USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 879 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 47 MET CE :methyl -151:sc= 0 (180deg=-0.143) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0106) USER MOD Set 2.1: A 21 TYR OH : rot 30:sc= 0.93 USER MOD Set 2.2: A 94 LYS NZ :NH3+ 139:sc= 1.11 (180deg=0.0656) USER MOD Single : A 1 GLU N :NH3+ -110:sc= 0.0388 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= -1.17 USER MOD Single : A 6 CYS SG : rot -16:sc= 0.169 USER MOD Single : A 7 SER OG : rot -37:sc= 0.907 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0046) USER MOD Single : A 13 MET CE :methyl 161:sc= -0.738 (180deg=-1.18) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= -0.13 (180deg=-0.198) USER MOD Single : A 18 HIS : no HE2:sc= -1.04 K(o=-1,f=-2.1) USER MOD Single : A 26 TYR OH : rot -96:sc= 0.225 USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= -0.124 (180deg=-0.688) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.16) USER MOD Single : A 49 MET CE :methyl 171:sc= -1.4 (180deg=-1.53) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.485) USER MOD Single : A 54 SER OG : rot 37:sc= 0.798 USER MOD Single : A 61 TYR OH : rot 38:sc= -2.45! USER MOD Single : A 65 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 74 MET CE :methyl -160:sc= -0.0243 (180deg=-0.253) USER MOD Single : A 76 SER OG : rot 82:sc= 0.165 USER MOD Single : A 77 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.15) USER MOD Single : A 78 CYS SG : rot 153:sc= 1.02 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.7!) USER MOD Single : A 86 HIS : no HD1:sc= -0.425 X(o=-0.43,f=-0.65) USER MOD Single : A 91 MET CE :methyl -152:sc= -1.94 (180deg=-3.19!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 101 MET CE :methyl -146:sc= -0.373 (180deg=-1.71!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -159:sc= -0.0695 (180deg=-0.182) USER MOD Single : A 108 GLN : amide:sc= -0.0442 X(o=-0.044,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 171.590 -18.480 12.109 1.00 0.00 N ATOM 2 CA GLU A 1 171.906 -18.561 10.657 1.00 0.00 C ATOM 3 C GLU A 1 172.662 -17.323 10.186 1.00 0.00 C ATOM 4 O GLU A 1 172.547 -16.250 10.782 1.00 0.00 O ATOM 5 CB GLU A 1 170.598 -18.710 9.869 1.00 0.00 C ATOM 6 CG GLU A 1 170.792 -19.253 8.460 1.00 0.00 C ATOM 7 CD GLU A 1 171.042 -20.749 8.437 1.00 0.00 C ATOM 8 OE1 GLU A 1 172.063 -21.190 9.007 1.00 0.00 O ATOM 9 OE2 GLU A 1 170.219 -21.479 7.847 1.00 0.00 O ATOM 0 H1 GLU A 1 172.165 -19.173 12.629 1.00 0.00 H new ATOM 0 H2 GLU A 1 171.802 -17.523 12.458 1.00 0.00 H new ATOM 0 H3 GLU A 1 170.581 -18.687 12.257 1.00 0.00 H new ATOM 0 HA GLU A 1 172.546 -19.426 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 1 169.928 -19.374 10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 1 170.107 -17.739 9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 1 169.908 -19.028 7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.632 -18.741 7.991 1.00 0.00 H new ATOM 18 N GLN A 2 173.430 -17.480 9.109 1.00 0.00 N ATOM 19 CA GLN A 2 174.205 -16.375 8.546 1.00 0.00 C ATOM 20 C GLN A 2 173.293 -15.208 8.166 1.00 0.00 C ATOM 21 O GLN A 2 173.661 -14.045 8.336 1.00 0.00 O ATOM 22 CB GLN A 2 174.996 -16.845 7.324 1.00 0.00 C ATOM 23 CG GLN A 2 175.953 -17.989 7.623 1.00 0.00 C ATOM 24 CD GLN A 2 176.012 -19.013 6.505 1.00 0.00 C ATOM 25 OE1 GLN A 2 176.998 -19.093 5.773 1.00 0.00 O ATOM 26 NE2 GLN A 2 174.954 -19.805 6.371 1.00 0.00 N ATOM 0 H GLN A 2 173.532 -18.363 8.608 1.00 0.00 H new ATOM 0 HA GLN A 2 174.905 -16.031 9.307 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.298 -17.159 6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.562 -16.004 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 2 176.951 -17.586 7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 2 175.646 -18.482 8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 2 174.158 -19.704 7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 2 174.938 -20.515 5.639 1.00 0.00 H new ATOM 35 N LEU A 3 172.098 -15.528 7.664 1.00 0.00 N ATOM 36 CA LEU A 3 171.130 -14.504 7.276 1.00 0.00 C ATOM 37 C LEU A 3 170.703 -13.666 8.484 1.00 0.00 C ATOM 38 O LEU A 3 170.462 -12.466 8.359 1.00 0.00 O ATOM 39 CB LEU A 3 169.902 -15.146 6.627 1.00 0.00 C ATOM 40 CG LEU A 3 170.022 -15.406 5.123 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.014 -16.458 4.681 1.00 0.00 C ATOM 42 CD2 LEU A 3 169.826 -14.114 4.341 1.00 0.00 C ATOM 0 H LEU A 3 171.780 -16.486 7.518 1.00 0.00 H new ATOM 0 HA LEU A 3 171.611 -13.846 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 3 169.699 -16.092 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 3 169.040 -14.502 6.801 1.00 0.00 H new ATOM 0 HG LEU A 3 171.024 -15.783 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 3 169.114 -16.630 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 3 169.201 -17.389 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.005 -16.110 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 3 169.915 -14.318 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 3 168.837 -13.708 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 3 170.586 -13.391 4.637 1.00 0.00 H new ATOM 54 N LYS A 4 170.617 -14.305 9.654 1.00 0.00 N ATOM 55 CA LYS A 4 170.229 -13.610 10.881 1.00 0.00 C ATOM 56 C LYS A 4 171.350 -12.686 11.369 1.00 0.00 C ATOM 57 O LYS A 4 171.085 -11.634 11.949 1.00 0.00 O ATOM 58 CB LYS A 4 169.865 -14.617 11.978 1.00 0.00 C ATOM 59 CG LYS A 4 168.764 -14.133 12.914 1.00 0.00 C ATOM 60 CD LYS A 4 167.467 -14.906 12.710 1.00 0.00 C ATOM 61 CE LYS A 4 166.770 -15.193 14.034 1.00 0.00 C ATOM 62 NZ LYS A 4 165.353 -15.617 13.843 1.00 0.00 N ATOM 0 H LYS A 4 170.810 -15.299 9.776 1.00 0.00 H new ATOM 0 HA LYS A 4 169.354 -13.000 10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 4 169.549 -15.550 11.512 1.00 0.00 H new ATOM 0 HB3 LYS A 4 170.756 -14.840 12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 4 169.092 -14.241 13.948 1.00 0.00 H new ATOM 0 HG3 LYS A 4 168.585 -13.071 12.746 1.00 0.00 H new ATOM 0 HD2 LYS A 4 166.800 -14.335 12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 4 167.679 -15.845 12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 4 167.313 -15.974 14.567 1.00 0.00 H new ATOM 0 HE3 LYS A 4 166.800 -14.301 14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 164.918 -15.802 14.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 164.827 -14.862 13.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 165.324 -16.483 13.268 1.00 0.00 H new ATOM 76 N CYS A 5 172.603 -13.085 11.129 1.00 0.00 N ATOM 77 CA CYS A 5 173.760 -12.287 11.544 1.00 0.00 C ATOM 78 C CYS A 5 173.878 -11.014 10.707 1.00 0.00 C ATOM 79 O CYS A 5 174.056 -9.922 11.249 1.00 0.00 O ATOM 80 CB CYS A 5 175.052 -13.102 11.426 1.00 0.00 C ATOM 81 SG CYS A 5 176.208 -12.849 12.793 1.00 0.00 S ATOM 0 H CYS A 5 172.841 -13.954 10.651 1.00 0.00 H new ATOM 0 HA CYS A 5 173.610 -12.007 12.587 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.798 -14.160 11.370 1.00 0.00 H new ATOM 0 HB3 CYS A 5 175.549 -12.843 10.491 1.00 0.00 H new ATOM 0 HG CYS A 5 177.267 -13.580 12.607 1.00 0.00 H new ATOM 87 N CYS A 6 173.784 -11.162 9.383 1.00 0.00 N ATOM 88 CA CYS A 6 173.886 -10.020 8.473 1.00 0.00 C ATOM 89 C CYS A 6 172.709 -9.060 8.649 1.00 0.00 C ATOM 90 O CYS A 6 172.881 -7.842 8.563 1.00 0.00 O ATOM 91 CB CYS A 6 173.977 -10.489 7.015 1.00 0.00 C ATOM 92 SG CYS A 6 172.491 -11.312 6.395 1.00 0.00 S ATOM 0 H CYS A 6 173.638 -12.059 8.919 1.00 0.00 H new ATOM 0 HA CYS A 6 174.801 -9.483 8.723 1.00 0.00 H new ATOM 0 HB2 CYS A 6 174.190 -9.627 6.382 1.00 0.00 H new ATOM 0 HB3 CYS A 6 174.821 -11.171 6.919 1.00 0.00 H new ATOM 0 HG CYS A 6 171.733 -11.650 7.395 1.00 0.00 H new ATOM 98 N SER A 7 171.516 -9.608 8.901 1.00 0.00 N ATOM 99 CA SER A 7 170.320 -8.785 9.090 1.00 0.00 C ATOM 100 C SER A 7 170.512 -7.788 10.235 1.00 0.00 C ATOM 101 O SER A 7 170.004 -6.667 10.177 1.00 0.00 O ATOM 102 CB SER A 7 169.090 -9.661 9.354 1.00 0.00 C ATOM 103 OG SER A 7 169.164 -10.293 10.621 1.00 0.00 O ATOM 0 H SER A 7 171.354 -10.612 8.978 1.00 0.00 H new ATOM 0 HA SER A 7 170.157 -8.224 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 7 168.189 -9.050 9.303 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.006 -10.417 8.573 1.00 0.00 H new ATOM 0 HG SER A 7 170.091 -10.554 10.803 1.00 0.00 H new ATOM 109 N GLY A 8 171.255 -8.199 11.268 1.00 0.00 N ATOM 110 CA GLY A 8 171.508 -7.325 12.403 1.00 0.00 C ATOM 111 C GLY A 8 172.224 -6.048 12.003 1.00 0.00 C ATOM 112 O GLY A 8 171.860 -4.961 12.455 1.00 0.00 O ATOM 0 H GLY A 8 171.684 -9.122 11.336 1.00 0.00 H new ATOM 0 HA2 GLY A 8 170.562 -7.073 12.882 1.00 0.00 H new ATOM 0 HA3 GLY A 8 172.107 -7.858 13.142 1.00 0.00 H new ATOM 116 N ILE A 9 173.235 -6.176 11.142 1.00 0.00 N ATOM 117 CA ILE A 9 173.991 -5.018 10.671 1.00 0.00 C ATOM 118 C ILE A 9 173.082 -4.090 9.870 1.00 0.00 C ATOM 119 O ILE A 9 173.083 -2.875 10.073 1.00 0.00 O ATOM 120 CB ILE A 9 175.195 -5.433 9.793 1.00 0.00 C ATOM 121 CG1 ILE A 9 176.041 -6.498 10.502 1.00 0.00 C ATOM 122 CG2 ILE A 9 176.047 -4.217 9.449 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.504 -7.613 9.588 1.00 0.00 C ATOM 0 H ILE A 9 173.547 -7.068 10.758 1.00 0.00 H new ATOM 0 HA ILE A 9 174.373 -4.501 11.551 1.00 0.00 H new ATOM 0 HB ILE A 9 174.812 -5.861 8.867 1.00 0.00 H new ATOM 0 HG12 ILE A 9 176.913 -6.020 10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.460 -6.927 11.319 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.890 -4.526 8.831 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.443 -3.492 8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.418 -3.761 10.367 1.00 0.00 H new ATOM 0 HD11 ILE A 9 177.096 -8.329 10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.637 -8.118 9.162 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.112 -7.196 8.785 1.00 0.00 H new ATOM 135 N LEU A 10 172.293 -4.678 8.972 1.00 0.00 N ATOM 136 CA LEU A 10 171.359 -3.916 8.149 1.00 0.00 C ATOM 137 C LEU A 10 170.330 -3.196 9.023 1.00 0.00 C ATOM 138 O LEU A 10 169.907 -2.083 8.707 1.00 0.00 O ATOM 139 CB LEU A 10 170.651 -4.836 7.148 1.00 0.00 C ATOM 140 CG LEU A 10 170.245 -4.174 5.827 1.00 0.00 C ATOM 141 CD1 LEU A 10 171.476 -3.733 5.047 1.00 0.00 C ATOM 142 CD2 LEU A 10 169.395 -5.125 4.996 1.00 0.00 C ATOM 0 H LEU A 10 172.283 -5.683 8.797 1.00 0.00 H new ATOM 0 HA LEU A 10 171.927 -3.168 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 10 171.306 -5.679 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.757 -5.243 7.622 1.00 0.00 H new ATOM 0 HG LEU A 10 169.651 -3.289 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 10 171.166 -3.265 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 10 172.045 -3.017 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 10 172.099 -4.601 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 10 169.115 -4.640 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 10 169.966 -6.028 4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 10 168.495 -5.389 5.552 1.00 0.00 H new ATOM 154 N LYS A 11 169.932 -3.842 10.124 1.00 0.00 N ATOM 155 CA LYS A 11 168.952 -3.269 11.047 1.00 0.00 C ATOM 156 C LYS A 11 169.428 -1.922 11.590 1.00 0.00 C ATOM 157 O LYS A 11 168.624 -1.014 11.785 1.00 0.00 O ATOM 158 CB LYS A 11 168.683 -4.232 12.209 1.00 0.00 C ATOM 159 CG LYS A 11 167.229 -4.262 12.661 1.00 0.00 C ATOM 160 CD LYS A 11 167.043 -3.588 14.015 1.00 0.00 C ATOM 161 CE LYS A 11 166.102 -4.379 14.916 1.00 0.00 C ATOM 162 NZ LYS A 11 164.740 -4.521 14.324 1.00 0.00 N ATOM 0 H LYS A 11 170.275 -4.763 10.396 1.00 0.00 H new ATOM 0 HA LYS A 11 168.027 -3.110 10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 11 168.982 -5.237 11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 11 169.310 -3.950 13.055 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.607 -3.763 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.888 -5.296 12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 11 168.011 -3.482 14.504 1.00 0.00 H new ATOM 0 HD3 LYS A 11 166.648 -2.583 13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 11 166.522 -5.368 15.098 1.00 0.00 H new ATOM 0 HE3 LYS A 11 166.026 -3.883 15.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 164.126 -5.036 14.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 164.340 -3.578 14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 164.803 -5.048 13.430 1.00 0.00 H new ATOM 176 N GLU A 12 170.737 -1.796 11.827 1.00 0.00 N ATOM 177 CA GLU A 12 171.311 -0.550 12.343 1.00 0.00 C ATOM 178 C GLU A 12 171.065 0.611 11.381 1.00 0.00 C ATOM 179 O GLU A 12 170.794 1.732 11.815 1.00 0.00 O ATOM 180 CB GLU A 12 172.814 -0.713 12.595 1.00 0.00 C ATOM 181 CG GLU A 12 173.239 -0.364 14.013 1.00 0.00 C ATOM 182 CD GLU A 12 172.988 -1.495 14.991 1.00 0.00 C ATOM 183 OE1 GLU A 12 171.805 -1.818 15.235 1.00 0.00 O ATOM 184 OE2 GLU A 12 173.973 -2.059 15.512 1.00 0.00 O ATOM 0 H GLU A 12 171.418 -2.539 11.670 1.00 0.00 H new ATOM 0 HA GLU A 12 170.816 -0.323 13.287 1.00 0.00 H new ATOM 0 HB2 GLU A 12 173.099 -1.744 12.383 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.361 -0.081 11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 12 174.299 -0.112 14.019 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.698 0.523 14.343 1.00 0.00 H new ATOM 191 N MET A 13 171.143 0.339 10.076 1.00 0.00 N ATOM 192 CA MET A 13 170.907 1.372 9.068 1.00 0.00 C ATOM 193 C MET A 13 169.506 1.962 9.232 1.00 0.00 C ATOM 194 O MET A 13 169.304 3.165 9.058 1.00 0.00 O ATOM 195 CB MET A 13 171.068 0.800 7.656 1.00 0.00 C ATOM 196 CG MET A 13 172.505 0.781 7.162 1.00 0.00 C ATOM 197 SD MET A 13 173.522 -0.428 8.030 1.00 0.00 S ATOM 198 CE MET A 13 174.849 -0.662 6.852 1.00 0.00 C ATOM 0 H MET A 13 171.366 -0.581 9.696 1.00 0.00 H new ATOM 0 HA MET A 13 171.646 2.161 9.210 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.674 -0.216 7.639 1.00 0.00 H new ATOM 0 HB3 MET A 13 170.464 1.388 6.965 1.00 0.00 H new ATOM 0 HG2 MET A 13 172.515 0.559 6.095 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.941 1.772 7.286 1.00 0.00 H new ATOM 0 HE1 MET A 13 175.710 -1.101 7.356 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.516 -1.329 6.057 1.00 0.00 H new ATOM 0 HE3 MET A 13 175.130 0.301 6.425 1.00 0.00 H new ATOM 208 N PHE A 14 168.544 1.102 9.579 1.00 0.00 N ATOM 209 CA PHE A 14 167.159 1.525 9.783 1.00 0.00 C ATOM 210 C PHE A 14 166.779 1.493 11.272 1.00 0.00 C ATOM 211 O PHE A 14 165.596 1.500 11.616 1.00 0.00 O ATOM 212 CB PHE A 14 166.214 0.620 8.987 1.00 0.00 C ATOM 213 CG PHE A 14 165.456 1.336 7.905 1.00 0.00 C ATOM 214 CD1 PHE A 14 165.997 1.474 6.636 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.201 1.866 8.155 1.00 0.00 C ATOM 216 CE1 PHE A 14 165.300 2.128 5.638 1.00 0.00 C ATOM 217 CE2 PHE A 14 163.499 2.520 7.161 1.00 0.00 C ATOM 218 CZ PHE A 14 164.049 2.651 5.901 1.00 0.00 C ATOM 0 H PHE A 14 168.702 0.105 9.725 1.00 0.00 H new ATOM 0 HA PHE A 14 167.065 2.552 9.430 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.792 -0.188 8.539 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.502 0.161 9.673 1.00 0.00 H new ATOM 0 HD1 PHE A 14 166.974 1.066 6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 14 163.766 1.767 9.139 1.00 0.00 H new ATOM 0 HE1 PHE A 14 165.733 2.230 4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 14 162.521 2.928 7.369 1.00 0.00 H new ATOM 0 HZ PHE A 14 163.502 3.162 5.122 1.00 0.00 H new ATOM 228 N ALA A 15 167.786 1.461 12.151 1.00 0.00 N ATOM 229 CA ALA A 15 167.550 1.431 13.596 1.00 0.00 C ATOM 230 C ALA A 15 167.469 2.840 14.187 1.00 0.00 C ATOM 231 O ALA A 15 167.293 3.002 15.396 1.00 0.00 O ATOM 232 CB ALA A 15 168.646 0.636 14.291 1.00 0.00 C ATOM 0 H ALA A 15 168.771 1.455 11.886 1.00 0.00 H new ATOM 0 HA ALA A 15 166.589 0.945 13.763 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.459 0.621 15.365 1.00 0.00 H new ATOM 0 HB2 ALA A 15 168.653 -0.385 13.909 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.612 1.102 14.097 1.00 0.00 H new ATOM 238 N LYS A 16 167.617 3.852 13.329 1.00 0.00 N ATOM 239 CA LYS A 16 167.577 5.256 13.749 1.00 0.00 C ATOM 240 C LYS A 16 168.902 5.683 14.390 1.00 0.00 C ATOM 241 O LYS A 16 168.970 6.713 15.062 1.00 0.00 O ATOM 242 CB LYS A 16 166.413 5.511 14.720 1.00 0.00 C ATOM 243 CG LYS A 16 165.609 6.762 14.395 1.00 0.00 C ATOM 244 CD LYS A 16 164.572 7.062 15.468 1.00 0.00 C ATOM 245 CE LYS A 16 163.213 6.469 15.119 1.00 0.00 C ATOM 246 NZ LYS A 16 162.094 7.401 15.439 1.00 0.00 N ATOM 0 H LYS A 16 167.767 3.723 12.328 1.00 0.00 H new ATOM 0 HA LYS A 16 167.419 5.858 12.854 1.00 0.00 H new ATOM 0 HB2 LYS A 16 165.747 4.648 14.709 1.00 0.00 H new ATOM 0 HB3 LYS A 16 166.808 5.596 15.732 1.00 0.00 H new ATOM 0 HG2 LYS A 16 166.284 7.612 14.294 1.00 0.00 H new ATOM 0 HG3 LYS A 16 165.111 6.635 13.434 1.00 0.00 H new ATOM 0 HD2 LYS A 16 164.910 6.660 16.423 1.00 0.00 H new ATOM 0 HD3 LYS A 16 164.478 8.141 15.591 1.00 0.00 H new ATOM 0 HE2 LYS A 16 163.187 6.224 14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 16 163.074 5.536 15.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 161.189 6.956 15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 162.101 7.616 16.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 162.211 8.282 14.899 1.00 0.00 H new ATOM 260 N LYS A 17 169.955 4.894 14.165 1.00 0.00 N ATOM 261 CA LYS A 17 171.275 5.199 14.709 1.00 0.00 C ATOM 262 C LYS A 17 172.225 5.648 13.598 1.00 0.00 C ATOM 263 O LYS A 17 173.061 6.530 13.803 1.00 0.00 O ATOM 264 CB LYS A 17 171.847 3.982 15.438 1.00 0.00 C ATOM 265 CG LYS A 17 171.125 3.663 16.738 1.00 0.00 C ATOM 266 CD LYS A 17 171.775 2.497 17.468 1.00 0.00 C ATOM 267 CE LYS A 17 172.687 2.976 18.588 1.00 0.00 C ATOM 268 NZ LYS A 17 173.772 3.868 18.085 1.00 0.00 N ATOM 0 H LYS A 17 169.917 4.039 13.609 1.00 0.00 H new ATOM 0 HA LYS A 17 171.170 6.015 15.424 1.00 0.00 H new ATOM 0 HB2 LYS A 17 171.794 3.115 14.779 1.00 0.00 H new ATOM 0 HB3 LYS A 17 172.902 4.157 15.650 1.00 0.00 H new ATOM 0 HG2 LYS A 17 171.127 4.543 17.382 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.082 3.425 16.527 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.002 1.848 17.880 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.350 1.899 16.761 1.00 0.00 H new ATOM 0 HE2 LYS A 17 172.096 3.509 19.333 1.00 0.00 H new ATOM 0 HE3 LYS A 17 173.129 2.115 19.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 174.437 4.075 18.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 174.278 3.395 17.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 173.358 4.756 17.737 1.00 0.00 H new ATOM 282 N HIS A 18 172.081 5.041 12.420 1.00 0.00 N ATOM 283 CA HIS A 18 172.916 5.381 11.270 1.00 0.00 C ATOM 284 C HIS A 18 172.100 6.033 10.147 1.00 0.00 C ATOM 285 O HIS A 18 172.661 6.442 9.128 1.00 0.00 O ATOM 286 CB HIS A 18 173.619 4.132 10.739 1.00 0.00 C ATOM 287 CG HIS A 18 175.074 4.075 11.081 1.00 0.00 C ATOM 288 ND1 HIS A 18 175.602 4.627 12.230 1.00 0.00 N ATOM 289 CD2 HIS A 18 176.117 3.531 10.415 1.00 0.00 C ATOM 290 CE1 HIS A 18 176.906 4.425 12.254 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.246 3.762 11.164 1.00 0.00 N ATOM 0 H HIS A 18 171.393 4.311 12.238 1.00 0.00 H new ATOM 0 HA HIS A 18 173.660 6.103 11.608 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.125 3.248 11.141 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.507 4.095 9.655 1.00 0.00 H new ATOM 0 HD1 HIS A 18 175.068 5.115 12.949 1.00 0.00 H new ATOM 0 HD2 HIS A 18 176.072 3.011 9.469 1.00 0.00 H new ATOM 0 HE1 HIS A 18 177.581 4.747 13.033 1.00 0.00 H new ATOM 300 N ALA A 19 170.780 6.135 10.334 1.00 0.00 N ATOM 301 CA ALA A 19 169.908 6.742 9.328 1.00 0.00 C ATOM 302 C ALA A 19 170.303 8.192 9.049 1.00 0.00 C ATOM 303 O ALA A 19 170.107 8.689 7.942 1.00 0.00 O ATOM 304 CB ALA A 19 168.452 6.669 9.764 1.00 0.00 C ATOM 0 H ALA A 19 170.296 5.806 11.169 1.00 0.00 H new ATOM 0 HA ALA A 19 170.028 6.175 8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.821 7.126 9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.164 5.626 9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.327 7.203 10.706 1.00 0.00 H new ATOM 310 N ALA A 20 170.865 8.865 10.057 1.00 0.00 N ATOM 311 CA ALA A 20 171.293 10.256 9.905 1.00 0.00 C ATOM 312 C ALA A 20 172.425 10.368 8.887 1.00 0.00 C ATOM 313 O ALA A 20 172.397 11.231 8.010 1.00 0.00 O ATOM 314 CB ALA A 20 171.724 10.835 11.246 1.00 0.00 C ATOM 0 H ALA A 20 171.033 8.470 10.982 1.00 0.00 H new ATOM 0 HA ALA A 20 170.444 10.832 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.039 11.870 11.111 1.00 0.00 H new ATOM 0 HB2 ALA A 20 170.888 10.798 11.944 1.00 0.00 H new ATOM 0 HB3 ALA A 20 172.555 10.252 11.644 1.00 0.00 H new ATOM 320 N TYR A 21 173.414 9.483 9.005 1.00 0.00 N ATOM 321 CA TYR A 21 174.551 9.475 8.087 1.00 0.00 C ATOM 322 C TYR A 21 174.127 8.993 6.699 1.00 0.00 C ATOM 323 O TYR A 21 174.646 9.463 5.687 1.00 0.00 O ATOM 324 CB TYR A 21 175.673 8.588 8.633 1.00 0.00 C ATOM 325 CG TYR A 21 176.843 9.369 9.193 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.646 10.375 10.132 1.00 0.00 C ATOM 327 CD2 TYR A 21 178.142 9.102 8.781 1.00 0.00 C ATOM 328 CE1 TYR A 21 177.711 11.093 10.642 1.00 0.00 C ATOM 329 CE2 TYR A 21 179.211 9.816 9.285 1.00 0.00 C ATOM 330 CZ TYR A 21 178.993 10.810 10.215 1.00 0.00 C ATOM 331 OH TYR A 21 180.061 11.523 10.717 1.00 0.00 O ATOM 0 H TYR A 21 173.450 8.763 9.727 1.00 0.00 H new ATOM 0 HA TYR A 21 174.921 10.496 7.998 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.269 7.945 9.414 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.030 7.936 7.836 1.00 0.00 H new ATOM 0 HD1 TYR A 21 175.644 10.599 10.468 1.00 0.00 H new ATOM 0 HD2 TYR A 21 178.319 8.323 8.054 1.00 0.00 H new ATOM 0 HE1 TYR A 21 177.541 11.872 11.371 1.00 0.00 H new ATOM 0 HE2 TYR A 21 180.215 9.596 8.952 1.00 0.00 H new ATOM 0 HH TYR A 21 179.860 11.814 11.631 1.00 0.00 H new ATOM 341 N ALA A 22 173.174 8.060 6.660 1.00 0.00 N ATOM 342 CA ALA A 22 172.674 7.523 5.396 1.00 0.00 C ATOM 343 C ALA A 22 171.367 8.205 4.971 1.00 0.00 C ATOM 344 O ALA A 22 170.618 7.668 4.153 1.00 0.00 O ATOM 345 CB ALA A 22 172.472 6.017 5.508 1.00 0.00 C ATOM 0 H ALA A 22 172.734 7.662 7.490 1.00 0.00 H new ATOM 0 HA ALA A 22 173.420 7.728 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.099 5.628 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.422 5.539 5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.750 5.804 6.296 1.00 0.00 H new ATOM 351 N TRP A 23 171.098 9.390 5.527 1.00 0.00 N ATOM 352 CA TRP A 23 169.885 10.135 5.202 1.00 0.00 C ATOM 353 C TRP A 23 169.811 10.461 3.708 1.00 0.00 C ATOM 354 O TRP A 23 168.800 10.179 3.062 1.00 0.00 O ATOM 355 CB TRP A 23 169.810 11.419 6.033 1.00 0.00 C ATOM 356 CG TRP A 23 168.455 12.060 6.021 1.00 0.00 C ATOM 357 CD1 TRP A 23 167.470 11.914 6.956 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.935 12.951 5.026 1.00 0.00 C ATOM 359 NE1 TRP A 23 166.372 12.662 6.606 1.00 0.00 N ATOM 360 CE2 TRP A 23 166.632 13.307 5.425 1.00 0.00 C ATOM 361 CE3 TRP A 23 168.444 13.483 3.837 1.00 0.00 C ATOM 362 CZ2 TRP A 23 165.836 14.171 4.679 1.00 0.00 C ATOM 363 CZ3 TRP A 23 167.651 14.340 3.098 1.00 0.00 C ATOM 364 CH2 TRP A 23 166.359 14.676 3.521 1.00 0.00 C ATOM 0 H TRP A 23 171.706 9.851 6.204 1.00 0.00 H new ATOM 0 HA TRP A 23 169.030 9.504 5.447 1.00 0.00 H new ATOM 0 HB2 TRP A 23 170.087 11.193 7.063 1.00 0.00 H new ATOM 0 HB3 TRP A 23 170.543 12.131 5.654 1.00 0.00 H new ATOM 0 HD1 TRP A 23 167.544 11.300 7.841 1.00 0.00 H new ATOM 0 HE1 TRP A 23 165.504 12.727 7.138 1.00 0.00 H new ATOM 0 HE3 TRP A 23 169.439 13.229 3.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 164.840 14.433 5.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 168.034 14.758 2.179 1.00 0.00 H new ATOM 0 HH2 TRP A 23 165.764 15.348 2.920 1.00 0.00 H new ATOM 375 N PRO A 24 170.879 11.057 3.129 1.00 0.00 N ATOM 376 CA PRO A 24 170.904 11.406 1.702 1.00 0.00 C ATOM 377 C PRO A 24 170.989 10.180 0.787 1.00 0.00 C ATOM 378 O PRO A 24 170.837 10.301 -0.430 1.00 0.00 O ATOM 379 CB PRO A 24 172.161 12.266 1.568 1.00 0.00 C ATOM 380 CG PRO A 24 173.048 11.819 2.677 1.00 0.00 C ATOM 381 CD PRO A 24 172.137 11.435 3.810 1.00 0.00 C ATOM 0 HA PRO A 24 169.988 11.912 1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 24 172.637 12.122 0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 24 171.925 13.327 1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 24 173.663 10.974 2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 24 173.729 12.616 2.977 1.00 0.00 H new ATOM 0 HD2 PRO A 24 172.544 10.606 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.986 12.264 4.502 1.00 0.00 H new ATOM 389 N PHE A 25 171.228 9.004 1.373 1.00 0.00 N ATOM 390 CA PHE A 25 171.325 7.766 0.607 1.00 0.00 C ATOM 391 C PHE A 25 170.267 6.758 1.062 1.00 0.00 C ATOM 392 O PHE A 25 170.547 5.567 1.213 1.00 0.00 O ATOM 393 CB PHE A 25 172.730 7.171 0.746 1.00 0.00 C ATOM 394 CG PHE A 25 173.173 6.382 -0.456 1.00 0.00 C ATOM 395 CD1 PHE A 25 173.695 7.023 -1.570 1.00 0.00 C ATOM 396 CD2 PHE A 25 173.071 5.000 -0.471 1.00 0.00 C ATOM 397 CE1 PHE A 25 174.104 6.300 -2.675 1.00 0.00 C ATOM 398 CE2 PHE A 25 173.479 4.273 -1.572 1.00 0.00 C ATOM 399 CZ PHE A 25 173.996 4.924 -2.675 1.00 0.00 C ATOM 0 H PHE A 25 171.358 8.887 2.378 1.00 0.00 H new ATOM 0 HA PHE A 25 171.142 7.994 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.441 7.978 0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 25 172.757 6.525 1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 25 173.783 8.099 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 25 172.668 4.485 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 25 174.507 6.811 -3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 25 173.394 3.196 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 25 174.315 4.357 -3.537 1.00 0.00 H new ATOM 409 N TYR A 26 169.044 7.246 1.274 1.00 0.00 N ATOM 410 CA TYR A 26 167.939 6.394 1.703 1.00 0.00 C ATOM 411 C TYR A 26 167.140 5.895 0.495 1.00 0.00 C ATOM 412 O TYR A 26 166.688 4.749 0.471 1.00 0.00 O ATOM 413 CB TYR A 26 167.019 7.156 2.664 1.00 0.00 C ATOM 414 CG TYR A 26 166.866 6.507 4.026 1.00 0.00 C ATOM 415 CD1 TYR A 26 167.975 6.078 4.749 1.00 0.00 C ATOM 416 CD2 TYR A 26 165.609 6.330 4.591 1.00 0.00 C ATOM 417 CE1 TYR A 26 167.833 5.493 5.993 1.00 0.00 C ATOM 418 CE2 TYR A 26 165.460 5.748 5.835 1.00 0.00 C ATOM 419 CZ TYR A 26 166.575 5.330 6.531 1.00 0.00 C ATOM 420 OH TYR A 26 166.433 4.750 7.770 1.00 0.00 O ATOM 0 H TYR A 26 168.796 8.228 1.155 1.00 0.00 H new ATOM 0 HA TYR A 26 168.356 5.532 2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 26 167.408 8.166 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 26 166.034 7.251 2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 26 168.963 6.204 4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 26 164.733 6.653 4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 26 168.704 5.165 6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 26 164.475 5.621 6.260 1.00 0.00 H new ATOM 0 HH TYR A 26 166.246 3.794 7.664 1.00 0.00 H new ATOM 430 N LYS A 27 166.971 6.765 -0.505 1.00 0.00 N ATOM 431 CA LYS A 27 166.227 6.419 -1.719 1.00 0.00 C ATOM 432 C LYS A 27 167.170 6.249 -2.912 1.00 0.00 C ATOM 433 O LYS A 27 168.305 6.726 -2.885 1.00 0.00 O ATOM 434 CB LYS A 27 165.188 7.500 -2.033 1.00 0.00 C ATOM 435 CG LYS A 27 164.282 7.843 -0.859 1.00 0.00 C ATOM 436 CD LYS A 27 162.846 8.071 -1.310 1.00 0.00 C ATOM 437 CE LYS A 27 161.851 7.360 -0.403 1.00 0.00 C ATOM 438 NZ LYS A 27 162.069 5.884 -0.372 1.00 0.00 N ATOM 0 H LYS A 27 167.340 7.716 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 27 165.719 5.471 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 27 165.704 8.404 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 27 164.573 7.167 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 27 164.311 7.035 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.654 8.738 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 27 162.632 9.140 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 27 162.725 7.715 -2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 27 161.935 7.759 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 27 160.837 7.568 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 161.169 5.404 -0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 162.431 5.567 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 162.759 5.651 0.370 1.00 0.00 H new ATOM 452 N PRO A 28 166.706 5.561 -3.978 1.00 0.00 N ATOM 453 CA PRO A 28 167.509 5.324 -5.191 1.00 0.00 C ATOM 454 C PRO A 28 167.937 6.622 -5.881 1.00 0.00 C ATOM 455 O PRO A 28 167.674 7.720 -5.383 1.00 0.00 O ATOM 456 CB PRO A 28 166.563 4.527 -6.102 1.00 0.00 C ATOM 457 CG PRO A 28 165.535 3.953 -5.189 1.00 0.00 C ATOM 458 CD PRO A 28 165.365 4.956 -4.086 1.00 0.00 C ATOM 0 HA PRO A 28 168.440 4.807 -4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 28 166.107 5.170 -6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.099 3.742 -6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 28 164.595 3.786 -5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 28 165.856 2.989 -4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.606 5.699 -4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.060 4.482 -3.153 1.00 0.00 H new ATOM 466 N VAL A 29 168.599 6.487 -7.032 1.00 0.00 N ATOM 467 CA VAL A 29 169.064 7.646 -7.792 1.00 0.00 C ATOM 468 C VAL A 29 168.086 8.004 -8.915 1.00 0.00 C ATOM 469 O VAL A 29 168.308 7.674 -10.083 1.00 0.00 O ATOM 470 CB VAL A 29 170.473 7.415 -8.387 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.530 7.487 -7.294 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.547 6.081 -9.120 1.00 0.00 C ATOM 0 H VAL A 29 168.824 5.587 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 29 169.118 8.478 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 29 170.669 8.206 -9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.516 7.322 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 29 171.501 8.470 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.332 6.720 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 29 171.549 5.945 -9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 29 170.325 5.271 -8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 29 169.820 6.071 -9.932 1.00 0.00 H new ATOM 482 N ASP A 30 167.001 8.689 -8.548 1.00 0.00 N ATOM 483 CA ASP A 30 165.984 9.105 -9.512 1.00 0.00 C ATOM 484 C ASP A 30 166.570 10.089 -10.524 1.00 0.00 C ATOM 485 O ASP A 30 166.743 11.271 -10.222 1.00 0.00 O ATOM 486 CB ASP A 30 164.795 9.751 -8.790 1.00 0.00 C ATOM 487 CG ASP A 30 163.470 9.452 -9.463 1.00 0.00 C ATOM 488 OD1 ASP A 30 163.379 9.616 -10.699 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.521 9.059 -8.752 1.00 0.00 O ATOM 0 H ASP A 30 166.805 8.967 -7.587 1.00 0.00 H new ATOM 0 HA ASP A 30 165.639 8.218 -10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.763 9.395 -7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 30 164.942 10.830 -8.750 1.00 0.00 H new ATOM 494 N VAL A 31 166.883 9.596 -11.721 1.00 0.00 N ATOM 495 CA VAL A 31 167.460 10.438 -12.767 1.00 0.00 C ATOM 496 C VAL A 31 166.501 11.556 -13.188 1.00 0.00 C ATOM 497 O VAL A 31 166.928 12.687 -13.425 1.00 0.00 O ATOM 498 CB VAL A 31 167.874 9.606 -14.002 1.00 0.00 C ATOM 499 CG1 VAL A 31 166.671 8.926 -14.643 1.00 0.00 C ATOM 500 CG2 VAL A 31 168.609 10.474 -15.013 1.00 0.00 C ATOM 0 H VAL A 31 166.747 8.621 -11.990 1.00 0.00 H new ATOM 0 HA VAL A 31 168.354 10.895 -12.342 1.00 0.00 H new ATOM 0 HB VAL A 31 168.553 8.823 -13.664 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.997 8.349 -15.508 1.00 0.00 H new ATOM 0 HG12 VAL A 31 166.201 8.260 -13.919 1.00 0.00 H new ATOM 0 HG13 VAL A 31 165.952 9.682 -14.961 1.00 0.00 H new ATOM 0 HG21 VAL A 31 168.892 9.869 -15.875 1.00 0.00 H new ATOM 0 HG22 VAL A 31 167.958 11.286 -15.337 1.00 0.00 H new ATOM 0 HG23 VAL A 31 169.505 10.890 -14.552 1.00 0.00 H new ATOM 510 N GLU A 32 165.208 11.236 -13.275 1.00 0.00 N ATOM 511 CA GLU A 32 164.194 12.219 -13.660 1.00 0.00 C ATOM 512 C GLU A 32 163.953 13.237 -12.540 1.00 0.00 C ATOM 513 O GLU A 32 163.897 14.441 -12.790 1.00 0.00 O ATOM 514 CB GLU A 32 162.877 11.519 -14.020 1.00 0.00 C ATOM 515 CG GLU A 32 161.792 12.469 -14.514 1.00 0.00 C ATOM 516 CD GLU A 32 160.385 11.945 -14.277 1.00 0.00 C ATOM 517 OE1 GLU A 32 160.189 11.158 -13.326 1.00 0.00 O ATOM 518 OE2 GLU A 32 159.477 12.325 -15.046 1.00 0.00 O ATOM 0 H GLU A 32 164.839 10.304 -13.084 1.00 0.00 H new ATOM 0 HA GLU A 32 164.566 12.753 -14.534 1.00 0.00 H new ATOM 0 HB2 GLU A 32 163.072 10.772 -14.790 1.00 0.00 H new ATOM 0 HB3 GLU A 32 162.509 10.985 -13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 32 161.904 13.430 -14.013 1.00 0.00 H new ATOM 0 HG3 GLU A 32 161.932 12.647 -15.580 1.00 0.00 H new ATOM 525 N ALA A 33 163.794 12.742 -11.309 1.00 0.00 N ATOM 526 CA ALA A 33 163.540 13.609 -10.156 1.00 0.00 C ATOM 527 C ALA A 33 164.768 14.434 -9.771 1.00 0.00 C ATOM 528 O ALA A 33 164.667 15.644 -9.570 1.00 0.00 O ATOM 529 CB ALA A 33 163.067 12.783 -8.964 1.00 0.00 C ATOM 0 H ALA A 33 163.837 11.748 -11.086 1.00 0.00 H new ATOM 0 HA ALA A 33 162.755 14.308 -10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 33 162.883 13.442 -8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 33 162.146 12.261 -9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 33 163.834 12.055 -8.699 1.00 0.00 H new ATOM 535 N LEU A 34 165.921 13.778 -9.656 1.00 0.00 N ATOM 536 CA LEU A 34 167.157 14.465 -9.279 1.00 0.00 C ATOM 537 C LEU A 34 167.812 15.162 -10.472 1.00 0.00 C ATOM 538 O LEU A 34 168.607 16.087 -10.293 1.00 0.00 O ATOM 539 CB LEU A 34 168.147 13.479 -8.658 1.00 0.00 C ATOM 540 CG LEU A 34 167.661 12.779 -7.387 1.00 0.00 C ATOM 541 CD1 LEU A 34 168.574 11.612 -7.038 1.00 0.00 C ATOM 542 CD2 LEU A 34 167.584 13.768 -6.231 1.00 0.00 C ATOM 0 H LEU A 34 166.026 12.776 -9.817 1.00 0.00 H new ATOM 0 HA LEU A 34 166.889 15.227 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 34 168.392 12.720 -9.400 1.00 0.00 H new ATOM 0 HB3 LEU A 34 169.070 14.012 -8.430 1.00 0.00 H new ATOM 0 HG LEU A 34 166.661 12.386 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 34 168.213 11.126 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 34 168.576 10.894 -7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 34 169.587 11.979 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 34 167.237 13.254 -5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 34 168.572 14.190 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 34 166.888 14.568 -6.483 1.00 0.00 H new ATOM 554 N GLY A 35 167.482 14.720 -11.686 1.00 0.00 N ATOM 555 CA GLY A 35 168.059 15.320 -12.878 1.00 0.00 C ATOM 556 C GLY A 35 169.535 15.004 -13.030 1.00 0.00 C ATOM 557 O GLY A 35 170.355 15.911 -13.166 1.00 0.00 O ATOM 0 H GLY A 35 166.827 13.959 -11.864 1.00 0.00 H new ATOM 0 HA2 GLY A 35 167.522 14.963 -13.757 1.00 0.00 H new ATOM 0 HA3 GLY A 35 167.924 16.401 -12.839 1.00 0.00 H new ATOM 561 N LEU A 36 169.874 13.714 -13.007 1.00 0.00 N ATOM 562 CA LEU A 36 171.266 13.286 -13.142 1.00 0.00 C ATOM 563 C LEU A 36 171.422 12.264 -14.268 1.00 0.00 C ATOM 564 O LEU A 36 171.723 11.093 -14.026 1.00 0.00 O ATOM 565 CB LEU A 36 171.793 12.708 -11.817 1.00 0.00 C ATOM 566 CG LEU A 36 170.768 11.952 -10.960 1.00 0.00 C ATOM 567 CD1 LEU A 36 170.649 10.503 -11.411 1.00 0.00 C ATOM 568 CD2 LEU A 36 171.155 12.022 -9.489 1.00 0.00 C ATOM 0 H LEU A 36 169.206 12.951 -12.897 1.00 0.00 H new ATOM 0 HA LEU A 36 171.859 14.165 -13.396 1.00 0.00 H new ATOM 0 HB2 LEU A 36 172.619 12.033 -12.041 1.00 0.00 H new ATOM 0 HB3 LEU A 36 172.201 13.526 -11.223 1.00 0.00 H new ATOM 0 HG LEU A 36 169.796 12.428 -11.088 1.00 0.00 H new ATOM 0 HD11 LEU A 36 169.917 9.987 -10.789 1.00 0.00 H new ATOM 0 HD12 LEU A 36 170.327 10.471 -12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 36 171.617 10.011 -11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 36 170.419 11.482 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 36 172.137 11.571 -9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 36 171.186 13.064 -9.170 1.00 0.00 H new ATOM 580 N HIS A 37 171.223 12.717 -15.505 1.00 0.00 N ATOM 581 CA HIS A 37 171.348 11.844 -16.672 1.00 0.00 C ATOM 582 C HIS A 37 172.788 11.359 -16.852 1.00 0.00 C ATOM 583 O HIS A 37 173.025 10.328 -17.484 1.00 0.00 O ATOM 584 CB HIS A 37 170.879 12.567 -17.938 1.00 0.00 C ATOM 585 CG HIS A 37 169.460 13.046 -17.860 1.00 0.00 C ATOM 586 ND1 HIS A 37 169.117 14.325 -17.475 1.00 0.00 N ATOM 587 CD2 HIS A 37 168.294 12.407 -18.116 1.00 0.00 C ATOM 588 CE1 HIS A 37 167.802 14.452 -17.497 1.00 0.00 C ATOM 589 NE2 HIS A 37 167.280 13.302 -17.881 1.00 0.00 N ATOM 0 H HIS A 37 170.975 13.682 -15.725 1.00 0.00 H new ATOM 0 HA HIS A 37 170.713 10.975 -16.503 1.00 0.00 H new ATOM 0 HB2 HIS A 37 171.533 13.419 -18.124 1.00 0.00 H new ATOM 0 HB3 HIS A 37 170.981 11.895 -18.790 1.00 0.00 H new ATOM 0 HD2 HIS A 37 168.183 11.384 -18.444 1.00 0.00 H new ATOM 0 HE1 HIS A 37 167.249 15.344 -17.244 1.00 0.00 H new ATOM 0 HE2 HIS A 37 166.284 13.109 -17.986 1.00 0.00 H new ATOM 598 N ASP A 38 173.747 12.098 -16.286 1.00 0.00 N ATOM 599 CA ASP A 38 175.157 11.729 -16.385 1.00 0.00 C ATOM 600 C ASP A 38 175.497 10.573 -15.442 1.00 0.00 C ATOM 601 O ASP A 38 176.501 9.887 -15.633 1.00 0.00 O ATOM 602 CB ASP A 38 176.049 12.933 -16.063 1.00 0.00 C ATOM 603 CG ASP A 38 176.338 13.788 -17.282 1.00 0.00 C ATOM 604 OD1 ASP A 38 175.427 14.521 -17.722 1.00 0.00 O ATOM 605 OD2 ASP A 38 177.476 13.727 -17.794 1.00 0.00 O ATOM 0 H ASP A 38 173.571 12.952 -15.757 1.00 0.00 H new ATOM 0 HA ASP A 38 175.341 11.405 -17.409 1.00 0.00 H new ATOM 0 HB2 ASP A 38 175.566 13.545 -15.301 1.00 0.00 H new ATOM 0 HB3 ASP A 38 176.990 12.581 -15.640 1.00 0.00 H new ATOM 610 N TYR A 39 174.657 10.356 -14.426 1.00 0.00 N ATOM 611 CA TYR A 39 174.879 9.279 -13.466 1.00 0.00 C ATOM 612 C TYR A 39 174.877 7.920 -14.160 1.00 0.00 C ATOM 613 O TYR A 39 175.748 7.089 -13.909 1.00 0.00 O ATOM 614 CB TYR A 39 173.810 9.307 -12.373 1.00 0.00 C ATOM 615 CG TYR A 39 174.323 8.884 -11.015 1.00 0.00 C ATOM 616 CD1 TYR A 39 174.885 9.810 -10.145 1.00 0.00 C ATOM 617 CD2 TYR A 39 174.246 7.559 -10.604 1.00 0.00 C ATOM 618 CE1 TYR A 39 175.356 9.427 -8.904 1.00 0.00 C ATOM 619 CE2 TYR A 39 174.715 7.170 -9.364 1.00 0.00 C ATOM 620 CZ TYR A 39 175.269 8.107 -8.519 1.00 0.00 C ATOM 621 OH TYR A 39 175.737 7.721 -7.284 1.00 0.00 O ATOM 0 H TYR A 39 173.820 10.912 -14.250 1.00 0.00 H new ATOM 0 HA TYR A 39 175.857 9.433 -13.010 1.00 0.00 H new ATOM 0 HB2 TYR A 39 173.403 10.315 -12.300 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.989 8.651 -12.662 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.955 10.846 -10.444 1.00 0.00 H new ATOM 0 HD2 TYR A 39 173.813 6.822 -11.264 1.00 0.00 H new ATOM 0 HE1 TYR A 39 175.790 10.159 -8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 39 174.648 6.136 -9.058 1.00 0.00 H new ATOM 0 HH TYR A 39 175.600 6.758 -7.169 1.00 0.00 H new ATOM 631 N CYS A 40 173.898 7.702 -15.040 1.00 0.00 N ATOM 632 CA CYS A 40 173.794 6.441 -15.774 1.00 0.00 C ATOM 633 C CYS A 40 175.007 6.236 -16.683 1.00 0.00 C ATOM 634 O CYS A 40 175.423 5.103 -16.926 1.00 0.00 O ATOM 635 CB CYS A 40 172.506 6.405 -16.604 1.00 0.00 C ATOM 636 SG CYS A 40 172.132 4.785 -17.315 1.00 0.00 S ATOM 0 H CYS A 40 173.169 8.380 -15.261 1.00 0.00 H new ATOM 0 HA CYS A 40 173.767 5.631 -15.045 1.00 0.00 H new ATOM 0 HB2 CYS A 40 171.672 6.715 -15.975 1.00 0.00 H new ATOM 0 HB3 CYS A 40 172.585 7.134 -17.410 1.00 0.00 H new ATOM 0 HG CYS A 40 171.027 4.855 -17.996 1.00 0.00 H new ATOM 642 N ASP A 41 175.576 7.338 -17.174 1.00 0.00 N ATOM 643 CA ASP A 41 176.746 7.274 -18.045 1.00 0.00 C ATOM 644 C ASP A 41 178.004 6.936 -17.244 1.00 0.00 C ATOM 645 O ASP A 41 178.896 6.247 -17.739 1.00 0.00 O ATOM 646 CB ASP A 41 176.938 8.600 -18.786 1.00 0.00 C ATOM 647 CG ASP A 41 175.906 8.811 -19.878 1.00 0.00 C ATOM 648 OD1 ASP A 41 174.733 9.079 -19.543 1.00 0.00 O ATOM 649 OD2 ASP A 41 176.271 8.707 -21.068 1.00 0.00 O ATOM 0 H ASP A 41 175.245 8.283 -16.983 1.00 0.00 H new ATOM 0 HA ASP A 41 176.578 6.483 -18.776 1.00 0.00 H new ATOM 0 HB2 ASP A 41 176.881 9.422 -18.073 1.00 0.00 H new ATOM 0 HB3 ASP A 41 177.936 8.627 -19.224 1.00 0.00 H new ATOM 654 N ILE A 42 178.067 7.426 -16.005 1.00 0.00 N ATOM 655 CA ILE A 42 179.214 7.175 -15.134 1.00 0.00 C ATOM 656 C ILE A 42 179.091 5.825 -14.417 1.00 0.00 C ATOM 657 O ILE A 42 180.095 5.152 -14.175 1.00 0.00 O ATOM 658 CB ILE A 42 179.381 8.290 -14.077 1.00 0.00 C ATOM 659 CG1 ILE A 42 179.388 9.672 -14.740 1.00 0.00 C ATOM 660 CG2 ILE A 42 180.661 8.081 -13.279 1.00 0.00 C ATOM 661 CD1 ILE A 42 178.769 10.756 -13.885 1.00 0.00 C ATOM 0 H ILE A 42 177.336 7.999 -15.583 1.00 0.00 H new ATOM 0 HA ILE A 42 180.092 7.160 -15.779 1.00 0.00 H new ATOM 0 HB ILE A 42 178.532 8.241 -13.395 1.00 0.00 H new ATOM 0 HG12 ILE A 42 180.416 9.948 -14.975 1.00 0.00 H new ATOM 0 HG13 ILE A 42 178.850 9.615 -15.686 1.00 0.00 H new ATOM 0 HG21 ILE A 42 180.762 8.875 -12.539 1.00 0.00 H new ATOM 0 HG22 ILE A 42 180.621 7.117 -12.773 1.00 0.00 H new ATOM 0 HG23 ILE A 42 181.517 8.101 -13.953 1.00 0.00 H new ATOM 0 HD11 ILE A 42 178.809 11.706 -14.417 1.00 0.00 H new ATOM 0 HD12 ILE A 42 177.731 10.503 -13.672 1.00 0.00 H new ATOM 0 HD13 ILE A 42 179.321 10.841 -12.949 1.00 0.00 H new ATOM 673 N ILE A 43 177.861 5.438 -14.066 1.00 0.00 N ATOM 674 CA ILE A 43 177.621 4.175 -13.365 1.00 0.00 C ATOM 675 C ILE A 43 177.088 3.096 -14.310 1.00 0.00 C ATOM 676 O ILE A 43 176.068 3.290 -14.971 1.00 0.00 O ATOM 677 CB ILE A 43 176.616 4.359 -12.205 1.00 0.00 C ATOM 678 CG1 ILE A 43 177.018 5.546 -11.321 1.00 0.00 C ATOM 679 CG2 ILE A 43 176.516 3.083 -11.379 1.00 0.00 C ATOM 680 CD1 ILE A 43 178.364 5.379 -10.649 1.00 0.00 C ATOM 0 H ILE A 43 177.018 5.980 -14.256 1.00 0.00 H new ATOM 0 HA ILE A 43 178.584 3.856 -12.966 1.00 0.00 H new ATOM 0 HB ILE A 43 175.635 4.571 -12.631 1.00 0.00 H new ATOM 0 HG12 ILE A 43 177.036 6.450 -11.929 1.00 0.00 H new ATOM 0 HG13 ILE A 43 176.256 5.692 -10.556 1.00 0.00 H new ATOM 0 HG21 ILE A 43 175.804 3.230 -10.567 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.178 2.264 -12.014 1.00 0.00 H new ATOM 0 HG23 ILE A 43 177.494 2.840 -10.964 1.00 0.00 H new ATOM 0 HD11 ILE A 43 178.579 6.258 -10.041 1.00 0.00 H new ATOM 0 HD12 ILE A 43 178.346 4.494 -10.013 1.00 0.00 H new ATOM 0 HD13 ILE A 43 179.138 5.265 -11.408 1.00 0.00 H new ATOM 692 N LYS A 44 177.778 1.953 -14.357 1.00 0.00 N ATOM 693 CA LYS A 44 177.365 0.839 -15.214 1.00 0.00 C ATOM 694 C LYS A 44 176.364 -0.075 -14.499 1.00 0.00 C ATOM 695 O LYS A 44 175.476 -0.646 -15.134 1.00 0.00 O ATOM 696 CB LYS A 44 178.581 0.023 -15.673 1.00 0.00 C ATOM 697 CG LYS A 44 179.366 -0.617 -14.535 1.00 0.00 C ATOM 698 CD LYS A 44 180.252 -1.750 -15.034 1.00 0.00 C ATOM 699 CE LYS A 44 181.590 -1.233 -15.542 1.00 0.00 C ATOM 700 NZ LYS A 44 182.500 -2.341 -15.949 1.00 0.00 N ATOM 0 H LYS A 44 178.623 1.775 -13.813 1.00 0.00 H new ATOM 0 HA LYS A 44 176.875 1.267 -16.089 1.00 0.00 H new ATOM 0 HB2 LYS A 44 178.244 -0.760 -16.353 1.00 0.00 H new ATOM 0 HB3 LYS A 44 179.248 0.673 -16.240 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.981 0.139 -14.046 1.00 0.00 H new ATOM 0 HG3 LYS A 44 178.674 -0.999 -13.784 1.00 0.00 H new ATOM 0 HD2 LYS A 44 180.420 -2.464 -14.227 1.00 0.00 H new ATOM 0 HD3 LYS A 44 179.741 -2.287 -15.834 1.00 0.00 H new ATOM 0 HE2 LYS A 44 181.424 -0.570 -16.391 1.00 0.00 H new ATOM 0 HE3 LYS A 44 182.068 -0.639 -14.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 183.400 -1.945 -16.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 182.680 -2.960 -15.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 182.056 -2.893 -16.710 1.00 0.00 H new ATOM 714 N HIS A 45 176.514 -0.212 -13.179 1.00 0.00 N ATOM 715 CA HIS A 45 175.624 -1.059 -12.386 1.00 0.00 C ATOM 716 C HIS A 45 175.003 -0.269 -11.229 1.00 0.00 C ATOM 717 O HIS A 45 175.404 -0.424 -10.073 1.00 0.00 O ATOM 718 CB HIS A 45 176.390 -2.273 -11.846 1.00 0.00 C ATOM 719 CG HIS A 45 176.076 -3.559 -12.553 1.00 0.00 C ATOM 720 ND1 HIS A 45 176.571 -4.781 -12.143 1.00 0.00 N ATOM 721 CD2 HIS A 45 175.314 -3.813 -13.645 1.00 0.00 C ATOM 722 CE1 HIS A 45 176.128 -5.728 -12.952 1.00 0.00 C ATOM 723 NE2 HIS A 45 175.363 -5.167 -13.869 1.00 0.00 N ATOM 0 H HIS A 45 177.243 0.253 -12.639 1.00 0.00 H new ATOM 0 HA HIS A 45 174.819 -1.406 -13.033 1.00 0.00 H new ATOM 0 HB2 HIS A 45 177.460 -2.079 -11.925 1.00 0.00 H new ATOM 0 HB3 HIS A 45 176.165 -2.389 -10.786 1.00 0.00 H new ATOM 0 HD2 HIS A 45 174.770 -3.086 -14.230 1.00 0.00 H new ATOM 0 HE1 HIS A 45 176.354 -6.781 -12.875 1.00 0.00 H new ATOM 0 HE2 HIS A 45 174.885 -5.660 -14.623 1.00 0.00 H new ATOM 732 N PRO A 46 174.014 0.597 -11.530 1.00 0.00 N ATOM 733 CA PRO A 46 173.335 1.419 -10.515 1.00 0.00 C ATOM 734 C PRO A 46 172.741 0.584 -9.381 1.00 0.00 C ATOM 735 O PRO A 46 172.012 -0.380 -9.623 1.00 0.00 O ATOM 736 CB PRO A 46 172.221 2.116 -11.303 1.00 0.00 C ATOM 737 CG PRO A 46 172.692 2.113 -12.716 1.00 0.00 C ATOM 738 CD PRO A 46 173.482 0.846 -12.883 1.00 0.00 C ATOM 0 HA PRO A 46 174.027 2.106 -10.027 1.00 0.00 H new ATOM 0 HB2 PRO A 46 171.274 1.586 -11.201 1.00 0.00 H new ATOM 0 HB3 PRO A 46 172.058 3.132 -10.943 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.851 2.143 -13.408 1.00 0.00 H new ATOM 0 HG3 PRO A 46 173.308 2.988 -12.924 1.00 0.00 H new ATOM 0 HD2 PRO A 46 172.855 0.023 -13.226 1.00 0.00 H new ATOM 0 HD3 PRO A 46 174.282 0.964 -13.614 1.00 0.00 H new ATOM 746 N MET A 47 173.057 0.965 -8.142 1.00 0.00 N ATOM 747 CA MET A 47 172.557 0.256 -6.966 1.00 0.00 C ATOM 748 C MET A 47 172.456 1.193 -5.762 1.00 0.00 C ATOM 749 O MET A 47 173.317 2.049 -5.556 1.00 0.00 O ATOM 750 CB MET A 47 173.469 -0.929 -6.629 1.00 0.00 C ATOM 751 CG MET A 47 172.713 -2.197 -6.258 1.00 0.00 C ATOM 752 SD MET A 47 172.567 -3.346 -7.640 1.00 0.00 S ATOM 753 CE MET A 47 171.365 -4.505 -6.996 1.00 0.00 C ATOM 0 H MET A 47 173.657 1.761 -7.928 1.00 0.00 H new ATOM 0 HA MET A 47 171.559 -0.116 -7.198 1.00 0.00 H new ATOM 0 HB2 MET A 47 174.111 -1.137 -7.485 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.121 -0.650 -5.801 1.00 0.00 H new ATOM 0 HG2 MET A 47 173.224 -2.691 -5.432 1.00 0.00 H new ATOM 0 HG3 MET A 47 171.717 -1.931 -5.904 1.00 0.00 H new ATOM 0 HE1 MET A 47 171.532 -5.487 -7.439 1.00 0.00 H new ATOM 0 HE2 MET A 47 171.469 -4.573 -5.913 1.00 0.00 H new ATOM 0 HE3 MET A 47 170.360 -4.162 -7.243 1.00 0.00 H new ATOM 763 N ASP A 48 171.397 1.021 -4.970 1.00 0.00 N ATOM 764 CA ASP A 48 171.176 1.845 -3.782 1.00 0.00 C ATOM 765 C ASP A 48 170.759 0.982 -2.594 1.00 0.00 C ATOM 766 O ASP A 48 170.336 -0.162 -2.769 1.00 0.00 O ATOM 767 CB ASP A 48 170.102 2.900 -4.062 1.00 0.00 C ATOM 768 CG ASP A 48 170.694 4.231 -4.481 1.00 0.00 C ATOM 769 OD1 ASP A 48 170.966 4.405 -5.687 1.00 0.00 O ATOM 770 OD2 ASP A 48 170.881 5.100 -3.604 1.00 0.00 O ATOM 0 H ASP A 48 170.677 0.316 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 48 172.113 2.345 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.437 2.538 -4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 48 169.494 3.041 -3.169 1.00 0.00 H new ATOM 775 N MET A 49 170.871 1.537 -1.384 1.00 0.00 N ATOM 776 CA MET A 49 170.494 0.810 -0.168 1.00 0.00 C ATOM 777 C MET A 49 169.065 0.276 -0.278 1.00 0.00 C ATOM 778 O MET A 49 168.781 -0.846 0.140 1.00 0.00 O ATOM 779 CB MET A 49 170.619 1.711 1.065 1.00 0.00 C ATOM 780 CG MET A 49 171.615 1.198 2.094 1.00 0.00 C ATOM 781 SD MET A 49 173.046 2.279 2.281 1.00 0.00 S ATOM 782 CE MET A 49 172.514 3.315 3.641 1.00 0.00 C ATOM 0 H MET A 49 171.218 2.482 -1.220 1.00 0.00 H new ATOM 0 HA MET A 49 171.177 -0.032 -0.057 1.00 0.00 H new ATOM 0 HB2 MET A 49 170.920 2.709 0.747 1.00 0.00 H new ATOM 0 HB3 MET A 49 169.640 1.808 1.535 1.00 0.00 H new ATOM 0 HG2 MET A 49 171.115 1.095 3.057 1.00 0.00 H new ATOM 0 HG3 MET A 49 171.952 0.203 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 49 173.349 3.928 3.980 1.00 0.00 H new ATOM 0 HE2 MET A 49 171.701 3.961 3.310 1.00 0.00 H new ATOM 0 HE3 MET A 49 172.168 2.688 4.462 1.00 0.00 H new ATOM 792 N SER A 50 168.176 1.087 -0.853 1.00 0.00 N ATOM 793 CA SER A 50 166.779 0.699 -1.034 1.00 0.00 C ATOM 794 C SER A 50 166.664 -0.496 -1.983 1.00 0.00 C ATOM 795 O SER A 50 165.832 -1.380 -1.780 1.00 0.00 O ATOM 796 CB SER A 50 165.967 1.881 -1.574 1.00 0.00 C ATOM 797 OG SER A 50 164.677 1.470 -1.997 1.00 0.00 O ATOM 0 H SER A 50 168.401 2.019 -1.202 1.00 0.00 H new ATOM 0 HA SER A 50 166.378 0.406 -0.064 1.00 0.00 H new ATOM 0 HB2 SER A 50 165.873 2.644 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.498 2.338 -2.409 1.00 0.00 H new ATOM 0 HG SER A 50 164.181 2.245 -2.335 1.00 0.00 H new ATOM 803 N THR A 51 167.508 -0.514 -3.018 1.00 0.00 N ATOM 804 CA THR A 51 167.506 -1.598 -3.999 1.00 0.00 C ATOM 805 C THR A 51 168.127 -2.872 -3.421 1.00 0.00 C ATOM 806 O THR A 51 167.678 -3.981 -3.717 1.00 0.00 O ATOM 807 CB THR A 51 168.262 -1.175 -5.265 1.00 0.00 C ATOM 808 OG1 THR A 51 167.810 0.089 -5.725 1.00 0.00 O ATOM 809 CG2 THR A 51 168.118 -2.159 -6.407 1.00 0.00 C ATOM 0 H THR A 51 168.202 0.212 -3.197 1.00 0.00 H new ATOM 0 HA THR A 51 166.469 -1.811 -4.256 1.00 0.00 H new ATOM 0 HB THR A 51 169.311 -1.135 -4.972 1.00 0.00 H new ATOM 0 HG1 THR A 51 168.306 0.340 -6.532 1.00 0.00 H new ATOM 0 HG21 THR A 51 168.677 -1.799 -7.270 1.00 0.00 H new ATOM 0 HG22 THR A 51 168.508 -3.130 -6.102 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.065 -2.258 -6.672 1.00 0.00 H new ATOM 817 N ILE A 52 169.159 -2.710 -2.595 1.00 0.00 N ATOM 818 CA ILE A 52 169.830 -3.852 -1.980 1.00 0.00 C ATOM 819 C ILE A 52 168.944 -4.493 -0.910 1.00 0.00 C ATOM 820 O ILE A 52 168.828 -5.716 -0.843 1.00 0.00 O ATOM 821 CB ILE A 52 171.186 -3.447 -1.354 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.062 -2.726 -2.385 1.00 0.00 C ATOM 823 CG2 ILE A 52 171.913 -4.669 -0.808 1.00 0.00 C ATOM 824 CD1 ILE A 52 172.968 -1.674 -1.783 1.00 0.00 C ATOM 0 H ILE A 52 169.547 -1.803 -2.337 1.00 0.00 H new ATOM 0 HA ILE A 52 170.018 -4.577 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 52 170.988 -2.764 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 52 172.672 -3.462 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 52 171.420 -2.257 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 52 172.864 -4.362 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.300 -5.145 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.096 -5.375 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 52 173.557 -1.207 -2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 52 172.364 -0.916 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 52 173.636 -2.140 -1.059 1.00 0.00 H new ATOM 836 N LYS A 53 168.320 -3.662 -0.074 1.00 0.00 N ATOM 837 CA LYS A 53 167.449 -4.158 0.991 1.00 0.00 C ATOM 838 C LYS A 53 166.223 -4.883 0.430 1.00 0.00 C ATOM 839 O LYS A 53 165.788 -5.887 0.995 1.00 0.00 O ATOM 840 CB LYS A 53 167.007 -3.012 1.905 1.00 0.00 C ATOM 841 CG LYS A 53 167.787 -2.943 3.208 1.00 0.00 C ATOM 842 CD LYS A 53 167.430 -1.704 4.013 1.00 0.00 C ATOM 843 CE LYS A 53 166.368 -2.006 5.062 1.00 0.00 C ATOM 844 NZ LYS A 53 165.001 -2.099 4.470 1.00 0.00 N ATOM 0 H LYS A 53 168.401 -2.646 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 53 168.027 -4.876 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.120 -2.068 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 53 165.947 -3.125 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 53 167.583 -3.834 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.856 -2.942 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 53 168.324 -1.316 4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 53 167.069 -0.925 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 53 166.610 -2.944 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 53 166.380 -1.226 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 164.289 -1.983 5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 164.879 -1.351 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 164.880 -3.029 4.019 1.00 0.00 H new ATOM 858 N SER A 54 165.668 -4.378 -0.677 1.00 0.00 N ATOM 859 CA SER A 54 164.491 -4.996 -1.290 1.00 0.00 C ATOM 860 C SER A 54 164.763 -6.455 -1.657 1.00 0.00 C ATOM 861 O SER A 54 163.894 -7.312 -1.489 1.00 0.00 O ATOM 862 CB SER A 54 164.043 -4.215 -2.530 1.00 0.00 C ATOM 863 OG SER A 54 165.142 -3.620 -3.196 1.00 0.00 O ATOM 0 H SER A 54 166.013 -3.550 -1.162 1.00 0.00 H new ATOM 0 HA SER A 54 163.687 -4.970 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 54 163.522 -4.885 -3.214 1.00 0.00 H new ATOM 0 HB3 SER A 54 163.332 -3.442 -2.237 1.00 0.00 H new ATOM 0 HG SER A 54 165.913 -4.224 -3.159 1.00 0.00 H new ATOM 869 N LYS A 55 165.975 -6.738 -2.145 1.00 0.00 N ATOM 870 CA LYS A 55 166.347 -8.105 -2.513 1.00 0.00 C ATOM 871 C LYS A 55 166.257 -9.020 -1.293 1.00 0.00 C ATOM 872 O LYS A 55 165.657 -10.092 -1.353 1.00 0.00 O ATOM 873 CB LYS A 55 167.765 -8.141 -3.096 1.00 0.00 C ATOM 874 CG LYS A 55 167.798 -8.274 -4.612 1.00 0.00 C ATOM 875 CD LYS A 55 169.023 -9.048 -5.082 1.00 0.00 C ATOM 876 CE LYS A 55 170.071 -8.126 -5.694 1.00 0.00 C ATOM 877 NZ LYS A 55 169.661 -7.623 -7.037 1.00 0.00 N ATOM 0 H LYS A 55 166.708 -6.045 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 55 165.652 -8.459 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.290 -7.230 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.309 -8.976 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 55 166.895 -8.780 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 55 167.798 -7.282 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 55 169.459 -9.586 -4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 55 168.722 -9.795 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 55 170.243 -7.281 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 55 171.017 -8.661 -5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 170.508 -7.390 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 169.114 -8.357 -7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 169.075 -6.771 -6.925 1.00 0.00 H new ATOM 891 N LEU A 56 166.842 -8.574 -0.182 1.00 0.00 N ATOM 892 CA LEU A 56 166.816 -9.337 1.064 1.00 0.00 C ATOM 893 C LEU A 56 165.376 -9.501 1.562 1.00 0.00 C ATOM 894 O LEU A 56 165.022 -10.537 2.128 1.00 0.00 O ATOM 895 CB LEU A 56 167.678 -8.633 2.123 1.00 0.00 C ATOM 896 CG LEU A 56 167.444 -9.063 3.578 1.00 0.00 C ATOM 897 CD1 LEU A 56 167.794 -10.532 3.773 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.259 -8.191 4.524 1.00 0.00 C ATOM 0 H LEU A 56 167.341 -7.686 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 56 167.226 -10.330 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 56 168.727 -8.802 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.503 -7.560 2.050 1.00 0.00 H new ATOM 0 HG LEU A 56 166.386 -8.934 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 56 167.620 -10.813 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.170 -11.144 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 56 168.843 -10.692 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.083 -8.507 5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.319 -8.291 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 56 167.959 -7.150 4.408 1.00 0.00 H new ATOM 910 N GLU A 57 164.550 -8.474 1.339 1.00 0.00 N ATOM 911 CA GLU A 57 163.147 -8.502 1.757 1.00 0.00 C ATOM 912 C GLU A 57 162.375 -9.607 1.035 1.00 0.00 C ATOM 913 O GLU A 57 161.522 -10.266 1.630 1.00 0.00 O ATOM 914 CB GLU A 57 162.481 -7.147 1.495 1.00 0.00 C ATOM 915 CG GLU A 57 163.045 -6.018 2.343 1.00 0.00 C ATOM 916 CD GLU A 57 161.965 -5.140 2.946 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.233 -5.624 3.835 1.00 0.00 O ATOM 918 OE2 GLU A 57 161.855 -3.967 2.531 1.00 0.00 O ATOM 0 H GLU A 57 164.830 -7.612 0.871 1.00 0.00 H new ATOM 0 HA GLU A 57 163.125 -8.710 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 57 162.597 -6.892 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.411 -7.234 1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 57 163.653 -6.440 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 57 163.706 -5.405 1.730 1.00 0.00 H new ATOM 925 N ALA A 58 162.677 -9.806 -0.250 1.00 0.00 N ATOM 926 CA ALA A 58 162.005 -10.834 -1.048 1.00 0.00 C ATOM 927 C ALA A 58 162.723 -12.189 -0.975 1.00 0.00 C ATOM 928 O ALA A 58 162.465 -13.074 -1.793 1.00 0.00 O ATOM 929 CB ALA A 58 161.886 -10.381 -2.498 1.00 0.00 C ATOM 0 H ALA A 58 163.380 -9.271 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 58 161.009 -10.971 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 58 161.385 -11.154 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.307 -9.459 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 58 162.881 -10.206 -2.907 1.00 0.00 H new ATOM 935 N ARG A 59 163.626 -12.350 0.000 1.00 0.00 N ATOM 936 CA ARG A 59 164.378 -13.596 0.169 1.00 0.00 C ATOM 937 C ARG A 59 165.204 -13.928 -1.080 1.00 0.00 C ATOM 938 O ARG A 59 165.500 -15.095 -1.346 1.00 0.00 O ATOM 939 CB ARG A 59 163.434 -14.759 0.510 1.00 0.00 C ATOM 940 CG ARG A 59 164.117 -15.911 1.239 1.00 0.00 C ATOM 941 CD ARG A 59 163.528 -16.135 2.626 1.00 0.00 C ATOM 942 NE ARG A 59 164.132 -17.285 3.302 1.00 0.00 N ATOM 943 CZ ARG A 59 163.604 -17.890 4.371 1.00 0.00 C ATOM 944 NH1 ARG A 59 162.458 -17.460 4.896 1.00 0.00 N ATOM 945 NH2 ARG A 59 164.224 -18.930 4.917 1.00 0.00 N ATOM 0 H ARG A 59 163.853 -11.629 0.685 1.00 0.00 H new ATOM 0 HA ARG A 59 165.069 -13.452 0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 59 162.618 -14.383 1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 59 162.990 -15.136 -0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.017 -16.823 0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 59 165.183 -15.704 1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 59 163.676 -15.241 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 59 162.452 -16.288 2.542 1.00 0.00 H new ATOM 0 HE ARG A 59 165.011 -17.648 2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 59 161.975 -16.662 4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 59 162.063 -17.928 5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 59 165.102 -19.266 4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 59 163.822 -19.393 5.733 1.00 0.00 H new ATOM 959 N GLU A 60 165.588 -12.896 -1.835 1.00 0.00 N ATOM 960 CA GLU A 60 166.395 -13.083 -3.040 1.00 0.00 C ATOM 961 C GLU A 60 167.855 -13.355 -2.673 1.00 0.00 C ATOM 962 O GLU A 60 168.553 -14.091 -3.374 1.00 0.00 O ATOM 963 CB GLU A 60 166.308 -11.852 -3.949 1.00 0.00 C ATOM 964 CG GLU A 60 165.142 -11.885 -4.928 1.00 0.00 C ATOM 965 CD GLU A 60 165.570 -11.596 -6.355 1.00 0.00 C ATOM 966 OE1 GLU A 60 165.894 -10.427 -6.653 1.00 0.00 O ATOM 967 OE2 GLU A 60 165.582 -12.540 -7.173 1.00 0.00 O ATOM 0 H GLU A 60 165.353 -11.924 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 60 166.000 -13.944 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 60 166.222 -10.960 -3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 60 167.238 -11.761 -4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 60 164.665 -12.864 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 60 164.394 -11.153 -4.622 1.00 0.00 H new ATOM 974 N TYR A 61 168.307 -12.760 -1.566 1.00 0.00 N ATOM 975 CA TYR A 61 169.679 -12.939 -1.097 1.00 0.00 C ATOM 976 C TYR A 61 169.887 -14.348 -0.550 1.00 0.00 C ATOM 977 O TYR A 61 169.441 -14.667 0.553 1.00 0.00 O ATOM 978 CB TYR A 61 170.012 -11.903 -0.018 1.00 0.00 C ATOM 979 CG TYR A 61 170.653 -10.647 -0.566 1.00 0.00 C ATOM 980 CD1 TYR A 61 171.840 -10.709 -1.288 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.072 -9.401 -0.365 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.428 -9.567 -1.792 1.00 0.00 C ATOM 983 CE2 TYR A 61 170.657 -8.256 -0.867 1.00 0.00 C ATOM 984 CZ TYR A 61 171.833 -8.344 -1.579 1.00 0.00 C ATOM 985 OH TYR A 61 172.420 -7.205 -2.078 1.00 0.00 O ATOM 0 H TYR A 61 167.740 -12.149 -0.978 1.00 0.00 H new ATOM 0 HA TYR A 61 170.349 -12.796 -1.945 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.098 -11.634 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 61 170.682 -12.354 0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.309 -11.667 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.150 -9.327 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.350 -9.632 -2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.194 -7.294 -0.702 1.00 0.00 H new ATOM 0 HH TYR A 61 172.808 -7.395 -2.957 1.00 0.00 H new ATOM 995 N ARG A 62 170.574 -15.185 -1.329 1.00 0.00 N ATOM 996 CA ARG A 62 170.851 -16.561 -0.922 1.00 0.00 C ATOM 997 C ARG A 62 171.715 -16.595 0.340 1.00 0.00 C ATOM 998 O ARG A 62 171.603 -17.518 1.149 1.00 0.00 O ATOM 999 CB ARG A 62 171.544 -17.325 -2.056 1.00 0.00 C ATOM 1000 CG ARG A 62 170.575 -17.932 -3.060 1.00 0.00 C ATOM 1001 CD ARG A 62 171.202 -18.071 -4.441 1.00 0.00 C ATOM 1002 NE ARG A 62 170.308 -17.604 -5.502 1.00 0.00 N ATOM 1003 CZ ARG A 62 170.434 -17.941 -6.789 1.00 0.00 C ATOM 1004 NH1 ARG A 62 171.420 -18.742 -7.186 1.00 0.00 N ATOM 1005 NH2 ARG A 62 169.572 -17.473 -7.685 1.00 0.00 N ATOM 0 H ARG A 62 170.948 -14.933 -2.244 1.00 0.00 H new ATOM 0 HA ARG A 62 169.900 -17.045 -0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 62 172.220 -16.649 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 62 172.156 -18.119 -1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 62 170.253 -18.912 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 62 169.684 -17.308 -3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 62 172.132 -17.503 -4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 62 171.459 -19.115 -4.618 1.00 0.00 H new ATOM 0 HE ARG A 62 169.541 -16.983 -5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 62 172.088 -19.104 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 62 171.508 -18.993 -8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 62 168.814 -16.857 -7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 62 169.668 -17.730 -8.667 1.00 0.00 H new ATOM 1019 N ASP A 63 172.571 -15.583 0.507 1.00 0.00 N ATOM 1020 CA ASP A 63 173.446 -15.501 1.677 1.00 0.00 C ATOM 1021 C ASP A 63 174.066 -14.110 1.811 1.00 0.00 C ATOM 1022 O ASP A 63 173.927 -13.269 0.920 1.00 0.00 O ATOM 1023 CB ASP A 63 174.551 -16.562 1.596 1.00 0.00 C ATOM 1024 CG ASP A 63 174.689 -17.346 2.886 1.00 0.00 C ATOM 1025 OD1 ASP A 63 175.366 -16.851 3.812 1.00 0.00 O ATOM 1026 OD2 ASP A 63 174.115 -18.451 2.973 1.00 0.00 O ATOM 0 H ASP A 63 172.676 -14.812 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 63 172.836 -15.688 2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 63 174.334 -17.248 0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 63 175.500 -16.079 1.364 1.00 0.00 H new ATOM 1031 N ALA A 64 174.758 -13.880 2.931 1.00 0.00 N ATOM 1032 CA ALA A 64 175.412 -12.595 3.190 1.00 0.00 C ATOM 1033 C ALA A 64 176.589 -12.360 2.239 1.00 0.00 C ATOM 1034 O ALA A 64 177.046 -11.227 2.079 1.00 0.00 O ATOM 1035 CB ALA A 64 175.881 -12.518 4.636 1.00 0.00 C ATOM 0 H ALA A 64 174.879 -14.569 3.674 1.00 0.00 H new ATOM 0 HA ALA A 64 174.677 -11.810 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 64 176.365 -11.557 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 64 175.024 -12.620 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 64 176.590 -13.322 4.832 1.00 0.00 H new ATOM 1041 N GLN A 65 177.072 -13.432 1.605 1.00 0.00 N ATOM 1042 CA GLN A 65 178.187 -13.333 0.670 1.00 0.00 C ATOM 1043 C GLN A 65 177.809 -12.456 -0.523 1.00 0.00 C ATOM 1044 O GLN A 65 178.592 -11.608 -0.952 1.00 0.00 O ATOM 1045 CB GLN A 65 178.603 -14.730 0.194 1.00 0.00 C ATOM 1046 CG GLN A 65 179.903 -14.750 -0.594 1.00 0.00 C ATOM 1047 CD GLN A 65 181.122 -14.938 0.290 1.00 0.00 C ATOM 1048 OE1 GLN A 65 181.682 -16.031 0.370 1.00 0.00 O ATOM 1049 NE2 GLN A 65 181.540 -13.871 0.961 1.00 0.00 N ATOM 0 H GLN A 65 176.706 -14.376 1.725 1.00 0.00 H new ATOM 0 HA GLN A 65 179.031 -12.871 1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 65 178.705 -15.383 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 65 177.807 -15.144 -0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 65 179.865 -15.554 -1.329 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.002 -13.816 -1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 65 181.047 -12.983 0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 65 182.354 -13.939 1.571 1.00 0.00 H new ATOM 1058 N GLU A 66 176.596 -12.653 -1.041 1.00 0.00 N ATOM 1059 CA GLU A 66 176.107 -11.866 -2.171 1.00 0.00 C ATOM 1060 C GLU A 66 175.815 -10.425 -1.745 1.00 0.00 C ATOM 1061 O GLU A 66 176.017 -9.488 -2.519 1.00 0.00 O ATOM 1062 CB GLU A 66 174.843 -12.504 -2.759 1.00 0.00 C ATOM 1063 CG GLU A 66 174.869 -12.630 -4.275 1.00 0.00 C ATOM 1064 CD GLU A 66 174.348 -13.970 -4.763 1.00 0.00 C ATOM 1065 OE1 GLU A 66 173.159 -14.271 -4.521 1.00 0.00 O ATOM 1066 OE2 GLU A 66 175.130 -14.718 -5.386 1.00 0.00 O ATOM 0 H GLU A 66 175.936 -13.350 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 66 176.885 -11.851 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 66 174.710 -13.494 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 66 173.977 -11.909 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 66 174.269 -11.831 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 66 175.891 -12.492 -4.629 1.00 0.00 H new ATOM 1073 N PHE A 67 175.343 -10.256 -0.506 1.00 0.00 N ATOM 1074 CA PHE A 67 175.026 -8.932 0.028 1.00 0.00 C ATOM 1075 C PHE A 67 176.274 -8.057 0.102 1.00 0.00 C ATOM 1076 O PHE A 67 176.289 -6.943 -0.422 1.00 0.00 O ATOM 1077 CB PHE A 67 174.392 -9.053 1.419 1.00 0.00 C ATOM 1078 CG PHE A 67 173.429 -7.943 1.744 1.00 0.00 C ATOM 1079 CD1 PHE A 67 173.876 -6.639 1.899 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.077 -8.204 1.893 1.00 0.00 C ATOM 1081 CE1 PHE A 67 172.992 -5.620 2.195 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.188 -7.188 2.188 1.00 0.00 C ATOM 1083 CZ PHE A 67 171.646 -5.895 2.339 1.00 0.00 C ATOM 0 H PHE A 67 175.173 -11.022 0.145 1.00 0.00 H new ATOM 0 HA PHE A 67 174.314 -8.461 -0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 67 173.870 -10.007 1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.183 -9.067 2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 67 174.927 -6.418 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 67 171.713 -9.214 1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 67 173.353 -4.609 2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.136 -7.406 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 67 170.953 -5.099 2.569 1.00 0.00 H new ATOM 1093 N GLY A 68 177.318 -8.572 0.755 1.00 0.00 N ATOM 1094 CA GLY A 68 178.561 -7.828 0.885 1.00 0.00 C ATOM 1095 C GLY A 68 179.150 -7.432 -0.457 1.00 0.00 C ATOM 1096 O GLY A 68 179.768 -6.372 -0.580 1.00 0.00 O ATOM 0 H GLY A 68 177.323 -9.492 1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.382 -6.931 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.286 -8.432 1.431 1.00 0.00 H new ATOM 1100 N ALA A 69 178.954 -8.283 -1.468 1.00 0.00 N ATOM 1101 CA ALA A 69 179.467 -8.016 -2.811 1.00 0.00 C ATOM 1102 C ALA A 69 178.790 -6.792 -3.431 1.00 0.00 C ATOM 1103 O ALA A 69 179.458 -5.934 -4.012 1.00 0.00 O ATOM 1104 CB ALA A 69 179.274 -9.236 -3.705 1.00 0.00 C ATOM 0 H ALA A 69 178.444 -9.162 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 69 180.533 -7.804 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.661 -9.022 -4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 69 179.811 -10.085 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.212 -9.474 -3.771 1.00 0.00 H new ATOM 1110 N ASP A 70 177.463 -6.713 -3.299 1.00 0.00 N ATOM 1111 CA ASP A 70 176.698 -5.590 -3.846 1.00 0.00 C ATOM 1112 C ASP A 70 177.034 -4.284 -3.125 1.00 0.00 C ATOM 1113 O ASP A 70 176.987 -3.209 -3.726 1.00 0.00 O ATOM 1114 CB ASP A 70 175.189 -5.866 -3.763 1.00 0.00 C ATOM 1115 CG ASP A 70 174.706 -6.852 -4.814 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.424 -7.069 -5.814 1.00 0.00 O ATOM 1117 OD2 ASP A 70 173.601 -7.406 -4.639 1.00 0.00 O ATOM 0 H ASP A 70 176.897 -7.413 -2.819 1.00 0.00 H new ATOM 0 HA ASP A 70 176.978 -5.482 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 70 174.950 -6.253 -2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.647 -4.927 -3.877 1.00 0.00 H new ATOM 1122 N VAL A 71 177.383 -4.377 -1.841 1.00 0.00 N ATOM 1123 CA VAL A 71 177.735 -3.193 -1.062 1.00 0.00 C ATOM 1124 C VAL A 71 179.037 -2.584 -1.579 1.00 0.00 C ATOM 1125 O VAL A 71 179.123 -1.375 -1.795 1.00 0.00 O ATOM 1126 CB VAL A 71 177.884 -3.505 0.443 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.147 -2.226 1.226 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.647 -4.218 0.978 1.00 0.00 C ATOM 0 H VAL A 71 177.429 -5.254 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 71 176.917 -2.483 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 71 178.737 -4.172 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.250 -2.462 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.066 -1.762 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.314 -1.537 1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 71 176.778 -4.426 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 71 175.772 -3.583 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.506 -5.155 0.439 1.00 0.00 H new ATOM 1138 N ARG A 72 180.044 -3.435 -1.783 1.00 0.00 N ATOM 1139 CA ARG A 72 181.340 -2.986 -2.286 1.00 0.00 C ATOM 1140 C ARG A 72 181.203 -2.385 -3.685 1.00 0.00 C ATOM 1141 O ARG A 72 181.817 -1.363 -3.990 1.00 0.00 O ATOM 1142 CB ARG A 72 182.337 -4.149 -2.313 1.00 0.00 C ATOM 1143 CG ARG A 72 183.144 -4.294 -1.032 1.00 0.00 C ATOM 1144 CD ARG A 72 184.552 -4.800 -1.312 1.00 0.00 C ATOM 1145 NE ARG A 72 185.557 -4.104 -0.507 1.00 0.00 N ATOM 1146 CZ ARG A 72 186.867 -4.117 -0.769 1.00 0.00 C ATOM 1147 NH1 ARG A 72 187.344 -4.796 -1.809 1.00 0.00 N ATOM 1148 NH2 ARG A 72 187.706 -3.449 0.015 1.00 0.00 N ATOM 0 H ARG A 72 179.985 -4.438 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 72 181.713 -2.215 -1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 72 181.795 -5.076 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 72 183.022 -4.009 -3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 72 183.197 -3.331 -0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 72 182.636 -4.983 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 72 184.600 -5.869 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 72 184.781 -4.668 -2.370 1.00 0.00 H new ATOM 0 HE ARG A 72 185.237 -3.576 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 72 186.708 -5.313 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 72 188.346 -4.799 -2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 72 187.350 -2.927 0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 72 188.706 -3.458 -0.184 1.00 0.00 H new ATOM 1162 N LEU A 73 180.389 -3.023 -4.531 1.00 0.00 N ATOM 1163 CA LEU A 73 180.170 -2.544 -5.896 1.00 0.00 C ATOM 1164 C LEU A 73 179.534 -1.156 -5.886 1.00 0.00 C ATOM 1165 O LEU A 73 179.984 -0.251 -6.593 1.00 0.00 O ATOM 1166 CB LEU A 73 179.282 -3.519 -6.677 1.00 0.00 C ATOM 1167 CG LEU A 73 179.534 -3.557 -8.190 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.353 -4.784 -8.566 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.218 -3.536 -8.955 1.00 0.00 C ATOM 0 H LEU A 73 179.873 -3.870 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 73 181.140 -2.482 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 73 179.428 -4.521 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.239 -3.255 -6.504 1.00 0.00 H new ATOM 0 HG LEU A 73 180.102 -2.668 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 73 180.521 -4.793 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.312 -4.754 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 73 179.813 -5.685 -8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 73 178.419 -3.564 -10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.621 -4.404 -8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 73 177.670 -2.625 -8.712 1.00 0.00 H new ATOM 1181 N MET A 74 178.488 -0.996 -5.076 1.00 0.00 N ATOM 1182 CA MET A 74 177.786 0.281 -4.965 1.00 0.00 C ATOM 1183 C MET A 74 178.719 1.372 -4.442 1.00 0.00 C ATOM 1184 O MET A 74 178.748 2.478 -4.981 1.00 0.00 O ATOM 1185 CB MET A 74 176.570 0.142 -4.043 1.00 0.00 C ATOM 1186 CG MET A 74 175.767 1.425 -3.888 1.00 0.00 C ATOM 1187 SD MET A 74 176.184 2.326 -2.383 1.00 0.00 S ATOM 1188 CE MET A 74 175.460 1.261 -1.137 1.00 0.00 C ATOM 0 H MET A 74 178.108 -1.736 -4.486 1.00 0.00 H new ATOM 0 HA MET A 74 177.445 0.568 -5.960 1.00 0.00 H new ATOM 0 HB2 MET A 74 175.917 -0.639 -4.433 1.00 0.00 H new ATOM 0 HB3 MET A 74 176.907 -0.186 -3.060 1.00 0.00 H new ATOM 0 HG2 MET A 74 175.943 2.066 -4.752 1.00 0.00 H new ATOM 0 HG3 MET A 74 174.704 1.185 -3.881 1.00 0.00 H new ATOM 0 HE1 MET A 74 175.314 1.826 -0.216 1.00 0.00 H new ATOM 0 HE2 MET A 74 174.499 0.889 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 74 176.127 0.420 -0.945 1.00 0.00 H new ATOM 1198 N PHE A 75 179.478 1.055 -3.392 1.00 0.00 N ATOM 1199 CA PHE A 75 180.411 2.013 -2.801 1.00 0.00 C ATOM 1200 C PHE A 75 181.483 2.431 -3.806 1.00 0.00 C ATOM 1201 O PHE A 75 181.827 3.610 -3.899 1.00 0.00 O ATOM 1202 CB PHE A 75 181.073 1.424 -1.550 1.00 0.00 C ATOM 1203 CG PHE A 75 180.486 1.936 -0.265 1.00 0.00 C ATOM 1204 CD1 PHE A 75 180.645 3.263 0.105 1.00 0.00 C ATOM 1205 CD2 PHE A 75 179.774 1.092 0.572 1.00 0.00 C ATOM 1206 CE1 PHE A 75 180.105 3.737 1.285 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.231 1.561 1.753 1.00 0.00 C ATOM 1208 CZ PHE A 75 179.397 2.885 2.109 1.00 0.00 C ATOM 0 H PHE A 75 179.464 0.143 -2.935 1.00 0.00 H new ATOM 0 HA PHE A 75 179.839 2.897 -2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 75 180.980 0.338 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.139 1.653 -1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 75 181.197 3.934 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 75 179.642 0.056 0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 75 180.236 4.772 1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 75 178.678 0.893 2.397 1.00 0.00 H new ATOM 0 HZ PHE A 75 178.973 3.254 3.031 1.00 0.00 H new ATOM 1218 N SER A 76 182.007 1.460 -4.558 1.00 0.00 N ATOM 1219 CA SER A 76 183.039 1.734 -5.557 1.00 0.00 C ATOM 1220 C SER A 76 182.515 2.665 -6.650 1.00 0.00 C ATOM 1221 O SER A 76 183.210 3.591 -7.070 1.00 0.00 O ATOM 1222 CB SER A 76 183.545 0.429 -6.181 1.00 0.00 C ATOM 1223 OG SER A 76 184.371 -0.284 -5.276 1.00 0.00 O ATOM 0 H SER A 76 181.733 0.480 -4.493 1.00 0.00 H new ATOM 0 HA SER A 76 183.867 2.230 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 76 182.697 -0.192 -6.470 1.00 0.00 H new ATOM 0 HB3 SER A 76 184.103 0.650 -7.091 1.00 0.00 H new ATOM 0 HG SER A 76 183.811 -0.793 -4.653 1.00 0.00 H new ATOM 1229 N ASN A 77 181.286 2.415 -7.106 1.00 0.00 N ATOM 1230 CA ASN A 77 180.674 3.236 -8.149 1.00 0.00 C ATOM 1231 C ASN A 77 180.246 4.596 -7.600 1.00 0.00 C ATOM 1232 O ASN A 77 180.523 5.631 -8.208 1.00 0.00 O ATOM 1233 CB ASN A 77 179.469 2.517 -8.767 1.00 0.00 C ATOM 1234 CG ASN A 77 179.835 1.743 -10.020 1.00 0.00 C ATOM 1235 OD1 ASN A 77 179.658 0.528 -10.087 1.00 0.00 O ATOM 1236 ND2 ASN A 77 180.348 2.447 -11.024 1.00 0.00 N ATOM 0 H ASN A 77 180.698 1.653 -6.770 1.00 0.00 H new ATOM 0 HA ASN A 77 181.423 3.399 -8.924 1.00 0.00 H new ATOM 0 HB2 ASN A 77 179.042 1.833 -8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 77 178.698 3.248 -9.008 1.00 0.00 H new ATOM 0 HD21 ASN A 77 180.611 1.980 -11.892 1.00 0.00 H new ATOM 0 HD22 ASN A 77 180.478 3.454 -10.927 1.00 0.00 H new ATOM 1243 N CYS A 78 179.571 4.589 -6.450 1.00 0.00 N ATOM 1244 CA CYS A 78 179.105 5.826 -5.822 1.00 0.00 C ATOM 1245 C CYS A 78 180.274 6.753 -5.490 1.00 0.00 C ATOM 1246 O CYS A 78 180.163 7.973 -5.620 1.00 0.00 O ATOM 1247 CB CYS A 78 178.307 5.519 -4.553 1.00 0.00 C ATOM 1248 SG CYS A 78 177.177 6.840 -4.056 1.00 0.00 S ATOM 0 H CYS A 78 179.335 3.741 -5.935 1.00 0.00 H new ATOM 0 HA CYS A 78 178.456 6.334 -6.535 1.00 0.00 H new ATOM 0 HB2 CYS A 78 177.734 4.605 -4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.003 5.324 -3.737 1.00 0.00 H new ATOM 0 HG CYS A 78 176.178 6.332 -3.397 1.00 0.00 H new ATOM 1254 N TYR A 79 181.393 6.168 -5.065 1.00 0.00 N ATOM 1255 CA TYR A 79 182.584 6.944 -4.720 1.00 0.00 C ATOM 1256 C TYR A 79 183.092 7.734 -5.926 1.00 0.00 C ATOM 1257 O TYR A 79 183.618 8.837 -5.774 1.00 0.00 O ATOM 1258 CB TYR A 79 183.687 6.022 -4.194 1.00 0.00 C ATOM 1259 CG TYR A 79 184.841 6.753 -3.539 1.00 0.00 C ATOM 1260 CD1 TYR A 79 184.617 7.740 -2.585 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.155 6.449 -3.871 1.00 0.00 C ATOM 1262 CE1 TYR A 79 185.670 8.403 -1.985 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.213 7.109 -3.275 1.00 0.00 C ATOM 1264 CZ TYR A 79 186.965 8.083 -2.332 1.00 0.00 C ATOM 1265 OH TYR A 79 188.015 8.742 -1.735 1.00 0.00 O ATOM 0 H TYR A 79 181.500 5.160 -4.951 1.00 0.00 H new ATOM 0 HA TYR A 79 182.310 7.652 -3.938 1.00 0.00 H new ATOM 0 HB2 TYR A 79 183.254 5.329 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.071 5.424 -5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 79 183.604 7.992 -2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 79 186.353 5.684 -4.607 1.00 0.00 H new ATOM 0 HE1 TYR A 79 185.479 9.169 -1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.229 6.863 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 79 188.861 8.398 -2.089 1.00 0.00 H new ATOM 1275 N LYS A 80 182.923 7.168 -7.124 1.00 0.00 N ATOM 1276 CA LYS A 80 183.357 7.826 -8.354 1.00 0.00 C ATOM 1277 C LYS A 80 182.619 9.153 -8.548 1.00 0.00 C ATOM 1278 O LYS A 80 183.195 10.124 -9.040 1.00 0.00 O ATOM 1279 CB LYS A 80 183.123 6.909 -9.562 1.00 0.00 C ATOM 1280 CG LYS A 80 183.730 7.432 -10.857 1.00 0.00 C ATOM 1281 CD LYS A 80 183.701 6.381 -11.959 1.00 0.00 C ATOM 1282 CE LYS A 80 185.013 6.340 -12.732 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.823 5.867 -14.134 1.00 0.00 N ATOM 0 H LYS A 80 182.489 6.256 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 80 184.424 8.033 -8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.541 5.926 -9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 80 182.050 6.775 -9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 80 183.183 8.317 -11.184 1.00 0.00 H new ATOM 0 HG3 LYS A 80 184.759 7.742 -10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 80 183.505 5.402 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 80 182.881 6.595 -12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 80 185.458 7.335 -12.743 1.00 0.00 H new ATOM 0 HE3 LYS A 80 185.715 5.682 -12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 185.741 5.854 -14.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 184.422 4.907 -14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 184.174 6.509 -14.632 1.00 0.00 H new ATOM 1297 N TYR A 81 181.345 9.189 -8.150 1.00 0.00 N ATOM 1298 CA TYR A 81 180.537 10.401 -8.273 1.00 0.00 C ATOM 1299 C TYR A 81 180.732 11.326 -7.068 1.00 0.00 C ATOM 1300 O TYR A 81 180.691 12.549 -7.210 1.00 0.00 O ATOM 1301 CB TYR A 81 179.054 10.046 -8.422 1.00 0.00 C ATOM 1302 CG TYR A 81 178.231 11.143 -9.063 1.00 0.00 C ATOM 1303 CD1 TYR A 81 178.194 11.292 -10.444 1.00 0.00 C ATOM 1304 CD2 TYR A 81 177.492 12.029 -8.287 1.00 0.00 C ATOM 1305 CE1 TYR A 81 177.445 12.292 -11.034 1.00 0.00 C ATOM 1306 CE2 TYR A 81 176.740 13.031 -8.871 1.00 0.00 C ATOM 1307 CZ TYR A 81 176.720 13.158 -10.243 1.00 0.00 C ATOM 1308 OH TYR A 81 175.972 14.154 -10.827 1.00 0.00 O ATOM 0 H TYR A 81 180.853 8.394 -7.741 1.00 0.00 H new ATOM 0 HA TYR A 81 180.870 10.929 -9.167 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.964 9.139 -9.020 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.642 9.821 -7.438 1.00 0.00 H new ATOM 0 HD1 TYR A 81 178.760 10.615 -11.067 1.00 0.00 H new ATOM 0 HD2 TYR A 81 177.506 11.933 -7.211 1.00 0.00 H new ATOM 0 HE1 TYR A 81 177.428 12.395 -12.109 1.00 0.00 H new ATOM 0 HE2 TYR A 81 176.171 13.711 -8.255 1.00 0.00 H new ATOM 0 HH TYR A 81 175.521 14.676 -10.131 1.00 0.00 H new ATOM 1318 N ASN A 82 180.941 10.737 -5.885 1.00 0.00 N ATOM 1319 CA ASN A 82 181.139 11.515 -4.658 1.00 0.00 C ATOM 1320 C ASN A 82 182.314 12.488 -4.805 1.00 0.00 C ATOM 1321 O ASN A 82 183.468 12.065 -4.892 1.00 0.00 O ATOM 1322 CB ASN A 82 181.387 10.583 -3.465 1.00 0.00 C ATOM 1323 CG ASN A 82 180.109 10.211 -2.732 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.143 10.975 -2.716 1.00 0.00 O ATOM 1325 ND2 ASN A 82 180.097 9.034 -2.113 1.00 0.00 N ATOM 0 H ASN A 82 180.977 9.726 -5.752 1.00 0.00 H new ATOM 0 HA ASN A 82 180.231 12.091 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.877 9.675 -3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 82 182.072 11.066 -2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 82 179.267 8.735 -1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 82 180.918 8.430 -2.150 1.00 0.00 H new ATOM 1332 N PRO A 83 182.031 13.810 -4.835 1.00 0.00 N ATOM 1333 CA PRO A 83 183.069 14.845 -4.974 1.00 0.00 C ATOM 1334 C PRO A 83 184.140 14.755 -3.886 1.00 0.00 C ATOM 1335 O PRO A 83 183.881 14.254 -2.793 1.00 0.00 O ATOM 1336 CB PRO A 83 182.289 16.158 -4.840 1.00 0.00 C ATOM 1337 CG PRO A 83 180.889 15.811 -5.209 1.00 0.00 C ATOM 1338 CD PRO A 83 180.680 14.399 -4.739 1.00 0.00 C ATOM 0 HA PRO A 83 183.610 14.745 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 83 182.345 16.549 -3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 83 182.693 16.926 -5.499 1.00 0.00 H new ATOM 0 HG2 PRO A 83 180.180 16.490 -4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 83 180.737 15.891 -6.285 1.00 0.00 H new ATOM 0 HD2 PRO A 83 180.298 14.366 -3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 83 179.963 13.868 -5.365 1.00 0.00 H new ATOM 1346 N PRO A 84 185.364 15.243 -4.170 1.00 0.00 N ATOM 1347 CA PRO A 84 186.470 15.212 -3.206 1.00 0.00 C ATOM 1348 C PRO A 84 186.291 16.228 -2.076 1.00 0.00 C ATOM 1349 O PRO A 84 185.916 17.377 -2.317 1.00 0.00 O ATOM 1350 CB PRO A 84 187.690 15.565 -4.056 1.00 0.00 C ATOM 1351 CG PRO A 84 187.149 16.389 -5.173 1.00 0.00 C ATOM 1352 CD PRO A 84 185.765 15.861 -5.450 1.00 0.00 C ATOM 0 HA PRO A 84 186.546 14.247 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.429 16.119 -3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.185 14.669 -4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 84 187.116 17.443 -4.899 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.781 16.309 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 84 185.082 16.660 -5.740 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.769 15.134 -6.262 1.00 0.00 H new ATOM 1360 N ASP A 85 186.565 15.790 -0.845 1.00 0.00 N ATOM 1361 CA ASP A 85 186.442 16.648 0.337 1.00 0.00 C ATOM 1362 C ASP A 85 185.010 17.169 0.504 1.00 0.00 C ATOM 1363 O ASP A 85 184.781 18.377 0.582 1.00 0.00 O ATOM 1364 CB ASP A 85 187.430 17.820 0.252 1.00 0.00 C ATOM 1365 CG ASP A 85 188.021 18.173 1.603 1.00 0.00 C ATOM 1366 OD1 ASP A 85 188.911 17.433 2.074 1.00 0.00 O ATOM 1367 OD2 ASP A 85 187.592 19.187 2.194 1.00 0.00 O ATOM 0 H ASP A 85 186.875 14.840 -0.640 1.00 0.00 H new ATOM 0 HA ASP A 85 186.682 16.045 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 85 188.234 17.565 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 85 186.921 18.692 -0.159 1.00 0.00 H new ATOM 1372 N HIS A 86 184.050 16.245 0.558 1.00 0.00 N ATOM 1373 CA HIS A 86 182.641 16.600 0.716 1.00 0.00 C ATOM 1374 C HIS A 86 182.055 15.947 1.966 1.00 0.00 C ATOM 1375 O HIS A 86 182.474 14.855 2.356 1.00 0.00 O ATOM 1376 CB HIS A 86 181.851 16.159 -0.520 1.00 0.00 C ATOM 1377 CG HIS A 86 180.775 17.118 -0.929 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.656 17.373 -0.163 1.00 0.00 N ATOM 1379 CD2 HIS A 86 180.646 17.879 -2.042 1.00 0.00 C ATOM 1380 CE1 HIS A 86 178.887 18.246 -0.787 1.00 0.00 C ATOM 1381 NE2 HIS A 86 179.465 18.569 -1.928 1.00 0.00 N ATOM 0 H HIS A 86 184.224 15.242 0.494 1.00 0.00 H new ATOM 0 HA HIS A 86 182.568 17.682 0.825 1.00 0.00 H new ATOM 0 HB2 HIS A 86 182.542 16.028 -1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.401 15.186 -0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 86 181.343 17.933 -2.866 1.00 0.00 H new ATOM 0 HE1 HIS A 86 177.945 18.630 -0.425 1.00 0.00 H new ATOM 0 HE2 HIS A 86 179.094 19.226 -2.615 1.00 0.00 H new ATOM 1390 N GLU A 87 181.087 16.618 2.592 1.00 0.00 N ATOM 1391 CA GLU A 87 180.444 16.096 3.799 1.00 0.00 C ATOM 1392 C GLU A 87 179.840 14.714 3.553 1.00 0.00 C ATOM 1393 O GLU A 87 179.988 13.810 4.376 1.00 0.00 O ATOM 1394 CB GLU A 87 179.359 17.058 4.289 1.00 0.00 C ATOM 1395 CG GLU A 87 179.910 18.253 5.051 1.00 0.00 C ATOM 1396 CD GLU A 87 179.937 19.522 4.219 1.00 0.00 C ATOM 1397 OE1 GLU A 87 180.425 19.472 3.069 1.00 0.00 O ATOM 1398 OE2 GLU A 87 179.470 20.567 4.719 1.00 0.00 O ATOM 0 H GLU A 87 180.731 17.523 2.284 1.00 0.00 H new ATOM 0 HA GLU A 87 181.212 16.003 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.787 17.415 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 87 178.666 16.515 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 87 179.304 18.421 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 87 180.920 18.026 5.391 1.00 0.00 H new ATOM 1405 N VAL A 88 179.161 14.557 2.415 1.00 0.00 N ATOM 1406 CA VAL A 88 178.538 13.282 2.061 1.00 0.00 C ATOM 1407 C VAL A 88 179.580 12.171 1.925 1.00 0.00 C ATOM 1408 O VAL A 88 179.307 11.011 2.236 1.00 0.00 O ATOM 1409 CB VAL A 88 177.729 13.382 0.748 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.550 14.331 0.917 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.618 13.822 -0.412 1.00 0.00 C ATOM 0 H VAL A 88 179.029 15.296 1.724 1.00 0.00 H new ATOM 0 HA VAL A 88 177.856 13.037 2.875 1.00 0.00 H new ATOM 0 HB VAL A 88 177.341 12.391 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 88 175.992 14.389 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 88 175.896 13.962 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 88 176.916 15.323 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 88 178.023 13.884 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 88 179.047 14.800 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.420 13.097 -0.551 1.00 0.00 H new ATOM 1421 N VAL A 89 180.777 12.536 1.463 1.00 0.00 N ATOM 1422 CA VAL A 89 181.862 11.574 1.290 1.00 0.00 C ATOM 1423 C VAL A 89 182.311 11.015 2.639 1.00 0.00 C ATOM 1424 O VAL A 89 182.506 9.807 2.783 1.00 0.00 O ATOM 1425 CB VAL A 89 183.072 12.209 0.575 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.124 11.157 0.255 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.630 12.932 -0.690 1.00 0.00 C ATOM 0 H VAL A 89 181.018 13.492 1.202 1.00 0.00 H new ATOM 0 HA VAL A 89 181.476 10.764 0.671 1.00 0.00 H new ATOM 0 HB VAL A 89 183.519 12.941 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 89 184.968 11.628 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.467 10.692 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 89 183.692 10.396 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.498 13.373 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.153 12.223 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 89 181.921 13.719 -0.431 1.00 0.00 H new ATOM 1437 N ALA A 90 182.462 11.900 3.626 1.00 0.00 N ATOM 1438 CA ALA A 90 182.875 11.491 4.968 1.00 0.00 C ATOM 1439 C ALA A 90 181.907 10.458 5.541 1.00 0.00 C ATOM 1440 O ALA A 90 182.321 9.508 6.207 1.00 0.00 O ATOM 1441 CB ALA A 90 182.967 12.699 5.889 1.00 0.00 C ATOM 0 H ALA A 90 182.305 12.902 3.521 1.00 0.00 H new ATOM 0 HA ALA A 90 183.862 11.033 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.276 12.376 6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.699 13.403 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.993 13.184 5.951 1.00 0.00 H new ATOM 1447 N MET A 91 180.614 10.650 5.268 1.00 0.00 N ATOM 1448 CA MET A 91 179.582 9.734 5.745 1.00 0.00 C ATOM 1449 C MET A 91 179.735 8.361 5.094 1.00 0.00 C ATOM 1450 O MET A 91 179.607 7.334 5.761 1.00 0.00 O ATOM 1451 CB MET A 91 178.190 10.300 5.455 1.00 0.00 C ATOM 1452 CG MET A 91 177.748 11.364 6.447 1.00 0.00 C ATOM 1453 SD MET A 91 177.056 12.824 5.644 1.00 0.00 S ATOM 1454 CE MET A 91 175.728 12.094 4.691 1.00 0.00 C ATOM 0 H MET A 91 180.259 11.433 4.719 1.00 0.00 H new ATOM 0 HA MET A 91 179.699 9.622 6.823 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.181 10.725 4.451 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.466 9.485 5.463 1.00 0.00 H new ATOM 0 HG2 MET A 91 177.004 10.939 7.121 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.600 11.661 7.058 1.00 0.00 H new ATOM 0 HE1 MET A 91 175.536 12.704 3.808 1.00 0.00 H new ATOM 0 HE2 MET A 91 176.012 11.088 4.382 1.00 0.00 H new ATOM 0 HE3 MET A 91 174.826 12.045 5.301 1.00 0.00 H new ATOM 1464 N ALA A 92 180.012 8.354 3.789 1.00 0.00 N ATOM 1465 CA ALA A 92 180.187 7.109 3.046 1.00 0.00 C ATOM 1466 C ALA A 92 181.330 6.277 3.623 1.00 0.00 C ATOM 1467 O ALA A 92 181.179 5.076 3.851 1.00 0.00 O ATOM 1468 CB ALA A 92 180.435 7.402 1.572 1.00 0.00 C ATOM 0 H ALA A 92 180.120 9.198 3.226 1.00 0.00 H new ATOM 0 HA ALA A 92 179.269 6.529 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.564 6.464 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.584 7.944 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.336 8.007 1.468 1.00 0.00 H new ATOM 1474 N ARG A 93 182.473 6.924 3.861 1.00 0.00 N ATOM 1475 CA ARG A 93 183.642 6.241 4.416 1.00 0.00 C ATOM 1476 C ARG A 93 183.319 5.634 5.780 1.00 0.00 C ATOM 1477 O ARG A 93 183.682 4.489 6.057 1.00 0.00 O ATOM 1478 CB ARG A 93 184.825 7.205 4.538 1.00 0.00 C ATOM 1479 CG ARG A 93 185.240 7.839 3.218 1.00 0.00 C ATOM 1480 CD ARG A 93 185.717 9.270 3.414 1.00 0.00 C ATOM 1481 NE ARG A 93 187.176 9.371 3.405 1.00 0.00 N ATOM 1482 CZ ARG A 93 187.854 10.417 3.883 1.00 0.00 C ATOM 1483 NH1 ARG A 93 187.210 11.456 4.409 1.00 0.00 N ATOM 1484 NH2 ARG A 93 189.182 10.424 3.837 1.00 0.00 N ATOM 0 H ARG A 93 182.613 7.918 3.678 1.00 0.00 H new ATOM 0 HA ARG A 93 183.915 5.437 3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.567 7.994 5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.677 6.669 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 93 186.035 7.248 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 93 184.398 7.826 2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 93 185.306 9.900 2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.334 9.653 4.360 1.00 0.00 H new ATOM 0 HE ARG A 93 187.708 8.595 3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 93 186.191 11.457 4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 93 187.736 12.251 4.772 1.00 0.00 H new ATOM 0 HH21 ARG A 93 189.683 9.631 3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 93 189.701 11.223 4.202 1.00 0.00 H new ATOM 1498 N LYS A 94 182.629 6.402 6.624 1.00 0.00 N ATOM 1499 CA LYS A 94 182.250 5.930 7.955 1.00 0.00 C ATOM 1500 C LYS A 94 181.380 4.675 7.857 1.00 0.00 C ATOM 1501 O LYS A 94 181.560 3.726 8.622 1.00 0.00 O ATOM 1502 CB LYS A 94 181.502 7.026 8.721 1.00 0.00 C ATOM 1503 CG LYS A 94 181.810 7.055 10.212 1.00 0.00 C ATOM 1504 CD LYS A 94 182.297 8.427 10.658 1.00 0.00 C ATOM 1505 CE LYS A 94 182.136 8.623 12.159 1.00 0.00 C ATOM 1506 NZ LYS A 94 181.481 9.921 12.487 1.00 0.00 N ATOM 0 H LYS A 94 182.322 7.351 6.410 1.00 0.00 H new ATOM 0 HA LYS A 94 183.162 5.681 8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 94 181.754 7.994 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.430 6.885 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 94 180.916 6.785 10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 94 182.569 6.307 10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 94 183.346 8.547 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 94 181.740 9.200 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 94 181.544 7.805 12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 94 183.115 8.580 12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 180.800 9.780 13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 182.203 10.609 12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 180.983 10.280 11.648 1.00 0.00 H new ATOM 1520 N LEU A 95 180.441 4.677 6.906 1.00 0.00 N ATOM 1521 CA LEU A 95 179.546 3.537 6.700 1.00 0.00 C ATOM 1522 C LEU A 95 180.322 2.301 6.236 1.00 0.00 C ATOM 1523 O LEU A 95 179.977 1.175 6.594 1.00 0.00 O ATOM 1524 CB LEU A 95 178.457 3.885 5.680 1.00 0.00 C ATOM 1525 CG LEU A 95 177.465 4.964 6.125 1.00 0.00 C ATOM 1526 CD1 LEU A 95 176.633 5.445 4.945 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.565 4.437 7.235 1.00 0.00 C ATOM 0 H LEU A 95 180.282 5.456 6.267 1.00 0.00 H new ATOM 0 HA LEU A 95 179.076 3.307 7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.937 4.214 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 95 177.900 2.978 5.444 1.00 0.00 H new ATOM 0 HG LEU A 95 178.030 5.811 6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.934 6.211 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 95 177.290 5.863 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.078 4.606 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.867 5.217 7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.008 3.573 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 95 177.175 4.143 8.089 1.00 0.00 H new ATOM 1539 N GLN A 96 181.375 2.520 5.445 1.00 0.00 N ATOM 1540 CA GLN A 96 182.203 1.423 4.945 1.00 0.00 C ATOM 1541 C GLN A 96 183.001 0.787 6.085 1.00 0.00 C ATOM 1542 O GLN A 96 183.089 -0.438 6.181 1.00 0.00 O ATOM 1543 CB GLN A 96 183.156 1.928 3.856 1.00 0.00 C ATOM 1544 CG GLN A 96 184.018 0.837 3.233 1.00 0.00 C ATOM 1545 CD GLN A 96 184.639 1.262 1.913 1.00 0.00 C ATOM 1546 OE1 GLN A 96 184.714 2.451 1.604 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.089 0.291 1.125 1.00 0.00 N ATOM 0 H GLN A 96 181.673 3.446 5.138 1.00 0.00 H new ATOM 0 HA GLN A 96 181.545 0.667 4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.572 2.408 3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.806 2.692 4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 96 184.809 0.563 3.930 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.410 -0.054 3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 96 185.008 -0.683 1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 96 185.516 0.519 0.227 1.00 0.00 H new ATOM 1556 N ASP A 97 183.579 1.631 6.944 1.00 0.00 N ATOM 1557 CA ASP A 97 184.373 1.160 8.081 1.00 0.00 C ATOM 1558 C ASP A 97 183.515 0.360 9.059 1.00 0.00 C ATOM 1559 O ASP A 97 183.907 -0.723 9.492 1.00 0.00 O ATOM 1560 CB ASP A 97 185.023 2.346 8.808 1.00 0.00 C ATOM 1561 CG ASP A 97 186.168 1.927 9.713 1.00 0.00 C ATOM 1562 OD1 ASP A 97 185.944 1.084 10.607 1.00 0.00 O ATOM 1563 OD2 ASP A 97 187.288 2.447 9.529 1.00 0.00 O ATOM 0 H ASP A 97 183.511 2.646 6.873 1.00 0.00 H new ATOM 0 HA ASP A 97 185.154 0.506 7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.391 3.060 8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.267 2.861 9.401 1.00 0.00 H new ATOM 1568 N VAL A 98 182.343 0.897 9.401 1.00 0.00 N ATOM 1569 CA VAL A 98 181.434 0.225 10.327 1.00 0.00 C ATOM 1570 C VAL A 98 180.942 -1.105 9.746 1.00 0.00 C ATOM 1571 O VAL A 98 180.888 -2.113 10.453 1.00 0.00 O ATOM 1572 CB VAL A 98 180.231 1.121 10.709 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.390 1.472 9.489 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.381 0.447 11.779 1.00 0.00 C ATOM 0 H VAL A 98 182.003 1.793 9.051 1.00 0.00 H new ATOM 0 HA VAL A 98 181.999 0.022 11.237 1.00 0.00 H new ATOM 0 HB VAL A 98 180.623 2.053 11.116 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.554 2.102 9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 98 180.004 2.008 8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 98 179.009 0.558 9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.540 1.091 12.035 1.00 0.00 H new ATOM 0 HG22 VAL A 98 179.007 -0.504 11.401 1.00 0.00 H new ATOM 0 HG23 VAL A 98 179.987 0.271 12.668 1.00 0.00 H new ATOM 1584 N PHE A 99 180.593 -1.103 8.457 1.00 0.00 N ATOM 1585 CA PHE A 99 180.119 -2.313 7.786 1.00 0.00 C ATOM 1586 C PHE A 99 181.213 -3.379 7.752 1.00 0.00 C ATOM 1587 O PHE A 99 180.982 -4.524 8.139 1.00 0.00 O ATOM 1588 CB PHE A 99 179.661 -1.991 6.359 1.00 0.00 C ATOM 1589 CG PHE A 99 178.605 -2.926 5.836 1.00 0.00 C ATOM 1590 CD1 PHE A 99 178.909 -4.250 5.555 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.309 -2.482 5.627 1.00 0.00 C ATOM 1592 CE1 PHE A 99 177.939 -5.111 5.077 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.336 -3.339 5.149 1.00 0.00 C ATOM 1594 CZ PHE A 99 176.651 -4.655 4.874 1.00 0.00 C ATOM 0 H PHE A 99 180.630 -0.278 7.859 1.00 0.00 H new ATOM 0 HA PHE A 99 179.272 -2.701 8.351 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.276 -0.971 6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.524 -2.024 5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 99 179.914 -4.612 5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 99 177.056 -1.454 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 99 178.188 -6.140 4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.330 -2.980 4.991 1.00 0.00 H new ATOM 0 HZ PHE A 99 175.892 -5.326 4.501 1.00 0.00 H new ATOM 1604 N GLU A 100 182.405 -2.994 7.290 1.00 0.00 N ATOM 1605 CA GLU A 100 183.535 -3.921 7.207 1.00 0.00 C ATOM 1606 C GLU A 100 183.886 -4.481 8.583 1.00 0.00 C ATOM 1607 O GLU A 100 184.114 -5.682 8.730 1.00 0.00 O ATOM 1608 CB GLU A 100 184.756 -3.228 6.587 1.00 0.00 C ATOM 1609 CG GLU A 100 185.469 -4.078 5.545 1.00 0.00 C ATOM 1610 CD GLU A 100 186.636 -4.860 6.115 1.00 0.00 C ATOM 1611 OE1 GLU A 100 186.407 -5.711 6.998 1.00 0.00 O ATOM 1612 OE2 GLU A 100 187.779 -4.627 5.672 1.00 0.00 O ATOM 0 H GLU A 100 182.612 -2.048 6.968 1.00 0.00 H new ATOM 0 HA GLU A 100 183.241 -4.752 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.439 -2.292 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.460 -2.971 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.756 -4.773 5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.828 -3.434 4.743 1.00 0.00 H new ATOM 1619 N MET A 101 183.920 -3.609 9.588 1.00 0.00 N ATOM 1620 CA MET A 101 184.236 -4.021 10.953 1.00 0.00 C ATOM 1621 C MET A 101 183.230 -5.051 11.461 1.00 0.00 C ATOM 1622 O MET A 101 183.613 -6.088 12.004 1.00 0.00 O ATOM 1623 CB MET A 101 184.259 -2.807 11.885 1.00 0.00 C ATOM 1624 CG MET A 101 185.659 -2.398 12.309 1.00 0.00 C ATOM 1625 SD MET A 101 185.935 -2.585 14.082 1.00 0.00 S ATOM 1626 CE MET A 101 184.526 -1.699 14.744 1.00 0.00 C ATOM 0 H MET A 101 183.732 -2.612 9.482 1.00 0.00 H new ATOM 0 HA MET A 101 185.224 -4.481 10.945 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.778 -1.966 11.386 1.00 0.00 H new ATOM 0 HB3 MET A 101 183.669 -3.030 12.774 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.388 -3.000 11.767 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.830 -1.359 12.027 1.00 0.00 H new ATOM 0 HE1 MET A 101 184.810 -1.206 15.673 1.00 0.00 H new ATOM 0 HE2 MET A 101 184.195 -0.952 14.023 1.00 0.00 H new ATOM 0 HE3 MET A 101 183.714 -2.400 14.939 1.00 0.00 H new ATOM 1636 N ARG A 102 181.942 -4.760 11.277 1.00 0.00 N ATOM 1637 CA ARG A 102 180.879 -5.662 11.713 1.00 0.00 C ATOM 1638 C ARG A 102 180.899 -6.962 10.908 1.00 0.00 C ATOM 1639 O ARG A 102 180.746 -8.047 11.469 1.00 0.00 O ATOM 1640 CB ARG A 102 179.513 -4.978 11.582 1.00 0.00 C ATOM 1641 CG ARG A 102 178.774 -4.827 12.905 1.00 0.00 C ATOM 1642 CD ARG A 102 178.905 -3.417 13.466 1.00 0.00 C ATOM 1643 NE ARG A 102 178.837 -3.399 14.927 1.00 0.00 N ATOM 1644 CZ ARG A 102 179.863 -3.705 15.727 1.00 0.00 C ATOM 1645 NH1 ARG A 102 181.037 -4.068 15.210 1.00 0.00 N ATOM 1646 NH2 ARG A 102 179.716 -3.652 17.046 1.00 0.00 N ATOM 0 H ARG A 102 181.611 -3.906 10.829 1.00 0.00 H new ATOM 0 HA ARG A 102 181.052 -5.908 12.761 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.652 -3.992 11.139 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.893 -5.553 10.894 1.00 0.00 H new ATOM 0 HG2 ARG A 102 177.720 -5.065 12.762 1.00 0.00 H new ATOM 0 HG3 ARG A 102 179.168 -5.543 13.626 1.00 0.00 H new ATOM 0 HD2 ARG A 102 179.852 -2.985 13.142 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.112 -2.790 13.059 1.00 0.00 H new ATOM 0 HE ARG A 102 177.952 -3.137 15.362 1.00 0.00 H new ATOM 0 HH11 ARG A 102 181.156 -4.114 14.198 1.00 0.00 H new ATOM 0 HH12 ARG A 102 181.816 -4.300 15.826 1.00 0.00 H new ATOM 0 HH21 ARG A 102 178.820 -3.378 17.449 1.00 0.00 H new ATOM 0 HH22 ARG A 102 180.499 -3.886 17.656 1.00 0.00 H new ATOM 1660 N PHE A 103 181.094 -6.844 9.593 1.00 0.00 N ATOM 1661 CA PHE A 103 181.139 -8.011 8.712 1.00 0.00 C ATOM 1662 C PHE A 103 182.307 -8.927 9.075 1.00 0.00 C ATOM 1663 O PHE A 103 182.141 -10.141 9.180 1.00 0.00 O ATOM 1664 CB PHE A 103 181.258 -7.574 7.249 1.00 0.00 C ATOM 1665 CG PHE A 103 180.344 -8.325 6.321 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.982 -8.069 6.310 1.00 0.00 C ATOM 1667 CD2 PHE A 103 180.847 -9.288 5.460 1.00 0.00 C ATOM 1668 CE1 PHE A 103 178.140 -8.758 5.459 1.00 0.00 C ATOM 1669 CE2 PHE A 103 180.009 -9.980 4.606 1.00 0.00 C ATOM 1670 CZ PHE A 103 178.654 -9.714 4.606 1.00 0.00 C ATOM 0 H PHE A 103 181.223 -5.952 9.116 1.00 0.00 H new ATOM 0 HA PHE A 103 180.210 -8.565 8.844 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.039 -6.509 7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.288 -7.711 6.920 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.574 -7.322 6.975 1.00 0.00 H new ATOM 0 HD2 PHE A 103 181.906 -9.500 5.456 1.00 0.00 H new ATOM 0 HE1 PHE A 103 177.080 -8.549 5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 103 180.413 -10.728 3.940 1.00 0.00 H new ATOM 0 HZ PHE A 103 177.997 -10.253 3.939 1.00 0.00 H new ATOM 1680 N ALA A 104 183.489 -8.338 9.264 1.00 0.00 N ATOM 1681 CA ALA A 104 184.682 -9.107 9.616 1.00 0.00 C ATOM 1682 C ALA A 104 184.541 -9.747 10.996 1.00 0.00 C ATOM 1683 O ALA A 104 185.020 -10.857 11.221 1.00 0.00 O ATOM 1684 CB ALA A 104 185.923 -8.226 9.568 1.00 0.00 C ATOM 0 H ALA A 104 183.645 -7.334 9.179 1.00 0.00 H new ATOM 0 HA ALA A 104 184.790 -9.905 8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.799 -8.817 9.833 1.00 0.00 H new ATOM 0 HB2 ALA A 104 186.046 -7.826 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.813 -7.404 10.275 1.00 0.00 H new ATOM 1690 N LYS A 105 183.884 -9.041 11.919 1.00 0.00 N ATOM 1691 CA LYS A 105 183.685 -9.550 13.275 1.00 0.00 C ATOM 1692 C LYS A 105 182.667 -10.692 13.298 1.00 0.00 C ATOM 1693 O LYS A 105 182.878 -11.699 13.973 1.00 0.00 O ATOM 1694 CB LYS A 105 183.232 -8.427 14.214 1.00 0.00 C ATOM 1695 CG LYS A 105 184.043 -8.344 15.498 1.00 0.00 C ATOM 1696 CD LYS A 105 183.215 -8.740 16.712 1.00 0.00 C ATOM 1697 CE LYS A 105 184.028 -9.563 17.700 1.00 0.00 C ATOM 1698 NZ LYS A 105 183.307 -10.795 18.131 1.00 0.00 N ATOM 0 H LYS A 105 183.482 -8.118 11.752 1.00 0.00 H new ATOM 0 HA LYS A 105 184.642 -9.938 13.623 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.301 -7.475 13.688 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.182 -8.577 14.466 1.00 0.00 H new ATOM 0 HG2 LYS A 105 184.913 -8.996 15.422 1.00 0.00 H new ATOM 0 HG3 LYS A 105 184.417 -7.328 15.628 1.00 0.00 H new ATOM 0 HD2 LYS A 105 182.841 -7.843 17.206 1.00 0.00 H new ATOM 0 HD3 LYS A 105 182.346 -9.313 16.389 1.00 0.00 H new ATOM 0 HE2 LYS A 105 184.978 -9.840 17.244 1.00 0.00 H new ATOM 0 HE3 LYS A 105 184.259 -8.954 18.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 183.897 -11.325 18.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 182.412 -10.531 18.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 183.109 -11.389 17.301 1.00 0.00 H new ATOM 1712 N MET A 106 181.561 -10.525 12.565 1.00 0.00 N ATOM 1713 CA MET A 106 180.511 -11.548 12.512 1.00 0.00 C ATOM 1714 C MET A 106 180.975 -12.799 11.752 1.00 0.00 C ATOM 1715 O MET A 106 180.581 -13.915 12.091 1.00 0.00 O ATOM 1716 CB MET A 106 179.224 -10.983 11.886 1.00 0.00 C ATOM 1717 CG MET A 106 179.354 -10.581 10.424 1.00 0.00 C ATOM 1718 SD MET A 106 178.046 -11.277 9.394 1.00 0.00 S ATOM 1719 CE MET A 106 179.010 -12.222 8.216 1.00 0.00 C ATOM 0 H MET A 106 181.370 -9.696 12.003 1.00 0.00 H new ATOM 0 HA MET A 106 180.296 -11.844 13.539 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.434 -11.729 11.975 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.907 -10.113 12.462 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.333 -9.494 10.347 1.00 0.00 H new ATOM 0 HG3 MET A 106 180.322 -10.909 10.046 1.00 0.00 H new ATOM 0 HE1 MET A 106 178.416 -12.399 7.319 1.00 0.00 H new ATOM 0 HE2 MET A 106 179.909 -11.665 7.952 1.00 0.00 H new ATOM 0 HE3 MET A 106 179.292 -13.177 8.659 1.00 0.00 H new ATOM 1729 N LEU A 107 181.809 -12.607 10.726 1.00 0.00 N ATOM 1730 CA LEU A 107 182.319 -13.725 9.927 1.00 0.00 C ATOM 1731 C LEU A 107 183.554 -14.345 10.576 1.00 0.00 C ATOM 1732 O LEU A 107 183.694 -15.569 10.617 1.00 0.00 O ATOM 1733 CB LEU A 107 182.657 -13.261 8.506 1.00 0.00 C ATOM 1734 CG LEU A 107 182.000 -14.062 7.380 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.948 -13.235 6.106 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.744 -15.369 7.139 1.00 0.00 C ATOM 0 H LEU A 107 182.145 -11.691 10.430 1.00 0.00 H new ATOM 0 HA LEU A 107 181.536 -14.482 9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.364 -12.216 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.738 -13.303 8.376 1.00 0.00 H new ATOM 0 HG LEU A 107 180.981 -14.304 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 107 181.478 -13.817 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 107 181.368 -12.329 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.960 -12.965 5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 107 182.258 -15.921 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 107 183.776 -15.154 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.731 -15.968 8.049 1.00 0.00 H new ATOM 1748 N GLN A 108 184.447 -13.489 11.083 1.00 0.00 N ATOM 1749 CA GLN A 108 185.676 -13.944 11.735 1.00 0.00 C ATOM 1750 C GLN A 108 186.615 -14.643 10.744 1.00 0.00 C ATOM 1751 O GLN A 108 186.277 -14.714 9.541 1.00 0.00 O ATOM 1752 CB GLN A 108 185.341 -14.883 12.903 1.00 0.00 C ATOM 1753 CG GLN A 108 184.399 -14.269 13.930 1.00 0.00 C ATOM 1754 CD GLN A 108 183.911 -15.273 14.959 1.00 0.00 C ATOM 1755 OE1 GLN A 108 182.713 -15.379 15.216 1.00 0.00 O ATOM 1756 NE2 GLN A 108 184.838 -16.013 15.559 1.00 0.00 N ATOM 0 H GLN A 108 184.340 -12.475 11.053 1.00 0.00 H new ATOM 0 HA GLN A 108 186.194 -13.065 12.120 1.00 0.00 H new ATOM 0 HB2 GLN A 108 184.890 -15.794 12.508 1.00 0.00 H new ATOM 0 HB3 GLN A 108 186.266 -15.175 13.400 1.00 0.00 H new ATOM 0 HG2 GLN A 108 184.909 -13.452 14.440 1.00 0.00 H new ATOM 0 HG3 GLN A 108 183.541 -13.837 13.416 1.00 0.00 H new ATOM 0 HE21 GLN A 108 185.822 -15.894 15.317 1.00 0.00 H new ATOM 0 HE22 GLN A 108 184.566 -16.700 16.262 1.00 0.00 H new