USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ 179:sc= 1 (180deg=1) USER MOD Set 1.2: A 73 THR OG1 : rot 69:sc= 1.74 USER MOD Single : A 0 GLY N :NH3+ -129:sc= 0.0627 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= 1.21 (180deg=1.15) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 138:sc= -0.0203 (180deg=-1.36) USER MOD Single : A 26 GLN : amide:sc= 1.38 K(o=1.4,f=-6.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 1.03 (180deg=0.996) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -16:sc= -1.06 USER MOD Single : A 42 SER OG : rot -24:sc= 0.69 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.48 X(o=-0.48,f=-0.012) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.71 K(o=1.7,f=-5.7!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0991 X(o=-0.099,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.271 X(o=0.27,f=-0.13) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.53 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.905 K(o=0.91,f=-0.41) USER MOD Single : A 67 ASN : amide:sc= 0.902 K(o=0.9,f=0) USER MOD Single : A 71 ASN : amide:sc= 0.00823 K(o=0.0082,f=-0.8) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0399 K(o=-0.04,f=-1) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 93 GLN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 94 SER OG : rot 19:sc= 0.703 USER MOD Single : A 95 SER OG : rot 180:sc= 0.132 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -176:sc= 0 (180deg=-0.0198) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -132:sc= 0.201 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 19.339 -9.276 -33.160 1.00 0.00 N ATOM 2 CA GLY A 0 19.651 -9.047 -31.731 1.00 0.00 C ATOM 3 C GLY A 0 18.763 -9.881 -30.816 1.00 0.00 C ATOM 4 O GLY A 0 18.205 -10.896 -31.239 1.00 0.00 O ATOM 0 H1 GLY A 0 20.215 -9.493 -33.676 1.00 0.00 H new ATOM 0 H2 GLY A 0 18.679 -10.075 -33.247 1.00 0.00 H new ATOM 0 H3 GLY A 0 18.904 -8.421 -33.562 1.00 0.00 H new ATOM 0 HA2 GLY A 0 20.697 -9.291 -31.544 1.00 0.00 H new ATOM 0 HA3 GLY A 0 19.524 -7.990 -31.496 1.00 0.00 H new ATOM 10 N MET A 1 18.627 -9.461 -29.554 1.00 0.00 N ATOM 11 CA MET A 1 17.805 -10.112 -28.515 1.00 0.00 C ATOM 12 C MET A 1 17.074 -9.073 -27.635 1.00 0.00 C ATOM 13 O MET A 1 17.600 -7.970 -27.440 1.00 0.00 O ATOM 14 CB MET A 1 18.678 -11.024 -27.631 1.00 0.00 C ATOM 15 CG MET A 1 19.238 -12.237 -28.383 1.00 0.00 C ATOM 16 SD MET A 1 20.137 -13.406 -27.325 1.00 0.00 S ATOM 17 CE MET A 1 20.571 -14.656 -28.565 1.00 0.00 C ATOM 0 H MET A 1 19.102 -8.627 -29.210 1.00 0.00 H new ATOM 0 HA MET A 1 17.053 -10.715 -29.023 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.506 -10.442 -27.226 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.087 -11.371 -26.783 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.416 -12.761 -28.871 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.905 -11.888 -29.171 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.133 -15.460 -28.090 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.661 -15.062 -29.007 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.180 -14.199 -29.345 1.00 0.00 H new ATOM 27 N PRO A 2 15.881 -9.392 -27.089 1.00 0.00 N ATOM 28 CA PRO A 2 15.133 -8.495 -26.202 1.00 0.00 C ATOM 29 C PRO A 2 15.812 -8.301 -24.826 1.00 0.00 C ATOM 30 O PRO A 2 16.608 -9.151 -24.404 1.00 0.00 O ATOM 31 CB PRO A 2 13.747 -9.139 -26.059 1.00 0.00 C ATOM 32 CG PRO A 2 14.036 -10.630 -26.221 1.00 0.00 C ATOM 33 CD PRO A 2 15.152 -10.643 -27.264 1.00 0.00 C ATOM 0 HA PRO A 2 15.082 -7.490 -26.621 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.299 -8.919 -25.090 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.055 -8.778 -26.820 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.353 -11.086 -25.283 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.157 -11.178 -26.561 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.809 -11.501 -27.121 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.743 -10.719 -28.272 1.00 0.00 H new ATOM 41 N PRO A 3 15.490 -7.215 -24.093 1.00 0.00 N ATOM 42 CA PRO A 3 15.947 -7.003 -22.715 1.00 0.00 C ATOM 43 C PRO A 3 15.345 -8.035 -21.731 1.00 0.00 C ATOM 44 O PRO A 3 14.320 -8.654 -22.040 1.00 0.00 O ATOM 45 CB PRO A 3 15.513 -5.571 -22.369 1.00 0.00 C ATOM 46 CG PRO A 3 14.261 -5.369 -23.219 1.00 0.00 C ATOM 47 CD PRO A 3 14.595 -6.136 -24.497 1.00 0.00 C ATOM 0 HA PRO A 3 17.025 -7.136 -22.629 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.300 -5.461 -21.306 1.00 0.00 H new ATOM 0 HB3 PRO A 3 16.288 -4.845 -22.615 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.371 -5.765 -22.730 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.072 -4.314 -23.418 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.692 -6.531 -24.963 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.073 -5.485 -25.229 1.00 0.00 H new ATOM 55 N PRO A 4 15.930 -8.210 -20.526 1.00 0.00 N ATOM 56 CA PRO A 4 15.454 -9.133 -19.484 1.00 0.00 C ATOM 57 C PRO A 4 14.210 -8.599 -18.727 1.00 0.00 C ATOM 58 O PRO A 4 14.194 -8.523 -17.495 1.00 0.00 O ATOM 59 CB PRO A 4 16.684 -9.363 -18.593 1.00 0.00 C ATOM 60 CG PRO A 4 17.388 -8.009 -18.641 1.00 0.00 C ATOM 61 CD PRO A 4 17.169 -7.574 -20.089 1.00 0.00 C ATOM 0 HA PRO A 4 15.086 -10.073 -19.895 1.00 0.00 H new ATOM 0 HB2 PRO A 4 16.402 -9.638 -17.576 1.00 0.00 H new ATOM 0 HB3 PRO A 4 17.318 -10.163 -18.975 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.955 -7.301 -17.935 1.00 0.00 H new ATOM 0 HG3 PRO A 4 18.447 -8.093 -18.398 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.096 -6.489 -20.162 1.00 0.00 H new ATOM 0 HD3 PRO A 4 18.005 -7.880 -20.717 1.00 0.00 H new ATOM 69 N ALA A 5 13.167 -8.228 -19.481 1.00 0.00 N ATOM 70 CA ALA A 5 11.941 -7.538 -19.054 1.00 0.00 C ATOM 71 C ALA A 5 12.161 -6.141 -18.421 1.00 0.00 C ATOM 72 O ALA A 5 13.273 -5.740 -18.073 1.00 0.00 O ATOM 73 CB ALA A 5 11.087 -8.479 -18.188 1.00 0.00 C ATOM 0 H ALA A 5 13.157 -8.417 -20.483 1.00 0.00 H new ATOM 0 HA ALA A 5 11.382 -7.299 -19.959 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.180 -7.962 -17.875 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.819 -9.363 -18.767 1.00 0.00 H new ATOM 0 HB3 ALA A 5 11.656 -8.780 -17.308 1.00 0.00 H new ATOM 79 N ASP A 6 11.073 -5.378 -18.276 1.00 0.00 N ATOM 80 CA ASP A 6 11.052 -4.027 -17.685 1.00 0.00 C ATOM 81 C ASP A 6 11.051 -4.067 -16.139 1.00 0.00 C ATOM 82 O ASP A 6 10.209 -3.454 -15.480 1.00 0.00 O ATOM 83 CB ASP A 6 9.872 -3.218 -18.265 1.00 0.00 C ATOM 84 CG ASP A 6 9.891 -3.056 -19.797 1.00 0.00 C ATOM 85 OD1 ASP A 6 8.802 -2.845 -20.383 1.00 0.00 O ATOM 86 OD2 ASP A 6 10.978 -3.094 -20.424 1.00 0.00 O ATOM 0 H ASP A 6 10.149 -5.690 -18.575 1.00 0.00 H new ATOM 0 HA ASP A 6 11.974 -3.514 -17.959 1.00 0.00 H new ATOM 0 HB2 ASP A 6 8.940 -3.704 -17.977 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.870 -2.228 -17.809 1.00 0.00 H new ATOM 91 N ILE A 7 11.969 -4.841 -15.547 1.00 0.00 N ATOM 92 CA ILE A 7 12.003 -5.169 -14.112 1.00 0.00 C ATOM 93 C ILE A 7 13.369 -4.810 -13.509 1.00 0.00 C ATOM 94 O ILE A 7 14.416 -5.122 -14.083 1.00 0.00 O ATOM 95 CB ILE A 7 11.631 -6.654 -13.871 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.299 -7.031 -14.568 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.567 -6.956 -12.361 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.854 -8.488 -14.384 1.00 0.00 C ATOM 0 H ILE A 7 12.733 -5.271 -16.068 1.00 0.00 H new ATOM 0 HA ILE A 7 11.252 -4.567 -13.601 1.00 0.00 H new ATOM 0 HB ILE A 7 12.414 -7.269 -14.315 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.513 -6.377 -14.191 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.396 -6.830 -15.635 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.305 -8.003 -12.210 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.538 -6.757 -11.909 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.813 -6.322 -11.895 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.913 -8.650 -14.909 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.615 -9.155 -14.789 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.718 -8.696 -13.323 1.00 0.00 H new ATOM 110 N VAL A 8 13.357 -4.179 -12.331 1.00 0.00 N ATOM 111 CA VAL A 8 14.545 -3.714 -11.596 1.00 0.00 C ATOM 112 C VAL A 8 14.524 -4.181 -10.137 1.00 0.00 C ATOM 113 O VAL A 8 13.556 -3.958 -9.410 1.00 0.00 O ATOM 114 CB VAL A 8 14.715 -2.181 -11.696 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.221 -1.785 -13.086 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.444 -1.371 -11.404 1.00 0.00 C ATOM 0 H VAL A 8 12.487 -3.968 -11.841 1.00 0.00 H new ATOM 0 HA VAL A 8 15.414 -4.168 -12.071 1.00 0.00 H new ATOM 0 HB VAL A 8 15.439 -1.936 -10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.334 -0.702 -13.137 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.184 -2.260 -13.271 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.505 -2.111 -13.840 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.661 -0.307 -11.498 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.665 -1.647 -12.115 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.102 -1.583 -10.391 1.00 0.00 H new ATOM 126 N LYS A 9 15.602 -4.841 -9.694 1.00 0.00 N ATOM 127 CA LYS A 9 15.800 -5.248 -8.291 1.00 0.00 C ATOM 128 C LYS A 9 16.156 -4.040 -7.418 1.00 0.00 C ATOM 129 O LYS A 9 16.948 -3.199 -7.843 1.00 0.00 O ATOM 130 CB LYS A 9 16.870 -6.353 -8.216 1.00 0.00 C ATOM 131 CG LYS A 9 16.848 -7.087 -6.866 1.00 0.00 C ATOM 132 CD LYS A 9 17.925 -8.180 -6.805 1.00 0.00 C ATOM 133 CE LYS A 9 17.791 -9.031 -5.533 1.00 0.00 C ATOM 134 NZ LYS A 9 16.742 -10.078 -5.664 1.00 0.00 N ATOM 0 H LYS A 9 16.372 -5.112 -10.305 1.00 0.00 H new ATOM 0 HA LYS A 9 14.868 -5.656 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.707 -7.070 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.855 -5.914 -8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.007 -6.372 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.866 -7.533 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.845 -8.821 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.913 -7.721 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.748 -9.504 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.553 -8.384 -4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.471 -10.418 -4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.909 -9.677 -6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.112 -10.872 -6.225 1.00 0.00 H new ATOM 148 N VAL A 10 15.620 -3.971 -6.202 1.00 0.00 N ATOM 149 CA VAL A 10 15.851 -2.883 -5.233 1.00 0.00 C ATOM 150 C VAL A 10 16.050 -3.419 -3.811 1.00 0.00 C ATOM 151 O VAL A 10 15.552 -4.492 -3.463 1.00 0.00 O ATOM 152 CB VAL A 10 14.723 -1.825 -5.263 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.582 -1.182 -6.645 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.352 -2.372 -4.841 1.00 0.00 C ATOM 0 H VAL A 10 14.991 -4.690 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 10 16.774 -2.391 -5.540 1.00 0.00 H new ATOM 0 HB VAL A 10 15.031 -1.079 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.779 -0.445 -6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.517 -0.692 -6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.349 -1.951 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.612 -1.573 -4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.059 -3.178 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.411 -2.754 -3.822 1.00 0.00 H new ATOM 164 N ALA A 11 16.761 -2.651 -2.982 1.00 0.00 N ATOM 165 CA ALA A 11 16.920 -2.890 -1.546 1.00 0.00 C ATOM 166 C ALA A 11 16.258 -1.750 -0.757 1.00 0.00 C ATOM 167 O ALA A 11 16.627 -0.590 -0.931 1.00 0.00 O ATOM 168 CB ALA A 11 18.415 -3.019 -1.226 1.00 0.00 C ATOM 0 H ALA A 11 17.257 -1.819 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 11 16.428 -3.818 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.545 -3.197 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.837 -3.853 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.928 -2.098 -1.505 1.00 0.00 H new ATOM 174 N ILE A 12 15.268 -2.061 0.083 1.00 0.00 N ATOM 175 CA ILE A 12 14.411 -1.063 0.740 1.00 0.00 C ATOM 176 C ILE A 12 14.711 -1.007 2.237 1.00 0.00 C ATOM 177 O ILE A 12 14.620 -2.016 2.933 1.00 0.00 O ATOM 178 CB ILE A 12 12.917 -1.340 0.470 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.652 -1.482 -1.048 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.043 -0.220 1.079 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.253 -1.997 -1.359 1.00 0.00 C ATOM 0 H ILE A 12 15.034 -3.022 0.331 1.00 0.00 H new ATOM 0 HA ILE A 12 14.636 -0.085 0.314 1.00 0.00 H new ATOM 0 HB ILE A 12 12.649 -2.282 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.793 -0.514 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.388 -2.161 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.992 -0.430 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.207 -0.176 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.313 0.736 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.126 -2.076 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.117 -2.979 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.513 -1.306 -0.956 1.00 0.00 H new ATOM 193 N GLU A 13 15.049 0.173 2.739 1.00 0.00 N ATOM 194 CA GLU A 13 15.303 0.439 4.159 1.00 0.00 C ATOM 195 C GLU A 13 14.034 0.828 4.941 1.00 0.00 C ATOM 196 O GLU A 13 13.097 1.418 4.396 1.00 0.00 O ATOM 197 CB GLU A 13 16.370 1.536 4.308 1.00 0.00 C ATOM 198 CG GLU A 13 17.721 1.144 3.687 1.00 0.00 C ATOM 199 CD GLU A 13 18.867 2.091 4.106 1.00 0.00 C ATOM 200 OE1 GLU A 13 20.023 1.618 4.226 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.634 3.307 4.316 1.00 0.00 O ATOM 0 H GLU A 13 15.159 1.002 2.155 1.00 0.00 H new ATOM 0 HA GLU A 13 15.663 -0.494 4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.011 2.451 3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.512 1.756 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.970 0.125 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.631 1.147 2.601 1.00 0.00 H new ATOM 208 N TRP A 14 14.046 0.551 6.248 1.00 0.00 N ATOM 209 CA TRP A 14 13.066 1.012 7.240 1.00 0.00 C ATOM 210 C TRP A 14 13.727 1.066 8.639 1.00 0.00 C ATOM 211 O TRP A 14 14.549 0.191 8.934 1.00 0.00 O ATOM 212 CB TRP A 14 11.840 0.088 7.236 1.00 0.00 C ATOM 213 CG TRP A 14 10.793 0.422 8.253 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.590 -0.237 9.415 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.852 1.540 8.263 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.587 0.383 10.137 1.00 0.00 N ATOM 217 CE2 TRP A 14 9.108 1.498 9.481 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.598 2.623 7.393 1.00 0.00 C ATOM 219 CZ2 TRP A 14 8.144 2.464 9.807 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.641 3.604 7.715 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.909 3.523 8.915 1.00 0.00 C ATOM 0 H TRP A 14 14.774 -0.029 6.665 1.00 0.00 H new ATOM 0 HA TRP A 14 12.729 2.016 6.983 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.385 0.117 6.246 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.175 -0.936 7.404 1.00 0.00 H new ATOM 0 HD1 TRP A 14 11.130 -1.117 9.732 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.244 0.057 11.041 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.147 2.700 6.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.590 2.394 10.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.467 4.426 7.036 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.168 4.274 9.149 1.00 0.00 H new ATOM 232 N PRO A 15 13.428 2.053 9.513 1.00 0.00 N ATOM 233 CA PRO A 15 14.107 2.194 10.805 1.00 0.00 C ATOM 234 C PRO A 15 13.937 0.969 11.718 1.00 0.00 C ATOM 235 O PRO A 15 12.835 0.441 11.884 1.00 0.00 O ATOM 236 CB PRO A 15 13.548 3.473 11.441 1.00 0.00 C ATOM 237 CG PRO A 15 13.110 4.293 10.229 1.00 0.00 C ATOM 238 CD PRO A 15 12.572 3.212 9.298 1.00 0.00 C ATOM 0 HA PRO A 15 15.185 2.262 10.659 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.713 3.261 12.108 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.302 3.994 12.030 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.347 5.027 10.487 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.941 4.840 9.783 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.532 2.980 9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.605 3.537 8.258 1.00 0.00 H new ATOM 246 N GLY A 16 15.040 0.516 12.320 1.00 0.00 N ATOM 247 CA GLY A 16 15.073 -0.657 13.206 1.00 0.00 C ATOM 248 C GLY A 16 14.936 -2.020 12.503 1.00 0.00 C ATOM 249 O GLY A 16 14.752 -3.030 13.188 1.00 0.00 O ATOM 0 H GLY A 16 15.951 0.959 12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 16 16.011 -0.646 13.760 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.270 -0.562 13.937 1.00 0.00 H new ATOM 253 N ALA A 17 15.024 -2.073 11.168 1.00 0.00 N ATOM 254 CA ALA A 17 14.902 -3.292 10.361 1.00 0.00 C ATOM 255 C ALA A 17 16.033 -3.438 9.325 1.00 0.00 C ATOM 256 O ALA A 17 16.582 -2.450 8.826 1.00 0.00 O ATOM 257 CB ALA A 17 13.520 -3.304 9.690 1.00 0.00 C ATOM 0 H ALA A 17 15.188 -1.240 10.602 1.00 0.00 H new ATOM 0 HA ALA A 17 14.999 -4.153 11.022 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.416 -4.206 9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.744 -3.288 10.455 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.418 -2.426 9.052 1.00 0.00 H new ATOM 263 N TYR A 18 16.366 -4.685 8.974 1.00 0.00 N ATOM 264 CA TYR A 18 17.293 -5.004 7.879 1.00 0.00 C ATOM 265 C TYR A 18 16.668 -4.686 6.501 1.00 0.00 C ATOM 266 O TYR A 18 15.443 -4.792 6.360 1.00 0.00 O ATOM 267 CB TYR A 18 17.707 -6.480 7.960 1.00 0.00 C ATOM 268 CG TYR A 18 18.378 -6.870 9.265 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.673 -7.614 10.234 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.708 -6.478 9.514 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.295 -7.962 11.449 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.333 -6.823 10.728 1.00 0.00 C ATOM 273 CZ TYR A 18 19.628 -7.567 11.700 1.00 0.00 C ATOM 274 OH TYR A 18 20.240 -7.897 12.871 1.00 0.00 O ATOM 0 H TYR A 18 15.997 -5.510 9.446 1.00 0.00 H new ATOM 0 HA TYR A 18 18.180 -4.380 7.987 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.823 -7.102 7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.386 -6.701 7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.654 -7.918 10.044 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.250 -5.911 8.772 1.00 0.00 H new ATOM 0 HE1 TYR A 18 17.752 -8.531 12.189 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.352 -6.519 10.916 1.00 0.00 H new ATOM 0 HH TYR A 18 21.155 -7.545 12.873 1.00 0.00 H new ATOM 284 N PRO A 19 17.463 -4.328 5.469 1.00 0.00 N ATOM 285 CA PRO A 19 16.929 -3.979 4.151 1.00 0.00 C ATOM 286 C PRO A 19 16.155 -5.128 3.482 1.00 0.00 C ATOM 287 O PRO A 19 16.654 -6.253 3.375 1.00 0.00 O ATOM 288 CB PRO A 19 18.126 -3.530 3.303 1.00 0.00 C ATOM 289 CG PRO A 19 19.142 -3.076 4.349 1.00 0.00 C ATOM 290 CD PRO A 19 18.891 -4.040 5.508 1.00 0.00 C ATOM 0 HA PRO A 19 16.191 -3.183 4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.514 -4.344 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.858 -2.721 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.164 -3.148 3.978 1.00 0.00 H new ATOM 0 HG3 PRO A 19 18.982 -2.039 4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.479 -4.951 5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.176 -3.592 6.460 1.00 0.00 H new ATOM 298 N LYS A 20 14.942 -4.837 2.999 1.00 0.00 N ATOM 299 CA LYS A 20 14.091 -5.762 2.237 1.00 0.00 C ATOM 300 C LYS A 20 14.493 -5.752 0.760 1.00 0.00 C ATOM 301 O LYS A 20 14.281 -4.758 0.065 1.00 0.00 O ATOM 302 CB LYS A 20 12.615 -5.384 2.464 1.00 0.00 C ATOM 303 CG LYS A 20 11.632 -6.244 1.653 1.00 0.00 C ATOM 304 CD LYS A 20 10.183 -6.002 2.108 1.00 0.00 C ATOM 305 CE LYS A 20 9.145 -6.733 1.238 1.00 0.00 C ATOM 306 NZ LYS A 20 9.281 -8.215 1.293 1.00 0.00 N ATOM 0 H LYS A 20 14.510 -3.922 3.131 1.00 0.00 H new ATOM 0 HA LYS A 20 14.226 -6.786 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.382 -5.481 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.472 -4.336 2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.728 -6.010 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.883 -7.298 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.075 -6.328 3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.976 -4.932 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.143 -6.453 1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.247 -6.402 0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.557 -8.653 0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.226 -8.490 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.156 -8.539 2.273 1.00 0.00 H new ATOM 320 N LEU A 21 15.067 -6.854 0.278 1.00 0.00 N ATOM 321 CA LEU A 21 15.313 -7.085 -1.149 1.00 0.00 C ATOM 322 C LEU A 21 14.005 -7.472 -1.858 1.00 0.00 C ATOM 323 O LEU A 21 13.271 -8.340 -1.378 1.00 0.00 O ATOM 324 CB LEU A 21 16.382 -8.181 -1.331 1.00 0.00 C ATOM 325 CG LEU A 21 17.798 -7.763 -0.891 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.705 -8.991 -0.807 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.429 -6.781 -1.880 1.00 0.00 C ATOM 0 H LEU A 21 15.379 -7.622 0.873 1.00 0.00 H new ATOM 0 HA LEU A 21 15.685 -6.165 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.083 -9.062 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.411 -8.473 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 21 17.702 -7.283 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.704 -8.685 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.298 -9.695 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.761 -9.470 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.427 -6.509 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.498 -7.248 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.812 -5.885 -1.947 1.00 0.00 H new ATOM 339 N MET A 22 13.718 -6.842 -2.999 1.00 0.00 N ATOM 340 CA MET A 22 12.538 -7.125 -3.831 1.00 0.00 C ATOM 341 C MET A 22 12.752 -6.684 -5.291 1.00 0.00 C ATOM 342 O MET A 22 13.782 -6.099 -5.627 1.00 0.00 O ATOM 343 CB MET A 22 11.301 -6.445 -3.211 1.00 0.00 C ATOM 344 CG MET A 22 11.270 -4.925 -3.398 1.00 0.00 C ATOM 345 SD MET A 22 9.832 -4.266 -4.288 1.00 0.00 S ATOM 346 CE MET A 22 8.515 -4.813 -3.170 1.00 0.00 C ATOM 0 H MET A 22 14.310 -6.105 -3.382 1.00 0.00 H new ATOM 0 HA MET A 22 12.376 -8.203 -3.854 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.402 -6.874 -3.654 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.270 -6.671 -2.145 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.311 -4.456 -2.415 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.172 -4.625 -3.932 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.782 -4.015 -3.053 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.027 -5.695 -3.586 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.942 -5.059 -2.198 1.00 0.00 H new ATOM 356 N GLU A 23 11.768 -6.921 -6.162 1.00 0.00 N ATOM 357 CA GLU A 23 11.784 -6.503 -7.564 1.00 0.00 C ATOM 358 C GLU A 23 10.589 -5.610 -7.915 1.00 0.00 C ATOM 359 O GLU A 23 9.433 -5.944 -7.643 1.00 0.00 O ATOM 360 CB GLU A 23 11.828 -7.723 -8.488 1.00 0.00 C ATOM 361 CG GLU A 23 13.127 -8.529 -8.354 1.00 0.00 C ATOM 362 CD GLU A 23 13.127 -9.539 -7.188 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.146 -9.614 -6.461 1.00 0.00 O ATOM 364 OE2 GLU A 23 12.136 -10.290 -7.009 1.00 0.00 O ATOM 0 H GLU A 23 10.917 -7.421 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 23 12.687 -5.911 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.980 -8.371 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.716 -7.394 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.306 -9.066 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.959 -7.837 -8.221 1.00 0.00 H new ATOM 371 N ILE A 24 10.884 -4.486 -8.570 1.00 0.00 N ATOM 372 CA ILE A 24 9.913 -3.527 -9.098 1.00 0.00 C ATOM 373 C ILE A 24 9.745 -3.769 -10.601 1.00 0.00 C ATOM 374 O ILE A 24 10.648 -3.507 -11.397 1.00 0.00 O ATOM 375 CB ILE A 24 10.345 -2.082 -8.743 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.153 -1.883 -7.220 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.576 -1.027 -9.566 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.522 -0.495 -6.681 1.00 0.00 C ATOM 0 H ILE A 24 11.848 -4.207 -8.755 1.00 0.00 H new ATOM 0 HA ILE A 24 8.935 -3.667 -8.638 1.00 0.00 H new ATOM 0 HB ILE A 24 11.395 -1.942 -9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.110 -2.083 -6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.752 -2.628 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.912 -0.029 -9.283 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.764 -1.186 -10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.508 -1.120 -9.369 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.350 -0.465 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.573 -0.293 -6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.906 0.260 -7.168 1.00 0.00 H new ATOM 390 N ASP A 25 8.582 -4.286 -10.989 1.00 0.00 N ATOM 391 CA ASP A 25 8.147 -4.358 -12.385 1.00 0.00 C ATOM 392 C ASP A 25 7.578 -2.991 -12.785 1.00 0.00 C ATOM 393 O ASP A 25 6.585 -2.539 -12.212 1.00 0.00 O ATOM 394 CB ASP A 25 7.113 -5.489 -12.535 1.00 0.00 C ATOM 395 CG ASP A 25 6.489 -5.621 -13.937 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.640 -6.524 -14.116 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.829 -4.833 -14.848 1.00 0.00 O ATOM 0 H ASP A 25 7.903 -4.673 -10.333 1.00 0.00 H new ATOM 0 HA ASP A 25 8.980 -4.588 -13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.591 -6.434 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.313 -5.328 -11.812 1.00 0.00 H new ATOM 402 N GLN A 26 8.184 -2.319 -13.762 1.00 0.00 N ATOM 403 CA GLN A 26 7.766 -0.978 -14.185 1.00 0.00 C ATOM 404 C GLN A 26 6.354 -0.940 -14.808 1.00 0.00 C ATOM 405 O GLN A 26 5.770 0.141 -14.920 1.00 0.00 O ATOM 406 CB GLN A 26 8.826 -0.352 -15.109 1.00 0.00 C ATOM 407 CG GLN A 26 10.229 -0.208 -14.481 1.00 0.00 C ATOM 408 CD GLN A 26 10.357 0.872 -13.400 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.411 1.284 -12.739 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.551 1.376 -13.174 1.00 0.00 N ATOM 0 H GLN A 26 8.979 -2.686 -14.285 1.00 0.00 H new ATOM 0 HA GLN A 26 7.692 -0.370 -13.284 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.907 -0.960 -16.010 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.480 0.634 -15.420 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.515 -1.167 -14.049 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.943 0.010 -15.275 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.353 1.048 -13.712 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.675 2.094 -12.461 1.00 0.00 H new ATOM 419 N LYS A 27 5.774 -2.097 -15.166 1.00 0.00 N ATOM 420 CA LYS A 27 4.380 -2.231 -15.628 1.00 0.00 C ATOM 421 C LYS A 27 3.354 -2.396 -14.491 1.00 0.00 C ATOM 422 O LYS A 27 2.178 -2.101 -14.714 1.00 0.00 O ATOM 423 CB LYS A 27 4.270 -3.410 -16.617 1.00 0.00 C ATOM 424 CG LYS A 27 5.238 -3.354 -17.817 1.00 0.00 C ATOM 425 CD LYS A 27 5.150 -2.083 -18.679 1.00 0.00 C ATOM 426 CE LYS A 27 3.757 -1.896 -19.296 1.00 0.00 C ATOM 427 NZ LYS A 27 3.710 -0.709 -20.191 1.00 0.00 N ATOM 0 H LYS A 27 6.272 -2.987 -15.142 1.00 0.00 H new ATOM 0 HA LYS A 27 4.130 -1.292 -16.122 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.445 -4.338 -16.072 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.249 -3.451 -16.996 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.258 -3.449 -17.444 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.050 -4.218 -18.454 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.394 -1.214 -18.068 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.894 -2.133 -19.474 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.485 -2.788 -19.860 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.019 -1.783 -18.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.755 -0.613 -20.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.945 0.146 -19.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.397 -0.828 -20.962 1.00 0.00 H new ATOM 441 N LYS A 28 3.755 -2.850 -13.290 1.00 0.00 N ATOM 442 CA LYS A 28 2.850 -3.020 -12.128 1.00 0.00 C ATOM 443 C LYS A 28 2.707 -1.715 -11.322 1.00 0.00 C ATOM 444 O LYS A 28 3.649 -0.916 -11.296 1.00 0.00 O ATOM 445 CB LYS A 28 3.244 -4.257 -11.286 1.00 0.00 C ATOM 446 CG LYS A 28 4.200 -3.997 -10.113 1.00 0.00 C ATOM 447 CD LYS A 28 4.511 -5.261 -9.296 1.00 0.00 C ATOM 448 CE LYS A 28 3.309 -5.710 -8.453 1.00 0.00 C ATOM 449 NZ LYS A 28 3.638 -6.893 -7.620 1.00 0.00 N ATOM 0 H LYS A 28 4.721 -3.112 -13.092 1.00 0.00 H new ATOM 0 HA LYS A 28 1.846 -3.231 -12.497 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.333 -4.709 -10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.704 -4.991 -11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.132 -3.582 -10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.763 -3.245 -9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.802 -6.066 -9.970 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.362 -5.070 -8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.988 -4.890 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.472 -5.948 -9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.767 -7.272 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.080 -7.624 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.298 -6.614 -6.866 1.00 0.00 H new ATOM 463 N PRO A 29 1.558 -1.461 -10.671 1.00 0.00 N ATOM 464 CA PRO A 29 1.296 -0.201 -9.977 1.00 0.00 C ATOM 465 C PRO A 29 2.105 -0.070 -8.683 1.00 0.00 C ATOM 466 O PRO A 29 2.285 -1.033 -7.933 1.00 0.00 O ATOM 467 CB PRO A 29 -0.214 -0.181 -9.717 1.00 0.00 C ATOM 468 CG PRO A 29 -0.599 -1.657 -9.669 1.00 0.00 C ATOM 469 CD PRO A 29 0.407 -2.349 -10.579 1.00 0.00 C ATOM 0 HA PRO A 29 1.607 0.652 -10.580 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.451 0.324 -8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.748 0.346 -10.508 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.547 -2.047 -8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.620 -1.811 -10.018 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.696 -3.318 -10.172 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.022 -2.532 -11.564 1.00 0.00 H new ATOM 477 N LEU A 30 2.540 1.157 -8.385 1.00 0.00 N ATOM 478 CA LEU A 30 3.269 1.479 -7.155 1.00 0.00 C ATOM 479 C LEU A 30 2.439 1.210 -5.896 1.00 0.00 C ATOM 480 O LEU A 30 2.999 0.780 -4.895 1.00 0.00 O ATOM 481 CB LEU A 30 3.754 2.938 -7.216 1.00 0.00 C ATOM 482 CG LEU A 30 4.981 3.112 -8.127 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.145 4.587 -8.470 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.274 2.623 -7.467 1.00 0.00 C ATOM 0 H LEU A 30 2.395 1.961 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 30 4.134 0.819 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.944 3.572 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.001 3.278 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 30 4.809 2.512 -9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.014 4.716 -9.116 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.253 4.942 -8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.286 5.160 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.110 2.768 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.452 3.188 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.182 1.564 -7.227 1.00 0.00 H new ATOM 496 N SER A 31 1.113 1.361 -5.946 1.00 0.00 N ATOM 497 CA SER A 31 0.215 1.011 -4.833 1.00 0.00 C ATOM 498 C SER A 31 0.317 -0.472 -4.446 1.00 0.00 C ATOM 499 O SER A 31 0.401 -0.792 -3.259 1.00 0.00 O ATOM 500 CB SER A 31 -1.237 1.341 -5.203 1.00 0.00 C ATOM 501 OG SER A 31 -1.360 2.687 -5.642 1.00 0.00 O ATOM 0 H SER A 31 0.626 1.731 -6.762 1.00 0.00 H new ATOM 0 HA SER A 31 0.527 1.603 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.578 0.666 -5.989 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.882 1.176 -4.340 1.00 0.00 H new ATOM 0 HG SER A 31 -2.294 2.872 -5.873 1.00 0.00 H new ATOM 507 N ALA A 32 0.381 -1.380 -5.432 1.00 0.00 N ATOM 508 CA ALA A 32 0.579 -2.812 -5.191 1.00 0.00 C ATOM 509 C ALA A 32 1.986 -3.113 -4.642 1.00 0.00 C ATOM 510 O ALA A 32 2.126 -3.889 -3.697 1.00 0.00 O ATOM 511 CB ALA A 32 0.307 -3.584 -6.489 1.00 0.00 C ATOM 0 H ALA A 32 0.296 -1.138 -6.419 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.125 -3.138 -4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.453 -4.650 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.719 -3.406 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.994 -3.245 -7.265 1.00 0.00 H new ATOM 517 N ILE A 33 3.021 -2.457 -5.182 1.00 0.00 N ATOM 518 CA ILE A 33 4.403 -2.578 -4.693 1.00 0.00 C ATOM 519 C ILE A 33 4.501 -2.116 -3.233 1.00 0.00 C ATOM 520 O ILE A 33 4.991 -2.858 -2.391 1.00 0.00 O ATOM 521 CB ILE A 33 5.374 -1.798 -5.610 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.402 -2.432 -7.020 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.802 -1.766 -5.030 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.940 -1.503 -8.114 1.00 0.00 C ATOM 0 H ILE A 33 2.924 -1.823 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 33 4.696 -3.627 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 33 5.011 -0.772 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.015 -3.333 -6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.392 -2.743 -7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.455 -1.209 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.787 -1.281 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.174 -2.785 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.927 -2.023 -9.072 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.314 -0.613 -8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.962 -1.212 -7.874 1.00 0.00 H new ATOM 536 N ILE A 34 3.991 -0.929 -2.893 1.00 0.00 N ATOM 537 CA ILE A 34 4.043 -0.371 -1.533 1.00 0.00 C ATOM 538 C ILE A 34 3.289 -1.275 -0.540 1.00 0.00 C ATOM 539 O ILE A 34 3.789 -1.515 0.562 1.00 0.00 O ATOM 540 CB ILE A 34 3.524 1.087 -1.543 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.491 2.008 -2.332 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.359 1.646 -0.120 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.821 3.288 -2.847 1.00 0.00 C ATOM 0 H ILE A 34 3.523 -0.318 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 34 5.077 -0.342 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 34 2.548 1.070 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.330 2.278 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.901 1.455 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.993 2.671 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.645 1.033 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.322 1.630 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.551 3.888 -3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.999 3.026 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.435 3.861 -2.004 1.00 0.00 H new ATOM 555 N LYS A 35 2.149 -1.858 -0.943 1.00 0.00 N ATOM 556 CA LYS A 35 1.429 -2.877 -0.158 1.00 0.00 C ATOM 557 C LYS A 35 2.272 -4.140 0.083 1.00 0.00 C ATOM 558 O LYS A 35 2.267 -4.682 1.186 1.00 0.00 O ATOM 559 CB LYS A 35 0.081 -3.189 -0.830 1.00 0.00 C ATOM 560 CG LYS A 35 -0.853 -3.983 0.095 1.00 0.00 C ATOM 561 CD LYS A 35 -2.206 -4.246 -0.578 1.00 0.00 C ATOM 562 CE LYS A 35 -3.139 -4.972 0.398 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.456 -5.276 -0.224 1.00 0.00 N ATOM 0 H LYS A 35 1.696 -1.635 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 35 1.233 -2.470 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.403 -2.257 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.254 -3.757 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.386 -4.931 0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.006 -3.431 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.655 -3.304 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.065 -4.847 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.670 -5.899 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.289 -4.356 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.060 -5.767 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.914 -4.390 -0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.315 -5.884 -1.056 1.00 0.00 H new ATOM 577 N GLU A 36 3.045 -4.581 -0.907 1.00 0.00 N ATOM 578 CA GLU A 36 3.973 -5.710 -0.793 1.00 0.00 C ATOM 579 C GLU A 36 5.224 -5.395 0.055 1.00 0.00 C ATOM 580 O GLU A 36 5.772 -6.299 0.691 1.00 0.00 O ATOM 581 CB GLU A 36 4.357 -6.148 -2.216 1.00 0.00 C ATOM 582 CG GLU A 36 3.233 -6.932 -2.916 1.00 0.00 C ATOM 583 CD GLU A 36 3.405 -7.013 -4.446 1.00 0.00 C ATOM 584 OE1 GLU A 36 2.419 -7.342 -5.151 1.00 0.00 O ATOM 585 OE2 GLU A 36 4.517 -6.785 -4.983 1.00 0.00 O ATOM 0 H GLU A 36 3.045 -4.155 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 36 3.472 -6.519 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.605 -5.268 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.254 -6.766 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.196 -7.942 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.276 -6.461 -2.690 1.00 0.00 H new ATOM 592 N VAL A 37 5.664 -4.130 0.124 1.00 0.00 N ATOM 593 CA VAL A 37 6.746 -3.681 1.024 1.00 0.00 C ATOM 594 C VAL A 37 6.290 -3.697 2.484 1.00 0.00 C ATOM 595 O VAL A 37 6.874 -4.406 3.304 1.00 0.00 O ATOM 596 CB VAL A 37 7.276 -2.276 0.668 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.398 -1.840 1.619 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.868 -2.220 -0.736 1.00 0.00 C ATOM 0 H VAL A 37 5.277 -3.379 -0.448 1.00 0.00 H new ATOM 0 HA VAL A 37 7.563 -4.390 0.888 1.00 0.00 H new ATOM 0 HB VAL A 37 6.410 -1.618 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.747 -0.846 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.020 -1.817 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.225 -2.547 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.227 -1.211 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.698 -2.922 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.102 -2.486 -1.465 1.00 0.00 H new ATOM 608 N CYS A 38 5.260 -2.910 2.811 1.00 0.00 N ATOM 609 CA CYS A 38 4.824 -2.675 4.194 1.00 0.00 C ATOM 610 C CYS A 38 4.367 -3.963 4.904 1.00 0.00 C ATOM 611 O CYS A 38 4.647 -4.132 6.092 1.00 0.00 O ATOM 612 CB CYS A 38 3.740 -1.587 4.202 1.00 0.00 C ATOM 613 SG CYS A 38 2.269 -2.113 3.296 1.00 0.00 S ATOM 0 H CYS A 38 4.700 -2.413 2.118 1.00 0.00 H new ATOM 0 HA CYS A 38 5.680 -2.326 4.771 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.469 -1.349 5.231 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.136 -0.674 3.757 1.00 0.00 H new ATOM 0 HG CYS A 38 2.562 -3.135 2.549 1.00 0.00 H new ATOM 619 N ASP A 39 3.765 -4.914 4.180 1.00 0.00 N ATOM 620 CA ASP A 39 3.390 -6.237 4.698 1.00 0.00 C ATOM 621 C ASP A 39 4.601 -7.048 5.207 1.00 0.00 C ATOM 622 O ASP A 39 4.484 -7.796 6.180 1.00 0.00 O ATOM 623 CB ASP A 39 2.665 -7.009 3.584 1.00 0.00 C ATOM 624 CG ASP A 39 2.084 -8.353 4.057 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.436 -8.400 5.130 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.239 -9.364 3.331 1.00 0.00 O ATOM 0 H ASP A 39 3.520 -4.784 3.199 1.00 0.00 H new ATOM 0 HA ASP A 39 2.737 -6.091 5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.859 -6.391 3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.360 -7.189 2.764 1.00 0.00 H new ATOM 631 N GLY A 40 5.786 -6.849 4.614 1.00 0.00 N ATOM 632 CA GLY A 40 7.046 -7.468 5.049 1.00 0.00 C ATOM 633 C GLY A 40 7.506 -7.035 6.450 1.00 0.00 C ATOM 634 O GLY A 40 8.220 -7.784 7.120 1.00 0.00 O ATOM 0 H GLY A 40 5.898 -6.241 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.930 -8.552 5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.827 -7.222 4.329 1.00 0.00 H new ATOM 638 N TRP A 41 7.051 -5.867 6.916 1.00 0.00 N ATOM 639 CA TRP A 41 7.259 -5.339 8.271 1.00 0.00 C ATOM 640 C TRP A 41 5.952 -5.208 9.083 1.00 0.00 C ATOM 641 O TRP A 41 5.942 -4.584 10.145 1.00 0.00 O ATOM 642 CB TRP A 41 8.036 -4.019 8.161 1.00 0.00 C ATOM 643 CG TRP A 41 9.400 -4.126 7.543 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.378 -4.977 7.935 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.962 -3.367 6.426 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.493 -4.808 7.138 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.299 -3.818 6.202 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.483 -2.344 5.580 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.120 -3.279 5.202 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.299 -1.798 4.570 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.609 -2.262 4.381 1.00 0.00 C ATOM 0 H TRP A 41 6.503 -5.234 6.333 1.00 0.00 H new ATOM 0 HA TRP A 41 7.849 -6.055 8.844 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.444 -3.316 7.575 1.00 0.00 H new ATOM 0 HB3 TRP A 41 8.140 -3.594 9.159 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.298 -5.682 8.749 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.353 -5.349 7.231 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.476 -1.974 5.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.129 -3.640 5.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.912 -1.015 3.935 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.225 -1.836 3.603 1.00 0.00 H new ATOM 662 N SER A 42 4.850 -5.802 8.600 1.00 0.00 N ATOM 663 CA SER A 42 3.482 -5.745 9.161 1.00 0.00 C ATOM 664 C SER A 42 2.902 -4.325 9.351 1.00 0.00 C ATOM 665 O SER A 42 1.980 -4.115 10.145 1.00 0.00 O ATOM 666 CB SER A 42 3.351 -6.645 10.405 1.00 0.00 C ATOM 667 OG SER A 42 3.959 -6.093 11.565 1.00 0.00 O ATOM 0 H SER A 42 4.888 -6.372 7.755 1.00 0.00 H new ATOM 0 HA SER A 42 2.832 -6.159 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.295 -6.823 10.607 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.803 -7.614 10.193 1.00 0.00 H new ATOM 0 HG SER A 42 4.662 -5.464 11.298 1.00 0.00 H new ATOM 673 N LEU A 43 3.418 -3.336 8.611 1.00 0.00 N ATOM 674 CA LEU A 43 2.989 -1.935 8.660 1.00 0.00 C ATOM 675 C LEU A 43 1.608 -1.765 7.996 1.00 0.00 C ATOM 676 O LEU A 43 1.399 -2.178 6.854 1.00 0.00 O ATOM 677 CB LEU A 43 4.073 -1.070 7.987 1.00 0.00 C ATOM 678 CG LEU A 43 5.383 -0.950 8.788 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.480 -0.391 7.887 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.240 -0.035 10.007 1.00 0.00 C ATOM 0 H LEU A 43 4.170 -3.495 7.940 1.00 0.00 H new ATOM 0 HA LEU A 43 2.874 -1.609 9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.298 -1.490 7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.671 -0.071 7.821 1.00 0.00 H new ATOM 0 HG LEU A 43 5.637 -1.949 9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.408 -0.306 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.632 -1.061 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.185 0.593 7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.191 0.016 10.537 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.953 0.964 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.474 -0.433 10.673 1.00 0.00 H new ATOM 692 N ALA A 44 0.657 -1.173 8.724 1.00 0.00 N ATOM 693 CA ALA A 44 -0.724 -0.966 8.280 1.00 0.00 C ATOM 694 C ALA A 44 -0.887 0.235 7.322 1.00 0.00 C ATOM 695 O ALA A 44 -0.010 1.098 7.225 1.00 0.00 O ATOM 696 CB ALA A 44 -1.606 -0.809 9.528 1.00 0.00 C ATOM 0 H ALA A 44 0.831 -0.815 9.663 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.033 -1.834 7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.641 -0.653 9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.538 -1.710 10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.265 0.048 10.109 1.00 0.00 H new ATOM 702 N ASN A 45 -2.050 0.308 6.659 1.00 0.00 N ATOM 703 CA ASN A 45 -2.507 1.440 5.836 1.00 0.00 C ATOM 704 C ASN A 45 -1.497 1.850 4.742 1.00 0.00 C ATOM 705 O ASN A 45 -0.974 2.966 4.742 1.00 0.00 O ATOM 706 CB ASN A 45 -2.936 2.613 6.746 1.00 0.00 C ATOM 707 CG ASN A 45 -3.922 2.225 7.835 1.00 0.00 C ATOM 708 OD1 ASN A 45 -3.600 2.175 9.014 1.00 0.00 O ATOM 709 ND2 ASN A 45 -5.149 1.912 7.482 1.00 0.00 N ATOM 0 H ASN A 45 -2.729 -0.453 6.682 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.383 1.114 5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.048 3.042 7.211 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.381 3.393 6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.827 1.629 8.190 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.423 1.952 6.500 1.00 0.00 H new ATOM 716 N HIS A 46 -1.215 0.951 3.789 1.00 0.00 N ATOM 717 CA HIS A 46 -0.187 1.144 2.756 1.00 0.00 C ATOM 718 C HIS A 46 -0.435 2.374 1.867 1.00 0.00 C ATOM 719 O HIS A 46 0.504 2.956 1.336 1.00 0.00 O ATOM 720 CB HIS A 46 -0.120 -0.125 1.898 1.00 0.00 C ATOM 721 CG HIS A 46 -1.263 -0.262 0.930 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.521 -0.793 1.215 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.262 0.234 -0.337 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.240 -0.627 0.093 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.511 -0.014 -0.856 1.00 0.00 N ATOM 0 H HIS A 46 -1.701 0.057 3.713 1.00 0.00 H new ATOM 0 HA HIS A 46 0.761 1.329 3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.818 -0.128 1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.104 -0.996 2.554 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.441 0.726 -0.837 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.265 -0.943 -0.030 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.829 0.225 -1.795 1.00 0.00 H new ATOM 733 N GLU A 47 -1.691 2.805 1.734 1.00 0.00 N ATOM 734 CA GLU A 47 -2.088 4.028 1.024 1.00 0.00 C ATOM 735 C GLU A 47 -1.565 5.328 1.676 1.00 0.00 C ATOM 736 O GLU A 47 -1.532 6.369 1.015 1.00 0.00 O ATOM 737 CB GLU A 47 -3.613 4.046 0.819 1.00 0.00 C ATOM 738 CG GLU A 47 -4.406 3.733 2.096 1.00 0.00 C ATOM 739 CD GLU A 47 -5.905 4.083 1.978 1.00 0.00 C ATOM 740 OE1 GLU A 47 -6.494 3.963 0.876 1.00 0.00 O ATOM 741 OE2 GLU A 47 -6.517 4.461 3.006 1.00 0.00 O ATOM 0 H GLU A 47 -2.485 2.300 2.128 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.604 4.002 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.910 5.027 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.877 3.320 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.304 2.673 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.974 4.287 2.930 1.00 0.00 H new ATOM 748 N TYR A 48 -1.106 5.291 2.937 1.00 0.00 N ATOM 749 CA TYR A 48 -0.371 6.401 3.564 1.00 0.00 C ATOM 750 C TYR A 48 1.097 6.464 3.108 1.00 0.00 C ATOM 751 O TYR A 48 1.745 7.496 3.276 1.00 0.00 O ATOM 752 CB TYR A 48 -0.351 6.255 5.096 1.00 0.00 C ATOM 753 CG TYR A 48 -1.655 6.216 5.875 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.912 6.482 5.288 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.577 5.934 7.253 1.00 0.00 C ATOM 756 CE1 TYR A 48 -4.080 6.442 6.075 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.738 5.905 8.043 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.998 6.152 7.456 1.00 0.00 C ATOM 759 OH TYR A 48 -5.122 6.112 8.224 1.00 0.00 O ATOM 0 H TYR A 48 -1.235 4.488 3.552 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.895 7.307 3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.191 5.338 5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.238 7.082 5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.978 6.716 4.236 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.616 5.738 7.706 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.041 6.634 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.667 5.694 9.100 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.879 5.897 9.149 1.00 0.00 H new ATOM 769 N PHE A 49 1.657 5.364 2.595 1.00 0.00 N ATOM 770 CA PHE A 49 3.086 5.202 2.319 1.00 0.00 C ATOM 771 C PHE A 49 3.489 5.537 0.875 1.00 0.00 C ATOM 772 O PHE A 49 2.679 5.547 -0.052 1.00 0.00 O ATOM 773 CB PHE A 49 3.538 3.788 2.726 1.00 0.00 C ATOM 774 CG PHE A 49 3.706 3.610 4.223 1.00 0.00 C ATOM 775 CD1 PHE A 49 4.983 3.739 4.802 1.00 0.00 C ATOM 776 CD2 PHE A 49 2.596 3.333 5.043 1.00 0.00 C ATOM 777 CE1 PHE A 49 5.145 3.608 6.193 1.00 0.00 C ATOM 778 CE2 PHE A 49 2.758 3.206 6.435 1.00 0.00 C ATOM 779 CZ PHE A 49 4.032 3.344 7.011 1.00 0.00 C ATOM 0 H PHE A 49 1.111 4.537 2.353 1.00 0.00 H new ATOM 0 HA PHE A 49 3.610 5.939 2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.809 3.064 2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.484 3.562 2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.840 3.939 4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.617 3.218 4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.126 3.710 6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.902 3.002 7.061 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.156 3.248 8.079 1.00 0.00 H new ATOM 789 N ALA A 50 4.788 5.785 0.712 1.00 0.00 N ATOM 790 CA ALA A 50 5.519 5.930 -0.538 1.00 0.00 C ATOM 791 C ALA A 50 6.947 5.388 -0.375 1.00 0.00 C ATOM 792 O ALA A 50 7.485 5.295 0.733 1.00 0.00 O ATOM 793 CB ALA A 50 5.535 7.410 -0.953 1.00 0.00 C ATOM 0 H ALA A 50 5.402 5.898 1.518 1.00 0.00 H new ATOM 0 HA ALA A 50 5.026 5.355 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.082 7.519 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.512 7.761 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.022 8.000 -0.177 1.00 0.00 H new ATOM 799 N LEU A 51 7.566 5.023 -1.494 1.00 0.00 N ATOM 800 CA LEU A 51 8.995 4.745 -1.556 1.00 0.00 C ATOM 801 C LEU A 51 9.750 6.054 -1.825 1.00 0.00 C ATOM 802 O LEU A 51 9.225 6.971 -2.460 1.00 0.00 O ATOM 803 CB LEU A 51 9.253 3.674 -2.628 1.00 0.00 C ATOM 804 CG LEU A 51 8.906 2.252 -2.149 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.889 1.290 -3.335 1.00 0.00 C ATOM 806 CD2 LEU A 51 9.923 1.732 -1.129 1.00 0.00 C ATOM 0 H LEU A 51 7.087 4.912 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 51 9.361 4.349 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.665 3.907 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.302 3.707 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 51 7.924 2.304 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.643 0.287 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.141 1.617 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.871 1.279 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.643 0.726 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.914 1.708 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.937 2.391 -0.261 1.00 0.00 H new ATOM 818 N GLN A 52 10.990 6.134 -1.360 1.00 0.00 N ATOM 819 CA GLN A 52 11.873 7.286 -1.532 1.00 0.00 C ATOM 820 C GLN A 52 13.297 6.812 -1.841 1.00 0.00 C ATOM 821 O GLN A 52 13.739 5.782 -1.330 1.00 0.00 O ATOM 822 CB GLN A 52 11.780 8.162 -0.270 1.00 0.00 C ATOM 823 CG GLN A 52 12.466 9.529 -0.396 1.00 0.00 C ATOM 824 CD GLN A 52 12.262 10.406 0.839 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.196 9.951 1.973 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.213 11.707 0.685 1.00 0.00 N ATOM 0 H GLN A 52 11.425 5.375 -0.835 1.00 0.00 H new ATOM 0 HA GLN A 52 11.567 7.896 -2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.729 8.317 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.224 7.622 0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.533 9.382 -0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.077 10.047 -1.273 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.266 12.112 -0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.122 12.314 1.500 1.00 0.00 H new ATOM 835 N HIS A 53 14.018 7.544 -2.687 1.00 0.00 N ATOM 836 CA HIS A 53 15.418 7.240 -3.019 1.00 0.00 C ATOM 837 C HIS A 53 16.351 7.386 -1.808 1.00 0.00 C ATOM 838 O HIS A 53 16.214 8.319 -1.011 1.00 0.00 O ATOM 839 CB HIS A 53 15.901 8.117 -4.182 1.00 0.00 C ATOM 840 CG HIS A 53 15.697 7.514 -5.547 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.497 6.516 -6.111 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.748 7.884 -6.454 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.007 6.307 -7.346 1.00 0.00 C ATOM 844 NE2 HIS A 53 14.957 7.114 -7.577 1.00 0.00 N ATOM 0 H HIS A 53 13.652 8.367 -3.165 1.00 0.00 H new ATOM 0 HA HIS A 53 15.454 6.195 -3.326 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.380 9.073 -4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.962 8.326 -4.046 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.983 8.634 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.401 5.592 -8.052 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.409 7.150 -8.437 1.00 0.00 H new ATOM 852 N ALA A 54 17.325 6.474 -1.706 1.00 0.00 N ATOM 853 CA ALA A 54 18.391 6.495 -0.701 1.00 0.00 C ATOM 854 C ALA A 54 19.801 6.342 -1.320 1.00 0.00 C ATOM 855 O ALA A 54 20.768 6.879 -0.776 1.00 0.00 O ATOM 856 CB ALA A 54 18.085 5.415 0.342 1.00 0.00 C ATOM 0 H ALA A 54 17.394 5.678 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 54 18.410 7.472 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.866 5.411 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 54 17.124 5.624 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.047 4.440 -0.144 1.00 0.00 H new ATOM 862 N ASP A 55 19.934 5.654 -2.463 1.00 0.00 N ATOM 863 CA ASP A 55 21.167 5.645 -3.269 1.00 0.00 C ATOM 864 C ASP A 55 21.386 7.013 -3.953 1.00 0.00 C ATOM 865 O ASP A 55 22.468 7.600 -3.873 1.00 0.00 O ATOM 866 CB ASP A 55 21.078 4.522 -4.317 1.00 0.00 C ATOM 867 CG ASP A 55 22.313 4.433 -5.230 1.00 0.00 C ATOM 868 OD1 ASP A 55 22.131 4.155 -6.439 1.00 0.00 O ATOM 869 OD2 ASP A 55 23.457 4.602 -4.748 1.00 0.00 O ATOM 0 H ASP A 55 19.186 5.084 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 55 22.020 5.462 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.945 3.569 -3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.192 4.680 -4.932 1.00 0.00 H new ATOM 874 N SER A 56 20.331 7.541 -4.586 1.00 0.00 N ATOM 875 CA SER A 56 20.260 8.917 -5.102 1.00 0.00 C ATOM 876 C SER A 56 19.822 9.910 -4.002 1.00 0.00 C ATOM 877 O SER A 56 19.621 9.527 -2.845 1.00 0.00 O ATOM 878 CB SER A 56 19.325 8.945 -6.320 1.00 0.00 C ATOM 879 OG SER A 56 19.453 10.167 -7.031 1.00 0.00 O ATOM 0 H SER A 56 19.478 7.009 -4.759 1.00 0.00 H new ATOM 0 HA SER A 56 21.252 9.239 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.557 8.110 -6.981 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.293 8.816 -5.994 1.00 0.00 H new ATOM 0 HG SER A 56 18.849 10.161 -7.803 1.00 0.00 H new ATOM 885 N SER A 57 19.658 11.191 -4.350 1.00 0.00 N ATOM 886 CA SER A 57 19.044 12.208 -3.476 1.00 0.00 C ATOM 887 C SER A 57 17.593 11.840 -3.104 1.00 0.00 C ATOM 888 O SER A 57 16.974 10.999 -3.755 1.00 0.00 O ATOM 889 CB SER A 57 19.128 13.587 -4.137 1.00 0.00 C ATOM 890 OG SER A 57 18.707 14.601 -3.239 1.00 0.00 O ATOM 0 H SER A 57 19.950 11.559 -5.255 1.00 0.00 H new ATOM 0 HA SER A 57 19.604 12.241 -2.542 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.152 13.780 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.505 13.605 -5.032 1.00 0.00 H new ATOM 0 HG SER A 57 18.770 15.474 -3.679 1.00 0.00 H new ATOM 896 N ASN A 58 17.044 12.455 -2.051 1.00 0.00 N ATOM 897 CA ASN A 58 15.778 12.115 -1.377 1.00 0.00 C ATOM 898 C ASN A 58 14.467 12.350 -2.179 1.00 0.00 C ATOM 899 O ASN A 58 13.454 12.772 -1.613 1.00 0.00 O ATOM 900 CB ASN A 58 15.784 12.788 0.015 1.00 0.00 C ATOM 901 CG ASN A 58 15.885 14.307 -0.026 1.00 0.00 C ATOM 902 OD1 ASN A 58 16.910 14.893 0.291 1.00 0.00 O ATOM 903 ND2 ASN A 58 14.836 14.993 -0.419 1.00 0.00 N ATOM 0 H ASN A 58 17.499 13.257 -1.615 1.00 0.00 H new ATOM 0 HA ASN A 58 15.752 11.030 -1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 58 14.873 12.510 0.544 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.621 12.395 0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.878 16.011 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.979 14.507 -0.684 1.00 0.00 H new ATOM 910 N PHE A 59 14.441 12.080 -3.483 1.00 0.00 N ATOM 911 CA PHE A 59 13.228 12.132 -4.307 1.00 0.00 C ATOM 912 C PHE A 59 12.239 11.015 -3.934 1.00 0.00 C ATOM 913 O PHE A 59 12.633 9.853 -3.798 1.00 0.00 O ATOM 914 CB PHE A 59 13.587 12.006 -5.796 1.00 0.00 C ATOM 915 CG PHE A 59 14.761 12.837 -6.277 1.00 0.00 C ATOM 916 CD1 PHE A 59 15.929 12.198 -6.739 1.00 0.00 C ATOM 917 CD2 PHE A 59 14.683 14.242 -6.283 1.00 0.00 C ATOM 918 CE1 PHE A 59 17.009 12.963 -7.213 1.00 0.00 C ATOM 919 CE2 PHE A 59 15.767 15.007 -6.750 1.00 0.00 C ATOM 920 CZ PHE A 59 16.928 14.368 -7.219 1.00 0.00 C ATOM 0 H PHE A 59 15.274 11.814 -4.008 1.00 0.00 H new ATOM 0 HA PHE A 59 12.752 13.094 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 59 13.799 10.958 -6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.711 12.280 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.994 11.120 -6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.789 14.734 -5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 59 17.901 12.472 -7.573 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.707 16.085 -6.748 1.00 0.00 H new ATOM 0 HZ PHE A 59 17.758 14.955 -7.584 1.00 0.00 H new ATOM 930 N TYR A 60 10.948 11.336 -3.817 1.00 0.00 N ATOM 931 CA TYR A 60 9.888 10.326 -3.699 1.00 0.00 C ATOM 932 C TYR A 60 9.693 9.587 -5.032 1.00 0.00 C ATOM 933 O TYR A 60 9.805 10.178 -6.110 1.00 0.00 O ATOM 934 CB TYR A 60 8.572 10.971 -3.241 1.00 0.00 C ATOM 935 CG TYR A 60 8.605 11.499 -1.820 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.823 12.868 -1.571 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.403 10.610 -0.744 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.855 13.350 -0.247 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.428 11.091 0.579 1.00 0.00 C ATOM 940 CZ TYR A 60 8.670 12.458 0.832 1.00 0.00 C ATOM 941 OH TYR A 60 8.708 12.913 2.115 1.00 0.00 O ATOM 0 H TYR A 60 10.607 12.297 -3.801 1.00 0.00 H new ATOM 0 HA TYR A 60 10.192 9.599 -2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.327 11.791 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.771 10.237 -3.326 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.966 13.550 -2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.229 9.561 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.021 14.400 -0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.262 10.412 1.402 1.00 0.00 H new ATOM 0 HH TYR A 60 8.561 12.166 2.732 1.00 0.00 H new ATOM 951 N ILE A 61 9.380 8.293 -4.974 1.00 0.00 N ATOM 952 CA ILE A 61 9.021 7.494 -6.149 1.00 0.00 C ATOM 953 C ILE A 61 7.569 7.793 -6.554 1.00 0.00 C ATOM 954 O ILE A 61 6.668 7.826 -5.714 1.00 0.00 O ATOM 955 CB ILE A 61 9.272 5.991 -5.889 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.727 5.685 -5.455 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.905 5.153 -7.125 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.828 6.222 -6.379 1.00 0.00 C ATOM 0 H ILE A 61 9.368 7.763 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 61 9.659 7.770 -6.988 1.00 0.00 H new ATOM 0 HB ILE A 61 8.624 5.715 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.883 6.097 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.842 4.604 -5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.090 4.099 -6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.851 5.297 -7.362 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.514 5.469 -7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.804 5.949 -5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.711 5.791 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.752 7.307 -6.443 1.00 0.00 H new ATOM 970 N THR A 62 7.349 8.001 -7.853 1.00 0.00 N ATOM 971 CA THR A 62 6.049 8.318 -8.471 1.00 0.00 C ATOM 972 C THR A 62 5.902 7.555 -9.785 1.00 0.00 C ATOM 973 O THR A 62 6.874 6.998 -10.297 1.00 0.00 O ATOM 974 CB THR A 62 5.878 9.826 -8.740 1.00 0.00 C ATOM 975 OG1 THR A 62 6.688 10.233 -9.826 1.00 0.00 O ATOM 976 CG2 THR A 62 6.222 10.719 -7.548 1.00 0.00 C ATOM 0 H THR A 62 8.103 7.952 -8.539 1.00 0.00 H new ATOM 0 HA THR A 62 5.276 8.016 -7.765 1.00 0.00 H new ATOM 0 HB THR A 62 4.817 9.950 -8.958 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.566 11.192 -9.984 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.075 11.764 -7.822 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.574 10.469 -6.707 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.262 10.562 -7.264 1.00 0.00 H new ATOM 984 N GLU A 63 4.708 7.553 -10.374 1.00 0.00 N ATOM 985 CA GLU A 63 4.419 6.880 -11.647 1.00 0.00 C ATOM 986 C GLU A 63 5.298 7.377 -12.817 1.00 0.00 C ATOM 987 O GLU A 63 5.498 6.644 -13.789 1.00 0.00 O ATOM 988 CB GLU A 63 2.922 7.015 -11.985 1.00 0.00 C ATOM 989 CG GLU A 63 1.980 6.457 -10.897 1.00 0.00 C ATOM 990 CD GLU A 63 1.432 7.535 -9.935 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.211 8.391 -9.447 1.00 0.00 O ATOM 992 OE2 GLU A 63 0.210 7.518 -9.646 1.00 0.00 O ATOM 0 H GLU A 63 3.897 8.026 -9.976 1.00 0.00 H new ATOM 0 HA GLU A 63 4.669 5.827 -11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.690 8.068 -12.147 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.724 6.497 -12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.142 5.953 -11.379 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.515 5.704 -10.318 1.00 0.00 H new ATOM 999 N LYS A 64 5.871 8.586 -12.704 1.00 0.00 N ATOM 1000 CA LYS A 64 6.903 9.126 -13.605 1.00 0.00 C ATOM 1001 C LYS A 64 8.329 8.863 -13.097 1.00 0.00 C ATOM 1002 O LYS A 64 9.173 8.399 -13.865 1.00 0.00 O ATOM 1003 CB LYS A 64 6.635 10.630 -13.809 1.00 0.00 C ATOM 1004 CG LYS A 64 7.607 11.347 -14.764 1.00 0.00 C ATOM 1005 CD LYS A 64 7.583 10.791 -16.197 1.00 0.00 C ATOM 1006 CE LYS A 64 8.490 11.637 -17.099 1.00 0.00 C ATOM 1007 NZ LYS A 64 8.480 11.147 -18.504 1.00 0.00 N ATOM 0 H LYS A 64 5.621 9.236 -11.959 1.00 0.00 H new ATOM 0 HA LYS A 64 6.840 8.609 -14.562 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.621 10.753 -14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.674 11.124 -12.838 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.360 12.408 -14.791 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.619 11.265 -14.368 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.918 9.754 -16.200 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.563 10.798 -16.582 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.162 12.676 -17.074 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.509 11.615 -16.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.104 11.743 -19.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.817 10.164 -18.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.511 11.191 -18.880 1.00 0.00 H new ATOM 1021 N ASN A 65 8.609 9.132 -11.819 1.00 0.00 N ATOM 1022 CA ASN A 65 9.969 9.136 -11.258 1.00 0.00 C ATOM 1023 C ASN A 65 10.539 7.725 -11.007 1.00 0.00 C ATOM 1024 O ASN A 65 11.754 7.549 -10.921 1.00 0.00 O ATOM 1025 CB ASN A 65 9.977 10.008 -9.987 1.00 0.00 C ATOM 1026 CG ASN A 65 11.384 10.391 -9.549 1.00 0.00 C ATOM 1027 OD1 ASN A 65 12.250 10.713 -10.348 1.00 0.00 O ATOM 1028 ND2 ASN A 65 11.664 10.389 -8.268 1.00 0.00 N ATOM 0 H ASN A 65 7.889 9.357 -11.132 1.00 0.00 H new ATOM 0 HA ASN A 65 10.642 9.567 -12.000 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.398 10.913 -10.168 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.483 9.470 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.596 10.654 -7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.950 10.122 -7.590 1.00 0.00 H new ATOM 1035 N ARG A 66 9.680 6.696 -10.970 1.00 0.00 N ATOM 1036 CA ARG A 66 10.067 5.272 -10.924 1.00 0.00 C ATOM 1037 C ARG A 66 11.016 4.841 -12.049 1.00 0.00 C ATOM 1038 O ARG A 66 11.792 3.908 -11.864 1.00 0.00 O ATOM 1039 CB ARG A 66 8.794 4.407 -10.923 1.00 0.00 C ATOM 1040 CG ARG A 66 7.956 4.551 -12.212 1.00 0.00 C ATOM 1041 CD ARG A 66 6.651 3.753 -12.158 1.00 0.00 C ATOM 1042 NE ARG A 66 6.887 2.322 -11.903 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.969 1.413 -11.647 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.696 1.645 -11.759 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.310 0.222 -11.265 1.00 0.00 N ATOM 0 H ARG A 66 8.669 6.831 -10.971 1.00 0.00 H new ATOM 0 HA ARG A 66 10.633 5.126 -10.004 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.074 3.361 -10.795 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.179 4.680 -10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.727 5.604 -12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.547 4.216 -13.064 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.010 4.159 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.116 3.869 -13.101 1.00 0.00 H new ATOM 0 HE ARG A 66 7.856 2.004 -11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.369 2.564 -12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.023 0.908 -11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.296 -0.017 -11.161 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.592 -0.476 -11.069 1.00 0.00 H new ATOM 1059 N ASN A 67 11.001 5.535 -13.190 1.00 0.00 N ATOM 1060 CA ASN A 67 11.903 5.281 -14.318 1.00 0.00 C ATOM 1061 C ASN A 67 13.382 5.616 -14.013 1.00 0.00 C ATOM 1062 O ASN A 67 14.272 5.156 -14.728 1.00 0.00 O ATOM 1063 CB ASN A 67 11.386 6.054 -15.544 1.00 0.00 C ATOM 1064 CG ASN A 67 10.033 5.544 -16.016 1.00 0.00 C ATOM 1065 OD1 ASN A 67 9.917 4.484 -16.611 1.00 0.00 O ATOM 1066 ND2 ASN A 67 8.969 6.270 -15.756 1.00 0.00 N ATOM 0 H ASN A 67 10.351 6.302 -13.359 1.00 0.00 H new ATOM 0 HA ASN A 67 11.897 4.210 -14.522 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.307 7.113 -15.297 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.108 5.969 -16.356 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.047 5.948 -16.051 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.065 7.156 -15.259 1.00 0.00 H new ATOM 1073 N GLU A 68 13.665 6.375 -12.947 1.00 0.00 N ATOM 1074 CA GLU A 68 15.028 6.621 -12.448 1.00 0.00 C ATOM 1075 C GLU A 68 15.596 5.453 -11.612 1.00 0.00 C ATOM 1076 O GLU A 68 16.795 5.429 -11.323 1.00 0.00 O ATOM 1077 CB GLU A 68 15.062 7.924 -11.630 1.00 0.00 C ATOM 1078 CG GLU A 68 14.580 9.169 -12.397 1.00 0.00 C ATOM 1079 CD GLU A 68 15.296 9.386 -13.746 1.00 0.00 C ATOM 1080 OE1 GLU A 68 14.620 9.740 -14.743 1.00 0.00 O ATOM 1081 OE2 GLU A 68 16.540 9.237 -13.819 1.00 0.00 O ATOM 0 H GLU A 68 12.945 6.843 -12.397 1.00 0.00 H new ATOM 0 HA GLU A 68 15.669 6.713 -13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.443 7.797 -10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.082 8.096 -11.286 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.508 9.082 -12.575 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.729 10.049 -11.772 1.00 0.00 H new ATOM 1088 N ILE A 69 14.766 4.475 -11.221 1.00 0.00 N ATOM 1089 CA ILE A 69 15.205 3.253 -10.537 1.00 0.00 C ATOM 1090 C ILE A 69 15.956 2.344 -11.526 1.00 0.00 C ATOM 1091 O ILE A 69 15.488 2.089 -12.640 1.00 0.00 O ATOM 1092 CB ILE A 69 14.009 2.512 -9.889 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.243 3.417 -8.892 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.487 1.237 -9.173 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.928 2.804 -8.392 1.00 0.00 C ATOM 0 H ILE A 69 13.758 4.512 -11.374 1.00 0.00 H new ATOM 0 HA ILE A 69 15.886 3.529 -9.731 1.00 0.00 H new ATOM 0 HB ILE A 69 13.325 2.240 -10.693 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.885 3.626 -8.036 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.030 4.372 -9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.633 0.730 -8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.966 0.573 -9.893 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.201 1.503 -8.394 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.446 3.493 -7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.267 2.621 -9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.136 1.863 -7.883 1.00 0.00 H new ATOM 1107 N LYS A 70 17.099 1.815 -11.082 1.00 0.00 N ATOM 1108 CA LYS A 70 17.939 0.817 -11.772 1.00 0.00 C ATOM 1109 C LYS A 70 18.117 -0.452 -10.929 1.00 0.00 C ATOM 1110 O LYS A 70 17.852 -0.443 -9.725 1.00 0.00 O ATOM 1111 CB LYS A 70 19.293 1.459 -12.152 1.00 0.00 C ATOM 1112 CG LYS A 70 20.084 1.920 -10.915 1.00 0.00 C ATOM 1113 CD LYS A 70 21.441 2.553 -11.244 1.00 0.00 C ATOM 1114 CE LYS A 70 22.205 2.885 -9.951 1.00 0.00 C ATOM 1115 NZ LYS A 70 21.483 3.871 -9.103 1.00 0.00 N ATOM 0 H LYS A 70 17.491 2.084 -10.179 1.00 0.00 H new ATOM 0 HA LYS A 70 17.437 0.503 -12.687 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.889 0.741 -12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.118 2.312 -12.808 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.483 2.641 -10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.243 1.065 -10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.029 1.870 -11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.294 3.460 -11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 70 22.366 1.969 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.189 3.280 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.029 4.049 -8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.367 4.761 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.548 3.493 -8.851 1.00 0.00 H new ATOM 1129 N ASN A 71 18.611 -1.532 -11.532 1.00 0.00 N ATOM 1130 CA ASN A 71 18.963 -2.759 -10.809 1.00 0.00 C ATOM 1131 C ASN A 71 20.005 -2.464 -9.704 1.00 0.00 C ATOM 1132 O ASN A 71 21.075 -1.914 -9.976 1.00 0.00 O ATOM 1133 CB ASN A 71 19.481 -3.825 -11.796 1.00 0.00 C ATOM 1134 CG ASN A 71 18.499 -4.174 -12.902 1.00 0.00 C ATOM 1135 OD1 ASN A 71 18.359 -3.459 -13.884 1.00 0.00 O ATOM 1136 ND2 ASN A 71 17.789 -5.274 -12.787 1.00 0.00 N ATOM 0 H ASN A 71 18.780 -1.584 -12.537 1.00 0.00 H new ATOM 0 HA ASN A 71 18.069 -3.149 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 71 20.407 -3.469 -12.246 1.00 0.00 H new ATOM 0 HB3 ASN A 71 19.724 -4.731 -11.241 1.00 0.00 H new ATOM 0 HD21 ASN A 71 17.123 -5.530 -13.516 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.904 -5.872 -11.969 1.00 0.00 H new ATOM 1143 N GLY A 72 19.685 -2.823 -8.458 1.00 0.00 N ATOM 1144 CA GLY A 72 20.513 -2.581 -7.271 1.00 0.00 C ATOM 1145 C GLY A 72 20.298 -1.223 -6.580 1.00 0.00 C ATOM 1146 O GLY A 72 21.098 -0.857 -5.717 1.00 0.00 O ATOM 0 H GLY A 72 18.814 -3.306 -8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.319 -3.372 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.561 -2.661 -7.558 1.00 0.00 H new ATOM 1150 N THR A 73 19.248 -0.464 -6.929 1.00 0.00 N ATOM 1151 CA THR A 73 18.938 0.828 -6.274 1.00 0.00 C ATOM 1152 C THR A 73 18.564 0.638 -4.802 1.00 0.00 C ATOM 1153 O THR A 73 17.707 -0.187 -4.474 1.00 0.00 O ATOM 1154 CB THR A 73 17.797 1.577 -6.982 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.168 1.841 -8.309 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.456 2.938 -6.376 1.00 0.00 C ATOM 0 H THR A 73 18.591 -0.721 -7.666 1.00 0.00 H new ATOM 0 HA THR A 73 19.848 1.424 -6.343 1.00 0.00 H new ATOM 0 HB THR A 73 16.931 0.923 -6.884 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.203 1.001 -8.812 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.641 3.393 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.151 2.808 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.332 3.585 -6.419 1.00 0.00 H new ATOM 1164 N ILE A 74 19.169 1.432 -3.913 1.00 0.00 N ATOM 1165 CA ILE A 74 18.761 1.524 -2.507 1.00 0.00 C ATOM 1166 C ILE A 74 17.623 2.547 -2.384 1.00 0.00 C ATOM 1167 O ILE A 74 17.763 3.708 -2.782 1.00 0.00 O ATOM 1168 CB ILE A 74 19.940 1.850 -1.559 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.181 0.966 -1.842 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.488 1.672 -0.096 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.433 1.406 -1.076 1.00 0.00 C ATOM 0 H ILE A 74 19.959 2.032 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 74 18.402 0.546 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 74 20.233 2.885 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.949 -0.066 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.394 0.984 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.318 1.902 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.657 2.346 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.168 0.642 0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.262 0.743 -1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.690 2.428 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.239 1.361 -0.004 1.00 0.00 H new ATOM 1183 N LEU A 75 16.502 2.112 -1.817 1.00 0.00 N ATOM 1184 CA LEU A 75 15.315 2.906 -1.497 1.00 0.00 C ATOM 1185 C LEU A 75 15.042 2.870 0.017 1.00 0.00 C ATOM 1186 O LEU A 75 15.680 2.128 0.765 1.00 0.00 O ATOM 1187 CB LEU A 75 14.103 2.365 -2.288 1.00 0.00 C ATOM 1188 CG LEU A 75 14.230 2.349 -3.823 1.00 0.00 C ATOM 1189 CD1 LEU A 75 12.950 1.770 -4.428 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.426 3.748 -4.405 1.00 0.00 C ATOM 0 H LEU A 75 16.389 1.134 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 75 15.486 3.944 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.905 1.347 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.231 2.963 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 75 15.104 1.744 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.035 1.757 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.802 0.754 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.099 2.387 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.510 3.682 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.572 4.373 -4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.336 4.188 -3.997 1.00 0.00 H new ATOM 1202 N ARG A 76 14.054 3.639 0.472 1.00 0.00 N ATOM 1203 CA ARG A 76 13.544 3.661 1.846 1.00 0.00 C ATOM 1204 C ARG A 76 12.024 3.832 1.842 1.00 0.00 C ATOM 1205 O ARG A 76 11.492 4.635 1.073 1.00 0.00 O ATOM 1206 CB ARG A 76 14.284 4.776 2.604 1.00 0.00 C ATOM 1207 CG ARG A 76 13.803 4.938 4.053 1.00 0.00 C ATOM 1208 CD ARG A 76 14.693 5.869 4.897 1.00 0.00 C ATOM 1209 NE ARG A 76 15.045 7.136 4.220 1.00 0.00 N ATOM 1210 CZ ARG A 76 14.232 8.074 3.767 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.944 8.045 3.939 1.00 0.00 N ATOM 1212 NH2 ARG A 76 14.693 9.085 3.095 1.00 0.00 N ATOM 0 H ARG A 76 13.563 4.296 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 76 13.733 2.718 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.352 4.561 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.149 5.719 2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.785 5.328 4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.766 3.957 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.180 6.098 5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.610 5.341 5.158 1.00 0.00 H new ATOM 0 HE ARG A 76 16.041 7.307 4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.514 7.271 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.363 8.797 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.693 9.162 2.911 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.055 9.802 2.751 1.00 0.00 H new ATOM 1226 N LEU A 77 11.326 3.082 2.693 1.00 0.00 N ATOM 1227 CA LEU A 77 9.888 3.240 2.935 1.00 0.00 C ATOM 1228 C LEU A 77 9.622 4.454 3.842 1.00 0.00 C ATOM 1229 O LEU A 77 10.358 4.696 4.800 1.00 0.00 O ATOM 1230 CB LEU A 77 9.350 1.923 3.521 1.00 0.00 C ATOM 1231 CG LEU A 77 7.861 1.913 3.885 1.00 0.00 C ATOM 1232 CD1 LEU A 77 6.992 1.949 2.623 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.518 0.645 4.654 1.00 0.00 C ATOM 0 H LEU A 77 11.748 2.335 3.244 1.00 0.00 H new ATOM 0 HA LEU A 77 9.359 3.442 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.534 1.125 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.925 1.684 4.416 1.00 0.00 H new ATOM 0 HG LEU A 77 7.664 2.795 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.939 1.941 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.209 2.855 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.209 1.076 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.458 0.649 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.741 -0.226 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.109 0.603 5.569 1.00 0.00 H new ATOM 1245 N THR A 78 8.574 5.224 3.550 1.00 0.00 N ATOM 1246 CA THR A 78 8.229 6.457 4.280 1.00 0.00 C ATOM 1247 C THR A 78 6.743 6.805 4.113 1.00 0.00 C ATOM 1248 O THR A 78 6.133 6.450 3.104 1.00 0.00 O ATOM 1249 CB THR A 78 9.156 7.600 3.816 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.854 8.806 4.482 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.122 7.877 2.308 1.00 0.00 C ATOM 0 H THR A 78 7.928 5.011 2.790 1.00 0.00 H new ATOM 0 HA THR A 78 8.386 6.303 5.348 1.00 0.00 H new ATOM 0 HB THR A 78 10.156 7.247 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.458 9.512 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.803 8.695 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.429 6.982 1.767 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.110 8.151 2.011 1.00 0.00 H new ATOM 1259 N THR A 79 6.118 7.479 5.083 1.00 0.00 N ATOM 1260 CA THR A 79 4.764 8.034 4.898 1.00 0.00 C ATOM 1261 C THR A 79 4.800 9.209 3.913 1.00 0.00 C ATOM 1262 O THR A 79 5.570 10.158 4.075 1.00 0.00 O ATOM 1263 CB THR A 79 4.093 8.441 6.221 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.963 9.193 7.045 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.615 7.219 7.011 1.00 0.00 C ATOM 0 H THR A 79 6.522 7.656 6.003 1.00 0.00 H new ATOM 0 HA THR A 79 4.149 7.237 4.480 1.00 0.00 H new ATOM 0 HB THR A 79 3.237 9.056 5.945 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.501 9.434 7.875 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.146 7.546 7.939 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.891 6.661 6.416 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.466 6.578 7.241 1.00 0.00 H new ATOM 1273 N SER A 80 3.961 9.145 2.878 1.00 0.00 N ATOM 1274 CA SER A 80 3.871 10.137 1.803 1.00 0.00 C ATOM 1275 C SER A 80 3.388 11.500 2.321 1.00 0.00 C ATOM 1276 O SER A 80 2.446 11.527 3.121 1.00 0.00 O ATOM 1277 CB SER A 80 2.889 9.640 0.737 1.00 0.00 C ATOM 1278 OG SER A 80 2.800 10.578 -0.321 1.00 0.00 O ATOM 0 H SER A 80 3.302 8.375 2.760 1.00 0.00 H new ATOM 0 HA SER A 80 4.869 10.264 1.384 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.218 8.675 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.905 9.487 1.181 1.00 0.00 H new ATOM 0 HG SER A 80 2.171 10.250 -0.997 1.00 0.00 H new ATOM 1284 N PRO A 81 3.926 12.638 1.839 1.00 0.00 N ATOM 1285 CA PRO A 81 3.402 13.968 2.162 1.00 0.00 C ATOM 1286 C PRO A 81 1.900 14.121 1.860 1.00 0.00 C ATOM 1287 O PRO A 81 1.192 14.823 2.584 1.00 0.00 O ATOM 1288 CB PRO A 81 4.256 14.944 1.343 1.00 0.00 C ATOM 1289 CG PRO A 81 5.576 14.202 1.168 1.00 0.00 C ATOM 1290 CD PRO A 81 5.121 12.753 1.018 1.00 0.00 C ATOM 0 HA PRO A 81 3.471 14.162 3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.794 15.173 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.394 15.891 1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.124 14.549 0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.233 14.334 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.907 12.514 -0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.895 12.061 1.351 1.00 0.00 H new ATOM 1298 N ALA A 82 1.380 13.393 0.863 1.00 0.00 N ATOM 1299 CA ALA A 82 -0.035 13.385 0.482 1.00 0.00 C ATOM 1300 C ALA A 82 -1.003 12.952 1.608 1.00 0.00 C ATOM 1301 O ALA A 82 -2.189 13.285 1.546 1.00 0.00 O ATOM 1302 CB ALA A 82 -0.189 12.468 -0.738 1.00 0.00 C ATOM 0 H ALA A 82 1.950 12.776 0.284 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.317 14.413 0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.235 12.443 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.420 12.848 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.138 11.461 -0.480 1.00 0.00 H new ATOM 1308 N GLN A 83 -0.529 12.254 2.652 1.00 0.00 N ATOM 1309 CA GLN A 83 -1.349 11.894 3.822 1.00 0.00 C ATOM 1310 C GLN A 83 -1.677 13.095 4.741 1.00 0.00 C ATOM 1311 O GLN A 83 -2.518 12.967 5.633 1.00 0.00 O ATOM 1312 CB GLN A 83 -0.702 10.715 4.579 1.00 0.00 C ATOM 1313 CG GLN A 83 0.479 11.098 5.492 1.00 0.00 C ATOM 1314 CD GLN A 83 0.139 11.290 6.974 1.00 0.00 C ATOM 1315 OE1 GLN A 83 -0.829 10.774 7.519 1.00 0.00 O ATOM 1316 NE2 GLN A 83 0.951 12.029 7.702 1.00 0.00 N ATOM 0 H GLN A 83 0.434 11.923 2.710 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.321 11.568 3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.467 10.228 5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.356 9.981 3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.243 10.325 5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.920 12.022 5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.764 12.469 7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.767 12.161 8.697 1.00 0.00 H new ATOM 1325 N ASN A 84 -1.044 14.260 4.528 1.00 0.00 N ATOM 1326 CA ASN A 84 -1.272 15.491 5.296 1.00 0.00 C ATOM 1327 C ASN A 84 -1.337 16.753 4.407 1.00 0.00 C ATOM 1328 O ASN A 84 -2.372 17.424 4.375 1.00 0.00 O ATOM 1329 CB ASN A 84 -0.191 15.592 6.388 1.00 0.00 C ATOM 1330 CG ASN A 84 -0.359 16.835 7.252 1.00 0.00 C ATOM 1331 OD1 ASN A 84 -1.417 17.105 7.802 1.00 0.00 O ATOM 1332 ND2 ASN A 84 0.671 17.640 7.392 1.00 0.00 N ATOM 0 H ASN A 84 -0.341 14.373 3.797 1.00 0.00 H new ATOM 0 HA ASN A 84 -2.254 15.438 5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.231 14.705 7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 84 0.794 15.607 5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.585 18.485 7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.556 17.420 6.935 1.00 0.00 H new ATOM 1339 N ALA A 85 -0.257 17.073 3.684 1.00 0.00 N ATOM 1340 CA ALA A 85 -0.150 18.223 2.779 1.00 0.00 C ATOM 1341 C ALA A 85 1.031 18.069 1.797 1.00 0.00 C ATOM 1342 O ALA A 85 2.136 17.689 2.195 1.00 0.00 O ATOM 1343 CB ALA A 85 0.020 19.508 3.607 1.00 0.00 C ATOM 0 H ALA A 85 0.598 16.517 3.715 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.064 18.278 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.100 20.364 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.843 19.637 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.924 19.434 4.211 1.00 0.00 H new ATOM 1349 N GLN A 86 0.818 18.418 0.523 1.00 0.00 N ATOM 1350 CA GLN A 86 1.836 18.375 -0.538 1.00 0.00 C ATOM 1351 C GLN A 86 1.621 19.519 -1.550 1.00 0.00 C ATOM 1352 O GLN A 86 1.129 19.321 -2.664 1.00 0.00 O ATOM 1353 CB GLN A 86 1.857 16.968 -1.170 1.00 0.00 C ATOM 1354 CG GLN A 86 3.068 16.766 -2.101 1.00 0.00 C ATOM 1355 CD GLN A 86 3.277 15.314 -2.541 1.00 0.00 C ATOM 1356 OE1 GLN A 86 2.565 14.391 -2.169 1.00 0.00 O ATOM 1357 NE2 GLN A 86 4.282 15.051 -3.350 1.00 0.00 N ATOM 0 H GLN A 86 -0.089 18.747 0.191 1.00 0.00 H new ATOM 0 HA GLN A 86 2.828 18.546 -0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 86 1.879 16.217 -0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 86 0.937 16.811 -1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.941 17.389 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.967 17.114 -1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.888 15.805 -3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.454 14.093 -3.654 1.00 0.00 H new ATOM 1366 N GLN A 87 1.937 20.746 -1.124 1.00 0.00 N ATOM 1367 CA GLN A 87 1.768 21.971 -1.919 1.00 0.00 C ATOM 1368 C GLN A 87 2.778 22.077 -3.080 1.00 0.00 C ATOM 1369 O GLN A 87 3.911 21.595 -2.990 1.00 0.00 O ATOM 1370 CB GLN A 87 1.873 23.208 -1.007 1.00 0.00 C ATOM 1371 CG GLN A 87 0.775 23.255 0.072 1.00 0.00 C ATOM 1372 CD GLN A 87 0.793 24.534 0.914 1.00 0.00 C ATOM 1373 OE1 GLN A 87 1.652 25.400 0.804 1.00 0.00 O ATOM 1374 NE2 GLN A 87 -0.163 24.704 1.805 1.00 0.00 N ATOM 0 H GLN A 87 2.326 20.921 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 87 0.776 21.925 -2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.850 23.214 -0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.813 24.109 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.199 23.161 -0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.889 22.395 0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.889 23.996 1.915 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.176 25.543 2.385 1.00 0.00 H new ATOM 1383 N LEU A 88 2.374 22.756 -4.161 1.00 0.00 N ATOM 1384 CA LEU A 88 3.245 23.127 -5.285 1.00 0.00 C ATOM 1385 C LEU A 88 4.299 24.177 -4.863 1.00 0.00 C ATOM 1386 O LEU A 88 4.047 24.999 -3.976 1.00 0.00 O ATOM 1387 CB LEU A 88 2.356 23.610 -6.445 1.00 0.00 C ATOM 1388 CG LEU A 88 3.096 23.937 -7.757 1.00 0.00 C ATOM 1389 CD1 LEU A 88 3.845 22.733 -8.337 1.00 0.00 C ATOM 1390 CD2 LEU A 88 2.071 24.384 -8.792 1.00 0.00 C ATOM 0 H LEU A 88 1.411 23.070 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 88 3.817 22.261 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.609 22.843 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.817 24.500 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 88 3.827 24.713 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.346 23.026 -9.260 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.586 22.384 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.137 21.931 -8.547 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.578 24.620 -9.728 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.351 23.583 -8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.550 25.270 -8.429 1.00 0.00 H new ATOM 1402 N HIS A 89 5.468 24.170 -5.510 1.00 0.00 N ATOM 1403 CA HIS A 89 6.590 25.082 -5.240 1.00 0.00 C ATOM 1404 C HIS A 89 7.266 25.574 -6.531 1.00 0.00 C ATOM 1405 O HIS A 89 7.138 24.969 -7.599 1.00 0.00 O ATOM 1406 CB HIS A 89 7.582 24.408 -4.278 1.00 0.00 C ATOM 1407 CG HIS A 89 8.193 23.131 -4.805 1.00 0.00 C ATOM 1408 ND1 HIS A 89 9.313 23.047 -5.638 1.00 0.00 N ATOM 1409 CD2 HIS A 89 7.724 21.871 -4.568 1.00 0.00 C ATOM 1410 CE1 HIS A 89 9.495 21.736 -5.879 1.00 0.00 C ATOM 1411 NE2 HIS A 89 8.555 21.009 -5.249 1.00 0.00 N ATOM 0 H HIS A 89 5.669 23.509 -6.261 1.00 0.00 H new ATOM 0 HA HIS A 89 6.199 25.978 -4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.382 25.112 -4.049 1.00 0.00 H new ATOM 0 HB3 HIS A 89 7.070 24.191 -3.340 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.869 21.603 -3.965 1.00 0.00 H new ATOM 0 HE1 HIS A 89 10.284 21.325 -6.492 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.472 19.993 -5.272 1.00 0.00 H new ATOM 1419 N GLU A 90 7.960 26.711 -6.443 1.00 0.00 N ATOM 1420 CA GLU A 90 8.535 27.446 -7.581 1.00 0.00 C ATOM 1421 C GLU A 90 9.879 26.859 -8.062 1.00 0.00 C ATOM 1422 O GLU A 90 10.927 27.509 -7.984 1.00 0.00 O ATOM 1423 CB GLU A 90 8.645 28.943 -7.231 1.00 0.00 C ATOM 1424 CG GLU A 90 7.282 29.594 -6.947 1.00 0.00 C ATOM 1425 CD GLU A 90 7.376 31.127 -6.787 1.00 0.00 C ATOM 1426 OE1 GLU A 90 6.413 31.833 -7.177 1.00 0.00 O ATOM 1427 OE2 GLU A 90 8.391 31.642 -6.257 1.00 0.00 O ATOM 0 H GLU A 90 8.146 27.164 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 90 7.857 27.334 -8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.287 29.060 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.128 29.469 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.595 29.359 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.860 29.163 -6.039 1.00 0.00 H new ATOM 1434 N ARG A 91 9.855 25.626 -8.592 1.00 0.00 N ATOM 1435 CA ARG A 91 11.029 24.890 -9.118 1.00 0.00 C ATOM 1436 C ARG A 91 11.685 25.522 -10.360 1.00 0.00 C ATOM 1437 O ARG A 91 12.695 25.015 -10.843 1.00 0.00 O ATOM 1438 CB ARG A 91 10.635 23.410 -9.337 1.00 0.00 C ATOM 1439 CG ARG A 91 11.831 22.445 -9.486 1.00 0.00 C ATOM 1440 CD ARG A 91 12.072 21.983 -10.935 1.00 0.00 C ATOM 1441 NE ARG A 91 13.381 21.312 -11.091 1.00 0.00 N ATOM 1442 CZ ARG A 91 14.549 21.883 -11.342 1.00 0.00 C ATOM 1443 NH1 ARG A 91 14.694 23.171 -11.449 1.00 0.00 N ATOM 1444 NH2 ARG A 91 15.625 21.165 -11.488 1.00 0.00 N ATOM 0 H ARG A 91 8.991 25.090 -8.672 1.00 0.00 H new ATOM 0 HA ARG A 91 11.816 24.953 -8.366 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.022 23.082 -8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.015 23.341 -10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.731 22.935 -9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.662 21.570 -8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.277 21.301 -11.235 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.023 22.843 -11.603 1.00 0.00 H new ATOM 0 HE ARG A 91 13.384 20.297 -10.994 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.888 23.786 -11.339 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.614 23.566 -11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.575 20.149 -11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 91 16.518 21.618 -11.681 1.00 0.00 H new ATOM 1458 N ILE A 92 11.162 26.638 -10.875 1.00 0.00 N ATOM 1459 CA ILE A 92 11.738 27.403 -12.000 1.00 0.00 C ATOM 1460 C ILE A 92 13.208 27.787 -11.722 1.00 0.00 C ATOM 1461 O ILE A 92 14.043 27.754 -12.629 1.00 0.00 O ATOM 1462 CB ILE A 92 10.853 28.647 -12.280 1.00 0.00 C ATOM 1463 CG1 ILE A 92 9.444 28.213 -12.758 1.00 0.00 C ATOM 1464 CG2 ILE A 92 11.491 29.595 -13.313 1.00 0.00 C ATOM 1465 CD1 ILE A 92 8.406 29.344 -12.763 1.00 0.00 C ATOM 0 H ILE A 92 10.302 27.051 -10.515 1.00 0.00 H new ATOM 0 HA ILE A 92 11.748 26.778 -12.893 1.00 0.00 H new ATOM 0 HB ILE A 92 10.765 29.195 -11.342 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.524 27.804 -13.765 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.086 27.409 -12.115 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.835 30.450 -13.476 1.00 0.00 H new ATOM 0 HG22 ILE A 92 12.455 29.943 -12.941 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.635 29.064 -14.254 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.448 28.957 -13.110 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.294 29.739 -11.753 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.739 30.140 -13.429 1.00 0.00 H new ATOM 1477 N GLN A 93 13.537 28.101 -10.463 1.00 0.00 N ATOM 1478 CA GLN A 93 14.904 28.361 -9.994 1.00 0.00 C ATOM 1479 C GLN A 93 15.637 27.077 -9.544 1.00 0.00 C ATOM 1480 O GLN A 93 15.102 26.269 -8.781 1.00 0.00 O ATOM 1481 CB GLN A 93 14.862 29.428 -8.881 1.00 0.00 C ATOM 1482 CG GLN A 93 14.171 28.973 -7.578 1.00 0.00 C ATOM 1483 CD GLN A 93 13.353 30.088 -6.929 1.00 0.00 C ATOM 1484 OE1 GLN A 93 13.862 31.132 -6.539 1.00 0.00 O ATOM 1485 NE2 GLN A 93 12.056 29.910 -6.787 1.00 0.00 N ATOM 0 H GLN A 93 12.841 28.184 -9.722 1.00 0.00 H new ATOM 0 HA GLN A 93 15.488 28.743 -10.831 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.883 29.731 -8.648 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.346 30.310 -9.261 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.519 28.126 -7.793 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.926 28.623 -6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.622 29.045 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.486 30.637 -6.356 1.00 0.00 H new ATOM 1494 N SER A 94 16.888 26.913 -9.986 1.00 0.00 N ATOM 1495 CA SER A 94 17.843 25.890 -9.514 1.00 0.00 C ATOM 1496 C SER A 94 19.282 26.245 -9.921 1.00 0.00 C ATOM 1497 O SER A 94 19.505 26.930 -10.925 1.00 0.00 O ATOM 1498 CB SER A 94 17.472 24.480 -10.011 1.00 0.00 C ATOM 1499 OG SER A 94 17.321 24.394 -11.424 1.00 0.00 O ATOM 0 H SER A 94 17.284 27.510 -10.712 1.00 0.00 H new ATOM 0 HA SER A 94 17.784 25.880 -8.426 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.243 23.778 -9.693 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.542 24.169 -9.535 1.00 0.00 H new ATOM 0 HG SER A 94 17.772 25.154 -11.848 1.00 0.00 H new ATOM 1505 N SER A 95 20.271 25.795 -9.139 1.00 0.00 N ATOM 1506 CA SER A 95 21.699 26.055 -9.392 1.00 0.00 C ATOM 1507 C SER A 95 22.246 25.277 -10.600 1.00 0.00 C ATOM 1508 O SER A 95 21.806 24.161 -10.895 1.00 0.00 O ATOM 1509 CB SER A 95 22.523 25.740 -8.138 1.00 0.00 C ATOM 1510 OG SER A 95 23.889 26.072 -8.340 1.00 0.00 O ATOM 0 H SER A 95 20.104 25.234 -8.304 1.00 0.00 H new ATOM 0 HA SER A 95 21.790 27.114 -9.635 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.130 26.298 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.433 24.682 -7.894 1.00 0.00 H new ATOM 0 HG SER A 95 24.399 25.866 -7.529 1.00 0.00 H new ATOM 1516 N SER A 96 23.243 25.850 -11.280 1.00 0.00 N ATOM 1517 CA SER A 96 24.031 25.203 -12.343 1.00 0.00 C ATOM 1518 C SER A 96 25.095 24.220 -11.814 1.00 0.00 C ATOM 1519 O SER A 96 25.714 23.505 -12.608 1.00 0.00 O ATOM 1520 CB SER A 96 24.700 26.288 -13.196 1.00 0.00 C ATOM 1521 OG SER A 96 25.563 27.097 -12.407 1.00 0.00 O ATOM 0 H SER A 96 23.537 26.810 -11.102 1.00 0.00 H new ATOM 0 HA SER A 96 23.339 24.607 -12.938 1.00 0.00 H new ATOM 0 HB2 SER A 96 25.268 25.823 -14.002 1.00 0.00 H new ATOM 0 HB3 SER A 96 23.937 26.911 -13.662 1.00 0.00 H new ATOM 0 HG SER A 96 25.979 27.780 -12.973 1.00 0.00 H new ATOM 1527 N MET A 97 25.312 24.163 -10.493 1.00 0.00 N ATOM 1528 CA MET A 97 26.333 23.343 -9.819 1.00 0.00 C ATOM 1529 C MET A 97 25.770 22.600 -8.592 1.00 0.00 C ATOM 1530 O MET A 97 24.690 22.919 -8.089 1.00 0.00 O ATOM 1531 CB MET A 97 27.528 24.226 -9.416 1.00 0.00 C ATOM 1532 CG MET A 97 28.237 24.860 -10.621 1.00 0.00 C ATOM 1533 SD MET A 97 29.749 25.785 -10.224 1.00 0.00 S ATOM 1534 CE MET A 97 29.042 27.215 -9.357 1.00 0.00 C ATOM 0 H MET A 97 24.758 24.710 -9.835 1.00 0.00 H new ATOM 0 HA MET A 97 26.665 22.581 -10.525 1.00 0.00 H new ATOM 0 HB2 MET A 97 27.181 25.015 -8.749 1.00 0.00 H new ATOM 0 HB3 MET A 97 28.244 23.625 -8.855 1.00 0.00 H new ATOM 0 HG2 MET A 97 28.487 24.072 -11.332 1.00 0.00 H new ATOM 0 HG3 MET A 97 27.539 25.531 -11.122 1.00 0.00 H new ATOM 0 HE1 MET A 97 29.836 27.919 -9.108 1.00 0.00 H new ATOM 0 HE2 MET A 97 28.311 27.705 -10.000 1.00 0.00 H new ATOM 0 HE3 MET A 97 28.554 26.881 -8.442 1.00 0.00 H new ATOM 1544 N ASP A 98 26.511 21.605 -8.096 1.00 0.00 N ATOM 1545 CA ASP A 98 26.163 20.796 -6.918 1.00 0.00 C ATOM 1546 C ASP A 98 27.426 20.307 -6.173 1.00 0.00 C ATOM 1547 O ASP A 98 28.540 20.352 -6.705 1.00 0.00 O ATOM 1548 CB ASP A 98 25.270 19.617 -7.358 1.00 0.00 C ATOM 1549 CG ASP A 98 24.484 18.939 -6.217 1.00 0.00 C ATOM 1550 OD1 ASP A 98 23.855 17.886 -6.478 1.00 0.00 O ATOM 1551 OD2 ASP A 98 24.462 19.455 -5.073 1.00 0.00 O ATOM 0 H ASP A 98 27.399 21.329 -8.515 1.00 0.00 H new ATOM 0 HA ASP A 98 25.609 21.415 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 98 24.562 19.975 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 98 25.895 18.868 -7.845 1.00 0.00 H new ATOM 1556 N ALA A 99 27.262 19.838 -4.935 1.00 0.00 N ATOM 1557 CA ALA A 99 28.318 19.224 -4.132 1.00 0.00 C ATOM 1558 C ALA A 99 28.705 17.812 -4.633 1.00 0.00 C ATOM 1559 O ALA A 99 27.921 17.133 -5.304 1.00 0.00 O ATOM 1560 CB ALA A 99 27.853 19.194 -2.670 1.00 0.00 C ATOM 0 H ALA A 99 26.365 19.876 -4.451 1.00 0.00 H new ATOM 0 HA ALA A 99 29.224 19.822 -4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 99 28.627 18.739 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 99 27.666 20.211 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 99 26.936 18.610 -2.592 1.00 0.00 H new ATOM 1566 N LYS A 100 29.911 17.355 -4.258 1.00 0.00 N ATOM 1567 CA LYS A 100 30.446 15.996 -4.492 1.00 0.00 C ATOM 1568 C LYS A 100 30.555 15.576 -5.975 1.00 0.00 C ATOM 1569 O LYS A 100 30.583 14.385 -6.292 1.00 0.00 O ATOM 1570 CB LYS A 100 29.691 14.991 -3.593 1.00 0.00 C ATOM 1571 CG LYS A 100 30.546 13.785 -3.166 1.00 0.00 C ATOM 1572 CD LYS A 100 29.743 12.843 -2.256 1.00 0.00 C ATOM 1573 CE LYS A 100 30.533 11.588 -1.859 1.00 0.00 C ATOM 1574 NZ LYS A 100 31.664 11.892 -0.941 1.00 0.00 N ATOM 0 H LYS A 100 30.574 17.948 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 100 31.495 16.001 -4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 100 29.337 15.509 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 100 28.810 14.631 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 100 30.886 13.243 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 100 31.437 14.132 -2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 100 29.446 13.380 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 100 28.827 12.545 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 100 29.861 10.877 -1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 100 30.918 11.106 -2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 32.165 11.012 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 32.322 12.550 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 31.297 12.327 -0.071 1.00 0.00 H new ATOM 1588 N LEU A 101 30.613 16.543 -6.897 1.00 0.00 N ATOM 1589 CA LEU A 101 30.825 16.305 -8.334 1.00 0.00 C ATOM 1590 C LEU A 101 32.294 16.001 -8.687 1.00 0.00 C ATOM 1591 O LEU A 101 32.574 15.364 -9.705 1.00 0.00 O ATOM 1592 CB LEU A 101 30.315 17.514 -9.144 1.00 0.00 C ATOM 1593 CG LEU A 101 28.801 17.795 -9.039 1.00 0.00 C ATOM 1594 CD1 LEU A 101 28.458 19.029 -9.876 1.00 0.00 C ATOM 1595 CD2 LEU A 101 27.947 16.631 -9.546 1.00 0.00 C ATOM 0 H LEU A 101 30.513 17.531 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 101 30.255 15.414 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 101 30.855 18.402 -8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 101 30.566 17.358 -10.193 1.00 0.00 H new ATOM 0 HG LEU A 101 28.579 17.947 -7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.389 19.231 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 101 29.016 19.888 -9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.724 18.848 -10.917 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.891 16.885 -9.448 1.00 0.00 H new ATOM 0 HD22 LEU A 101 28.178 16.439 -10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 101 28.162 15.739 -8.958 1.00 0.00 H new ATOM 1607 N GLU A 102 33.235 16.449 -7.855 1.00 0.00 N ATOM 1608 CA GLU A 102 34.676 16.203 -7.986 1.00 0.00 C ATOM 1609 C GLU A 102 35.083 14.765 -7.595 1.00 0.00 C ATOM 1610 O GLU A 102 34.429 14.119 -6.769 1.00 0.00 O ATOM 1611 CB GLU A 102 35.469 17.262 -7.192 1.00 0.00 C ATOM 1612 CG GLU A 102 35.534 17.096 -5.660 1.00 0.00 C ATOM 1613 CD GLU A 102 34.181 17.165 -4.917 1.00 0.00 C ATOM 1614 OE1 GLU A 102 33.228 17.825 -5.401 1.00 0.00 O ATOM 1615 OE2 GLU A 102 34.077 16.579 -3.814 1.00 0.00 O ATOM 0 H GLU A 102 33.008 17.016 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 102 34.928 16.298 -9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 102 36.490 17.275 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 102 35.036 18.239 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 102 36.001 16.136 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 102 36.188 17.870 -5.257 1.00 0.00 H new ATOM 1622 N ALA A 103 36.187 14.273 -8.170 1.00 0.00 N ATOM 1623 CA ALA A 103 36.750 12.942 -7.908 1.00 0.00 C ATOM 1624 C ALA A 103 38.274 12.892 -8.155 1.00 0.00 C ATOM 1625 O ALA A 103 38.818 13.674 -8.942 1.00 0.00 O ATOM 1626 CB ALA A 103 36.018 11.913 -8.785 1.00 0.00 C ATOM 0 H ALA A 103 36.729 14.805 -8.850 1.00 0.00 H new ATOM 0 HA ALA A 103 36.603 12.705 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 103 36.427 10.920 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 103 34.955 11.919 -8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 103 36.152 12.170 -9.836 1.00 0.00 H new ATOM 1632 N LEU A 104 38.958 11.949 -7.495 1.00 0.00 N ATOM 1633 CA LEU A 104 40.381 11.643 -7.714 1.00 0.00 C ATOM 1634 C LEU A 104 40.630 10.911 -9.050 1.00 0.00 C ATOM 1635 O LEU A 104 39.702 10.367 -9.660 1.00 0.00 O ATOM 1636 CB LEU A 104 40.934 10.880 -6.489 1.00 0.00 C ATOM 1637 CG LEU A 104 40.385 9.453 -6.252 1.00 0.00 C ATOM 1638 CD1 LEU A 104 41.171 8.372 -7.001 1.00 0.00 C ATOM 1639 CD2 LEU A 104 40.466 9.111 -4.763 1.00 0.00 C ATOM 0 H LEU A 104 38.530 11.364 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 104 40.932 12.579 -7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 104 42.017 10.815 -6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 104 40.731 11.475 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 104 39.359 9.461 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 104 40.735 7.395 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 104 41.128 8.567 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 104 42.210 8.384 -6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 104 40.079 8.105 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 104 41.504 9.158 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 104 39.873 9.826 -4.193 1.00 0.00 H new ATOM 1651 N LYS A 105 41.898 10.863 -9.481 1.00 0.00 N ATOM 1652 CA LYS A 105 42.363 10.137 -10.678 1.00 0.00 C ATOM 1653 C LYS A 105 43.758 9.526 -10.494 1.00 0.00 C ATOM 1654 O LYS A 105 44.572 10.029 -9.715 1.00 0.00 O ATOM 1655 CB LYS A 105 42.290 11.046 -11.923 1.00 0.00 C ATOM 1656 CG LYS A 105 43.230 12.264 -11.868 1.00 0.00 C ATOM 1657 CD LYS A 105 43.090 13.123 -13.132 1.00 0.00 C ATOM 1658 CE LYS A 105 44.038 14.326 -13.057 1.00 0.00 C ATOM 1659 NZ LYS A 105 43.926 15.188 -14.263 1.00 0.00 N ATOM 0 H LYS A 105 42.655 11.342 -8.993 1.00 0.00 H new ATOM 0 HA LYS A 105 41.688 9.295 -10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 105 42.531 10.454 -12.806 1.00 0.00 H new ATOM 0 HB3 LYS A 105 41.265 11.397 -12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 105 43.001 12.865 -10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 105 44.262 11.928 -11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 105 43.317 12.525 -14.015 1.00 0.00 H new ATOM 0 HD3 LYS A 105 42.061 13.467 -13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 105 43.811 14.913 -12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 105 45.065 13.975 -12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 44.581 15.991 -14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 44.166 14.634 -15.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 42.952 15.543 -14.347 1.00 0.00 H new ATOM 1673 N ASP A 106 44.026 8.444 -11.218 1.00 0.00 N ATOM 1674 CA ASP A 106 45.339 7.794 -11.333 1.00 0.00 C ATOM 1675 C ASP A 106 46.190 8.387 -12.483 1.00 0.00 C ATOM 1676 O ASP A 106 45.729 9.232 -13.257 1.00 0.00 O ATOM 1677 CB ASP A 106 45.155 6.269 -11.487 1.00 0.00 C ATOM 1678 CG ASP A 106 44.348 5.788 -12.714 1.00 0.00 C ATOM 1679 OD1 ASP A 106 43.625 6.584 -13.360 1.00 0.00 O ATOM 1680 OD2 ASP A 106 44.419 4.574 -13.021 1.00 0.00 O ATOM 0 H ASP A 106 43.307 7.971 -11.766 1.00 0.00 H new ATOM 0 HA ASP A 106 45.895 7.989 -10.416 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.143 5.809 -11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 106 44.665 5.893 -10.589 1.00 0.00 H new ATOM 1685 N LEU A 107 47.446 7.937 -12.590 1.00 0.00 N ATOM 1686 CA LEU A 107 48.398 8.283 -13.657 1.00 0.00 C ATOM 1687 C LEU A 107 48.970 7.017 -14.323 1.00 0.00 C ATOM 1688 O LEU A 107 49.077 5.963 -13.688 1.00 0.00 O ATOM 1689 CB LEU A 107 49.524 9.177 -13.094 1.00 0.00 C ATOM 1690 CG LEU A 107 49.075 10.548 -12.552 1.00 0.00 C ATOM 1691 CD1 LEU A 107 50.258 11.248 -11.881 1.00 0.00 C ATOM 1692 CD2 LEU A 107 48.551 11.470 -13.656 1.00 0.00 C ATOM 0 H LEU A 107 47.846 7.294 -11.907 1.00 0.00 H new ATOM 0 HA LEU A 107 47.867 8.843 -14.427 1.00 0.00 H new ATOM 0 HB2 LEU A 107 50.027 8.636 -12.292 1.00 0.00 H new ATOM 0 HB3 LEU A 107 50.261 9.340 -13.880 1.00 0.00 H new ATOM 0 HG LEU A 107 48.268 10.358 -11.844 1.00 0.00 H new ATOM 0 HD11 LEU A 107 49.938 12.217 -11.499 1.00 0.00 H new ATOM 0 HD12 LEU A 107 50.623 10.635 -11.057 1.00 0.00 H new ATOM 0 HD13 LEU A 107 51.057 11.391 -12.609 1.00 0.00 H new ATOM 0 HD21 LEU A 107 48.248 12.422 -13.221 1.00 0.00 H new ATOM 0 HD22 LEU A 107 49.337 11.641 -14.391 1.00 0.00 H new ATOM 0 HD23 LEU A 107 47.694 11.004 -14.143 1.00 0.00 H new ATOM 1704 N ALA A 108 49.342 7.127 -15.602 1.00 0.00 N ATOM 1705 CA ALA A 108 49.821 6.023 -16.442 1.00 0.00 C ATOM 1706 C ALA A 108 50.769 6.507 -17.563 1.00 0.00 C ATOM 1707 O ALA A 108 50.916 7.710 -17.801 1.00 0.00 O ATOM 1708 CB ALA A 108 48.595 5.295 -17.020 1.00 0.00 C ATOM 0 H ALA A 108 49.317 8.017 -16.099 1.00 0.00 H new ATOM 0 HA ALA A 108 50.410 5.339 -15.831 1.00 0.00 H new ATOM 0 HB1 ALA A 108 48.926 4.469 -17.649 1.00 0.00 H new ATOM 0 HB2 ALA A 108 47.984 4.908 -16.205 1.00 0.00 H new ATOM 0 HB3 ALA A 108 48.006 5.992 -17.616 1.00 0.00 H new ATOM 1714 N SER A 109 51.398 5.561 -18.269 1.00 0.00 N ATOM 1715 CA SER A 109 52.289 5.803 -19.417 1.00 0.00 C ATOM 1716 C SER A 109 52.176 4.691 -20.468 1.00 0.00 C ATOM 1717 O SER A 109 51.942 3.524 -20.136 1.00 0.00 O ATOM 1718 CB SER A 109 53.739 5.943 -18.935 1.00 0.00 C ATOM 1719 OG SER A 109 54.630 6.103 -20.031 1.00 0.00 O ATOM 0 H SER A 109 51.299 4.569 -18.052 1.00 0.00 H new ATOM 0 HA SER A 109 51.978 6.733 -19.893 1.00 0.00 H new ATOM 0 HB2 SER A 109 53.822 6.800 -18.267 1.00 0.00 H new ATOM 0 HB3 SER A 109 54.021 5.061 -18.359 1.00 0.00 H new ATOM 0 HG SER A 109 55.390 5.494 -19.926 1.00 0.00 H new ATOM 1725 N LEU A 110 52.374 5.046 -21.742 1.00 0.00 N ATOM 1726 CA LEU A 110 52.452 4.106 -22.870 1.00 0.00 C ATOM 1727 C LEU A 110 53.795 3.347 -22.938 1.00 0.00 C ATOM 1728 O LEU A 110 53.916 2.394 -23.711 1.00 0.00 O ATOM 1729 CB LEU A 110 52.204 4.871 -24.187 1.00 0.00 C ATOM 1730 CG LEU A 110 50.856 5.612 -24.285 1.00 0.00 C ATOM 1731 CD1 LEU A 110 50.766 6.331 -25.632 1.00 0.00 C ATOM 1732 CD2 LEU A 110 49.656 4.669 -24.169 1.00 0.00 C ATOM 0 H LEU A 110 52.488 6.019 -22.026 1.00 0.00 H new ATOM 0 HA LEU A 110 51.682 3.350 -22.717 1.00 0.00 H new ATOM 0 HB2 LEU A 110 53.007 5.596 -24.322 1.00 0.00 H new ATOM 0 HB3 LEU A 110 52.270 4.164 -25.014 1.00 0.00 H new ATOM 0 HG LEU A 110 50.820 6.315 -23.453 1.00 0.00 H new ATOM 0 HD11 LEU A 110 49.813 6.855 -25.702 1.00 0.00 H new ATOM 0 HD12 LEU A 110 51.582 7.049 -25.716 1.00 0.00 H new ATOM 0 HD13 LEU A 110 50.839 5.602 -26.439 1.00 0.00 H new ATOM 0 HD21 LEU A 110 48.733 5.244 -24.245 1.00 0.00 H new ATOM 0 HD22 LEU A 110 49.692 3.933 -24.973 1.00 0.00 H new ATOM 0 HD23 LEU A 110 49.687 4.157 -23.207 1.00 0.00 H new ATOM 1744 N SER A 111 54.804 3.762 -22.158 1.00 0.00 N ATOM 1745 CA SER A 111 56.184 3.240 -22.197 1.00 0.00 C ATOM 1746 C SER A 111 56.796 3.314 -23.613 1.00 0.00 C ATOM 1747 O SER A 111 57.321 2.338 -24.161 1.00 0.00 O ATOM 1748 CB SER A 111 56.252 1.850 -21.539 1.00 0.00 C ATOM 1749 OG SER A 111 57.589 1.476 -21.232 1.00 0.00 O ATOM 0 H SER A 111 54.681 4.494 -21.459 1.00 0.00 H new ATOM 0 HA SER A 111 56.824 3.888 -21.598 1.00 0.00 H new ATOM 0 HB2 SER A 111 55.656 1.850 -20.626 1.00 0.00 H new ATOM 0 HB3 SER A 111 55.812 1.110 -22.207 1.00 0.00 H new ATOM 0 HG SER A 111 57.593 0.589 -20.814 1.00 0.00 H new ATOM 1755 N ARG A 112 56.652 4.489 -24.246 1.00 0.00 N ATOM 1756 CA ARG A 112 57.020 4.762 -25.647 1.00 0.00 C ATOM 1757 C ARG A 112 58.526 4.579 -25.897 1.00 0.00 C ATOM 1758 O ARG A 112 59.357 5.058 -25.121 1.00 0.00 O ATOM 1759 CB ARG A 112 56.552 6.188 -26.005 1.00 0.00 C ATOM 1760 CG ARG A 112 56.670 6.598 -27.486 1.00 0.00 C ATOM 1761 CD ARG A 112 55.584 6.014 -28.402 1.00 0.00 C ATOM 1762 NE ARG A 112 55.806 4.590 -28.720 1.00 0.00 N ATOM 1763 CZ ARG A 112 54.940 3.597 -28.674 1.00 0.00 C ATOM 1764 NH1 ARG A 112 53.700 3.745 -28.299 1.00 0.00 N ATOM 1765 NH2 ARG A 112 55.343 2.412 -29.013 1.00 0.00 N ATOM 0 H ARG A 112 56.261 5.307 -23.779 1.00 0.00 H new ATOM 0 HA ARG A 112 56.523 4.040 -26.295 1.00 0.00 H new ATOM 0 HB2 ARG A 112 55.509 6.291 -25.704 1.00 0.00 H new ATOM 0 HB3 ARG A 112 57.127 6.896 -25.408 1.00 0.00 H new ATOM 0 HG2 ARG A 112 56.635 7.685 -27.552 1.00 0.00 H new ATOM 0 HG3 ARG A 112 57.646 6.287 -27.858 1.00 0.00 H new ATOM 0 HD2 ARG A 112 54.612 6.127 -27.922 1.00 0.00 H new ATOM 0 HD3 ARG A 112 55.550 6.587 -29.329 1.00 0.00 H new ATOM 0 HE ARG A 112 56.751 4.342 -29.013 1.00 0.00 H new ATOM 0 HH11 ARG A 112 53.357 4.665 -28.022 1.00 0.00 H new ATOM 0 HH12 ARG A 112 53.073 2.941 -28.282 1.00 0.00 H new ATOM 0 HH21 ARG A 112 56.309 2.266 -29.306 1.00 0.00 H new ATOM 0 HH22 ARG A 112 54.694 1.626 -28.987 1.00 0.00 H new ATOM 1779 N ASP A 113 58.867 3.903 -26.995 1.00 0.00 N ATOM 1780 CA ASP A 113 60.232 3.687 -27.506 1.00 0.00 C ATOM 1781 C ASP A 113 60.880 4.969 -28.075 1.00 0.00 C ATOM 1782 O ASP A 113 62.042 5.257 -27.706 1.00 0.00 O ATOM 1783 CB ASP A 113 60.224 2.568 -28.573 1.00 0.00 C ATOM 1784 CG ASP A 113 59.230 2.748 -29.747 1.00 0.00 C ATOM 1785 OD1 ASP A 113 59.649 2.598 -30.921 1.00 0.00 O ATOM 1786 OD2 ASP A 113 58.012 2.956 -29.501 1.00 0.00 O ATOM 1787 OXT ASP A 113 60.242 5.668 -28.893 1.00 0.00 O ATOM 0 H ASP A 113 58.163 3.465 -27.589 1.00 0.00 H new ATOM 0 HA ASP A 113 60.844 3.385 -26.656 1.00 0.00 H new ATOM 0 HB2 ASP A 113 61.229 2.481 -28.986 1.00 0.00 H new ATOM 0 HB3 ASP A 113 60.001 1.624 -28.077 1.00 0.00 H new TER 1792 ASP A 113