USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 147 HIS HE2 : A 147 HIS NE2 : A 187 ZNZN :(H bumps) USER MOD NoAdj-H: A 169 HIS HE2 : A 169 HIS NE2 : A 188 ZNZN :(H bumps) USER MOD Set 1.1: A 159 LYS NZ :NH3+ 155:sc= 1.66 (180deg=0.928) USER MOD Set 1.2: B 2 G O2' : rot 36:sc= 1.08 USER MOD Set 2.1: A 150 LYS NZ :NH3+ -179:sc= 0.522 (180deg=0.521) USER MOD Set 2.2: B 4 A O2' : rot 11:sc= 0.251 USER MOD Set 3.1: A 148 HIS : no HD1:sc= -0.585 K(o=-0.58,f=0) USER MOD Set 3.2: B 5 G O2' : rot -150:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot -156:sc= 1.2 USER MOD Single : A 129 MET CE :methyl -160:sc= 0 (180deg=-0.429) USER MOD Single : A 130 GLN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 133:sc= 0.797 (180deg=0.174) USER MOD Single : A 140 TYR OH : rot -159:sc= 0.577 USER MOD Single : A 141 ASN : amide:sc= -1.69 K(o=-1.7,f=-1.1) USER MOD Single : A 153 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0812) USER MOD Single : A 157 GLN : amide:sc= 0.198 X(o=0.2,f=-0.002) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 165 GLN : amide:sc= -0.424! C(o=-0.42!,f=-5.1!) USER MOD Single : A 166 SER OG : rot 106:sc= 1.38 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 177:sc= -2.72 (180deg=-2.75!) USER MOD Single : A 173 SER OG : rot -51:sc= 0.0277 USER MOD Single : A 177 LYS NZ :NH3+ -120:sc= 0.463 (180deg=-0.0478) USER MOD Single : A 179 GLN : amide:sc= -0.54 K(o=-0.54,f=-3!) USER MOD Single : A 180 GLN : amide:sc= -0.0127 K(o=-0.013,f=-0.89) USER MOD Single : A 183 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 185 GLN : amide:sc= 0 K(o=0,f=-0.86!) USER MOD Single : B 1 A O2' : rot 37:sc= -1.26 USER MOD Single : B 1 A O5' : rot 180:sc= 0 USER MOD Single : B 3 G O2' : rot 46:sc= 0.0589 USER MOD Single : B 6 A O2' : rot 54:sc= 0.57 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 136:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 6.990 -11.422 1.946 1.00 0.00 N ATOM 2 CA PRO A 124 7.389 -10.023 2.148 1.00 0.00 C ATOM 3 C PRO A 124 8.531 -9.612 1.229 1.00 0.00 C ATOM 4 O PRO A 124 9.565 -10.278 1.191 1.00 0.00 O ATOM 5 CB PRO A 124 7.759 -9.911 3.624 1.00 0.00 C ATOM 6 CG PRO A 124 6.649 -10.738 4.266 1.00 0.00 C ATOM 7 CD PRO A 124 6.302 -11.784 3.203 1.00 0.00 C ATOM 0 HA PRO A 124 6.579 -9.339 1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 124 8.749 -10.317 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 124 7.758 -8.878 3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 124 6.985 -11.206 5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.786 -10.121 4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.612 -12.776 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.224 -11.822 3.047 1.00 0.00 H new ATOM 15 N LYS A 125 8.339 -8.513 0.495 1.00 0.00 N ATOM 16 CA LYS A 125 9.360 -7.930 -0.366 1.00 0.00 C ATOM 17 C LYS A 125 9.298 -6.410 -0.267 1.00 0.00 C ATOM 18 O LYS A 125 8.271 -5.846 0.108 1.00 0.00 O ATOM 19 CB LYS A 125 9.153 -8.391 -1.814 1.00 0.00 C ATOM 20 CG LYS A 125 9.551 -9.855 -2.022 1.00 0.00 C ATOM 21 CD LYS A 125 11.052 -10.055 -1.805 1.00 0.00 C ATOM 22 CE LYS A 125 11.413 -11.525 -1.992 1.00 0.00 C ATOM 23 NZ LYS A 125 12.853 -11.737 -1.754 1.00 0.00 N ATOM 0 H LYS A 125 7.458 -8.000 0.485 1.00 0.00 H new ATOM 0 HA LYS A 125 10.346 -8.263 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 125 8.106 -8.259 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 125 9.740 -7.759 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.993 -10.488 -1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 125 9.281 -10.168 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 125 11.615 -9.441 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 125 11.330 -9.728 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.831 -12.139 -1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 125 11.154 -11.844 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 13.082 -12.743 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 13.404 -11.166 -2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 13.090 -11.452 -0.782 1.00 0.00 H new ATOM 37 N GLY A 126 10.406 -5.745 -0.604 1.00 0.00 N ATOM 38 CA GLY A 126 10.558 -4.316 -0.380 1.00 0.00 C ATOM 39 C GLY A 126 11.218 -3.589 -1.548 1.00 0.00 C ATOM 40 O GLY A 126 11.340 -4.130 -2.651 1.00 0.00 O ATOM 0 H GLY A 126 11.217 -6.186 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.577 -3.878 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 126 11.152 -4.157 0.520 1.00 0.00 H new ATOM 44 N LYS A 127 11.642 -2.353 -1.277 1.00 0.00 N ATOM 45 CA LYS A 127 12.208 -1.410 -2.235 1.00 0.00 C ATOM 46 C LYS A 127 11.343 -1.250 -3.485 1.00 0.00 C ATOM 47 O LYS A 127 10.226 -1.758 -3.550 1.00 0.00 O ATOM 48 CB LYS A 127 13.653 -1.799 -2.553 1.00 0.00 C ATOM 49 CG LYS A 127 14.474 -1.898 -1.262 1.00 0.00 C ATOM 50 CD LYS A 127 15.965 -2.109 -1.542 1.00 0.00 C ATOM 51 CE LYS A 127 16.569 -0.855 -2.176 1.00 0.00 C ATOM 52 NZ LYS A 127 18.011 -1.026 -2.415 1.00 0.00 N ATOM 0 H LYS A 127 11.596 -1.966 -0.334 1.00 0.00 H new ATOM 0 HA LYS A 127 12.220 -0.421 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 127 13.672 -2.754 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 127 14.098 -1.060 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 127 14.341 -0.988 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 127 14.099 -2.723 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 127 16.487 -2.343 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 127 16.100 -2.962 -2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 127 16.064 -0.640 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.404 0.002 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 18.396 -0.161 -2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 18.493 -1.208 -1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 18.164 -1.830 -3.057 1.00 0.00 H new ATOM 66 N SER A 128 11.859 -0.532 -4.482 1.00 0.00 N ATOM 67 CA SER A 128 11.146 -0.283 -5.729 1.00 0.00 C ATOM 68 C SER A 128 12.128 -0.135 -6.884 1.00 0.00 C ATOM 69 O SER A 128 13.339 -0.260 -6.699 1.00 0.00 O ATOM 70 CB SER A 128 10.305 0.992 -5.581 1.00 0.00 C ATOM 71 OG SER A 128 9.444 1.135 -6.687 1.00 0.00 O ATOM 0 H SER A 128 12.785 -0.107 -4.445 1.00 0.00 H new ATOM 0 HA SER A 128 10.492 -1.128 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 128 9.723 0.948 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 128 10.958 1.861 -5.504 1.00 0.00 H new ATOM 0 HG SER A 128 9.201 2.078 -6.792 1.00 0.00 H new ATOM 77 N MET A 129 11.598 0.132 -8.076 1.00 0.00 N ATOM 78 CA MET A 129 12.377 0.349 -9.275 1.00 0.00 C ATOM 79 C MET A 129 11.624 1.354 -10.142 1.00 0.00 C ATOM 80 O MET A 129 10.398 1.317 -10.227 1.00 0.00 O ATOM 81 CB MET A 129 12.589 -0.977 -10.004 1.00 0.00 C ATOM 82 CG MET A 129 11.268 -1.697 -10.259 1.00 0.00 C ATOM 83 SD MET A 129 11.479 -3.359 -10.945 1.00 0.00 S ATOM 84 CE MET A 129 9.766 -3.941 -10.798 1.00 0.00 C ATOM 0 H MET A 129 10.592 0.203 -8.230 1.00 0.00 H new ATOM 0 HA MET A 129 13.364 0.746 -9.036 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.093 -0.794 -10.953 1.00 0.00 H new ATOM 0 HB3 MET A 129 13.244 -1.617 -9.413 1.00 0.00 H new ATOM 0 HG2 MET A 129 10.713 -1.765 -9.323 1.00 0.00 H new ATOM 0 HG3 MET A 129 10.665 -1.102 -10.945 1.00 0.00 H new ATOM 0 HE1 MET A 129 9.748 -5.030 -10.829 1.00 0.00 H new ATOM 0 HE2 MET A 129 9.345 -3.598 -9.853 1.00 0.00 H new ATOM 0 HE3 MET A 129 9.175 -3.544 -11.623 1.00 0.00 H new ATOM 94 N GLN A 130 12.364 2.262 -10.784 1.00 0.00 N ATOM 95 CA GLN A 130 11.761 3.329 -11.557 1.00 0.00 C ATOM 96 C GLN A 130 11.101 2.794 -12.824 1.00 0.00 C ATOM 97 O GLN A 130 11.468 1.739 -13.337 1.00 0.00 O ATOM 98 CB GLN A 130 12.825 4.368 -11.915 1.00 0.00 C ATOM 99 CG GLN A 130 13.340 5.047 -10.644 1.00 0.00 C ATOM 100 CD GLN A 130 14.419 6.067 -10.982 1.00 0.00 C ATOM 101 OE1 GLN A 130 15.522 5.704 -11.376 1.00 0.00 O ATOM 102 NE2 GLN A 130 14.106 7.348 -10.830 1.00 0.00 N ATOM 0 H GLN A 130 13.384 2.272 -10.778 1.00 0.00 H new ATOM 0 HA GLN A 130 10.985 3.795 -10.950 1.00 0.00 H new ATOM 0 HB2 GLN A 130 13.650 3.889 -12.442 1.00 0.00 H new ATOM 0 HB3 GLN A 130 12.405 5.113 -12.591 1.00 0.00 H new ATOM 0 HG2 GLN A 130 12.515 5.539 -10.128 1.00 0.00 H new ATOM 0 HG3 GLN A 130 13.741 4.298 -9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 130 13.177 7.610 -10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 130 14.794 8.070 -11.043 1.00 0.00 H new ATOM 111 N LYS A 131 10.119 3.549 -13.323 1.00 0.00 N ATOM 112 CA LYS A 131 9.401 3.233 -14.557 1.00 0.00 C ATOM 113 C LYS A 131 8.982 4.534 -15.243 1.00 0.00 C ATOM 114 O LYS A 131 8.455 4.524 -16.354 1.00 0.00 O ATOM 115 CB LYS A 131 8.205 2.343 -14.203 1.00 0.00 C ATOM 116 CG LYS A 131 7.534 1.734 -15.433 1.00 0.00 C ATOM 117 CD LYS A 131 8.497 0.915 -16.294 1.00 0.00 C ATOM 118 CE LYS A 131 9.147 -0.194 -15.466 1.00 0.00 C ATOM 119 NZ LYS A 131 9.980 -1.059 -16.316 1.00 0.00 N ATOM 0 H LYS A 131 9.797 4.407 -12.875 1.00 0.00 H new ATOM 0 HA LYS A 131 10.032 2.688 -15.259 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.537 1.542 -13.542 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.473 2.930 -13.649 1.00 0.00 H new ATOM 0 HG2 LYS A 131 6.710 1.097 -15.113 1.00 0.00 H new ATOM 0 HG3 LYS A 131 7.103 2.532 -16.038 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.960 0.480 -17.137 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.267 1.566 -16.708 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.757 0.245 -14.677 1.00 0.00 H new ATOM 0 HE3 LYS A 131 8.376 -0.790 -14.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.412 -1.805 -15.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.389 -1.493 -17.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 10.728 -0.491 -16.762 1.00 0.00 H new ATOM 133 N ARG A 132 9.231 5.653 -14.561 1.00 0.00 N ATOM 134 CA ARG A 132 9.023 7.010 -15.026 1.00 0.00 C ATOM 135 C ARG A 132 10.134 7.880 -14.446 1.00 0.00 C ATOM 136 O ARG A 132 10.938 7.391 -13.651 1.00 0.00 O ATOM 137 CB ARG A 132 7.650 7.513 -14.587 1.00 0.00 C ATOM 138 CG ARG A 132 6.555 6.788 -15.365 1.00 0.00 C ATOM 139 CD ARG A 132 5.228 7.499 -15.142 1.00 0.00 C ATOM 140 NE ARG A 132 4.141 6.879 -15.908 1.00 0.00 N ATOM 141 CZ ARG A 132 2.886 7.343 -15.927 1.00 0.00 C ATOM 142 NH1 ARG A 132 2.537 8.409 -15.211 1.00 0.00 N ATOM 143 NH2 ARG A 132 1.955 6.747 -16.667 1.00 0.00 N ATOM 0 H ARG A 132 9.606 5.626 -13.613 1.00 0.00 H new ATOM 0 HA ARG A 132 9.053 7.050 -16.115 1.00 0.00 H new ATOM 0 HB2 ARG A 132 7.518 7.348 -13.518 1.00 0.00 H new ATOM 0 HB3 ARG A 132 7.576 8.587 -14.755 1.00 0.00 H new ATOM 0 HG2 ARG A 132 6.798 6.771 -16.427 1.00 0.00 H new ATOM 0 HG3 ARG A 132 6.485 5.751 -15.037 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.980 7.482 -14.081 1.00 0.00 H new ATOM 0 HD3 ARG A 132 5.324 8.546 -15.430 1.00 0.00 H new ATOM 0 HE ARG A 132 4.354 6.047 -16.458 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.231 8.886 -14.636 1.00 0.00 H new ATOM 0 HH12 ARG A 132 1.576 8.749 -15.238 1.00 0.00 H new ATOM 0 HH21 ARG A 132 2.195 5.929 -17.227 1.00 0.00 H new ATOM 0 HH22 ARG A 132 1.001 7.108 -16.675 1.00 0.00 H new ATOM 157 N ARG A 133 10.184 9.155 -14.828 1.00 0.00 N ATOM 158 CA ARG A 133 11.191 10.106 -14.356 1.00 0.00 C ATOM 159 C ARG A 133 10.936 10.534 -12.908 1.00 0.00 C ATOM 160 O ARG A 133 11.207 11.679 -12.544 1.00 0.00 O ATOM 161 CB ARG A 133 11.226 11.320 -15.287 1.00 0.00 C ATOM 162 CG ARG A 133 11.504 10.934 -16.738 1.00 0.00 C ATOM 163 CD ARG A 133 12.852 10.239 -16.849 1.00 0.00 C ATOM 164 NE ARG A 133 13.947 11.089 -16.365 1.00 0.00 N ATOM 165 CZ ARG A 133 15.240 10.774 -16.459 1.00 0.00 C ATOM 166 NH1 ARG A 133 15.636 9.658 -17.069 1.00 0.00 N ATOM 167 NH2 ARG A 133 16.152 11.589 -15.933 1.00 0.00 N ATOM 0 H ARG A 133 9.517 9.563 -15.483 1.00 0.00 H new ATOM 0 HA ARG A 133 12.163 9.612 -14.373 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.273 11.845 -15.230 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.994 12.014 -14.945 1.00 0.00 H new ATOM 0 HG2 ARG A 133 10.716 10.275 -17.104 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.493 11.824 -17.367 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.831 9.312 -16.276 1.00 0.00 H new ATOM 0 HD3 ARG A 133 13.036 9.967 -17.888 1.00 0.00 H new ATOM 0 HE ARG A 133 13.703 11.978 -15.929 1.00 0.00 H new ATOM 0 HH11 ARG A 133 14.946 9.026 -17.475 1.00 0.00 H new ATOM 0 HH12 ARG A 133 16.630 9.435 -17.130 1.00 0.00 H new ATOM 0 HH21 ARG A 133 15.860 12.446 -15.463 1.00 0.00 H new ATOM 0 HH22 ARG A 133 17.143 11.357 -16.000 1.00 0.00 H new ATOM 181 N SER A 134 10.419 9.618 -12.089 1.00 0.00 N ATOM 182 CA SER A 134 9.988 9.901 -10.730 1.00 0.00 C ATOM 183 C SER A 134 10.757 9.080 -9.698 1.00 0.00 C ATOM 184 O SER A 134 11.546 8.204 -10.045 1.00 0.00 O ATOM 185 CB SER A 134 8.492 9.614 -10.619 1.00 0.00 C ATOM 186 OG SER A 134 8.267 8.229 -10.749 1.00 0.00 O ATOM 0 H SER A 134 10.288 8.644 -12.361 1.00 0.00 H new ATOM 0 HA SER A 134 10.192 10.950 -10.518 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.114 9.966 -9.659 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.949 10.155 -11.393 1.00 0.00 H new ATOM 0 HG SER A 134 7.307 8.045 -10.676 1.00 0.00 H new ATOM 192 N LYS A 135 10.521 9.380 -8.417 1.00 0.00 N ATOM 193 CA LYS A 135 11.240 8.804 -7.287 1.00 0.00 C ATOM 194 C LYS A 135 11.039 7.295 -7.130 1.00 0.00 C ATOM 195 O LYS A 135 11.765 6.662 -6.364 1.00 0.00 O ATOM 196 CB LYS A 135 10.825 9.594 -6.042 1.00 0.00 C ATOM 197 CG LYS A 135 11.536 9.107 -4.777 1.00 0.00 C ATOM 198 CD LYS A 135 11.421 10.145 -3.650 1.00 0.00 C ATOM 199 CE LYS A 135 9.969 10.554 -3.381 1.00 0.00 C ATOM 200 NZ LYS A 135 9.163 9.414 -2.911 1.00 0.00 N ATOM 0 H LYS A 135 9.804 10.049 -8.135 1.00 0.00 H new ATOM 0 HA LYS A 135 12.313 8.894 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.045 10.650 -6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 135 9.747 9.510 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 135 11.102 8.162 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 135 12.587 8.917 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 135 11.856 9.737 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 135 12.002 11.029 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 135 9.946 11.348 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 135 9.530 10.960 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 8.607 9.701 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 8.520 9.107 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 9.792 8.628 -2.651 1.00 0.00 H new ATOM 214 N GLY A 136 10.071 6.704 -7.834 1.00 0.00 N ATOM 215 CA GLY A 136 9.866 5.261 -7.811 1.00 0.00 C ATOM 216 C GLY A 136 8.612 4.831 -7.053 1.00 0.00 C ATOM 217 O GLY A 136 8.396 3.642 -6.844 1.00 0.00 O ATOM 0 H GLY A 136 9.415 7.210 -8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.803 4.895 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.735 4.787 -7.356 1.00 0.00 H new ATOM 221 N ASP A 137 7.782 5.794 -6.636 1.00 0.00 N ATOM 222 CA ASP A 137 6.512 5.522 -5.976 1.00 0.00 C ATOM 223 C ASP A 137 5.550 4.801 -6.927 1.00 0.00 C ATOM 224 O ASP A 137 5.856 4.604 -8.105 1.00 0.00 O ATOM 225 CB ASP A 137 5.933 6.840 -5.466 1.00 0.00 C ATOM 226 CG ASP A 137 6.939 7.547 -4.566 1.00 0.00 C ATOM 227 OD1 ASP A 137 6.994 7.187 -3.368 1.00 0.00 O ATOM 228 OD2 ASP A 137 7.651 8.438 -5.075 1.00 0.00 O ATOM 0 H ASP A 137 7.979 6.788 -6.750 1.00 0.00 H new ATOM 0 HA ASP A 137 6.667 4.857 -5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.675 7.482 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.012 6.651 -4.915 1.00 0.00 H new ATOM 233 N ARG A 138 4.379 4.403 -6.418 1.00 0.00 N ATOM 234 CA ARG A 138 3.441 3.599 -7.184 1.00 0.00 C ATOM 235 C ARG A 138 2.020 4.142 -7.088 1.00 0.00 C ATOM 236 O ARG A 138 1.692 4.902 -6.181 1.00 0.00 O ATOM 237 CB ARG A 138 3.490 2.156 -6.653 1.00 0.00 C ATOM 238 CG ARG A 138 4.832 1.486 -6.960 1.00 0.00 C ATOM 239 CD ARG A 138 4.772 0.012 -6.553 1.00 0.00 C ATOM 240 NE ARG A 138 6.104 -0.591 -6.416 1.00 0.00 N ATOM 241 CZ ARG A 138 6.872 -0.521 -5.327 1.00 0.00 C ATOM 242 NH1 ARG A 138 6.524 0.210 -4.270 1.00 0.00 N ATOM 243 NH2 ARG A 138 8.018 -1.197 -5.291 1.00 0.00 N ATOM 0 H ARG A 138 4.064 4.629 -5.475 1.00 0.00 H new ATOM 0 HA ARG A 138 3.728 3.631 -8.235 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.322 2.158 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.683 1.576 -7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.059 1.572 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.634 1.991 -6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.237 -0.078 -5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.201 -0.543 -7.297 1.00 0.00 H new ATOM 0 HE ARG A 138 6.471 -1.104 -7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.650 0.736 -4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.131 0.244 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.302 -1.762 -6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.612 -1.150 -4.463 1.00 0.00 H new ATOM 257 N CYS A 139 1.185 3.739 -8.051 1.00 0.00 N ATOM 258 CA CYS A 139 -0.232 4.037 -8.151 1.00 0.00 C ATOM 259 C CYS A 139 -0.921 3.781 -6.814 1.00 0.00 C ATOM 260 O CYS A 139 -0.998 2.644 -6.353 1.00 0.00 O ATOM 261 CB CYS A 139 -0.802 3.175 -9.283 1.00 0.00 C ATOM 262 SG CYS A 139 -2.608 3.092 -9.223 1.00 0.00 S ATOM 0 H CYS A 139 1.509 3.160 -8.826 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.404 5.088 -8.383 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.489 3.584 -10.244 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.390 2.168 -9.216 1.00 0.00 H new ATOM 267 N TYR A 140 -1.426 4.848 -6.193 1.00 0.00 N ATOM 268 CA TYR A 140 -2.105 4.777 -4.905 1.00 0.00 C ATOM 269 C TYR A 140 -3.444 4.041 -5.002 1.00 0.00 C ATOM 270 O TYR A 140 -4.184 4.000 -4.020 1.00 0.00 O ATOM 271 CB TYR A 140 -2.353 6.186 -4.369 1.00 0.00 C ATOM 272 CG TYR A 140 -1.128 7.039 -4.115 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.161 6.485 -4.010 1.00 0.00 C ATOM 274 CD2 TYR A 140 -1.309 8.422 -3.978 1.00 0.00 C ATOM 275 CE1 TYR A 140 1.261 7.319 -3.734 1.00 0.00 C ATOM 276 CE2 TYR A 140 -0.219 9.259 -3.717 1.00 0.00 C ATOM 277 CZ TYR A 140 1.071 8.706 -3.579 1.00 0.00 C ATOM 278 OH TYR A 140 2.130 9.520 -3.292 1.00 0.00 O ATOM 0 H TYR A 140 -1.373 5.792 -6.576 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.457 4.220 -4.228 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.994 6.712 -5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.910 6.103 -3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 140 0.306 5.423 -4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -2.298 8.845 -4.075 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.250 6.896 -3.641 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -0.365 10.325 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 140 1.803 10.353 -2.892 1.00 0.00 H new ATOM 288 N ASN A 141 -3.773 3.466 -6.165 1.00 0.00 N ATOM 289 CA ASN A 141 -5.055 2.816 -6.370 1.00 0.00 C ATOM 290 C ASN A 141 -4.904 1.329 -6.679 1.00 0.00 C ATOM 291 O ASN A 141 -5.798 0.561 -6.342 1.00 0.00 O ATOM 292 CB ASN A 141 -5.788 3.552 -7.494 1.00 0.00 C ATOM 293 CG ASN A 141 -7.187 3.017 -7.746 1.00 0.00 C ATOM 294 OD1 ASN A 141 -8.172 3.647 -7.366 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.302 1.858 -8.386 1.00 0.00 N ATOM 0 H ASN A 141 -3.158 3.443 -6.978 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.637 2.869 -5.450 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.850 4.611 -7.246 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.205 3.473 -8.412 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.226 1.469 -8.574 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.466 1.358 -8.689 1.00 0.00 H new ATOM 302 N CYS A 142 -3.808 0.909 -7.318 1.00 0.00 N ATOM 303 CA CYS A 142 -3.584 -0.500 -7.597 1.00 0.00 C ATOM 304 C CYS A 142 -2.270 -0.988 -7.002 1.00 0.00 C ATOM 305 O CYS A 142 -2.197 -2.089 -6.458 1.00 0.00 O ATOM 306 CB CYS A 142 -3.679 -0.748 -9.097 1.00 0.00 C ATOM 307 SG CYS A 142 -2.180 -0.234 -9.956 1.00 0.00 S ATOM 0 H CYS A 142 -3.068 1.528 -7.648 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.364 -1.086 -7.112 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.858 -1.808 -9.280 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.534 -0.206 -9.502 1.00 0.00 H new ATOM 312 N GLY A 143 -1.245 -0.148 -7.115 1.00 0.00 N ATOM 313 CA GLY A 143 0.095 -0.470 -6.665 1.00 0.00 C ATOM 314 C GLY A 143 1.046 -0.666 -7.848 1.00 0.00 C ATOM 315 O GLY A 143 2.112 -1.254 -7.683 1.00 0.00 O ATOM 0 H GLY A 143 -1.328 0.782 -7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.468 0.329 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.070 -1.377 -6.061 1.00 0.00 H new ATOM 319 N GLY A 144 0.668 -0.183 -9.037 1.00 0.00 N ATOM 320 CA GLY A 144 1.509 -0.242 -10.220 1.00 0.00 C ATOM 321 C GLY A 144 2.535 0.880 -10.211 1.00 0.00 C ATOM 322 O GLY A 144 2.409 1.825 -9.444 1.00 0.00 O ATOM 0 H GLY A 144 -0.236 0.261 -9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.017 -1.205 -10.262 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.891 -0.168 -11.115 1.00 0.00 H new ATOM 326 N LEU A 145 3.560 0.790 -11.058 1.00 0.00 N ATOM 327 CA LEU A 145 4.655 1.754 -11.055 1.00 0.00 C ATOM 328 C LEU A 145 4.706 2.504 -12.377 1.00 0.00 C ATOM 329 O LEU A 145 5.261 3.599 -12.458 1.00 0.00 O ATOM 330 CB LEU A 145 6.000 1.070 -10.807 1.00 0.00 C ATOM 331 CG LEU A 145 5.991 -0.449 -11.027 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.426 -0.934 -11.183 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.390 -1.173 -9.827 1.00 0.00 C ATOM 0 H LEU A 145 3.653 0.054 -11.758 1.00 0.00 H new ATOM 0 HA LEU A 145 4.469 2.458 -10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.747 1.515 -11.465 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.314 1.274 -9.783 1.00 0.00 H new ATOM 0 HG LEU A 145 5.396 -0.660 -11.916 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.430 -2.013 -11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.886 -0.441 -12.040 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.990 -0.696 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.396 -2.248 -10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 145 5.979 -0.953 -8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.364 -0.837 -9.675 1.00 0.00 H new ATOM 345 N ASP A 146 4.119 1.908 -13.412 1.00 0.00 N ATOM 346 CA ASP A 146 4.111 2.461 -14.757 1.00 0.00 C ATOM 347 C ASP A 146 3.028 3.529 -14.913 1.00 0.00 C ATOM 348 O ASP A 146 2.903 4.115 -15.985 1.00 0.00 O ATOM 349 CB ASP A 146 3.896 1.300 -15.732 1.00 0.00 C ATOM 350 CG ASP A 146 3.903 1.749 -17.188 1.00 0.00 C ATOM 351 OD1 ASP A 146 5.004 2.091 -17.678 1.00 0.00 O ATOM 352 OD2 ASP A 146 2.816 1.746 -17.806 1.00 0.00 O ATOM 0 H ASP A 146 3.630 1.016 -13.335 1.00 0.00 H new ATOM 0 HA ASP A 146 5.059 2.956 -14.966 1.00 0.00 H new ATOM 0 HB2 ASP A 146 4.677 0.555 -15.582 1.00 0.00 H new ATOM 0 HB3 ASP A 146 2.946 0.815 -15.510 1.00 0.00 H new ATOM 357 N HIS A 147 2.245 3.791 -13.861 1.00 0.00 N ATOM 358 CA HIS A 147 1.144 4.745 -13.919 1.00 0.00 C ATOM 359 C HIS A 147 0.801 5.275 -12.521 1.00 0.00 C ATOM 360 O HIS A 147 1.526 5.016 -11.560 1.00 0.00 O ATOM 361 CB HIS A 147 -0.066 4.060 -14.563 1.00 0.00 C ATOM 362 CG HIS A 147 -0.602 2.896 -13.771 1.00 0.00 C ATOM 363 ND1 HIS A 147 -0.152 1.596 -13.816 1.00 0.00 N ATOM 364 CD2 HIS A 147 -1.625 2.940 -12.866 1.00 0.00 C ATOM 365 CE1 HIS A 147 -0.886 0.880 -12.943 1.00 0.00 C ATOM 366 NE2 HIS A 147 -1.812 1.654 -12.343 1.00 0.00 N ATOM 0 H HIS A 147 2.360 3.347 -12.950 1.00 0.00 H new ATOM 0 HA HIS A 147 1.437 5.604 -14.522 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -0.860 4.795 -14.693 1.00 0.00 H new ATOM 0 HB3 HIS A 147 0.213 3.712 -15.558 1.00 0.00 H new ATOM 0 HD1 HIS A 147 0.601 1.239 -14.404 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.194 3.818 -12.599 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -0.751 -0.174 -12.749 1.00 0.00 H new ATOM 374 N HIS A 148 -0.306 6.018 -12.411 1.00 0.00 N ATOM 375 CA HIS A 148 -0.769 6.601 -11.158 1.00 0.00 C ATOM 376 C HIS A 148 -2.239 6.283 -10.924 1.00 0.00 C ATOM 377 O HIS A 148 -2.929 5.797 -11.817 1.00 0.00 O ATOM 378 CB HIS A 148 -0.577 8.121 -11.197 1.00 0.00 C ATOM 379 CG HIS A 148 0.859 8.559 -11.085 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.447 9.573 -11.842 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.778 8.035 -10.227 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.714 9.642 -11.404 1.00 0.00 C ATOM 383 NE2 HIS A 148 2.939 8.734 -10.437 1.00 0.00 N ATOM 0 H HIS A 148 -0.910 6.231 -13.205 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.186 6.174 -10.342 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.992 8.506 -12.129 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -1.148 8.570 -10.384 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.623 7.231 -9.523 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.454 10.334 -11.778 1.00 0.00 H new ATOM 0 HE2 HIS A 148 3.821 8.590 -9.945 1.00 0.00 H new ATOM 391 N ALA A 149 -2.722 6.563 -9.713 1.00 0.00 N ATOM 392 CA ALA A 149 -4.076 6.240 -9.284 1.00 0.00 C ATOM 393 C ALA A 149 -5.140 6.912 -10.153 1.00 0.00 C ATOM 394 O ALA A 149 -6.264 6.430 -10.231 1.00 0.00 O ATOM 395 CB ALA A 149 -4.229 6.675 -7.828 1.00 0.00 C ATOM 0 H ALA A 149 -2.170 7.029 -8.993 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.228 5.166 -9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.237 6.443 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.503 6.144 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.056 7.748 -7.749 1.00 0.00 H new ATOM 401 N LYS A 150 -4.790 8.022 -10.802 1.00 0.00 N ATOM 402 CA LYS A 150 -5.687 8.725 -11.708 1.00 0.00 C ATOM 403 C LYS A 150 -5.665 8.115 -13.103 1.00 0.00 C ATOM 404 O LYS A 150 -6.587 8.319 -13.887 1.00 0.00 O ATOM 405 CB LYS A 150 -5.251 10.187 -11.766 1.00 0.00 C ATOM 406 CG LYS A 150 -3.806 10.324 -12.254 1.00 0.00 C ATOM 407 CD LYS A 150 -3.240 11.706 -11.925 1.00 0.00 C ATOM 408 CE LYS A 150 -3.145 11.877 -10.409 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.636 13.219 -10.066 1.00 0.00 N ATOM 0 H LYS A 150 -3.872 8.458 -10.711 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.709 8.642 -11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.915 10.739 -12.431 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.346 10.635 -10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.188 9.555 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.766 10.158 -13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.255 11.823 -12.376 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.878 12.481 -12.349 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.127 11.729 -9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.486 11.115 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.563 13.309 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.697 13.354 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.289 13.942 -10.431 1.00 0.00 H new ATOM 423 N GLU A 151 -4.606 7.363 -13.404 1.00 0.00 N ATOM 424 CA GLU A 151 -4.461 6.664 -14.674 1.00 0.00 C ATOM 425 C GLU A 151 -4.879 5.201 -14.549 1.00 0.00 C ATOM 426 O GLU A 151 -4.959 4.489 -15.546 1.00 0.00 O ATOM 427 CB GLU A 151 -2.996 6.705 -15.112 1.00 0.00 C ATOM 428 CG GLU A 151 -2.411 8.112 -15.034 1.00 0.00 C ATOM 429 CD GLU A 151 -1.012 8.177 -15.646 1.00 0.00 C ATOM 430 OE1 GLU A 151 -0.772 7.478 -16.659 1.00 0.00 O ATOM 431 OE2 GLU A 151 -0.183 8.934 -15.101 1.00 0.00 O ATOM 0 H GLU A 151 -3.822 7.223 -12.767 1.00 0.00 H new ATOM 0 HA GLU A 151 -5.101 7.159 -15.405 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -2.411 6.035 -14.482 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -2.913 6.335 -16.134 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.068 8.809 -15.554 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.368 8.431 -13.993 1.00 0.00 H new ATOM 438 N CYS A 152 -5.138 4.758 -13.317 1.00 0.00 N ATOM 439 CA CYS A 152 -5.492 3.387 -13.007 1.00 0.00 C ATOM 440 C CYS A 152 -6.778 2.955 -13.704 1.00 0.00 C ATOM 441 O CYS A 152 -7.543 3.783 -14.192 1.00 0.00 O ATOM 442 CB CYS A 152 -5.566 3.213 -11.496 1.00 0.00 C ATOM 443 SG CYS A 152 -5.112 1.507 -11.125 1.00 0.00 S ATOM 0 H CYS A 152 -5.105 5.362 -12.495 1.00 0.00 H new ATOM 0 HA CYS A 152 -4.714 2.728 -13.393 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.890 3.907 -10.996 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.571 3.430 -11.134 1.00 0.00 H new ATOM 448 N LYS A 153 -7.006 1.641 -13.748 1.00 0.00 N ATOM 449 CA LYS A 153 -8.097 1.060 -14.526 1.00 0.00 C ATOM 450 C LYS A 153 -8.911 0.029 -13.748 1.00 0.00 C ATOM 451 O LYS A 153 -9.827 -0.574 -14.300 1.00 0.00 O ATOM 452 CB LYS A 153 -7.557 0.485 -15.838 1.00 0.00 C ATOM 453 CG LYS A 153 -6.161 -0.109 -15.691 1.00 0.00 C ATOM 454 CD LYS A 153 -6.100 -1.273 -14.706 1.00 0.00 C ATOM 455 CE LYS A 153 -4.646 -1.642 -14.452 1.00 0.00 C ATOM 456 NZ LYS A 153 -3.991 -2.176 -15.659 1.00 0.00 N ATOM 0 H LYS A 153 -6.442 0.954 -13.247 1.00 0.00 H new ATOM 0 HA LYS A 153 -8.795 1.865 -14.754 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -8.238 -0.285 -16.200 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -7.535 1.271 -16.592 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.814 -0.449 -16.667 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.474 0.672 -15.363 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.586 -0.998 -13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.640 -2.131 -15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.104 -0.762 -14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.594 -2.383 -13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.042 -2.524 -15.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -4.558 -2.958 -16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.910 -1.423 -16.372 1.00 0.00 H new ATOM 470 N LEU A 154 -8.572 -0.170 -12.478 1.00 0.00 N ATOM 471 CA LEU A 154 -9.330 -1.030 -11.574 1.00 0.00 C ATOM 472 C LEU A 154 -9.852 -0.198 -10.396 1.00 0.00 C ATOM 473 O LEU A 154 -9.405 0.929 -10.195 1.00 0.00 O ATOM 474 CB LEU A 154 -8.465 -2.243 -11.170 1.00 0.00 C ATOM 475 CG LEU A 154 -7.027 -1.901 -10.804 1.00 0.00 C ATOM 476 CD1 LEU A 154 -7.042 -1.084 -9.529 1.00 0.00 C ATOM 477 CD2 LEU A 154 -6.244 -3.175 -10.534 1.00 0.00 C ATOM 0 H LEU A 154 -7.758 0.264 -12.044 1.00 0.00 H new ATOM 0 HA LEU A 154 -10.212 -1.443 -12.064 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.934 -2.741 -10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.457 -2.957 -11.993 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.565 -1.350 -11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.020 -0.828 -9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.614 -0.170 -9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.503 -1.665 -8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -5.216 -2.922 -10.273 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.705 -3.717 -9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -6.248 -3.801 -11.427 1.00 0.00 H new ATOM 489 N PRO A 155 -10.801 -0.725 -9.608 1.00 0.00 N ATOM 490 CA PRO A 155 -11.368 -0.015 -8.469 1.00 0.00 C ATOM 491 C PRO A 155 -10.296 0.191 -7.401 1.00 0.00 C ATOM 492 O PRO A 155 -9.227 -0.413 -7.488 1.00 0.00 O ATOM 493 CB PRO A 155 -12.511 -0.901 -7.980 1.00 0.00 C ATOM 494 CG PRO A 155 -12.122 -2.299 -8.445 1.00 0.00 C ATOM 495 CD PRO A 155 -11.381 -2.043 -9.753 1.00 0.00 C ATOM 0 HA PRO A 155 -11.733 0.980 -8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.615 -0.856 -6.896 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.466 -0.591 -8.405 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.488 -2.803 -7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -12.998 -2.930 -8.596 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.611 -2.796 -9.923 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -12.060 -2.083 -10.605 1.00 0.00 H new ATOM 503 N PRO A 156 -10.542 1.027 -6.387 1.00 0.00 N ATOM 504 CA PRO A 156 -9.529 1.389 -5.409 1.00 0.00 C ATOM 505 C PRO A 156 -9.095 0.194 -4.577 1.00 0.00 C ATOM 506 O PRO A 156 -9.752 -0.164 -3.601 1.00 0.00 O ATOM 507 CB PRO A 156 -10.147 2.503 -4.561 1.00 0.00 C ATOM 508 CG PRO A 156 -11.646 2.251 -4.695 1.00 0.00 C ATOM 509 CD PRO A 156 -11.795 1.704 -6.112 1.00 0.00 C ATOM 0 HA PRO A 156 -8.614 1.734 -5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -9.820 2.447 -3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.870 3.491 -4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.000 1.538 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.220 3.167 -4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.638 1.017 -6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -11.976 2.506 -6.828 1.00 0.00 H new ATOM 517 N GLN A 157 -7.979 -0.427 -4.963 1.00 0.00 N ATOM 518 CA GLN A 157 -7.392 -1.508 -4.200 1.00 0.00 C ATOM 519 C GLN A 157 -6.819 -0.925 -2.918 1.00 0.00 C ATOM 520 O GLN A 157 -6.511 0.265 -2.862 1.00 0.00 O ATOM 521 CB GLN A 157 -6.252 -2.169 -4.979 1.00 0.00 C ATOM 522 CG GLN A 157 -6.666 -2.520 -6.404 1.00 0.00 C ATOM 523 CD GLN A 157 -7.775 -3.565 -6.451 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.657 -4.643 -5.877 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.863 -3.242 -7.137 1.00 0.00 N ATOM 0 H GLN A 157 -7.465 -0.189 -5.811 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.158 -2.255 -3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.393 -1.498 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.934 -3.073 -4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -7.001 -1.617 -6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.798 -2.891 -6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.923 -2.335 -7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.640 -3.900 -7.201 1.00 0.00 H new ATOM 534 N PRO A 158 -6.671 -1.745 -1.882 1.00 0.00 N ATOM 535 CA PRO A 158 -6.059 -1.307 -0.648 1.00 0.00 C ATOM 536 C PRO A 158 -4.556 -1.220 -0.853 1.00 0.00 C ATOM 537 O PRO A 158 -3.914 -2.181 -1.270 1.00 0.00 O ATOM 538 CB PRO A 158 -6.435 -2.382 0.364 1.00 0.00 C ATOM 539 CG PRO A 158 -6.557 -3.654 -0.486 1.00 0.00 C ATOM 540 CD PRO A 158 -7.062 -3.139 -1.838 1.00 0.00 C ATOM 0 HA PRO A 158 -6.389 -0.324 -0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.674 -2.488 1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.372 -2.146 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.599 -4.164 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.253 -4.366 -0.043 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.620 -3.698 -2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.143 -3.248 -1.922 1.00 0.00 H new ATOM 548 N LYS A 159 -4.002 -0.045 -0.554 1.00 0.00 N ATOM 549 CA LYS A 159 -2.574 0.196 -0.686 1.00 0.00 C ATOM 550 C LYS A 159 -1.855 -0.545 0.433 1.00 0.00 C ATOM 551 O LYS A 159 -1.872 -0.120 1.584 1.00 0.00 O ATOM 552 CB LYS A 159 -2.221 1.693 -0.727 1.00 0.00 C ATOM 553 CG LYS A 159 -3.160 2.653 0.007 1.00 0.00 C ATOM 554 CD LYS A 159 -2.631 4.079 -0.148 1.00 0.00 C ATOM 555 CE LYS A 159 -1.675 4.449 0.984 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.401 4.651 2.253 1.00 0.00 N ATOM 0 H LYS A 159 -4.531 0.759 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.237 -0.190 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.221 1.816 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.173 2.000 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.168 2.579 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.222 2.387 1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.118 4.176 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -3.467 4.778 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -0.933 3.661 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -1.134 5.358 0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -1.757 4.481 3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.758 5.627 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.200 3.988 2.305 1.00 0.00 H new ATOM 570 N LYS A 160 -1.227 -1.664 0.078 1.00 0.00 N ATOM 571 CA LYS A 160 -0.504 -2.490 1.031 1.00 0.00 C ATOM 572 C LYS A 160 0.831 -1.853 1.376 1.00 0.00 C ATOM 573 O LYS A 160 1.305 -0.960 0.677 1.00 0.00 O ATOM 574 CB LYS A 160 -0.228 -3.859 0.410 1.00 0.00 C ATOM 575 CG LYS A 160 -1.517 -4.584 0.039 1.00 0.00 C ATOM 576 CD LYS A 160 -1.262 -5.595 -1.068 1.00 0.00 C ATOM 577 CE LYS A 160 -2.479 -5.589 -1.991 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.246 -6.420 -3.183 1.00 0.00 N ATOM 0 H LYS A 160 -1.207 -2.020 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.110 -2.589 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.389 -3.736 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.342 -4.468 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.921 -5.090 0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.266 -3.862 -0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.360 -5.336 -1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.104 -6.589 -0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.350 -5.959 -1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.703 -4.567 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.089 -6.398 -3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.429 -6.051 -3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.056 -7.400 -2.891 1.00 0.00 H new ATOM 592 N CYS A 161 1.432 -2.330 2.465 1.00 0.00 N ATOM 593 CA CYS A 161 2.789 -1.995 2.840 1.00 0.00 C ATOM 594 C CYS A 161 3.729 -2.403 1.704 1.00 0.00 C ATOM 595 O CYS A 161 3.741 -3.561 1.295 1.00 0.00 O ATOM 596 CB CYS A 161 3.089 -2.746 4.138 1.00 0.00 C ATOM 597 SG CYS A 161 4.824 -2.574 4.608 1.00 0.00 S ATOM 0 H CYS A 161 0.976 -2.969 3.116 1.00 0.00 H new ATOM 0 HA CYS A 161 2.926 -0.926 3.005 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.454 -2.364 4.937 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.846 -3.801 4.015 1.00 0.00 H new ATOM 602 N HIS A 162 4.525 -1.459 1.193 1.00 0.00 N ATOM 603 CA HIS A 162 5.503 -1.714 0.140 1.00 0.00 C ATOM 604 C HIS A 162 6.640 -2.605 0.642 1.00 0.00 C ATOM 605 O HIS A 162 7.658 -2.728 -0.033 1.00 0.00 O ATOM 606 CB HIS A 162 6.078 -0.388 -0.368 1.00 0.00 C ATOM 607 CG HIS A 162 5.147 0.391 -1.246 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.229 -0.167 -2.141 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.068 1.754 -1.316 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.632 0.878 -2.734 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.117 2.041 -2.265 1.00 0.00 N ATOM 0 H HIS A 162 4.506 -0.488 1.504 1.00 0.00 H new ATOM 0 HA HIS A 162 4.995 -2.232 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.352 0.228 0.489 1.00 0.00 H new ATOM 0 HB3 HIS A 162 6.995 -0.591 -0.921 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.640 2.465 -0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 162 2.863 0.796 -3.488 1.00 0.00 H new ATOM 0 HE2 HIS A 162 3.829 2.973 -2.562 1.00 0.00 H new ATOM 619 N PHE A 163 6.483 -3.221 1.816 1.00 0.00 N ATOM 620 CA PHE A 163 7.563 -3.939 2.473 1.00 0.00 C ATOM 621 C PHE A 163 7.160 -5.333 2.944 1.00 0.00 C ATOM 622 O PHE A 163 7.978 -6.253 2.926 1.00 0.00 O ATOM 623 CB PHE A 163 7.941 -3.083 3.661 1.00 0.00 C ATOM 624 CG PHE A 163 9.347 -3.267 4.157 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.663 -4.361 4.971 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.328 -2.333 3.803 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.974 -4.513 5.438 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.631 -2.481 4.278 1.00 0.00 C ATOM 629 CZ PHE A 163 11.958 -3.577 5.082 1.00 0.00 C ATOM 0 H PHE A 163 5.603 -3.233 2.332 1.00 0.00 H new ATOM 0 HA PHE A 163 8.385 -4.098 1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.801 -2.036 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.253 -3.299 4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.903 -5.081 5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 163 10.076 -1.500 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.228 -5.350 6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.385 -1.751 4.025 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.972 -3.704 5.431 1.00 0.00 H new ATOM 639 N CYS A 164 5.902 -5.495 3.364 1.00 0.00 N ATOM 640 CA CYS A 164 5.384 -6.789 3.770 1.00 0.00 C ATOM 641 C CYS A 164 4.020 -7.069 3.136 1.00 0.00 C ATOM 642 O CYS A 164 3.402 -8.102 3.390 1.00 0.00 O ATOM 643 CB CYS A 164 5.281 -6.787 5.288 1.00 0.00 C ATOM 644 SG CYS A 164 3.989 -5.620 5.742 1.00 0.00 S ATOM 0 H CYS A 164 5.225 -4.735 3.429 1.00 0.00 H new ATOM 0 HA CYS A 164 6.055 -7.579 3.432 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.043 -7.785 5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.232 -6.499 5.736 1.00 0.00 H new ATOM 649 N GLN A 165 3.558 -6.132 2.307 1.00 0.00 N ATOM 650 CA GLN A 165 2.274 -6.173 1.619 1.00 0.00 C ATOM 651 C GLN A 165 1.096 -6.300 2.588 1.00 0.00 C ATOM 652 O GLN A 165 0.039 -6.805 2.221 1.00 0.00 O ATOM 653 CB GLN A 165 2.269 -7.229 0.508 1.00 0.00 C ATOM 654 CG GLN A 165 3.266 -6.874 -0.598 1.00 0.00 C ATOM 655 CD GLN A 165 4.719 -6.955 -0.143 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.227 -8.032 0.151 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.400 -5.814 -0.076 1.00 0.00 N ATOM 0 H GLN A 165 4.093 -5.291 2.090 1.00 0.00 H new ATOM 0 HA GLN A 165 2.134 -5.211 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.519 -8.203 0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.268 -7.312 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 165 3.118 -7.548 -1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 165 3.059 -5.865 -0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.948 -4.935 -0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.374 -5.818 0.227 1.00 0.00 H new ATOM 666 N SER A 166 1.268 -5.841 3.834 1.00 0.00 N ATOM 667 CA SER A 166 0.189 -5.807 4.813 1.00 0.00 C ATOM 668 C SER A 166 -0.582 -4.493 4.685 1.00 0.00 C ATOM 669 O SER A 166 -0.021 -3.427 4.927 1.00 0.00 O ATOM 670 CB SER A 166 0.785 -5.906 6.216 1.00 0.00 C ATOM 671 OG SER A 166 1.493 -7.114 6.357 1.00 0.00 O ATOM 0 H SER A 166 2.157 -5.486 4.185 1.00 0.00 H new ATOM 0 HA SER A 166 -0.489 -6.642 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.451 -5.062 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.009 -5.852 6.961 1.00 0.00 H new ATOM 0 HG SER A 166 2.456 -6.932 6.343 1.00 0.00 H new ATOM 677 N ILE A 167 -1.863 -4.562 4.313 1.00 0.00 N ATOM 678 CA ILE A 167 -2.745 -3.395 4.265 1.00 0.00 C ATOM 679 C ILE A 167 -3.010 -2.824 5.656 1.00 0.00 C ATOM 680 O ILE A 167 -3.432 -1.679 5.784 1.00 0.00 O ATOM 681 CB ILE A 167 -4.084 -3.780 3.636 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.741 -4.901 4.450 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.847 -4.216 2.198 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.772 -5.658 3.630 1.00 0.00 C ATOM 0 H ILE A 167 -2.318 -5.432 4.036 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.242 -2.635 3.666 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.758 -2.924 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.975 -5.593 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.218 -4.478 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.797 -4.493 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.400 -3.395 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.174 -5.073 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.216 -6.444 4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.551 -4.971 3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.289 -6.103 2.760 1.00 0.00 H new ATOM 696 N SER A 168 -2.767 -3.635 6.684 1.00 0.00 N ATOM 697 CA SER A 168 -2.873 -3.247 8.081 1.00 0.00 C ATOM 698 C SER A 168 -2.181 -1.910 8.316 1.00 0.00 C ATOM 699 O SER A 168 -2.746 -1.006 8.935 1.00 0.00 O ATOM 700 CB SER A 168 -2.318 -4.359 8.961 1.00 0.00 C ATOM 701 OG SER A 168 -2.505 -4.033 10.323 1.00 0.00 O ATOM 0 H SER A 168 -2.483 -4.607 6.560 1.00 0.00 H new ATOM 0 HA SER A 168 -3.920 -3.106 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.818 -5.300 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 168 -1.257 -4.503 8.755 1.00 0.00 H new ATOM 0 HG SER A 168 -2.147 -4.753 10.884 1.00 0.00 H new ATOM 707 N HIS A 169 -0.946 -1.797 7.824 1.00 0.00 N ATOM 708 CA HIS A 169 -0.107 -0.624 7.995 1.00 0.00 C ATOM 709 C HIS A 169 0.486 -0.208 6.654 1.00 0.00 C ATOM 710 O HIS A 169 0.029 -0.635 5.598 1.00 0.00 O ATOM 711 CB HIS A 169 0.994 -0.933 9.022 1.00 0.00 C ATOM 712 CG HIS A 169 1.827 -2.139 8.673 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.708 -3.391 9.223 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.844 -2.201 7.754 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.624 -4.183 8.650 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.355 -3.497 7.750 1.00 0.00 N ATOM 0 H HIS A 169 -0.498 -2.538 7.285 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.704 0.208 8.368 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.647 -0.065 9.113 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.535 -1.090 9.998 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.040 -3.669 9.942 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.190 -1.384 7.138 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.758 -5.230 8.879 1.00 0.00 H new ATOM 724 N MET A 170 1.520 0.630 6.703 1.00 0.00 N ATOM 725 CA MET A 170 2.244 1.100 5.540 1.00 0.00 C ATOM 726 C MET A 170 3.721 0.829 5.778 1.00 0.00 C ATOM 727 O MET A 170 4.122 0.626 6.920 1.00 0.00 O ATOM 728 CB MET A 170 2.030 2.609 5.420 1.00 0.00 C ATOM 729 CG MET A 170 0.580 3.017 5.191 1.00 0.00 C ATOM 730 SD MET A 170 0.123 3.279 3.458 1.00 0.00 S ATOM 731 CE MET A 170 0.223 1.588 2.821 1.00 0.00 C ATOM 0 H MET A 170 1.881 1.006 7.580 1.00 0.00 H new ATOM 0 HA MET A 170 1.903 0.601 4.633 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.392 3.090 6.329 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.636 2.987 4.597 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.069 2.248 5.610 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.385 3.935 5.745 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.083 1.575 1.775 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.249 1.228 2.904 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.436 0.941 3.400 1.00 0.00 H new ATOM 741 N VAL A 171 4.535 0.823 4.725 1.00 0.00 N ATOM 742 CA VAL A 171 5.978 0.692 4.892 1.00 0.00 C ATOM 743 C VAL A 171 6.478 1.806 5.795 1.00 0.00 C ATOM 744 O VAL A 171 7.520 1.678 6.435 1.00 0.00 O ATOM 745 CB VAL A 171 6.670 0.762 3.535 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.614 2.184 3.005 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.137 0.386 3.651 1.00 0.00 C ATOM 0 H VAL A 171 4.223 0.906 3.757 1.00 0.00 H new ATOM 0 HA VAL A 171 6.207 -0.272 5.346 1.00 0.00 H new ATOM 0 HB VAL A 171 6.157 0.068 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.109 2.231 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.574 2.491 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.119 2.852 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.606 0.444 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.636 1.074 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.223 -0.631 4.034 1.00 0.00 H new ATOM 757 N ALA A 172 5.712 2.900 5.835 1.00 0.00 N ATOM 758 CA ALA A 172 6.015 4.039 6.667 1.00 0.00 C ATOM 759 C ALA A 172 5.955 3.674 8.152 1.00 0.00 C ATOM 760 O ALA A 172 6.333 4.461 9.017 1.00 0.00 O ATOM 761 CB ALA A 172 5.011 5.144 6.360 1.00 0.00 C ATOM 0 H ALA A 172 4.861 3.008 5.283 1.00 0.00 H new ATOM 0 HA ALA A 172 7.029 4.377 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.226 6.014 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.086 5.422 5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.002 4.788 6.571 1.00 0.00 H new ATOM 767 N SER A 173 5.471 2.465 8.421 1.00 0.00 N ATOM 768 CA SER A 173 5.284 1.934 9.756 1.00 0.00 C ATOM 769 C SER A 173 5.546 0.430 9.790 1.00 0.00 C ATOM 770 O SER A 173 5.191 -0.217 10.770 1.00 0.00 O ATOM 771 CB SER A 173 3.843 2.196 10.187 1.00 0.00 C ATOM 772 OG SER A 173 3.751 2.256 11.592 1.00 0.00 O ATOM 0 H SER A 173 5.191 1.812 7.689 1.00 0.00 H new ATOM 0 HA SER A 173 5.987 2.423 10.430 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.492 3.132 9.753 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.194 1.406 9.808 1.00 0.00 H new ATOM 0 HG SER A 173 4.182 1.467 11.982 1.00 0.00 H new ATOM 778 N CYS A 174 6.156 -0.135 8.740 1.00 0.00 N ATOM 779 CA CYS A 174 6.339 -1.583 8.693 1.00 0.00 C ATOM 780 C CYS A 174 7.053 -2.057 9.962 1.00 0.00 C ATOM 781 O CYS A 174 8.084 -1.502 10.341 1.00 0.00 O ATOM 782 CB CYS A 174 7.097 -2.029 7.449 1.00 0.00 C ATOM 783 SG CYS A 174 6.841 -3.813 7.229 1.00 0.00 S ATOM 0 H CYS A 174 6.520 0.375 7.935 1.00 0.00 H new ATOM 0 HA CYS A 174 5.351 -2.041 8.641 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.743 -1.484 6.574 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.159 -1.809 7.553 1.00 0.00 H new ATOM 788 N PRO A 175 6.522 -3.089 10.623 1.00 0.00 N ATOM 789 CA PRO A 175 7.122 -3.655 11.814 1.00 0.00 C ATOM 790 C PRO A 175 8.360 -4.467 11.464 1.00 0.00 C ATOM 791 O PRO A 175 9.157 -4.779 12.348 1.00 0.00 O ATOM 792 CB PRO A 175 6.048 -4.568 12.396 1.00 0.00 C ATOM 793 CG PRO A 175 5.292 -5.025 11.158 1.00 0.00 C ATOM 794 CD PRO A 175 5.308 -3.784 10.273 1.00 0.00 C ATOM 0 HA PRO A 175 7.440 -2.882 12.513 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.481 -5.408 12.939 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.400 -4.038 13.094 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.781 -5.872 10.676 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.276 -5.338 11.398 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.298 -4.053 9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.432 -3.161 10.452 1.00 0.00 H new ATOM 802 N LEU A 176 8.533 -4.814 10.183 1.00 0.00 N ATOM 803 CA LEU A 176 9.660 -5.617 9.756 1.00 0.00 C ATOM 804 C LEU A 176 10.876 -4.735 9.568 1.00 0.00 C ATOM 805 O LEU A 176 11.927 -4.994 10.153 1.00 0.00 O ATOM 806 CB LEU A 176 9.334 -6.282 8.425 1.00 0.00 C ATOM 807 CG LEU A 176 8.039 -7.098 8.481 1.00 0.00 C ATOM 808 CD1 LEU A 176 7.888 -7.805 7.139 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.123 -8.131 9.596 1.00 0.00 C ATOM 0 H LEU A 176 7.899 -4.545 9.430 1.00 0.00 H new ATOM 0 HA LEU A 176 9.864 -6.373 10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.246 -5.518 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.159 -6.934 8.136 1.00 0.00 H new ATOM 0 HG LEU A 176 7.186 -6.449 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 176 6.974 -8.398 7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.838 -7.064 6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.744 -8.459 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.198 -8.707 9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 176 8.962 -8.802 9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.270 -7.625 10.550 1.00 0.00 H new ATOM 821 N LYS A 177 10.738 -3.691 8.743 1.00 0.00 N ATOM 822 CA LYS A 177 11.862 -2.851 8.364 1.00 0.00 C ATOM 823 C LYS A 177 12.569 -2.287 9.587 1.00 0.00 C ATOM 824 O LYS A 177 13.710 -1.848 9.481 1.00 0.00 O ATOM 825 CB LYS A 177 11.383 -1.730 7.451 1.00 0.00 C ATOM 826 CG LYS A 177 10.702 -0.628 8.251 1.00 0.00 C ATOM 827 CD LYS A 177 10.272 0.516 7.335 1.00 0.00 C ATOM 828 CE LYS A 177 11.469 1.196 6.667 1.00 0.00 C ATOM 829 NZ LYS A 177 12.304 1.928 7.636 1.00 0.00 N ATOM 0 H LYS A 177 9.849 -3.413 8.327 1.00 0.00 H new ATOM 0 HA LYS A 177 12.584 -3.464 7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.229 -1.316 6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.689 -2.130 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.832 -1.032 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.383 -0.253 9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.598 0.133 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.713 1.252 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.076 0.445 6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.113 1.886 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.335 2.935 7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.899 1.828 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 13.268 1.538 7.627 1.00 0.00 H new ATOM 843 N ALA A 178 11.891 -2.309 10.730 1.00 0.00 N ATOM 844 CA ALA A 178 12.461 -1.863 11.980 1.00 0.00 C ATOM 845 C ALA A 178 13.739 -2.632 12.324 1.00 0.00 C ATOM 846 O ALA A 178 14.518 -2.202 13.170 1.00 0.00 O ATOM 847 CB ALA A 178 11.418 -2.060 13.072 1.00 0.00 C ATOM 0 H ALA A 178 10.929 -2.639 10.807 1.00 0.00 H new ATOM 0 HA ALA A 178 12.734 -0.811 11.895 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.825 -1.730 14.028 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.529 -1.476 12.835 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.153 -3.115 13.136 1.00 0.00 H new ATOM 853 N GLN A 179 13.945 -3.769 11.655 1.00 0.00 N ATOM 854 CA GLN A 179 15.136 -4.580 11.826 1.00 0.00 C ATOM 855 C GLN A 179 15.573 -5.207 10.501 1.00 0.00 C ATOM 856 O GLN A 179 16.438 -6.082 10.499 1.00 0.00 O ATOM 857 CB GLN A 179 14.889 -5.645 12.897 1.00 0.00 C ATOM 858 CG GLN A 179 13.699 -6.544 12.547 1.00 0.00 C ATOM 859 CD GLN A 179 12.365 -6.009 13.042 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.308 -5.134 13.902 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.280 -6.542 12.497 1.00 0.00 N ATOM 0 H GLN A 179 13.283 -4.148 10.978 1.00 0.00 H new ATOM 0 HA GLN A 179 15.952 -3.939 12.159 1.00 0.00 H new ATOM 0 HB2 GLN A 179 15.784 -6.257 13.014 1.00 0.00 H new ATOM 0 HB3 GLN A 179 14.707 -5.160 13.856 1.00 0.00 H new ATOM 0 HG2 GLN A 179 13.653 -6.666 11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 179 13.865 -7.534 12.973 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.370 -7.267 11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.355 -6.227 12.790 1.00 0.00 H new ATOM 870 N GLN A 180 14.995 -4.777 9.371 1.00 0.00 N ATOM 871 CA GLN A 180 15.462 -5.207 8.055 1.00 0.00 C ATOM 872 C GLN A 180 15.990 -4.024 7.247 1.00 0.00 C ATOM 873 O GLN A 180 16.663 -4.220 6.235 1.00 0.00 O ATOM 874 CB GLN A 180 14.363 -5.900 7.238 1.00 0.00 C ATOM 875 CG GLN A 180 13.367 -6.721 8.045 1.00 0.00 C ATOM 876 CD GLN A 180 12.739 -7.843 7.216 1.00 0.00 C ATOM 877 OE1 GLN A 180 12.814 -7.846 5.991 1.00 0.00 O ATOM 878 NE2 GLN A 180 12.116 -8.803 7.890 1.00 0.00 N ATOM 0 H GLN A 180 14.205 -4.133 9.347 1.00 0.00 H new ATOM 0 HA GLN A 180 16.262 -5.923 8.242 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.815 -5.140 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.836 -6.553 6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.870 -7.150 8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.581 -6.067 8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 180 12.074 -8.766 8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 180 11.679 -9.577 7.389 1.00 0.00 H new ATOM 887 N GLY A 181 15.688 -2.797 7.688 1.00 0.00 N ATOM 888 CA GLY A 181 16.118 -1.591 7.003 1.00 0.00 C ATOM 889 C GLY A 181 15.645 -0.345 7.748 1.00 0.00 C ATOM 890 O GLY A 181 14.927 0.467 7.161 1.00 0.00 O ATOM 0 H GLY A 181 15.139 -2.622 8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.205 -1.581 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.723 -1.584 5.987 1.00 0.00 H new ATOM 894 N PRO A 182 16.029 -0.176 9.024 1.00 0.00 N ATOM 895 CA PRO A 182 15.581 0.922 9.867 1.00 0.00 C ATOM 896 C PRO A 182 16.105 2.279 9.393 1.00 0.00 C ATOM 897 O PRO A 182 15.745 3.312 9.961 1.00 0.00 O ATOM 898 CB PRO A 182 16.077 0.579 11.272 1.00 0.00 C ATOM 899 CG PRO A 182 17.312 -0.282 11.007 1.00 0.00 C ATOM 900 CD PRO A 182 16.923 -1.051 9.752 1.00 0.00 C ATOM 0 HA PRO A 182 14.496 1.024 9.834 1.00 0.00 H new ATOM 0 HB2 PRO A 182 16.325 1.475 11.841 1.00 0.00 H new ATOM 0 HB3 PRO A 182 15.324 0.037 11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 182 18.203 0.326 10.849 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.526 -0.950 11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.801 -1.299 9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.433 -1.991 10.004 1.00 0.00 H new ATOM 908 N SER A 183 16.948 2.287 8.361 1.00 0.00 N ATOM 909 CA SER A 183 17.482 3.505 7.780 1.00 0.00 C ATOM 910 C SER A 183 17.908 3.267 6.332 1.00 0.00 C ATOM 911 O SER A 183 18.008 2.124 5.883 1.00 0.00 O ATOM 912 CB SER A 183 18.678 3.971 8.612 1.00 0.00 C ATOM 913 OG SER A 183 19.157 5.217 8.145 1.00 0.00 O ATOM 0 H SER A 183 17.279 1.437 7.905 1.00 0.00 H new ATOM 0 HA SER A 183 16.710 4.274 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 183 18.388 4.057 9.659 1.00 0.00 H new ATOM 0 HB3 SER A 183 19.474 3.228 8.562 1.00 0.00 H new ATOM 0 HG SER A 183 19.921 5.499 8.691 1.00 0.00 H new ATOM 919 N ALA A 184 18.162 4.354 5.602 1.00 0.00 N ATOM 920 CA ALA A 184 18.631 4.309 4.225 1.00 0.00 C ATOM 921 C ALA A 184 19.560 5.492 3.949 1.00 0.00 C ATOM 922 O ALA A 184 20.014 5.680 2.819 1.00 0.00 O ATOM 923 CB ALA A 184 17.424 4.320 3.282 1.00 0.00 C ATOM 0 H ALA A 184 18.045 5.302 5.960 1.00 0.00 H new ATOM 0 HA ALA A 184 19.198 3.394 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 184 17.769 4.286 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 184 16.797 3.451 3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 184 16.846 5.230 3.442 1.00 0.00 H new ATOM 929 N GLN A 185 19.847 6.290 4.984 1.00 0.00 N ATOM 930 CA GLN A 185 20.724 7.449 4.892 1.00 0.00 C ATOM 931 C GLN A 185 22.159 7.013 4.580 1.00 0.00 C ATOM 932 O GLN A 185 22.586 5.931 4.981 1.00 0.00 O ATOM 933 CB GLN A 185 20.653 8.194 6.225 1.00 0.00 C ATOM 934 CG GLN A 185 21.449 9.501 6.202 1.00 0.00 C ATOM 935 CD GLN A 185 21.204 10.317 7.465 1.00 0.00 C ATOM 936 OE1 GLN A 185 20.536 9.869 8.396 1.00 0.00 O ATOM 937 NE2 GLN A 185 21.745 11.529 7.509 1.00 0.00 N ATOM 0 H GLN A 185 19.468 6.141 5.919 1.00 0.00 H new ATOM 0 HA GLN A 185 20.405 8.105 4.082 1.00 0.00 H new ATOM 0 HB2 GLN A 185 19.611 8.409 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 185 21.035 7.552 7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 185 22.512 9.281 6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 185 21.167 10.087 5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 185 22.294 11.871 6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 185 21.612 12.117 8.331 1.00 0.00 H new ATOM 946 N GLY A 186 22.895 7.863 3.868 1.00 0.00 N ATOM 947 CA GLY A 186 24.282 7.608 3.505 1.00 0.00 C ATOM 948 C GLY A 186 24.730 8.566 2.418 1.00 0.00 C ATOM 949 O GLY A 186 24.488 8.241 1.235 1.00 0.00 O ATOM 950 OXT GLY A 186 25.309 9.613 2.780 1.00 0.00 O ATOM 0 H GLY A 186 22.540 8.756 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 186 24.920 7.719 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 186 24.391 6.580 3.160 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.395 7.489 4.345 1.00 0.00 O ATOM 956 C5' A B 1 10.106 7.004 4.654 1.00 0.00 C ATOM 957 C4' A B 1 9.145 7.320 3.510 1.00 0.00 C ATOM 958 O4' A B 1 9.499 6.548 2.365 1.00 0.00 O ATOM 959 C3' A B 1 7.731 6.909 3.920 1.00 0.00 C ATOM 960 O3' A B 1 6.803 7.714 3.221 1.00 0.00 O ATOM 961 C2' A B 1 7.691 5.491 3.393 1.00 0.00 C ATOM 962 O2' A B 1 6.370 5.066 3.227 1.00 0.00 O ATOM 963 C1' A B 1 8.391 5.724 2.064 1.00 0.00 C ATOM 964 N9 A B 1 8.714 4.462 1.364 1.00 0.00 N ATOM 965 C8 A B 1 8.186 4.046 0.172 1.00 0.00 C ATOM 966 N7 A B 1 8.611 2.882 -0.229 1.00 0.00 N ATOM 967 C5 A B 1 9.469 2.481 0.798 1.00 0.00 C ATOM 968 C6 A B 1 10.247 1.328 1.002 1.00 0.00 C ATOM 969 N6 A B 1 10.300 0.307 0.144 1.00 0.00 N ATOM 970 N1 A B 1 10.972 1.233 2.123 1.00 0.00 N ATOM 971 C2 A B 1 10.922 2.223 2.999 1.00 0.00 C ATOM 972 N3 A B 1 10.245 3.364 2.934 1.00 0.00 N ATOM 973 C4 A B 1 9.525 3.432 1.787 1.00 0.00 C ATOM 0 H5' A B 1 9.748 7.459 5.578 1.00 0.00 H new ATOM 0 H5'' A B 1 10.143 5.928 4.823 1.00 0.00 H new ATOM 0 H4' A B 1 9.195 8.386 3.286 1.00 0.00 H new ATOM 0 H3' A B 1 7.500 7.003 4.981 1.00 0.00 H new ATOM 0 H2' A B 1 8.139 4.723 4.023 1.00 0.00 H new ATOM 0 HO2' A B 1 5.823 5.815 2.912 1.00 0.00 H new ATOM 0 HO5' A B 1 12.007 7.285 5.083 1.00 0.00 H new ATOM 0 H1' A B 1 7.750 6.225 1.338 1.00 0.00 H new ATOM 0 H8 A B 1 7.476 4.634 -0.390 1.00 0.00 H new ATOM 0 H61 A B 1 10.885 -0.503 0.350 1.00 0.00 H new ATOM 0 H62 A B 1 9.755 0.336 -0.718 1.00 0.00 H new ATOM 0 H2 A B 1 11.514 2.084 3.891 1.00 0.00 H new ATOM 986 P G B 2 5.861 8.757 3.987 1.00 0.00 P ATOM 987 OP1 G B 2 6.264 10.125 3.586 1.00 0.00 O ATOM 988 OP2 G B 2 5.828 8.396 5.420 1.00 0.00 O ATOM 989 O5' G B 2 4.411 8.449 3.375 1.00 0.00 O ATOM 990 C5' G B 2 3.863 9.231 2.333 1.00 0.00 C ATOM 991 C4' G B 2 2.498 8.680 1.898 1.00 0.00 C ATOM 992 O4' G B 2 2.684 7.614 0.980 1.00 0.00 O ATOM 993 C3' G B 2 1.637 8.180 3.066 1.00 0.00 C ATOM 994 O3' G B 2 0.636 9.083 3.493 1.00 0.00 O ATOM 995 C2' G B 2 0.938 6.954 2.488 1.00 0.00 C ATOM 996 O2' G B 2 -0.335 7.285 1.982 1.00 0.00 O ATOM 997 C1' G B 2 1.827 6.542 1.320 1.00 0.00 C ATOM 998 N9 G B 2 2.614 5.358 1.702 1.00 0.00 N ATOM 999 C8 G B 2 3.590 5.222 2.665 1.00 0.00 C ATOM 1000 N7 G B 2 3.961 3.992 2.844 1.00 0.00 N ATOM 1001 C5 G B 2 3.270 3.277 1.878 1.00 0.00 C ATOM 1002 C6 G B 2 3.337 1.901 1.551 1.00 0.00 C ATOM 1003 O6 G B 2 3.991 1.018 2.097 1.00 0.00 O ATOM 1004 N1 G B 2 2.546 1.574 0.472 1.00 0.00 N ATOM 1005 C2 G B 2 1.770 2.471 -0.220 1.00 0.00 C ATOM 1006 N2 G B 2 1.080 2.010 -1.256 1.00 0.00 N ATOM 1007 N3 G B 2 1.681 3.772 0.092 1.00 0.00 N ATOM 1008 C4 G B 2 2.470 4.106 1.144 1.00 0.00 C ATOM 0 H5' G B 2 4.544 9.240 1.482 1.00 0.00 H new ATOM 0 H5'' G B 2 3.754 10.263 2.666 1.00 0.00 H new ATOM 0 H4' G B 2 1.966 9.512 1.437 1.00 0.00 H new ATOM 0 H3' G B 2 2.268 8.013 3.939 1.00 0.00 H new ATOM 0 H2' G B 2 0.799 6.178 3.241 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.306 8.179 1.582 1.00 0.00 H new ATOM 0 H1' G B 2 1.212 6.295 0.454 1.00 0.00 H new ATOM 0 H8 G B 2 4.004 6.054 3.215 1.00 0.00 H new ATOM 0 H1 G B 2 2.536 0.601 0.167 1.00 0.00 H new ATOM 0 H21 G B 2 0.491 2.642 -1.798 1.00 0.00 H new ATOM 0 H22 G B 2 1.139 1.024 -1.510 1.00 0.00 H new ATOM 1020 P G B 3 0.981 10.572 3.973 1.00 0.00 P ATOM 1021 OP1 G B 3 2.333 10.584 4.576 1.00 0.00 O ATOM 1022 OP2 G B 3 -0.168 11.068 4.759 1.00 0.00 O ATOM 1023 O5' G B 3 1.033 11.383 2.587 1.00 0.00 O ATOM 1024 C5' G B 3 -0.162 11.710 1.901 1.00 0.00 C ATOM 1025 C4' G B 3 -0.237 11.014 0.545 1.00 0.00 C ATOM 1026 O4' G B 3 -0.642 9.662 0.713 1.00 0.00 O ATOM 1027 C3' G B 3 -1.287 11.703 -0.340 1.00 0.00 C ATOM 1028 O3' G B 3 -0.872 11.697 -1.689 1.00 0.00 O ATOM 1029 C2' G B 3 -2.505 10.819 -0.149 1.00 0.00 C ATOM 1030 O2' G B 3 -3.373 10.855 -1.262 1.00 0.00 O ATOM 1031 C1' G B 3 -1.885 9.446 0.054 1.00 0.00 C ATOM 1032 N9 G B 3 -2.790 8.583 0.834 1.00 0.00 N ATOM 1033 C8 G B 3 -3.348 7.401 0.439 1.00 0.00 C ATOM 1034 N7 G B 3 -4.127 6.860 1.334 1.00 0.00 N ATOM 1035 C5 G B 3 -4.098 7.761 2.392 1.00 0.00 C ATOM 1036 C6 G B 3 -4.772 7.731 3.649 1.00 0.00 C ATOM 1037 O6 G B 3 -5.551 6.880 4.077 1.00 0.00 O ATOM 1038 N1 G B 3 -4.469 8.831 4.433 1.00 0.00 N ATOM 1039 C2 G B 3 -3.639 9.856 4.049 1.00 0.00 C ATOM 1040 N2 G B 3 -3.470 10.848 4.919 1.00 0.00 N ATOM 1041 N3 G B 3 -3.012 9.900 2.874 1.00 0.00 N ATOM 1042 C4 G B 3 -3.280 8.821 2.095 1.00 0.00 C ATOM 0 H5' G B 3 -0.218 12.789 1.761 1.00 0.00 H new ATOM 0 H5'' G B 3 -1.021 11.422 2.507 1.00 0.00 H new ATOM 0 H4' G B 3 0.749 11.064 0.083 1.00 0.00 H new ATOM 0 H3' G B 3 -1.463 12.748 -0.084 1.00 0.00 H new ATOM 0 H2' G B 3 -3.138 11.133 0.681 1.00 0.00 H new ATOM 0 HO2' G B 3 -2.851 10.773 -2.087 1.00 0.00 H new ATOM 0 H1' G B 3 -1.721 8.929 -0.892 1.00 0.00 H new ATOM 0 H8 G B 3 -3.161 6.955 -0.527 1.00 0.00 H new ATOM 0 H1 G B 3 -4.891 8.884 5.360 1.00 0.00 H new ATOM 0 H21 G B 3 -2.864 11.634 4.685 1.00 0.00 H new ATOM 0 H22 G B 3 -3.946 10.822 5.821 1.00 0.00 H new ATOM 1054 P A B 4 0.216 12.744 -2.219 1.00 0.00 P ATOM 1055 OP1 A B 4 1.555 12.139 -2.067 1.00 0.00 O ATOM 1056 OP2 A B 4 -0.069 14.063 -1.612 1.00 0.00 O ATOM 1057 O5' A B 4 -0.114 12.824 -3.783 1.00 0.00 O ATOM 1058 C5' A B 4 -1.287 13.458 -4.242 1.00 0.00 C ATOM 1059 C4' A B 4 -1.376 13.282 -5.757 1.00 0.00 C ATOM 1060 O4' A B 4 -1.811 11.968 -6.066 1.00 0.00 O ATOM 1061 C3' A B 4 -2.408 14.250 -6.337 1.00 0.00 C ATOM 1062 O3' A B 4 -2.050 14.656 -7.647 1.00 0.00 O ATOM 1063 C2' A B 4 -3.667 13.407 -6.406 1.00 0.00 C ATOM 1064 O2' A B 4 -4.486 13.773 -7.495 1.00 0.00 O ATOM 1065 C1' A B 4 -3.130 12.001 -6.578 1.00 0.00 C ATOM 1066 N9 A B 4 -4.004 11.070 -5.854 1.00 0.00 N ATOM 1067 C8 A B 4 -4.083 10.863 -4.510 1.00 0.00 C ATOM 1068 N7 A B 4 -4.956 9.954 -4.164 1.00 0.00 N ATOM 1069 C5 A B 4 -5.512 9.554 -5.377 1.00 0.00 C ATOM 1070 C6 A B 4 -6.514 8.631 -5.733 1.00 0.00 C ATOM 1071 N6 A B 4 -7.158 7.865 -4.855 1.00 0.00 N ATOM 1072 N1 A B 4 -6.845 8.512 -7.027 1.00 0.00 N ATOM 1073 C2 A B 4 -6.210 9.253 -7.924 1.00 0.00 C ATOM 1074 N3 A B 4 -5.242 10.135 -7.735 1.00 0.00 N ATOM 1075 C4 A B 4 -4.942 10.236 -6.417 1.00 0.00 C ATOM 0 H5' A B 4 -1.270 14.517 -3.985 1.00 0.00 H new ATOM 0 H5'' A B 4 -2.164 13.027 -3.759 1.00 0.00 H new ATOM 0 H4' A B 4 -0.389 13.473 -6.179 1.00 0.00 H new ATOM 0 H3' A B 4 -2.506 15.158 -5.743 1.00 0.00 H new ATOM 0 H2' A B 4 -4.300 13.525 -5.526 1.00 0.00 H new ATOM 0 HO2' A B 4 -3.992 14.377 -8.087 1.00 0.00 H new ATOM 0 H1' A B 4 -3.111 11.708 -7.628 1.00 0.00 H new ATOM 0 H8 A B 4 -3.479 11.401 -3.795 1.00 0.00 H new ATOM 0 H61 A B 4 -7.875 7.214 -5.175 1.00 0.00 H new ATOM 0 H62 A B 4 -6.934 7.929 -3.862 1.00 0.00 H new ATOM 0 H2 A B 4 -6.526 9.119 -8.948 1.00 0.00 H new ATOM 1087 P G B 5 -1.010 15.847 -7.920 1.00 0.00 P ATOM 1088 OP1 G B 5 -1.134 16.827 -6.821 1.00 0.00 O ATOM 1089 OP2 G B 5 -1.202 16.293 -9.316 1.00 0.00 O ATOM 1090 O5' G B 5 0.432 15.148 -7.819 1.00 0.00 O ATOM 1091 C5' G B 5 1.335 15.508 -6.794 1.00 0.00 C ATOM 1092 C4' G B 5 2.515 14.544 -6.764 1.00 0.00 C ATOM 1093 O4' G B 5 2.017 13.255 -6.456 1.00 0.00 O ATOM 1094 C3' G B 5 3.268 14.434 -8.088 1.00 0.00 C ATOM 1095 O3' G B 5 4.616 14.140 -7.793 1.00 0.00 O ATOM 1096 C2' G B 5 2.598 13.235 -8.729 1.00 0.00 C ATOM 1097 O2' G B 5 3.426 12.605 -9.692 1.00 0.00 O ATOM 1098 C1' G B 5 2.356 12.363 -7.506 1.00 0.00 C ATOM 1099 N9 G B 5 1.277 11.387 -7.744 1.00 0.00 N ATOM 1100 C8 G B 5 0.042 11.562 -8.306 1.00 0.00 C ATOM 1101 N7 G B 5 -0.685 10.476 -8.343 1.00 0.00 N ATOM 1102 C5 G B 5 0.135 9.506 -7.773 1.00 0.00 C ATOM 1103 C6 G B 5 -0.097 8.123 -7.503 1.00 0.00 C ATOM 1104 O6 G B 5 -1.112 7.463 -7.706 1.00 0.00 O ATOM 1105 N1 G B 5 1.007 7.510 -6.939 1.00 0.00 N ATOM 1106 C2 G B 5 2.189 8.140 -6.666 1.00 0.00 C ATOM 1107 N2 G B 5 3.140 7.381 -6.142 1.00 0.00 N ATOM 1108 N3 G B 5 2.420 9.432 -6.892 1.00 0.00 N ATOM 1109 C4 G B 5 1.350 10.055 -7.444 1.00 0.00 C ATOM 0 H5' G B 5 0.825 15.498 -5.831 1.00 0.00 H new ATOM 0 H5'' G B 5 1.692 16.525 -6.956 1.00 0.00 H new ATOM 0 H4' G B 5 3.215 14.931 -6.024 1.00 0.00 H new ATOM 0 H3' G B 5 3.248 15.325 -8.716 1.00 0.00 H new ATOM 0 H2' G B 5 1.698 13.470 -9.297 1.00 0.00 H new ATOM 0 HO2' G B 5 2.868 12.193 -10.384 1.00 0.00 H new ATOM 0 H1' G B 5 3.240 11.775 -7.261 1.00 0.00 H new ATOM 0 H8 G B 5 -0.302 12.513 -8.685 1.00 0.00 H new ATOM 0 H1 G B 5 0.934 6.519 -6.711 1.00 0.00 H new ATOM 0 H21 G B 5 4.048 7.786 -5.913 1.00 0.00 H new ATOM 0 H22 G B 5 2.964 6.392 -5.967 1.00 0.00 H new ATOM 1121 P A B 6 5.765 15.231 -8.057 1.00 0.00 P ATOM 1122 OP1 A B 6 7.027 14.709 -7.492 1.00 0.00 O ATOM 1123 OP2 A B 6 5.268 16.565 -7.659 1.00 0.00 O ATOM 1124 O5' A B 6 5.868 15.191 -9.650 1.00 0.00 O ATOM 1125 C5' A B 6 6.468 14.079 -10.280 1.00 0.00 C ATOM 1126 C4' A B 6 6.054 14.016 -11.746 1.00 0.00 C ATOM 1127 O4' A B 6 6.753 14.999 -12.504 1.00 0.00 O ATOM 1128 C3' A B 6 6.446 12.650 -12.301 1.00 0.00 C ATOM 1129 O3' A B 6 5.513 12.315 -13.309 1.00 0.00 O ATOM 1130 C2' A B 6 7.840 12.978 -12.833 1.00 0.00 C ATOM 1131 O2' A B 6 8.348 12.028 -13.742 1.00 0.00 O ATOM 1132 C1' A B 6 7.549 14.329 -13.458 1.00 0.00 C ATOM 1133 N9 A B 6 8.779 15.078 -13.805 1.00 0.00 N ATOM 1134 C8 A B 6 10.071 14.614 -13.879 1.00 0.00 C ATOM 1135 N7 A B 6 10.946 15.519 -14.225 1.00 0.00 N ATOM 1136 C5 A B 6 10.170 16.669 -14.402 1.00 0.00 C ATOM 1137 C6 A B 6 10.474 17.993 -14.779 1.00 0.00 C ATOM 1138 N6 A B 6 11.707 18.419 -15.057 1.00 0.00 N ATOM 1139 N1 A B 6 9.478 18.879 -14.864 1.00 0.00 N ATOM 1140 C2 A B 6 8.243 18.479 -14.591 1.00 0.00 C ATOM 1141 N3 A B 6 7.816 17.279 -14.228 1.00 0.00 N ATOM 1142 C4 A B 6 8.847 16.406 -14.150 1.00 0.00 C ATOM 0 H5' A B 6 6.173 13.161 -9.772 1.00 0.00 H new ATOM 0 H5'' A B 6 7.553 14.151 -10.204 1.00 0.00 H new ATOM 0 H4' A B 6 4.980 14.189 -11.815 1.00 0.00 H new ATOM 0 H3' A B 6 6.450 11.798 -11.621 1.00 0.00 H new ATOM 0 H2' A B 6 8.629 12.976 -12.081 1.00 0.00 H new ATOM 0 HO2' A B 6 7.704 11.893 -14.468 1.00 0.00 H new ATOM 0 H1' A B 6 7.036 14.229 -14.414 1.00 0.00 H new ATOM 0 H8 A B 6 10.339 13.589 -13.669 1.00 0.00 H new ATOM 0 H61 A B 6 11.863 19.391 -15.324 1.00 0.00 H new ATOM 0 H62 A B 6 12.494 17.773 -15.002 1.00 0.00 H new ATOM 0 H2 A B 6 7.479 19.238 -14.677 1.00 0.00 H new ATOM 1154 P U B 7 5.502 10.864 -13.992 1.00 0.00 P ATOM 1155 OP1 U B 7 5.526 9.856 -12.910 1.00 0.00 O ATOM 1156 OP2 U B 7 6.539 10.836 -15.045 1.00 0.00 O ATOM 1157 O5' U B 7 4.061 10.779 -14.700 1.00 0.00 O ATOM 1158 C5' U B 7 3.791 11.412 -15.942 1.00 0.00 C ATOM 1159 C4' U B 7 3.429 12.887 -15.759 1.00 0.00 C ATOM 1160 O4' U B 7 4.589 13.663 -15.499 1.00 0.00 O ATOM 1161 C3' U B 7 2.808 13.427 -17.051 1.00 0.00 C ATOM 1162 O3' U B 7 1.914 14.478 -16.739 1.00 0.00 O ATOM 1163 C2' U B 7 4.035 13.967 -17.773 1.00 0.00 C ATOM 1164 O2' U B 7 3.698 14.971 -18.707 1.00 0.00 O ATOM 1165 C1' U B 7 4.845 14.515 -16.603 1.00 0.00 C ATOM 1166 N1 U B 7 6.288 14.563 -16.938 1.00 0.00 N ATOM 1167 C2 U B 7 6.822 15.783 -17.332 1.00 0.00 C ATOM 1168 O2 U B 7 6.149 16.809 -17.425 1.00 0.00 O ATOM 1169 N3 U B 7 8.179 15.792 -17.617 1.00 0.00 N ATOM 1170 C4 U B 7 9.033 14.704 -17.540 1.00 0.00 C ATOM 1171 O4 U B 7 10.229 14.831 -17.791 1.00 0.00 O ATOM 1172 C5 U B 7 8.385 13.477 -17.150 1.00 0.00 C ATOM 1173 C6 U B 7 7.059 13.438 -16.871 1.00 0.00 C ATOM 0 H5' U B 7 2.972 10.896 -16.443 1.00 0.00 H new ATOM 0 H5'' U B 7 4.664 11.329 -16.590 1.00 0.00 H new ATOM 0 H4' U B 7 2.734 12.957 -14.923 1.00 0.00 H new ATOM 0 H3' U B 7 2.241 12.697 -17.629 1.00 0.00 H new ATOM 0 H2' U B 7 4.566 13.227 -18.372 1.00 0.00 H new ATOM 0 HO2' U B 7 4.511 15.294 -19.148 1.00 0.00 H new ATOM 0 HO3' U B 7 2.047 15.218 -17.368 1.00 0.00 H new ATOM 0 H1' U B 7 4.556 15.539 -16.366 1.00 0.00 H new ATOM 0 H3 U B 7 8.585 16.681 -17.910 1.00 0.00 H new ATOM 0 H5 U B 7 8.968 12.570 -17.079 1.00 0.00 H new ATOM 0 H6 U B 7 6.604 12.500 -16.590 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -3.052 1.567 -10.637 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.906 -3.814 6.320 1.00 0.00 ZN