -0.720 -10.109 -8.211 1.00 13.02 H new ATOM 0 HH12 ARG A 70 -2.473 -10.328 -8.182 1.00 13.02 H new ATOM 0 HH21 ARG A 70 -3.165 -7.169 -9.585 1.00 50.34 H new ATOM 0 HH22 ARG A 70 -3.852 -8.671 -8.957 1.00 50.34 H new ATOM 1091 N GLU A 71 1.475 -10.584 -13.675 1.00 5.33 N ATOM 1092 CA GLU A 71 1.146 -11.919 -14.159 1.00 52.12 C ATOM 1093 C GLU A 71 2.410 -12.740 -14.396 1.00 4.43 C ATOM 1094 O GLU A 71 2.414 -13.959 -14.223 1.00 61.33 O ATOM 1095 CB GLU A 71 0.333 -11.830 -15.453 1.00 20.14 C ATOM 1096 CG GLU A 71 1.179 -11.559 -16.686 1.00 32.25 C ATOM 1097 CD GLU A 71 1.707 -12.830 -17.321 1.00 62.52 C ATOM 1098 OE1 GLU A 71 0.971 -13.839 -17.334 1.00 53.41 O ATOM 1099 OE2 GLU A 71 2.858 -12.816 -17.806 1.00 60.43 O ATOM 0 H GLU A 71 1.069 -9.825 -14.222 1.00 5.33 H new ATOM 0 HA GLU A 71 0.549 -12.417 -13.395 1.00 52.12 H new ATOM 0 HB2 GLU A 71 -0.212 -12.763 -15.595 1.00 20.14 H new ATOM 0 HB3 GLU A 71 -0.410 -11.039 -15.352 1.00 20.14 H new ATOM 0 HG2 GLU A 71 0.584 -11.012 -17.417 1.00 32.25 H new ATOM 0 HG3 GLU A 71 2.017 -10.918 -16.413 1.00 32.25 H new ATOM 1106 N LEU A 72 3.482 -12.062 -14.792 1.00 23.41 N ATOM 1107 CA LEU A 72 4.754 -12.728 -15.053 1.00 42.50 C ATOM 1108 C LEU A 72 5.359 -13.272 -13.763 1.00 32.21 C ATOM 1109 O LEU A 72 6.084 -14.267 -13.777 1.00 43.41 O ATOM 1110 CB LEU A 72 5.732 -11.758 -15.718 1.00 42.34 C ATOM 1111 CG LEU A 72 6.809 -12.390 -16.601 1.00 32.30 C ATOM 1112 CD1 LEU A 72 7.096 -11.510 -17.807 1.00 54.42 C ATOM 1113 CD2 LEU A 72 8.080 -12.632 -15.801 1.00 23.34 C ATOM 0 H LEU A 72 3.496 -11.053 -14.939 1.00 23.41 H new ATOM 0 HA LEU A 72 4.566 -13.565 -15.726 1.00 42.50 H new ATOM 0 HB2 LEU A 72 5.160 -11.055 -16.324 1.00 42.34 H new ATOM 0 HB3 LEU A 72 6.225 -11.178 -14.937 1.00 42.34 H new ATOM 0 HG LEU A 72 6.440 -13.351 -16.959 1.00 32.30 H new ATOM 0 HD11 LEU A 72 7.865 -11.976 -18.423 1.00 54.42 H new ATOM 0 HD12 LEU A 72 6.185 -11.388 -18.394 1.00 54.42 H new ATOM 0 HD13 LEU A 72 7.444 -10.533 -17.470 1.00 54.42 H new ATOM 0 HD21 LEU A 72 8.835 -13.082 -16.445 1.00 23.34 H new ATOM 0 HD22 LEU A 72 8.452 -11.684 -15.413 1.00 23.34 H new ATOM 0 HD23 LEU A 72 7.865 -13.304 -14.970 1.00 23.34 H new ATOM 1125 N SER A 73 5.053 -12.615 -12.649 1.00 22.13 N ATOM 1126 CA SER A 73 5.568 -13.032 -11.350 1.00 32.44 C ATOM 1127 C SER A 73 5.297 -14.515 -11.109 1.00 3.52 C ATOM 1128 O SER A 73 6.045 -15.186 -10.398 1.00 1.04 O ATOM 1129 CB SER A 73 4.934 -12.199 -10.235 1.00 14.25 C ATOM 1130 OG SER A 73 3.654 -12.700 -9.888 1.00 1.20 O ATOM 0 H SER A 73 4.451 -11.792 -12.620 1.00 22.13 H new ATOM 0 HA SER A 73 6.646 -12.871 -11.346 1.00 32.44 H new ATOM 0 HB2 SER A 73 5.581 -12.207 -9.358 1.00 14.25 H new ATOM 0 HB3 SER A 73 4.847 -11.161 -10.557 1.00 14.25 H new ATOM 0 HG SER A 73 2.984 -12.343 -10.508 1.00 1.20 H new ATOM 1136 N TYR A 74 4.223 -15.018 -11.706 1.00 41.14 N ATOM 1137 CA TYR A 74 3.851 -16.420 -11.556 1.00 0.42 C ATOM 1138 C TYR A 74 5.006 -17.335 -11.951 1.00 75.23 C ATOM 1139 O TYR A 74 5.156 -18.432 -11.414 1.00 34.45 O ATOM 1140 CB TYR A 74 2.620 -16.736 -12.406 1.00 72.43 C ATOM 1141 CG TYR A 74 1.315 -16.620 -11.650 1.00 65.15 C ATOM 1142 CD1 TYR A 74 1.083 -15.558 -10.785 1.00 64.40 C ATOM 1143 CD2 TYR A 74 0.315 -17.572 -11.803 1.00 14.12 C ATOM 1144 CE1 TYR A 74 -0.107 -15.449 -10.092 1.00 5.30 C ATOM 1145 CE2 TYR A 74 -0.879 -17.470 -11.115 1.00 11.52 C ATOM 1146 CZ TYR A 74 -1.085 -16.407 -10.260 1.00 43.53 C ATOM 1147 OH TYR A 74 -2.272 -16.300 -9.573 1.00 21.12 O ATOM 0 H TYR A 74 3.594 -14.476 -12.299 1.00 41.14 H new ATOM 0 HA TYR A 74 3.614 -16.597 -10.507 1.00 0.42 H new ATOM 0 HB2 TYR A 74 2.596 -16.060 -13.261 1.00 72.43 H new ATOM 0 HB3 TYR A 74 2.712 -17.747 -12.802 1.00 72.43 H new ATOM 0 HD1 TYR A 74 1.846 -14.805 -10.652 1.00 64.40 H new ATOM 0 HD2 TYR A 74 0.473 -18.406 -12.471 1.00 14.12 H new ATOM 0 HE1 TYR A 74 -0.271 -14.618 -9.422 1.00 5.30 H new ATOM 0 HE2 TYR A 74 -1.647 -18.218 -11.246 1.00 11.52 H new ATOM 0 HH TYR A 74 -2.853 -17.054 -9.804 1.00 21.12 H new ATOM 1157 N VAL A 75 5.820 -16.875 -12.896 1.00 22.24 N ATOM 1158 CA VAL A 75 6.963 -17.650 -13.363 1.00 61.43 C ATOM 1159 C VAL A 75 8.028 -17.768 -12.279 1.00 43.21 C ATOM 1160 O VAL A 75 8.815 -18.715 -12.268 1.00 21.02 O ATOM 1161 CB VAL A 75 7.592 -17.020 -14.620 1.00 5.02 C ATOM 1162 CG1 VAL A 75 8.452 -15.823 -14.243 1.00 41.14 C ATOM 1163 CG2 VAL A 75 8.408 -18.053 -15.383 1.00 34.34 C ATOM 0 H VAL A 75 5.709 -15.970 -13.353 1.00 22.24 H new ATOM 0 HA VAL A 75 6.591 -18.644 -13.611 1.00 61.43 H new ATOM 0 HB VAL A 75 6.790 -16.672 -15.271 1.00 5.02 H new ATOM 0 HG11 VAL A 75 8.888 -15.391 -15.143 1.00 41.14 H new ATOM 0 HG12 VAL A 75 7.836 -15.075 -13.743 1.00 41.14 H new ATOM 0 HG13 VAL A 75 9.249 -16.144 -13.572 1.00 41.14 H new ATOM 0 HG21 VAL A 75 8.845 -17.590 -16.268 1.00 34.34 H new ATOM 0 HG22 VAL A 75 9.203 -18.434 -14.742 1.00 34.34 H new ATOM 0 HG23 VAL A 75 7.761 -18.876 -15.686 1.00 34.34 H new ATOM 1173 N ILE A 76 8.047 -16.800 -11.369 1.00 4.01 N ATOM 1174 CA ILE A 76 9.015 -16.796 -10.279 1.00 42.10 C ATOM 1175 C ILE A 76 8.955 -18.097 -9.486 1.00 4.12 C ATOM 1176 O ILE A 76 9.962 -18.551 -8.944 1.00 23.03 O ATOM 1177 CB ILE A 76 8.780 -15.613 -9.322 1.00 10.34 C ATOM 1178 CG1 ILE A 76 8.829 -14.290 -10.089 1.00 3.11 C ATOM 1179 CG2 ILE A 76 9.813 -15.622 -8.204 1.00 75.13 C ATOM 1180 CD1 ILE A 76 10.186 -13.988 -10.687 1.00 33.41 C ATOM 0 H ILE A 76 7.403 -16.009 -11.365 1.00 4.01 H new ATOM 0 HA ILE A 76 10.001 -16.695 -10.733 1.00 42.10 H new ATOM 0 HB ILE A 76 7.790 -15.717 -8.877 1.00 10.34 H new ATOM 0 HG12 ILE A 76 8.087 -14.314 -10.887 1.00 3.11 H new ATOM 0 HG13 ILE A 76 8.548 -13.479 -9.417 1.00 3.11 H new ATOM 0 HG21 ILE A 76 9.633 -14.780 -7.536 1.00 75.13 H new ATOM 0 HG22 ILE A 76 9.734 -16.553 -7.643 1.00 75.13 H new ATOM 0 HG23 ILE A 76 10.812 -15.540 -8.631 1.00 75.13 H new ATOM 0 HD11 ILE A 76 10.147 -13.036 -11.216 1.00 33.41 H new ATOM 0 HD12 ILE A 76 10.930 -13.931 -9.892 1.00 33.41 H new ATOM 0 HD13 ILE A 76 10.460 -14.779 -11.385 1.00 33.41 H new ATOM 1192 N GLU A 77 7.768 -18.692 -9.424 1.00 63.12 N ATOM 1193 CA GLU A 77 7.578 -19.942 -8.698 1.00 20.12 C ATOM 1194 C GLU A 77 8.597 -20.988 -9.139 1.00 62.54 C ATOM 1195 O GLU A 77 9.055 -21.802 -8.337 1.00 4.34 O ATOM 1196 CB GLU A 77 6.159 -20.473 -8.914 1.00 43.34 C ATOM 1197 CG GLU A 77 5.916 -21.004 -10.317 1.00 13.10 C ATOM 1198 CD GLU A 77 4.442 -21.073 -10.667 1.00 12.22 C ATOM 1199 OE1 GLU A 77 3.634 -20.440 -9.956 1.00 13.45 O ATOM 1200 OE2 GLU A 77 4.096 -21.759 -11.651 1.00 25.41 O ATOM 0 H GLU A 77 6.924 -18.329 -9.867 1.00 63.12 H new ATOM 0 HA GLU A 77 7.725 -19.742 -7.637 1.00 20.12 H new ATOM 0 HB2 GLU A 77 5.964 -21.268 -8.195 1.00 43.34 H new ATOM 0 HB3 GLU A 77 5.446 -19.675 -8.708 1.00 43.34 H new ATOM 0 HG2 GLU A 77 6.427 -20.365 -11.037 1.00 13.10 H new ATOM 0 HG3 GLU A 77 6.354 -21.998 -10.406 1.00 13.10 H new ATOM 1207 N ASP A 78 8.947 -20.961 -10.421 1.00 35.43 N ATOM 1208 CA ASP A 78 9.912 -21.907 -10.970 1.00 55.33 C ATOM 1209 C ASP A 78 11.240 -21.823 -10.224 1.00 75.02 C ATOM 1210 O ASP A 78 11.949 -22.819 -10.086 1.00 32.11 O ATOM 1211 CB ASP A 78 10.131 -21.636 -12.460 1.00 22.35 C ATOM 1212 CG ASP A 78 10.507 -22.889 -13.226 1.00 62.01 C ATOM 1213 OD1 ASP A 78 10.923 -23.875 -12.583 1.00 35.30 O ATOM 1214 OD2 ASP A 78 10.387 -22.883 -14.469 1.00 51.24 O ATOM 0 H ASP A 78 8.577 -20.295 -11.099 1.00 35.43 H new ATOM 0 HA ASP A 78 9.510 -22.913 -10.846 1.00 55.33 H new ATOM 0 HB2 ASP A 78 9.222 -21.212 -12.887 1.00 22.35 H new ATOM 0 HB3 ASP A 78 10.917 -20.891 -12.579 1.00 22.35 H new ATOM 1219 N ALA A 79 11.570 -20.628 -9.746 1.00 54.33 N ATOM 1220 CA ALA A 79 12.812 -20.414 -9.014 1.00 34.33 C ATOM 1221 C ALA A 79 12.946 -21.403 -7.861 1.00 32.32 C ATOM 1222 O ALA A 79 13.956 -22.096 -7.738 1.00 61.13 O ATOM 1223 CB ALA A 79 12.880 -18.985 -8.496 1.00 62.13 C ATOM 0 H ALA A 79 10.994 -19.793 -9.853 1.00 54.33 H new ATOM 0 HA ALA A 79 13.643 -20.580 -9.700 1.00 34.33 H new ATOM 0 HB1 ALA A 79 13.813 -18.839 -7.951 1.00 62.13 H new ATOM 0 HB2 ALA A 79 12.838 -18.291 -9.336 1.00 62.13 H new ATOM 0 HB3 ALA A 79 12.038 -18.799 -7.829 1.00 62.13 H new ATOM 1229 N VAL A 80 11.921 -21.464 -7.017 1.00 12.45 N ATOM 1230 CA VAL A 80 11.924 -22.368 -5.873 1.00 64.42 C ATOM 1231 C VAL A 80 11.467 -23.766 -6.277 1.00 4.33 C ATOM 1232 O VAL A 80 11.929 -24.765 -5.724 1.00 52.43 O ATOM 1233 CB VAL A 80 11.015 -21.849 -4.744 1.00 21.13 C ATOM 1234 CG1 VAL A 80 11.502 -20.497 -4.244 1.00 64.54 C ATOM 1235 CG2 VAL A 80 9.573 -21.763 -5.219 1.00 15.42 C ATOM 0 H VAL A 80 11.077 -20.898 -7.104 1.00 12.45 H new ATOM 0 HA VAL A 80 12.950 -22.415 -5.509 1.00 64.42 H new ATOM 0 HB VAL A 80 11.059 -22.553 -3.913 1.00 21.13 H new ATOM 0 HG11 VAL A 80 10.847 -20.147 -3.446 1.00 64.54 H new ATOM 0 HG12 VAL A 80 12.518 -20.595 -3.862 1.00 64.54 H new ATOM 0 HG13 VAL A 80 11.490 -19.780 -5.065 1.00 64.54 H new ATOM 0 HG21 VAL A 80 8.944 -21.394 -4.408 1.00 15.42 H new ATOM 0 HG22 VAL A 80 9.509 -21.081 -6.067 1.00 15.42 H new ATOM 0 HG23 VAL A 80 9.230 -22.752 -5.523 1.00 15.42 H new ATOM 1245 N ASP A 81 10.559 -23.829 -7.244 1.00 14.45 N ATOM 1246 CA ASP A 81 10.040 -25.104 -7.723 1.00 75.22 C ATOM 1247 C ASP A 81 11.178 -26.041 -8.115 1.00 72.23 C ATOM 1248 O ASP A 81 11.047 -27.263 -8.035 1.00 13.20 O ATOM 1249 CB ASP A 81 9.109 -24.884 -8.917 1.00 63.12 C ATOM 1250 CG ASP A 81 8.173 -26.054 -9.145 1.00 32.41 C ATOM 1251 OD1 ASP A 81 8.624 -27.074 -9.707 1.00 31.13 O ATOM 1252 OD2 ASP A 81 6.988 -25.950 -8.762 1.00 64.11 O ATOM 0 H ASP A 81 10.167 -23.012 -7.712 1.00 14.45 H new ATOM 0 HA ASP A 81 9.476 -25.566 -6.913 1.00 75.22 H new ATOM 0 HB2 ASP A 81 8.523 -23.980 -8.755 1.00 63.12 H new ATOM 0 HB3 ASP A 81 9.706 -24.720 -9.814 1.00 63.12 H new ATOM 1257 N LYS A 82 12.295 -25.461 -8.541 1.00 32.11 N ATOM 1258 CA LYS A 82 13.457 -26.243 -8.946 1.00 1.32 C ATOM 1259 C LYS A 82 14.157 -26.845 -7.732 1.00 25.00 C ATOM 1260 O LYS A 82 14.677 -27.960 -7.792 1.00 42.53 O ATOM 1261 CB LYS A 82 14.437 -25.368 -9.731 1.00 70.24 C ATOM 1262 CG LYS A 82 14.014 -25.121 -11.169 1.00 71.31 C ATOM 1263 CD LYS A 82 14.470 -23.757 -11.658 1.00 15.41 C ATOM 1264 CE LYS A 82 15.822 -23.835 -12.350 1.00 31.35 C ATOM 1265 NZ LYS A 82 16.356 -22.485 -12.679 1.00 0.34 N ATOM 0 H LYS A 82 12.420 -24.451 -8.615 1.00 32.11 H new ATOM 0 HA LYS A 82 13.112 -27.056 -9.585 1.00 1.32 H new ATOM 0 HB2 LYS A 82 14.543 -24.410 -9.223 1.00 70.24 H new ATOM 0 HB3 LYS A 82 15.419 -25.842 -9.726 1.00 70.24 H new ATOM 0 HG2 LYS A 82 14.432 -25.897 -11.810 1.00 71.31 H new ATOM 0 HG3 LYS A 82 12.929 -25.193 -11.247 1.00 71.31 H new ATOM 0 HD2 LYS A 82 13.730 -23.351 -12.348 1.00 15.41 H new ATOM 0 HD3 LYS A 82 14.531 -23.069 -10.815 1.00 15.41 H new ATOM 0 HE2 LYS A 82 16.529 -24.358 -11.707 1.00 31.35 H new ATOM 0 HE3 LYS A 82 15.729 -24.421 -13.264 1.00 31.35 H new ATOM 0 HZ1 LYS A 82 16.975 -22.550 -13.512 1.00 0.34 H new ATOM 0 HZ2 LYS A 82 15.566 -21.840 -12.883 1.00 0.34 H new ATOM 0 HZ3 LYS A 82 16.901 -22.121 -11.871 1.00 0.34 H new ATOM 1279 N PHE A 83 14.166 -26.102 -6.630 1.00 45.35 N ATOM 1280 CA PHE A 83 14.803 -26.563 -5.402 1.00 74.00 C ATOM 1281 C PHE A 83 13.959 -27.638 -4.723 1.00 71.02 C ATOM 1282 O PHE A 83 14.488 -28.538 -4.070 1.00 31.15 O ATOM 1283 CB PHE A 83 15.021 -25.390 -4.444 1.00 63.03 C ATOM 1284 CG PHE A 83 15.501 -25.808 -3.084 1.00 21.32 C ATOM 1285 CD1 PHE A 83 16.553 -26.700 -2.950 1.00 31.25 C ATOM 1286 CD2 PHE A 83 14.900 -25.310 -1.939 1.00 72.12 C ATOM 1287 CE1 PHE A 83 16.997 -27.087 -1.699 1.00 41.01 C ATOM 1288 CE2 PHE A 83 15.340 -25.693 -0.686 1.00 50.23 C ATOM 1289 CZ PHE A 83 16.389 -26.583 -0.566 1.00 60.30 C ATOM 0 H PHE A 83 13.739 -25.178 -6.562 1.00 45.35 H new ATOM 0 HA PHE A 83 15.769 -26.994 -5.663 1.00 74.00 H new ATOM 0 HB2 PHE A 83 15.746 -24.704 -4.881 1.00 63.03 H new ATOM 0 HB3 PHE A 83 14.086 -24.840 -4.337 1.00 63.03 H new ATOM 0 HD1 PHE A 83 17.032 -27.097 -3.833 1.00 31.25 H new ATOM 0 HD2 PHE A 83 14.078 -24.615 -2.027 1.00 72.12 H new ATOM 0 HE1 PHE A 83 17.818 -27.783 -1.608 1.00 41.01 H new ATOM 0 HE2 PHE A 83 14.864 -25.297 0.199 1.00 50.23 H new ATOM 0 HZ PHE A 83 16.733 -26.884 0.412 1.00 60.30 H new ATOM 1299 N LEU A 84 12.644 -27.537 -4.882 1.00 71.42 N ATOM 1300 CA LEU A 84 11.725 -28.500 -4.285 1.00 20.12 C ATOM 1301 C LEU A 84 11.807 -29.846 -4.998 1.00 24.25 C ATOM 1302 O LEU A 84 11.236 -30.837 -4.543 1.00 73.31 O ATOM 1303 CB LEU A 84 10.292 -27.968 -4.339 1.00 32.40 C ATOM 1304 CG LEU A 84 10.077 -26.560 -3.784 1.00 11.04 C ATOM 1305 CD1 LEU A 84 8.854 -25.917 -4.418 1.00 53.23 C ATOM 1306 CD2 LEU A 84 9.936 -26.600 -2.269 1.00 14.30 C ATOM 0 H LEU A 84 12.190 -26.798 -5.419 1.00 71.42 H new ATOM 0 HA LEU A 84 12.014 -28.643 -3.244 1.00 20.12 H new ATOM 0 HB2 LEU A 84 9.959 -27.982 -5.377 1.00 32.40 H new ATOM 0 HB3 LEU A 84 9.650 -28.656 -3.789 1.00 32.40 H new ATOM 0 HG LEU A 84 10.949 -25.955 -4.032 1.00 11.04 H new ATOM 0 HD11 LEU A 84 8.717 -24.915 -4.010 1.00 53.23 H new ATOM 0 HD12 LEU A 84 8.994 -25.854 -5.497 1.00 53.23 H new ATOM 0 HD13 LEU A 84 7.972 -26.520 -4.202 1.00 53.23 H new ATOM 0 HD21 LEU A 84 9.784 -25.589 -1.891 1.00 14.30 H new ATOM 0 HD22 LEU A 84 9.082 -27.221 -1.999 1.00 14.30 H new ATOM 0 HD23 LEU A 84 10.842 -27.019 -1.830 1.00 14.30 H new ATOM 1318 N VAL A 85 12.525 -29.875 -6.116 1.00 55.45 N ATOM 1319 CA VAL A 85 12.685 -31.100 -6.891 1.00 0.43 C ATOM 1320 C VAL A 85 13.139 -32.254 -6.005 1.00 20.23 C ATOM 1321 O VAL A 85 12.828 -33.415 -6.272 1.00 51.12 O ATOM 1322 CB VAL A 85 13.702 -30.913 -8.033 1.00 13.34 C ATOM 1323 CG1 VAL A 85 15.112 -30.790 -7.477 1.00 43.10 C ATOM 1324 CG2 VAL A 85 13.608 -32.064 -9.022 1.00 60.04 C ATOM 0 H VAL A 85 13.005 -29.064 -6.506 1.00 55.45 H new ATOM 0 HA VAL A 85 11.710 -31.335 -7.318 1.00 0.43 H new ATOM 0 HB VAL A 85 13.464 -29.990 -8.561 1.00 13.34 H new ATOM 0 HG11 VAL A 85 15.817 -30.659 -8.298 1.00 43.10 H new ATOM 0 HG12 VAL A 85 15.167 -29.929 -6.811 1.00 43.10 H new ATOM 0 HG13 VAL A 85 15.365 -31.694 -6.923 1.00 43.10 H new ATOM 0 HG21 VAL A 85 14.333 -31.916 -9.822 1.00 60.04 H new ATOM 0 HG22 VAL A 85 13.820 -33.002 -8.509 1.00 60.04 H new ATOM 0 HG23 VAL A 85 12.604 -32.100 -9.444 1.00 60.04 H new ATOM 1334 N ARG A 86 13.876 -31.928 -4.948 1.00 42.42 N ATOM 1335 CA ARG A 86 14.374 -32.938 -4.022 1.00 41.33 C ATOM 1336 C ARG A 86 13.230 -33.550 -3.219 1.00 62.35 C ATOM 1337 O ARG A 86 13.011 -34.761 -3.256 1.00 32.20 O ATOM 1338 CB ARG A 86 15.407 -32.326 -3.074 1.00 13.03 C ATOM 1339 CG ARG A 86 16.717 -31.963 -3.752 1.00 43.24 C ATOM 1340 CD ARG A 86 17.648 -33.162 -3.843 1.00 45.41 C ATOM 1341 NE ARG A 86 17.464 -33.905 -5.087 1.00 31.15 N ATOM 1342 CZ ARG A 86 17.930 -33.499 -6.262 1.00 44.30 C ATOM 1343 NH1 ARG A 86 18.606 -32.362 -6.354 1.00 11.54 N ATOM 1344 NH2 ARG A 86 17.722 -34.231 -7.349 1.00 12.40 N ATOM 0 H ARG A 86 14.141 -30.972 -4.712 1.00 42.42 H new ATOM 0 HA ARG A 86 14.849 -33.727 -4.605 1.00 41.33 H new ATOM 0 HB2 ARG A 86 14.984 -31.431 -2.618 1.00 13.03 H new ATOM 0 HB3 ARG A 86 15.609 -33.030 -2.267 1.00 13.03 H new ATOM 0 HG2 ARG A 86 16.516 -31.580 -4.753 1.00 43.24 H new ATOM 0 HG3 ARG A 86 17.206 -31.163 -3.197 1.00 43.24 H new ATOM 0 HD2 ARG A 86 18.682 -32.824 -3.772 1.00 45.41 H new ATOM 0 HD3 ARG A 86 17.470 -33.824 -2.996 1.00 45.41 H new ATOM 0 HE ARG A 86 16.949 -34.785 -5.051 1.00 31.15 H new ATOM 0 HH11 ARG A 86 18.769 -31.797 -5.521 1.00 11.54 H new ATOM 0 HH12 ARG A 86 18.963 -32.053 -7.258 1.00 11.54 H new ATOM 0 HH21 ARG A 86 17.203 -35.107 -7.283 1.00 12.40 H new ATOM 0 HH22 ARG A 86 18.081 -33.918 -8.251 1.00 12.40 H new ATOM 1358 N VAL A 87 12.504 -32.705 -2.494 1.00 60.42 N ATOM 1359 CA VAL A 87 11.382 -33.163 -1.683 1.00 24.02 C ATOM 1360 C VAL A 87 10.287 -33.770 -2.552 1.00 54.51 C ATOM 1361 O VAL A 87 9.509 -34.607 -2.095 1.00 33.53 O ATOM 1362 CB VAL A 87 10.785 -32.012 -0.851 1.00 70.43 C ATOM 1363 CG1 VAL A 87 11.794 -31.513 0.172 1.00 73.11 C ATOM 1364 CG2 VAL A 87 10.329 -30.880 -1.759 1.00 63.23 C ATOM 0 H VAL A 87 12.673 -31.700 -2.452 1.00 60.42 H new ATOM 0 HA VAL A 87 11.769 -33.926 -1.008 1.00 24.02 H new ATOM 0 HB VAL A 87 9.915 -32.389 -0.313 1.00 70.43 H new ATOM 0 HG11 VAL A 87 11.354 -30.700 0.750 1.00 73.11 H new ATOM 0 HG12 VAL A 87 12.067 -32.329 0.842 1.00 73.11 H new ATOM 0 HG13 VAL A 87 12.685 -31.152 -0.342 1.00 73.11 H new ATOM 0 HG21 VAL A 87 9.910 -30.075 -1.155 1.00 63.23 H new ATOM 0 HG22 VAL A 87 11.180 -30.503 -2.326 1.00 63.23 H new ATOM 0 HG23 VAL A 87 9.570 -31.250 -2.448 1.00 63.23 H new ATOM 1374 N HIS A 88 10.231 -33.341 -3.809 1.00 70.12 N ATOM 1375 CA HIS A 88 9.230 -33.843 -4.744 1.00 44.14 C ATOM 1376 C HIS A 88 9.599 -35.239 -5.237 1.00 31.34 C ATOM 1377 O HIS A 88 8.768 -35.947 -5.804 1.00 63.43 O ATOM 1378 CB HIS A 88 9.090 -32.891 -5.933 1.00 34.23 C ATOM 1379 CG HIS A 88 8.150 -31.752 -5.680 1.00 21.50 C ATOM 1380 ND1 HIS A 88 8.449 -30.703 -4.836 1.00 73.43 N ATOM 1381 CD2 HIS A 88 6.912 -31.501 -6.167 1.00 65.00 C ATOM 1382 CE1 HIS A 88 7.435 -29.857 -4.814 1.00 52.10 C ATOM 1383 NE2 HIS A 88 6.490 -30.318 -5.614 1.00 13.54 N ATOM 0 H HIS A 88 10.866 -32.647 -4.203 1.00 70.12 H new ATOM 0 HA HIS A 88 8.276 -33.902 -4.220 1.00 44.14 H new ATOM 0 HB2 HIS A 88 10.072 -32.492 -6.186 1.00 34.23 H new ATOM 0 HB3 HIS A 88 8.742 -33.453 -6.799 1.00 34.23 H new ATOM 0 HD1 HIS A 88 9.317 -30.597 -4.311 1.00 73.43 H new ATOM 0 HD2 HIS A 88 6.360 -32.117 -6.861 1.00 65.00 H new ATOM 0 HE1 HIS A 88 7.387 -28.944 -4.240 1.00 52.10 H new ATOM 1391 N GLY A 89 10.851 -35.628 -5.016 1.00 31.55 N ATOM 1392 CA GLY A 89 11.307 -36.938 -5.444 1.00 3.23 C ATOM 1393 C GLY A 89 11.330 -37.079 -6.953 1.00 4.13 C ATOM 1394 O GLY A 89 11.353 -38.191 -7.479 1.00 70.43 O ATOM 0 H GLY A 89 11.557 -35.060 -4.548 1.00 31.55 H new ATOM 0 HA2 GLY A 89 12.307 -37.118 -5.050 1.00 3.23 H new ATOM 0 HA3 GLY A 89 10.655 -37.702 -5.021 1.00 3.23 H new ATOM 1398 N VAL A 90 11.323 -35.948 -7.651 1.00 62.15 N ATOM 1399 CA VAL A 90 11.343 -35.950 -9.109 1.00 71.24 C ATOM 1400 C VAL A 90 12.747 -35.684 -9.640 1.00 70.03 C ATOM 1401 O VAL A 90 13.528 -34.963 -9.021 1.00 44.33 O ATOM 1402 CB VAL A 90 10.380 -34.895 -9.685 1.00 74.22 C ATOM 1403 CG1 VAL A 90 10.306 -35.009 -11.200 1.00 65.12 C ATOM 1404 CG2 VAL A 90 8.999 -35.040 -9.064 1.00 54.01 C ATOM 0 H VAL A 90 11.304 -35.019 -7.231 1.00 62.15 H new ATOM 0 HA VAL A 90 11.019 -36.940 -9.428 1.00 71.24 H new ATOM 0 HB VAL A 90 10.763 -33.905 -9.438 1.00 74.22 H new ATOM 0 HG11 VAL A 90 9.621 -34.256 -11.589 1.00 65.12 H new ATOM 0 HG12 VAL A 90 11.297 -34.852 -11.626 1.00 65.12 H new ATOM 0 HG13 VAL A 90 9.947 -36.001 -11.473 1.00 65.12 H new ATOM 0 HG21 VAL A 90 8.331 -34.287 -9.482 1.00 54.01 H new ATOM 0 HG22 VAL A 90 8.606 -36.034 -9.279 1.00 54.01 H new ATOM 0 HG23 VAL A 90 9.069 -34.904 -7.985 1.00 54.01 H new ATOM 1414 N GLU A 91 13.060 -36.271 -10.791 1.00 72.32 N ATOM 1415 CA GLU A 91 14.371 -36.097 -11.405 1.00 72.33 C ATOM 1416 C GLU A 91 14.533 -34.681 -11.950 1.00 10.14 C ATOM 1417 O GLU A 91 13.561 -33.954 -12.160 1.00 24.53 O ATOM 1418 CB GLU A 91 14.570 -37.114 -12.531 1.00 63.02 C ATOM 1419 CG GLU A 91 15.185 -38.424 -12.067 1.00 11.31 C ATOM 1420 CD GLU A 91 14.240 -39.238 -11.204 1.00 43.03 C ATOM 1421 OE1 GLU A 91 14.207 -39.004 -9.978 1.00 24.31 O ATOM 1422 OE2 GLU A 91 13.535 -40.108 -11.755 1.00 35.51 O ATOM 0 H GLU A 91 12.424 -36.871 -11.317 1.00 72.32 H new ATOM 0 HA GLU A 91 15.128 -36.261 -10.638 1.00 72.33 H new ATOM 0 HB2 GLU A 91 13.607 -37.320 -12.998 1.00 63.02 H new ATOM 0 HB3 GLU A 91 15.208 -36.674 -13.298 1.00 63.02 H new ATOM 0 HG2 GLU A 91 15.475 -39.013 -12.937 1.00 11.31 H new ATOM 0 HG3 GLU A 91 16.095 -38.215 -11.505 1.00 11.31 H new ATOM 1429 N PRO A 92 15.791 -34.278 -12.183 1.00 53.31 N ATOM 1430 CA PRO A 92 16.111 -32.946 -12.706 1.00 10.04 C ATOM 1431 C PRO A 92 15.682 -32.775 -14.159 1.00 22.01 C ATOM 1432 O PRO A 92 15.786 -33.704 -14.960 1.00 42.01 O ATOM 1433 CB PRO A 92 17.635 -32.875 -12.586 1.00 23.10 C ATOM 1434 CG PRO A 92 18.085 -34.295 -12.623 1.00 34.13 C ATOM 1435 CD PRO A 92 16.997 -35.091 -11.956 1.00 1.14 C ATOM 0 HA PRO A 92 15.590 -32.158 -12.162 1.00 10.04 H new ATOM 0 HB2 PRO A 92 18.070 -32.301 -13.404 1.00 23.10 H new ATOM 0 HB3 PRO A 92 17.937 -32.388 -11.659 1.00 23.10 H new ATOM 0 HG2 PRO A 92 18.240 -34.629 -13.649 1.00 34.13 H new ATOM 0 HG3 PRO A 92 19.034 -34.417 -12.101 1.00 34.13 H new ATOM 0 HD2 PRO A 92 16.900 -36.084 -12.394 1.00 1.14 H new ATOM 0 HD3 PRO A 92 17.194 -35.229 -10.893 1.00 1.14 H new ATOM 1443 N ASP A 93 15.201 -31.583 -14.492 1.00 52.34 N ATOM 1444 CA ASP A 93 14.758 -31.290 -15.850 1.00 54.45 C ATOM 1445 C ASP A 93 14.966 -29.816 -16.184 1.00 13.42 C ATOM 1446 O ASP A 93 14.766 -28.943 -15.338 1.00 75.42 O ATOM 1447 CB ASP A 93 13.283 -31.660 -16.020 1.00 24.31 C ATOM 1448 CG ASP A 93 13.067 -33.159 -16.086 1.00 64.43 C ATOM 1449 OD1 ASP A 93 12.945 -33.789 -15.015 1.00 15.21 O ATOM 1450 OD2 ASP A 93 13.022 -33.704 -17.210 1.00 2.53 O ATOM 0 H ASP A 93 15.108 -30.804 -13.840 1.00 52.34 H new ATOM 0 HA ASP A 93 15.357 -31.888 -16.537 1.00 54.45 H new ATOM 0 HB2 ASP A 93 12.710 -31.249 -15.189 1.00 24.31 H new ATOM 0 HB3 ASP A 93 12.898 -31.200 -16.930 1.00 24.31 H new ATOM 1455 N ASP A 94 15.369 -29.545 -17.420 1.00 65.32 N ATOM 1456 CA ASP A 94 15.605 -28.177 -17.866 1.00 0.24 C ATOM 1457 C ASP A 94 14.496 -27.712 -18.804 1.00 70.45 C ATOM 1458 O ASP A 94 14.011 -26.587 -18.699 1.00 45.44 O ATOM 1459 CB ASP A 94 16.961 -28.072 -18.566 1.00 74.12 C ATOM 1460 CG ASP A 94 18.114 -27.984 -17.586 1.00 13.30 C ATOM 1461 OD1 ASP A 94 17.856 -27.986 -16.364 1.00 35.01 O ATOM 1462 OD2 ASP A 94 19.274 -27.913 -18.041 1.00 23.22 O ATOM 0 H ASP A 94 15.539 -30.255 -18.132 1.00 65.32 H new ATOM 0 HA ASP A 94 15.608 -27.531 -16.988 1.00 0.24 H new ATOM 0 HB2 ASP A 94 17.102 -28.939 -19.211 1.00 74.12 H new ATOM 0 HB3 ASP A 94 16.967 -27.192 -19.209 1.00 74.12 H new ATOM 1467 N ASN A 95 14.100 -28.588 -19.723 1.00 12.22 N ATOM 1468 CA ASN A 95 13.049 -28.267 -20.682 1.00 10.33 C ATOM 1469 C ASN A 95 11.771 -27.839 -19.966 1.00 4.02 C ATOM 1470 O ASN A 95 10.958 -27.095 -20.514 1.00 52.33 O ATOM 1471 CB ASN A 95 12.764 -29.472 -21.580 1.00 42.13 C ATOM 1472 CG ASN A 95 13.878 -29.725 -22.578 1.00 22.54 C ATOM 1473 OD1 ASN A 95 14.988 -30.105 -22.202 1.00 52.55 O ATOM 1474 ND2 ASN A 95 13.586 -29.516 -23.856 1.00 65.51 N ATOM 0 H ASN A 95 14.491 -29.525 -19.823 1.00 12.22 H new ATOM 0 HA ASN A 95 13.395 -27.437 -21.298 1.00 10.33 H new ATOM 0 HB2 ASN A 95 12.626 -30.359 -20.961 1.00 42.13 H new ATOM 0 HB3 ASN A 95 11.829 -29.309 -22.116 1.00 42.13 H new ATOM 0 HD21 ASN A 95 14.295 -29.670 -24.573 1.00 65.51 H new ATOM 0 HD22 ASN A 95 12.653 -29.201 -24.121 1.00 65.51 H new ATOM 1481 N THR A 96 11.601 -28.314 -18.736 1.00 22.22 N ATOM 1482 CA THR A 96 10.423 -27.982 -17.944 1.00 64.13 C ATOM 1483 C THR A 96 10.482 -26.542 -17.449 1.00 52.43 C ATOM 1484 O THR A 96 9.452 -25.927 -17.177 1.00 13.13 O ATOM 1485 CB THR A 96 10.276 -28.923 -16.734 1.00 22.41 C ATOM 1486 OG1 THR A 96 10.464 -30.282 -17.144 1.00 70.34 O ATOM 1487 CG2 THR A 96 8.907 -28.767 -16.090 1.00 73.34 C ATOM 0 H THR A 96 12.265 -28.930 -18.267 1.00 22.22 H new ATOM 0 HA THR A 96 9.559 -28.104 -18.597 1.00 64.13 H new ATOM 0 HB THR A 96 11.037 -28.657 -16.001 1.00 22.41 H new ATOM 0 HG1 THR A 96 10.371 -30.874 -16.368 1.00 70.34 H new ATOM 0 HG21 THR A 96 8.827 -29.442 -15.238 1.00 73.34 H new ATOM 0 HG22 THR A 96 8.779 -27.739 -15.752 1.00 73.34 H new ATOM 0 HG23 THR A 96 8.133 -29.009 -16.818 1.00 73.34 H new ATOM 1495 N ASN A 97 11.694 -26.008 -17.336 1.00 20.40 N ATOM 1496 CA ASN A 97 11.886 -24.639 -16.873 1.00 44.35 C ATOM 1497 C ASN A 97 11.064 -23.662 -17.708 1.00 74.13 C ATOM 1498 O ASN A 97 10.666 -22.601 -17.229 1.00 30.21 O ATOM 1499 CB ASN A 97 13.367 -24.260 -16.937 1.00 44.05 C ATOM 1500 CG ASN A 97 13.696 -23.063 -16.066 1.00 24.42 C ATOM 1501 OD1 ASN A 97 12.832 -22.533 -15.368 1.00 33.41 O ATOM 1502 ND2 ASN A 97 14.952 -22.632 -16.103 1.00 32.14 N ATOM 0 H ASN A 97 12.558 -26.503 -17.559 1.00 20.40 H new ATOM 0 HA ASN A 97 11.547 -24.581 -15.839 1.00 44.35 H new ATOM 0 HB2 ASN A 97 13.971 -25.111 -16.623 1.00 44.05 H new ATOM 0 HB3 ASN A 97 13.639 -24.040 -17.969 1.00 44.05 H new ATOM 0 HD21 ASN A 97 15.233 -21.831 -15.538 1.00 32.14 H new ATOM 0 HD22 ASN A 97 15.635 -23.102 -16.697 1.00 32.14 H new ATOM 1509 N GLY A 98 10.812 -24.029 -18.961 1.00 75.22 N ATOM 1510 CA GLY A 98 10.037 -23.175 -19.843 1.00 22.21 C ATOM 1511 C GLY A 98 10.630 -21.786 -19.972 1.00 14.12 C ATOM 1512 O GLY A 98 9.902 -20.793 -20.003 1.00 31.34 O ATOM 0 H GLY A 98 11.131 -24.902 -19.381 1.00 75.22 H new ATOM 0 HA2 GLY A 98 9.978 -23.635 -20.830 1.00 22.21 H new ATOM 0 HA3 GLY A 98 9.017 -23.098 -19.466 1.00 22.21 H new ATOM 1516 N PHE A 99 11.954 -21.714 -20.046 1.00 5.21 N ATOM 1517 CA PHE A 99 12.645 -20.435 -20.169 1.00 72.33 C ATOM 1518 C PHE A 99 12.493 -19.869 -21.578 1.00 64.33 C ATOM 1519 O PHE A 99 12.556 -18.657 -21.783 1.00 52.11 O ATOM 1520 CB PHE A 99 14.128 -20.597 -19.829 1.00 72.43 C ATOM 1521 CG PHE A 99 14.787 -19.319 -19.396 1.00 34.13 C ATOM 1522 CD1 PHE A 99 15.220 -18.395 -20.333 1.00 31.11 C ATOM 1523 CD2 PHE A 99 14.972 -19.041 -18.051 1.00 60.21 C ATOM 1524 CE1 PHE A 99 15.827 -17.219 -19.937 1.00 1.45 C ATOM 1525 CE2 PHE A 99 15.578 -17.866 -17.649 1.00 23.04 C ATOM 1526 CZ PHE A 99 16.005 -16.953 -18.593 1.00 24.12 C ATOM 0 H PHE A 99 12.571 -22.526 -20.023 1.00 5.21 H new ATOM 0 HA PHE A 99 12.193 -19.737 -19.465 1.00 72.33 H new ATOM 0 HB2 PHE A 99 14.232 -21.337 -19.035 1.00 72.43 H new ATOM 0 HB3 PHE A 99 14.652 -20.989 -20.701 1.00 72.43 H new ATOM 0 HD1 PHE A 99 15.081 -18.596 -21.385 1.00 31.11 H new ATOM 0 HD2 PHE A 99 14.639 -19.751 -17.308 1.00 60.21 H new ATOM 0 HE1 PHE A 99 16.162 -16.508 -20.678 1.00 1.45 H new ATOM 0 HE2 PHE A 99 15.718 -17.662 -16.598 1.00 23.04 H new ATOM 0 HZ PHE A 99 16.477 -16.033 -18.281 1.00 24.12 H new ATOM 1536 N LYS A 100 12.295 -20.756 -22.547 1.00 73.34 N ATOM 1537 CA LYS A 100 12.133 -20.348 -23.938 1.00 4.22 C ATOM 1538 C LYS A 100 11.059 -19.273 -24.068 1.00 3.30 C ATOM 1539 O LYS A 100 11.263 -18.255 -24.728 1.00 2.53 O ATOM 1540 CB LYS A 100 11.770 -21.554 -24.806 1.00 64.34 C ATOM 1541 CG LYS A 100 12.917 -22.532 -24.999 1.00 35.20 C ATOM 1542 CD LYS A 100 12.411 -23.951 -25.203 1.00 42.41 C ATOM 1543 CE LYS A 100 12.026 -24.202 -26.653 1.00 14.41 C ATOM 1544 NZ LYS A 100 10.634 -23.758 -26.942 1.00 12.25 N ATOM 0 H LYS A 100 12.243 -21.763 -22.395 1.00 73.34 H new ATOM 0 HA LYS A 100 13.081 -19.933 -24.281 1.00 4.22 H new ATOM 0 HB2 LYS A 100 10.929 -22.078 -24.352 1.00 64.34 H new ATOM 0 HB3 LYS A 100 11.436 -21.201 -25.782 1.00 64.34 H new ATOM 0 HG2 LYS A 100 13.513 -22.230 -25.860 1.00 35.20 H new ATOM 0 HG3 LYS A 100 13.574 -22.500 -24.130 1.00 35.20 H new ATOM 0 HD2 LYS A 100 13.182 -24.660 -24.902 1.00 42.41 H new ATOM 0 HD3 LYS A 100 11.548 -24.127 -24.561 1.00 42.41 H new ATOM 0 HE2 LYS A 100 12.719 -23.675 -27.309 1.00 14.41 H new ATOM 0 HE3 LYS A 100 12.122 -25.265 -26.876 1.00 14.41 H new ATOM 0 HZ1 LYS A 100 10.296 -24.220 -27.810 1.00 12.25 H new ATOM 0 HZ2 LYS A 100 10.015 -24.018 -26.148 1.00 12.25 H new ATOM 0 HZ3 LYS A 100 10.618 -22.726 -27.070 1.00 12.25 H new ATOM 1558 N GLY A 101 9.915 -19.506 -23.433 1.00 14.11 N ATOM 1559 CA GLY A 101 8.826 -18.548 -23.490 1.00 3.45 C ATOM 1560 C GLY A 101 8.998 -17.416 -22.495 1.00 74.24 C ATOM 1561 O GLY A 101 8.725 -16.257 -22.810 1.00 4.22 O ATOM 0 H GLY A 101 9.722 -20.341 -22.880 1.00 14.11 H new ATOM 0 HA2 GLY A 101 8.761 -18.136 -24.497 1.00 3.45 H new ATOM 0 HA3 GLY A 101 7.884 -19.061 -23.294 1.00 3.45 H new ATOM 1565 N LEU A 102 9.448 -17.752 -21.292 1.00 4.23 N ATOM 1566 CA LEU A 102 9.654 -16.755 -20.247 1.00 23.14 C ATOM 1567 C LEU A 102 10.633 -15.679 -20.706 1.00 2.04 C ATOM 1568 O LEU A 102 10.584 -14.542 -20.239 1.00 11.54 O ATOM 1569 CB LEU A 102 10.174 -17.423 -18.972 1.00 71.34 C ATOM 1570 CG LEU A 102 10.778 -16.489 -17.923 1.00 72.31 C ATOM 1571 CD1 LEU A 102 9.724 -15.530 -17.392 1.00 75.41 C ATOM 1572 CD2 LEU A 102 11.393 -17.292 -16.786 1.00 12.33 C ATOM 0 H LEU A 102 9.677 -18.707 -21.015 1.00 4.23 H new ATOM 0 HA LEU A 102 8.695 -16.282 -20.037 1.00 23.14 H new ATOM 0 HB2 LEU A 102 9.352 -17.971 -18.511 1.00 71.34 H new ATOM 0 HB3 LEU A 102 10.929 -18.158 -19.253 1.00 71.34 H new ATOM 0 HG LEU A 102 11.566 -15.903 -18.396 1.00 72.31 H new ATOM 0 HD11 LEU A 102 10.172 -14.873 -16.647 1.00 75.41 H new ATOM 0 HD12 LEU A 102 9.330 -14.931 -18.213 1.00 75.41 H new ATOM 0 HD13 LEU A 102 8.913 -16.097 -16.935 1.00 75.41 H new ATOM 0 HD21 LEU A 102 11.818 -16.611 -16.048 1.00 12.33 H new ATOM 0 HD22 LEU A 102 10.624 -17.903 -16.315 1.00 12.33 H new ATOM 0 HD23 LEU A 102 12.178 -17.937 -17.180 1.00 12.33 H new ATOM 1584 N MET A 103 11.520 -16.046 -21.624 1.00 62.45 N ATOM 1585 CA MET A 103 12.508 -15.111 -22.149 1.00 43.02 C ATOM 1586 C MET A 103 11.836 -14.012 -22.967 1.00 25.25 C ATOM 1587 O MET A 103 12.081 -12.825 -22.749 1.00 73.15 O ATOM 1588 CB MET A 103 13.534 -15.850 -23.012 1.00 13.45 C ATOM 1589 CG MET A 103 14.559 -14.932 -23.657 1.00 3.55 C ATOM 1590 SD MET A 103 15.558 -14.046 -22.445 1.00 24.25 S ATOM 1591 CE MET A 103 14.946 -12.376 -22.656 1.00 22.31 C ATOM 0 H MET A 103 11.575 -16.984 -22.020 1.00 62.45 H new ATOM 0 HA MET A 103 13.019 -14.650 -21.304 1.00 43.02 H new ATOM 0 HB2 MET A 103 14.053 -16.585 -22.396 1.00 13.45 H new ATOM 0 HB3 MET A 103 13.010 -16.402 -23.793 1.00 13.45 H new ATOM 0 HG2 MET A 103 15.213 -15.520 -24.301 1.00 3.55 H new ATOM 0 HG3 MET A 103 14.046 -14.212 -24.295 1.00 3.55 H new ATOM 0 HE1 MET A 103 15.787 -11.684 -22.709 1.00 22.31 H new ATOM 0 HE2 MET A 103 14.367 -12.315 -23.577 1.00 22.31 H new ATOM 0 HE3 MET A 103 14.312 -12.111 -21.810 1.00 22.31 H new ATOM 1601 N LYS A 104 10.989 -14.415 -23.907 1.00 42.05 N ATOM 1602 CA LYS A 104 10.281 -13.465 -24.757 1.00 72.23 C ATOM 1603 C LYS A 104 9.139 -12.800 -23.995 1.00 44.53 C ATOM 1604 O LYS A 104 8.743 -11.677 -24.308 1.00 43.35 O ATOM 1605 CB LYS A 104 9.735 -14.171 -26.001 1.00 11.32 C ATOM 1606 CG LYS A 104 10.017 -13.427 -27.295 1.00 32.11 C ATOM 1607 CD LYS A 104 11.505 -13.377 -27.596 1.00 62.04 C ATOM 1608 CE LYS A 104 11.770 -13.353 -29.094 1.00 40.40 C ATOM 1609 NZ LYS A 104 11.179 -12.149 -29.742 1.00 74.53 N ATOM 0 H LYS A 104 10.776 -15.394 -24.100 1.00 42.05 H new ATOM 0 HA LYS A 104 10.987 -12.694 -25.065 1.00 72.23 H new ATOM 0 HB2 LYS A 104 10.170 -15.168 -26.063 1.00 11.32 H new ATOM 0 HB3 LYS A 104 8.658 -14.299 -25.893 1.00 11.32 H new ATOM 0 HG2 LYS A 104 9.495 -13.915 -28.118 1.00 32.11 H new ATOM 0 HG3 LYS A 104 9.625 -12.412 -27.225 1.00 32.11 H new ATOM 0 HD2 LYS A 104 11.941 -12.491 -27.134 1.00 62.04 H new ATOM 0 HD3 LYS A 104 11.996 -14.243 -27.152 1.00 62.04 H new ATOM 0 HE2 LYS A 104 12.845 -13.371 -29.273 1.00 40.40 H new ATOM 0 HE3 LYS A 104 11.356 -14.252 -29.551 1.00 40.40 H new ATOM 0 HZ1 LYS A 104 11.438 -12.134 -30.749 1.00 74.53 H new ATOM 0 HZ2 LYS A 104 10.143 -12.179 -29.652 1.00 74.53 H new ATOM 0 HZ3 LYS A 104 11.542 -11.292 -29.278 1.00 74.53 H new ATOM 1623 N ARG A 105 8.616 -13.498 -22.993 1.00 70.33 N ATOM 1624 CA ARG A 105 7.520 -12.974 -22.187 1.00 24.32 C ATOM 1625 C ARG A 105 7.963 -11.742 -21.403 1.00 61.03 C ATOM 1626 O ARG A 105 7.161 -10.853 -21.116 1.00 75.23 O ATOM 1627 CB ARG A 105 7.009 -14.047 -21.224 1.00 71.40 C ATOM 1628 CG ARG A 105 5.591 -13.801 -20.735 1.00 1.03 C ATOM 1629 CD ARG A 105 5.124 -14.906 -19.800 1.00 4.10 C ATOM 1630 NE ARG A 105 3.669 -14.957 -19.697 1.00 75.21 N ATOM 1631 CZ ARG A 105 2.888 -15.534 -20.604 1.00 34.24 C ATOM 1632 NH1 ARG A 105 3.420 -16.106 -21.674 1.00 61.45 N ATOM 1633 NH2 ARG A 105 1.571 -15.540 -20.439 1.00 71.15 N ATOM 0 H ARG A 105 8.933 -14.428 -22.720 1.00 70.33 H new ATOM 0 HA ARG A 105 6.713 -12.685 -22.860 1.00 24.32 H new ATOM 0 HB2 ARG A 105 7.050 -15.017 -21.719 1.00 71.40 H new ATOM 0 HB3 ARG A 105 7.677 -14.099 -20.364 1.00 71.40 H new ATOM 0 HG2 ARG A 105 5.544 -12.842 -20.219 1.00 1.03 H new ATOM 0 HG3 ARG A 105 4.917 -13.736 -21.589 1.00 1.03 H new ATOM 0 HD2 ARG A 105 5.496 -15.866 -20.159 1.00 4.10 H new ATOM 0 HD3 ARG A 105 5.552 -14.748 -18.810 1.00 4.10 H new ATOM 0 HE ARG A 105 3.228 -14.526 -18.885 1.00 75.21 H new ATOM 0 HH11 ARG A 105 4.432 -16.104 -21.803 1.00 61.45 H new ATOM 0 HH12 ARG A 105 2.818 -16.548 -22.368 1.00 61.45 H new ATOM 0 HH21 ARG A 105 1.158 -15.102 -19.616 1.00 71.15 H new ATOM 0 HH22 ARG A 105 0.972 -15.983 -21.135 1.00 71.15 H new ATOM 1647 N THR A 106 9.246 -11.696 -21.059 1.00 4.51 N ATOM 1648 CA THR A 106 9.796 -10.574 -20.307 1.00 71.24 C ATOM 1649 C THR A 106 10.150 -9.414 -21.231 1.00 23.31 C ATOM 1650 O THR A 106 9.718 -8.281 -21.016 1.00 65.12 O ATOM 1651 CB THR A 106 11.052 -10.989 -19.518 1.00 13.25 C ATOM 1652 OG1 THR A 106 11.968 -11.673 -20.379 1.00 24.12 O ATOM 1653 CG2 THR A 106 10.682 -11.886 -18.346 1.00 63.31 C ATOM 0 H THR A 106 9.924 -12.422 -21.289 1.00 4.51 H new ATOM 0 HA THR A 106 9.025 -10.254 -19.606 1.00 71.24 H new ATOM 0 HB THR A 106 11.525 -10.087 -19.130 1.00 13.25 H new ATOM 0 HG1 THR A 106 12.810 -11.830 -19.902 1.00 24.12 H new ATOM 0 HG21 THR A 106 11.585 -12.167 -17.803 1.00 63.31 H new ATOM 0 HG22 THR A 106 10.008 -11.351 -17.677 1.00 63.31 H new ATOM 0 HG23 THR A 106 10.188 -12.784 -18.717 1.00 63.31 H new ATOM 1661 N THR A 107 10.939 -9.704 -22.261 1.00 42.31 N ATOM 1662 CA THR A 107 11.352 -8.685 -23.218 1.00 1.44 C ATOM 1663 C THR A 107 10.146 -7.964 -23.808 1.00 54.12 C ATOM 1664 O THR A 107 10.200 -6.766 -24.086 1.00 15.42 O ATOM 1665 CB THR A 107 12.184 -9.293 -24.363 1.00 14.33 C ATOM 1666 OG1 THR A 107 11.485 -10.401 -24.941 1.00 11.04 O ATOM 1667 CG2 THR A 107 13.544 -9.751 -23.859 1.00 70.23 C ATOM 0 H THR A 107 11.305 -10.636 -22.454 1.00 42.31 H new ATOM 0 HA THR A 107 11.968 -7.970 -22.672 1.00 1.44 H new ATOM 0 HB THR A 107 12.336 -8.525 -25.121 1.00 14.33 H new ATOM 0 HG1 THR A 107 12.020 -10.781 -25.669 1.00 11.04 H new ATOM 0 HG21 THR A 107 14.114 -10.177 -24.685 1.00 70.23 H new ATOM 0 HG22 THR A 107 14.085 -8.899 -23.446 1.00 70.23 H new ATOM 0 HG23 THR A 107 13.410 -10.506 -23.084 1.00 70.23 H new ATOM 1675 N LYS A 108 9.056 -8.701 -23.998 1.00 4.13 N ATOM 1676 CA LYS A 108 7.834 -8.132 -24.554 1.00 24.32 C ATOM 1677 C LYS A 108 7.385 -6.916 -23.750 1.00 21.44 C ATOM 1678 O LYS A 108 7.097 -5.859 -24.312 1.00 75.32 O ATOM 1679 CB LYS A 108 6.722 -9.183 -24.574 1.00 52.13 C ATOM 1680 CG LYS A 108 6.505 -9.813 -25.939 1.00 41.33 C ATOM 1681 CD LYS A 108 5.203 -9.346 -26.568 1.00 70.23 C ATOM 1682 CE LYS A 108 5.243 -7.862 -26.897 1.00 0.45 C ATOM 1683 NZ LYS A 108 3.991 -7.407 -27.563 1.00 3.22 N ATOM 0 H LYS A 108 8.994 -9.694 -23.775 1.00 4.13 H new ATOM 0 HA LYS A 108 8.043 -7.813 -25.575 1.00 24.32 H new ATOM 0 HB2 LYS A 108 6.961 -9.967 -23.855 1.00 52.13 H new ATOM 0 HB3 LYS A 108 5.791 -8.721 -24.244 1.00 52.13 H new ATOM 0 HG2 LYS A 108 7.338 -9.559 -26.594 1.00 41.33 H new ATOM 0 HG3 LYS A 108 6.495 -10.899 -25.842 1.00 41.33 H new ATOM 0 HD2 LYS A 108 5.012 -9.916 -27.477 1.00 70.23 H new ATOM 0 HD3 LYS A 108 4.376 -9.546 -25.887 1.00 70.23 H new ATOM 0 HE2 LYS A 108 5.395 -7.291 -25.981 1.00 0.45 H new ATOM 0 HE3 LYS A 108 6.095 -7.657 -27.546 1.00 0.45 H new ATOM 0 HZ1 LYS A 108 4.058 -6.390 -27.771 1.00 3.22 H new ATOM 0 HZ2 LYS A 108 3.859 -7.934 -28.450 1.00 3.22 H new ATOM 0 HZ3 LYS A 108 3.181 -7.579 -26.934 1.00 3.22 H new ATOM 1697 N LEU A 109 7.329 -7.072 -22.432 1.00 23.44 N ATOM 1698 CA LEU A 109 6.917 -5.986 -21.549 1.00 74.34 C ATOM 1699 C LEU A 109 8.045 -4.977 -21.363 1.00 63.41 C ATOM 1700 O LEU A 109 7.801 -3.789 -21.150 1.00 24.03 O ATOM 1701 CB LEU A 109 6.485 -6.542 -20.191 1.00 73.13 C ATOM 1702 CG LEU A 109 5.024 -6.981 -20.079 1.00 63.25 C ATOM 1703 CD1 LEU A 109 4.819 -7.843 -18.843 1.00 40.31 C ATOM 1704 CD2 LEU A 109 4.104 -5.770 -20.046 1.00 42.43 C ATOM 0 H LEU A 109 7.564 -7.940 -21.951 1.00 23.44 H new ATOM 0 HA LEU A 109 6.072 -5.476 -22.011 1.00 74.34 H new ATOM 0 HB2 LEU A 109 7.119 -7.396 -19.952 1.00 73.13 H new ATOM 0 HB3 LEU A 109 6.674 -5.782 -19.433 1.00 73.13 H new ATOM 0 HG LEU A 109 4.775 -7.577 -20.957 1.00 63.25 H new ATOM 0 HD11 LEU A 109 3.774 -8.146 -18.780 1.00 40.31 H new ATOM 0 HD12 LEU A 109 5.450 -8.729 -18.909 1.00 40.31 H new ATOM 0 HD13 LEU A 109 5.086 -7.273 -17.953 1.00 40.31 H new ATOM 0 HD21 LEU A 109 3.069 -6.102 -19.966 1.00 42.43 H new ATOM 0 HD22 LEU A 109 4.353 -5.147 -19.187 1.00 42.43 H new ATOM 0 HD23 LEU A 109 4.230 -5.192 -20.962 1.00 42.43 H new ATOM 1716 N LEU A 110 9.281 -5.458 -21.447 1.00 50.21 N ATOM 1717 CA LEU A 110 10.449 -4.598 -21.290 1.00 53.41 C ATOM 1718 C LEU A 110 10.384 -3.411 -22.247 1.00 34.33 C ATOM 1719 O LEU A 110 10.858 -2.319 -21.932 1.00 72.44 O ATOM 1720 CB LEU A 110 11.731 -5.395 -21.535 1.00 32.11 C ATOM 1721 CG LEU A 110 12.201 -6.282 -20.381 1.00 14.40 C ATOM 1722 CD1 LEU A 110 13.459 -7.042 -20.770 1.00 72.11 C ATOM 1723 CD2 LEU A 110 12.444 -5.447 -19.132 1.00 44.22 C ATOM 0 H LEU A 110 9.500 -6.439 -21.623 1.00 50.21 H new ATOM 0 HA LEU A 110 10.455 -4.218 -20.268 1.00 53.41 H new ATOM 0 HB2 LEU A 110 11.582 -6.024 -22.413 1.00 32.11 H new ATOM 0 HB3 LEU A 110 12.530 -4.694 -21.777 1.00 32.11 H new ATOM 0 HG LEU A 110 11.417 -7.007 -20.162 1.00 14.40 H new ATOM 0 HD11 LEU A 110 13.778 -7.668 -19.937 1.00 72.11 H new ATOM 0 HD12 LEU A 110 13.251 -7.670 -21.636 1.00 72.11 H new ATOM 0 HD13 LEU A 110 14.250 -6.334 -21.016 1.00 72.11 H new ATOM 0 HD21 LEU A 110 12.778 -6.094 -18.321 1.00 44.22 H new ATOM 0 HD22 LEU A 110 13.210 -4.699 -19.338 1.00 44.22 H new ATOM 0 HD23 LEU A 110 11.519 -4.949 -18.842 1.00 44.22 H new ATOM 1735 N LYS A 111 9.791 -3.632 -23.415 1.00 65.24 N ATOM 1736 CA LYS A 111 9.660 -2.582 -24.418 1.00 2.52 C ATOM 1737 C LYS A 111 8.901 -1.384 -23.855 1.00 74.41 C ATOM 1738 O LYS A 111 9.029 -0.265 -24.352 1.00 32.23 O ATOM 1739 CB LYS A 111 8.941 -3.118 -25.658 1.00 23.13 C ATOM 1740 CG LYS A 111 7.437 -3.240 -25.484 1.00 24.54 C ATOM 1741 CD LYS A 111 6.706 -2.070 -26.118 1.00 15.53 C ATOM 1742 CE LYS A 111 6.439 -2.313 -27.595 1.00 43.13 C ATOM 1743 NZ LYS A 111 5.294 -3.241 -27.807 1.00 51.31 N ATOM 0 H LYS A 111 9.393 -4.530 -23.691 1.00 65.24 H new ATOM 0 HA LYS A 111 10.661 -2.256 -24.699 1.00 2.52 H new ATOM 0 HB2 LYS A 111 9.148 -2.459 -26.501 1.00 23.13 H new ATOM 0 HB3 LYS A 111 9.350 -4.097 -25.910 1.00 23.13 H new ATOM 0 HG2 LYS A 111 7.092 -4.172 -25.933 1.00 24.54 H new ATOM 0 HG3 LYS A 111 7.195 -3.289 -24.422 1.00 24.54 H new ATOM 0 HD2 LYS A 111 5.762 -1.905 -25.599 1.00 15.53 H new ATOM 0 HD3 LYS A 111 7.298 -1.162 -25.999 1.00 15.53 H new ATOM 0 HE2 LYS A 111 6.232 -1.363 -28.088 1.00 43.13 H new ATOM 0 HE3 LYS A 111 7.333 -2.726 -28.062 1.00 43.13 H new ATOM 0 HZ1 LYS A 111 5.437 -3.772 -28.690 1.00 51.31 H new ATOM 0 HZ2 LYS A 111 5.233 -3.905 -27.009 1.00 51.31 H new ATOM 0 HZ3 LYS A 111 4.411 -2.695 -27.871 1.00 51.31 H new ATOM 1757 N LYS A 112 8.110 -1.627 -22.815 1.00 2.11 N ATOM 1758 CA LYS A 112 7.332 -0.569 -22.182 1.00 13.01 C ATOM 1759 C LYS A 112 8.246 0.493 -21.579 1.00 72.10 C ATOM 1760 O LYS A 112 7.999 1.691 -21.719 1.00 31.22 O ATOM 1761 CB LYS A 112 6.426 -1.154 -21.096 1.00 23.14 C ATOM 1762 CG LYS A 112 5.429 -2.173 -21.619 1.00 20.22 C ATOM 1763 CD LYS A 112 4.372 -1.521 -22.493 1.00 55.43 C ATOM 1764 CE LYS A 112 3.320 -0.807 -21.658 1.00 2.34 C ATOM 1765 NZ LYS A 112 2.296 -0.139 -22.507 1.00 74.14 N ATOM 0 H LYS A 112 7.991 -2.548 -22.393 1.00 2.11 H new ATOM 0 HA LYS A 112 6.715 -0.099 -22.948 1.00 13.01 H new ATOM 0 HB2 LYS A 112 7.046 -1.624 -20.332 1.00 23.14 H new ATOM 0 HB3 LYS A 112 5.883 -0.342 -20.612 1.00 23.14 H new ATOM 0 HG2 LYS A 112 5.955 -2.937 -22.191 1.00 20.22 H new ATOM 0 HG3 LYS A 112 4.949 -2.677 -20.780 1.00 20.22 H new ATOM 0 HD2 LYS A 112 4.846 -0.809 -23.169 1.00 55.43 H new ATOM 0 HD3 LYS A 112 3.893 -2.279 -23.113 1.00 55.43 H new ATOM 0 HE2 LYS A 112 2.832 -1.524 -20.998 1.00 2.34 H new ATOM 0 HE3 LYS A 112 3.803 -0.066 -21.022 1.00 2.34 H new ATOM 0 HZ1 LYS A 112 1.598 0.336 -21.900 1.00 74.14 H new ATOM 0 HZ2 LYS A 112 2.757 0.564 -23.119 1.00 74.14 H new ATOM 0 HZ3 LYS A 112 1.816 -0.849 -23.096 1.00 74.14 H new ATOM 1779 N VAL A 113 9.303 0.046 -20.909 1.00 65.13 N ATOM 1780 CA VAL A 113 10.256 0.958 -20.288 1.00 20.15 C ATOM 1781 C VAL A 113 11.327 1.394 -21.280 1.00 43.55 C ATOM 1782 O VAL A 113 11.917 2.467 -21.143 1.00 74.41 O ATOM 1783 CB VAL A 113 10.936 0.312 -19.066 1.00 65.31 C ATOM 1784 CG1 VAL A 113 9.935 0.116 -17.938 1.00 40.11 C ATOM 1785 CG2 VAL A 113 11.581 -1.011 -19.453 1.00 52.24 C ATOM 0 H VAL A 113 9.521 -0.942 -20.782 1.00 65.13 H new ATOM 0 HA VAL A 113 9.691 1.831 -19.961 1.00 20.15 H new ATOM 0 HB VAL A 113 11.719 0.983 -18.712 1.00 65.31 H new ATOM 0 HG11 VAL A 113 10.434 -0.341 -17.084 1.00 40.11 H new ATOM 0 HG12 VAL A 113 9.525 1.082 -17.644 1.00 40.11 H new ATOM 0 HG13 VAL A 113 9.128 -0.533 -18.277 1.00 40.11 H new ATOM 0 HG21 VAL A 113 12.057 -1.454 -18.578 1.00 52.24 H new ATOM 0 HG22 VAL A 113 10.818 -1.690 -19.834 1.00 52.24 H new ATOM 0 HG23 VAL A 113 12.331 -0.838 -20.225 1.00 52.24 H new ATOM 1795 N VAL A 114 11.575 0.556 -22.282 1.00 52.42 N ATOM 1796 CA VAL A 114 12.574 0.856 -23.300 1.00 44.14 C ATOM 1797 C VAL A 114 12.231 2.141 -24.046 1.00 24.11 C ATOM 1798 O VAL A 114 13.104 2.967 -24.313 1.00 51.43 O ATOM 1799 CB VAL A 114 12.704 -0.295 -24.316 1.00 13.31 C ATOM 1800 CG1 VAL A 114 13.707 0.062 -25.402 1.00 74.25 C ATOM 1801 CG2 VAL A 114 13.103 -1.583 -23.612 1.00 72.14 C ATOM 0 H VAL A 114 11.097 -0.336 -22.410 1.00 52.42 H new ATOM 0 HA VAL A 114 13.525 0.983 -22.782 1.00 44.14 H new ATOM 0 HB VAL A 114 11.734 -0.451 -24.789 1.00 13.31 H new ATOM 0 HG11 VAL A 114 13.785 -0.763 -26.110 1.00 74.25 H new ATOM 0 HG12 VAL A 114 13.374 0.959 -25.925 1.00 74.25 H new ATOM 0 HG13 VAL A 114 14.682 0.246 -24.951 1.00 74.25 H new ATOM 0 HG21 VAL A 114 13.190 -2.386 -24.344 1.00 72.14 H new ATOM 0 HG22 VAL A 114 14.061 -1.442 -23.112 1.00 72.14 H new ATOM 0 HG23 VAL A 114 12.344 -1.845 -22.875 1.00 72.14 H new ATOM 1811 N ASP A 115 10.956 2.303 -24.378 1.00 75.34 N ATOM 1812 CA ASP A 115 10.496 3.488 -25.092 1.00 52.42 C ATOM 1813 C ASP A 115 10.537 4.717 -24.188 1.00 73.34 C ATOM 1814 O ASP A 115 10.371 5.846 -24.649 1.00 54.15 O ATOM 1815 CB ASP A 115 9.076 3.274 -25.619 1.00 11.33 C ATOM 1816 CG ASP A 115 8.509 4.516 -26.278 1.00 4.52 C ATOM 1817 OD1 ASP A 115 9.278 5.232 -26.954 1.00 74.41 O ATOM 1818 OD2 ASP A 115 7.298 4.774 -26.117 1.00 12.14 O ATOM 0 H ASP A 115 10.222 1.628 -24.164 1.00 75.34 H new ATOM 0 HA ASP A 115 11.166 3.657 -25.935 1.00 52.42 H new ATOM 0 HB2 ASP A 115 9.078 2.454 -26.337 1.00 11.33 H new ATOM 0 HB3 ASP A 115 8.427 2.975 -24.796 1.00 11.33 H new ATOM 1823 N LYS A 116 10.758 4.488 -22.898 1.00 52.43 N ATOM 1824 CA LYS A 116 10.821 5.575 -21.928 1.00 51.33 C ATOM 1825 C LYS A 116 12.262 6.022 -21.705 1.00 21.03 C ATOM 1826 O LYS A 116 12.594 7.194 -21.884 1.00 2.21 O ATOM 1827 CB LYS A 116 10.199 5.138 -20.600 1.00 64.41 C ATOM 1828 CG LYS A 116 8.738 5.525 -20.456 1.00 32.34 C ATOM 1829 CD LYS A 116 7.881 4.878 -21.531 1.00 32.12 C ATOM 1830 CE LYS A 116 6.528 4.449 -20.983 1.00 4.14 C ATOM 1831 NZ LYS A 116 5.703 3.765 -22.016 1.00 32.53 N ATOM 0 H LYS A 116 10.897 3.559 -22.500 1.00 52.43 H new ATOM 0 HA LYS A 116 10.256 6.418 -22.326 1.00 51.33 H new ATOM 0 HB2 LYS A 116 10.291 4.056 -20.504 1.00 64.41 H new ATOM 0 HB3 LYS A 116 10.766 5.580 -19.780 1.00 64.41 H new ATOM 0 HG2 LYS A 116 8.377 5.226 -19.472 1.00 32.34 H new ATOM 0 HG3 LYS A 116 8.640 6.609 -20.515 1.00 32.34 H new ATOM 0 HD2 LYS A 116 7.736 5.579 -22.353 1.00 32.12 H new ATOM 0 HD3 LYS A 116 8.401 4.011 -21.939 1.00 32.12 H new ATOM 0 HE2 LYS A 116 6.675 3.781 -20.135 1.00 4.14 H new ATOM 0 HE3 LYS A 116 5.993 5.323 -20.611 1.00 4.14 H new ATOM 0 HZ1 LYS A 116 4.759 3.564 -21.629 1.00 32.53 H new ATOM 0 HZ2 LYS A 116 5.612 4.379 -22.850 1.00 32.53 H new ATOM 0 HZ3 LYS A 116 6.161 2.873 -22.291 1.00 32.53 H new ATOM 1845 N HIS A 117 13.115 5.080 -21.314 1.00 11.35 N ATOM 1846 CA HIS A 117 14.522 5.377 -21.068 1.00 14.24 C ATOM 1847 C HIS A 117 15.422 4.483 -21.915 1.00 53.44 C ATOM 1848 O HIS A 117 16.558 4.842 -22.222 1.00 31.00 O ATOM 1849 CB HIS A 117 14.852 5.195 -19.586 1.00 32.41 C ATOM 1850 CG HIS A 117 13.890 5.884 -18.668 1.00 53.45 C ATOM 1851 ND1 HIS A 117 13.971 7.227 -18.365 1.00 35.15 N ATOM 1852 CD2 HIS A 117 12.820 5.410 -17.988 1.00 71.13 C ATOM 1853 CE1 HIS A 117 12.993 7.548 -17.536 1.00 2.12 C ATOM 1854 NE2 HIS A 117 12.280 6.463 -17.292 1.00 42.30 N ATOM 0 H HIS A 117 12.857 4.105 -21.161 1.00 11.35 H new ATOM 0 HA HIS A 117 14.703 6.415 -21.348 1.00 14.24 H new ATOM 0 HB2 HIS A 117 14.864 4.130 -19.353 1.00 32.41 H new ATOM 0 HB3 HIS A 117 15.856 5.574 -19.397 1.00 32.41 H new ATOM 0 HD2 HIS A 117 12.458 4.392 -17.992 1.00 71.13 H new ATOM 0 HE1 HIS A 117 12.808 8.530 -17.127 1.00 2.12 H new ATOM 0 HE2 HIS A 117 11.461 6.415 -16.685 1.00 42.30 H new ATOM 1862 N GLY A 118 14.905 3.317 -22.291 1.00 25.14 N ATOM 1863 CA GLY A 118 15.676 2.390 -23.098 1.00 64.04 C ATOM 1864 C GLY A 118 16.291 1.276 -22.275 1.00 22.22 C ATOM 1865 O GLY A 118 17.414 0.846 -22.540 1.00 4.41 O ATOM 0 H GLY A 118 13.966 2.998 -22.051 1.00 25.14 H new ATOM 0 HA2 GLY A 118 15.032 1.958 -23.864 1.00 64.04 H new ATOM 0 HA3 GLY A 118 16.466 2.934 -23.615 1.00 64.04 H new ATOM 1869 N ILE A 119 15.555 0.808 -21.273 1.00 20.25 N ATOM 1870 CA ILE A 119 16.035 -0.263 -20.408 1.00 3.45 C ATOM 1871 C ILE A 119 16.525 -1.453 -21.226 1.00 12.34 C ATOM 1872 O ILE A 119 15.740 -2.122 -21.898 1.00 4.35 O ATOM 1873 CB ILE A 119 14.938 -0.738 -19.437 1.00 53.42 C ATOM 1874 CG1 ILE A 119 14.453 0.427 -18.571 1.00 50.14 C ATOM 1875 CG2 ILE A 119 15.456 -1.872 -18.566 1.00 74.53 C ATOM 1876 CD1 ILE A 119 15.540 1.035 -17.713 1.00 41.54 C ATOM 0 H ILE A 119 14.624 1.153 -21.040 1.00 20.25 H new ATOM 0 HA ILE A 119 16.866 0.145 -19.832 1.00 3.45 H new ATOM 0 HB ILE A 119 14.095 -1.109 -20.019 1.00 53.42 H new ATOM 0 HG12 ILE A 119 14.036 1.200 -19.216 1.00 50.14 H new ATOM 0 HG13 ILE A 119 13.645 0.079 -17.927 1.00 50.14 H new ATOM 0 HG21 ILE A 119 14.669 -2.197 -17.885 1.00 74.53 H new ATOM 0 HG22 ILE A 119 15.757 -2.708 -19.198 1.00 74.53 H new ATOM 0 HG23 ILE A 119 16.314 -1.526 -17.990 1.00 74.53 H new ATOM 0 HD11 ILE A 119 15.125 1.854 -17.126 1.00 41.54 H new ATOM 0 HD12 ILE A 119 15.942 0.276 -17.042 1.00 41.54 H new ATOM 0 HD13 ILE A 119 16.338 1.414 -18.351 1.00 41.54 H new ATOM 1888 N ALA A 120 17.827 -1.712 -21.162 1.00 52.13 N ATOM 1889 CA ALA A 120 18.421 -2.824 -21.894 1.00 52.20 C ATOM 1890 C ALA A 120 18.046 -2.771 -23.371 1.00 64.33 C ATOM 1891 O ALA A 120 17.078 -3.401 -23.799 1.00 21.21 O ATOM 1892 CB ALA A 120 17.987 -4.149 -21.284 1.00 51.43 C ATOM 0 H ALA A 120 18.490 -1.167 -20.611 1.00 52.13 H new ATOM 0 HA ALA A 120 19.505 -2.740 -21.818 1.00 52.20 H new ATOM 0 HB1 ALA A 120 18.438 -4.971 -21.840 1.00 51.43 H new ATOM 0 HB2 ALA A 120 18.311 -4.194 -20.244 1.00 51.43 H new ATOM 0 HB3 ALA A 120 16.901 -4.232 -21.330 1.00 51.43 H new