USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 92 ZNZN :(H bumps) USER MOD Set 1.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot -166:sc= 0.495 USER MOD Set 2.1: A 6 THR OG1 : rot 128:sc= 1.38 USER MOD Set 2.2: A 55 GLN : amide:sc= 0.766 K(o=2.1,f=-4.5!) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.00786 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -156:sc= -0.044 (180deg=-0.375) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 11 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.2) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= 1.11 (180deg=0.948) USER MOD Single : A 16 SER OG : rot 101:sc= 1.24 USER MOD Single : A 18 TYR OH : rot 180:sc= 0.287 USER MOD Single : A 24 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.12) USER MOD Single : A 26 HIS : no HD1:sc= -0.0269 K(o=-0.027,f=-0.83) USER MOD Single : A 28 TYR OH : rot 143:sc= 1.26 USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00702) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.142 USER MOD Single : A 60 SER OG : rot -83:sc= -0.221! USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= 2.21 (180deg=-0.0619!) USER MOD Single : A 69 LYS NZ :NH3+ 144:sc= 1.65 (180deg=0.521) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 148:sc= 1.25 (180deg=-0.0904) USER MOD Single : A 83 GLN : amide:sc= 1.61 K(o=1.6,f=-5.6!) USER MOD Single : A 85 LYS NZ :NH3+ 150:sc= 0.938 (180deg=-0.215!) USER MOD Single : A 91 LYS NZ :NH3+ -125:sc= -0.237! (180deg=-4.05!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.382 -8.902 11.501 1.00 0.00 N ATOM 2 CA GLY A 1 12.623 -9.609 10.444 1.00 0.00 C ATOM 3 C GLY A 1 13.000 -11.071 10.366 1.00 0.00 C ATOM 4 O GLY A 1 14.176 -11.422 10.484 1.00 0.00 O ATOM 0 H1 GLY A 1 13.729 -7.994 11.131 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.761 -8.729 12.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.190 -9.486 11.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.555 -9.519 10.641 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.811 -9.133 9.481 1.00 0.00 H new ATOM 10 N SER A 2 12.006 -11.922 10.184 1.00 0.00 N ATOM 11 CA SER A 2 12.235 -13.352 10.056 1.00 0.00 C ATOM 12 C SER A 2 11.799 -13.834 8.680 1.00 0.00 C ATOM 13 O SER A 2 12.218 -14.895 8.209 1.00 0.00 O ATOM 14 CB SER A 2 11.476 -14.095 11.151 1.00 0.00 C ATOM 15 OG SER A 2 11.229 -13.245 12.260 1.00 0.00 O ATOM 0 H SER A 2 11.026 -11.646 10.121 1.00 0.00 H new ATOM 0 HA SER A 2 13.300 -13.555 10.167 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.531 -14.468 10.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.051 -14.963 11.474 1.00 0.00 H new ATOM 0 HG SER A 2 10.740 -13.741 12.950 1.00 0.00 H new ATOM 21 N MET A 3 10.958 -13.038 8.042 1.00 0.00 N ATOM 22 CA MET A 3 10.469 -13.334 6.709 1.00 0.00 C ATOM 23 C MET A 3 10.645 -12.111 5.817 1.00 0.00 C ATOM 24 O MET A 3 10.201 -11.014 6.169 1.00 0.00 O ATOM 25 CB MET A 3 8.994 -13.742 6.762 1.00 0.00 C ATOM 26 CG MET A 3 8.392 -14.041 5.395 1.00 0.00 C ATOM 27 SD MET A 3 7.371 -15.530 5.390 1.00 0.00 S ATOM 28 CE MET A 3 8.607 -16.794 5.683 1.00 0.00 C ATOM 0 H MET A 3 10.596 -12.169 8.435 1.00 0.00 H new ATOM 0 HA MET A 3 11.042 -14.164 6.296 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.893 -14.624 7.395 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.422 -12.943 7.234 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.789 -13.191 5.075 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.195 -14.154 4.666 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.249 -17.749 5.298 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.533 -16.522 5.176 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.792 -16.881 6.754 1.00 0.00 H new ATOM 38 N PRO A 4 11.313 -12.278 4.667 1.00 0.00 N ATOM 39 CA PRO A 4 11.544 -11.189 3.712 1.00 0.00 C ATOM 40 C PRO A 4 10.241 -10.525 3.268 1.00 0.00 C ATOM 41 O PRO A 4 9.441 -11.114 2.542 1.00 0.00 O ATOM 42 CB PRO A 4 12.236 -11.876 2.523 1.00 0.00 C ATOM 43 CG PRO A 4 12.013 -13.339 2.724 1.00 0.00 C ATOM 44 CD PRO A 4 11.906 -13.541 4.207 1.00 0.00 C ATOM 0 HA PRO A 4 12.139 -10.387 4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.814 -11.541 1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.300 -11.641 2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.105 -13.668 2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.837 -13.920 2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.277 -14.396 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.880 -13.720 4.662 1.00 0.00 H new ATOM 52 N THR A 5 10.025 -9.299 3.727 1.00 0.00 N ATOM 53 CA THR A 5 8.821 -8.559 3.392 1.00 0.00 C ATOM 54 C THR A 5 8.973 -7.860 2.046 1.00 0.00 C ATOM 55 O THR A 5 9.352 -6.691 1.973 1.00 0.00 O ATOM 56 CB THR A 5 8.490 -7.536 4.491 1.00 0.00 C ATOM 57 OG1 THR A 5 9.256 -7.842 5.667 1.00 0.00 O ATOM 58 CG2 THR A 5 7.005 -7.566 4.822 1.00 0.00 C ATOM 0 H THR A 5 10.672 -8.797 4.335 1.00 0.00 H new ATOM 0 HA THR A 5 7.997 -9.269 3.320 1.00 0.00 H new ATOM 0 HB THR A 5 8.743 -6.538 4.134 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.050 -7.191 6.370 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.791 -6.835 5.602 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.428 -7.324 3.929 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.730 -8.561 5.172 1.00 0.00 H new ATOM 66 N THR A 6 8.711 -8.605 0.984 1.00 0.00 N ATOM 67 CA THR A 6 8.800 -8.082 -0.365 1.00 0.00 C ATOM 68 C THR A 6 7.619 -7.168 -0.685 1.00 0.00 C ATOM 69 O THR A 6 6.460 -7.542 -0.488 1.00 0.00 O ATOM 70 CB THR A 6 8.842 -9.235 -1.385 1.00 0.00 C ATOM 71 OG1 THR A 6 8.879 -10.492 -0.689 1.00 0.00 O ATOM 72 CG2 THR A 6 10.055 -9.115 -2.296 1.00 0.00 C ATOM 0 H THR A 6 8.432 -9.585 1.035 1.00 0.00 H new ATOM 0 HA THR A 6 9.719 -7.500 -0.432 1.00 0.00 H new ATOM 0 HB THR A 6 7.945 -9.182 -2.003 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.173 -11.077 -1.033 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.060 -9.942 -3.006 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.010 -8.171 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.965 -9.146 -1.697 1.00 0.00 H new ATOM 80 N CYS A 7 7.920 -5.963 -1.159 1.00 0.00 N ATOM 81 CA CYS A 7 6.889 -5.041 -1.594 1.00 0.00 C ATOM 82 C CYS A 7 6.266 -5.538 -2.887 1.00 0.00 C ATOM 83 O CYS A 7 6.951 -6.112 -3.743 1.00 0.00 O ATOM 84 CB CYS A 7 7.476 -3.645 -1.803 1.00 0.00 C ATOM 85 SG CYS A 7 6.248 -2.342 -2.166 1.00 0.00 S ATOM 0 H CYS A 7 8.871 -5.607 -1.250 1.00 0.00 H new ATOM 0 HA CYS A 7 6.121 -4.985 -0.823 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.031 -3.362 -0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.193 -3.687 -2.623 1.00 0.00 H new ATOM 90 N GLY A 8 4.977 -5.309 -3.026 1.00 0.00 N ATOM 91 CA GLY A 8 4.271 -5.751 -4.203 1.00 0.00 C ATOM 92 C GLY A 8 4.131 -4.647 -5.225 1.00 0.00 C ATOM 93 O GLY A 8 3.482 -4.826 -6.255 1.00 0.00 O ATOM 0 H GLY A 8 4.401 -4.821 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.800 -6.593 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.282 -6.110 -3.919 1.00 0.00 H new ATOM 97 N PHE A 9 4.740 -3.505 -4.942 1.00 0.00 N ATOM 98 CA PHE A 9 4.641 -2.353 -5.822 1.00 0.00 C ATOM 99 C PHE A 9 5.637 -2.447 -6.973 1.00 0.00 C ATOM 100 O PHE A 9 6.809 -2.760 -6.767 1.00 0.00 O ATOM 101 CB PHE A 9 4.873 -1.064 -5.040 1.00 0.00 C ATOM 102 CG PHE A 9 3.740 -0.093 -5.167 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.660 -0.155 -4.304 1.00 0.00 C ATOM 104 CD2 PHE A 9 3.750 0.873 -6.159 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.611 0.731 -4.425 1.00 0.00 C ATOM 106 CE2 PHE A 9 2.704 1.761 -6.285 1.00 0.00 C ATOM 107 CZ PHE A 9 1.633 1.692 -5.420 1.00 0.00 C ATOM 0 H PHE A 9 5.308 -3.353 -4.109 1.00 0.00 H new ATOM 0 HA PHE A 9 3.635 -2.342 -6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.022 -1.305 -3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.790 -0.592 -5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.639 -0.905 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.586 0.931 -6.841 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.774 0.675 -3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.723 2.511 -7.062 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.812 2.387 -5.519 1.00 0.00 H new ATOM 117 N PRO A 10 5.178 -2.170 -8.206 1.00 0.00 N ATOM 118 CA PRO A 10 6.038 -2.188 -9.396 1.00 0.00 C ATOM 119 C PRO A 10 7.094 -1.089 -9.369 1.00 0.00 C ATOM 120 O PRO A 10 8.110 -1.168 -10.061 1.00 0.00 O ATOM 121 CB PRO A 10 5.061 -1.963 -10.554 1.00 0.00 C ATOM 122 CG PRO A 10 3.882 -1.293 -9.936 1.00 0.00 C ATOM 123 CD PRO A 10 3.781 -1.838 -8.542 1.00 0.00 C ATOM 0 HA PRO A 10 6.600 -3.119 -9.472 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.506 -1.342 -11.331 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.779 -2.906 -11.022 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.010 -0.211 -9.924 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.974 -1.500 -10.503 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.365 -1.104 -7.852 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.137 -2.716 -8.499 1.00 0.00 H new ATOM 131 N ASN A 11 6.853 -0.072 -8.564 1.00 0.00 N ATOM 132 CA ASN A 11 7.784 1.042 -8.441 1.00 0.00 C ATOM 133 C ASN A 11 7.929 1.474 -6.989 1.00 0.00 C ATOM 134 O ASN A 11 7.447 2.535 -6.587 1.00 0.00 O ATOM 135 CB ASN A 11 7.336 2.236 -9.294 1.00 0.00 C ATOM 136 CG ASN A 11 8.494 3.149 -9.660 1.00 0.00 C ATOM 137 OD1 ASN A 11 9.289 3.541 -8.803 1.00 0.00 O ATOM 138 ND2 ASN A 11 8.598 3.495 -10.933 1.00 0.00 N ATOM 0 H ASN A 11 6.019 0.009 -7.982 1.00 0.00 H new ATOM 0 HA ASN A 11 8.752 0.697 -8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.862 1.871 -10.205 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.584 2.807 -8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.356 4.107 -11.235 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.920 3.150 -11.612 1.00 0.00 H new ATOM 145 N CYS A 12 8.577 0.634 -6.198 1.00 0.00 N ATOM 146 CA CYS A 12 8.894 0.985 -4.832 1.00 0.00 C ATOM 147 C CYS A 12 10.197 1.781 -4.791 1.00 0.00 C ATOM 148 O CYS A 12 11.286 1.222 -4.635 1.00 0.00 O ATOM 149 CB CYS A 12 9.004 -0.270 -3.973 1.00 0.00 C ATOM 150 SG CYS A 12 9.130 0.067 -2.188 1.00 0.00 S ATOM 0 H CYS A 12 8.892 -0.294 -6.482 1.00 0.00 H new ATOM 0 HA CYS A 12 8.092 1.604 -4.429 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.133 -0.900 -4.153 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.879 -0.839 -4.288 1.00 0.00 H new ATOM 155 N LYS A 13 10.076 3.089 -4.957 1.00 0.00 N ATOM 156 CA LYS A 13 11.235 3.967 -4.961 1.00 0.00 C ATOM 157 C LYS A 13 11.573 4.432 -3.552 1.00 0.00 C ATOM 158 O LYS A 13 12.551 5.146 -3.342 1.00 0.00 O ATOM 159 CB LYS A 13 10.988 5.173 -5.870 1.00 0.00 C ATOM 160 CG LYS A 13 9.913 6.125 -5.365 1.00 0.00 C ATOM 161 CD LYS A 13 10.431 7.552 -5.280 1.00 0.00 C ATOM 162 CE LYS A 13 10.618 8.161 -6.662 1.00 0.00 C ATOM 163 NZ LYS A 13 9.919 9.466 -6.796 1.00 0.00 N ATOM 0 H LYS A 13 9.185 3.566 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 13 12.084 3.402 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.921 5.724 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.705 4.816 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.051 6.088 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.571 5.801 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.733 8.160 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.380 7.564 -4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.682 8.298 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.242 7.470 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.763 9.674 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.003 9.421 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.502 10.217 -6.373 1.00 0.00 H new ATOM 177 N PHE A 14 10.766 4.016 -2.589 1.00 0.00 N ATOM 178 CA PHE A 14 10.960 4.427 -1.209 1.00 0.00 C ATOM 179 C PHE A 14 11.816 3.416 -0.463 1.00 0.00 C ATOM 180 O PHE A 14 12.927 3.722 -0.044 1.00 0.00 O ATOM 181 CB PHE A 14 9.613 4.591 -0.511 1.00 0.00 C ATOM 182 CG PHE A 14 8.732 5.625 -1.151 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.126 6.951 -1.206 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.510 5.268 -1.700 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.320 7.903 -1.796 1.00 0.00 C ATOM 186 CE2 PHE A 14 6.699 6.219 -2.291 1.00 0.00 C ATOM 187 CZ PHE A 14 7.106 7.537 -2.339 1.00 0.00 C ATOM 0 H PHE A 14 9.971 3.394 -2.738 1.00 0.00 H new ATOM 0 HA PHE A 14 11.477 5.386 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.094 3.633 -0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.783 4.863 0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.075 7.244 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.189 4.237 -1.666 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.639 8.934 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.748 5.931 -2.715 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.474 8.281 -2.801 1.00 0.00 H new ATOM 197 N ARG A 15 11.301 2.201 -0.332 1.00 0.00 N ATOM 198 CA ARG A 15 11.982 1.142 0.388 1.00 0.00 C ATOM 199 C ARG A 15 13.374 0.881 -0.191 1.00 0.00 C ATOM 200 O ARG A 15 14.315 0.576 0.544 1.00 0.00 O ATOM 201 CB ARG A 15 11.125 -0.121 0.333 1.00 0.00 C ATOM 202 CG ARG A 15 11.789 -1.348 0.915 1.00 0.00 C ATOM 203 CD ARG A 15 11.244 -2.626 0.296 1.00 0.00 C ATOM 204 NE ARG A 15 10.778 -2.425 -1.078 1.00 0.00 N ATOM 205 CZ ARG A 15 10.822 -3.356 -2.026 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.335 -4.557 -1.769 1.00 0.00 N ATOM 207 NH2 ARG A 15 10.347 -3.089 -3.233 1.00 0.00 N ATOM 0 H ARG A 15 10.400 1.925 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 15 12.120 1.447 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.193 0.062 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.862 -0.323 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.865 -1.293 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.633 -1.370 1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.020 -3.391 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.421 -3.000 0.905 1.00 0.00 H new ATOM 0 HE ARG A 15 10.395 -1.512 -1.323 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.698 -4.768 -0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.365 -5.266 -2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.949 -2.171 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.379 -3.801 -3.963 1.00 0.00 H new ATOM 221 N SER A 16 13.503 1.021 -1.505 1.00 0.00 N ATOM 222 CA SER A 16 14.769 0.776 -2.187 1.00 0.00 C ATOM 223 C SER A 16 15.705 1.988 -2.112 1.00 0.00 C ATOM 224 O SER A 16 16.840 1.937 -2.589 1.00 0.00 O ATOM 225 CB SER A 16 14.512 0.409 -3.649 1.00 0.00 C ATOM 226 OG SER A 16 13.349 -0.398 -3.779 1.00 0.00 O ATOM 0 H SER A 16 12.742 1.304 -2.123 1.00 0.00 H new ATOM 0 HA SER A 16 15.260 -0.054 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.395 1.318 -4.240 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.374 -0.124 -4.050 1.00 0.00 H new ATOM 0 HG SER A 16 12.599 0.156 -4.081 1.00 0.00 H new ATOM 232 N ARG A 17 15.230 3.074 -1.517 1.00 0.00 N ATOM 233 CA ARG A 17 16.026 4.291 -1.398 1.00 0.00 C ATOM 234 C ARG A 17 16.847 4.276 -0.111 1.00 0.00 C ATOM 235 O ARG A 17 17.851 4.983 0.010 1.00 0.00 O ATOM 236 CB ARG A 17 15.114 5.521 -1.428 1.00 0.00 C ATOM 237 CG ARG A 17 15.840 6.811 -1.766 1.00 0.00 C ATOM 238 CD ARG A 17 14.884 7.993 -1.859 1.00 0.00 C ATOM 239 NE ARG A 17 14.488 8.487 -0.538 1.00 0.00 N ATOM 240 CZ ARG A 17 15.305 9.120 0.305 1.00 0.00 C ATOM 241 NH1 ARG A 17 16.542 9.428 -0.062 1.00 0.00 N ATOM 242 NH2 ARG A 17 14.876 9.474 1.509 1.00 0.00 N ATOM 0 H ARG A 17 14.297 3.138 -1.109 1.00 0.00 H new ATOM 0 HA ARG A 17 16.713 4.337 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.322 5.358 -2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.633 5.629 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.594 7.013 -1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.366 6.694 -2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.358 8.799 -2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.995 7.697 -2.416 1.00 0.00 H new ATOM 0 HE ARG A 17 13.523 8.337 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.874 9.181 -0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.161 9.912 0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.919 9.262 1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.503 9.958 2.152 1.00 0.00 H new ATOM 256 N TYR A 18 16.421 3.463 0.842 1.00 0.00 N ATOM 257 CA TYR A 18 17.082 3.393 2.137 1.00 0.00 C ATOM 258 C TYR A 18 17.926 2.131 2.235 1.00 0.00 C ATOM 259 O TYR A 18 17.455 1.037 1.919 1.00 0.00 O ATOM 260 CB TYR A 18 16.048 3.428 3.268 1.00 0.00 C ATOM 261 CG TYR A 18 15.216 4.691 3.284 1.00 0.00 C ATOM 262 CD1 TYR A 18 14.111 4.826 2.454 1.00 0.00 C ATOM 263 CD2 TYR A 18 15.538 5.750 4.122 1.00 0.00 C ATOM 264 CE1 TYR A 18 13.354 5.981 2.453 1.00 0.00 C ATOM 265 CE2 TYR A 18 14.785 6.909 4.129 1.00 0.00 C ATOM 266 CZ TYR A 18 13.693 7.019 3.293 1.00 0.00 C ATOM 267 OH TYR A 18 12.939 8.176 3.296 1.00 0.00 O ATOM 0 H TYR A 18 15.619 2.841 0.744 1.00 0.00 H new ATOM 0 HA TYR A 18 17.737 4.259 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 18 15.386 2.567 3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 18 16.563 3.329 4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 18 13.839 4.013 1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 18 16.391 5.667 4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 18 12.501 6.070 1.797 1.00 0.00 H new ATOM 0 HE2 TYR A 18 15.050 7.724 4.786 1.00 0.00 H new ATOM 0 HH TYR A 18 13.312 8.808 3.946 1.00 0.00 H new ATOM 277 N ARG A 19 19.170 2.292 2.666 1.00 0.00 N ATOM 278 CA ARG A 19 20.096 1.171 2.784 1.00 0.00 C ATOM 279 C ARG A 19 19.551 0.128 3.754 1.00 0.00 C ATOM 280 O ARG A 19 19.319 0.415 4.929 1.00 0.00 O ATOM 281 CB ARG A 19 21.477 1.654 3.235 1.00 0.00 C ATOM 282 CG ARG A 19 22.448 1.871 2.081 1.00 0.00 C ATOM 283 CD ARG A 19 21.831 2.729 0.984 1.00 0.00 C ATOM 284 NE ARG A 19 22.816 3.170 -0.003 1.00 0.00 N ATOM 285 CZ ARG A 19 22.495 3.773 -1.149 1.00 0.00 C ATOM 286 NH1 ARG A 19 21.219 3.985 -1.454 1.00 0.00 N ATOM 287 NH2 ARG A 19 23.445 4.161 -1.988 1.00 0.00 N ATOM 0 H ARG A 19 19.563 3.192 2.941 1.00 0.00 H new ATOM 0 HA ARG A 19 20.200 0.709 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.365 2.587 3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.901 0.925 3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 19 23.354 2.350 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 19 22.744 0.907 1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 19 21.047 2.162 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.356 3.601 1.433 1.00 0.00 H new ATOM 0 HE ARG A 19 23.803 3.008 0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 19 20.485 3.687 -0.812 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.974 4.446 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 19 24.426 3.999 -1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 19 23.196 4.622 -2.863 1.00 0.00 H new ATOM 301 N GLY A 20 19.349 -1.079 3.249 1.00 0.00 N ATOM 302 CA GLY A 20 18.715 -2.119 4.030 1.00 0.00 C ATOM 303 C GLY A 20 17.441 -2.581 3.365 1.00 0.00 C ATOM 304 O GLY A 20 16.974 -3.697 3.593 1.00 0.00 O ATOM 0 H GLY A 20 19.615 -1.358 2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.397 -2.961 4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.495 -1.747 5.031 1.00 0.00 H new ATOM 308 N LEU A 21 16.897 -1.699 2.523 1.00 0.00 N ATOM 309 CA LEU A 21 15.686 -1.968 1.760 1.00 0.00 C ATOM 310 C LEU A 21 14.545 -2.411 2.665 1.00 0.00 C ATOM 311 O LEU A 21 13.849 -3.386 2.381 1.00 0.00 O ATOM 312 CB LEU A 21 15.951 -3.004 0.667 1.00 0.00 C ATOM 313 CG LEU A 21 16.157 -2.413 -0.727 1.00 0.00 C ATOM 314 CD1 LEU A 21 17.638 -2.205 -1.007 1.00 0.00 C ATOM 315 CD2 LEU A 21 15.528 -3.310 -1.783 1.00 0.00 C ATOM 0 H LEU A 21 17.291 -0.773 2.354 1.00 0.00 H new ATOM 0 HA LEU A 21 15.383 -1.037 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.835 -3.582 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.113 -3.700 0.633 1.00 0.00 H new ATOM 0 HG LEU A 21 15.665 -1.441 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 21 17.764 -1.784 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.055 -1.521 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.157 -3.162 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.684 -2.874 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.990 -4.296 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.459 -3.402 -1.592 1.00 0.00 H new ATOM 327 N GLU A 22 14.359 -1.682 3.755 1.00 0.00 N ATOM 328 CA GLU A 22 13.272 -1.962 4.680 1.00 0.00 C ATOM 329 C GLU A 22 12.330 -0.769 4.779 1.00 0.00 C ATOM 330 O GLU A 22 11.443 -0.742 5.632 1.00 0.00 O ATOM 331 CB GLU A 22 13.827 -2.310 6.061 1.00 0.00 C ATOM 332 CG GLU A 22 13.479 -3.715 6.519 1.00 0.00 C ATOM 333 CD GLU A 22 14.353 -4.187 7.662 1.00 0.00 C ATOM 334 OE1 GLU A 22 14.340 -3.536 8.729 1.00 0.00 O ATOM 335 OE2 GLU A 22 15.055 -5.208 7.501 1.00 0.00 O ATOM 0 H GLU A 22 14.947 -0.892 4.020 1.00 0.00 H new ATOM 0 HA GLU A 22 12.710 -2.816 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.911 -2.200 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.444 -1.594 6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.434 -3.744 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.582 -4.403 5.680 1.00 0.00 H new ATOM 342 N ASP A 23 12.565 0.222 3.914 1.00 0.00 N ATOM 343 CA ASP A 23 11.748 1.450 3.836 1.00 0.00 C ATOM 344 C ASP A 23 11.948 2.361 5.050 1.00 0.00 C ATOM 345 O ASP A 23 11.757 3.573 4.956 1.00 0.00 O ATOM 346 CB ASP A 23 10.257 1.123 3.669 1.00 0.00 C ATOM 347 CG ASP A 23 9.437 2.339 3.275 1.00 0.00 C ATOM 348 OD1 ASP A 23 9.837 3.048 2.326 1.00 0.00 O ATOM 349 OD2 ASP A 23 8.397 2.595 3.921 1.00 0.00 O ATOM 0 H ASP A 23 13.331 0.200 3.241 1.00 0.00 H new ATOM 0 HA ASP A 23 12.092 1.988 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.141 0.349 2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.871 0.715 4.603 1.00 0.00 H new ATOM 354 N ASN A 24 12.336 1.766 6.183 1.00 0.00 N ATOM 355 CA ASN A 24 12.522 2.486 7.446 1.00 0.00 C ATOM 356 C ASN A 24 11.171 2.860 8.038 1.00 0.00 C ATOM 357 O ASN A 24 11.076 3.669 8.964 1.00 0.00 O ATOM 358 CB ASN A 24 13.391 3.736 7.259 1.00 0.00 C ATOM 359 CG ASN A 24 14.026 4.193 8.555 1.00 0.00 C ATOM 360 OD1 ASN A 24 14.763 3.443 9.197 1.00 0.00 O ATOM 361 ND2 ASN A 24 13.750 5.426 8.949 1.00 0.00 N ATOM 0 H ASN A 24 12.531 0.767 6.249 1.00 0.00 H new ATOM 0 HA ASN A 24 13.043 1.824 8.137 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.172 3.527 6.528 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.781 4.542 6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.153 5.787 9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.135 6.015 8.388 1.00 0.00 H new ATOM 368 N ARG A 25 10.129 2.251 7.499 1.00 0.00 N ATOM 369 CA ARG A 25 8.776 2.485 7.960 1.00 0.00 C ATOM 370 C ARG A 25 8.081 1.150 8.218 1.00 0.00 C ATOM 371 O ARG A 25 8.729 0.101 8.247 1.00 0.00 O ATOM 372 CB ARG A 25 8.001 3.311 6.928 1.00 0.00 C ATOM 373 CG ARG A 25 8.483 4.750 6.809 1.00 0.00 C ATOM 374 CD ARG A 25 7.986 5.397 5.526 1.00 0.00 C ATOM 375 NE ARG A 25 8.171 6.851 5.524 1.00 0.00 N ATOM 376 CZ ARG A 25 7.190 7.727 5.744 1.00 0.00 C ATOM 377 NH1 ARG A 25 5.969 7.299 6.043 1.00 0.00 N ATOM 378 NH2 ARG A 25 7.425 9.030 5.664 1.00 0.00 N ATOM 0 H ARG A 25 10.199 1.583 6.732 1.00 0.00 H new ATOM 0 HA ARG A 25 8.806 3.048 8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.082 2.828 5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.944 3.312 7.196 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.134 5.324 7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.573 4.773 6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.515 4.965 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.929 5.168 5.393 1.00 0.00 H new ATOM 0 HE ARG A 25 9.107 7.215 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.780 6.299 6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.220 7.971 6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.360 9.366 5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.671 9.696 5.833 1.00 0.00 H new ATOM 392 N HIS A 26 6.771 1.189 8.411 1.00 0.00 N ATOM 393 CA HIS A 26 6.001 -0.012 8.700 1.00 0.00 C ATOM 394 C HIS A 26 5.499 -0.652 7.405 1.00 0.00 C ATOM 395 O HIS A 26 5.238 0.039 6.421 1.00 0.00 O ATOM 396 CB HIS A 26 4.816 0.334 9.610 1.00 0.00 C ATOM 397 CG HIS A 26 4.091 -0.861 10.148 1.00 0.00 C ATOM 398 ND1 HIS A 26 4.752 -2.027 10.456 1.00 0.00 N ATOM 399 CD2 HIS A 26 2.770 -1.023 10.393 1.00 0.00 C ATOM 400 CE1 HIS A 26 3.823 -2.864 10.882 1.00 0.00 C ATOM 401 NE2 HIS A 26 2.608 -2.300 10.860 1.00 0.00 N ATOM 0 H HIS A 26 6.216 2.044 8.372 1.00 0.00 H new ATOM 0 HA HIS A 26 6.647 -0.726 9.211 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.176 0.934 10.446 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.112 0.953 9.053 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.993 -0.287 10.248 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.018 -3.875 11.207 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.730 -2.738 11.138 1.00 0.00 H new ATOM 409 N PHE A 27 5.363 -1.971 7.415 1.00 0.00 N ATOM 410 CA PHE A 27 4.843 -2.693 6.261 1.00 0.00 C ATOM 411 C PHE A 27 3.393 -3.086 6.505 1.00 0.00 C ATOM 412 O PHE A 27 3.084 -3.828 7.445 1.00 0.00 O ATOM 413 CB PHE A 27 5.692 -3.931 5.960 1.00 0.00 C ATOM 414 CG PHE A 27 6.693 -3.704 4.862 1.00 0.00 C ATOM 415 CD1 PHE A 27 7.859 -2.995 5.107 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.466 -4.193 3.586 1.00 0.00 C ATOM 417 CE1 PHE A 27 8.778 -2.779 4.098 1.00 0.00 C ATOM 418 CE2 PHE A 27 7.382 -3.982 2.575 1.00 0.00 C ATOM 419 CZ PHE A 27 8.541 -3.275 2.832 1.00 0.00 C ATOM 0 H PHE A 27 5.605 -2.563 8.209 1.00 0.00 H new ATOM 0 HA PHE A 27 4.890 -2.036 5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.217 -4.234 6.866 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.036 -4.756 5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.051 -2.608 6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.562 -4.746 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.681 -2.222 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.193 -4.369 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.260 -3.111 2.043 1.00 0.00 H new ATOM 429 N TYR A 28 2.506 -2.581 5.661 1.00 0.00 N ATOM 430 CA TYR A 28 1.076 -2.777 5.832 1.00 0.00 C ATOM 431 C TYR A 28 0.605 -4.051 5.149 1.00 0.00 C ATOM 432 O TYR A 28 1.199 -4.505 4.166 1.00 0.00 O ATOM 433 CB TYR A 28 0.308 -1.589 5.249 1.00 0.00 C ATOM 434 CG TYR A 28 0.283 -0.366 6.138 1.00 0.00 C ATOM 435 CD1 TYR A 28 0.353 -0.481 7.522 1.00 0.00 C ATOM 436 CD2 TYR A 28 0.179 0.905 5.590 1.00 0.00 C ATOM 437 CE1 TYR A 28 0.320 0.636 8.333 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.149 2.028 6.395 1.00 0.00 C ATOM 439 CZ TYR A 28 0.218 1.888 7.766 1.00 0.00 C ATOM 440 OH TYR A 28 0.178 3.002 8.573 1.00 0.00 O ATOM 0 H TYR A 28 2.756 -2.026 4.842 1.00 0.00 H new ATOM 0 HA TYR A 28 0.882 -2.860 6.901 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.753 -1.318 4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.718 -1.898 5.048 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.435 -1.460 7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.121 1.018 4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.374 0.529 9.406 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.072 3.010 5.953 1.00 0.00 H new ATOM 0 HH TYR A 28 0.668 3.734 8.144 1.00 0.00 H new ATOM 450 N ARG A 29 -0.461 -4.625 5.682 1.00 0.00 N ATOM 451 CA ARG A 29 -1.136 -5.734 5.033 1.00 0.00 C ATOM 452 C ARG A 29 -2.254 -5.190 4.159 1.00 0.00 C ATOM 453 O ARG A 29 -2.589 -4.007 4.245 1.00 0.00 O ATOM 454 CB ARG A 29 -1.712 -6.714 6.060 1.00 0.00 C ATOM 455 CG ARG A 29 -1.096 -6.594 7.442 1.00 0.00 C ATOM 456 CD ARG A 29 0.111 -7.501 7.600 1.00 0.00 C ATOM 457 NE ARG A 29 -0.084 -8.474 8.674 1.00 0.00 N ATOM 458 CZ ARG A 29 -0.064 -8.162 9.975 1.00 0.00 C ATOM 459 NH1 ARG A 29 0.202 -6.919 10.368 1.00 0.00 N ATOM 460 NH2 ARG A 29 -0.297 -9.097 10.888 1.00 0.00 N ATOM 0 H ARG A 29 -0.878 -4.338 6.567 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.411 -6.275 4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.787 -6.552 6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.568 -7.731 5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.800 -5.560 7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.842 -6.846 8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.298 -8.025 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.995 -6.898 7.810 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.245 -9.448 8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.393 -6.195 9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.215 -6.690 11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.492 -10.055 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.281 -8.857 11.879 1.00 0.00 H new ATOM 474 N ILE A 30 -2.824 -6.041 3.325 1.00 0.00 N ATOM 475 CA ILE A 30 -3.913 -5.628 2.452 1.00 0.00 C ATOM 476 C ILE A 30 -5.239 -5.612 3.210 1.00 0.00 C ATOM 477 O ILE A 30 -5.724 -6.659 3.648 1.00 0.00 O ATOM 478 CB ILE A 30 -4.038 -6.552 1.223 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.661 -6.807 0.611 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.975 -5.941 0.190 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.379 -8.268 0.347 1.00 0.00 C ATOM 0 H ILE A 30 -2.553 -7.020 3.232 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.681 -4.621 2.106 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.457 -7.505 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.581 -6.255 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.896 -6.413 1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.052 -6.606 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.962 -5.803 0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.583 -4.976 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.385 -8.374 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.427 -8.823 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.122 -8.662 -0.347 1.00 0.00 H new ATOM 493 N PRO A 31 -5.824 -4.415 3.390 1.00 0.00 N ATOM 494 CA PRO A 31 -7.125 -4.247 4.045 1.00 0.00 C ATOM 495 C PRO A 31 -8.214 -5.081 3.380 1.00 0.00 C ATOM 496 O PRO A 31 -8.229 -5.230 2.161 1.00 0.00 O ATOM 497 CB PRO A 31 -7.430 -2.755 3.871 1.00 0.00 C ATOM 498 CG PRO A 31 -6.110 -2.104 3.658 1.00 0.00 C ATOM 499 CD PRO A 31 -5.248 -3.127 2.971 1.00 0.00 C ATOM 0 HA PRO A 31 -7.098 -4.572 5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.093 -2.586 3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.930 -2.351 4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.212 -1.207 3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.669 -1.796 4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.276 -3.010 1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.205 -3.039 3.274 1.00 0.00 H new ATOM 507 N LYS A 32 -9.118 -5.623 4.179 1.00 0.00 N ATOM 508 CA LYS A 32 -10.223 -6.412 3.649 1.00 0.00 C ATOM 509 C LYS A 32 -11.546 -5.847 4.146 1.00 0.00 C ATOM 510 O LYS A 32 -12.597 -6.480 4.036 1.00 0.00 O ATOM 511 CB LYS A 32 -10.079 -7.886 4.046 1.00 0.00 C ATOM 512 CG LYS A 32 -9.701 -8.101 5.504 1.00 0.00 C ATOM 513 CD LYS A 32 -8.289 -8.651 5.642 1.00 0.00 C ATOM 514 CE LYS A 32 -8.243 -10.157 5.434 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.748 -10.907 6.615 1.00 0.00 N ATOM 0 H LYS A 32 -9.111 -5.533 5.195 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.203 -6.356 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.020 -8.399 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.322 -8.350 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.779 -7.157 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.407 -8.791 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.638 -8.164 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.901 -8.409 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.838 -10.419 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.217 -10.461 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.650 -11.928 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.198 -10.641 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.750 -10.677 6.770 1.00 0.00 H new ATOM 529 N ARG A 33 -11.472 -4.643 4.688 1.00 0.00 N ATOM 530 CA ARG A 33 -12.642 -3.957 5.207 1.00 0.00 C ATOM 531 C ARG A 33 -12.582 -2.475 4.855 1.00 0.00 C ATOM 532 O ARG A 33 -11.729 -1.746 5.366 1.00 0.00 O ATOM 533 CB ARG A 33 -12.736 -4.135 6.728 1.00 0.00 C ATOM 534 CG ARG A 33 -13.742 -3.205 7.396 1.00 0.00 C ATOM 535 CD ARG A 33 -14.602 -3.944 8.407 1.00 0.00 C ATOM 536 NE ARG A 33 -15.686 -4.684 7.764 1.00 0.00 N ATOM 537 CZ ARG A 33 -15.787 -6.012 7.763 1.00 0.00 C ATOM 538 NH1 ARG A 33 -14.897 -6.755 8.416 1.00 0.00 N ATOM 539 NH2 ARG A 33 -16.789 -6.594 7.114 1.00 0.00 N ATOM 0 H ARG A 33 -10.603 -4.116 4.780 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.531 -4.392 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.009 -5.167 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.752 -3.965 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.212 -2.392 7.893 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.380 -2.753 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.980 -4.634 8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.021 -3.231 9.117 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.411 -4.149 7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.132 -6.308 8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.980 -7.772 8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.476 -6.024 6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.872 -7.611 7.110 1.00 0.00 H new ATOM 553 N PRO A 34 -13.459 -2.018 3.950 1.00 0.00 N ATOM 554 CA PRO A 34 -14.382 -2.891 3.225 1.00 0.00 C ATOM 555 C PRO A 34 -13.736 -3.509 1.982 1.00 0.00 C ATOM 556 O PRO A 34 -12.574 -3.231 1.672 1.00 0.00 O ATOM 557 CB PRO A 34 -15.499 -1.935 2.826 1.00 0.00 C ATOM 558 CG PRO A 34 -14.820 -0.619 2.641 1.00 0.00 C ATOM 559 CD PRO A 34 -13.641 -0.603 3.584 1.00 0.00 C ATOM 0 HA PRO A 34 -14.713 -3.740 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.990 -2.260 1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.268 -1.880 3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.492 -0.494 1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.502 0.203 2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.751 -0.197 3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.839 0.014 4.461 1.00 0.00 H new ATOM 567 N LEU A 35 -14.496 -4.328 1.263 1.00 0.00 N ATOM 568 CA LEU A 35 -13.981 -5.002 0.076 1.00 0.00 C ATOM 569 C LEU A 35 -13.699 -3.995 -1.032 1.00 0.00 C ATOM 570 O LEU A 35 -12.790 -4.180 -1.837 1.00 0.00 O ATOM 571 CB LEU A 35 -14.972 -6.058 -0.419 1.00 0.00 C ATOM 572 CG LEU A 35 -14.341 -7.311 -1.028 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.863 -8.559 -0.336 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.620 -7.376 -2.524 1.00 0.00 C ATOM 0 H LEU A 35 -15.469 -4.541 1.481 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.049 -5.497 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.604 -6.359 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.623 -5.601 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.262 -7.260 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.404 -9.441 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.615 -8.518 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.945 -8.615 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.164 -8.274 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.697 -7.405 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.200 -6.496 -3.011 1.00 0.00 H new ATOM 586 N ILE A 36 -14.481 -2.921 -1.059 1.00 0.00 N ATOM 587 CA ILE A 36 -14.316 -1.874 -2.063 1.00 0.00 C ATOM 588 C ILE A 36 -12.962 -1.187 -1.909 1.00 0.00 C ATOM 589 O ILE A 36 -12.308 -0.849 -2.894 1.00 0.00 O ATOM 590 CB ILE A 36 -15.446 -0.826 -1.976 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.812 -1.518 -2.055 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.310 0.216 -3.081 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.959 -2.457 -3.237 1.00 0.00 C ATOM 0 H ILE A 36 -15.237 -2.752 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.365 -2.351 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.366 -0.312 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.978 -2.079 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.591 -0.757 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.118 0.943 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.352 0.726 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.363 -0.275 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.952 -2.907 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.827 -1.899 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.204 -3.241 -3.175 1.00 0.00 H new ATOM 605 N LEU A 37 -12.540 -1.003 -0.664 1.00 0.00 N ATOM 606 CA LEU A 37 -11.236 -0.418 -0.382 1.00 0.00 C ATOM 607 C LEU A 37 -10.133 -1.368 -0.824 1.00 0.00 C ATOM 608 O LEU A 37 -9.134 -0.948 -1.404 1.00 0.00 O ATOM 609 CB LEU A 37 -11.104 -0.096 1.108 1.00 0.00 C ATOM 610 CG LEU A 37 -9.668 0.016 1.624 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.082 1.380 1.300 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.623 -0.239 3.121 1.00 0.00 C ATOM 0 H LEU A 37 -13.081 -1.250 0.165 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.140 0.513 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.619 0.843 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.619 -0.869 1.678 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.065 -0.741 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.061 1.436 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.079 1.528 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.685 2.156 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.595 -0.156 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.243 0.496 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.999 -1.240 3.331 1.00 0.00 H new ATOM 624 N ARG A 38 -10.334 -2.651 -0.559 1.00 0.00 N ATOM 625 CA ARG A 38 -9.388 -3.679 -0.966 1.00 0.00 C ATOM 626 C ARG A 38 -9.291 -3.734 -2.491 1.00 0.00 C ATOM 627 O ARG A 38 -8.206 -3.873 -3.055 1.00 0.00 O ATOM 628 CB ARG A 38 -9.829 -5.030 -0.403 1.00 0.00 C ATOM 629 CG ARG A 38 -8.965 -6.196 -0.832 1.00 0.00 C ATOM 630 CD ARG A 38 -9.251 -7.417 0.022 1.00 0.00 C ATOM 631 NE ARG A 38 -8.977 -8.667 -0.678 1.00 0.00 N ATOM 632 CZ ARG A 38 -8.201 -9.636 -0.200 1.00 0.00 C ATOM 633 NH1 ARG A 38 -7.574 -9.477 0.961 1.00 0.00 N ATOM 634 NH2 ARG A 38 -8.052 -10.755 -0.894 1.00 0.00 N ATOM 0 H ARG A 38 -11.150 -3.006 -0.060 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.401 -3.438 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.829 -4.974 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.857 -5.221 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.152 -6.427 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.912 -5.926 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.647 -7.372 0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.295 -7.401 0.334 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.408 -8.807 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.687 -8.611 1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.979 -10.221 1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.531 -10.868 -1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.459 -11.503 -0.535 1.00 0.00 H new ATOM 648 N GLN A 39 -10.439 -3.603 -3.145 1.00 0.00 N ATOM 649 CA GLN A 39 -10.509 -3.584 -4.602 1.00 0.00 C ATOM 650 C GLN A 39 -9.744 -2.391 -5.163 1.00 0.00 C ATOM 651 O GLN A 39 -9.059 -2.496 -6.183 1.00 0.00 O ATOM 652 CB GLN A 39 -11.967 -3.520 -5.052 1.00 0.00 C ATOM 653 CG GLN A 39 -12.173 -3.842 -6.521 1.00 0.00 C ATOM 654 CD GLN A 39 -13.092 -5.026 -6.723 1.00 0.00 C ATOM 655 OE1 GLN A 39 -12.678 -6.067 -7.232 1.00 0.00 O ATOM 656 NE2 GLN A 39 -14.348 -4.870 -6.335 1.00 0.00 N ATOM 0 H GLN A 39 -11.344 -3.507 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.053 -4.499 -4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.553 -4.216 -4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.355 -2.521 -4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.589 -2.971 -7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.209 -4.050 -6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.647 -3.989 -5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.017 -5.631 -6.454 1.00 0.00 H new ATOM 665 N ARG A 40 -9.856 -1.256 -4.484 1.00 0.00 N ATOM 666 CA ARG A 40 -9.178 -0.042 -4.910 1.00 0.00 C ATOM 667 C ARG A 40 -7.682 -0.140 -4.640 1.00 0.00 C ATOM 668 O ARG A 40 -6.878 0.504 -5.311 1.00 0.00 O ATOM 669 CB ARG A 40 -9.763 1.175 -4.195 1.00 0.00 C ATOM 670 CG ARG A 40 -11.162 1.535 -4.660 1.00 0.00 C ATOM 671 CD ARG A 40 -11.287 3.022 -4.953 1.00 0.00 C ATOM 672 NE ARG A 40 -11.823 3.275 -6.291 1.00 0.00 N ATOM 673 CZ ARG A 40 -13.121 3.284 -6.587 1.00 0.00 C ATOM 674 NH1 ARG A 40 -14.028 3.067 -5.643 1.00 0.00 N ATOM 675 NH2 ARG A 40 -13.513 3.515 -7.832 1.00 0.00 N ATOM 0 H ARG A 40 -10.411 -1.153 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.330 0.075 -5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.784 0.981 -3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.105 2.030 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.407 0.965 -5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.885 1.252 -3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.936 3.485 -4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.309 3.493 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.160 3.456 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.733 2.892 -4.683 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.021 3.076 -5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.821 3.685 -8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.507 3.522 -8.061 1.00 0.00 H new ATOM 689 N TRP A 41 -7.315 -0.962 -3.664 1.00 0.00 N ATOM 690 CA TRP A 41 -5.919 -1.150 -3.301 1.00 0.00 C ATOM 691 C TRP A 41 -5.139 -1.751 -4.462 1.00 0.00 C ATOM 692 O TRP A 41 -4.018 -1.336 -4.752 1.00 0.00 O ATOM 693 CB TRP A 41 -5.814 -2.048 -2.070 1.00 0.00 C ATOM 694 CG TRP A 41 -5.424 -1.299 -0.847 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.131 -0.307 -0.239 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.228 -1.473 -0.087 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.443 0.154 0.851 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.271 -0.548 0.968 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.124 -2.320 -0.200 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.250 -0.448 1.904 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.111 -2.217 0.732 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.181 -1.286 1.772 1.00 0.00 C ATOM 0 H TRP A 41 -7.971 -1.511 -3.108 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.487 -0.177 -3.066 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.772 -2.539 -1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.082 -2.833 -2.259 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.092 0.061 -0.568 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.752 0.899 1.475 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.064 -3.042 -1.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.300 0.269 2.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.251 -2.866 0.656 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.373 -1.229 2.486 1.00 0.00 H new ATOM 713 N LEU A 42 -5.757 -2.710 -5.146 1.00 0.00 N ATOM 714 CA LEU A 42 -5.130 -3.364 -6.288 1.00 0.00 C ATOM 715 C LEU A 42 -4.944 -2.382 -7.443 1.00 0.00 C ATOM 716 O LEU A 42 -4.078 -2.571 -8.295 1.00 0.00 O ATOM 717 CB LEU A 42 -5.957 -4.565 -6.759 1.00 0.00 C ATOM 718 CG LEU A 42 -6.855 -5.211 -5.700 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.854 -6.140 -6.362 1.00 0.00 C ATOM 720 CD2 LEU A 42 -6.025 -5.969 -4.672 1.00 0.00 C ATOM 0 H LEU A 42 -6.693 -3.051 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.152 -3.719 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.582 -4.247 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.275 -5.324 -7.142 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.397 -4.421 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.488 -6.595 -5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.472 -5.573 -7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.321 -6.921 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.686 -6.419 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.454 -6.752 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.341 -5.280 -4.177 1.00 0.00 H new ATOM 732 N THR A 43 -5.754 -1.327 -7.453 1.00 0.00 N ATOM 733 CA THR A 43 -5.677 -0.300 -8.486 1.00 0.00 C ATOM 734 C THR A 43 -4.319 0.405 -8.455 1.00 0.00 C ATOM 735 O THR A 43 -3.718 0.667 -9.496 1.00 0.00 O ATOM 736 CB THR A 43 -6.808 0.739 -8.305 1.00 0.00 C ATOM 737 OG1 THR A 43 -8.084 0.100 -8.458 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.684 1.886 -9.303 1.00 0.00 C ATOM 0 H THR A 43 -6.476 -1.161 -6.752 1.00 0.00 H new ATOM 0 HA THR A 43 -5.795 -0.790 -9.453 1.00 0.00 H new ATOM 0 HB THR A 43 -6.721 1.156 -7.302 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.797 0.762 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.496 2.595 -9.145 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.728 2.391 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.739 1.493 -10.318 1.00 0.00 H new ATOM 746 N ALA A 44 -3.833 0.678 -7.251 1.00 0.00 N ATOM 747 CA ALA A 44 -2.575 1.393 -7.069 1.00 0.00 C ATOM 748 C ALA A 44 -1.394 0.574 -7.564 1.00 0.00 C ATOM 749 O ALA A 44 -0.488 1.094 -8.214 1.00 0.00 O ATOM 750 CB ALA A 44 -2.386 1.735 -5.607 1.00 0.00 C ATOM 0 H ALA A 44 -4.294 0.413 -6.380 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.620 2.309 -7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.445 2.269 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.210 2.365 -5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.367 0.818 -5.018 1.00 0.00 H new ATOM 756 N ILE A 45 -1.419 -0.712 -7.258 1.00 0.00 N ATOM 757 CA ILE A 45 -0.339 -1.613 -7.634 1.00 0.00 C ATOM 758 C ILE A 45 -0.494 -2.071 -9.077 1.00 0.00 C ATOM 759 O ILE A 45 0.432 -2.633 -9.666 1.00 0.00 O ATOM 760 CB ILE A 45 -0.297 -2.852 -6.712 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.458 -2.811 -5.713 1.00 0.00 C ATOM 762 CG2 ILE A 45 1.035 -2.923 -5.986 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.381 -3.855 -4.619 1.00 0.00 C ATOM 0 H ILE A 45 -2.180 -1.159 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 45 0.594 -1.060 -7.528 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.403 -3.748 -7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.491 -1.823 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.394 -2.941 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.051 -3.801 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.843 -2.994 -6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.169 -2.025 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.242 -3.753 -3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.381 -4.850 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.465 -3.714 -4.046 1.00 0.00 H new ATOM 775 N GLY A 46 -1.671 -1.822 -9.641 1.00 0.00 N ATOM 776 CA GLY A 46 -1.961 -2.255 -10.991 1.00 0.00 C ATOM 777 C GLY A 46 -2.109 -3.760 -11.073 1.00 0.00 C ATOM 778 O GLY A 46 -1.679 -4.384 -12.042 1.00 0.00 O ATOM 0 H GLY A 46 -2.433 -1.324 -9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.878 -1.779 -11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.162 -1.930 -11.658 1.00 0.00 H new ATOM 782 N ARG A 47 -2.702 -4.344 -10.038 1.00 0.00 N ATOM 783 CA ARG A 47 -2.852 -5.792 -9.961 1.00 0.00 C ATOM 784 C ARG A 47 -4.299 -6.178 -9.665 1.00 0.00 C ATOM 785 O ARG A 47 -5.212 -5.367 -9.815 1.00 0.00 O ATOM 786 CB ARG A 47 -1.936 -6.364 -8.876 1.00 0.00 C ATOM 787 CG ARG A 47 -0.514 -5.827 -8.915 1.00 0.00 C ATOM 788 CD ARG A 47 0.492 -6.874 -8.468 1.00 0.00 C ATOM 789 NE ARG A 47 1.813 -6.294 -8.220 1.00 0.00 N ATOM 790 CZ ARG A 47 2.744 -6.125 -9.162 1.00 0.00 C ATOM 791 NH1 ARG A 47 2.517 -6.504 -10.415 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.911 -5.577 -8.850 1.00 0.00 N ATOM 0 H ARG A 47 -3.087 -3.837 -9.241 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.571 -6.209 -10.928 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.368 -6.146 -7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.906 -7.449 -8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.275 -5.501 -9.927 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.438 -4.950 -8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.132 -7.358 -7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.573 -7.648 -9.231 1.00 0.00 H new ATOM 0 HE ARG A 47 2.036 -6.001 -7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.624 -6.929 -10.665 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.236 -6.370 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.097 -5.285 -7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.622 -5.448 -9.569 1.00 0.00 H new ATOM 806 N THR A 48 -4.496 -7.422 -9.251 1.00 0.00 N ATOM 807 CA THR A 48 -5.816 -7.919 -8.901 1.00 0.00 C ATOM 808 C THR A 48 -5.721 -8.879 -7.717 1.00 0.00 C ATOM 809 O THR A 48 -4.648 -9.068 -7.153 1.00 0.00 O ATOM 810 CB THR A 48 -6.471 -8.641 -10.089 1.00 0.00 C ATOM 811 OG1 THR A 48 -5.520 -8.798 -11.151 1.00 0.00 O ATOM 812 CG2 THR A 48 -7.682 -7.865 -10.587 1.00 0.00 C ATOM 0 H THR A 48 -3.750 -8.110 -9.149 1.00 0.00 H new ATOM 0 HA THR A 48 -6.433 -7.062 -8.631 1.00 0.00 H new ATOM 0 HB THR A 48 -6.803 -9.624 -9.756 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.944 -9.260 -11.904 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.131 -8.393 -11.428 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.412 -7.775 -9.783 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.371 -6.871 -10.907 1.00 0.00 H new ATOM 820 N GLU A 49 -6.836 -9.501 -7.360 1.00 0.00 N ATOM 821 CA GLU A 49 -6.875 -10.443 -6.240 1.00 0.00 C ATOM 822 C GLU A 49 -6.161 -11.737 -6.601 1.00 0.00 C ATOM 823 O GLU A 49 -5.804 -12.528 -5.733 1.00 0.00 O ATOM 824 CB GLU A 49 -8.320 -10.743 -5.856 1.00 0.00 C ATOM 825 CG GLU A 49 -8.930 -9.712 -4.925 1.00 0.00 C ATOM 826 CD GLU A 49 -9.939 -10.320 -3.976 1.00 0.00 C ATOM 827 OE1 GLU A 49 -10.650 -11.265 -4.382 1.00 0.00 O ATOM 828 OE2 GLU A 49 -10.019 -9.868 -2.819 1.00 0.00 O ATOM 0 H GLU A 49 -7.732 -9.372 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.365 -9.987 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.923 -10.803 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.364 -11.722 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.138 -9.231 -4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.413 -8.934 -5.515 1.00 0.00 H new ATOM 835 N GLU A 50 -5.950 -11.937 -7.893 1.00 0.00 N ATOM 836 CA GLU A 50 -5.260 -13.120 -8.382 1.00 0.00 C ATOM 837 C GLU A 50 -3.751 -12.905 -8.337 1.00 0.00 C ATOM 838 O GLU A 50 -2.975 -13.793 -8.682 1.00 0.00 O ATOM 839 CB GLU A 50 -5.712 -13.450 -9.808 1.00 0.00 C ATOM 840 CG GLU A 50 -7.136 -13.003 -10.101 1.00 0.00 C ATOM 841 CD GLU A 50 -8.031 -14.126 -10.580 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.152 -15.146 -9.868 1.00 0.00 O ATOM 843 OE2 GLU A 50 -8.646 -13.983 -11.658 1.00 0.00 O ATOM 0 H GLU A 50 -6.248 -11.292 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.511 -13.963 -7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.035 -12.973 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.635 -14.526 -9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.565 -12.566 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.114 -12.218 -10.857 1.00 0.00 H new ATOM 850 N THR A 51 -3.345 -11.715 -7.911 1.00 0.00 N ATOM 851 CA THR A 51 -1.935 -11.364 -7.849 1.00 0.00 C ATOM 852 C THR A 51 -1.567 -10.779 -6.481 1.00 0.00 C ATOM 853 O THR A 51 -0.503 -11.069 -5.933 1.00 0.00 O ATOM 854 CB THR A 51 -1.589 -10.349 -8.955 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.757 -9.587 -9.299 1.00 0.00 O ATOM 856 CG2 THR A 51 -1.080 -11.057 -10.196 1.00 0.00 C ATOM 0 H THR A 51 -3.976 -10.976 -7.603 1.00 0.00 H new ATOM 0 HA THR A 51 -1.359 -12.277 -8.000 1.00 0.00 H new ATOM 0 HB THR A 51 -0.809 -9.688 -8.578 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.599 -9.107 -10.139 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.842 -10.320 -10.963 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.184 -11.626 -9.949 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.848 -11.734 -10.569 1.00 0.00 H new ATOM 864 N VAL A 52 -2.462 -9.966 -5.933 1.00 0.00 N ATOM 865 CA VAL A 52 -2.271 -9.372 -4.615 1.00 0.00 C ATOM 866 C VAL A 52 -2.749 -10.339 -3.542 1.00 0.00 C ATOM 867 O VAL A 52 -3.897 -10.284 -3.100 1.00 0.00 O ATOM 868 CB VAL A 52 -3.037 -8.035 -4.491 1.00 0.00 C ATOM 869 CG1 VAL A 52 -2.826 -7.392 -3.128 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.617 -7.077 -5.590 1.00 0.00 C ATOM 0 H VAL A 52 -3.336 -9.701 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.208 -9.171 -4.481 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.099 -8.255 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.380 -6.454 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.182 -8.066 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.764 -7.195 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.167 -6.141 -5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.548 -6.880 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.835 -7.520 -6.562 1.00 0.00 H new ATOM 880 N VAL A 53 -1.870 -11.241 -3.141 1.00 0.00 N ATOM 881 CA VAL A 53 -2.247 -12.290 -2.211 1.00 0.00 C ATOM 882 C VAL A 53 -1.288 -12.380 -1.019 1.00 0.00 C ATOM 883 O VAL A 53 -0.964 -11.367 -0.394 1.00 0.00 O ATOM 884 CB VAL A 53 -2.340 -13.658 -2.929 1.00 0.00 C ATOM 885 CG1 VAL A 53 -3.664 -13.772 -3.678 1.00 0.00 C ATOM 886 CG2 VAL A 53 -1.165 -13.859 -3.881 1.00 0.00 C ATOM 0 H VAL A 53 -0.896 -11.268 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.231 -12.028 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.296 -14.443 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.717 -14.739 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.490 -13.683 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.733 -12.976 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.256 -14.828 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.167 -13.070 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.231 -13.823 -3.319 1.00 0.00 H new ATOM 896 N SER A 54 -0.835 -13.594 -0.728 1.00 0.00 N ATOM 897 CA SER A 54 -0.077 -13.898 0.480 1.00 0.00 C ATOM 898 C SER A 54 1.206 -13.075 0.630 1.00 0.00 C ATOM 899 O SER A 54 1.438 -12.475 1.682 1.00 0.00 O ATOM 900 CB SER A 54 0.255 -15.389 0.477 1.00 0.00 C ATOM 901 OG SER A 54 -0.661 -16.092 -0.351 1.00 0.00 O ATOM 0 H SER A 54 -0.985 -14.403 -1.330 1.00 0.00 H new ATOM 0 HA SER A 54 -0.700 -13.630 1.333 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.273 -15.542 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.213 -15.781 1.493 1.00 0.00 H new ATOM 0 HG SER A 54 -0.439 -17.046 -0.348 1.00 0.00 H new ATOM 907 N GLN A 55 2.029 -13.041 -0.411 1.00 0.00 N ATOM 908 CA GLN A 55 3.364 -12.454 -0.305 1.00 0.00 C ATOM 909 C GLN A 55 3.401 -10.994 -0.740 1.00 0.00 C ATOM 910 O GLN A 55 4.475 -10.421 -0.905 1.00 0.00 O ATOM 911 CB GLN A 55 4.362 -13.262 -1.131 1.00 0.00 C ATOM 912 CG GLN A 55 5.408 -13.970 -0.286 1.00 0.00 C ATOM 913 CD GLN A 55 6.782 -13.334 -0.392 1.00 0.00 C ATOM 914 OE1 GLN A 55 6.988 -12.383 -1.149 1.00 0.00 O ATOM 915 NE2 GLN A 55 7.733 -13.856 0.365 1.00 0.00 N ATOM 0 H GLN A 55 1.800 -13.410 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 55 3.640 -12.486 0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.820 -14.001 -1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.863 -12.597 -1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.090 -13.964 0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.471 -15.014 -0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.522 -14.643 0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.677 -13.471 0.335 1.00 0.00 H new ATOM 924 N LEU A 56 2.243 -10.384 -0.921 1.00 0.00 N ATOM 925 CA LEU A 56 2.205 -8.993 -1.335 1.00 0.00 C ATOM 926 C LEU A 56 2.009 -8.078 -0.134 1.00 0.00 C ATOM 927 O LEU A 56 0.971 -8.113 0.528 1.00 0.00 O ATOM 928 CB LEU A 56 1.106 -8.757 -2.368 1.00 0.00 C ATOM 929 CG LEU A 56 1.512 -7.845 -3.529 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.309 -8.548 -4.861 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.731 -6.541 -3.484 1.00 0.00 C ATOM 0 H LEU A 56 1.331 -10.821 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 56 3.163 -8.757 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.791 -9.719 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.241 -8.323 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 56 2.572 -7.612 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.604 -7.882 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.919 -9.451 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.259 -8.816 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.034 -5.907 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.336 -6.753 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.934 -6.027 -2.544 1.00 0.00 H new ATOM 943 N ARG A 57 3.021 -7.281 0.158 1.00 0.00 N ATOM 944 CA ARG A 57 2.950 -6.322 1.243 1.00 0.00 C ATOM 945 C ARG A 57 3.241 -4.932 0.703 1.00 0.00 C ATOM 946 O ARG A 57 3.912 -4.793 -0.319 1.00 0.00 O ATOM 947 CB ARG A 57 3.940 -6.688 2.351 1.00 0.00 C ATOM 948 CG ARG A 57 3.519 -7.903 3.165 1.00 0.00 C ATOM 949 CD ARG A 57 2.187 -7.675 3.858 1.00 0.00 C ATOM 950 NE ARG A 57 1.699 -8.878 4.531 1.00 0.00 N ATOM 951 CZ ARG A 57 0.784 -9.706 4.024 1.00 0.00 C ATOM 952 NH1 ARG A 57 0.311 -9.526 2.794 1.00 0.00 N ATOM 953 NH2 ARG A 57 0.355 -10.736 4.740 1.00 0.00 N ATOM 0 H ARG A 57 3.908 -7.280 -0.346 1.00 0.00 H new ATOM 0 HA ARG A 57 1.948 -6.338 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.916 -6.879 1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.056 -5.835 3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.446 -8.772 2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.284 -8.127 3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.292 -6.871 4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.450 -7.347 3.125 1.00 0.00 H new ATOM 0 HE ARG A 57 2.084 -9.099 5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.648 -8.748 2.227 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.388 -10.166 2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.724 -10.895 5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.345 -11.370 4.353 1.00 0.00 H new ATOM 967 N ILE A 58 2.721 -3.911 1.366 1.00 0.00 N ATOM 968 CA ILE A 58 2.876 -2.544 0.892 1.00 0.00 C ATOM 969 C ILE A 58 3.457 -1.655 1.986 1.00 0.00 C ATOM 970 O ILE A 58 2.997 -1.679 3.128 1.00 0.00 O ATOM 971 CB ILE A 58 1.528 -1.954 0.412 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.900 -2.850 -0.665 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.708 -0.535 -0.114 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.724 -2.963 -1.933 1.00 0.00 C ATOM 0 H ILE A 58 2.189 -4.002 2.232 1.00 0.00 H new ATOM 0 HA ILE A 58 3.564 -2.573 0.047 1.00 0.00 H new ATOM 0 HB ILE A 58 0.854 -1.915 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.751 -3.847 -0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.086 -2.459 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.745 -0.145 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.104 0.099 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.404 -0.544 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.212 -3.613 -2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.852 -1.974 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.701 -3.384 -1.696 1.00 0.00 H new ATOM 986 N CYS A 59 4.472 -0.886 1.624 1.00 0.00 N ATOM 987 CA CYS A 59 5.132 0.026 2.547 1.00 0.00 C ATOM 988 C CYS A 59 4.219 1.193 2.923 1.00 0.00 C ATOM 989 O CYS A 59 3.315 1.560 2.166 1.00 0.00 O ATOM 990 CB CYS A 59 6.415 0.545 1.905 1.00 0.00 C ATOM 991 SG CYS A 59 7.345 -0.738 1.008 1.00 0.00 S ATOM 0 H CYS A 59 4.862 -0.876 0.682 1.00 0.00 H new ATOM 0 HA CYS A 59 5.370 -0.514 3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.167 1.352 1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.053 0.972 2.679 1.00 0.00 H new ATOM 996 N SER A 60 4.471 1.788 4.082 1.00 0.00 N ATOM 997 CA SER A 60 3.656 2.897 4.557 1.00 0.00 C ATOM 998 C SER A 60 4.083 4.203 3.894 1.00 0.00 C ATOM 999 O SER A 60 3.376 5.207 3.965 1.00 0.00 O ATOM 1000 CB SER A 60 3.741 3.021 6.082 1.00 0.00 C ATOM 1001 OG SER A 60 5.015 2.634 6.559 1.00 0.00 O ATOM 0 H SER A 60 5.231 1.522 4.708 1.00 0.00 H new ATOM 0 HA SER A 60 2.620 2.694 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.537 4.050 6.377 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.973 2.399 6.543 1.00 0.00 H new ATOM 0 HG SER A 60 5.050 1.658 6.645 1.00 0.00 H new ATOM 1007 N ALA A 61 5.241 4.180 3.238 1.00 0.00 N ATOM 1008 CA ALA A 61 5.729 5.342 2.506 1.00 0.00 C ATOM 1009 C ALA A 61 4.900 5.575 1.252 1.00 0.00 C ATOM 1010 O ALA A 61 4.989 6.626 0.617 1.00 0.00 O ATOM 1011 CB ALA A 61 7.191 5.164 2.140 1.00 0.00 C ATOM 0 H ALA A 61 5.858 3.368 3.200 1.00 0.00 H new ATOM 0 HA ALA A 61 5.633 6.215 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.539 6.041 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.782 5.044 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.304 4.279 1.514 1.00 0.00 H new ATOM 1017 N HIS A 62 4.083 4.592 0.907 1.00 0.00 N ATOM 1018 CA HIS A 62 3.225 4.685 -0.264 1.00 0.00 C ATOM 1019 C HIS A 62 1.941 5.450 0.065 1.00 0.00 C ATOM 1020 O HIS A 62 1.000 5.467 -0.723 1.00 0.00 O ATOM 1021 CB HIS A 62 2.894 3.282 -0.793 1.00 0.00 C ATOM 1022 CG HIS A 62 4.087 2.524 -1.299 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.760 2.826 -2.471 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.734 1.457 -0.758 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.773 1.946 -2.600 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.790 1.109 -1.588 1.00 0.00 N ATOM 0 H HIS A 62 3.996 3.717 1.424 1.00 0.00 H new ATOM 0 HA HIS A 62 3.759 5.234 -1.040 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.422 2.707 0.003 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.165 3.371 -1.598 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.531 3.579 -3.120 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.470 0.962 0.165 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.474 1.931 -3.422 1.00 0.00 H new ATOM 1034 N PHE A 63 1.906 6.069 1.243 1.00 0.00 N ATOM 1035 CA PHE A 63 0.768 6.881 1.662 1.00 0.00 C ATOM 1036 C PHE A 63 1.253 8.267 2.061 1.00 0.00 C ATOM 1037 O PHE A 63 2.414 8.433 2.446 1.00 0.00 O ATOM 1038 CB PHE A 63 0.040 6.243 2.861 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.543 4.882 2.593 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.288 3.801 2.342 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.921 4.682 2.585 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.230 2.553 2.088 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.441 3.431 2.325 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.594 2.368 2.077 1.00 0.00 C ATOM 0 H PHE A 63 2.660 6.022 1.929 1.00 0.00 H new ATOM 0 HA PHE A 63 0.073 6.947 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.739 6.166 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.761 6.910 3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.359 3.941 2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.586 5.510 2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.431 1.720 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.511 3.282 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.003 1.389 1.874 1.00 0.00 H new ATOM 1054 N GLU A 64 0.378 9.259 1.956 1.00 0.00 N ATOM 1055 CA GLU A 64 0.676 10.590 2.464 1.00 0.00 C ATOM 1056 C GLU A 64 0.842 10.521 3.976 1.00 0.00 C ATOM 1057 O GLU A 64 -0.119 10.250 4.701 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.444 11.568 2.100 1.00 0.00 C ATOM 1059 CG GLU A 64 -0.246 12.250 0.756 1.00 0.00 C ATOM 1060 CD GLU A 64 0.486 13.573 0.870 1.00 0.00 C ATOM 1061 OE1 GLU A 64 1.717 13.563 1.089 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -0.165 14.628 0.730 1.00 0.00 O ATOM 0 H GLU A 64 -0.542 9.167 1.524 1.00 0.00 H new ATOM 0 HA GLU A 64 1.600 10.948 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.393 11.032 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.516 12.329 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.313 11.587 0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.218 12.417 0.292 1.00 0.00 H new ATOM 1069 N GLY A 65 2.061 10.736 4.445 1.00 0.00 N ATOM 1070 CA GLY A 65 2.362 10.546 5.850 1.00 0.00 C ATOM 1071 C GLY A 65 2.586 9.081 6.177 1.00 0.00 C ATOM 1072 O GLY A 65 3.612 8.709 6.752 1.00 0.00 O ATOM 0 H GLY A 65 2.851 11.040 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.251 11.119 6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.542 10.934 6.455 1.00 0.00 H new ATOM 1076 N GLY A 66 1.632 8.245 5.795 1.00 0.00 N ATOM 1077 CA GLY A 66 1.760 6.821 6.020 1.00 0.00 C ATOM 1078 C GLY A 66 0.723 6.291 6.987 1.00 0.00 C ATOM 1079 O GLY A 66 0.994 5.365 7.750 1.00 0.00 O ATOM 0 H GLY A 66 0.769 8.529 5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.667 6.296 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.756 6.606 6.407 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.472 6.862 6.943 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.538 6.482 7.863 1.00 0.00 C ATOM 1085 C GLU A 67 -2.556 5.578 7.177 1.00 0.00 C ATOM 1086 O GLU A 67 -3.150 5.953 6.169 1.00 0.00 O ATOM 1087 CB GLU A 67 -2.249 7.726 8.414 1.00 0.00 C ATOM 1088 CG GLU A 67 -1.488 9.026 8.198 1.00 0.00 C ATOM 1089 CD GLU A 67 -2.400 10.202 7.895 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -3.595 9.983 7.608 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -1.924 11.356 7.939 1.00 0.00 O ATOM 0 H GLU A 67 -0.730 7.592 6.279 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.081 5.936 8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.229 7.809 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.419 7.591 9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.900 9.249 9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.785 8.897 7.375 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.727 4.376 7.709 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.780 3.478 7.253 1.00 0.00 C ATOM 1100 C LYS A 68 -4.949 3.522 8.233 1.00 0.00 C ATOM 1101 O LYS A 68 -4.973 2.782 9.217 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.252 2.046 7.111 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.312 1.034 6.711 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.030 0.456 5.340 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.467 1.408 4.243 1.00 0.00 C ATOM 1106 NZ LYS A 68 -5.944 1.485 4.131 1.00 0.00 N ATOM 0 H LYS A 68 -2.148 3.999 8.459 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.123 3.807 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.455 2.035 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.809 1.738 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.347 0.231 7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.292 1.511 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.964 0.249 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.551 -0.495 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.066 2.402 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.048 1.082 3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.207 1.691 3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.362 0.577 4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.300 2.241 4.750 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.903 4.400 7.972 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.050 4.547 8.847 1.00 0.00 C ATOM 1122 C LYS A 69 -8.259 3.834 8.260 1.00 0.00 C ATOM 1123 O LYS A 69 -8.695 2.809 8.783 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.371 6.027 9.078 1.00 0.00 C ATOM 1125 CG LYS A 69 -7.948 6.315 10.457 1.00 0.00 C ATOM 1126 CD LYS A 69 -9.435 5.995 10.522 1.00 0.00 C ATOM 1127 CE LYS A 69 -9.752 5.042 11.665 1.00 0.00 C ATOM 1128 NZ LYS A 69 -9.856 3.628 11.208 1.00 0.00 N ATOM 0 H LYS A 69 -5.905 5.020 7.162 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.806 4.093 9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.462 6.613 8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.080 6.360 8.320 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.416 5.727 11.204 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.790 7.364 10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.001 6.918 10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.754 5.552 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.976 5.120 12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.690 5.340 12.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.473 2.997 11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.854 3.392 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.314 3.507 10.329 1.00 0.00 H new ATOM 1142 N GLU A 70 -8.787 4.386 7.176 1.00 0.00 N ATOM 1143 CA GLU A 70 -9.968 3.845 6.520 1.00 0.00 C ATOM 1144 C GLU A 70 -10.218 4.586 5.212 1.00 0.00 C ATOM 1145 O GLU A 70 -10.479 5.787 5.212 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.200 3.965 7.424 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.885 2.636 7.700 1.00 0.00 C ATOM 1148 CD GLU A 70 -12.020 2.347 9.181 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -12.161 3.305 9.970 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -11.977 1.162 9.567 1.00 0.00 O ATOM 0 H GLU A 70 -8.409 5.220 6.728 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.792 2.789 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.903 4.414 8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.916 4.644 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.874 2.639 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.318 1.834 7.227 1.00 0.00 H new ATOM 1157 N GLY A 71 -10.120 3.866 4.103 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.337 4.471 2.800 1.00 0.00 C ATOM 1159 C GLY A 71 -9.040 4.834 2.106 1.00 0.00 C ATOM 1160 O GLY A 71 -9.041 5.270 0.957 1.00 0.00 O ATOM 0 H GLY A 71 -9.894 2.872 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.901 3.781 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.947 5.367 2.916 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.933 4.643 2.806 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.610 4.959 2.272 1.00 0.00 C ATOM 1166 C ASP A 72 -6.137 3.881 1.305 1.00 0.00 C ATOM 1167 O ASP A 72 -6.028 2.704 1.670 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.580 5.095 3.407 1.00 0.00 C ATOM 1169 CG ASP A 72 -6.184 4.862 4.784 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.664 3.734 5.042 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -6.191 5.790 5.612 1.00 0.00 O ATOM 0 H ASP A 72 -7.921 4.267 3.754 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.695 5.907 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.772 4.382 3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.138 6.091 3.373 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.874 4.293 0.078 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.270 3.437 -0.933 1.00 0.00 C ATOM 1178 C ILE A 73 -3.816 3.868 -1.126 1.00 0.00 C ATOM 1179 O ILE A 73 -3.511 5.054 -1.019 1.00 0.00 O ATOM 1180 CB ILE A 73 -6.049 3.547 -2.269 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.514 3.184 -2.050 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.445 2.663 -3.352 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.471 4.243 -2.543 1.00 0.00 C ATOM 0 H ILE A 73 -6.074 5.238 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.307 2.397 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.978 4.580 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.729 2.245 -2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.685 3.016 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.020 2.770 -4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.413 2.963 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.469 1.623 -3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.496 3.922 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.282 5.178 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.327 4.394 -3.613 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.888 2.930 -1.371 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.484 3.276 -1.584 1.00 0.00 C ATOM 1197 C PRO A 74 -1.281 4.001 -2.912 1.00 0.00 C ATOM 1198 O PRO A 74 -2.163 3.998 -3.767 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.777 1.918 -1.601 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.825 0.947 -2.012 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.123 1.482 -1.475 1.00 0.00 C ATOM 0 HA PRO A 74 -1.103 3.952 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.059 1.917 -2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.372 1.671 -0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.863 0.850 -3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.616 -0.045 -1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.955 1.258 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.366 1.045 -0.506 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.136 4.640 -3.076 1.00 0.00 N ATOM 1210 CA VAL A 75 0.222 5.247 -4.349 1.00 0.00 C ATOM 1211 C VAL A 75 1.705 5.033 -4.626 1.00 0.00 C ATOM 1212 O VAL A 75 2.479 4.758 -3.705 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.107 6.761 -4.402 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.556 6.979 -4.810 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.185 7.433 -3.069 1.00 0.00 C ATOM 0 H VAL A 75 0.564 4.753 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.378 4.759 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 75 0.535 7.219 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.768 8.048 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.725 6.546 -5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.214 6.500 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.055 8.494 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.421 6.972 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.241 7.315 -2.825 1.00 0.00 H new ATOM 1225 N PRO A 76 2.124 5.132 -5.899 1.00 0.00 N ATOM 1226 CA PRO A 76 3.524 4.920 -6.282 1.00 0.00 C ATOM 1227 C PRO A 76 4.436 5.991 -5.701 1.00 0.00 C ATOM 1228 O PRO A 76 5.632 5.775 -5.501 1.00 0.00 O ATOM 1229 CB PRO A 76 3.501 5.010 -7.811 1.00 0.00 C ATOM 1230 CG PRO A 76 2.270 5.783 -8.135 1.00 0.00 C ATOM 1231 CD PRO A 76 1.274 5.455 -7.059 1.00 0.00 C ATOM 0 HA PRO A 76 3.911 3.971 -5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.392 5.510 -8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.475 4.019 -8.264 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.477 6.853 -8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.886 5.509 -9.118 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.613 6.297 -6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.640 4.614 -7.340 1.00 0.00 H new ATOM 1239 N ASP A 77 3.836 7.138 -5.432 1.00 0.00 N ATOM 1240 CA ASP A 77 4.526 8.297 -4.889 1.00 0.00 C ATOM 1241 C ASP A 77 3.500 9.378 -4.613 1.00 0.00 C ATOM 1242 O ASP A 77 2.968 9.973 -5.544 1.00 0.00 O ATOM 1243 CB ASP A 77 5.584 8.818 -5.867 1.00 0.00 C ATOM 1244 CG ASP A 77 6.563 9.753 -5.192 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.111 10.720 -4.556 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.788 9.526 -5.293 1.00 0.00 O ATOM 0 H ASP A 77 2.840 7.293 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 77 5.037 8.013 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.125 7.976 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.093 9.338 -6.690 1.00 0.00 H new ATOM 1251 N PRO A 78 3.190 9.633 -3.335 1.00 0.00 N ATOM 1252 CA PRO A 78 2.200 10.646 -2.950 1.00 0.00 C ATOM 1253 C PRO A 78 2.644 12.055 -3.337 1.00 0.00 C ATOM 1254 O PRO A 78 1.857 13.003 -3.311 1.00 0.00 O ATOM 1255 CB PRO A 78 2.111 10.506 -1.426 1.00 0.00 C ATOM 1256 CG PRO A 78 3.384 9.848 -1.021 1.00 0.00 C ATOM 1257 CD PRO A 78 3.775 8.959 -2.166 1.00 0.00 C ATOM 0 HA PRO A 78 1.245 10.497 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.000 11.479 -0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.248 9.907 -1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.159 10.588 -0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.250 9.270 -0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.858 8.869 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.381 7.950 -2.045 1.00 0.00 H new ATOM 1265 N THR A 79 3.913 12.179 -3.688 1.00 0.00 N ATOM 1266 CA THR A 79 4.483 13.435 -4.110 1.00 0.00 C ATOM 1267 C THR A 79 4.391 13.598 -5.629 1.00 0.00 C ATOM 1268 O THR A 79 4.357 14.717 -6.146 1.00 0.00 O ATOM 1269 CB THR A 79 5.953 13.504 -3.661 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.088 12.923 -2.352 1.00 0.00 O ATOM 1271 CG2 THR A 79 6.449 14.928 -3.637 1.00 0.00 C ATOM 0 H THR A 79 4.575 11.403 -3.686 1.00 0.00 H new ATOM 0 HA THR A 79 3.919 14.246 -3.650 1.00 0.00 H new ATOM 0 HB THR A 79 6.555 12.944 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.025 12.967 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.491 14.945 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.370 15.358 -4.636 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.845 15.512 -2.942 1.00 0.00 H new ATOM 1279 N VAL A 80 4.335 12.477 -6.340 1.00 0.00 N ATOM 1280 CA VAL A 80 4.294 12.501 -7.796 1.00 0.00 C ATOM 1281 C VAL A 80 2.890 12.185 -8.315 1.00 0.00 C ATOM 1282 O VAL A 80 2.312 12.956 -9.083 1.00 0.00 O ATOM 1283 CB VAL A 80 5.313 11.502 -8.398 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.142 11.376 -9.904 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.739 11.919 -8.059 1.00 0.00 C ATOM 0 H VAL A 80 4.317 11.542 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 80 4.563 13.509 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 80 5.120 10.525 -7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.872 10.668 -10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.136 11.021 -10.128 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.295 12.349 -10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.440 11.204 -8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.935 12.911 -8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.864 11.941 -6.976 1.00 0.00 H new ATOM 1295 N ASP A 81 2.335 11.064 -7.877 1.00 0.00 N ATOM 1296 CA ASP A 81 1.037 10.613 -8.368 1.00 0.00 C ATOM 1297 C ASP A 81 -0.082 11.089 -7.455 1.00 0.00 C ATOM 1298 O ASP A 81 0.165 11.588 -6.357 1.00 0.00 O ATOM 1299 CB ASP A 81 0.996 9.084 -8.481 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.015 8.598 -9.509 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -0.701 9.442 -10.126 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.128 7.372 -9.710 1.00 0.00 O ATOM 0 H ASP A 81 2.761 10.449 -7.183 1.00 0.00 H new ATOM 0 HA ASP A 81 0.891 11.043 -9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.986 8.717 -8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.752 8.658 -7.508 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.309 10.925 -7.916 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.474 11.346 -7.158 1.00 0.00 C ATOM 1309 C LYS A 82 -2.812 10.322 -6.085 1.00 0.00 C ATOM 1310 O LYS A 82 -3.376 9.269 -6.381 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.685 11.545 -8.078 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.476 11.055 -9.503 1.00 0.00 C ATOM 1313 CD LYS A 82 -4.115 9.693 -9.735 1.00 0.00 C ATOM 1314 CE LYS A 82 -4.126 9.327 -11.210 1.00 0.00 C ATOM 1315 NZ LYS A 82 -2.766 9.394 -11.812 1.00 0.00 N ATOM 0 H LYS A 82 -1.525 10.500 -8.818 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.235 12.297 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.542 11.025 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.936 12.605 -8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.899 11.778 -10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.408 10.995 -9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.569 8.934 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.136 9.699 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.527 8.320 -11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.793 10.002 -11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.684 8.680 -12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.611 10.340 -12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.052 9.209 -11.079 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.422 10.632 -4.851 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.772 9.820 -3.687 1.00 0.00 C ATOM 1331 C GLN A 83 -4.254 9.439 -3.719 1.00 0.00 C ATOM 1332 O GLN A 83 -5.131 10.301 -3.625 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.434 10.589 -2.399 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.183 10.105 -1.161 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.613 8.821 -0.593 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.549 8.816 0.023 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.321 7.725 -0.796 1.00 0.00 N ATOM 0 H GLN A 83 -1.856 11.451 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.190 8.898 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.363 10.511 -2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.655 11.645 -2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.151 10.881 -0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.232 9.951 -1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.199 7.773 -1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.990 6.830 -0.436 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.525 8.147 -3.871 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.894 7.670 -3.952 1.00 0.00 C ATOM 1348 C ILE A 84 -6.465 7.422 -2.558 1.00 0.00 C ATOM 1349 O ILE A 84 -5.903 6.664 -1.772 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.032 6.371 -4.789 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.063 6.357 -5.977 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.463 6.223 -5.288 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.246 5.088 -6.070 1.00 0.00 C ATOM 0 H ILE A 84 -3.816 7.417 -3.940 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.456 8.457 -4.455 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.781 5.531 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.629 6.484 -6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.389 7.210 -5.896 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.551 5.309 -5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.142 6.175 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.722 7.080 -5.910 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.582 5.145 -6.932 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.653 4.970 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.913 4.233 -6.182 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.565 8.088 -2.248 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.273 7.868 -0.994 1.00 0.00 C ATOM 1367 C LYS A 85 -9.776 7.861 -1.258 1.00 0.00 C ATOM 1368 O LYS A 85 -10.257 8.569 -2.144 1.00 0.00 O ATOM 1369 CB LYS A 85 -7.912 8.948 0.037 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.340 10.352 -0.360 1.00 0.00 C ATOM 1371 CD LYS A 85 -9.367 10.916 0.609 1.00 0.00 C ATOM 1372 CE LYS A 85 -9.386 12.434 0.571 1.00 0.00 C ATOM 1373 NZ LYS A 85 -10.686 12.986 1.032 1.00 0.00 N ATOM 0 H LYS A 85 -7.991 8.791 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.974 6.904 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.375 8.694 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.833 8.939 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.468 11.005 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.758 10.335 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.356 10.531 0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.140 10.578 1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.584 12.822 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.188 12.774 -0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.532 13.916 1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.328 13.088 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.110 12.341 1.729 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.507 7.047 -0.518 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.955 6.983 -0.666 1.00 0.00 C ATOM 1389 C ILE A 86 -12.632 7.880 0.360 1.00 0.00 C ATOM 1390 O ILE A 86 -12.198 7.951 1.513 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.488 5.540 -0.499 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.643 4.557 -1.305 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.946 5.453 -0.930 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.371 3.252 -0.586 1.00 0.00 C ATOM 0 H ILE A 86 -10.125 6.421 0.191 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.188 7.324 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.420 5.274 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.150 4.344 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.692 5.029 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.302 4.430 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.547 6.124 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -14.034 5.742 -1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.765 2.606 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.836 3.453 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.316 2.757 -0.361 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.671 8.583 -0.066 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.482 9.366 0.852 1.00 0.00 C ATOM 1408 C GLU A 87 -15.332 8.426 1.697 1.00 0.00 C ATOM 1409 O GLU A 87 -16.315 7.858 1.218 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.377 10.349 0.094 1.00 0.00 C ATOM 1411 CG GLU A 87 -14.627 11.250 -0.877 1.00 0.00 C ATOM 1412 CD GLU A 87 -13.488 12.013 -0.223 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -13.649 12.479 0.924 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -12.424 12.159 -0.858 1.00 0.00 O ATOM 0 H GLU A 87 -13.971 8.627 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.822 9.945 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.131 9.787 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.907 10.971 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.230 10.645 -1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.326 11.960 -1.318 1.00 0.00 H new ATOM 1421 N LEU A 88 -14.938 8.247 2.944 1.00 0.00 N ATOM 1422 CA LEU A 88 -15.592 7.295 3.816 1.00 0.00 C ATOM 1423 C LEU A 88 -16.631 7.973 4.696 1.00 0.00 C ATOM 1424 O LEU A 88 -16.389 9.052 5.238 1.00 0.00 O ATOM 1425 CB LEU A 88 -14.555 6.587 4.686 1.00 0.00 C ATOM 1426 CG LEU A 88 -14.941 5.176 5.118 1.00 0.00 C ATOM 1427 CD1 LEU A 88 -14.237 4.138 4.257 1.00 0.00 C ATOM 1428 CD2 LEU A 88 -14.616 4.962 6.586 1.00 0.00 C ATOM 0 H LEU A 88 -14.164 8.752 3.376 1.00 0.00 H new ATOM 0 HA LEU A 88 -16.104 6.563 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.613 6.540 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.376 7.189 5.577 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.016 5.058 4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.526 3.139 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.522 4.277 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -13.158 4.254 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.898 3.950 6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.547 5.101 6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.170 5.681 7.190 1.00 0.00 H new ATOM 1440 N PRO A 89 -17.809 7.350 4.832 1.00 0.00 N ATOM 1441 CA PRO A 89 -18.860 7.823 5.737 1.00 0.00 C ATOM 1442 C PRO A 89 -18.507 7.564 7.203 1.00 0.00 C ATOM 1443 O PRO A 89 -17.682 6.695 7.504 1.00 0.00 O ATOM 1444 CB PRO A 89 -20.077 6.994 5.321 1.00 0.00 C ATOM 1445 CG PRO A 89 -19.505 5.741 4.762 1.00 0.00 C ATOM 1446 CD PRO A 89 -18.216 6.135 4.101 1.00 0.00 C ATOM 0 HA PRO A 89 -19.019 8.899 5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -20.726 6.788 6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -20.680 7.519 4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -19.332 5.006 5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -20.188 5.286 4.045 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -17.466 5.348 4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -18.355 6.334 3.038 1.00 0.00 H new ATOM 1454 N PRO A 90 -19.117 8.329 8.134 1.00 0.00 N ATOM 1455 CA PRO A 90 -18.895 8.181 9.578 1.00 0.00 C ATOM 1456 C PRO A 90 -18.966 6.727 10.047 1.00 0.00 C ATOM 1457 O PRO A 90 -18.144 6.286 10.852 1.00 0.00 O ATOM 1458 CB PRO A 90 -20.026 9.002 10.219 1.00 0.00 C ATOM 1459 CG PRO A 90 -20.897 9.466 9.093 1.00 0.00 C ATOM 1460 CD PRO A 90 -20.057 9.420 7.851 1.00 0.00 C ATOM 0 HA PRO A 90 -17.897 8.519 9.856 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -20.594 8.397 10.926 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -19.625 9.849 10.775 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -21.773 8.825 8.992 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -21.261 10.477 9.277 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -20.657 9.217 6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -19.540 10.364 7.677 1.00 0.00 H new ATOM 1468 N LYS A 91 -19.939 5.983 9.540 1.00 0.00 N ATOM 1469 CA LYS A 91 -20.072 4.581 9.888 1.00 0.00 C ATOM 1470 C LYS A 91 -20.672 3.797 8.732 1.00 0.00 C ATOM 1471 O LYS A 91 -21.466 4.385 7.968 1.00 0.00 O ATOM 1472 CB LYS A 91 -20.921 4.405 11.153 1.00 0.00 C ATOM 1473 CG LYS A 91 -20.159 3.764 12.304 1.00 0.00 C ATOM 1474 CD LYS A 91 -19.749 2.334 11.981 1.00 0.00 C ATOM 1475 CE LYS A 91 -18.279 2.243 11.587 1.00 0.00 C ATOM 1476 NZ LYS A 91 -18.103 2.117 10.113 1.00 0.00 N ATOM 1477 OXT LYS A 91 -20.343 2.601 8.592 1.00 0.00 O ATOM 0 H LYS A 91 -20.644 6.328 8.889 1.00 0.00 H new ATOM 0 HA LYS A 91 -19.075 4.190 10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.294 5.379 11.471 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -21.791 3.792 10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -19.271 4.356 12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -20.780 3.771 13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -19.933 1.698 12.847 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -20.368 1.953 11.168 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.753 3.130 11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.824 1.385 12.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.536 1.271 9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.034 2.032 9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.615 2.960 9.748 1.00 0.00 H new TER 1491 LYS A 91 HETATM 1492 ZN ZN A 92 7.074 -0.422 -1.236 1.00 0.00 ZN