USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 672 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 15 SER OG : rot -60:sc= -0.605 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -143:sc= -0.21 (180deg=-1.13) USER MOD Set 2.1: A 17 MET CE :methyl 165:sc= -1.05 (180deg=-1.02) USER MOD Set 2.2: A 32 SER OG : rot 180:sc= -0.1 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.851 K(o=0.85,f=-1.4) USER MOD Single : A 12 ASN : amide:sc= 0.893 K(o=0.89,f=-0.94) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.521 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 1.14 K(o=1.1,f=-2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.293 K(o=-0.29,f=-3.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0296 USER MOD Single : A 44 GLN : amide:sc= -0.0399 K(o=-0.04,f=-1.5) USER MOD Single : A 46 ASN : amide:sc= 0.0127 K(o=0.013,f=-6!) USER MOD Single : A 53 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.045) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 61 GLN : amide:sc= -0.986 X(o=-0.99,f=-0.58) USER MOD Single : A 64 GLN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.23) USER MOD Single : A 70 HIS : no HD1:sc= -0.0476 X(o=-0.048,f=0) USER MOD Single : A 74 THR OG1 : rot 50:sc= -0.0431 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00489 USER MOD Single : A 81 ASN : amide:sc= 0.366 K(o=0.37,f=-5.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N ASP A 4 9.501 9.651 -0.761 1.00 24.23 N ATOM 43 CA ASP A 4 9.146 8.395 -0.161 1.00 13.41 C ATOM 44 C ASP A 4 7.638 8.156 -0.245 1.00 74.14 C ATOM 45 O ASP A 4 6.882 8.352 0.705 1.00 4.44 O ATOM 46 CB ASP A 4 9.598 8.319 1.297 1.00 33.30 C ATOM 47 CG ASP A 4 9.485 9.625 2.123 1.00 61.22 C ATOM 48 OD1 ASP A 4 8.445 10.319 2.105 1.00 60.45 O ATOM 49 OD2 ASP A 4 10.505 10.087 2.697 1.00 42.45 O ATOM 0 HA ASP A 4 9.663 7.616 -0.722 1.00 13.41 H new ATOM 0 HB2 ASP A 4 9.012 7.547 1.796 1.00 33.30 H new ATOM 0 HB3 ASP A 4 10.638 7.992 1.316 1.00 33.30 H new ATOM 54 N THR A 5 7.220 7.622 -1.379 1.00 73.34 N ATOM 55 CA THR A 5 5.865 7.138 -1.584 1.00 11.52 C ATOM 56 C THR A 5 5.952 5.795 -2.293 1.00 12.24 C ATOM 57 O THR A 5 6.311 5.724 -3.473 1.00 43.53 O ATOM 58 CB THR A 5 4.971 8.142 -2.337 1.00 24.40 C ATOM 59 OG1 THR A 5 5.288 9.490 -2.044 1.00 32.44 O ATOM 60 CG2 THR A 5 3.503 7.916 -1.959 1.00 20.22 C ATOM 0 H THR A 5 7.821 7.510 -2.196 1.00 73.34 H new ATOM 0 HA THR A 5 5.378 7.017 -0.616 1.00 11.52 H new ATOM 0 HB THR A 5 5.144 7.969 -3.399 1.00 24.40 H new ATOM 0 HG1 THR A 5 4.693 10.083 -2.548 1.00 32.44 H new ATOM 0 HG21 THR A 5 2.876 8.629 -2.494 1.00 20.22 H new ATOM 0 HG22 THR A 5 3.210 6.901 -2.228 1.00 20.22 H new ATOM 0 HG23 THR A 5 3.378 8.057 -0.885 1.00 20.22 H new ATOM 68 N ILE A 6 5.656 4.723 -1.563 1.00 31.33 N ATOM 69 CA ILE A 6 5.227 3.476 -2.172 1.00 24.13 C ATOM 70 C ILE A 6 3.710 3.635 -2.347 1.00 14.40 C ATOM 71 O ILE A 6 3.034 4.264 -1.526 1.00 24.13 O ATOM 72 CB ILE A 6 5.642 2.253 -1.313 1.00 61.13 C ATOM 73 CG1 ILE A 6 7.148 2.288 -0.964 1.00 14.34 C ATOM 74 CG2 ILE A 6 5.275 0.936 -2.017 1.00 43.32 C ATOM 75 CD1 ILE A 6 7.599 1.104 -0.106 1.00 40.22 C ATOM 0 H ILE A 6 5.707 4.697 -0.545 1.00 31.33 H new ATOM 0 HA ILE A 6 5.703 3.282 -3.133 1.00 24.13 H new ATOM 0 HB ILE A 6 5.085 2.307 -0.377 1.00 61.13 H new ATOM 0 HG12 ILE A 6 7.727 2.300 -1.887 1.00 14.34 H new ATOM 0 HG13 ILE A 6 7.370 3.215 -0.436 1.00 14.34 H new ATOM 0 HG21 ILE A 6 5.577 0.094 -1.394 1.00 43.32 H new ATOM 0 HG22 ILE A 6 4.198 0.899 -2.181 1.00 43.32 H new ATOM 0 HG23 ILE A 6 5.790 0.880 -2.976 1.00 43.32 H new ATOM 0 HD11 ILE A 6 8.665 1.191 0.102 1.00 40.22 H new ATOM 0 HD12 ILE A 6 7.045 1.103 0.833 1.00 40.22 H new ATOM 0 HD13 ILE A 6 7.408 0.174 -0.641 1.00 40.22 H new ATOM 87 N ILE A 7 3.164 3.104 -3.431 1.00 74.21 N ATOM 88 CA ILE A 7 1.736 3.065 -3.732 1.00 0.53 C ATOM 89 C ILE A 7 1.355 1.603 -3.907 1.00 55.35 C ATOM 90 O ILE A 7 2.197 0.786 -4.270 1.00 51.13 O ATOM 91 CB ILE A 7 1.415 3.973 -4.950 1.00 33.03 C ATOM 92 CG1 ILE A 7 1.896 5.412 -4.698 1.00 52.44 C ATOM 93 CG2 ILE A 7 -0.067 4.024 -5.361 1.00 54.32 C ATOM 94 CD1 ILE A 7 3.265 5.708 -5.290 1.00 51.54 C ATOM 0 H ILE A 7 3.729 2.668 -4.160 1.00 74.21 H new ATOM 0 HA ILE A 7 1.129 3.473 -2.924 1.00 0.53 H new ATOM 0 HB ILE A 7 1.953 3.507 -5.776 1.00 33.03 H new ATOM 0 HG12 ILE A 7 1.170 6.108 -5.118 1.00 52.44 H new ATOM 0 HG13 ILE A 7 1.927 5.593 -3.624 1.00 52.44 H new ATOM 0 HG21 ILE A 7 -0.184 4.685 -6.220 1.00 54.32 H new ATOM 0 HG22 ILE A 7 -0.406 3.022 -5.625 1.00 54.32 H new ATOM 0 HG23 ILE A 7 -0.662 4.401 -4.530 1.00 54.32 H new ATOM 0 HD11 ILE A 7 3.540 6.740 -5.073 1.00 51.54 H new ATOM 0 HD12 ILE A 7 4.004 5.037 -4.852 1.00 51.54 H new ATOM 0 HD13 ILE A 7 3.234 5.559 -6.369 1.00 51.54 H new ATOM 106 N LEU A 8 0.093 1.274 -3.645 1.00 43.24 N ATOM 107 CA LEU A 8 -0.465 -0.038 -3.902 1.00 71.43 C ATOM 108 C LEU A 8 -1.598 0.111 -4.899 1.00 53.35 C ATOM 109 O LEU A 8 -2.277 1.141 -4.928 1.00 43.32 O ATOM 110 CB LEU A 8 -1.000 -0.676 -2.619 1.00 55.15 C ATOM 111 CG LEU A 8 0.010 -0.931 -1.491 1.00 40.23 C ATOM 112 CD1 LEU A 8 -0.774 -1.639 -0.385 1.00 33.24 C ATOM 113 CD2 LEU A 8 1.205 -1.795 -1.905 1.00 4.31 C ATOM 0 H LEU A 8 -0.577 1.928 -3.241 1.00 43.24 H new ATOM 0 HA LEU A 8 0.319 -0.684 -4.297 1.00 71.43 H new ATOM 0 HB2 LEU A 8 -1.790 -0.036 -2.227 1.00 55.15 H new ATOM 0 HB3 LEU A 8 -1.461 -1.628 -2.882 1.00 55.15 H new ATOM 0 HG LEU A 8 0.441 0.020 -1.180 1.00 40.23 H new ATOM 0 HD11 LEU A 8 -0.110 -1.851 0.453 1.00 33.24 H new ATOM 0 HD12 LEU A 8 -1.589 -0.998 -0.049 1.00 33.24 H new ATOM 0 HD13 LEU A 8 -1.182 -2.574 -0.770 1.00 33.24 H new ATOM 0 HD21 LEU A 8 1.871 -1.928 -1.052 1.00 4.31 H new ATOM 0 HD22 LEU A 8 0.850 -2.768 -2.244 1.00 4.31 H new ATOM 0 HD23 LEU A 8 1.746 -1.304 -2.714 1.00 4.31 H new ATOM 125 N ARG A 9 -1.883 -0.951 -5.651 1.00 3.33 N ATOM 126 CA ARG A 9 -2.954 -0.985 -6.652 1.00 60.14 C ATOM 127 C ARG A 9 -3.729 -2.285 -6.519 1.00 41.52 C ATOM 128 O ARG A 9 -3.222 -3.222 -5.902 1.00 2.32 O ATOM 129 CB ARG A 9 -2.426 -0.846 -8.098 1.00 32.43 C ATOM 130 CG ARG A 9 -1.193 0.057 -8.296 1.00 14.34 C ATOM 131 CD ARG A 9 -0.676 0.093 -9.747 1.00 3.23 C ATOM 132 NE ARG A 9 -1.704 0.527 -10.709 1.00 4.20 N ATOM 133 CZ ARG A 9 -2.559 -0.263 -11.373 1.00 61.31 C ATOM 134 NH1 ARG A 9 -2.427 -1.588 -11.359 1.00 73.32 N ATOM 135 NH2 ARG A 9 -3.585 0.289 -12.006 1.00 33.41 N ATOM 0 H ARG A 9 -1.368 -1.829 -5.582 1.00 3.33 H new ATOM 0 HA ARG A 9 -3.602 -0.129 -6.461 1.00 60.14 H new ATOM 0 HB2 ARG A 9 -2.183 -1.841 -8.470 1.00 32.43 H new ATOM 0 HB3 ARG A 9 -3.234 -0.462 -8.721 1.00 32.43 H new ATOM 0 HG2 ARG A 9 -1.443 1.071 -7.984 1.00 14.34 H new ATOM 0 HG3 ARG A 9 -0.392 -0.289 -7.643 1.00 14.34 H new ATOM 0 HD2 ARG A 9 0.179 0.767 -9.807 1.00 3.23 H new ATOM 0 HD3 ARG A 9 -0.320 -0.899 -10.026 1.00 3.23 H new ATOM 0 HE ARG A 9 -1.772 1.529 -10.888 1.00 4.20 H new ATOM 0 HH11 ARG A 9 -1.665 -2.019 -10.836 1.00 73.32 H new ATOM 0 HH12 ARG A 9 -3.088 -2.172 -11.871 1.00 73.32 H new ATOM 0 HH21 ARG A 9 -3.714 1.301 -11.983 1.00 33.41 H new ATOM 0 HH22 ARG A 9 -4.245 -0.298 -12.516 1.00 33.41 H new ATOM 149 N ASN A 10 -4.906 -2.347 -7.146 1.00 14.43 N ATOM 150 CA ASN A 10 -5.803 -3.502 -7.139 1.00 72.32 C ATOM 151 C ASN A 10 -6.333 -3.791 -5.730 1.00 52.34 C ATOM 152 O ASN A 10 -6.385 -4.928 -5.266 1.00 54.40 O ATOM 153 CB ASN A 10 -5.142 -4.725 -7.796 1.00 62.43 C ATOM 154 CG ASN A 10 -6.137 -5.861 -7.992 1.00 13.12 C ATOM 155 OD1 ASN A 10 -7.335 -5.631 -8.148 1.00 14.14 O ATOM 156 ND2 ASN A 10 -5.653 -7.090 -7.992 1.00 35.31 N ATOM 0 H ASN A 10 -5.272 -1.567 -7.691 1.00 14.43 H new ATOM 0 HA ASN A 10 -6.674 -3.260 -7.747 1.00 72.32 H new ATOM 0 HB2 ASN A 10 -4.721 -4.438 -8.760 1.00 62.43 H new ATOM 0 HB3 ASN A 10 -4.314 -5.069 -7.176 1.00 62.43 H new ATOM 0 HD21 ASN A 10 -6.279 -7.885 -8.124 1.00 35.31 H new ATOM 0 HD22 ASN A 10 -4.653 -7.244 -7.860 1.00 35.31 H new ATOM 163 N LEU A 11 -6.687 -2.741 -4.992 1.00 33.12 N ATOM 164 CA LEU A 11 -7.304 -2.885 -3.691 1.00 22.32 C ATOM 165 C LEU A 11 -8.778 -3.151 -3.983 1.00 14.02 C ATOM 166 O LEU A 11 -9.422 -2.353 -4.668 1.00 2.24 O ATOM 167 CB LEU A 11 -7.117 -1.607 -2.864 1.00 52.10 C ATOM 168 CG LEU A 11 -5.676 -1.169 -2.515 1.00 31.44 C ATOM 169 CD1 LEU A 11 -5.163 -1.813 -1.235 1.00 52.20 C ATOM 170 CD2 LEU A 11 -4.593 -1.354 -3.559 1.00 64.11 C ATOM 0 H LEU A 11 -6.552 -1.773 -5.284 1.00 33.12 H new ATOM 0 HA LEU A 11 -6.861 -3.690 -3.106 1.00 22.32 H new ATOM 0 HB2 LEU A 11 -7.593 -0.788 -3.404 1.00 52.10 H new ATOM 0 HB3 LEU A 11 -7.663 -1.732 -1.929 1.00 52.10 H new ATOM 0 HG LEU A 11 -5.831 -0.094 -2.420 1.00 31.44 H new ATOM 0 HD11 LEU A 11 -4.147 -1.471 -1.037 1.00 52.20 H new ATOM 0 HD12 LEU A 11 -5.809 -1.533 -0.403 1.00 52.20 H new ATOM 0 HD13 LEU A 11 -5.165 -2.897 -1.347 1.00 52.20 H new ATOM 0 HD21 LEU A 11 -3.641 -1.000 -3.163 1.00 64.11 H new ATOM 0 HD22 LEU A 11 -4.509 -2.411 -3.813 1.00 64.11 H new ATOM 0 HD23 LEU A 11 -4.848 -0.785 -4.453 1.00 64.11 H new ATOM 182 N ASN A 12 -9.311 -4.263 -3.481 1.00 0.15 N ATOM 183 CA ASN A 12 -10.744 -4.536 -3.528 1.00 14.32 C ATOM 184 C ASN A 12 -11.458 -3.495 -2.673 1.00 43.41 C ATOM 185 O ASN A 12 -10.859 -2.946 -1.739 1.00 3.31 O ATOM 186 CB ASN A 12 -11.046 -5.966 -3.039 1.00 14.35 C ATOM 187 CG ASN A 12 -11.385 -6.908 -4.187 1.00 41.00 C ATOM 188 OD1 ASN A 12 -10.885 -6.779 -5.301 1.00 14.33 O ATOM 189 ND2 ASN A 12 -12.188 -7.913 -3.926 1.00 64.24 N ATOM 0 H ASN A 12 -8.763 -4.997 -3.032 1.00 0.15 H new ATOM 0 HA ASN A 12 -11.102 -4.471 -4.555 1.00 14.32 H new ATOM 0 HB2 ASN A 12 -10.183 -6.353 -2.497 1.00 14.35 H new ATOM 0 HB3 ASN A 12 -11.878 -5.939 -2.336 1.00 14.35 H new ATOM 0 HD21 ASN A 12 -12.402 -8.597 -4.652 1.00 64.24 H new ATOM 0 HD22 ASN A 12 -12.598 -8.010 -2.997 1.00 64.24 H new ATOM 196 N PRO A 13 -12.748 -3.256 -2.931 1.00 11.34 N ATOM 197 CA PRO A 13 -13.471 -2.187 -2.268 1.00 75.51 C ATOM 198 C PRO A 13 -13.695 -2.530 -0.791 1.00 32.23 C ATOM 199 O PRO A 13 -13.632 -1.641 0.051 1.00 44.34 O ATOM 200 CB PRO A 13 -14.759 -2.054 -3.077 1.00 53.00 C ATOM 201 CG PRO A 13 -15.015 -3.458 -3.604 1.00 34.24 C ATOM 202 CD PRO A 13 -13.617 -4.001 -3.836 1.00 3.41 C ATOM 0 HA PRO A 13 -12.937 -1.237 -2.243 1.00 75.51 H new ATOM 0 HB2 PRO A 13 -15.585 -1.705 -2.457 1.00 53.00 H new ATOM 0 HB3 PRO A 13 -14.646 -1.338 -3.891 1.00 53.00 H new ATOM 0 HG2 PRO A 13 -15.568 -4.063 -2.886 1.00 34.24 H new ATOM 0 HG3 PRO A 13 -15.599 -3.443 -4.524 1.00 34.24 H new ATOM 0 HD2 PRO A 13 -13.573 -5.070 -3.629 1.00 3.41 H new ATOM 0 HD3 PRO A 13 -13.311 -3.864 -4.873 1.00 3.41 H new ATOM 210 N HIS A 14 -13.869 -3.821 -0.475 1.00 13.01 N ATOM 211 CA HIS A 14 -14.028 -4.347 0.878 1.00 14.02 C ATOM 212 C HIS A 14 -12.753 -4.299 1.714 1.00 41.32 C ATOM 213 O HIS A 14 -12.803 -4.505 2.929 1.00 22.24 O ATOM 214 CB HIS A 14 -14.429 -5.827 0.798 1.00 3.34 C ATOM 215 CG HIS A 14 -15.677 -6.112 0.017 1.00 40.44 C ATOM 216 ND1 HIS A 14 -15.938 -7.272 -0.671 1.00 43.14 N ATOM 217 CD2 HIS A 14 -16.769 -5.295 -0.104 1.00 32.52 C ATOM 218 CE1 HIS A 14 -17.172 -7.162 -1.177 1.00 64.54 C ATOM 219 NE2 HIS A 14 -17.719 -5.977 -0.864 1.00 2.32 N ATOM 0 H HIS A 14 -13.903 -4.551 -1.186 1.00 13.01 H new ATOM 0 HA HIS A 14 -14.781 -3.717 1.352 1.00 14.02 H new ATOM 0 HB2 HIS A 14 -13.606 -6.386 0.353 1.00 3.34 H new ATOM 0 HB3 HIS A 14 -14.560 -6.206 1.812 1.00 3.34 H new ATOM 0 HD2 HIS A 14 -16.875 -4.304 0.313 1.00 32.52 H new ATOM 0 HE1 HIS A 14 -17.663 -7.926 -1.761 1.00 64.54 H new ATOM 0 HE2 HIS A 14 -18.645 -5.642 -1.129 1.00 2.32 H new ATOM 227 N SER A 15 -11.594 -4.131 1.074 1.00 42.22 N ATOM 228 CA SER A 15 -10.342 -4.120 1.801 1.00 71.40 C ATOM 229 C SER A 15 -10.305 -2.902 2.714 1.00 40.02 C ATOM 230 O SER A 15 -11.004 -1.914 2.486 1.00 31.21 O ATOM 231 CB SER A 15 -9.186 -4.161 0.810 1.00 2.22 C ATOM 232 OG SER A 15 -9.374 -5.278 -0.042 1.00 23.15 O ATOM 0 H SER A 15 -11.505 -4.003 0.066 1.00 42.22 H new ATOM 0 HA SER A 15 -10.248 -5.000 2.437 1.00 71.40 H new ATOM 0 HB2 SER A 15 -9.151 -3.240 0.228 1.00 2.22 H new ATOM 0 HB3 SER A 15 -8.235 -4.241 1.337 1.00 2.22 H new ATOM 0 HG SER A 15 -9.387 -6.099 0.493 1.00 23.15 H new ATOM 238 N THR A 16 -9.474 -2.965 3.743 1.00 71.44 N ATOM 239 CA THR A 16 -9.333 -1.929 4.735 1.00 13.31 C ATOM 240 C THR A 16 -7.831 -1.779 4.923 1.00 63.41 C ATOM 241 O THR A 16 -7.067 -2.704 4.625 1.00 4.43 O ATOM 242 CB THR A 16 -10.115 -2.248 6.035 1.00 50.32 C ATOM 243 OG1 THR A 16 -9.412 -3.058 6.949 1.00 21.42 O ATOM 244 CG2 THR A 16 -11.443 -2.961 5.784 1.00 14.32 C ATOM 0 H THR A 16 -8.864 -3.766 3.909 1.00 71.44 H new ATOM 0 HA THR A 16 -9.774 -0.983 4.421 1.00 13.31 H new ATOM 0 HB THR A 16 -10.274 -1.255 6.456 1.00 50.32 H new ATOM 0 HG1 THR A 16 -9.967 -3.214 7.742 1.00 21.42 H new ATOM 0 HG21 THR A 16 -11.938 -3.154 6.736 1.00 14.32 H new ATOM 0 HG22 THR A 16 -12.082 -2.332 5.164 1.00 14.32 H new ATOM 0 HG23 THR A 16 -11.258 -3.906 5.273 1.00 14.32 H new ATOM 252 N MET A 17 -7.417 -0.629 5.436 1.00 72.23 N ATOM 253 CA MET A 17 -6.049 -0.336 5.768 1.00 64.22 C ATOM 254 C MET A 17 -5.606 -1.403 6.748 1.00 54.03 C ATOM 255 O MET A 17 -4.613 -2.048 6.486 1.00 12.04 O ATOM 256 CB MET A 17 -5.980 1.069 6.359 1.00 64.50 C ATOM 257 CG MET A 17 -4.574 1.438 6.823 1.00 5.14 C ATOM 258 SD MET A 17 -4.464 3.097 7.533 1.00 11.32 S ATOM 259 CE MET A 17 -5.597 2.886 8.930 1.00 43.30 C ATOM 0 H MET A 17 -8.052 0.144 5.635 1.00 72.23 H new ATOM 0 HA MET A 17 -5.387 -0.350 4.902 1.00 64.22 H new ATOM 0 HB2 MET A 17 -6.314 1.790 5.613 1.00 64.50 H new ATOM 0 HB3 MET A 17 -6.668 1.140 7.202 1.00 64.50 H new ATOM 0 HG2 MET A 17 -4.242 0.711 7.564 1.00 5.14 H new ATOM 0 HG3 MET A 17 -3.890 1.367 5.977 1.00 5.14 H new ATOM 0 HE1 MET A 17 -5.461 3.706 9.636 1.00 43.30 H new ATOM 0 HE2 MET A 17 -6.625 2.886 8.568 1.00 43.30 H new ATOM 0 HE3 MET A 17 -5.388 1.940 9.429 1.00 43.30 H new ATOM 269 N ASP A 18 -6.372 -1.636 7.811 1.00 2.33 N ATOM 270 CA ASP A 18 -5.992 -2.517 8.905 1.00 74.32 C ATOM 271 C ASP A 18 -5.965 -3.995 8.489 1.00 12.15 C ATOM 272 O ASP A 18 -5.061 -4.734 8.872 1.00 3.33 O ATOM 273 CB ASP A 18 -6.958 -2.285 10.067 1.00 61.11 C ATOM 274 CG ASP A 18 -6.258 -2.333 11.422 1.00 70.43 C ATOM 275 OD1 ASP A 18 -5.161 -2.921 11.537 1.00 45.21 O ATOM 276 OD2 ASP A 18 -6.825 -1.790 12.397 1.00 11.33 O ATOM 0 H ASP A 18 -7.290 -1.209 7.936 1.00 2.33 H new ATOM 0 HA ASP A 18 -4.973 -2.278 9.211 1.00 74.32 H new ATOM 0 HB2 ASP A 18 -7.443 -1.316 9.945 1.00 61.11 H new ATOM 0 HB3 ASP A 18 -7.743 -3.040 10.040 1.00 61.11 H new ATOM 281 N SER A 19 -6.909 -4.419 7.638 1.00 21.32 N ATOM 282 CA SER A 19 -6.892 -5.741 7.013 1.00 25.43 C ATOM 283 C SER A 19 -5.588 -5.941 6.245 1.00 54.11 C ATOM 284 O SER A 19 -4.914 -6.953 6.431 1.00 30.55 O ATOM 285 CB SER A 19 -8.075 -5.927 6.048 1.00 74.34 C ATOM 286 OG SER A 19 -9.131 -6.670 6.623 1.00 41.02 O ATOM 0 H SER A 19 -7.709 -3.848 7.365 1.00 21.32 H new ATOM 0 HA SER A 19 -6.975 -6.480 7.810 1.00 25.43 H new ATOM 0 HB2 SER A 19 -8.447 -4.949 5.742 1.00 74.34 H new ATOM 0 HB3 SER A 19 -7.728 -6.432 5.147 1.00 74.34 H new ATOM 0 HG SER A 19 -9.859 -6.760 5.973 1.00 41.02 H new ATOM 292 N ILE A 20 -5.257 -5.018 5.340 1.00 65.43 N ATOM 293 CA ILE A 20 -4.060 -5.159 4.520 1.00 52.12 C ATOM 294 C ILE A 20 -2.834 -4.973 5.422 1.00 22.33 C ATOM 295 O ILE A 20 -1.825 -5.634 5.200 1.00 43.15 O ATOM 296 CB ILE A 20 -4.080 -4.164 3.343 1.00 5.10 C ATOM 297 CG1 ILE A 20 -5.355 -4.297 2.481 1.00 45.34 C ATOM 298 CG2 ILE A 20 -2.874 -4.384 2.406 1.00 70.43 C ATOM 299 CD1 ILE A 20 -5.628 -2.966 1.789 1.00 22.43 C ATOM 0 H ILE A 20 -5.798 -4.173 5.160 1.00 65.43 H new ATOM 0 HA ILE A 20 -4.020 -6.153 4.074 1.00 52.12 H new ATOM 0 HB ILE A 20 -4.045 -3.174 3.798 1.00 5.10 H new ATOM 0 HG12 ILE A 20 -5.228 -5.087 1.741 1.00 45.34 H new ATOM 0 HG13 ILE A 20 -6.204 -4.578 3.105 1.00 45.34 H new ATOM 0 HG21 ILE A 20 -2.915 -3.668 1.585 1.00 70.43 H new ATOM 0 HG22 ILE A 20 -1.949 -4.243 2.965 1.00 70.43 H new ATOM 0 HG23 ILE A 20 -2.905 -5.397 2.005 1.00 70.43 H new ATOM 0 HD11 ILE A 20 -6.527 -3.051 1.178 1.00 22.43 H new ATOM 0 HD12 ILE A 20 -5.772 -2.189 2.539 1.00 22.43 H new ATOM 0 HD13 ILE A 20 -4.781 -2.706 1.154 1.00 22.43 H new ATOM 311 N LEU A 21 -2.893 -4.110 6.440 1.00 65.11 N ATOM 312 CA LEU A 21 -1.762 -3.917 7.350 1.00 72.44 C ATOM 313 C LEU A 21 -1.421 -5.194 8.100 1.00 30.02 C ATOM 314 O LEU A 21 -0.243 -5.412 8.353 1.00 50.32 O ATOM 315 CB LEU A 21 -2.035 -2.825 8.397 1.00 41.23 C ATOM 316 CG LEU A 21 -1.784 -1.381 7.942 1.00 4.24 C ATOM 317 CD1 LEU A 21 -2.222 -0.424 9.052 1.00 24.03 C ATOM 318 CD2 LEU A 21 -0.306 -1.130 7.649 1.00 22.14 C ATOM 0 H LEU A 21 -3.709 -3.536 6.654 1.00 65.11 H new ATOM 0 HA LEU A 21 -0.929 -3.616 6.715 1.00 72.44 H new ATOM 0 HB2 LEU A 21 -3.073 -2.909 8.718 1.00 41.23 H new ATOM 0 HB3 LEU A 21 -1.414 -3.023 9.271 1.00 41.23 H new ATOM 0 HG LEU A 21 -2.354 -1.215 7.028 1.00 4.24 H new ATOM 0 HD11 LEU A 21 -2.047 0.604 8.736 1.00 24.03 H new ATOM 0 HD12 LEU A 21 -3.283 -0.565 9.256 1.00 24.03 H new ATOM 0 HD13 LEU A 21 -1.648 -0.629 9.956 1.00 24.03 H new ATOM 0 HD21 LEU A 21 -0.169 -0.097 7.330 1.00 22.14 H new ATOM 0 HD22 LEU A 21 0.280 -1.312 8.550 1.00 22.14 H new ATOM 0 HD23 LEU A 21 0.027 -1.802 6.858 1.00 22.14 H new ATOM 330 N GLY A 22 -2.411 -6.019 8.445 1.00 71.14 N ATOM 331 CA GLY A 22 -2.156 -7.267 9.148 1.00 71.04 C ATOM 332 C GLY A 22 -1.806 -8.424 8.221 1.00 44.42 C ATOM 333 O GLY A 22 -1.158 -9.370 8.667 1.00 33.02 O ATOM 0 H GLY A 22 -3.396 -5.841 8.247 1.00 71.14 H new ATOM 0 HA2 GLY A 22 -1.339 -7.117 9.854 1.00 71.04 H new ATOM 0 HA3 GLY A 22 -3.037 -7.533 9.732 1.00 71.04 H new ATOM 337 N ALA A 23 -2.248 -8.387 6.962 1.00 21.41 N ATOM 338 CA ALA A 23 -2.199 -9.545 6.070 1.00 74.45 C ATOM 339 C ALA A 23 -1.193 -9.403 4.928 1.00 65.01 C ATOM 340 O ALA A 23 -0.797 -10.409 4.340 1.00 70.03 O ATOM 341 CB ALA A 23 -3.594 -9.803 5.515 1.00 63.04 C ATOM 0 H ALA A 23 -2.650 -7.553 6.533 1.00 21.41 H new ATOM 0 HA ALA A 23 -1.854 -10.392 6.664 1.00 74.45 H new ATOM 0 HB1 ALA A 23 -3.567 -10.665 4.849 1.00 63.04 H new ATOM 0 HB2 ALA A 23 -4.282 -10.001 6.337 1.00 63.04 H new ATOM 0 HB3 ALA A 23 -3.933 -8.927 4.962 1.00 63.04 H new ATOM 347 N LEU A 24 -0.730 -8.188 4.638 1.00 53.25 N ATOM 348 CA LEU A 24 0.324 -7.904 3.666 1.00 10.20 C ATOM 349 C LEU A 24 1.567 -7.430 4.425 1.00 23.21 C ATOM 350 O LEU A 24 2.226 -6.475 4.016 1.00 3.41 O ATOM 351 CB LEU A 24 -0.207 -6.873 2.648 1.00 10.33 C ATOM 352 CG LEU A 24 0.658 -6.637 1.388 1.00 22.34 C ATOM 353 CD1 LEU A 24 0.831 -7.908 0.551 1.00 74.31 C ATOM 354 CD2 LEU A 24 -0.001 -5.561 0.516 1.00 44.41 C ATOM 0 H LEU A 24 -1.090 -7.347 5.088 1.00 53.25 H new ATOM 0 HA LEU A 24 0.611 -8.790 3.100 1.00 10.20 H new ATOM 0 HB2 LEU A 24 -1.199 -7.191 2.326 1.00 10.33 H new ATOM 0 HB3 LEU A 24 -0.329 -5.919 3.161 1.00 10.33 H new ATOM 0 HG LEU A 24 1.645 -6.321 1.726 1.00 22.34 H new ATOM 0 HD11 LEU A 24 1.446 -7.688 -0.322 1.00 74.31 H new ATOM 0 HD12 LEU A 24 1.316 -8.677 1.153 1.00 74.31 H new ATOM 0 HD13 LEU A 24 -0.146 -8.265 0.226 1.00 74.31 H new ATOM 0 HD21 LEU A 24 0.606 -5.392 -0.373 1.00 44.41 H new ATOM 0 HD22 LEU A 24 -0.996 -5.893 0.219 1.00 44.41 H new ATOM 0 HD23 LEU A 24 -0.082 -4.633 1.082 1.00 44.41 H new ATOM 366 N ALA A 25 1.873 -8.051 5.570 1.00 30.34 N ATOM 367 CA ALA A 25 2.962 -7.618 6.434 1.00 25.32 C ATOM 368 C ALA A 25 3.811 -8.779 6.973 1.00 51.43 C ATOM 369 O ALA A 25 4.083 -8.818 8.174 1.00 23.03 O ATOM 370 CB ALA A 25 2.318 -6.836 7.568 1.00 71.24 C ATOM 0 H ALA A 25 1.369 -8.867 5.918 1.00 30.34 H new ATOM 0 HA ALA A 25 3.663 -7.008 5.864 1.00 25.32 H new ATOM 0 HB1 ALA A 25 3.090 -6.484 8.252 1.00 71.24 H new ATOM 0 HB2 ALA A 25 1.778 -5.982 7.160 1.00 71.24 H new ATOM 0 HB3 ALA A 25 1.623 -7.481 8.106 1.00 71.24 H new ATOM 376 N PRO A 26 4.349 -9.670 6.121 1.00 50.34 N ATOM 377 CA PRO A 26 5.376 -10.600 6.553 1.00 4.13 C ATOM 378 C PRO A 26 6.718 -9.893 6.792 1.00 25.30 C ATOM 379 O PRO A 26 7.459 -10.295 7.691 1.00 63.12 O ATOM 380 CB PRO A 26 5.450 -11.644 5.441 1.00 11.50 C ATOM 381 CG PRO A 26 5.003 -10.898 4.186 1.00 23.13 C ATOM 382 CD PRO A 26 3.971 -9.927 4.737 1.00 42.43 C ATOM 0 HA PRO A 26 5.139 -11.060 7.512 1.00 4.13 H new ATOM 0 HB2 PRO A 26 6.461 -12.036 5.331 1.00 11.50 H new ATOM 0 HB3 PRO A 26 4.800 -12.494 5.650 1.00 11.50 H new ATOM 0 HG2 PRO A 26 5.832 -10.380 3.704 1.00 23.13 H new ATOM 0 HG3 PRO A 26 4.573 -11.571 3.444 1.00 23.13 H new ATOM 0 HD2 PRO A 26 3.959 -9.003 4.159 1.00 42.43 H new ATOM 0 HD3 PRO A 26 2.969 -10.351 4.680 1.00 42.43 H new ATOM 390 N TYR A 27 7.034 -8.843 6.023 1.00 23.14 N ATOM 391 CA TYR A 27 8.374 -8.260 5.942 1.00 52.21 C ATOM 392 C TYR A 27 8.388 -6.773 6.304 1.00 33.21 C ATOM 393 O TYR A 27 9.439 -6.267 6.697 1.00 52.55 O ATOM 394 CB TYR A 27 8.967 -8.507 4.548 1.00 30.41 C ATOM 395 CG TYR A 27 8.900 -9.954 4.083 1.00 53.54 C ATOM 396 CD1 TYR A 27 9.443 -10.997 4.860 1.00 5.52 C ATOM 397 CD2 TYR A 27 8.202 -10.260 2.903 1.00 65.23 C ATOM 398 CE1 TYR A 27 9.269 -12.337 4.469 1.00 64.44 C ATOM 399 CE2 TYR A 27 7.977 -11.595 2.534 1.00 52.45 C ATOM 400 CZ TYR A 27 8.515 -12.640 3.310 1.00 65.11 C ATOM 401 OH TYR A 27 8.280 -13.924 2.929 1.00 23.24 O ATOM 0 H TYR A 27 6.352 -8.369 5.431 1.00 23.14 H new ATOM 0 HA TYR A 27 9.000 -8.756 6.684 1.00 52.21 H new ATOM 0 HB2 TYR A 27 8.441 -7.882 3.827 1.00 30.41 H new ATOM 0 HB3 TYR A 27 10.009 -8.186 4.548 1.00 30.41 H new ATOM 0 HD1 TYR A 27 9.995 -10.766 5.759 1.00 5.52 H new ATOM 0 HD2 TYR A 27 7.836 -9.461 2.275 1.00 65.23 H new ATOM 0 HE1 TYR A 27 9.710 -13.133 5.052 1.00 64.44 H new ATOM 0 HE2 TYR A 27 7.391 -11.821 1.655 1.00 52.45 H new ATOM 0 HH TYR A 27 7.743 -13.929 2.109 1.00 23.24 H new ATOM 411 N ALA A 28 7.265 -6.061 6.172 1.00 61.25 N ATOM 412 CA ALA A 28 7.099 -4.718 6.717 1.00 63.04 C ATOM 413 C ALA A 28 5.740 -4.610 7.387 1.00 33.10 C ATOM 414 O ALA A 28 4.706 -4.739 6.729 1.00 1.41 O ATOM 415 CB ALA A 28 7.262 -3.662 5.621 1.00 34.42 C ATOM 0 H ALA A 28 6.441 -6.407 5.679 1.00 61.25 H new ATOM 0 HA ALA A 28 7.873 -4.535 7.462 1.00 63.04 H new ATOM 0 HB1 ALA A 28 7.134 -2.669 6.051 1.00 34.42 H new ATOM 0 HB2 ALA A 28 8.257 -3.743 5.183 1.00 34.42 H new ATOM 0 HB3 ALA A 28 6.511 -3.822 4.847 1.00 34.42 H new ATOM 421 N VAL A 29 5.738 -4.358 8.689 1.00 5.42 N ATOM 422 CA VAL A 29 4.559 -4.068 9.483 1.00 30.14 C ATOM 423 C VAL A 29 4.510 -2.537 9.618 1.00 31.42 C ATOM 424 O VAL A 29 5.119 -1.964 10.523 1.00 64.02 O ATOM 425 CB VAL A 29 4.640 -4.823 10.831 1.00 4.51 C ATOM 426 CG1 VAL A 29 3.308 -4.690 11.583 1.00 31.42 C ATOM 427 CG2 VAL A 29 4.967 -6.319 10.685 1.00 62.45 C ATOM 0 H VAL A 29 6.596 -4.351 9.241 1.00 5.42 H new ATOM 0 HA VAL A 29 3.631 -4.411 9.025 1.00 30.14 H new ATOM 0 HB VAL A 29 5.459 -4.362 11.383 1.00 4.51 H new ATOM 0 HG11 VAL A 29 3.371 -5.224 12.531 1.00 31.42 H new ATOM 0 HG12 VAL A 29 3.101 -3.637 11.772 1.00 31.42 H new ATOM 0 HG13 VAL A 29 2.506 -5.115 10.980 1.00 31.42 H new ATOM 0 HG21 VAL A 29 5.007 -6.781 11.672 1.00 62.45 H new ATOM 0 HG22 VAL A 29 4.194 -6.804 10.089 1.00 62.45 H new ATOM 0 HG23 VAL A 29 5.932 -6.434 10.191 1.00 62.45 H new ATOM 437 N LEU A 30 3.858 -1.861 8.672 1.00 32.14 N ATOM 438 CA LEU A 30 3.759 -0.401 8.637 1.00 22.43 C ATOM 439 C LEU A 30 2.870 0.064 9.808 1.00 52.13 C ATOM 440 O LEU A 30 2.188 -0.758 10.436 1.00 73.35 O ATOM 441 CB LEU A 30 3.164 0.059 7.285 1.00 33.42 C ATOM 442 CG LEU A 30 3.722 -0.575 5.986 1.00 45.53 C ATOM 443 CD1 LEU A 30 2.716 -0.367 4.849 1.00 22.43 C ATOM 444 CD2 LEU A 30 5.073 -0.013 5.540 1.00 61.21 C ATOM 0 H LEU A 30 3.377 -2.318 7.897 1.00 32.14 H new ATOM 0 HA LEU A 30 4.750 0.041 8.737 1.00 22.43 H new ATOM 0 HB2 LEU A 30 2.091 -0.129 7.313 1.00 33.42 H new ATOM 0 HB3 LEU A 30 3.297 1.138 7.213 1.00 33.42 H new ATOM 0 HG LEU A 30 3.876 -1.630 6.212 1.00 45.53 H new ATOM 0 HD11 LEU A 30 3.105 -0.812 3.933 1.00 22.43 H new ATOM 0 HD12 LEU A 30 1.770 -0.841 5.109 1.00 22.43 H new ATOM 0 HD13 LEU A 30 2.557 0.700 4.695 1.00 22.43 H new ATOM 0 HD21 LEU A 30 5.390 -0.512 4.624 1.00 61.21 H new ATOM 0 HD22 LEU A 30 4.979 1.057 5.357 1.00 61.21 H new ATOM 0 HD23 LEU A 30 5.814 -0.184 6.321 1.00 61.21 H new ATOM 456 N SER A 31 2.807 1.367 10.093 1.00 53.52 N ATOM 457 CA SER A 31 1.773 1.924 10.970 1.00 12.10 C ATOM 458 C SER A 31 0.642 2.508 10.120 1.00 61.04 C ATOM 459 O SER A 31 0.854 2.912 8.974 1.00 4.42 O ATOM 460 CB SER A 31 2.350 3.016 11.875 1.00 12.33 C ATOM 461 OG SER A 31 3.525 2.598 12.538 1.00 25.22 O ATOM 0 H SER A 31 3.462 2.058 9.728 1.00 53.52 H new ATOM 0 HA SER A 31 1.388 1.123 11.601 1.00 12.10 H new ATOM 0 HB2 SER A 31 2.568 3.902 11.278 1.00 12.33 H new ATOM 0 HB3 SER A 31 1.602 3.305 12.613 1.00 12.33 H new ATOM 0 HG SER A 31 3.859 3.326 13.102 1.00 25.22 H new ATOM 467 N SER A 32 -0.552 2.653 10.696 1.00 45.13 N ATOM 468 CA SER A 32 -1.677 3.301 10.033 1.00 31.22 C ATOM 469 C SER A 32 -1.382 4.755 9.656 1.00 2.13 C ATOM 470 O SER A 32 -1.884 5.229 8.636 1.00 43.32 O ATOM 471 CB SER A 32 -2.908 3.215 10.930 1.00 70.22 C ATOM 472 OG SER A 32 -3.425 1.903 10.923 1.00 45.25 O ATOM 0 H SER A 32 -0.763 2.323 11.638 1.00 45.13 H new ATOM 0 HA SER A 32 -1.862 2.774 9.097 1.00 31.22 H new ATOM 0 HB2 SER A 32 -2.646 3.505 11.948 1.00 70.22 H new ATOM 0 HB3 SER A 32 -3.668 3.915 10.584 1.00 70.22 H new ATOM 0 HG SER A 32 -4.214 1.859 11.503 1.00 45.25 H new ATOM 478 N SER A 33 -0.531 5.463 10.401 1.00 23.42 N ATOM 479 CA SER A 33 -0.110 6.806 10.030 1.00 45.33 C ATOM 480 C SER A 33 0.661 6.838 8.703 1.00 4.21 C ATOM 481 O SER A 33 0.604 7.851 8.006 1.00 44.52 O ATOM 482 CB SER A 33 0.673 7.432 11.166 1.00 24.31 C ATOM 483 OG SER A 33 -0.198 7.770 12.228 1.00 71.14 O ATOM 0 H SER A 33 -0.120 5.121 11.270 1.00 23.42 H new ATOM 0 HA SER A 33 -1.004 7.405 9.858 1.00 45.33 H new ATOM 0 HB2 SER A 33 1.436 6.738 11.518 1.00 24.31 H new ATOM 0 HB3 SER A 33 1.192 8.323 10.813 1.00 24.31 H new ATOM 0 HG SER A 33 0.317 8.172 12.958 1.00 71.14 H new ATOM 489 N ASN A 34 1.333 5.749 8.310 1.00 13.44 N ATOM 490 CA ASN A 34 2.044 5.691 7.035 1.00 30.34 C ATOM 491 C ASN A 34 1.073 5.522 5.869 1.00 54.13 C ATOM 492 O ASN A 34 1.416 5.904 4.747 1.00 12.34 O ATOM 493 CB ASN A 34 3.047 4.522 6.999 1.00 50.12 C ATOM 494 CG ASN A 34 4.113 4.618 8.077 1.00 4.14 C ATOM 495 OD1 ASN A 34 3.900 4.181 9.202 1.00 41.33 O ATOM 496 ND2 ASN A 34 5.233 5.263 7.806 1.00 45.45 N ATOM 0 H ASN A 34 1.397 4.894 8.863 1.00 13.44 H new ATOM 0 HA ASN A 34 2.581 6.635 6.938 1.00 30.34 H new ATOM 0 HB2 ASN A 34 2.506 3.583 7.114 1.00 50.12 H new ATOM 0 HB3 ASN A 34 3.529 4.494 6.022 1.00 50.12 H new ATOM 0 HD21 ASN A 34 5.931 5.402 8.537 1.00 45.45 H new ATOM 0 HD22 ASN A 34 5.400 5.622 6.866 1.00 45.45 H new ATOM 503 N VAL A 35 -0.106 4.924 6.088 1.00 31.43 N ATOM 504 CA VAL A 35 -0.890 4.312 5.019 1.00 34.22 C ATOM 505 C VAL A 35 -2.150 5.133 4.735 1.00 73.22 C ATOM 506 O VAL A 35 -3.090 5.167 5.526 1.00 33.32 O ATOM 507 CB VAL A 35 -1.154 2.821 5.314 1.00 65.35 C ATOM 508 CG1 VAL A 35 -1.868 2.143 4.133 1.00 51.42 C ATOM 509 CG2 VAL A 35 0.173 2.077 5.534 1.00 52.52 C ATOM 0 H VAL A 35 -0.538 4.854 7.010 1.00 31.43 H new ATOM 0 HA VAL A 35 -0.316 4.326 4.093 1.00 34.22 H new ATOM 0 HB VAL A 35 -1.778 2.776 6.207 1.00 65.35 H new ATOM 0 HG11 VAL A 35 -2.042 1.093 4.367 1.00 51.42 H new ATOM 0 HG12 VAL A 35 -2.822 2.637 3.953 1.00 51.42 H new ATOM 0 HG13 VAL A 35 -1.246 2.217 3.241 1.00 51.42 H new ATOM 0 HG21 VAL A 35 -0.029 1.026 5.741 1.00 52.52 H new ATOM 0 HG22 VAL A 35 0.789 2.158 4.638 1.00 52.52 H new ATOM 0 HG23 VAL A 35 0.702 2.518 6.379 1.00 52.52 H new ATOM 519 N ARG A 36 -2.183 5.826 3.598 1.00 4.23 N ATOM 520 CA ARG A 36 -3.318 6.634 3.155 1.00 3.32 C ATOM 521 C ARG A 36 -4.226 5.772 2.282 1.00 53.41 C ATOM 522 O ARG A 36 -3.820 5.368 1.192 1.00 20.25 O ATOM 523 CB ARG A 36 -2.803 7.918 2.462 1.00 74.05 C ATOM 524 CG ARG A 36 -2.875 9.136 3.404 1.00 15.44 C ATOM 525 CD ARG A 36 -4.115 10.006 3.140 1.00 11.34 C ATOM 526 NE ARG A 36 -3.859 11.040 2.122 1.00 23.11 N ATOM 527 CZ ARG A 36 -4.709 12.010 1.757 1.00 32.25 C ATOM 528 NH1 ARG A 36 -5.903 12.122 2.331 1.00 74.43 N ATOM 529 NH2 ARG A 36 -4.371 12.886 0.824 1.00 2.51 N ATOM 0 H ARG A 36 -1.401 5.841 2.943 1.00 4.23 H new ATOM 0 HA ARG A 36 -3.922 6.972 3.997 1.00 3.32 H new ATOM 0 HB2 ARG A 36 -1.774 7.769 2.136 1.00 74.05 H new ATOM 0 HB3 ARG A 36 -3.395 8.113 1.568 1.00 74.05 H new ATOM 0 HG2 ARG A 36 -2.889 8.792 4.438 1.00 15.44 H new ATOM 0 HG3 ARG A 36 -1.977 9.741 3.281 1.00 15.44 H new ATOM 0 HD2 ARG A 36 -4.939 9.372 2.813 1.00 11.34 H new ATOM 0 HD3 ARG A 36 -4.428 10.482 4.069 1.00 11.34 H new ATOM 0 HE ARG A 36 -2.954 11.015 1.653 1.00 23.11 H new ATOM 0 HH11 ARG A 36 -6.182 11.465 3.059 1.00 74.43 H new ATOM 0 HH12 ARG A 36 -6.540 12.865 2.043 1.00 74.43 H new ATOM 0 HH21 ARG A 36 -3.457 12.827 0.376 1.00 2.51 H new ATOM 0 HH22 ARG A 36 -5.025 13.620 0.553 1.00 2.51 H new ATOM 543 N VAL A 37 -5.449 5.490 2.743 1.00 40.44 N ATOM 544 CA VAL A 37 -6.485 4.781 1.986 1.00 21.43 C ATOM 545 C VAL A 37 -7.648 5.758 1.823 1.00 40.12 C ATOM 546 O VAL A 37 -8.288 6.125 2.808 1.00 41.14 O ATOM 547 CB VAL A 37 -6.911 3.470 2.697 1.00 40.21 C ATOM 548 CG1 VAL A 37 -7.909 2.658 1.850 1.00 33.54 C ATOM 549 CG2 VAL A 37 -5.707 2.567 3.000 1.00 63.31 C ATOM 0 H VAL A 37 -5.754 5.756 3.679 1.00 40.44 H new ATOM 0 HA VAL A 37 -6.115 4.468 1.010 1.00 21.43 H new ATOM 0 HB VAL A 37 -7.383 3.780 3.629 1.00 40.21 H new ATOM 0 HG11 VAL A 37 -8.182 1.747 2.383 1.00 33.54 H new ATOM 0 HG12 VAL A 37 -8.803 3.255 1.669 1.00 33.54 H new ATOM 0 HG13 VAL A 37 -7.449 2.396 0.897 1.00 33.54 H new ATOM 0 HG21 VAL A 37 -6.049 1.660 3.498 1.00 63.31 H new ATOM 0 HG22 VAL A 37 -5.207 2.303 2.068 1.00 63.31 H new ATOM 0 HG23 VAL A 37 -5.009 3.096 3.649 1.00 63.31 H new ATOM 559 N ILE A 38 -7.906 6.240 0.605 1.00 22.23 N ATOM 560 CA ILE A 38 -9.060 7.101 0.341 1.00 24.52 C ATOM 561 C ILE A 38 -10.307 6.214 0.329 1.00 62.50 C ATOM 562 O ILE A 38 -10.313 5.211 -0.390 1.00 62.40 O ATOM 563 CB ILE A 38 -8.924 7.850 -1.004 1.00 55.30 C ATOM 564 CG1 ILE A 38 -7.545 8.518 -1.213 1.00 2.15 C ATOM 565 CG2 ILE A 38 -10.065 8.885 -1.078 1.00 43.32 C ATOM 566 CD1 ILE A 38 -7.390 9.110 -2.619 1.00 12.02 C ATOM 0 H ILE A 38 -7.330 6.048 -0.215 1.00 22.23 H new ATOM 0 HA ILE A 38 -9.129 7.862 1.118 1.00 24.52 H new ATOM 0 HB ILE A 38 -8.999 7.123 -1.812 1.00 55.30 H new ATOM 0 HG12 ILE A 38 -7.410 9.307 -0.473 1.00 2.15 H new ATOM 0 HG13 ILE A 38 -6.758 7.783 -1.042 1.00 2.15 H new ATOM 0 HG21 ILE A 38 -9.999 9.433 -2.018 1.00 43.32 H new ATOM 0 HG22 ILE A 38 -11.025 8.372 -1.024 1.00 43.32 H new ATOM 0 HG23 ILE A 38 -9.979 9.582 -0.245 1.00 43.32 H new ATOM 0 HD11 ILE A 38 -6.405 9.567 -2.715 1.00 12.02 H new ATOM 0 HD12 ILE A 38 -7.496 8.318 -3.361 1.00 12.02 H new ATOM 0 HD13 ILE A 38 -8.158 9.866 -2.782 1.00 12.02 H new ATOM 578 N LYS A 39 -11.350 6.575 1.084 1.00 53.04 N ATOM 579 CA LYS A 39 -12.651 5.943 1.110 1.00 12.44 C ATOM 580 C LYS A 39 -13.681 6.892 0.504 1.00 13.42 C ATOM 581 O LYS A 39 -13.574 8.105 0.721 1.00 3.32 O ATOM 582 CB LYS A 39 -13.019 5.721 2.574 1.00 2.45 C ATOM 583 CG LYS A 39 -12.027 4.943 3.449 1.00 21.52 C ATOM 584 CD LYS A 39 -11.737 3.532 2.939 1.00 52.10 C ATOM 585 CE LYS A 39 -11.005 2.698 4.003 1.00 21.54 C ATOM 586 NZ LYS A 39 -11.919 2.129 5.020 1.00 54.23 N ATOM 0 H LYS A 39 -11.294 7.364 1.728 1.00 53.04 H new ATOM 0 HA LYS A 39 -12.634 5.007 0.552 1.00 12.44 H new ATOM 0 HB2 LYS A 39 -13.176 6.698 3.032 1.00 2.45 H new ATOM 0 HB3 LYS A 39 -13.975 5.198 2.604 1.00 2.45 H new ATOM 0 HG2 LYS A 39 -11.091 5.499 3.505 1.00 21.52 H new ATOM 0 HG3 LYS A 39 -12.422 4.880 4.463 1.00 21.52 H new ATOM 0 HD2 LYS A 39 -12.671 3.041 2.667 1.00 52.10 H new ATOM 0 HD3 LYS A 39 -11.131 3.586 2.035 1.00 52.10 H new ATOM 0 HE2 LYS A 39 -10.465 1.888 3.514 1.00 21.54 H new ATOM 0 HE3 LYS A 39 -10.262 3.323 4.499 1.00 21.54 H new ATOM 0 HZ1 LYS A 39 -11.370 1.578 5.710 1.00 54.23 H new ATOM 0 HZ2 LYS A 39 -12.416 2.900 5.510 1.00 54.23 H new ATOM 0 HZ3 LYS A 39 -12.613 1.509 4.555 1.00 54.23 H new ATOM 600 N ASP A 40 -14.694 6.365 -0.176 1.00 12.11 N ATOM 601 CA ASP A 40 -15.769 7.167 -0.761 1.00 4.01 C ATOM 602 C ASP A 40 -16.740 7.664 0.320 1.00 43.23 C ATOM 603 O ASP A 40 -16.566 7.364 1.504 1.00 41.42 O ATOM 604 CB ASP A 40 -16.491 6.314 -1.810 1.00 54.20 C ATOM 605 CG ASP A 40 -17.168 7.133 -2.897 1.00 2.41 C ATOM 606 OD1 ASP A 40 -16.520 7.365 -3.941 1.00 52.24 O ATOM 607 OD2 ASP A 40 -18.324 7.546 -2.674 1.00 12.11 O ATOM 0 H ASP A 40 -14.795 5.363 -0.339 1.00 12.11 H new ATOM 0 HA ASP A 40 -15.350 8.054 -1.237 1.00 4.01 H new ATOM 0 HB2 ASP A 40 -15.773 5.636 -2.271 1.00 54.20 H new ATOM 0 HB3 ASP A 40 -17.239 5.697 -1.312 1.00 54.20 H new ATOM 612 N LYS A 41 -17.795 8.387 -0.062 1.00 14.25 N ATOM 613 CA LYS A 41 -18.886 8.811 0.823 1.00 40.42 C ATOM 614 C LYS A 41 -20.246 8.349 0.317 1.00 60.22 C ATOM 615 O LYS A 41 -21.169 8.163 1.116 1.00 22.23 O ATOM 616 CB LYS A 41 -18.863 10.346 0.974 1.00 74.53 C ATOM 617 CG LYS A 41 -17.868 10.830 2.040 1.00 1.05 C ATOM 618 CD LYS A 41 -18.351 10.562 3.476 1.00 71.53 C ATOM 619 CE LYS A 41 -19.511 11.493 3.867 1.00 61.52 C ATOM 620 NZ LYS A 41 -19.049 12.671 4.623 1.00 15.03 N ATOM 0 H LYS A 41 -17.919 8.704 -1.024 1.00 14.25 H new ATOM 0 HA LYS A 41 -18.730 8.343 1.795 1.00 40.42 H new ATOM 0 HB2 LYS A 41 -18.607 10.796 0.015 1.00 74.53 H new ATOM 0 HB3 LYS A 41 -19.863 10.695 1.233 1.00 74.53 H new ATOM 0 HG2 LYS A 41 -16.909 10.335 1.886 1.00 1.05 H new ATOM 0 HG3 LYS A 41 -17.699 11.899 1.913 1.00 1.05 H new ATOM 0 HD2 LYS A 41 -18.671 9.524 3.565 1.00 71.53 H new ATOM 0 HD3 LYS A 41 -17.523 10.701 4.171 1.00 71.53 H new ATOM 0 HE2 LYS A 41 -20.030 11.822 2.967 1.00 61.52 H new ATOM 0 HE3 LYS A 41 -20.233 10.939 4.467 1.00 61.52 H new ATOM 0 HZ1 LYS A 41 -19.864 13.270 4.865 1.00 15.03 H new ATOM 0 HZ2 LYS A 41 -18.577 12.360 5.496 1.00 15.03 H new ATOM 0 HZ3 LYS A 41 -18.380 13.216 4.042 1.00 15.03 H new ATOM 634 N GLN A 42 -20.387 8.136 -0.984 1.00 11.11 N ATOM 635 CA GLN A 42 -21.570 7.581 -1.589 1.00 13.03 C ATOM 636 C GLN A 42 -21.438 6.074 -1.522 1.00 74.34 C ATOM 637 O GLN A 42 -22.294 5.421 -0.926 1.00 14.05 O ATOM 638 CB GLN A 42 -21.695 8.118 -3.023 1.00 64.22 C ATOM 639 CG GLN A 42 -22.971 8.936 -3.240 1.00 43.32 C ATOM 640 CD GLN A 42 -23.177 10.152 -2.323 1.00 54.10 C ATOM 641 OE1 GLN A 42 -22.460 10.391 -1.352 1.00 43.20 O ATOM 642 NE2 GLN A 42 -24.188 10.961 -2.584 1.00 11.15 N ATOM 0 H GLN A 42 -19.655 8.354 -1.660 1.00 11.11 H new ATOM 0 HA GLN A 42 -22.485 7.869 -1.071 1.00 13.03 H new ATOM 0 HB2 GLN A 42 -20.828 8.738 -3.251 1.00 64.22 H new ATOM 0 HB3 GLN A 42 -21.681 7.282 -3.722 1.00 64.22 H new ATOM 0 HG2 GLN A 42 -22.980 9.284 -4.273 1.00 43.32 H new ATOM 0 HG3 GLN A 42 -23.826 8.271 -3.120 1.00 43.32 H new ATOM 0 HE21 GLN A 42 -24.793 10.779 -3.385 1.00 11.15 H new ATOM 0 HE22 GLN A 42 -24.363 11.768 -1.985 1.00 11.15 H new ATOM 651 N THR A 43 -20.361 5.516 -2.075 1.00 41.43 N ATOM 652 CA THR A 43 -20.159 4.072 -2.063 1.00 12.03 C ATOM 653 C THR A 43 -19.646 3.604 -0.693 1.00 13.32 C ATOM 654 O THR A 43 -19.821 2.445 -0.325 1.00 22.31 O ATOM 655 CB THR A 43 -19.242 3.633 -3.219 1.00 11.34 C ATOM 656 OG1 THR A 43 -17.883 3.877 -2.937 1.00 23.15 O ATOM 657 CG2 THR A 43 -19.575 4.326 -4.542 1.00 74.13 C ATOM 0 H THR A 43 -19.618 6.043 -2.535 1.00 41.43 H new ATOM 0 HA THR A 43 -21.121 3.585 -2.224 1.00 12.03 H new ATOM 0 HB THR A 43 -19.420 2.562 -3.321 1.00 11.34 H new ATOM 0 HG1 THR A 43 -17.334 3.583 -3.694 1.00 23.15 H new ATOM 0 HG21 THR A 43 -18.895 3.975 -5.318 1.00 74.13 H new ATOM 0 HG22 THR A 43 -20.601 4.093 -4.827 1.00 74.13 H new ATOM 0 HG23 THR A 43 -19.467 5.404 -4.425 1.00 74.13 H new ATOM 665 N GLN A 44 -19.038 4.521 0.072 1.00 15.03 N ATOM 666 CA GLN A 44 -18.271 4.328 1.302 1.00 75.24 C ATOM 667 C GLN A 44 -17.070 3.377 1.170 1.00 54.34 C ATOM 668 O GLN A 44 -16.485 3.044 2.203 1.00 64.52 O ATOM 669 CB GLN A 44 -19.216 3.874 2.439 1.00 20.52 C ATOM 670 CG GLN A 44 -20.322 4.880 2.785 1.00 23.32 C ATOM 671 CD GLN A 44 -19.805 6.118 3.516 1.00 72.53 C ATOM 672 OE1 GLN A 44 -18.606 6.334 3.682 1.00 31.11 O ATOM 673 NE2 GLN A 44 -20.718 6.962 3.954 1.00 54.14 N ATOM 0 H GLN A 44 -19.077 5.508 -0.182 1.00 15.03 H new ATOM 0 HA GLN A 44 -17.831 5.296 1.540 1.00 75.24 H new ATOM 0 HB2 GLN A 44 -19.678 2.928 2.155 1.00 20.52 H new ATOM 0 HB3 GLN A 44 -18.623 3.683 3.333 1.00 20.52 H new ATOM 0 HG2 GLN A 44 -20.821 5.190 1.867 1.00 23.32 H new ATOM 0 HG3 GLN A 44 -21.071 4.387 3.404 1.00 23.32 H new ATOM 0 HE21 GLN A 44 -21.708 6.765 3.806 1.00 54.14 H new ATOM 0 HE22 GLN A 44 -20.435 7.812 4.441 1.00 54.14 H new ATOM 682 N LEU A 45 -16.627 3.008 -0.038 1.00 40.04 N ATOM 683 CA LEU A 45 -15.585 1.992 -0.250 1.00 4.43 C ATOM 684 C LEU A 45 -14.286 2.654 -0.684 1.00 3.05 C ATOM 685 O LEU A 45 -14.288 3.820 -1.060 1.00 22.23 O ATOM 686 CB LEU A 45 -16.010 1.003 -1.339 1.00 3.04 C ATOM 687 CG LEU A 45 -17.309 0.243 -1.018 1.00 42.44 C ATOM 688 CD1 LEU A 45 -18.015 -0.046 -2.338 1.00 44.33 C ATOM 689 CD2 LEU A 45 -17.110 -1.008 -0.156 1.00 52.13 C ATOM 0 H LEU A 45 -16.984 3.409 -0.905 1.00 40.04 H new ATOM 0 HA LEU A 45 -15.439 1.462 0.691 1.00 4.43 H new ATOM 0 HB2 LEU A 45 -16.139 1.543 -2.277 1.00 3.04 H new ATOM 0 HB3 LEU A 45 -15.208 0.282 -1.495 1.00 3.04 H new ATOM 0 HG LEU A 45 -17.937 0.873 -0.388 1.00 42.44 H new ATOM 0 HD11 LEU A 45 -18.942 -0.586 -2.144 1.00 44.33 H new ATOM 0 HD12 LEU A 45 -18.240 0.893 -2.843 1.00 44.33 H new ATOM 0 HD13 LEU A 45 -17.368 -0.653 -2.972 1.00 44.33 H new ATOM 0 HD21 LEU A 45 -18.074 -1.484 0.023 1.00 52.13 H new ATOM 0 HD22 LEU A 45 -16.452 -1.706 -0.674 1.00 52.13 H new ATOM 0 HD23 LEU A 45 -16.662 -0.726 0.797 1.00 52.13 H new ATOM 701 N ASN A 46 -13.166 1.935 -0.674 1.00 63.20 N ATOM 702 CA ASN A 46 -11.889 2.533 -1.069 1.00 4.05 C ATOM 703 C ASN A 46 -11.918 2.936 -2.547 1.00 11.11 C ATOM 704 O ASN A 46 -12.582 2.295 -3.358 1.00 23.32 O ATOM 705 CB ASN A 46 -10.646 1.648 -0.853 1.00 11.33 C ATOM 706 CG ASN A 46 -10.719 0.673 0.289 1.00 31.41 C ATOM 707 OD1 ASN A 46 -10.973 1.066 1.417 1.00 13.25 O ATOM 708 ND2 ASN A 46 -10.476 -0.594 0.040 1.00 54.10 N ATOM 0 H ASN A 46 -13.114 0.953 -0.402 1.00 63.20 H new ATOM 0 HA ASN A 46 -11.788 3.393 -0.406 1.00 4.05 H new ATOM 0 HB2 ASN A 46 -10.459 1.089 -1.770 1.00 11.33 H new ATOM 0 HB3 ASN A 46 -9.785 2.298 -0.695 1.00 11.33 H new ATOM 0 HD21 ASN A 46 -10.497 -1.276 0.798 1.00 54.10 H new ATOM 0 HD22 ASN A 46 -10.266 -0.896 -0.912 1.00 54.10 H new ATOM 715 N ARG A 47 -11.089 3.907 -2.942 1.00 0.23 N ATOM 716 CA ARG A 47 -10.873 4.271 -4.356 1.00 41.43 C ATOM 717 C ARG A 47 -10.134 3.194 -5.170 1.00 3.24 C ATOM 718 O ARG A 47 -10.037 3.327 -6.386 1.00 75.21 O ATOM 719 CB ARG A 47 -10.279 5.676 -4.518 1.00 32.34 C ATOM 720 CG ARG A 47 -11.432 6.691 -4.429 1.00 51.42 C ATOM 721 CD ARG A 47 -10.960 8.114 -4.171 1.00 62.41 C ATOM 722 NE ARG A 47 -10.829 8.993 -5.350 1.00 24.13 N ATOM 723 CZ ARG A 47 -11.807 9.720 -5.910 1.00 4.23 C ATOM 724 NH1 ARG A 47 -13.079 9.513 -5.609 1.00 15.13 N ATOM 725 NH2 ARG A 47 -11.529 10.703 -6.755 1.00 74.53 N ATOM 0 H ARG A 47 -10.543 4.469 -2.290 1.00 0.23 H new ATOM 0 HA ARG A 47 -11.867 4.313 -4.802 1.00 41.43 H new ATOM 0 HB2 ARG A 47 -9.540 5.869 -3.741 1.00 32.34 H new ATOM 0 HB3 ARG A 47 -9.766 5.765 -5.475 1.00 32.34 H new ATOM 0 HG2 ARG A 47 -12.001 6.667 -5.358 1.00 51.42 H new ATOM 0 HG3 ARG A 47 -12.111 6.390 -3.631 1.00 51.42 H new ATOM 0 HD2 ARG A 47 -11.655 8.582 -3.473 1.00 62.41 H new ATOM 0 HD3 ARG A 47 -9.992 8.066 -3.673 1.00 62.41 H new ATOM 0 HE ARG A 47 -9.906 9.053 -5.780 1.00 24.13 H new ATOM 0 HH11 ARG A 47 -13.333 8.788 -4.938 1.00 15.13 H new ATOM 0 HH12 ARG A 47 -13.806 10.079 -6.048 1.00 15.13 H new ATOM 0 HH21 ARG A 47 -10.559 10.916 -6.988 1.00 74.53 H new ATOM 0 HH22 ARG A 47 -12.285 11.246 -7.172 1.00 74.53 H new ATOM 739 N GLY A 48 -9.532 2.196 -4.513 1.00 61.42 N ATOM 740 CA GLY A 48 -8.970 1.006 -5.159 1.00 13.03 C ATOM 741 C GLY A 48 -7.446 1.030 -5.306 1.00 24.15 C ATOM 742 O GLY A 48 -6.842 0.143 -5.915 1.00 35.45 O ATOM 0 H GLY A 48 -9.420 2.193 -3.499 1.00 61.42 H new ATOM 0 HA2 GLY A 48 -9.254 0.126 -4.583 1.00 13.03 H new ATOM 0 HA3 GLY A 48 -9.417 0.898 -6.147 1.00 13.03 H new ATOM 746 N PHE A 49 -6.799 1.959 -4.608 1.00 13.14 N ATOM 747 CA PHE A 49 -5.361 2.094 -4.433 1.00 20.32 C ATOM 748 C PHE A 49 -5.118 2.556 -2.994 1.00 15.31 C ATOM 749 O PHE A 49 -6.071 2.818 -2.244 1.00 55.24 O ATOM 750 CB PHE A 49 -4.783 3.052 -5.487 1.00 73.33 C ATOM 751 CG PHE A 49 -5.517 4.369 -5.591 1.00 63.43 C ATOM 752 CD1 PHE A 49 -6.636 4.471 -6.438 1.00 42.40 C ATOM 753 CD2 PHE A 49 -5.105 5.473 -4.822 1.00 72.30 C ATOM 754 CE1 PHE A 49 -7.357 5.671 -6.497 1.00 53.03 C ATOM 755 CE2 PHE A 49 -5.833 6.671 -4.886 1.00 54.31 C ATOM 756 CZ PHE A 49 -6.966 6.768 -5.713 1.00 24.25 C ATOM 0 H PHE A 49 -7.308 2.692 -4.113 1.00 13.14 H new ATOM 0 HA PHE A 49 -4.844 1.146 -4.586 1.00 20.32 H new ATOM 0 HB2 PHE A 49 -3.738 3.249 -5.250 1.00 73.33 H new ATOM 0 HB3 PHE A 49 -4.802 2.560 -6.459 1.00 73.33 H new ATOM 0 HD1 PHE A 49 -6.938 3.627 -7.041 1.00 42.40 H new ATOM 0 HD2 PHE A 49 -4.235 5.399 -4.187 1.00 72.30 H new ATOM 0 HE1 PHE A 49 -8.216 5.752 -7.147 1.00 53.03 H new ATOM 0 HE2 PHE A 49 -5.522 7.522 -4.298 1.00 54.31 H new ATOM 0 HZ PHE A 49 -7.535 7.685 -5.745 1.00 24.25 H new ATOM 766 N ALA A 50 -3.859 2.612 -2.576 1.00 21.21 N ATOM 767 CA ALA A 50 -3.440 3.156 -1.292 1.00 21.20 C ATOM 768 C ALA A 50 -2.038 3.734 -1.461 1.00 32.03 C ATOM 769 O ALA A 50 -1.355 3.402 -2.427 1.00 13.33 O ATOM 770 CB ALA A 50 -3.456 2.052 -0.225 1.00 62.02 C ATOM 0 H ALA A 50 -3.080 2.270 -3.138 1.00 21.21 H new ATOM 0 HA ALA A 50 -4.122 3.941 -0.965 1.00 21.20 H new ATOM 0 HB1 ALA A 50 -3.141 2.467 0.733 1.00 62.02 H new ATOM 0 HB2 ALA A 50 -4.465 1.650 -0.132 1.00 62.02 H new ATOM 0 HB3 ALA A 50 -2.773 1.254 -0.517 1.00 62.02 H new ATOM 776 N PHE A 51 -1.594 4.549 -0.512 1.00 22.20 N ATOM 777 CA PHE A 51 -0.270 5.140 -0.467 1.00 53.45 C ATOM 778 C PHE A 51 0.355 4.739 0.853 1.00 75.15 C ATOM 779 O PHE A 51 -0.354 4.564 1.842 1.00 20.14 O ATOM 780 CB PHE A 51 -0.376 6.666 -0.519 1.00 33.13 C ATOM 781 CG PHE A 51 -1.072 7.218 -1.738 1.00 60.21 C ATOM 782 CD1 PHE A 51 -2.430 7.568 -1.665 1.00 12.32 C ATOM 783 CD2 PHE A 51 -0.356 7.420 -2.930 1.00 15.52 C ATOM 784 CE1 PHE A 51 -3.073 8.113 -2.784 1.00 41.15 C ATOM 785 CE2 PHE A 51 -1.001 7.948 -4.059 1.00 55.24 C ATOM 786 CZ PHE A 51 -2.364 8.292 -3.987 1.00 74.43 C ATOM 0 H PHE A 51 -2.175 4.825 0.280 1.00 22.20 H new ATOM 0 HA PHE A 51 0.327 4.799 -1.313 1.00 53.45 H new ATOM 0 HB2 PHE A 51 -0.907 7.008 0.369 1.00 33.13 H new ATOM 0 HB3 PHE A 51 0.629 7.086 -0.472 1.00 33.13 H new ATOM 0 HD1 PHE A 51 -2.978 7.417 -0.747 1.00 12.32 H new ATOM 0 HD2 PHE A 51 0.693 7.168 -2.977 1.00 15.52 H new ATOM 0 HE1 PHE A 51 -4.113 8.396 -2.724 1.00 41.15 H new ATOM 0 HE2 PHE A 51 -0.454 8.090 -4.979 1.00 55.24 H new ATOM 0 HZ PHE A 51 -2.866 8.693 -4.855 1.00 74.43 H new ATOM 796 N ILE A 52 1.671 4.667 0.870 1.00 12.10 N ATOM 797 CA ILE A 52 2.532 4.326 1.982 1.00 11.41 C ATOM 798 C ILE A 52 3.627 5.383 1.963 1.00 1.53 C ATOM 799 O ILE A 52 4.399 5.475 1.008 1.00 54.43 O ATOM 800 CB ILE A 52 3.089 2.904 1.816 1.00 63.23 C ATOM 801 CG1 ILE A 52 1.993 1.824 1.650 1.00 15.53 C ATOM 802 CG2 ILE A 52 4.081 2.569 2.946 1.00 31.14 C ATOM 803 CD1 ILE A 52 2.523 0.501 1.092 1.00 20.40 C ATOM 0 H ILE A 52 2.213 4.864 0.028 1.00 12.10 H new ATOM 0 HA ILE A 52 2.008 4.321 2.938 1.00 11.41 H new ATOM 0 HB ILE A 52 3.637 2.891 0.874 1.00 63.23 H new ATOM 0 HG12 ILE A 52 1.525 1.640 2.617 1.00 15.53 H new ATOM 0 HG13 ILE A 52 1.216 2.204 0.987 1.00 15.53 H new ATOM 0 HG21 ILE A 52 4.462 1.557 2.807 1.00 31.14 H new ATOM 0 HG22 ILE A 52 4.911 3.276 2.923 1.00 31.14 H new ATOM 0 HG23 ILE A 52 3.573 2.637 3.908 1.00 31.14 H new ATOM 0 HD11 ILE A 52 1.702 -0.210 1.001 1.00 20.40 H new ATOM 0 HD12 ILE A 52 2.966 0.671 0.111 1.00 20.40 H new ATOM 0 HD13 ILE A 52 3.279 0.099 1.766 1.00 20.40 H new ATOM 815 N GLN A 53 3.654 6.206 3.002 1.00 42.42 N ATOM 816 CA GLN A 53 4.575 7.308 3.167 1.00 11.53 C ATOM 817 C GLN A 53 5.567 6.818 4.215 1.00 74.43 C ATOM 818 O GLN A 53 5.187 6.627 5.370 1.00 23.44 O ATOM 819 CB GLN A 53 3.809 8.579 3.584 1.00 15.44 C ATOM 820 CG GLN A 53 3.111 9.317 2.416 1.00 1.20 C ATOM 821 CD GLN A 53 1.768 8.774 1.892 1.00 2.14 C ATOM 822 OE1 GLN A 53 1.213 9.307 0.927 1.00 61.01 O ATOM 823 NE2 GLN A 53 1.165 7.749 2.477 1.00 63.31 N ATOM 0 H GLN A 53 3.004 6.115 3.783 1.00 42.42 H new ATOM 0 HA GLN A 53 5.098 7.589 2.253 1.00 11.53 H new ATOM 0 HB2 GLN A 53 3.059 8.309 4.327 1.00 15.44 H new ATOM 0 HB3 GLN A 53 4.504 9.265 4.068 1.00 15.44 H new ATOM 0 HG2 GLN A 53 2.951 10.349 2.727 1.00 1.20 H new ATOM 0 HG3 GLN A 53 3.807 9.341 1.578 1.00 1.20 H new ATOM 0 HE21 GLN A 53 1.601 7.289 3.277 1.00 63.31 H new ATOM 0 HE22 GLN A 53 0.265 7.420 2.128 1.00 63.31 H new ATOM 832 N LEU A 54 6.792 6.497 3.799 1.00 13.20 N ATOM 833 CA LEU A 54 7.831 5.917 4.656 1.00 51.31 C ATOM 834 C LEU A 54 8.932 6.956 4.885 1.00 42.32 C ATOM 835 O LEU A 54 8.765 8.137 4.581 1.00 61.31 O ATOM 836 CB LEU A 54 8.339 4.578 4.058 1.00 22.22 C ATOM 837 CG LEU A 54 7.833 3.330 4.808 1.00 23.42 C ATOM 838 CD1 LEU A 54 8.239 2.060 4.046 1.00 15.34 C ATOM 839 CD2 LEU A 54 8.404 3.272 6.232 1.00 61.35 C ATOM 0 H LEU A 54 7.098 6.635 2.836 1.00 13.20 H new ATOM 0 HA LEU A 54 7.427 5.664 5.636 1.00 51.31 H new ATOM 0 HB2 LEU A 54 8.027 4.515 3.015 1.00 22.22 H new ATOM 0 HB3 LEU A 54 9.429 4.578 4.065 1.00 22.22 H new ATOM 0 HG LEU A 54 6.747 3.392 4.870 1.00 23.42 H new ATOM 0 HD11 LEU A 54 7.878 1.183 4.582 1.00 15.34 H new ATOM 0 HD12 LEU A 54 7.803 2.080 3.047 1.00 15.34 H new ATOM 0 HD13 LEU A 54 9.325 2.015 3.967 1.00 15.34 H new ATOM 0 HD21 LEU A 54 8.030 2.382 6.738 1.00 61.35 H new ATOM 0 HD22 LEU A 54 9.492 3.234 6.186 1.00 61.35 H new ATOM 0 HD23 LEU A 54 8.095 4.159 6.784 1.00 61.35 H new ATOM 851 N SER A 55 10.045 6.544 5.482 1.00 62.22 N ATOM 852 CA SER A 55 11.316 7.246 5.366 1.00 20.30 C ATOM 853 C SER A 55 11.869 7.099 3.946 1.00 44.34 C ATOM 854 O SER A 55 11.536 6.131 3.266 1.00 53.23 O ATOM 855 CB SER A 55 12.265 6.600 6.378 1.00 33.21 C ATOM 856 OG SER A 55 12.302 7.376 7.551 1.00 51.32 O ATOM 0 H SER A 55 10.090 5.707 6.064 1.00 62.22 H new ATOM 0 HA SER A 55 11.200 8.311 5.565 1.00 20.30 H new ATOM 0 HB2 SER A 55 11.932 5.588 6.609 1.00 33.21 H new ATOM 0 HB3 SER A 55 13.265 6.517 5.953 1.00 33.21 H new ATOM 0 HG SER A 55 12.909 6.961 8.199 1.00 51.32 H new ATOM 862 N THR A 56 12.787 7.983 3.541 1.00 20.31 N ATOM 863 CA THR A 56 13.468 7.933 2.249 1.00 11.12 C ATOM 864 C THR A 56 14.133 6.569 2.053 1.00 14.33 C ATOM 865 O THR A 56 13.804 5.812 1.137 1.00 42.34 O ATOM 866 CB THR A 56 14.477 9.097 2.159 1.00 1.42 C ATOM 867 OG1 THR A 56 15.334 9.155 3.290 1.00 4.54 O ATOM 868 CG2 THR A 56 13.762 10.444 2.080 1.00 53.42 C ATOM 0 H THR A 56 13.082 8.771 4.118 1.00 20.31 H new ATOM 0 HA THR A 56 12.747 8.052 1.441 1.00 11.12 H new ATOM 0 HB THR A 56 15.059 8.908 1.257 1.00 1.42 H new ATOM 0 HG1 THR A 56 15.957 9.905 3.190 1.00 4.54 H new ATOM 0 HG21 THR A 56 14.499 11.244 2.018 1.00 53.42 H new ATOM 0 HG22 THR A 56 13.126 10.467 1.195 1.00 53.42 H new ATOM 0 HG23 THR A 56 13.150 10.584 2.971 1.00 53.42 H new ATOM 876 N ILE A 57 15.056 6.257 2.962 1.00 63.41 N ATOM 877 CA ILE A 57 15.793 5.009 3.002 1.00 35.14 C ATOM 878 C ILE A 57 14.812 3.851 3.165 1.00 55.44 C ATOM 879 O ILE A 57 14.919 2.876 2.426 1.00 61.15 O ATOM 880 CB ILE A 57 16.880 5.049 4.100 1.00 32.31 C ATOM 881 CG1 ILE A 57 17.814 6.260 3.877 1.00 24.13 C ATOM 882 CG2 ILE A 57 17.672 3.732 4.097 1.00 15.33 C ATOM 883 CD1 ILE A 57 18.878 6.440 4.959 1.00 22.12 C ATOM 0 H ILE A 57 15.315 6.894 3.715 1.00 63.41 H new ATOM 0 HA ILE A 57 16.325 4.857 2.063 1.00 35.14 H new ATOM 0 HB ILE A 57 16.406 5.162 5.075 1.00 32.31 H new ATOM 0 HG12 ILE A 57 18.309 6.150 2.912 1.00 24.13 H new ATOM 0 HG13 ILE A 57 17.210 7.165 3.824 1.00 24.13 H new ATOM 0 HG21 ILE A 57 18.437 3.766 4.873 1.00 15.33 H new ATOM 0 HG22 ILE A 57 16.995 2.900 4.291 1.00 15.33 H new ATOM 0 HG23 ILE A 57 18.147 3.595 3.125 1.00 15.33 H new ATOM 0 HD11 ILE A 57 19.490 7.311 4.726 1.00 22.12 H new ATOM 0 HD12 ILE A 57 18.394 6.584 5.925 1.00 22.12 H new ATOM 0 HD13 ILE A 57 19.510 5.553 4.999 1.00 22.12 H new ATOM 895 N GLU A 58 13.863 3.940 4.104 1.00 11.31 N ATOM 896 CA GLU A 58 13.005 2.801 4.405 1.00 64.45 C ATOM 897 C GLU A 58 12.162 2.393 3.198 1.00 4.41 C ATOM 898 O GLU A 58 12.058 1.206 2.889 1.00 21.21 O ATOM 899 CB GLU A 58 12.083 3.036 5.596 1.00 34.24 C ATOM 900 CG GLU A 58 12.840 3.041 6.935 1.00 53.54 C ATOM 901 CD GLU A 58 11.984 2.407 8.036 1.00 65.11 C ATOM 902 OE1 GLU A 58 11.439 3.152 8.883 1.00 23.20 O ATOM 903 OE2 GLU A 58 11.830 1.161 8.007 1.00 31.14 O ATOM 0 H GLU A 58 13.676 4.776 4.657 1.00 11.31 H new ATOM 0 HA GLU A 58 13.690 1.994 4.665 1.00 64.45 H new ATOM 0 HB2 GLU A 58 11.568 3.988 5.470 1.00 34.24 H new ATOM 0 HB3 GLU A 58 11.318 2.260 5.618 1.00 34.24 H new ATOM 0 HG2 GLU A 58 13.776 2.492 6.833 1.00 53.54 H new ATOM 0 HG3 GLU A 58 13.098 4.064 7.210 1.00 53.54 H new ATOM 910 N ALA A 59 11.572 3.385 2.523 1.00 12.10 N ATOM 911 CA ALA A 59 10.751 3.184 1.340 1.00 32.33 C ATOM 912 C ALA A 59 11.569 2.446 0.287 1.00 51.22 C ATOM 913 O ALA A 59 11.122 1.425 -0.228 1.00 62.04 O ATOM 914 CB ALA A 59 10.245 4.531 0.802 1.00 72.42 C ATOM 0 H ALA A 59 11.657 4.365 2.794 1.00 12.10 H new ATOM 0 HA ALA A 59 9.878 2.584 1.597 1.00 32.33 H new ATOM 0 HB1 ALA A 59 9.632 4.362 -0.083 1.00 72.42 H new ATOM 0 HB2 ALA A 59 9.648 5.027 1.567 1.00 72.42 H new ATOM 0 HB3 ALA A 59 11.095 5.161 0.540 1.00 72.42 H new ATOM 920 N ALA A 60 12.773 2.949 -0.003 1.00 20.11 N ATOM 921 CA ALA A 60 13.675 2.319 -0.946 1.00 31.01 C ATOM 922 C ALA A 60 13.958 0.873 -0.535 1.00 55.53 C ATOM 923 O ALA A 60 13.687 -0.030 -1.324 1.00 13.11 O ATOM 924 CB ALA A 60 14.957 3.149 -1.066 1.00 1.51 C ATOM 0 H ALA A 60 13.141 3.804 0.414 1.00 20.11 H new ATOM 0 HA ALA A 60 13.208 2.282 -1.930 1.00 31.01 H new ATOM 0 HB1 ALA A 60 15.634 2.673 -1.776 1.00 1.51 H new ATOM 0 HB2 ALA A 60 14.710 4.151 -1.416 1.00 1.51 H new ATOM 0 HB3 ALA A 60 15.441 3.214 -0.091 1.00 1.51 H new ATOM 930 N GLN A 61 14.492 0.657 0.672 1.00 44.14 N ATOM 931 CA GLN A 61 14.941 -0.636 1.190 1.00 75.23 C ATOM 932 C GLN A 61 13.861 -1.695 1.046 1.00 55.34 C ATOM 933 O GLN A 61 14.069 -2.704 0.374 1.00 0.23 O ATOM 934 CB GLN A 61 15.315 -0.521 2.674 1.00 44.34 C ATOM 935 CG GLN A 61 16.668 0.160 2.874 1.00 74.12 C ATOM 936 CD GLN A 61 17.083 0.276 4.337 1.00 63.14 C ATOM 937 OE1 GLN A 61 18.280 0.370 4.603 1.00 72.43 O ATOM 938 NE2 GLN A 61 16.160 0.326 5.286 1.00 45.45 N ATOM 0 H GLN A 61 14.628 1.413 1.343 1.00 44.14 H new ATOM 0 HA GLN A 61 15.813 -0.931 0.606 1.00 75.23 H new ATOM 0 HB2 GLN A 61 14.544 0.043 3.199 1.00 44.34 H new ATOM 0 HB3 GLN A 61 15.341 -1.516 3.119 1.00 44.34 H new ATOM 0 HG2 GLN A 61 17.431 -0.399 2.332 1.00 74.12 H new ATOM 0 HG3 GLN A 61 16.632 1.157 2.435 1.00 74.12 H new ATOM 0 HE21 GLN A 61 15.173 0.246 5.042 1.00 45.45 H new ATOM 0 HE22 GLN A 61 16.437 0.445 6.261 1.00 45.45 H new ATOM 947 N LEU A 62 12.712 -1.460 1.679 1.00 55.11 N ATOM 948 CA LEU A 62 11.596 -2.390 1.683 1.00 34.22 C ATOM 949 C LEU A 62 11.196 -2.715 0.250 1.00 64.04 C ATOM 950 O LEU A 62 11.012 -3.882 -0.100 1.00 51.22 O ATOM 951 CB LEU A 62 10.459 -1.751 2.494 1.00 42.43 C ATOM 952 CG LEU A 62 9.131 -2.522 2.558 1.00 71.24 C ATOM 953 CD1 LEU A 62 8.203 -2.220 1.384 1.00 64.32 C ATOM 954 CD2 LEU A 62 9.279 -4.036 2.778 1.00 25.14 C ATOM 0 H LEU A 62 12.533 -0.607 2.208 1.00 55.11 H new ATOM 0 HA LEU A 62 11.860 -3.338 2.151 1.00 34.22 H new ATOM 0 HB2 LEU A 62 10.813 -1.600 3.514 1.00 42.43 H new ATOM 0 HB3 LEU A 62 10.258 -0.764 2.077 1.00 42.43 H new ATOM 0 HG LEU A 62 8.655 -2.136 3.460 1.00 71.24 H new ATOM 0 HD11 LEU A 62 7.284 -2.796 1.489 1.00 64.32 H new ATOM 0 HD12 LEU A 62 7.965 -1.156 1.372 1.00 64.32 H new ATOM 0 HD13 LEU A 62 8.696 -2.492 0.451 1.00 64.32 H new ATOM 0 HD21 LEU A 62 8.292 -4.497 2.810 1.00 25.14 H new ATOM 0 HD22 LEU A 62 9.855 -4.468 1.960 1.00 25.14 H new ATOM 0 HD23 LEU A 62 9.795 -4.218 3.721 1.00 25.14 H new ATOM 966 N LEU A 63 11.110 -1.689 -0.597 1.00 23.32 N ATOM 967 CA LEU A 63 10.696 -1.861 -1.976 1.00 63.44 C ATOM 968 C LEU A 63 11.689 -2.722 -2.756 1.00 2.54 C ATOM 969 O LEU A 63 11.262 -3.516 -3.589 1.00 52.23 O ATOM 970 CB LEU A 63 10.532 -0.502 -2.648 1.00 64.12 C ATOM 971 CG LEU A 63 9.942 -0.644 -4.067 1.00 0.52 C ATOM 972 CD1 LEU A 63 8.541 -0.037 -4.104 1.00 20.02 C ATOM 973 CD2 LEU A 63 10.899 -0.022 -5.087 1.00 53.55 C ATOM 0 H LEU A 63 11.325 -0.725 -0.342 1.00 23.32 H new ATOM 0 HA LEU A 63 9.737 -2.378 -1.976 1.00 63.44 H new ATOM 0 HB2 LEU A 63 9.881 0.129 -2.043 1.00 64.12 H new ATOM 0 HB3 LEU A 63 11.499 -0.002 -2.703 1.00 64.12 H new ATOM 0 HG LEU A 63 9.836 -1.695 -4.336 1.00 0.52 H new ATOM 0 HD11 LEU A 63 8.127 -0.139 -5.107 1.00 20.02 H new ATOM 0 HD12 LEU A 63 7.900 -0.557 -3.392 1.00 20.02 H new ATOM 0 HD13 LEU A 63 8.595 1.019 -3.839 1.00 20.02 H new ATOM 0 HD21 LEU A 63 10.480 -0.124 -6.088 1.00 53.55 H new ATOM 0 HD22 LEU A 63 11.039 1.034 -4.858 1.00 53.55 H new ATOM 0 HD23 LEU A 63 11.861 -0.533 -5.043 1.00 53.55 H new ATOM 985 N GLN A 64 12.993 -2.601 -2.482 1.00 20.42 N ATOM 986 CA GLN A 64 13.987 -3.434 -3.146 1.00 11.20 C ATOM 987 C GLN A 64 13.650 -4.909 -2.887 1.00 42.35 C ATOM 988 O GLN A 64 13.676 -5.730 -3.801 1.00 24.01 O ATOM 989 CB GLN A 64 15.414 -3.177 -2.631 1.00 33.42 C ATOM 990 CG GLN A 64 16.026 -1.771 -2.612 1.00 42.14 C ATOM 991 CD GLN A 64 15.889 -0.923 -3.873 1.00 31.40 C ATOM 992 OE1 GLN A 64 16.851 -0.740 -4.619 1.00 73.05 O ATOM 993 NE2 GLN A 64 14.762 -0.260 -4.062 1.00 3.30 N ATOM 0 H GLN A 64 13.377 -1.938 -1.809 1.00 20.42 H new ATOM 0 HA GLN A 64 13.959 -3.188 -4.208 1.00 11.20 H new ATOM 0 HB2 GLN A 64 15.452 -3.551 -1.608 1.00 33.42 H new ATOM 0 HB3 GLN A 64 16.081 -3.803 -3.224 1.00 33.42 H new ATOM 0 HG2 GLN A 64 15.576 -1.220 -1.786 1.00 42.14 H new ATOM 0 HG3 GLN A 64 17.088 -1.870 -2.388 1.00 42.14 H new ATOM 0 HE21 GLN A 64 13.968 -0.416 -3.441 1.00 3.30 H new ATOM 0 HE22 GLN A 64 14.686 0.408 -4.829 1.00 3.30 H new ATOM 1002 N ILE A 65 13.327 -5.249 -1.634 1.00 63.33 N ATOM 1003 CA ILE A 65 12.945 -6.603 -1.253 1.00 55.35 C ATOM 1004 C ILE A 65 11.656 -6.963 -2.016 1.00 24.21 C ATOM 1005 O ILE A 65 11.607 -8.017 -2.649 1.00 33.13 O ATOM 1006 CB ILE A 65 12.848 -6.750 0.288 1.00 24.34 C ATOM 1007 CG1 ILE A 65 14.126 -6.242 1.002 1.00 43.55 C ATOM 1008 CG2 ILE A 65 12.638 -8.231 0.657 1.00 70.15 C ATOM 1009 CD1 ILE A 65 13.982 -6.123 2.522 1.00 24.42 C ATOM 0 H ILE A 65 13.325 -4.587 -0.858 1.00 63.33 H new ATOM 0 HA ILE A 65 13.711 -7.325 -1.538 1.00 55.35 H new ATOM 0 HB ILE A 65 12.004 -6.144 0.618 1.00 24.34 H new ATOM 0 HG12 ILE A 65 14.950 -6.919 0.777 1.00 43.55 H new ATOM 0 HG13 ILE A 65 14.395 -5.267 0.595 1.00 43.55 H new ATOM 0 HG21 ILE A 65 12.570 -8.330 1.740 1.00 70.15 H new ATOM 0 HG22 ILE A 65 11.716 -8.592 0.201 1.00 70.15 H new ATOM 0 HG23 ILE A 65 13.479 -8.820 0.291 1.00 70.15 H new ATOM 0 HD11 ILE A 65 14.918 -5.762 2.949 1.00 24.42 H new ATOM 0 HD12 ILE A 65 13.181 -5.422 2.758 1.00 24.42 H new ATOM 0 HD13 ILE A 65 13.745 -7.100 2.943 1.00 24.42 H new ATOM 1021 N LEU A 66 10.634 -6.094 -2.008 1.00 4.51 N ATOM 1022 CA LEU A 66 9.381 -6.289 -2.728 1.00 55.34 C ATOM 1023 C LEU A 66 9.535 -6.470 -4.240 1.00 31.32 C ATOM 1024 O LEU A 66 8.582 -6.917 -4.883 1.00 52.21 O ATOM 1025 CB LEU A 66 8.349 -5.198 -2.430 1.00 53.43 C ATOM 1026 CG LEU A 66 7.821 -5.186 -0.984 1.00 63.22 C ATOM 1027 CD1 LEU A 66 6.654 -4.203 -0.911 1.00 15.42 C ATOM 1028 CD2 LEU A 66 7.328 -6.541 -0.459 1.00 15.31 C ATOM 0 H LEU A 66 10.663 -5.218 -1.486 1.00 4.51 H new ATOM 0 HA LEU A 66 9.009 -7.237 -2.338 1.00 55.34 H new ATOM 0 HB2 LEU A 66 8.794 -4.227 -2.647 1.00 53.43 H new ATOM 0 HB3 LEU A 66 7.505 -5.321 -3.109 1.00 53.43 H new ATOM 0 HG LEU A 66 8.667 -4.904 -0.358 1.00 63.22 H new ATOM 0 HD11 LEU A 66 6.263 -4.178 0.106 1.00 15.42 H new ATOM 0 HD12 LEU A 66 6.998 -3.208 -1.192 1.00 15.42 H new ATOM 0 HD13 LEU A 66 5.867 -4.521 -1.595 1.00 15.42 H new ATOM 0 HD21 LEU A 66 6.977 -6.428 0.567 1.00 15.31 H new ATOM 0 HD22 LEU A 66 6.511 -6.898 -1.085 1.00 15.31 H new ATOM 0 HD23 LEU A 66 8.146 -7.261 -0.485 1.00 15.31 H new ATOM 1040 N GLN A 67 10.693 -6.157 -4.818 1.00 0.20 N ATOM 1041 CA GLN A 67 10.994 -6.423 -6.224 1.00 54.51 C ATOM 1042 C GLN A 67 12.051 -7.520 -6.398 1.00 31.22 C ATOM 1043 O GLN A 67 12.553 -7.731 -7.504 1.00 52.55 O ATOM 1044 CB GLN A 67 11.322 -5.102 -6.935 1.00 22.31 C ATOM 1045 CG GLN A 67 10.136 -4.122 -6.817 1.00 13.10 C ATOM 1046 CD GLN A 67 9.941 -3.216 -8.016 1.00 13.20 C ATOM 1047 OE1 GLN A 67 9.959 -3.645 -9.166 1.00 22.01 O ATOM 1048 NE2 GLN A 67 9.588 -1.972 -7.781 1.00 0.40 N ATOM 0 H GLN A 67 11.458 -5.706 -4.317 1.00 0.20 H new ATOM 0 HA GLN A 67 10.111 -6.837 -6.712 1.00 54.51 H new ATOM 0 HB2 GLN A 67 12.215 -4.657 -6.497 1.00 22.31 H new ATOM 0 HB3 GLN A 67 11.543 -5.291 -7.985 1.00 22.31 H new ATOM 0 HG2 GLN A 67 9.223 -4.696 -6.660 1.00 13.10 H new ATOM 0 HG3 GLN A 67 10.280 -3.504 -5.931 1.00 13.10 H new ATOM 0 HE21 GLN A 67 9.574 -1.618 -6.825 1.00 0.40 H new ATOM 0 HE22 GLN A 67 9.328 -1.361 -8.555 1.00 0.40 H new ATOM 1057 N ALA A 68 12.334 -8.279 -5.338 1.00 71.34 N ATOM 1058 CA ALA A 68 13.260 -9.404 -5.298 1.00 13.50 C ATOM 1059 C ALA A 68 12.613 -10.707 -4.813 1.00 53.31 C ATOM 1060 O ALA A 68 13.233 -11.763 -4.951 1.00 61.12 O ATOM 1061 CB ALA A 68 14.422 -9.043 -4.372 1.00 13.11 C ATOM 0 H ALA A 68 11.895 -8.112 -4.433 1.00 71.34 H new ATOM 0 HA ALA A 68 13.599 -9.584 -6.318 1.00 13.50 H new ATOM 0 HB1 ALA A 68 15.126 -9.874 -4.330 1.00 13.11 H new ATOM 0 HB2 ALA A 68 14.930 -8.157 -4.753 1.00 13.11 H new ATOM 0 HB3 ALA A 68 14.040 -8.840 -3.371 1.00 13.11 H new ATOM 1067 N LEU A 69 11.427 -10.650 -4.207 1.00 4.44 N ATOM 1068 CA LEU A 69 10.929 -11.660 -3.274 1.00 73.43 C ATOM 1069 C LEU A 69 9.721 -12.462 -3.777 1.00 24.33 C ATOM 1070 O LEU A 69 9.327 -12.355 -4.939 1.00 64.02 O ATOM 1071 CB LEU A 69 10.730 -11.048 -1.893 1.00 55.31 C ATOM 1072 CG LEU A 69 9.529 -10.115 -1.702 1.00 44.55 C ATOM 1073 CD1 LEU A 69 8.730 -9.644 -2.931 1.00 21.03 C ATOM 1074 CD2 LEU A 69 8.603 -10.662 -0.633 1.00 74.31 C ATOM 0 H LEU A 69 10.771 -9.883 -4.355 1.00 4.44 H new ATOM 0 HA LEU A 69 11.703 -12.424 -3.194 1.00 73.43 H new ATOM 0 HB2 LEU A 69 10.642 -11.862 -1.173 1.00 55.31 H new ATOM 0 HB3 LEU A 69 11.632 -10.492 -1.637 1.00 55.31 H new ATOM 0 HG LEU A 69 10.013 -9.187 -1.397 1.00 44.55 H new ATOM 0 HD11 LEU A 69 7.918 -8.992 -2.609 1.00 21.03 H new ATOM 0 HD12 LEU A 69 9.389 -9.097 -3.606 1.00 21.03 H new ATOM 0 HD13 LEU A 69 8.317 -10.509 -3.450 1.00 21.03 H new ATOM 0 HD21 LEU A 69 7.754 -9.989 -0.508 1.00 74.31 H new ATOM 0 HD22 LEU A 69 8.244 -11.647 -0.932 1.00 74.31 H new ATOM 0 HD23 LEU A 69 9.144 -10.743 0.310 1.00 74.31 H new ATOM 1086 N HIS A 70 9.124 -13.244 -2.870 1.00 3.30 N ATOM 1087 CA HIS A 70 7.870 -13.964 -3.061 1.00 20.14 C ATOM 1088 C HIS A 70 6.698 -13.004 -3.363 1.00 12.50 C ATOM 1089 O HIS A 70 6.588 -11.938 -2.757 1.00 40.51 O ATOM 1090 CB HIS A 70 7.572 -14.766 -1.779 1.00 34.40 C ATOM 1091 CG HIS A 70 7.648 -16.265 -1.914 1.00 23.42 C ATOM 1092 ND1 HIS A 70 6.851 -17.140 -1.217 1.00 24.00 N ATOM 1093 CD2 HIS A 70 8.525 -17.005 -2.663 1.00 42.11 C ATOM 1094 CE1 HIS A 70 7.229 -18.388 -1.536 1.00 52.32 C ATOM 1095 NE2 HIS A 70 8.240 -18.358 -2.425 1.00 5.30 N ATOM 0 H HIS A 70 9.523 -13.396 -1.944 1.00 3.30 H new ATOM 0 HA HIS A 70 7.973 -14.629 -3.919 1.00 20.14 H new ATOM 0 HB2 HIS A 70 8.273 -14.453 -1.005 1.00 34.40 H new ATOM 0 HB3 HIS A 70 6.574 -14.501 -1.430 1.00 34.40 H new ATOM 0 HD2 HIS A 70 9.294 -16.618 -3.316 1.00 42.11 H new ATOM 0 HE1 HIS A 70 6.785 -19.288 -1.136 1.00 52.32 H new ATOM 0 HE2 HIS A 70 8.707 -19.162 -2.844 1.00 5.30 H new ATOM 1103 N PRO A 71 5.742 -13.385 -4.218 1.00 62.13 N ATOM 1104 CA PRO A 71 4.746 -12.464 -4.742 1.00 54.21 C ATOM 1105 C PRO A 71 3.725 -12.051 -3.671 1.00 51.51 C ATOM 1106 O PRO A 71 3.500 -12.799 -2.710 1.00 44.42 O ATOM 1107 CB PRO A 71 4.102 -13.181 -5.931 1.00 63.35 C ATOM 1108 CG PRO A 71 4.374 -14.661 -5.658 1.00 52.31 C ATOM 1109 CD PRO A 71 5.710 -14.634 -4.928 1.00 24.22 C ATOM 0 HA PRO A 71 5.198 -11.524 -5.059 1.00 54.21 H new ATOM 0 HB2 PRO A 71 3.033 -12.975 -5.991 1.00 63.35 H new ATOM 0 HB3 PRO A 71 4.541 -12.862 -6.876 1.00 63.35 H new ATOM 0 HG2 PRO A 71 3.590 -15.110 -5.048 1.00 52.31 H new ATOM 0 HG3 PRO A 71 4.430 -15.238 -6.581 1.00 52.31 H new ATOM 0 HD2 PRO A 71 5.798 -15.476 -4.242 1.00 24.22 H new ATOM 0 HD3 PRO A 71 6.541 -14.706 -5.630 1.00 24.22 H new ATOM 1117 N PRO A 72 3.097 -10.870 -3.825 1.00 60.22 N ATOM 1118 CA PRO A 72 2.314 -10.255 -2.765 1.00 54.52 C ATOM 1119 C PRO A 72 1.063 -11.050 -2.420 1.00 44.53 C ATOM 1120 O PRO A 72 0.283 -11.451 -3.289 1.00 71.13 O ATOM 1121 CB PRO A 72 1.973 -8.840 -3.231 1.00 54.41 C ATOM 1122 CG PRO A 72 2.221 -8.857 -4.740 1.00 1.54 C ATOM 1123 CD PRO A 72 3.266 -9.946 -4.937 1.00 62.12 C ATOM 0 HA PRO A 72 2.893 -10.233 -1.842 1.00 54.52 H new ATOM 0 HB2 PRO A 72 0.938 -8.587 -3.003 1.00 54.41 H new ATOM 0 HB3 PRO A 72 2.599 -8.098 -2.735 1.00 54.41 H new ATOM 0 HG2 PRO A 72 1.307 -9.079 -5.291 1.00 1.54 H new ATOM 0 HG3 PRO A 72 2.581 -7.891 -5.095 1.00 1.54 H new ATOM 0 HD2 PRO A 72 3.125 -10.454 -5.891 1.00 62.12 H new ATOM 0 HD3 PRO A 72 4.271 -9.525 -4.945 1.00 62.12 H new ATOM 1131 N LEU A 73 0.845 -11.205 -1.122 1.00 24.34 N ATOM 1132 CA LEU A 73 -0.209 -11.977 -0.490 1.00 72.35 C ATOM 1133 C LEU A 73 -1.552 -11.297 -0.750 1.00 64.11 C ATOM 1134 O LEU A 73 -1.724 -10.112 -0.460 1.00 34.04 O ATOM 1135 CB LEU A 73 0.134 -12.077 1.005 1.00 71.34 C ATOM 1136 CG LEU A 73 -0.528 -13.224 1.776 1.00 5.14 C ATOM 1137 CD1 LEU A 73 -2.045 -13.115 1.837 1.00 63.01 C ATOM 1138 CD2 LEU A 73 -0.096 -14.606 1.256 1.00 51.45 C ATOM 0 H LEU A 73 1.449 -10.758 -0.432 1.00 24.34 H new ATOM 0 HA LEU A 73 -0.287 -12.986 -0.896 1.00 72.35 H new ATOM 0 HB2 LEU A 73 1.215 -12.178 1.102 1.00 71.34 H new ATOM 0 HB3 LEU A 73 -0.143 -11.138 1.484 1.00 71.34 H new ATOM 0 HG LEU A 73 -0.165 -13.124 2.799 1.00 5.14 H new ATOM 0 HD11 LEU A 73 -2.448 -13.959 2.397 1.00 63.01 H new ATOM 0 HD12 LEU A 73 -2.323 -12.185 2.332 1.00 63.01 H new ATOM 0 HD13 LEU A 73 -2.451 -13.123 0.826 1.00 63.01 H new ATOM 0 HD21 LEU A 73 -0.593 -15.384 1.835 1.00 51.45 H new ATOM 0 HD22 LEU A 73 -0.373 -14.703 0.206 1.00 51.45 H new ATOM 0 HD23 LEU A 73 0.984 -14.712 1.358 1.00 51.45 H new ATOM 1150 N THR A 74 -2.469 -11.991 -1.414 1.00 41.12 N ATOM 1151 CA THR A 74 -3.806 -11.455 -1.699 1.00 72.44 C ATOM 1152 C THR A 74 -4.697 -11.657 -0.472 1.00 22.02 C ATOM 1153 O THR A 74 -4.591 -12.655 0.232 1.00 33.22 O ATOM 1154 CB THR A 74 -4.438 -12.048 -2.968 1.00 62.44 C ATOM 1155 OG1 THR A 74 -5.810 -11.739 -3.030 1.00 72.00 O ATOM 1156 CG2 THR A 74 -4.347 -13.553 -3.106 1.00 15.13 C ATOM 0 H THR A 74 -2.314 -12.934 -1.770 1.00 41.12 H new ATOM 0 HA THR A 74 -3.706 -10.389 -1.905 1.00 72.44 H new ATOM 0 HB THR A 74 -3.854 -11.597 -3.770 1.00 62.44 H new ATOM 0 HG1 THR A 74 -5.936 -10.779 -2.881 1.00 72.00 H new ATOM 0 HG21 THR A 74 -4.824 -13.863 -4.036 1.00 15.13 H new ATOM 0 HG22 THR A 74 -3.300 -13.855 -3.117 1.00 15.13 H new ATOM 0 HG23 THR A 74 -4.852 -14.027 -2.264 1.00 15.13 H new ATOM 1164 N ILE A 75 -5.610 -10.713 -0.232 1.00 3.01 N ATOM 1165 CA ILE A 75 -6.449 -10.708 0.964 1.00 31.31 C ATOM 1166 C ILE A 75 -7.932 -10.522 0.592 1.00 31.21 C ATOM 1167 O ILE A 75 -8.749 -10.200 1.449 1.00 62.12 O ATOM 1168 CB ILE A 75 -5.923 -9.661 1.986 1.00 4.41 C ATOM 1169 CG1 ILE A 75 -4.399 -9.374 1.961 1.00 22.13 C ATOM 1170 CG2 ILE A 75 -6.303 -10.084 3.411 1.00 62.11 C ATOM 1171 CD1 ILE A 75 -3.973 -8.257 1.005 1.00 25.42 C ATOM 0 H ILE A 75 -5.787 -9.931 -0.863 1.00 3.01 H new ATOM 0 HA ILE A 75 -6.387 -11.678 1.458 1.00 31.31 H new ATOM 0 HB ILE A 75 -6.404 -8.734 1.676 1.00 4.41 H new ATOM 0 HG12 ILE A 75 -4.076 -9.114 2.969 1.00 22.13 H new ATOM 0 HG13 ILE A 75 -3.875 -10.289 1.685 1.00 22.13 H new ATOM 0 HG21 ILE A 75 -5.931 -9.346 4.121 1.00 62.11 H new ATOM 0 HG22 ILE A 75 -7.388 -10.152 3.493 1.00 62.11 H new ATOM 0 HG23 ILE A 75 -5.861 -11.055 3.632 1.00 62.11 H new ATOM 0 HD11 ILE A 75 -2.892 -8.128 1.055 1.00 25.42 H new ATOM 0 HD12 ILE A 75 -4.260 -8.520 -0.013 1.00 25.42 H new ATOM 0 HD13 ILE A 75 -4.463 -7.327 1.291 1.00 25.42 H new ATOM 1183 N ASP A 76 -8.288 -10.683 -0.685 1.00 41.10 N ATOM 1184 CA ASP A 76 -9.681 -10.717 -1.177 1.00 63.50 C ATOM 1185 C ASP A 76 -9.689 -11.202 -2.639 1.00 20.13 C ATOM 1186 O ASP A 76 -10.367 -10.632 -3.496 1.00 23.45 O ATOM 1187 CB ASP A 76 -10.384 -9.345 -1.012 1.00 12.21 C ATOM 1188 CG ASP A 76 -11.880 -9.463 -0.709 1.00 74.30 C ATOM 1189 OD1 ASP A 76 -12.691 -8.784 -1.377 1.00 31.51 O ATOM 1190 OD2 ASP A 76 -12.252 -10.121 0.289 1.00 42.33 O ATOM 0 H ASP A 76 -7.602 -10.797 -1.431 1.00 41.10 H new ATOM 0 HA ASP A 76 -10.255 -11.420 -0.573 1.00 63.50 H new ATOM 0 HB2 ASP A 76 -9.900 -8.791 -0.207 1.00 12.21 H new ATOM 0 HB3 ASP A 76 -10.250 -8.764 -1.924 1.00 12.21 H new ATOM 1195 N GLY A 77 -8.812 -12.154 -2.982 1.00 55.23 N ATOM 1196 CA GLY A 77 -8.622 -12.672 -4.338 1.00 62.32 C ATOM 1197 C GLY A 77 -8.102 -11.644 -5.352 1.00 60.44 C ATOM 1198 O GLY A 77 -8.037 -11.934 -6.544 1.00 34.43 O ATOM 0 H GLY A 77 -8.197 -12.597 -2.300 1.00 55.23 H new ATOM 0 HA2 GLY A 77 -7.923 -13.508 -4.298 1.00 62.32 H new ATOM 0 HA3 GLY A 77 -9.572 -13.068 -4.697 1.00 62.32 H new ATOM 1202 N LYS A 78 -7.607 -10.496 -4.884 1.00 40.14 N ATOM 1203 CA LYS A 78 -6.984 -9.435 -5.661 1.00 71.43 C ATOM 1204 C LYS A 78 -5.493 -9.432 -5.371 1.00 71.43 C ATOM 1205 O LYS A 78 -5.096 -9.132 -4.244 1.00 52.24 O ATOM 1206 CB LYS A 78 -7.618 -8.070 -5.356 1.00 34.14 C ATOM 1207 CG LYS A 78 -8.177 -7.828 -3.943 1.00 33.32 C ATOM 1208 CD LYS A 78 -7.186 -7.856 -2.776 1.00 14.14 C ATOM 1209 CE LYS A 78 -7.771 -7.115 -1.574 1.00 24.35 C ATOM 1210 NZ LYS A 78 -6.978 -7.235 -0.334 1.00 42.10 N ATOM 0 H LYS A 78 -7.635 -10.274 -3.889 1.00 40.14 H new ATOM 0 HA LYS A 78 -7.146 -9.621 -6.723 1.00 71.43 H new ATOM 0 HB2 LYS A 78 -6.869 -7.303 -5.554 1.00 34.14 H new ATOM 0 HB3 LYS A 78 -8.430 -7.913 -6.067 1.00 34.14 H new ATOM 0 HG2 LYS A 78 -8.673 -6.858 -3.939 1.00 33.32 H new ATOM 0 HG3 LYS A 78 -8.943 -8.579 -3.751 1.00 33.32 H new ATOM 0 HD2 LYS A 78 -6.962 -8.887 -2.504 1.00 14.14 H new ATOM 0 HD3 LYS A 78 -6.246 -7.394 -3.076 1.00 14.14 H new ATOM 0 HE2 LYS A 78 -7.869 -6.059 -1.827 1.00 24.35 H new ATOM 0 HE3 LYS A 78 -8.776 -7.492 -1.385 1.00 24.35 H new ATOM 0 HZ1 LYS A 78 -7.619 -7.299 0.483 1.00 42.10 H new ATOM 0 HZ2 LYS A 78 -6.389 -8.091 -0.380 1.00 42.10 H new ATOM 0 HZ3 LYS A 78 -6.367 -6.400 -0.230 1.00 42.10 H new ATOM 1224 N THR A 79 -4.657 -9.801 -6.333 1.00 15.14 N ATOM 1225 CA THR A 79 -3.227 -9.684 -6.121 1.00 40.11 C ATOM 1226 C THR A 79 -2.855 -8.193 -6.167 1.00 13.33 C ATOM 1227 O THR A 79 -2.975 -7.531 -7.205 1.00 40.44 O ATOM 1228 CB THR A 79 -2.440 -10.529 -7.126 1.00 43.52 C ATOM 1229 OG1 THR A 79 -3.178 -11.640 -7.608 1.00 32.22 O ATOM 1230 CG2 THR A 79 -1.178 -11.056 -6.447 1.00 72.03 C ATOM 0 H THR A 79 -4.936 -10.173 -7.241 1.00 15.14 H new ATOM 0 HA THR A 79 -2.957 -10.080 -5.142 1.00 40.11 H new ATOM 0 HB THR A 79 -2.208 -9.886 -7.975 1.00 43.52 H new ATOM 0 HG1 THR A 79 -2.631 -12.144 -8.246 1.00 32.22 H new ATOM 0 HG21 THR A 79 -0.609 -11.660 -7.154 1.00 72.03 H new ATOM 0 HG22 THR A 79 -0.567 -10.217 -6.113 1.00 72.03 H new ATOM 0 HG23 THR A 79 -1.455 -11.668 -5.588 1.00 72.03 H new ATOM 1238 N ILE A 80 -2.491 -7.642 -5.013 1.00 64.15 N ATOM 1239 CA ILE A 80 -2.085 -6.264 -4.814 1.00 3.22 C ATOM 1240 C ILE A 80 -0.826 -6.009 -5.655 1.00 51.22 C ATOM 1241 O ILE A 80 0.068 -6.847 -5.728 1.00 52.54 O ATOM 1242 CB ILE A 80 -1.842 -6.017 -3.304 1.00 52.32 C ATOM 1243 CG1 ILE A 80 -3.029 -6.403 -2.386 1.00 1.12 C ATOM 1244 CG2 ILE A 80 -1.471 -4.553 -3.035 1.00 55.43 C ATOM 1245 CD1 ILE A 80 -4.286 -5.551 -2.583 1.00 1.43 C ATOM 0 H ILE A 80 -2.472 -8.179 -4.146 1.00 64.15 H new ATOM 0 HA ILE A 80 -2.860 -5.569 -5.136 1.00 3.22 H new ATOM 0 HB ILE A 80 -1.014 -6.680 -3.053 1.00 52.32 H new ATOM 0 HG12 ILE A 80 -3.283 -7.448 -2.561 1.00 1.12 H new ATOM 0 HG13 ILE A 80 -2.710 -6.322 -1.347 1.00 1.12 H new ATOM 0 HG21 ILE A 80 -1.306 -4.410 -1.967 1.00 55.43 H new ATOM 0 HG22 ILE A 80 -0.560 -4.302 -3.579 1.00 55.43 H new ATOM 0 HG23 ILE A 80 -2.282 -3.905 -3.367 1.00 55.43 H new ATOM 0 HD11 ILE A 80 -5.066 -5.890 -1.901 1.00 1.43 H new ATOM 0 HD12 ILE A 80 -4.053 -4.506 -2.378 1.00 1.43 H new ATOM 0 HD13 ILE A 80 -4.635 -5.650 -3.611 1.00 1.43 H new ATOM 1257 N ASN A 81 -0.769 -4.847 -6.299 1.00 0.41 N ATOM 1258 CA ASN A 81 0.396 -4.302 -7.006 1.00 21.13 C ATOM 1259 C ASN A 81 1.171 -3.401 -6.051 1.00 54.13 C ATOM 1260 O ASN A 81 0.578 -2.880 -5.106 1.00 4.53 O ATOM 1261 CB ASN A 81 -0.129 -3.372 -8.102 1.00 54.41 C ATOM 1262 CG ASN A 81 -0.356 -3.969 -9.476 1.00 53.15 C ATOM 1263 OD1 ASN A 81 -0.227 -3.274 -10.478 1.00 24.12 O ATOM 1264 ND2 ASN A 81 -0.818 -5.199 -9.544 1.00 4.43 N ATOM 0 H ASN A 81 -1.575 -4.224 -6.347 1.00 0.41 H new ATOM 0 HA ASN A 81 1.013 -5.114 -7.391 1.00 21.13 H new ATOM 0 HB2 ASN A 81 -1.073 -2.948 -7.760 1.00 54.41 H new ATOM 0 HB3 ASN A 81 0.573 -2.545 -8.206 1.00 54.41 H new ATOM 0 HD21 ASN A 81 -1.079 -5.597 -10.446 1.00 4.43 H new ATOM 0 HD22 ASN A 81 -0.915 -5.755 -8.694 1.00 4.43 H new ATOM 1271 N VAL A 82 2.415 -3.079 -6.398 1.00 74.14 N ATOM 1272 CA VAL A 82 3.247 -2.084 -5.727 1.00 3.41 C ATOM 1273 C VAL A 82 3.693 -1.069 -6.794 1.00 40.23 C ATOM 1274 O VAL A 82 3.994 -1.467 -7.922 1.00 15.34 O ATOM 1275 CB VAL A 82 4.448 -2.796 -5.046 1.00 23.04 C ATOM 1276 CG1 VAL A 82 5.191 -1.855 -4.088 1.00 73.25 C ATOM 1277 CG2 VAL A 82 4.030 -4.038 -4.232 1.00 20.03 C ATOM 0 H VAL A 82 2.889 -3.522 -7.185 1.00 74.14 H new ATOM 0 HA VAL A 82 2.705 -1.557 -4.942 1.00 3.41 H new ATOM 0 HB VAL A 82 5.094 -3.103 -5.869 1.00 23.04 H new ATOM 0 HG11 VAL A 82 6.025 -2.387 -3.630 1.00 73.25 H new ATOM 0 HG12 VAL A 82 5.569 -0.996 -4.642 1.00 73.25 H new ATOM 0 HG13 VAL A 82 4.507 -1.513 -3.311 1.00 73.25 H new ATOM 0 HG21 VAL A 82 4.913 -4.491 -3.781 1.00 20.03 H new ATOM 0 HG22 VAL A 82 3.333 -3.742 -3.448 1.00 20.03 H new ATOM 0 HG23 VAL A 82 3.548 -4.760 -4.891 1.00 20.03 H new ATOM 1287 N GLU A 83 3.801 0.214 -6.460 1.00 35.01 N ATOM 1288 CA GLU A 83 4.457 1.257 -7.245 1.00 75.02 C ATOM 1289 C GLU A 83 5.406 2.028 -6.335 1.00 32.40 C ATOM 1290 O GLU A 83 5.278 1.996 -5.111 1.00 53.23 O ATOM 1291 CB GLU A 83 3.434 2.241 -7.845 1.00 72.25 C ATOM 1292 CG GLU A 83 3.116 2.033 -9.325 1.00 74.42 C ATOM 1293 CD GLU A 83 2.200 3.152 -9.839 1.00 21.14 C ATOM 1294 OE1 GLU A 83 2.709 4.157 -10.394 1.00 43.53 O ATOM 1295 OE2 GLU A 83 0.959 3.058 -9.705 1.00 53.43 O ATOM 0 H GLU A 83 3.413 0.574 -5.588 1.00 35.01 H new ATOM 0 HA GLU A 83 4.997 0.783 -8.065 1.00 75.02 H new ATOM 0 HB2 GLU A 83 2.507 2.166 -7.277 1.00 72.25 H new ATOM 0 HB3 GLU A 83 3.809 3.256 -7.710 1.00 72.25 H new ATOM 0 HG2 GLU A 83 4.040 2.017 -9.903 1.00 74.42 H new ATOM 0 HG3 GLU A 83 2.634 1.066 -9.467 1.00 74.42 H new ATOM 1302 N PHE A 84 6.299 2.798 -6.949 1.00 22.10 N ATOM 1303 CA PHE A 84 7.346 3.562 -6.270 1.00 20.34 C ATOM 1304 C PHE A 84 7.462 4.958 -6.871 1.00 0.44 C ATOM 1305 O PHE A 84 8.295 5.203 -7.751 1.00 0.21 O ATOM 1306 CB PHE A 84 8.681 2.804 -6.346 1.00 22.24 C ATOM 1307 CG PHE A 84 9.814 3.346 -5.482 1.00 4.30 C ATOM 1308 CD1 PHE A 84 9.593 3.735 -4.143 1.00 41.41 C ATOM 1309 CD2 PHE A 84 11.127 3.377 -5.995 1.00 71.31 C ATOM 1310 CE1 PHE A 84 10.670 4.142 -3.334 1.00 13.50 C ATOM 1311 CE2 PHE A 84 12.204 3.776 -5.183 1.00 52.45 C ATOM 1312 CZ PHE A 84 11.977 4.157 -3.850 1.00 73.41 C ATOM 0 H PHE A 84 6.317 2.913 -7.962 1.00 22.10 H new ATOM 0 HA PHE A 84 7.081 3.677 -5.219 1.00 20.34 H new ATOM 0 HB2 PHE A 84 8.502 1.766 -6.064 1.00 22.24 H new ATOM 0 HB3 PHE A 84 9.014 2.800 -7.384 1.00 22.24 H new ATOM 0 HD1 PHE A 84 8.592 3.720 -3.737 1.00 41.41 H new ATOM 0 HD2 PHE A 84 11.307 3.092 -7.021 1.00 71.31 H new ATOM 0 HE1 PHE A 84 10.491 4.444 -2.313 1.00 13.50 H new ATOM 0 HE2 PHE A 84 13.206 3.789 -5.585 1.00 52.45 H new ATOM 0 HZ PHE A 84 12.804 4.460 -3.224 1.00 73.41 H new ATOM 1322 N ALA A 85 6.626 5.893 -6.419 1.00 22.43 N ATOM 1323 CA ALA A 85 6.669 7.283 -6.857 1.00 75.41 C ATOM 1324 C ALA A 85 7.605 8.064 -5.939 1.00 44.43 C ATOM 1325 O ALA A 85 7.195 8.984 -5.230 1.00 3.50 O ATOM 1326 CB ALA A 85 5.268 7.880 -6.841 1.00 64.13 C ATOM 0 H ALA A 85 5.895 5.703 -5.733 1.00 22.43 H new ATOM 0 HA ALA A 85 7.045 7.338 -7.879 1.00 75.41 H new ATOM 0 HB1 ALA A 85 5.311 8.918 -7.170 1.00 64.13 H new ATOM 0 HB2 ALA A 85 4.623 7.313 -7.513 1.00 64.13 H new ATOM 0 HB3 ALA A 85 4.865 7.836 -5.829 1.00 64.13 H new ATOM 1332 N LYS A 86 8.871 7.665 -5.918 1.00 23.10 N ATOM 1333 CA LYS A 86 9.930 8.336 -5.190 1.00 13.41 C ATOM 1334 C LYS A 86 10.073 9.764 -5.752 1.00 20.04 C ATOM 1335 O LYS A 86 10.805 9.984 -6.719 1.00 11.30 O ATOM 1336 CB LYS A 86 11.201 7.471 -5.315 1.00 60.02 C ATOM 1337 CG LYS A 86 12.202 7.640 -4.168 1.00 11.10 C ATOM 1338 CD LYS A 86 12.523 9.102 -3.886 1.00 40.24 C ATOM 1339 CE LYS A 86 13.846 9.224 -3.136 1.00 3.41 C ATOM 1340 NZ LYS A 86 14.533 10.496 -3.431 1.00 44.55 N ATOM 0 H LYS A 86 9.194 6.840 -6.424 1.00 23.10 H new ATOM 0 HA LYS A 86 9.721 8.445 -4.126 1.00 13.41 H new ATOM 0 HB2 LYS A 86 10.907 6.423 -5.372 1.00 60.02 H new ATOM 0 HB3 LYS A 86 11.699 7.714 -6.254 1.00 60.02 H new ATOM 0 HG2 LYS A 86 11.798 7.179 -3.266 1.00 11.10 H new ATOM 0 HG3 LYS A 86 13.122 7.110 -4.412 1.00 11.10 H new ATOM 0 HD2 LYS A 86 12.577 9.656 -4.823 1.00 40.24 H new ATOM 0 HD3 LYS A 86 11.722 9.549 -3.297 1.00 40.24 H new ATOM 0 HE2 LYS A 86 13.663 9.151 -2.064 1.00 3.41 H new ATOM 0 HE3 LYS A 86 14.494 8.391 -3.406 1.00 3.41 H new ATOM 0 HZ1 LYS A 86 15.427 10.539 -2.902 1.00 44.55 H new ATOM 0 HZ2 LYS A 86 14.731 10.555 -4.450 1.00 44.55 H new ATOM 0 HZ3 LYS A 86 13.926 11.292 -3.149 1.00 44.55 H new