USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -2.63 K(o=-2.6,f=-3.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -57:sc= 0.0249 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0647) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0532 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 157:sc= -0.406 (180deg=-1.76!) USER MOD Single : A 111 THR OG1 : rot 92:sc= 0.479 USER MOD Single : A 116 LYS NZ :NH3+ 158:sc= -0.0783 (180deg=-0.73) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.265) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 ASN : amide:sc= -3.29 K(o=-3.3,f=-19!) USER MOD Single : A 139 TYR OH : rot 165:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 155:sc= -0.0996 (180deg=-0.565) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 175.989 16.097 -10.111 1.00 0.00 N ATOM 2 CA LYS A 80 176.453 16.018 -8.695 1.00 0.00 C ATOM 3 C LYS A 80 175.284 15.653 -7.772 1.00 0.00 C ATOM 4 O LYS A 80 174.226 16.251 -7.814 1.00 0.00 O ATOM 5 CB LYS A 80 176.994 17.415 -8.367 1.00 0.00 C ATOM 6 CG LYS A 80 175.894 18.464 -8.559 1.00 0.00 C ATOM 7 CD LYS A 80 176.523 19.858 -8.617 1.00 0.00 C ATOM 8 CE LYS A 80 177.101 20.216 -7.246 1.00 0.00 C ATOM 9 NZ LYS A 80 176.042 21.025 -6.583 1.00 0.00 N ATOM 0 HA LYS A 80 177.214 15.251 -8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.357 17.441 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 80 177.843 17.645 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 80 175.342 18.264 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 80 175.178 18.410 -7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 80 177.309 19.883 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 80 175.775 20.594 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.333 19.321 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 80 178.028 20.782 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 176.364 21.309 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 175.847 21.874 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 175.174 20.458 -6.498 1.00 0.00 H new ATOM 23 N ALA A 81 175.485 14.662 -6.946 1.00 0.00 N ATOM 24 CA ALA A 81 174.420 14.209 -6.004 1.00 0.00 C ATOM 25 C ALA A 81 174.852 14.445 -4.554 1.00 0.00 C ATOM 26 O ALA A 81 176.024 14.614 -4.272 1.00 0.00 O ATOM 27 CB ALA A 81 174.294 12.709 -6.269 1.00 0.00 C ATOM 0 H ALA A 81 176.358 14.138 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 81 173.483 14.746 -6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.529 12.287 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 81 174.014 12.546 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.249 12.223 -6.069 1.00 0.00 H new ATOM 33 N LYS A 82 173.918 14.471 -3.635 1.00 0.00 N ATOM 34 CA LYS A 82 174.277 14.710 -2.208 1.00 0.00 C ATOM 35 C LYS A 82 174.100 13.435 -1.383 1.00 0.00 C ATOM 36 O LYS A 82 173.410 12.512 -1.770 1.00 0.00 O ATOM 37 CB LYS A 82 173.307 15.793 -1.730 1.00 0.00 C ATOM 38 CG LYS A 82 173.504 17.063 -2.562 1.00 0.00 C ATOM 39 CD LYS A 82 172.533 18.144 -2.082 1.00 0.00 C ATOM 40 CE LYS A 82 172.457 19.262 -3.124 1.00 0.00 C ATOM 41 NZ LYS A 82 171.270 18.927 -3.958 1.00 0.00 N ATOM 0 H LYS A 82 172.923 14.337 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 82 175.319 15.011 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 82 172.279 15.441 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.477 16.007 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 82 174.531 17.415 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 82 173.334 16.849 -3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 82 171.544 17.714 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 82 172.865 18.547 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 82 172.345 20.237 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 82 173.364 19.303 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 171.150 19.649 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 171.409 17.997 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 170.421 18.902 -3.359 1.00 0.00 H new ATOM 55 N THR A 83 174.736 13.395 -0.237 1.00 0.00 N ATOM 56 CA THR A 83 174.636 12.192 0.653 1.00 0.00 C ATOM 57 C THR A 83 173.159 11.836 0.871 1.00 0.00 C ATOM 58 O THR A 83 172.797 10.689 1.037 1.00 0.00 O ATOM 59 CB THR A 83 175.296 12.609 1.970 1.00 0.00 C ATOM 60 OG1 THR A 83 176.550 13.218 1.695 1.00 0.00 O ATOM 61 CG2 THR A 83 175.509 11.377 2.852 1.00 0.00 C ATOM 0 H THR A 83 175.323 14.147 0.123 1.00 0.00 H new ATOM 0 HA THR A 83 175.120 11.313 0.227 1.00 0.00 H new ATOM 0 HB THR A 83 174.652 13.317 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.974 13.488 2.536 1.00 0.00 H new ATOM 0 HG21 THR A 83 175.979 11.677 3.789 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.547 10.909 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.153 10.666 2.334 1.00 0.00 H new ATOM 69 N GLU A 84 172.311 12.833 0.858 1.00 0.00 N ATOM 70 CA GLU A 84 170.842 12.606 1.048 1.00 0.00 C ATOM 71 C GLU A 84 170.321 11.525 0.093 1.00 0.00 C ATOM 72 O GLU A 84 169.474 10.728 0.450 1.00 0.00 O ATOM 73 CB GLU A 84 170.200 13.952 0.704 1.00 0.00 C ATOM 74 CG GLU A 84 170.537 14.973 1.791 1.00 0.00 C ATOM 75 CD GLU A 84 169.896 16.319 1.447 1.00 0.00 C ATOM 76 OE1 GLU A 84 168.736 16.502 1.778 1.00 0.00 O ATOM 77 OE2 GLU A 84 170.574 17.142 0.855 1.00 0.00 O ATOM 0 H GLU A 84 172.576 13.809 0.722 1.00 0.00 H new ATOM 0 HA GLU A 84 170.613 12.268 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.561 14.302 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.119 13.840 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 84 170.175 14.623 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 84 171.618 15.085 1.877 1.00 0.00 H new ATOM 84 N ASP A 85 170.827 11.496 -1.112 1.00 0.00 N ATOM 85 CA ASP A 85 170.367 10.466 -2.093 1.00 0.00 C ATOM 86 C ASP A 85 170.756 9.072 -1.597 1.00 0.00 C ATOM 87 O ASP A 85 169.966 8.148 -1.626 1.00 0.00 O ATOM 88 CB ASP A 85 171.094 10.798 -3.399 1.00 0.00 C ATOM 89 CG ASP A 85 170.322 10.209 -4.580 1.00 0.00 C ATOM 90 OD1 ASP A 85 169.733 9.153 -4.412 1.00 0.00 O ATOM 91 OD2 ASP A 85 170.330 10.824 -5.634 1.00 0.00 O ATOM 0 H ASP A 85 171.538 12.139 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 85 169.285 10.472 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.184 11.878 -3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.106 10.395 -3.376 1.00 0.00 H new ATOM 96 N PHE A 86 171.973 8.922 -1.144 1.00 0.00 N ATOM 97 CA PHE A 86 172.438 7.594 -0.641 1.00 0.00 C ATOM 98 C PHE A 86 171.837 7.286 0.737 1.00 0.00 C ATOM 99 O PHE A 86 171.512 6.152 1.033 1.00 0.00 O ATOM 100 CB PHE A 86 173.970 7.708 -0.542 1.00 0.00 C ATOM 101 CG PHE A 86 174.622 6.915 -1.659 1.00 0.00 C ATOM 102 CD1 PHE A 86 174.271 5.574 -1.857 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.571 7.519 -2.496 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.865 4.837 -2.890 1.00 0.00 C ATOM 105 CE2 PHE A 86 176.163 6.782 -3.530 1.00 0.00 C ATOM 106 CZ PHE A 86 175.810 5.441 -3.726 1.00 0.00 C ATOM 0 H PHE A 86 172.669 9.666 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 86 172.128 6.786 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.270 8.754 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.309 7.336 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.541 5.107 -1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.846 8.552 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.593 3.803 -3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.892 7.248 -4.176 1.00 0.00 H new ATOM 0 HZ PHE A 86 176.267 4.873 -4.523 1.00 0.00 H new ATOM 116 N VAL A 87 171.718 8.272 1.595 1.00 0.00 N ATOM 117 CA VAL A 87 171.173 8.010 2.968 1.00 0.00 C ATOM 118 C VAL A 87 169.695 7.596 2.905 1.00 0.00 C ATOM 119 O VAL A 87 169.279 6.652 3.548 1.00 0.00 O ATOM 120 CB VAL A 87 171.328 9.340 3.720 1.00 0.00 C ATOM 121 CG1 VAL A 87 170.794 9.194 5.150 1.00 0.00 C ATOM 122 CG2 VAL A 87 172.808 9.732 3.774 1.00 0.00 C ATOM 0 H VAL A 87 171.973 9.242 1.407 1.00 0.00 H new ATOM 0 HA VAL A 87 171.700 7.194 3.462 1.00 0.00 H new ATOM 0 HB VAL A 87 170.763 10.111 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 87 170.907 10.140 5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 87 169.740 8.919 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.356 8.418 5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 87 172.915 10.676 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.371 8.956 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.192 9.843 2.760 1.00 0.00 H new ATOM 132 N LYS A 88 168.901 8.318 2.155 1.00 0.00 N ATOM 133 CA LYS A 88 167.438 8.000 2.068 1.00 0.00 C ATOM 134 C LYS A 88 167.204 6.585 1.528 1.00 0.00 C ATOM 135 O LYS A 88 166.272 5.912 1.918 1.00 0.00 O ATOM 136 CB LYS A 88 166.860 9.037 1.102 1.00 0.00 C ATOM 137 CG LYS A 88 165.367 9.220 1.382 1.00 0.00 C ATOM 138 CD LYS A 88 165.186 10.078 2.636 1.00 0.00 C ATOM 139 CE LYS A 88 163.701 10.386 2.836 1.00 0.00 C ATOM 140 NZ LYS A 88 163.674 11.618 3.672 1.00 0.00 N ATOM 0 H LYS A 88 169.202 9.117 1.597 1.00 0.00 H new ATOM 0 HA LYS A 88 166.966 8.036 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.381 9.987 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.011 8.714 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 88 164.882 9.695 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 88 164.890 8.250 1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 88 165.580 9.555 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 88 165.750 11.005 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 88 163.199 10.545 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 88 163.190 9.561 3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 162.688 11.893 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 164.154 11.434 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 164.162 12.388 3.171 1.00 0.00 H new ATOM 154 N ALA A 89 168.030 6.143 0.620 1.00 0.00 N ATOM 155 CA ALA A 89 167.848 4.779 0.027 1.00 0.00 C ATOM 156 C ALA A 89 167.962 3.678 1.086 1.00 0.00 C ATOM 157 O ALA A 89 167.093 2.831 1.193 1.00 0.00 O ATOM 158 CB ALA A 89 168.968 4.636 -0.999 1.00 0.00 C ATOM 0 H ALA A 89 168.827 6.667 0.259 1.00 0.00 H new ATOM 0 HA ALA A 89 166.857 4.675 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 89 168.901 3.659 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 89 168.872 5.417 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 89 169.933 4.730 -0.500 1.00 0.00 H new ATOM 164 N PHE A 90 169.023 3.662 1.850 1.00 0.00 N ATOM 165 CA PHE A 90 169.187 2.589 2.879 1.00 0.00 C ATOM 166 C PHE A 90 168.298 2.847 4.102 1.00 0.00 C ATOM 167 O PHE A 90 167.566 1.980 4.539 1.00 0.00 O ATOM 168 CB PHE A 90 170.668 2.633 3.264 1.00 0.00 C ATOM 169 CG PHE A 90 171.498 2.103 2.119 1.00 0.00 C ATOM 170 CD1 PHE A 90 171.568 0.725 1.886 1.00 0.00 C ATOM 171 CD2 PHE A 90 172.196 2.989 1.285 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.335 0.232 0.824 1.00 0.00 C ATOM 173 CE2 PHE A 90 172.963 2.494 0.223 1.00 0.00 C ATOM 174 CZ PHE A 90 173.032 1.115 -0.008 1.00 0.00 C ATOM 0 H PHE A 90 169.782 4.343 1.807 1.00 0.00 H new ATOM 0 HA PHE A 90 168.890 1.613 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 90 170.964 3.655 3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 90 170.840 2.036 4.160 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.030 0.041 2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 90 172.142 4.053 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 90 172.389 -0.832 0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.501 3.176 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.623 0.733 -0.828 1.00 0.00 H new ATOM 184 N GLN A 91 168.399 4.013 4.691 1.00 0.00 N ATOM 185 CA GLN A 91 167.610 4.317 5.932 1.00 0.00 C ATOM 186 C GLN A 91 166.126 3.940 5.803 1.00 0.00 C ATOM 187 O GLN A 91 165.525 3.506 6.770 1.00 0.00 O ATOM 188 CB GLN A 91 167.757 5.826 6.140 1.00 0.00 C ATOM 189 CG GLN A 91 169.091 6.119 6.829 1.00 0.00 C ATOM 190 CD GLN A 91 169.054 7.520 7.450 1.00 0.00 C ATOM 191 OE1 GLN A 91 167.994 8.062 7.694 1.00 0.00 O ATOM 192 NE2 GLN A 91 170.175 8.130 7.719 1.00 0.00 N ATOM 0 H GLN A 91 168.996 4.773 4.366 1.00 0.00 H new ATOM 0 HA GLN A 91 167.984 3.733 6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 91 167.710 6.342 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 91 166.933 6.202 6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 91 169.285 5.374 7.600 1.00 0.00 H new ATOM 0 HG3 GLN A 91 169.906 6.051 6.109 1.00 0.00 H new ATOM 0 HE21 GLN A 91 171.065 7.675 7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 91 170.162 9.062 8.134 1.00 0.00 H new ATOM 201 N VAL A 92 165.519 4.101 4.651 1.00 0.00 N ATOM 202 CA VAL A 92 164.067 3.745 4.534 1.00 0.00 C ATOM 203 C VAL A 92 163.870 2.241 4.806 1.00 0.00 C ATOM 204 O VAL A 92 162.889 1.837 5.400 1.00 0.00 O ATOM 205 CB VAL A 92 163.658 4.123 3.103 1.00 0.00 C ATOM 206 CG1 VAL A 92 162.215 3.684 2.832 1.00 0.00 C ATOM 207 CG2 VAL A 92 163.757 5.640 2.937 1.00 0.00 C ATOM 0 H VAL A 92 165.955 4.457 3.801 1.00 0.00 H new ATOM 0 HA VAL A 92 163.451 4.274 5.261 1.00 0.00 H new ATOM 0 HB VAL A 92 164.323 3.623 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 92 161.937 3.957 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 92 162.135 2.604 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 92 161.546 4.178 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 92 163.468 5.915 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 92 163.091 6.128 3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 92 164.783 5.960 3.121 1.00 0.00 H new ATOM 217 N PHE A 93 164.805 1.418 4.392 1.00 0.00 N ATOM 218 CA PHE A 93 164.684 -0.054 4.648 1.00 0.00 C ATOM 219 C PHE A 93 164.869 -0.324 6.145 1.00 0.00 C ATOM 220 O PHE A 93 164.058 -0.994 6.760 1.00 0.00 O ATOM 221 CB PHE A 93 165.811 -0.700 3.838 1.00 0.00 C ATOM 222 CG PHE A 93 165.746 -2.202 3.988 1.00 0.00 C ATOM 223 CD1 PHE A 93 166.420 -2.830 5.041 1.00 0.00 C ATOM 224 CD2 PHE A 93 165.010 -2.965 3.073 1.00 0.00 C ATOM 225 CE1 PHE A 93 166.359 -4.222 5.180 1.00 0.00 C ATOM 226 CE2 PHE A 93 164.949 -4.356 3.211 1.00 0.00 C ATOM 227 CZ PHE A 93 165.624 -4.985 4.264 1.00 0.00 C ATOM 0 H PHE A 93 165.646 1.701 3.889 1.00 0.00 H new ATOM 0 HA PHE A 93 163.711 -0.452 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 93 165.721 -0.425 2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 93 166.777 -0.331 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 93 166.987 -2.241 5.747 1.00 0.00 H new ATOM 0 HD2 PHE A 93 164.489 -2.480 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 93 166.878 -4.707 5.993 1.00 0.00 H new ATOM 0 HE2 PHE A 93 164.381 -4.944 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 93 165.578 -6.059 4.370 1.00 0.00 H new ATOM 237 N ASP A 94 165.919 0.184 6.739 1.00 0.00 N ATOM 238 CA ASP A 94 166.135 -0.061 8.204 1.00 0.00 C ATOM 239 C ASP A 94 165.216 0.852 9.020 1.00 0.00 C ATOM 240 O ASP A 94 165.613 1.904 9.482 1.00 0.00 O ATOM 241 CB ASP A 94 167.618 0.229 8.497 1.00 0.00 C ATOM 242 CG ASP A 94 168.027 1.602 7.956 1.00 0.00 C ATOM 243 OD1 ASP A 94 167.857 2.576 8.669 1.00 0.00 O ATOM 244 OD2 ASP A 94 168.512 1.649 6.837 1.00 0.00 O ATOM 0 H ASP A 94 166.632 0.753 6.282 1.00 0.00 H new ATOM 0 HA ASP A 94 165.897 -1.089 8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.794 0.191 9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 94 168.239 -0.544 8.045 1.00 0.00 H new ATOM 249 N LYS A 95 163.984 0.447 9.187 1.00 0.00 N ATOM 250 CA LYS A 95 163.008 1.275 9.960 1.00 0.00 C ATOM 251 C LYS A 95 163.480 1.462 11.405 1.00 0.00 C ATOM 252 O LYS A 95 163.140 2.439 12.046 1.00 0.00 O ATOM 253 CB LYS A 95 161.696 0.489 9.930 1.00 0.00 C ATOM 254 CG LYS A 95 161.191 0.386 8.488 1.00 0.00 C ATOM 255 CD LYS A 95 160.785 1.773 7.990 1.00 0.00 C ATOM 256 CE LYS A 95 160.020 1.638 6.671 1.00 0.00 C ATOM 257 NZ LYS A 95 159.595 3.024 6.328 1.00 0.00 N ATOM 0 H LYS A 95 163.609 -0.427 8.819 1.00 0.00 H new ATOM 0 HA LYS A 95 162.899 2.271 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 95 161.848 -0.508 10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 95 160.950 0.983 10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 95 161.969 -0.029 7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 95 160.341 -0.294 8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 95 160.163 2.271 8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 95 161.670 2.393 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 95 160.651 1.214 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 95 159.160 0.977 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 159.064 3.013 5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 158.990 3.399 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 160.435 3.629 6.224 1.00 0.00 H new ATOM 271 N GLU A 96 164.255 0.542 11.929 1.00 0.00 N ATOM 272 CA GLU A 96 164.736 0.682 13.339 1.00 0.00 C ATOM 273 C GLU A 96 166.066 1.451 13.394 1.00 0.00 C ATOM 274 O GLU A 96 166.759 1.419 14.392 1.00 0.00 O ATOM 275 CB GLU A 96 164.930 -0.754 13.837 1.00 0.00 C ATOM 276 CG GLU A 96 163.598 -1.506 13.771 1.00 0.00 C ATOM 277 CD GLU A 96 163.734 -2.849 14.491 1.00 0.00 C ATOM 278 OE1 GLU A 96 164.142 -3.803 13.850 1.00 0.00 O ATOM 279 OE2 GLU A 96 163.428 -2.900 15.670 1.00 0.00 O ATOM 0 H GLU A 96 164.574 -0.296 11.443 1.00 0.00 H new ATOM 0 HA GLU A 96 164.029 1.241 13.952 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.677 -1.263 13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.305 -0.747 14.861 1.00 0.00 H new ATOM 0 HG2 GLU A 96 162.810 -0.912 14.233 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.310 -1.666 12.732 1.00 0.00 H new ATOM 286 N SER A 97 166.405 2.169 12.346 1.00 0.00 N ATOM 287 CA SER A 97 167.662 2.988 12.307 1.00 0.00 C ATOM 288 C SER A 97 168.871 2.320 12.980 1.00 0.00 C ATOM 289 O SER A 97 169.672 2.988 13.609 1.00 0.00 O ATOM 290 CB SER A 97 167.303 4.281 13.034 1.00 0.00 C ATOM 291 OG SER A 97 168.166 5.322 12.596 1.00 0.00 O ATOM 0 H SER A 97 165.847 2.222 11.494 1.00 0.00 H new ATOM 0 HA SER A 97 167.976 3.134 11.274 1.00 0.00 H new ATOM 0 HB2 SER A 97 166.265 4.547 12.836 1.00 0.00 H new ATOM 0 HB3 SER A 97 167.397 4.144 14.111 1.00 0.00 H new ATOM 0 HG SER A 97 169.098 5.062 12.752 1.00 0.00 H new ATOM 297 N THR A 98 169.020 1.020 12.857 1.00 0.00 N ATOM 298 CA THR A 98 170.195 0.351 13.501 1.00 0.00 C ATOM 299 C THR A 98 171.486 0.870 12.859 1.00 0.00 C ATOM 300 O THR A 98 172.498 1.025 13.515 1.00 0.00 O ATOM 301 CB THR A 98 170.015 -1.144 13.225 1.00 0.00 C ATOM 302 OG1 THR A 98 169.899 -1.355 11.825 1.00 0.00 O ATOM 303 CG2 THR A 98 168.752 -1.646 13.926 1.00 0.00 C ATOM 0 H THR A 98 168.389 0.403 12.346 1.00 0.00 H new ATOM 0 HA THR A 98 170.257 0.550 14.571 1.00 0.00 H new ATOM 0 HB THR A 98 170.879 -1.690 13.604 1.00 0.00 H new ATOM 0 HG1 THR A 98 169.785 -2.312 11.647 1.00 0.00 H new ATOM 0 HG21 THR A 98 168.625 -2.710 13.729 1.00 0.00 H new ATOM 0 HG22 THR A 98 168.843 -1.484 15.000 1.00 0.00 H new ATOM 0 HG23 THR A 98 167.886 -1.101 13.550 1.00 0.00 H new ATOM 311 N GLY A 99 171.444 1.148 11.583 1.00 0.00 N ATOM 312 CA GLY A 99 172.652 1.673 10.881 1.00 0.00 C ATOM 313 C GLY A 99 173.486 0.527 10.293 1.00 0.00 C ATOM 314 O GLY A 99 174.616 0.731 9.887 1.00 0.00 O ATOM 0 H GLY A 99 170.620 1.033 10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.348 2.352 10.085 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.260 2.250 11.578 1.00 0.00 H new ATOM 318 N LYS A 100 172.952 -0.671 10.236 1.00 0.00 N ATOM 319 CA LYS A 100 173.732 -1.813 9.670 1.00 0.00 C ATOM 320 C LYS A 100 172.880 -2.584 8.656 1.00 0.00 C ATOM 321 O LYS A 100 171.666 -2.593 8.745 1.00 0.00 O ATOM 322 CB LYS A 100 174.062 -2.698 10.872 1.00 0.00 C ATOM 323 CG LYS A 100 174.941 -1.917 11.851 1.00 0.00 C ATOM 324 CD LYS A 100 175.588 -2.886 12.839 1.00 0.00 C ATOM 325 CE LYS A 100 176.433 -2.103 13.846 1.00 0.00 C ATOM 326 NZ LYS A 100 177.722 -1.840 13.145 1.00 0.00 N ATOM 0 H LYS A 100 172.012 -0.905 10.557 1.00 0.00 H new ATOM 0 HA LYS A 100 174.629 -1.482 9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.144 -3.018 11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.578 -3.600 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 100 175.710 -1.368 11.308 1.00 0.00 H new ATOM 0 HG3 LYS A 100 174.342 -1.181 12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 100 174.820 -3.457 13.360 1.00 0.00 H new ATOM 0 HD3 LYS A 100 176.212 -3.603 12.305 1.00 0.00 H new ATOM 0 HE2 LYS A 100 175.943 -1.173 14.134 1.00 0.00 H new ATOM 0 HE3 LYS A 100 176.590 -2.676 14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 178.486 -2.368 13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 177.647 -2.146 12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 177.934 -0.822 13.178 1.00 0.00 H new ATOM 340 N VAL A 101 173.499 -3.237 7.704 1.00 0.00 N ATOM 341 CA VAL A 101 172.713 -4.017 6.697 1.00 0.00 C ATOM 342 C VAL A 101 173.531 -5.211 6.194 1.00 0.00 C ATOM 343 O VAL A 101 174.740 -5.246 6.323 1.00 0.00 O ATOM 344 CB VAL A 101 172.413 -3.041 5.551 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.549 -1.890 6.069 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.726 -2.479 4.992 1.00 0.00 C ATOM 0 H VAL A 101 174.511 -3.264 7.580 1.00 0.00 H new ATOM 0 HA VAL A 101 171.794 -4.419 7.125 1.00 0.00 H new ATOM 0 HB VAL A 101 171.880 -3.570 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.337 -1.198 5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.612 -2.286 6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.081 -1.364 6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.508 -1.787 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.262 -1.954 5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.342 -3.297 4.617 1.00 0.00 H new ATOM 356 N SER A 102 172.877 -6.183 5.610 1.00 0.00 N ATOM 357 CA SER A 102 173.599 -7.378 5.078 1.00 0.00 C ATOM 358 C SER A 102 174.155 -7.074 3.686 1.00 0.00 C ATOM 359 O SER A 102 173.558 -6.342 2.921 1.00 0.00 O ATOM 360 CB SER A 102 172.538 -8.474 4.994 1.00 0.00 C ATOM 361 OG SER A 102 171.364 -7.945 4.393 1.00 0.00 O ATOM 0 H SER A 102 171.866 -6.200 5.478 1.00 0.00 H new ATOM 0 HA SER A 102 174.440 -7.669 5.707 1.00 0.00 H new ATOM 0 HB2 SER A 102 172.912 -9.315 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.311 -8.854 5.990 1.00 0.00 H new ATOM 0 HG SER A 102 170.681 -8.646 4.336 1.00 0.00 H new ATOM 367 N VAL A 103 175.296 -7.624 3.354 1.00 0.00 N ATOM 368 CA VAL A 103 175.899 -7.361 2.007 1.00 0.00 C ATOM 369 C VAL A 103 174.926 -7.761 0.888 1.00 0.00 C ATOM 370 O VAL A 103 174.816 -7.080 -0.114 1.00 0.00 O ATOM 371 CB VAL A 103 177.172 -8.219 1.961 1.00 0.00 C ATOM 372 CG1 VAL A 103 176.812 -9.701 2.108 1.00 0.00 C ATOM 373 CG2 VAL A 103 177.891 -8.000 0.626 1.00 0.00 C ATOM 0 H VAL A 103 175.838 -8.244 3.956 1.00 0.00 H new ATOM 0 HA VAL A 103 176.119 -6.304 1.858 1.00 0.00 H new ATOM 0 HB VAL A 103 177.827 -7.926 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.721 -10.301 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.307 -9.860 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.151 -9.997 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.794 -8.609 0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.232 -8.286 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.159 -6.948 0.526 1.00 0.00 H new ATOM 383 N GLY A 104 174.231 -8.862 1.045 1.00 0.00 N ATOM 384 CA GLY A 104 173.277 -9.309 -0.015 1.00 0.00 C ATOM 385 C GLY A 104 172.207 -8.241 -0.251 1.00 0.00 C ATOM 386 O GLY A 104 171.836 -7.960 -1.375 1.00 0.00 O ATOM 0 H GLY A 104 174.284 -9.470 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.817 -9.503 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.806 -10.246 0.282 1.00 0.00 H new ATOM 390 N ASP A 105 171.709 -7.644 0.804 1.00 0.00 N ATOM 391 CA ASP A 105 170.663 -6.589 0.653 1.00 0.00 C ATOM 392 C ASP A 105 171.300 -5.253 0.271 1.00 0.00 C ATOM 393 O ASP A 105 170.795 -4.529 -0.566 1.00 0.00 O ATOM 394 CB ASP A 105 169.991 -6.492 2.025 1.00 0.00 C ATOM 395 CG ASP A 105 168.736 -5.620 1.924 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.739 -4.699 1.124 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.794 -5.891 2.649 1.00 0.00 O ATOM 0 H ASP A 105 171.984 -7.844 1.766 1.00 0.00 H new ATOM 0 HA ASP A 105 169.949 -6.832 -0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.726 -7.487 2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.684 -6.066 2.751 1.00 0.00 H new ATOM 402 N LEU A 106 172.407 -4.922 0.888 1.00 0.00 N ATOM 403 CA LEU A 106 173.085 -3.626 0.577 1.00 0.00 C ATOM 404 C LEU A 106 173.475 -3.582 -0.904 1.00 0.00 C ATOM 405 O LEU A 106 173.198 -2.620 -1.594 1.00 0.00 O ATOM 406 CB LEU A 106 174.333 -3.600 1.465 1.00 0.00 C ATOM 407 CG LEU A 106 175.093 -2.289 1.248 1.00 0.00 C ATOM 408 CD1 LEU A 106 175.799 -1.888 2.544 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.131 -2.480 0.140 1.00 0.00 C ATOM 0 H LEU A 106 172.871 -5.494 1.594 1.00 0.00 H new ATOM 0 HA LEU A 106 172.441 -2.767 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.048 -3.697 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 106 174.976 -4.448 1.230 1.00 0.00 H new ATOM 0 HG LEU A 106 174.392 -1.506 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.340 -0.955 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.060 -1.753 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 106 176.500 -2.671 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 106 176.673 -1.547 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.832 -3.263 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 106 175.628 -2.766 -0.784 1.00 0.00 H new ATOM 421 N ARG A 107 174.121 -4.611 -1.392 1.00 0.00 N ATOM 422 CA ARG A 107 174.535 -4.619 -2.827 1.00 0.00 C ATOM 423 C ARG A 107 173.303 -4.611 -3.734 1.00 0.00 C ATOM 424 O ARG A 107 173.335 -4.077 -4.827 1.00 0.00 O ATOM 425 CB ARG A 107 175.348 -5.904 -3.017 1.00 0.00 C ATOM 426 CG ARG A 107 176.179 -5.805 -4.301 1.00 0.00 C ATOM 427 CD ARG A 107 176.625 -7.206 -4.730 1.00 0.00 C ATOM 428 NE ARG A 107 177.657 -7.611 -3.734 1.00 0.00 N ATOM 429 CZ ARG A 107 178.093 -8.841 -3.711 1.00 0.00 C ATOM 430 NH1 ARG A 107 177.251 -9.830 -3.586 1.00 0.00 N ATOM 431 NH2 ARG A 107 179.371 -9.082 -3.813 1.00 0.00 N ATOM 0 H ARG A 107 174.379 -5.443 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 107 175.122 -3.738 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 107 176.003 -6.061 -2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.680 -6.764 -3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.591 -5.341 -5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.049 -5.169 -4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 107 175.786 -7.902 -4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 107 177.035 -7.196 -5.740 1.00 0.00 H new ATOM 0 HE ARG A 107 178.022 -6.928 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 107 176.252 -9.642 -3.506 1.00 0.00 H new ATOM 0 HH12 ARG A 107 177.592 -10.791 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 107 180.030 -8.309 -3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 107 179.712 -10.043 -3.795 1.00 0.00 H new ATOM 445 N TYR A 108 172.219 -5.212 -3.294 1.00 0.00 N ATOM 446 CA TYR A 108 170.993 -5.245 -4.146 1.00 0.00 C ATOM 447 C TYR A 108 170.409 -3.839 -4.298 1.00 0.00 C ATOM 448 O TYR A 108 170.098 -3.408 -5.394 1.00 0.00 O ATOM 449 CB TYR A 108 170.013 -6.171 -3.423 1.00 0.00 C ATOM 450 CG TYR A 108 168.772 -6.349 -4.264 1.00 0.00 C ATOM 451 CD1 TYR A 108 167.691 -5.472 -4.112 1.00 0.00 C ATOM 452 CD2 TYR A 108 168.702 -7.391 -5.197 1.00 0.00 C ATOM 453 CE1 TYR A 108 166.541 -5.638 -4.893 1.00 0.00 C ATOM 454 CE2 TYR A 108 167.551 -7.556 -5.977 1.00 0.00 C ATOM 455 CZ TYR A 108 166.471 -6.679 -5.825 1.00 0.00 C ATOM 456 OH TYR A 108 165.337 -6.843 -6.594 1.00 0.00 O ATOM 0 H TYR A 108 172.134 -5.676 -2.390 1.00 0.00 H new ATOM 0 HA TYR A 108 171.208 -5.603 -5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.480 -7.138 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.750 -5.752 -2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 108 167.744 -4.668 -3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 108 169.536 -8.067 -5.315 1.00 0.00 H new ATOM 0 HE1 TYR A 108 165.707 -4.962 -4.776 1.00 0.00 H new ATOM 0 HE2 TYR A 108 167.497 -8.360 -6.696 1.00 0.00 H new ATOM 0 HH TYR A 108 165.454 -7.612 -7.190 1.00 0.00 H new ATOM 466 N MET A 109 170.245 -3.123 -3.209 1.00 0.00 N ATOM 467 CA MET A 109 169.666 -1.752 -3.302 1.00 0.00 C ATOM 468 C MET A 109 170.675 -0.786 -3.893 1.00 0.00 C ATOM 469 O MET A 109 170.313 0.143 -4.592 1.00 0.00 O ATOM 470 CB MET A 109 169.349 -1.354 -1.867 1.00 0.00 C ATOM 471 CG MET A 109 167.880 -1.660 -1.564 1.00 0.00 C ATOM 472 SD MET A 109 166.986 -0.124 -1.184 1.00 0.00 S ATOM 473 CE MET A 109 167.451 0.804 -2.675 1.00 0.00 C ATOM 0 H MET A 109 170.487 -3.430 -2.267 1.00 0.00 H new ATOM 0 HA MET A 109 168.785 -1.730 -3.943 1.00 0.00 H new ATOM 0 HB2 MET A 109 169.994 -1.897 -1.177 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.548 -0.292 -1.721 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.420 -2.155 -2.419 1.00 0.00 H new ATOM 0 HG3 MET A 109 167.810 -2.348 -0.722 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.718 1.589 -2.858 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.434 1.252 -2.533 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.480 0.128 -3.530 1.00 0.00 H new ATOM 483 N LEU A 110 171.941 -0.981 -3.621 1.00 0.00 N ATOM 484 CA LEU A 110 172.976 -0.053 -4.172 1.00 0.00 C ATOM 485 C LEU A 110 172.831 0.029 -5.692 1.00 0.00 C ATOM 486 O LEU A 110 172.857 1.101 -6.264 1.00 0.00 O ATOM 487 CB LEU A 110 174.316 -0.697 -3.790 1.00 0.00 C ATOM 488 CG LEU A 110 175.479 0.156 -4.298 1.00 0.00 C ATOM 489 CD1 LEU A 110 175.600 1.419 -3.442 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.777 -0.648 -4.202 1.00 0.00 C ATOM 0 H LEU A 110 172.302 -1.740 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 110 172.888 0.962 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.380 -0.804 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.379 -1.699 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 110 175.297 0.437 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 110 176.429 2.026 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 110 174.675 1.992 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 110 175.782 1.139 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.608 -0.042 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 110 176.956 -0.927 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 110 176.693 -1.549 -4.810 1.00 0.00 H new ATOM 502 N THR A 111 172.650 -1.095 -6.337 1.00 0.00 N ATOM 503 CA THR A 111 172.487 -1.092 -7.825 1.00 0.00 C ATOM 504 C THR A 111 171.170 -0.414 -8.235 1.00 0.00 C ATOM 505 O THR A 111 170.987 -0.035 -9.376 1.00 0.00 O ATOM 506 CB THR A 111 172.464 -2.570 -8.226 1.00 0.00 C ATOM 507 OG1 THR A 111 173.588 -3.228 -7.659 1.00 0.00 O ATOM 508 CG2 THR A 111 172.516 -2.688 -9.750 1.00 0.00 C ATOM 0 H THR A 111 172.608 -2.015 -5.899 1.00 0.00 H new ATOM 0 HA THR A 111 173.289 -0.539 -8.314 1.00 0.00 H new ATOM 0 HB THR A 111 171.548 -3.033 -7.860 1.00 0.00 H new ATOM 0 HG1 THR A 111 173.343 -3.600 -6.786 1.00 0.00 H new ATOM 0 HG21 THR A 111 172.500 -3.740 -10.034 1.00 0.00 H new ATOM 0 HG22 THR A 111 171.654 -2.181 -10.184 1.00 0.00 H new ATOM 0 HG23 THR A 111 173.432 -2.227 -10.120 1.00 0.00 H new ATOM 516 N GLY A 112 170.267 -0.241 -7.305 1.00 0.00 N ATOM 517 CA GLY A 112 168.970 0.432 -7.605 1.00 0.00 C ATOM 518 C GLY A 112 169.109 1.954 -7.455 1.00 0.00 C ATOM 519 O GLY A 112 168.244 2.707 -7.856 1.00 0.00 O ATOM 0 H GLY A 112 170.376 -0.542 -6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.652 0.188 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 112 168.197 0.063 -6.931 1.00 0.00 H new ATOM 523 N LEU A 113 170.172 2.404 -6.832 1.00 0.00 N ATOM 524 CA LEU A 113 170.367 3.864 -6.588 1.00 0.00 C ATOM 525 C LEU A 113 171.225 4.536 -7.676 1.00 0.00 C ATOM 526 O LEU A 113 171.618 5.679 -7.528 1.00 0.00 O ATOM 527 CB LEU A 113 171.104 3.915 -5.248 1.00 0.00 C ATOM 528 CG LEU A 113 170.523 5.026 -4.377 1.00 0.00 C ATOM 529 CD1 LEU A 113 171.160 4.959 -2.992 1.00 0.00 C ATOM 530 CD2 LEU A 113 170.826 6.384 -5.008 1.00 0.00 C ATOM 0 H LEU A 113 170.922 1.811 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 113 169.416 4.396 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 113 171.015 2.956 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 113 172.167 4.090 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 113 169.444 4.899 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 113 170.750 5.750 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 113 170.947 3.990 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 113 172.239 5.089 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.410 7.176 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 113 171.905 6.515 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.379 6.432 -6.001 1.00 0.00 H new ATOM 542 N GLY A 114 171.549 3.849 -8.743 1.00 0.00 N ATOM 543 CA GLY A 114 172.414 4.467 -9.801 1.00 0.00 C ATOM 544 C GLY A 114 173.834 3.900 -9.671 1.00 0.00 C ATOM 545 O GLY A 114 174.812 4.545 -9.998 1.00 0.00 O ATOM 0 H GLY A 114 171.254 2.890 -8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 114 172.011 4.253 -10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.429 5.551 -9.691 1.00 0.00 H new ATOM 549 N GLU A 115 173.931 2.679 -9.225 1.00 0.00 N ATOM 550 CA GLU A 115 175.262 2.012 -9.095 1.00 0.00 C ATOM 551 C GLU A 115 175.347 0.838 -10.074 1.00 0.00 C ATOM 552 O GLU A 115 174.556 -0.082 -10.004 1.00 0.00 O ATOM 553 CB GLU A 115 175.339 1.516 -7.648 1.00 0.00 C ATOM 554 CG GLU A 115 175.132 2.693 -6.685 1.00 0.00 C ATOM 555 CD GLU A 115 176.363 3.600 -6.718 1.00 0.00 C ATOM 556 OE1 GLU A 115 177.463 3.074 -6.692 1.00 0.00 O ATOM 557 OE2 GLU A 115 176.185 4.806 -6.769 1.00 0.00 O ATOM 0 H GLU A 115 173.137 2.106 -8.941 1.00 0.00 H new ATOM 0 HA GLU A 115 176.086 2.688 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.580 0.754 -7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 115 176.307 1.050 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 115 174.244 3.257 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 115 174.966 2.324 -5.673 1.00 0.00 H new ATOM 564 N LYS A 116 176.297 0.848 -10.975 1.00 0.00 N ATOM 565 CA LYS A 116 176.415 -0.293 -11.932 1.00 0.00 C ATOM 566 C LYS A 116 177.802 -0.925 -11.838 1.00 0.00 C ATOM 567 O LYS A 116 178.539 -1.007 -12.801 1.00 0.00 O ATOM 568 CB LYS A 116 176.121 0.263 -13.325 1.00 0.00 C ATOM 569 CG LYS A 116 174.625 0.562 -13.449 1.00 0.00 C ATOM 570 CD LYS A 116 174.327 1.119 -14.843 1.00 0.00 C ATOM 571 CE LYS A 116 172.814 1.223 -15.038 1.00 0.00 C ATOM 572 NZ LYS A 116 172.366 2.239 -14.046 1.00 0.00 N ATOM 0 H LYS A 116 176.989 1.589 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 116 175.706 -1.087 -11.699 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.700 1.171 -13.496 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.424 -0.456 -14.087 1.00 0.00 H new ATOM 0 HG2 LYS A 116 174.047 -0.346 -13.278 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.323 1.280 -12.687 1.00 0.00 H new ATOM 0 HD2 LYS A 116 174.788 2.100 -14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 116 174.759 0.471 -15.605 1.00 0.00 H new ATOM 0 HE2 LYS A 116 172.567 1.529 -16.055 1.00 0.00 H new ATOM 0 HE3 LYS A 116 172.327 0.263 -14.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 171.454 2.639 -14.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 172.257 1.790 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 173.073 2.999 -13.984 1.00 0.00 H new ATOM 586 N LEU A 117 178.127 -1.418 -10.673 1.00 0.00 N ATOM 587 CA LEU A 117 179.427 -2.111 -10.460 1.00 0.00 C ATOM 588 C LEU A 117 179.224 -3.598 -10.758 1.00 0.00 C ATOM 589 O LEU A 117 178.152 -4.133 -10.538 1.00 0.00 O ATOM 590 CB LEU A 117 179.765 -1.892 -8.984 1.00 0.00 C ATOM 591 CG LEU A 117 179.894 -0.394 -8.702 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.986 -0.165 -7.192 1.00 0.00 C ATOM 593 CD2 LEU A 117 181.159 0.143 -9.374 1.00 0.00 C ATOM 0 H LEU A 117 177.533 -1.368 -9.845 1.00 0.00 H new ATOM 0 HA LEU A 117 180.228 -1.740 -11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.987 -2.325 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.696 -2.400 -8.735 1.00 0.00 H new ATOM 0 HG LEU A 117 179.021 0.126 -9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 117 180.078 0.902 -6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 117 179.087 -0.549 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.859 -0.685 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 117 181.252 1.210 -9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 117 182.031 -0.378 -8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 117 181.097 -0.020 -10.450 1.00 0.00 H new ATOM 605 N THR A 118 180.230 -4.272 -11.249 1.00 0.00 N ATOM 606 CA THR A 118 180.077 -5.729 -11.549 1.00 0.00 C ATOM 607 C THR A 118 180.909 -6.559 -10.570 1.00 0.00 C ATOM 608 O THR A 118 181.987 -6.149 -10.189 1.00 0.00 O ATOM 609 CB THR A 118 180.602 -5.896 -12.973 1.00 0.00 C ATOM 610 OG1 THR A 118 180.096 -4.850 -13.790 1.00 0.00 O ATOM 611 CG2 THR A 118 180.149 -7.247 -13.532 1.00 0.00 C ATOM 0 H THR A 118 181.149 -3.880 -11.455 1.00 0.00 H new ATOM 0 HA THR A 118 179.045 -6.065 -11.453 1.00 0.00 H new ATOM 0 HB THR A 118 181.691 -5.856 -12.965 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.434 -4.956 -14.704 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.525 -7.365 -14.548 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.539 -8.049 -12.906 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.060 -7.291 -13.540 1.00 0.00 H new ATOM 619 N ASP A 119 180.406 -7.699 -10.127 1.00 0.00 N ATOM 620 CA ASP A 119 181.151 -8.555 -9.129 1.00 0.00 C ATOM 621 C ASP A 119 182.662 -8.590 -9.409 1.00 0.00 C ATOM 622 O ASP A 119 183.464 -8.669 -8.499 1.00 0.00 O ATOM 623 CB ASP A 119 180.554 -9.952 -9.296 1.00 0.00 C ATOM 624 CG ASP A 119 181.065 -10.863 -8.178 1.00 0.00 C ATOM 625 OD1 ASP A 119 181.189 -10.385 -7.062 1.00 0.00 O ATOM 626 OD2 ASP A 119 181.324 -12.022 -8.457 1.00 0.00 O ATOM 0 H ASP A 119 179.504 -8.076 -10.417 1.00 0.00 H new ATOM 0 HA ASP A 119 181.045 -8.162 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.466 -9.900 -9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 119 180.828 -10.362 -10.268 1.00 0.00 H new ATOM 631 N ALA A 120 183.049 -8.478 -10.654 1.00 0.00 N ATOM 632 CA ALA A 120 184.505 -8.445 -10.987 1.00 0.00 C ATOM 633 C ALA A 120 185.139 -7.221 -10.314 1.00 0.00 C ATOM 634 O ALA A 120 186.120 -7.327 -9.604 1.00 0.00 O ATOM 635 CB ALA A 120 184.563 -8.299 -12.510 1.00 0.00 C ATOM 0 H ALA A 120 182.420 -8.408 -11.454 1.00 0.00 H new ATOM 0 HA ALA A 120 185.038 -9.333 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.604 -8.267 -12.833 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.064 -9.149 -12.976 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.063 -7.377 -12.806 1.00 0.00 H new ATOM 641 N GLU A 121 184.560 -6.065 -10.520 1.00 0.00 N ATOM 642 CA GLU A 121 185.091 -4.823 -9.880 1.00 0.00 C ATOM 643 C GLU A 121 184.681 -4.764 -8.400 1.00 0.00 C ATOM 644 O GLU A 121 185.456 -4.378 -7.548 1.00 0.00 O ATOM 645 CB GLU A 121 184.454 -3.672 -10.660 1.00 0.00 C ATOM 646 CG GLU A 121 185.237 -3.434 -11.953 1.00 0.00 C ATOM 647 CD GLU A 121 184.911 -4.538 -12.959 1.00 0.00 C ATOM 648 OE1 GLU A 121 183.759 -4.935 -13.021 1.00 0.00 O ATOM 649 OE2 GLU A 121 185.819 -4.968 -13.652 1.00 0.00 O ATOM 0 H GLU A 121 183.738 -5.928 -11.107 1.00 0.00 H new ATOM 0 HA GLU A 121 186.180 -4.781 -9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.415 -3.906 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.450 -2.766 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 121 184.982 -2.460 -12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 121 186.307 -3.421 -11.745 1.00 0.00 H new ATOM 656 N VAL A 122 183.463 -5.141 -8.100 1.00 0.00 N ATOM 657 CA VAL A 122 182.980 -5.109 -6.681 1.00 0.00 C ATOM 658 C VAL A 122 183.808 -6.063 -5.811 1.00 0.00 C ATOM 659 O VAL A 122 184.070 -5.776 -4.656 1.00 0.00 O ATOM 660 CB VAL A 122 181.510 -5.556 -6.730 1.00 0.00 C ATOM 661 CG1 VAL A 122 180.918 -5.556 -5.314 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.708 -4.587 -7.602 1.00 0.00 C ATOM 0 H VAL A 122 182.778 -5.472 -8.779 1.00 0.00 H new ATOM 0 HA VAL A 122 183.080 -4.116 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 122 181.459 -6.561 -7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.876 -5.874 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.482 -6.243 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 122 180.975 -4.551 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.666 -4.905 -7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.768 -3.584 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.119 -4.581 -8.612 1.00 0.00 H new ATOM 672 N ASP A 123 184.229 -7.185 -6.345 1.00 0.00 N ATOM 673 CA ASP A 123 185.047 -8.132 -5.526 1.00 0.00 C ATOM 674 C ASP A 123 186.372 -7.461 -5.157 1.00 0.00 C ATOM 675 O ASP A 123 186.865 -7.606 -4.055 1.00 0.00 O ATOM 676 CB ASP A 123 185.270 -9.367 -6.404 1.00 0.00 C ATOM 677 CG ASP A 123 185.979 -10.463 -5.601 1.00 0.00 C ATOM 678 OD1 ASP A 123 186.708 -10.127 -4.680 1.00 0.00 O ATOM 679 OD2 ASP A 123 185.782 -11.624 -5.921 1.00 0.00 O ATOM 0 H ASP A 123 184.043 -7.483 -7.303 1.00 0.00 H new ATOM 0 HA ASP A 123 184.555 -8.413 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.314 -9.737 -6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.867 -9.100 -7.276 1.00 0.00 H new ATOM 684 N GLU A 124 186.934 -6.703 -6.067 1.00 0.00 N ATOM 685 CA GLU A 124 188.215 -5.988 -5.769 1.00 0.00 C ATOM 686 C GLU A 124 188.009 -5.042 -4.582 1.00 0.00 C ATOM 687 O GLU A 124 188.794 -5.008 -3.653 1.00 0.00 O ATOM 688 CB GLU A 124 188.533 -5.187 -7.035 1.00 0.00 C ATOM 689 CG GLU A 124 188.921 -6.144 -8.164 1.00 0.00 C ATOM 690 CD GLU A 124 190.303 -6.737 -7.878 1.00 0.00 C ATOM 691 OE1 GLU A 124 191.228 -5.965 -7.687 1.00 0.00 O ATOM 692 OE2 GLU A 124 190.412 -7.952 -7.858 1.00 0.00 O ATOM 0 H GLU A 124 186.561 -6.548 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 124 189.023 -6.672 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.667 -4.594 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.347 -4.489 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 124 188.182 -6.941 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 124 188.931 -5.615 -9.117 1.00 0.00 H new ATOM 699 N LEU A 125 186.942 -4.283 -4.610 1.00 0.00 N ATOM 700 CA LEU A 125 186.650 -3.337 -3.490 1.00 0.00 C ATOM 701 C LEU A 125 186.441 -4.116 -2.190 1.00 0.00 C ATOM 702 O LEU A 125 186.978 -3.781 -1.152 1.00 0.00 O ATOM 703 CB LEU A 125 185.351 -2.638 -3.898 1.00 0.00 C ATOM 704 CG LEU A 125 185.614 -1.732 -5.103 1.00 0.00 C ATOM 705 CD1 LEU A 125 184.288 -1.167 -5.616 1.00 0.00 C ATOM 706 CD2 LEU A 125 186.530 -0.582 -4.684 1.00 0.00 C ATOM 0 H LEU A 125 186.257 -4.278 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 125 187.463 -2.632 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.590 -3.378 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.965 -2.050 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 125 186.093 -2.309 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 125 184.475 -0.522 -6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 125 183.634 -1.987 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 125 183.808 -0.590 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 125 186.718 0.064 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 125 186.051 -0.005 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 125 187.475 -0.984 -4.318 1.00 0.00 H new ATOM 718 N LEU A 126 185.651 -5.157 -2.254 1.00 0.00 N ATOM 719 CA LEU A 126 185.375 -5.989 -1.040 1.00 0.00 C ATOM 720 C LEU A 126 186.664 -6.611 -0.489 1.00 0.00 C ATOM 721 O LEU A 126 186.710 -7.057 0.642 1.00 0.00 O ATOM 722 CB LEU A 126 184.432 -7.094 -1.527 1.00 0.00 C ATOM 723 CG LEU A 126 183.044 -6.506 -1.785 1.00 0.00 C ATOM 724 CD1 LEU A 126 182.215 -7.497 -2.605 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.344 -6.244 -0.448 1.00 0.00 C ATOM 0 H LEU A 126 185.180 -5.470 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 126 184.947 -5.391 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.823 -7.544 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.369 -7.887 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 126 183.143 -5.570 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 126 181.226 -7.079 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.712 -7.687 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 126 182.117 -8.432 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.355 -5.825 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.245 -7.181 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 126 182.933 -5.540 0.139 1.00 0.00 H new ATOM 737 N LYS A 127 187.698 -6.678 -1.293 1.00 0.00 N ATOM 738 CA LYS A 127 188.975 -7.313 -0.834 1.00 0.00 C ATOM 739 C LYS A 127 189.505 -6.638 0.436 1.00 0.00 C ATOM 740 O LYS A 127 190.284 -7.214 1.171 1.00 0.00 O ATOM 741 CB LYS A 127 189.960 -7.088 -1.985 1.00 0.00 C ATOM 742 CG LYS A 127 191.277 -7.805 -1.680 1.00 0.00 C ATOM 743 CD LYS A 127 192.278 -7.540 -2.805 1.00 0.00 C ATOM 744 CE LYS A 127 193.640 -8.125 -2.424 1.00 0.00 C ATOM 745 NZ LYS A 127 193.492 -9.595 -2.608 1.00 0.00 N ATOM 0 H LYS A 127 187.713 -6.320 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 127 188.833 -8.367 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.537 -7.463 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 127 190.138 -6.021 -2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 127 191.681 -7.456 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 127 191.104 -8.876 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 127 191.925 -7.988 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 127 192.367 -6.468 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 127 194.432 -7.726 -3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 127 193.901 -7.880 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 193.698 -10.080 -1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 192.519 -9.812 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 194.156 -9.922 -3.338 1.00 0.00 H new ATOM 759 N GLY A 128 189.092 -5.421 0.697 1.00 0.00 N ATOM 760 CA GLY A 128 189.573 -4.708 1.917 1.00 0.00 C ATOM 761 C GLY A 128 188.411 -4.466 2.890 1.00 0.00 C ATOM 762 O GLY A 128 188.625 -4.096 4.030 1.00 0.00 O ATOM 0 H GLY A 128 188.442 -4.892 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.349 -5.296 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 128 190.024 -3.756 1.635 1.00 0.00 H new ATOM 766 N VAL A 129 187.184 -4.666 2.460 1.00 0.00 N ATOM 767 CA VAL A 129 186.024 -4.439 3.377 1.00 0.00 C ATOM 768 C VAL A 129 185.992 -5.515 4.468 1.00 0.00 C ATOM 769 O VAL A 129 186.162 -6.692 4.216 1.00 0.00 O ATOM 770 CB VAL A 129 184.774 -4.502 2.492 1.00 0.00 C ATOM 771 CG1 VAL A 129 183.524 -4.272 3.345 1.00 0.00 C ATOM 772 CG2 VAL A 129 184.856 -3.417 1.415 1.00 0.00 C ATOM 0 H VAL A 129 186.940 -4.975 1.519 1.00 0.00 H new ATOM 0 HA VAL A 129 186.089 -3.480 3.890 1.00 0.00 H new ATOM 0 HB VAL A 129 184.717 -5.484 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 129 182.638 -4.318 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 129 183.461 -5.043 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 129 183.582 -3.292 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 129 183.967 -3.461 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 129 184.916 -2.437 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 129 185.743 -3.579 0.802 1.00 0.00 H new ATOM 782 N GLU A 130 185.792 -5.089 5.686 1.00 0.00 N ATOM 783 CA GLU A 130 185.763 -6.031 6.842 1.00 0.00 C ATOM 784 C GLU A 130 184.331 -6.320 7.305 1.00 0.00 C ATOM 785 O GLU A 130 183.718 -5.530 7.998 1.00 0.00 O ATOM 786 CB GLU A 130 186.531 -5.307 7.947 1.00 0.00 C ATOM 787 CG GLU A 130 186.786 -6.273 9.105 1.00 0.00 C ATOM 788 CD GLU A 130 187.761 -7.363 8.654 1.00 0.00 C ATOM 789 OE1 GLU A 130 188.643 -7.056 7.870 1.00 0.00 O ATOM 790 OE2 GLU A 130 187.608 -8.488 9.101 1.00 0.00 O ATOM 0 H GLU A 130 185.645 -4.110 5.933 1.00 0.00 H new ATOM 0 HA GLU A 130 186.197 -6.996 6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.477 -4.928 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 130 185.962 -4.445 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 130 187.196 -5.734 9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 130 185.848 -6.722 9.432 1.00 0.00 H new ATOM 797 N VAL A 131 183.817 -7.471 6.951 1.00 0.00 N ATOM 798 CA VAL A 131 182.446 -7.861 7.389 1.00 0.00 C ATOM 799 C VAL A 131 182.540 -8.508 8.776 1.00 0.00 C ATOM 800 O VAL A 131 183.587 -8.988 9.168 1.00 0.00 O ATOM 801 CB VAL A 131 181.955 -8.864 6.336 1.00 0.00 C ATOM 802 CG1 VAL A 131 182.897 -10.073 6.259 1.00 0.00 C ATOM 803 CG2 VAL A 131 180.555 -9.343 6.710 1.00 0.00 C ATOM 0 H VAL A 131 184.295 -8.162 6.372 1.00 0.00 H new ATOM 0 HA VAL A 131 181.761 -7.017 7.467 1.00 0.00 H new ATOM 0 HB VAL A 131 181.937 -8.370 5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 131 182.531 -10.772 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 131 183.898 -9.738 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.932 -10.569 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 131 180.203 -10.056 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 131 180.584 -9.825 7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 131 179.876 -8.491 6.746 1.00 0.00 H new ATOM 813 N ASP A 132 181.468 -8.510 9.527 1.00 0.00 N ATOM 814 CA ASP A 132 181.514 -9.110 10.896 1.00 0.00 C ATOM 815 C ASP A 132 181.058 -10.571 10.878 1.00 0.00 C ATOM 816 O ASP A 132 180.736 -11.129 9.847 1.00 0.00 O ATOM 817 CB ASP A 132 180.556 -8.263 11.733 1.00 0.00 C ATOM 818 CG ASP A 132 181.140 -6.861 11.920 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.352 -6.750 12.008 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.364 -5.920 11.971 1.00 0.00 O ATOM 0 H ASP A 132 180.565 -8.123 9.253 1.00 0.00 H new ATOM 0 HA ASP A 132 182.527 -9.111 11.298 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.585 -8.201 11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.393 -8.732 12.703 1.00 0.00 H new ATOM 825 N SER A 133 181.044 -11.189 12.032 1.00 0.00 N ATOM 826 CA SER A 133 180.627 -12.624 12.133 1.00 0.00 C ATOM 827 C SER A 133 179.114 -12.799 11.903 1.00 0.00 C ATOM 828 O SER A 133 178.619 -13.909 11.885 1.00 0.00 O ATOM 829 CB SER A 133 180.997 -13.044 13.555 1.00 0.00 C ATOM 830 OG SER A 133 182.365 -13.429 13.589 1.00 0.00 O ATOM 0 H SER A 133 181.306 -10.757 12.918 1.00 0.00 H new ATOM 0 HA SER A 133 181.119 -13.231 11.373 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.822 -12.221 14.247 1.00 0.00 H new ATOM 0 HB3 SER A 133 180.366 -13.872 13.878 1.00 0.00 H new ATOM 0 HG SER A 133 182.607 -13.698 14.500 1.00 0.00 H new ATOM 836 N ASN A 134 178.380 -11.727 11.708 1.00 0.00 N ATOM 837 CA ASN A 134 176.913 -11.853 11.459 1.00 0.00 C ATOM 838 C ASN A 134 176.591 -11.555 9.984 1.00 0.00 C ATOM 839 O ASN A 134 175.495 -11.818 9.524 1.00 0.00 O ATOM 840 CB ASN A 134 176.257 -10.826 12.389 1.00 0.00 C ATOM 841 CG ASN A 134 176.765 -9.415 12.063 1.00 0.00 C ATOM 842 OD1 ASN A 134 177.490 -9.216 11.107 1.00 0.00 O ATOM 843 ND2 ASN A 134 176.410 -8.418 12.827 1.00 0.00 N ATOM 0 H ASN A 134 178.737 -10.772 11.711 1.00 0.00 H new ATOM 0 HA ASN A 134 176.546 -12.860 11.656 1.00 0.00 H new ATOM 0 HB2 ASN A 134 175.173 -10.865 12.279 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.481 -11.070 13.428 1.00 0.00 H new ATOM 0 HD21 ASN A 134 176.741 -7.475 12.622 1.00 0.00 H new ATOM 0 HD22 ASN A 134 175.802 -8.582 13.629 1.00 0.00 H new ATOM 850 N GLY A 135 177.531 -11.015 9.243 1.00 0.00 N ATOM 851 CA GLY A 135 177.275 -10.711 7.805 1.00 0.00 C ATOM 852 C GLY A 135 176.720 -9.292 7.662 1.00 0.00 C ATOM 853 O GLY A 135 175.993 -8.993 6.733 1.00 0.00 O ATOM 0 H GLY A 135 178.464 -10.773 9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.198 -10.809 7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.568 -11.431 7.393 1.00 0.00 H new ATOM 857 N GLU A 136 177.048 -8.421 8.586 1.00 0.00 N ATOM 858 CA GLU A 136 176.529 -7.023 8.517 1.00 0.00 C ATOM 859 C GLU A 136 177.653 -6.034 8.202 1.00 0.00 C ATOM 860 O GLU A 136 178.728 -6.090 8.767 1.00 0.00 O ATOM 861 CB GLU A 136 175.946 -6.747 9.903 1.00 0.00 C ATOM 862 CG GLU A 136 174.651 -7.544 10.081 1.00 0.00 C ATOM 863 CD GLU A 136 174.062 -7.271 11.469 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.268 -6.180 11.978 1.00 0.00 O ATOM 865 OE2 GLU A 136 173.414 -8.158 11.998 1.00 0.00 O ATOM 0 H GLU A 136 177.652 -8.620 9.383 1.00 0.00 H new ATOM 0 HA GLU A 136 175.787 -6.907 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.665 -7.025 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.749 -5.681 10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 136 173.933 -7.266 9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.849 -8.609 9.963 1.00 0.00 H new ATOM 872 N ILE A 137 177.389 -5.119 7.307 1.00 0.00 N ATOM 873 CA ILE A 137 178.407 -4.096 6.938 1.00 0.00 C ATOM 874 C ILE A 137 177.783 -2.702 7.046 1.00 0.00 C ATOM 875 O ILE A 137 176.636 -2.497 6.695 1.00 0.00 O ATOM 876 CB ILE A 137 178.801 -4.416 5.494 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.439 -5.808 5.440 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.812 -3.382 4.988 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.360 -6.868 5.204 1.00 0.00 C ATOM 0 H ILE A 137 176.501 -5.037 6.811 1.00 0.00 H new ATOM 0 HA ILE A 137 179.279 -4.111 7.592 1.00 0.00 H new ATOM 0 HB ILE A 137 177.911 -4.389 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.180 -5.847 4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 137 179.964 -6.013 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 137 180.088 -3.616 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.366 -2.388 5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.702 -3.405 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.821 -7.855 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.635 -6.837 6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.854 -6.668 4.259 1.00 0.00 H new ATOM 891 N ASP A 138 178.530 -1.753 7.540 1.00 0.00 N ATOM 892 CA ASP A 138 177.983 -0.370 7.687 1.00 0.00 C ATOM 893 C ASP A 138 177.775 0.252 6.302 1.00 0.00 C ATOM 894 O ASP A 138 178.720 0.517 5.583 1.00 0.00 O ATOM 895 CB ASP A 138 179.045 0.399 8.475 1.00 0.00 C ATOM 896 CG ASP A 138 178.374 1.499 9.299 1.00 0.00 C ATOM 897 OD1 ASP A 138 177.273 1.269 9.772 1.00 0.00 O ATOM 898 OD2 ASP A 138 178.971 2.552 9.445 1.00 0.00 O ATOM 0 H ASP A 138 179.495 -1.873 7.849 1.00 0.00 H new ATOM 0 HA ASP A 138 177.019 -0.352 8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.589 -0.281 9.131 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.774 0.835 7.792 1.00 0.00 H new ATOM 903 N TYR A 139 176.541 0.454 5.912 1.00 0.00 N ATOM 904 CA TYR A 139 176.252 1.021 4.556 1.00 0.00 C ATOM 905 C TYR A 139 176.783 2.457 4.404 1.00 0.00 C ATOM 906 O TYR A 139 177.160 2.865 3.322 1.00 0.00 O ATOM 907 CB TYR A 139 174.714 0.954 4.408 1.00 0.00 C ATOM 908 CG TYR A 139 174.012 2.066 5.166 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.783 1.951 6.542 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.577 3.205 4.477 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.120 2.977 7.228 1.00 0.00 C ATOM 912 CE2 TYR A 139 172.912 4.228 5.163 1.00 0.00 C ATOM 913 CZ TYR A 139 172.685 4.115 6.540 1.00 0.00 C ATOM 914 OH TYR A 139 172.030 5.123 7.216 1.00 0.00 O ATOM 0 H TYR A 139 175.716 0.250 6.477 1.00 0.00 H new ATOM 0 HA TYR A 139 176.756 0.456 3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.450 1.015 3.352 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.358 -0.010 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 139 174.117 1.073 7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.755 3.294 3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 139 172.944 2.889 8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.574 5.104 4.630 1.00 0.00 H new ATOM 0 HH TYR A 139 172.007 5.929 6.659 1.00 0.00 H new ATOM 924 N LYS A 140 176.795 3.228 5.463 1.00 0.00 N ATOM 925 CA LYS A 140 177.279 4.641 5.354 1.00 0.00 C ATOM 926 C LYS A 140 178.795 4.689 5.149 1.00 0.00 C ATOM 927 O LYS A 140 179.312 5.546 4.458 1.00 0.00 O ATOM 928 CB LYS A 140 176.909 5.305 6.682 1.00 0.00 C ATOM 929 CG LYS A 140 175.392 5.472 6.770 1.00 0.00 C ATOM 930 CD LYS A 140 175.059 6.785 7.483 1.00 0.00 C ATOM 931 CE LYS A 140 175.168 6.587 8.997 1.00 0.00 C ATOM 932 NZ LYS A 140 176.546 7.033 9.343 1.00 0.00 N ATOM 0 H LYS A 140 176.492 2.943 6.394 1.00 0.00 H new ATOM 0 HA LYS A 140 176.829 5.147 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 140 177.267 4.699 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.397 6.277 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 140 174.957 5.469 5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 140 174.955 4.632 7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 140 175.742 7.570 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 140 174.052 7.109 7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 140 174.418 7.174 9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 140 175.010 5.544 9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 176.574 7.333 10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 177.212 6.247 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 176.816 7.831 8.734 1.00 0.00 H new ATOM 946 N LYS A 141 179.507 3.787 5.771 1.00 0.00 N ATOM 947 CA LYS A 141 180.998 3.782 5.648 1.00 0.00 C ATOM 948 C LYS A 141 181.448 3.354 4.249 1.00 0.00 C ATOM 949 O LYS A 141 182.349 3.937 3.677 1.00 0.00 O ATOM 950 CB LYS A 141 181.484 2.772 6.689 1.00 0.00 C ATOM 951 CG LYS A 141 181.254 3.335 8.093 1.00 0.00 C ATOM 952 CD LYS A 141 182.342 4.361 8.416 1.00 0.00 C ATOM 953 CE LYS A 141 182.093 4.951 9.807 1.00 0.00 C ATOM 954 NZ LYS A 141 183.241 5.868 10.047 1.00 0.00 N ATOM 0 H LYS A 141 179.121 3.050 6.361 1.00 0.00 H new ATOM 0 HA LYS A 141 181.408 4.779 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 141 180.951 1.828 6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.543 2.561 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 141 180.270 3.801 8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 141 181.270 2.529 8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 141 183.324 3.889 8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 141 182.342 5.154 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 141 181.145 5.487 9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 141 182.047 4.169 10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 183.142 6.311 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 184.129 5.328 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 183.255 6.606 9.314 1.00 0.00 H new ATOM 968 N PHE A 142 180.851 2.318 3.712 1.00 0.00 N ATOM 969 CA PHE A 142 181.276 1.829 2.365 1.00 0.00 C ATOM 970 C PHE A 142 180.878 2.810 1.264 1.00 0.00 C ATOM 971 O PHE A 142 181.539 2.896 0.246 1.00 0.00 O ATOM 972 CB PHE A 142 180.576 0.483 2.171 1.00 0.00 C ATOM 973 CG PHE A 142 181.095 -0.181 0.916 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.469 -0.397 0.757 1.00 0.00 C ATOM 975 CD2 PHE A 142 180.202 -0.586 -0.084 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.952 -1.017 -0.401 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.686 -1.210 -1.243 1.00 0.00 C ATOM 978 CZ PHE A 142 182.060 -1.426 -1.400 1.00 0.00 C ATOM 0 H PHE A 142 180.092 1.793 4.146 1.00 0.00 H new ATOM 0 HA PHE A 142 182.360 1.732 2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.753 -0.159 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.498 0.629 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 142 183.157 -0.085 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 142 179.142 -0.418 0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 142 184.013 -1.180 -0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 142 179.998 -1.524 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.432 -1.908 -2.292 1.00 0.00 H new ATOM 988 N ILE A 143 179.813 3.553 1.446 1.00 0.00 N ATOM 989 CA ILE A 143 179.397 4.525 0.386 1.00 0.00 C ATOM 990 C ILE A 143 180.241 5.802 0.478 1.00 0.00 C ATOM 991 O ILE A 143 180.701 6.316 -0.524 1.00 0.00 O ATOM 992 CB ILE A 143 177.899 4.802 0.612 1.00 0.00 C ATOM 993 CG1 ILE A 143 177.667 5.497 1.968 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.126 3.476 0.568 1.00 0.00 C ATOM 995 CD1 ILE A 143 176.176 5.802 2.152 1.00 0.00 C ATOM 0 H ILE A 143 179.219 3.530 2.275 1.00 0.00 H new ATOM 0 HA ILE A 143 179.555 4.127 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 143 177.542 5.465 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 143 178.019 4.858 2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 143 178.244 6.420 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.065 3.668 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.267 3.005 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.496 2.813 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 143 176.021 6.293 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 143 175.837 6.458 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 143 175.608 4.872 2.124 1.00 0.00 H new ATOM 1007 N GLU A 144 180.462 6.310 1.666 1.00 0.00 N ATOM 1008 CA GLU A 144 181.292 7.546 1.813 1.00 0.00 C ATOM 1009 C GLU A 144 182.715 7.280 1.320 1.00 0.00 C ATOM 1010 O GLU A 144 183.396 8.184 0.875 1.00 0.00 O ATOM 1011 CB GLU A 144 181.297 7.856 3.310 1.00 0.00 C ATOM 1012 CG GLU A 144 179.905 8.329 3.740 1.00 0.00 C ATOM 1013 CD GLU A 144 179.887 8.587 5.250 1.00 0.00 C ATOM 1014 OE1 GLU A 144 180.930 8.922 5.791 1.00 0.00 O ATOM 1015 OE2 GLU A 144 178.829 8.443 5.841 1.00 0.00 O ATOM 0 H GLU A 144 180.104 5.923 2.539 1.00 0.00 H new ATOM 0 HA GLU A 144 180.897 8.378 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 144 181.581 6.968 3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 144 182.038 8.625 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.639 9.239 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 144 179.160 7.577 3.482 1.00 0.00 H new ATOM 1022 N ASP A 145 183.165 6.050 1.374 1.00 0.00 N ATOM 1023 CA ASP A 145 184.540 5.740 0.882 1.00 0.00 C ATOM 1024 C ASP A 145 184.509 5.424 -0.624 1.00 0.00 C ATOM 1025 O ASP A 145 185.537 5.411 -1.275 1.00 0.00 O ATOM 1026 CB ASP A 145 185.025 4.543 1.700 1.00 0.00 C ATOM 1027 CG ASP A 145 186.545 4.420 1.575 1.00 0.00 C ATOM 1028 OD1 ASP A 145 187.009 4.127 0.486 1.00 0.00 O ATOM 1029 OD2 ASP A 145 187.219 4.623 2.571 1.00 0.00 O ATOM 0 H ASP A 145 182.642 5.253 1.736 1.00 0.00 H new ATOM 0 HA ASP A 145 185.216 6.586 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.745 4.667 2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.546 3.630 1.347 1.00 0.00 H new ATOM 1034 N VAL A 146 183.342 5.222 -1.193 1.00 0.00 N ATOM 1035 CA VAL A 146 183.252 4.968 -2.662 1.00 0.00 C ATOM 1036 C VAL A 146 182.943 6.306 -3.350 1.00 0.00 C ATOM 1037 O VAL A 146 183.480 6.631 -4.391 1.00 0.00 O ATOM 1038 CB VAL A 146 182.108 3.955 -2.825 1.00 0.00 C ATOM 1039 CG1 VAL A 146 181.744 3.793 -4.306 1.00 0.00 C ATOM 1040 CG2 VAL A 146 182.557 2.600 -2.274 1.00 0.00 C ATOM 0 H VAL A 146 182.449 5.223 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 146 184.166 4.574 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 146 181.236 4.317 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 146 180.932 3.072 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 146 181.427 4.754 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 146 182.614 3.437 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 146 181.750 1.876 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 146 183.433 2.256 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 146 182.809 2.702 -1.218 1.00 0.00 H new ATOM 1050 N LEU A 147 182.088 7.085 -2.740 1.00 0.00 N ATOM 1051 CA LEU A 147 181.726 8.426 -3.299 1.00 0.00 C ATOM 1052 C LEU A 147 182.964 9.315 -3.479 1.00 0.00 C ATOM 1053 O LEU A 147 182.931 10.284 -4.215 1.00 0.00 O ATOM 1054 CB LEU A 147 180.781 9.047 -2.266 1.00 0.00 C ATOM 1055 CG LEU A 147 179.402 8.394 -2.377 1.00 0.00 C ATOM 1056 CD1 LEU A 147 178.556 8.779 -1.163 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.711 8.879 -3.654 1.00 0.00 C ATOM 0 H LEU A 147 181.618 6.847 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 147 181.269 8.332 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 147 181.181 8.908 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.700 10.121 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 147 179.514 7.310 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 147 177.573 8.314 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 147 179.048 8.436 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 147 178.443 9.863 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.728 8.415 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.599 9.963 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.314 8.606 -4.520 1.00 0.00 H new ATOM 1069 N ARG A 148 184.052 8.999 -2.819 1.00 0.00 N ATOM 1070 CA ARG A 148 185.288 9.835 -2.962 1.00 0.00 C ATOM 1071 C ARG A 148 185.749 9.853 -4.423 1.00 0.00 C ATOM 1072 O ARG A 148 186.169 10.874 -4.935 1.00 0.00 O ATOM 1073 CB ARG A 148 186.341 9.156 -2.083 1.00 0.00 C ATOM 1074 CG ARG A 148 185.971 9.337 -0.611 1.00 0.00 C ATOM 1075 CD ARG A 148 187.201 9.087 0.264 1.00 0.00 C ATOM 1076 NE ARG A 148 187.565 7.662 0.027 1.00 0.00 N ATOM 1077 CZ ARG A 148 188.752 7.229 0.356 1.00 0.00 C ATOM 1078 NH1 ARG A 148 189.755 7.388 -0.464 1.00 0.00 N ATOM 1079 NH2 ARG A 148 188.936 6.641 1.506 1.00 0.00 N ATOM 0 H ARG A 148 184.139 8.201 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 148 185.116 10.870 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 148 186.403 8.095 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 148 187.324 9.585 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 148 185.592 10.345 -0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 148 185.173 8.646 -0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 148 188.020 9.753 -0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 148 186.979 9.267 1.316 1.00 0.00 H new ATOM 0 HE ARG A 148 186.887 7.025 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 148 189.611 7.851 -1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 148 190.682 7.050 -0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 148 188.153 6.520 2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 148 189.863 6.303 1.763 1.00 0.00 H new ATOM 1093 N GLN A 149 185.671 8.732 -5.093 1.00 0.00 N ATOM 1094 CA GLN A 149 186.100 8.677 -6.523 1.00 0.00 C ATOM 1095 C GLN A 149 184.904 8.924 -7.446 1.00 0.00 C ATOM 1096 O GLN A 149 183.927 8.204 -7.321 1.00 0.00 O ATOM 1097 CB GLN A 149 186.647 7.262 -6.722 1.00 0.00 C ATOM 1098 CG GLN A 149 188.061 7.174 -6.147 1.00 0.00 C ATOM 1099 CD GLN A 149 188.652 5.797 -6.452 1.00 0.00 C ATOM 1100 OE1 GLN A 149 188.127 4.789 -6.023 1.00 0.00 O ATOM 1101 NE2 GLN A 149 189.731 5.711 -7.182 1.00 0.00 N ATOM 1102 OXT GLN A 149 184.984 9.830 -8.258 1.00 0.00 O ATOM 0 H GLN A 149 185.328 7.851 -4.711 1.00 0.00 H new ATOM 0 HA GLN A 149 186.844 9.438 -6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 149 185.998 6.538 -6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 149 186.658 7.011 -7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 149 188.689 7.954 -6.577 1.00 0.00 H new ATOM 0 HG3 GLN A 149 188.038 7.341 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 149 190.172 6.557 -7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 149 190.133 4.797 -7.392 1.00 0.00 H new TER 1111 GLN A 149