USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=22 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 128 SER OG : rot 180:sc= 0.316 USER MOD Set 1.2: A 185 GLN : amide:sc= -1.81 K(o=-1.5,f=-2!) USER MOD Set 2.1: A 150 LYS NZ :NH3+ -164:sc= -0.0646 (180deg=-0.32) USER MOD Set 2.2: B 4 A O2' : rot 180: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 129 MET CE :methyl 157:sc= -0.116 (180deg=-0.75) USER MOD Single : A 130 GLN : amide:sc= 1.17 K(o=1.2,f=-0.017) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0.326 K(o=0.33,f=-6.9!) USER MOD Single : A 148 HIS : no HD1:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 153 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.075) USER MOD Single : A 157 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.34) USER MOD Single : A 159 LYS NZ :NH3+ 153:sc= 1.01 (180deg=0.254) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -0.693 X(o=-0.69,f=-1) USER MOD Single : A 165 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.1) USER MOD Single : A 166 SER OG : rot 111:sc= 1.42 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 174:sc= -2.19 (180deg=-2.3) USER MOD Single : A 173 SER OG : rot -50:sc= 0.0163 USER MOD Single : A 177 LYS NZ :NH3+ -165:sc= 1.17 (180deg=0.902) USER MOD Single : A 179 GLN : amide:sc= -0.542 K(o=-0.54,f=-2.1!) USER MOD Single : A 180 GLN : amide:sc=-0.00386 X(o=-0.0039,f=0) USER MOD Single : A 183 SER OG : rot 180:sc=-0.00446 USER MOD Single : B 1 A O2' : rot 73:sc= -0.554 USER MOD Single : B 1 A O5' : rot 65:sc= 1.28 USER MOD Single : B 2 G O2' : rot 42:sc= 1.2 USER MOD Single : B 3 G O2' : rot 136:sc= 0.031 USER MOD Single : B 5 G O2' : rot 21:sc= 0.13 USER MOD Single : B 6 A O2' : rot 45:sc= 0.557 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 171:sc= 0.00683 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 20.021 1.998 17.048 1.00 0.00 N ATOM 2 CA PRO A 124 19.584 1.983 15.639 1.00 0.00 C ATOM 3 C PRO A 124 20.217 3.104 14.828 1.00 0.00 C ATOM 4 O PRO A 124 20.364 4.229 15.309 1.00 0.00 O ATOM 5 CB PRO A 124 18.061 2.050 15.624 1.00 0.00 C ATOM 6 CG PRO A 124 17.722 1.260 16.881 1.00 0.00 C ATOM 7 CD PRO A 124 18.804 1.738 17.841 1.00 0.00 C ATOM 0 HA PRO A 124 19.918 1.063 15.159 1.00 0.00 H new ATOM 0 HB2 PRO A 124 17.693 3.075 15.670 1.00 0.00 H new ATOM 0 HB3 PRO A 124 17.637 1.599 14.727 1.00 0.00 H new ATOM 0 HG2 PRO A 124 16.720 1.483 17.248 1.00 0.00 H new ATOM 0 HG3 PRO A 124 17.768 0.184 16.714 1.00 0.00 H new ATOM 0 HD2 PRO A 124 18.484 2.642 18.359 1.00 0.00 H new ATOM 0 HD3 PRO A 124 18.998 0.985 18.605 1.00 0.00 H new ATOM 15 N LYS A 125 20.594 2.790 13.590 1.00 0.00 N ATOM 16 CA LYS A 125 21.250 3.723 12.688 1.00 0.00 C ATOM 17 C LYS A 125 20.937 3.317 11.250 1.00 0.00 C ATOM 18 O LYS A 125 20.797 2.128 10.957 1.00 0.00 O ATOM 19 CB LYS A 125 22.754 3.651 12.959 1.00 0.00 C ATOM 20 CG LYS A 125 23.565 4.568 12.047 1.00 0.00 C ATOM 21 CD LYS A 125 25.046 4.341 12.336 1.00 0.00 C ATOM 22 CE LYS A 125 25.896 5.184 11.395 1.00 0.00 C ATOM 23 NZ LYS A 125 27.316 4.792 11.477 1.00 0.00 N ATOM 0 H LYS A 125 20.448 1.866 13.183 1.00 0.00 H new ATOM 0 HA LYS A 125 20.900 4.744 12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 125 22.944 3.919 13.998 1.00 0.00 H new ATOM 0 HB3 LYS A 125 23.093 2.623 12.828 1.00 0.00 H new ATOM 0 HG2 LYS A 125 23.345 4.355 11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 125 23.299 5.610 12.223 1.00 0.00 H new ATOM 0 HD2 LYS A 125 25.267 4.602 13.371 1.00 0.00 H new ATOM 0 HD3 LYS A 125 25.291 3.286 12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 125 25.540 5.065 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 125 25.790 6.239 11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 27.876 5.380 10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 27.658 4.928 12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 27.416 3.791 11.212 1.00 0.00 H new ATOM 37 N GLY A 126 20.830 4.294 10.348 1.00 0.00 N ATOM 38 CA GLY A 126 20.584 4.022 8.939 1.00 0.00 C ATOM 39 C GLY A 126 20.172 5.261 8.167 1.00 0.00 C ATOM 40 O GLY A 126 20.477 5.391 6.983 1.00 0.00 O ATOM 0 H GLY A 126 20.911 5.285 10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 126 21.485 3.603 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 126 19.803 3.267 8.850 1.00 0.00 H new ATOM 44 N LYS A 127 19.480 6.154 8.874 1.00 0.00 N ATOM 45 CA LYS A 127 18.929 7.403 8.378 1.00 0.00 C ATOM 46 C LYS A 127 18.017 7.253 7.160 1.00 0.00 C ATOM 47 O LYS A 127 18.071 6.270 6.429 1.00 0.00 O ATOM 48 CB LYS A 127 20.067 8.378 8.082 1.00 0.00 C ATOM 49 CG LYS A 127 20.935 8.616 9.322 1.00 0.00 C ATOM 50 CD LYS A 127 22.161 9.443 8.943 1.00 0.00 C ATOM 51 CE LYS A 127 22.969 9.771 10.199 1.00 0.00 C ATOM 52 NZ LYS A 127 24.189 10.532 9.861 1.00 0.00 N ATOM 0 H LYS A 127 19.281 6.012 9.864 1.00 0.00 H new ATOM 0 HA LYS A 127 18.286 7.792 9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 127 20.684 7.985 7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 127 19.655 9.326 7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 127 20.358 9.134 10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 127 21.246 7.662 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.779 8.891 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 127 21.852 10.363 8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 127 22.355 10.349 10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 127 23.242 8.848 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 24.719 10.742 10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 24.784 9.968 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 23.924 11.423 9.394 1.00 0.00 H new ATOM 66 N SER A 128 17.170 8.259 6.953 1.00 0.00 N ATOM 67 CA SER A 128 16.253 8.314 5.827 1.00 0.00 C ATOM 68 C SER A 128 15.613 9.696 5.754 1.00 0.00 C ATOM 69 O SER A 128 15.865 10.543 6.608 1.00 0.00 O ATOM 70 CB SER A 128 15.180 7.231 5.973 1.00 0.00 C ATOM 71 OG SER A 128 14.455 7.393 7.177 1.00 0.00 O ATOM 0 H SER A 128 17.104 9.067 7.573 1.00 0.00 H new ATOM 0 HA SER A 128 16.803 8.133 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 128 14.497 7.274 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 128 15.648 6.247 5.956 1.00 0.00 H new ATOM 0 HG SER A 128 13.775 6.691 7.246 1.00 0.00 H new ATOM 77 N MET A 129 14.778 9.931 4.733 1.00 0.00 N ATOM 78 CA MET A 129 14.125 11.216 4.528 1.00 0.00 C ATOM 79 C MET A 129 12.670 11.001 4.137 1.00 0.00 C ATOM 80 O MET A 129 12.191 9.867 4.092 1.00 0.00 O ATOM 81 CB MET A 129 14.854 12.023 3.438 1.00 0.00 C ATOM 82 CG MET A 129 16.285 12.401 3.826 1.00 0.00 C ATOM 83 SD MET A 129 17.521 11.079 3.700 1.00 0.00 S ATOM 84 CE MET A 129 17.431 10.740 1.923 1.00 0.00 C ATOM 0 H MET A 129 14.541 9.231 4.030 1.00 0.00 H new ATOM 0 HA MET A 129 14.164 11.781 5.459 1.00 0.00 H new ATOM 0 HB2 MET A 129 14.876 11.441 2.517 1.00 0.00 H new ATOM 0 HB3 MET A 129 14.289 12.931 3.228 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.604 13.230 3.195 1.00 0.00 H new ATOM 0 HG3 MET A 129 16.277 12.767 4.853 1.00 0.00 H new ATOM 0 HE1 MET A 129 18.361 10.277 1.593 1.00 0.00 H new ATOM 0 HE2 MET A 129 16.599 10.065 1.723 1.00 0.00 H new ATOM 0 HE3 MET A 129 17.279 11.674 1.382 1.00 0.00 H new ATOM 94 N GLN A 130 11.959 12.095 3.856 1.00 0.00 N ATOM 95 CA GLN A 130 10.577 12.046 3.412 1.00 0.00 C ATOM 96 C GLN A 130 10.392 13.040 2.269 1.00 0.00 C ATOM 97 O GLN A 130 11.124 14.021 2.172 1.00 0.00 O ATOM 98 CB GLN A 130 9.637 12.396 4.571 1.00 0.00 C ATOM 99 CG GLN A 130 9.693 11.336 5.672 1.00 0.00 C ATOM 100 CD GLN A 130 8.774 11.714 6.825 1.00 0.00 C ATOM 101 OE1 GLN A 130 9.224 12.234 7.845 1.00 0.00 O ATOM 102 NE2 GLN A 130 7.479 11.448 6.683 1.00 0.00 N ATOM 0 H GLN A 130 12.333 13.041 3.932 1.00 0.00 H new ATOM 0 HA GLN A 130 10.338 11.040 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.911 13.367 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.616 12.484 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 130 9.399 10.368 5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 130 10.716 11.233 6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 130 7.138 11.016 5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 130 6.826 11.676 7.433 1.00 0.00 H new ATOM 111 N LYS A 131 9.403 12.776 1.410 1.00 0.00 N ATOM 112 CA LYS A 131 9.104 13.594 0.250 1.00 0.00 C ATOM 113 C LYS A 131 7.629 13.399 -0.108 1.00 0.00 C ATOM 114 O LYS A 131 6.948 12.578 0.509 1.00 0.00 O ATOM 115 CB LYS A 131 10.023 13.141 -0.898 1.00 0.00 C ATOM 116 CG LYS A 131 10.251 14.216 -1.966 1.00 0.00 C ATOM 117 CD LYS A 131 11.441 15.121 -1.641 1.00 0.00 C ATOM 118 CE LYS A 131 11.219 15.941 -0.369 1.00 0.00 C ATOM 119 NZ LYS A 131 12.413 16.749 -0.048 1.00 0.00 N ATOM 0 H LYS A 131 8.782 11.973 1.510 1.00 0.00 H new ATOM 0 HA LYS A 131 9.276 14.653 0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.986 12.843 -0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.592 12.258 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.416 13.736 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.352 14.824 -2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 131 12.337 14.511 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 131 11.621 15.795 -2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.357 16.595 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.991 15.275 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 12.239 17.297 0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 13.229 16.120 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.614 17.400 -0.834 1.00 0.00 H new ATOM 133 N ARG A 132 7.129 14.142 -1.099 1.00 0.00 N ATOM 134 CA ARG A 132 5.751 14.037 -1.550 1.00 0.00 C ATOM 135 C ARG A 132 5.669 14.215 -3.057 1.00 0.00 C ATOM 136 O ARG A 132 6.421 15.004 -3.626 1.00 0.00 O ATOM 137 CB ARG A 132 4.898 15.100 -0.871 1.00 0.00 C ATOM 138 CG ARG A 132 4.921 14.952 0.648 1.00 0.00 C ATOM 139 CD ARG A 132 3.875 15.898 1.226 1.00 0.00 C ATOM 140 NE ARG A 132 3.910 15.902 2.694 1.00 0.00 N ATOM 141 CZ ARG A 132 3.226 15.052 3.465 1.00 0.00 C ATOM 142 NH1 ARG A 132 2.434 14.129 2.922 1.00 0.00 N ATOM 143 NH2 ARG A 132 3.331 15.119 4.787 1.00 0.00 N ATOM 0 H ARG A 132 7.677 14.835 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 132 5.379 13.047 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.262 16.090 -1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 132 3.871 15.027 -1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 132 4.705 13.923 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 132 5.910 15.191 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.050 16.907 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.884 15.599 0.885 1.00 0.00 H new ATOM 0 HE ARG A 132 4.495 16.599 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.345 14.066 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 132 1.916 13.485 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 132 3.935 15.820 5.216 1.00 0.00 H new ATOM 0 HH22 ARG A 132 2.808 14.469 5.374 1.00 0.00 H new ATOM 157 N ARG A 133 4.752 13.473 -3.682 1.00 0.00 N ATOM 158 CA ARG A 133 4.428 13.541 -5.111 1.00 0.00 C ATOM 159 C ARG A 133 5.624 13.501 -6.046 1.00 0.00 C ATOM 160 O ARG A 133 5.508 13.799 -7.233 1.00 0.00 O ATOM 161 CB ARG A 133 3.570 14.781 -5.350 1.00 0.00 C ATOM 162 CG ARG A 133 2.285 14.636 -4.547 1.00 0.00 C ATOM 163 CD ARG A 133 1.504 15.937 -4.571 1.00 0.00 C ATOM 164 NE ARG A 133 0.264 15.782 -3.814 1.00 0.00 N ATOM 165 CZ ARG A 133 -0.749 16.652 -3.778 1.00 0.00 C ATOM 166 NH1 ARG A 133 -0.708 17.790 -4.461 1.00 0.00 N ATOM 167 NH2 ARG A 133 -1.823 16.377 -3.047 1.00 0.00 N ATOM 0 H ARG A 133 4.191 12.780 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 133 3.879 12.632 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 133 4.108 15.679 -5.046 1.00 0.00 H new ATOM 0 HB3 ARG A 133 3.345 14.888 -6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 133 1.678 13.831 -4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 133 2.519 14.362 -3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 133 2.104 16.740 -4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 133 1.280 16.219 -5.600 1.00 0.00 H new ATOM 0 HE ARG A 133 0.162 14.930 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.109 18.015 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -1.494 18.439 -4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.870 15.506 -2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -2.600 17.037 -3.015 1.00 0.00 H new ATOM 181 N SER A 134 6.777 13.136 -5.497 1.00 0.00 N ATOM 182 CA SER A 134 8.015 13.028 -6.247 1.00 0.00 C ATOM 183 C SER A 134 7.915 11.924 -7.293 1.00 0.00 C ATOM 184 O SER A 134 7.277 10.899 -7.054 1.00 0.00 O ATOM 185 CB SER A 134 9.154 12.745 -5.278 1.00 0.00 C ATOM 186 OG SER A 134 10.387 12.753 -5.963 1.00 0.00 O ATOM 0 H SER A 134 6.876 12.905 -4.508 1.00 0.00 H new ATOM 0 HA SER A 134 8.206 13.965 -6.771 1.00 0.00 H new ATOM 0 HB2 SER A 134 9.164 13.495 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 134 9.002 11.778 -4.798 1.00 0.00 H new ATOM 0 HG SER A 134 11.114 12.572 -5.331 1.00 0.00 H new ATOM 192 N LYS A 135 8.544 12.130 -8.453 1.00 0.00 N ATOM 193 CA LYS A 135 8.592 11.127 -9.507 1.00 0.00 C ATOM 194 C LYS A 135 9.547 10.014 -9.090 1.00 0.00 C ATOM 195 O LYS A 135 10.521 10.271 -8.380 1.00 0.00 O ATOM 196 CB LYS A 135 9.019 11.788 -10.820 1.00 0.00 C ATOM 197 CG LYS A 135 8.937 10.789 -11.974 1.00 0.00 C ATOM 198 CD LYS A 135 9.262 11.474 -13.301 1.00 0.00 C ATOM 199 CE LYS A 135 8.205 12.518 -13.653 1.00 0.00 C ATOM 200 NZ LYS A 135 8.522 13.195 -14.923 1.00 0.00 N ATOM 0 H LYS A 135 9.031 12.996 -8.683 1.00 0.00 H new ATOM 0 HA LYS A 135 7.608 10.686 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 135 8.379 12.645 -11.027 1.00 0.00 H new ATOM 0 HB3 LYS A 135 10.038 12.165 -10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 135 9.633 9.968 -11.802 1.00 0.00 H new ATOM 0 HG3 LYS A 135 7.938 10.356 -12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 135 10.241 11.950 -13.238 1.00 0.00 H new ATOM 0 HD3 LYS A 135 9.320 10.729 -14.094 1.00 0.00 H new ATOM 0 HE2 LYS A 135 7.229 12.039 -13.728 1.00 0.00 H new ATOM 0 HE3 LYS A 135 8.138 13.255 -12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 7.786 13.898 -15.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 9.443 13.672 -14.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 8.562 12.494 -15.690 1.00 0.00 H new ATOM 214 N GLY A 136 9.285 8.784 -9.529 1.00 0.00 N ATOM 215 CA GLY A 136 10.069 7.629 -9.114 1.00 0.00 C ATOM 216 C GLY A 136 9.201 6.600 -8.391 1.00 0.00 C ATOM 217 O GLY A 136 9.722 5.735 -7.689 1.00 0.00 O ATOM 0 H GLY A 136 8.529 8.564 -10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.532 7.168 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.877 7.952 -8.458 1.00 0.00 H new ATOM 221 N ASP A 137 7.882 6.698 -8.559 1.00 0.00 N ATOM 222 CA ASP A 137 6.923 5.794 -7.943 1.00 0.00 C ATOM 223 C ASP A 137 5.915 5.345 -9.003 1.00 0.00 C ATOM 224 O ASP A 137 6.089 5.641 -10.183 1.00 0.00 O ATOM 225 CB ASP A 137 6.264 6.492 -6.745 1.00 0.00 C ATOM 226 CG ASP A 137 5.913 5.504 -5.634 1.00 0.00 C ATOM 227 OD1 ASP A 137 5.075 4.613 -5.891 1.00 0.00 O ATOM 228 OD2 ASP A 137 6.484 5.645 -4.531 1.00 0.00 O ATOM 0 H ASP A 137 7.448 7.419 -9.136 1.00 0.00 H new ATOM 0 HA ASP A 137 7.413 4.899 -7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.937 7.255 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.360 7.004 -7.075 1.00 0.00 H new ATOM 233 N ARG A 138 4.868 4.631 -8.593 1.00 0.00 N ATOM 234 CA ARG A 138 3.937 3.983 -9.508 1.00 0.00 C ATOM 235 C ARG A 138 2.494 4.314 -9.123 1.00 0.00 C ATOM 236 O ARG A 138 2.270 5.047 -8.165 1.00 0.00 O ATOM 237 CB ARG A 138 4.193 2.468 -9.441 1.00 0.00 C ATOM 238 CG ARG A 138 5.555 2.096 -10.046 1.00 0.00 C ATOM 239 CD ARG A 138 5.911 0.650 -9.704 1.00 0.00 C ATOM 240 NE ARG A 138 7.322 0.343 -9.970 1.00 0.00 N ATOM 241 CZ ARG A 138 8.330 0.598 -9.138 1.00 0.00 C ATOM 242 NH1 ARG A 138 8.128 1.215 -7.977 1.00 0.00 N ATOM 243 NH2 ARG A 138 9.560 0.227 -9.473 1.00 0.00 N ATOM 0 H ARG A 138 4.642 4.486 -7.609 1.00 0.00 H new ATOM 0 HA ARG A 138 4.089 4.341 -10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.153 2.137 -8.403 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.402 1.941 -9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.527 2.224 -11.128 1.00 0.00 H new ATOM 0 HG3 ARG A 138 6.325 2.767 -9.665 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.694 0.464 -8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.280 -0.024 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 138 7.547 -0.100 -10.861 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.187 1.503 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.914 1.401 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 138 9.725 -0.248 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 138 10.339 0.417 -8.843 1.00 0.00 H new ATOM 257 N CYS A 139 1.527 3.781 -9.876 1.00 0.00 N ATOM 258 CA CYS A 139 0.101 3.870 -9.610 1.00 0.00 C ATOM 259 C CYS A 139 -0.157 3.585 -8.131 1.00 0.00 C ATOM 260 O CYS A 139 0.062 2.474 -7.655 1.00 0.00 O ATOM 261 CB CYS A 139 -0.617 2.891 -10.545 1.00 0.00 C ATOM 262 SG CYS A 139 -2.312 2.537 -10.010 1.00 0.00 S ATOM 0 H CYS A 139 1.734 3.253 -10.724 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.287 4.870 -9.807 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.637 3.305 -11.553 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.053 1.960 -10.593 1.00 0.00 H new ATOM 267 N TYR A 140 -0.627 4.605 -7.406 1.00 0.00 N ATOM 268 CA TYR A 140 -0.924 4.505 -5.984 1.00 0.00 C ATOM 269 C TYR A 140 -2.110 3.583 -5.710 1.00 0.00 C ATOM 270 O TYR A 140 -2.523 3.448 -4.559 1.00 0.00 O ATOM 271 CB TYR A 140 -1.210 5.897 -5.418 1.00 0.00 C ATOM 272 CG TYR A 140 -0.002 6.775 -5.155 1.00 0.00 C ATOM 273 CD1 TYR A 140 1.297 6.392 -5.538 1.00 0.00 C ATOM 274 CD2 TYR A 140 -0.194 8.005 -4.511 1.00 0.00 C ATOM 275 CE1 TYR A 140 2.390 7.236 -5.291 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.892 8.851 -4.253 1.00 0.00 C ATOM 277 CZ TYR A 140 2.189 8.475 -4.652 1.00 0.00 C ATOM 278 OH TYR A 140 3.251 9.299 -4.421 1.00 0.00 O ATOM 0 H TYR A 140 -0.812 5.528 -7.798 1.00 0.00 H new ATOM 0 HA TYR A 140 -0.051 4.074 -5.493 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -1.869 6.420 -6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -1.759 5.781 -4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 140 1.454 5.441 -6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.188 8.303 -4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 140 3.384 6.936 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.735 9.792 -3.748 1.00 0.00 H new ATOM 0 HH TYR A 140 2.941 10.114 -3.973 1.00 0.00 H new ATOM 288 N ASN A 141 -2.672 2.943 -6.742 1.00 0.00 N ATOM 289 CA ASN A 141 -3.803 2.059 -6.563 1.00 0.00 C ATOM 290 C ASN A 141 -3.375 0.604 -6.796 1.00 0.00 C ATOM 291 O ASN A 141 -3.757 -0.273 -6.029 1.00 0.00 O ATOM 292 CB ASN A 141 -4.906 2.479 -7.542 1.00 0.00 C ATOM 293 CG ASN A 141 -6.241 1.811 -7.258 1.00 0.00 C ATOM 294 OD1 ASN A 141 -6.819 1.997 -6.194 1.00 0.00 O ATOM 295 ND2 ASN A 141 -6.737 1.026 -8.208 1.00 0.00 N ATOM 0 H ASN A 141 -2.353 3.029 -7.707 1.00 0.00 H new ATOM 0 HA ASN A 141 -4.184 2.130 -5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.031 3.561 -7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.594 2.236 -8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.629 0.553 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.226 0.896 -9.081 1.00 0.00 H new ATOM 302 N CYS A 142 -2.593 0.335 -7.843 1.00 0.00 N ATOM 303 CA CYS A 142 -2.271 -1.035 -8.188 1.00 0.00 C ATOM 304 C CYS A 142 -0.768 -1.276 -8.156 1.00 0.00 C ATOM 305 O CYS A 142 -0.314 -2.349 -7.759 1.00 0.00 O ATOM 306 CB CYS A 142 -2.915 -1.343 -9.533 1.00 0.00 C ATOM 307 SG CYS A 142 -1.838 -0.831 -10.895 1.00 0.00 S ATOM 0 H CYS A 142 -2.181 1.041 -8.453 1.00 0.00 H new ATOM 0 HA CYS A 142 -2.676 -1.727 -7.449 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.119 -2.411 -9.607 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.873 -0.829 -9.608 1.00 0.00 H new ATOM 312 N GLY A 143 0.000 -0.262 -8.571 1.00 0.00 N ATOM 313 CA GLY A 143 1.450 -0.315 -8.569 1.00 0.00 C ATOM 314 C GLY A 143 2.016 -0.382 -9.981 1.00 0.00 C ATOM 315 O GLY A 143 3.206 -0.626 -10.148 1.00 0.00 O ATOM 0 H GLY A 143 -0.378 0.620 -8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 143 1.845 0.565 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 143 1.781 -1.186 -8.003 1.00 0.00 H new ATOM 319 N GLY A 144 1.190 -0.160 -11.008 1.00 0.00 N ATOM 320 CA GLY A 144 1.658 -0.109 -12.386 1.00 0.00 C ATOM 321 C GLY A 144 2.384 1.203 -12.673 1.00 0.00 C ATOM 322 O GLY A 144 2.157 2.201 -11.997 1.00 0.00 O ATOM 0 H GLY A 144 0.186 -0.012 -10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.327 -0.948 -12.577 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.812 -0.216 -13.065 1.00 0.00 H new ATOM 326 N LEU A 145 3.253 1.213 -13.678 1.00 0.00 N ATOM 327 CA LEU A 145 4.132 2.352 -13.934 1.00 0.00 C ATOM 328 C LEU A 145 3.703 3.098 -15.192 1.00 0.00 C ATOM 329 O LEU A 145 3.995 4.283 -15.338 1.00 0.00 O ATOM 330 CB LEU A 145 5.595 1.905 -14.089 1.00 0.00 C ATOM 331 CG LEU A 145 5.796 0.416 -14.378 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.197 0.191 -14.939 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.673 -0.394 -13.091 1.00 0.00 C ATOM 0 H LEU A 145 3.369 0.440 -14.334 1.00 0.00 H new ATOM 0 HA LEU A 145 4.054 3.017 -13.074 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.050 2.480 -14.896 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.134 2.157 -13.175 1.00 0.00 H new ATOM 0 HG LEU A 145 5.037 0.099 -15.093 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.340 -0.870 -15.145 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.315 0.759 -15.862 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.938 0.523 -14.212 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.818 -1.452 -13.311 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.430 -0.064 -12.380 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.682 -0.246 -12.661 1.00 0.00 H new ATOM 345 N ASP A 146 3.007 2.406 -16.097 1.00 0.00 N ATOM 346 CA ASP A 146 2.546 2.990 -17.341 1.00 0.00 C ATOM 347 C ASP A 146 1.343 3.907 -17.117 1.00 0.00 C ATOM 348 O ASP A 146 0.884 4.568 -18.046 1.00 0.00 O ATOM 349 CB ASP A 146 2.217 1.839 -18.288 1.00 0.00 C ATOM 350 CG ASP A 146 1.611 2.325 -19.600 1.00 0.00 C ATOM 351 OD1 ASP A 146 2.301 3.089 -20.313 1.00 0.00 O ATOM 352 OD2 ASP A 146 0.459 1.926 -19.882 1.00 0.00 O ATOM 0 H ASP A 146 2.751 1.425 -15.980 1.00 0.00 H new ATOM 0 HA ASP A 146 3.321 3.621 -17.776 1.00 0.00 H new ATOM 0 HB2 ASP A 146 3.125 1.273 -18.497 1.00 0.00 H new ATOM 0 HB3 ASP A 146 1.521 1.157 -17.799 1.00 0.00 H new ATOM 357 N HIS A 147 0.819 3.956 -15.890 1.00 0.00 N ATOM 358 CA HIS A 147 -0.348 4.760 -15.564 1.00 0.00 C ATOM 359 C HIS A 147 -0.297 5.223 -14.107 1.00 0.00 C ATOM 360 O HIS A 147 0.687 4.991 -13.408 1.00 0.00 O ATOM 361 CB HIS A 147 -1.611 3.927 -15.810 1.00 0.00 C ATOM 362 CG HIS A 147 -1.674 2.687 -14.955 1.00 0.00 C ATOM 363 ND1 HIS A 147 -1.160 1.446 -15.253 1.00 0.00 N ATOM 364 CD2 HIS A 147 -2.258 2.589 -13.722 1.00 0.00 C ATOM 365 CE1 HIS A 147 -1.400 0.639 -14.208 1.00 0.00 C ATOM 366 NE2 HIS A 147 -2.078 1.290 -13.241 1.00 0.00 N ATOM 0 H HIS A 147 1.197 3.437 -15.098 1.00 0.00 H new ATOM 0 HA HIS A 147 -0.361 5.646 -16.198 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -2.489 4.542 -15.614 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -1.651 3.640 -16.861 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -0.681 1.186 -16.115 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.774 3.385 -13.205 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -1.091 -0.394 -14.149 1.00 0.00 H new ATOM 374 N HIS A 148 -1.369 5.881 -13.653 1.00 0.00 N ATOM 375 CA HIS A 148 -1.500 6.363 -12.285 1.00 0.00 C ATOM 376 C HIS A 148 -2.839 5.902 -11.714 1.00 0.00 C ATOM 377 O HIS A 148 -3.691 5.395 -12.446 1.00 0.00 O ATOM 378 CB HIS A 148 -1.396 7.887 -12.272 1.00 0.00 C ATOM 379 CG HIS A 148 -0.029 8.402 -12.638 1.00 0.00 C ATOM 380 ND1 HIS A 148 0.225 9.442 -13.533 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.156 7.941 -12.138 1.00 0.00 C ATOM 382 CE1 HIS A 148 1.559 9.585 -13.554 1.00 0.00 C ATOM 383 NE2 HIS A 148 2.140 8.700 -12.723 1.00 0.00 N ATOM 0 H HIS A 148 -2.177 6.094 -14.238 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.700 5.957 -11.665 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -2.128 8.299 -12.967 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -1.659 8.252 -11.279 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.292 7.141 -11.426 1.00 0.00 H new ATOM 0 HE1 HIS A 148 2.092 10.309 -14.153 1.00 0.00 H new ATOM 0 HE2 HIS A 148 3.142 8.608 -12.556 1.00 0.00 H new ATOM 391 N ALA A 149 -3.027 6.077 -10.405 1.00 0.00 N ATOM 392 CA ALA A 149 -4.187 5.584 -9.676 1.00 0.00 C ATOM 393 C ALA A 149 -5.513 6.090 -10.227 1.00 0.00 C ATOM 394 O ALA A 149 -6.558 5.511 -9.935 1.00 0.00 O ATOM 395 CB ALA A 149 -4.037 6.000 -8.212 1.00 0.00 C ATOM 0 H ALA A 149 -2.362 6.576 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.214 4.500 -9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.895 5.642 -7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.124 5.568 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.985 7.087 -8.146 1.00 0.00 H new ATOM 401 N LYS A 150 -5.485 7.161 -11.026 1.00 0.00 N ATOM 402 CA LYS A 150 -6.679 7.754 -11.617 1.00 0.00 C ATOM 403 C LYS A 150 -6.935 7.231 -13.024 1.00 0.00 C ATOM 404 O LYS A 150 -8.008 7.459 -13.581 1.00 0.00 O ATOM 405 CB LYS A 150 -6.503 9.267 -11.646 1.00 0.00 C ATOM 406 CG LYS A 150 -5.274 9.661 -12.473 1.00 0.00 C ATOM 407 CD LYS A 150 -4.790 11.045 -12.050 1.00 0.00 C ATOM 408 CE LYS A 150 -4.214 10.976 -10.635 1.00 0.00 C ATOM 409 NZ LYS A 150 -3.885 12.320 -10.141 1.00 0.00 N ATOM 0 H LYS A 150 -4.622 7.642 -11.280 1.00 0.00 H new ATOM 0 HA LYS A 150 -7.543 7.480 -11.011 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -7.394 9.732 -12.068 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -6.397 9.644 -10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.479 8.929 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.523 9.661 -13.534 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -4.031 11.404 -12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.615 11.756 -12.083 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.934 10.504 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -3.320 10.353 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.259 12.242 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.404 12.857 -10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.759 12.813 -9.868 1.00 0.00 H new ATOM 423 N GLU A 151 -5.954 6.532 -13.583 1.00 0.00 N ATOM 424 CA GLU A 151 -6.072 5.897 -14.887 1.00 0.00 C ATOM 425 C GLU A 151 -5.994 4.379 -14.763 1.00 0.00 C ATOM 426 O GLU A 151 -6.041 3.676 -15.773 1.00 0.00 O ATOM 427 CB GLU A 151 -4.969 6.389 -15.826 1.00 0.00 C ATOM 428 CG GLU A 151 -4.776 7.898 -15.746 1.00 0.00 C ATOM 429 CD GLU A 151 -3.885 8.402 -16.870 1.00 0.00 C ATOM 430 OE1 GLU A 151 -2.651 8.429 -16.668 1.00 0.00 O ATOM 431 OE2 GLU A 151 -4.436 8.759 -17.936 1.00 0.00 O ATOM 0 H GLU A 151 -5.047 6.390 -13.139 1.00 0.00 H new ATOM 0 HA GLU A 151 -7.043 6.167 -15.301 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -4.032 5.891 -15.576 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -5.215 6.110 -16.850 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -5.745 8.394 -15.798 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -4.335 8.160 -14.784 1.00 0.00 H new ATOM 438 N CYS A 152 -5.867 3.880 -13.532 1.00 0.00 N ATOM 439 CA CYS A 152 -5.790 2.461 -13.255 1.00 0.00 C ATOM 440 C CYS A 152 -7.002 1.744 -13.847 1.00 0.00 C ATOM 441 O CYS A 152 -8.061 2.343 -14.035 1.00 0.00 O ATOM 442 CB CYS A 152 -5.667 2.264 -11.749 1.00 0.00 C ATOM 443 SG CYS A 152 -4.951 0.642 -11.434 1.00 0.00 S ATOM 0 H CYS A 152 -5.815 4.463 -12.697 1.00 0.00 H new ATOM 0 HA CYS A 152 -4.910 2.023 -13.726 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.041 3.044 -11.316 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.646 2.343 -11.277 1.00 0.00 H new ATOM 448 N LYS A 153 -6.846 0.453 -14.140 1.00 0.00 N ATOM 449 CA LYS A 153 -7.829 -0.318 -14.899 1.00 0.00 C ATOM 450 C LYS A 153 -8.575 -1.336 -14.043 1.00 0.00 C ATOM 451 O LYS A 153 -9.372 -2.116 -14.559 1.00 0.00 O ATOM 452 CB LYS A 153 -7.158 -0.979 -16.107 1.00 0.00 C ATOM 453 CG LYS A 153 -5.758 -1.529 -15.813 1.00 0.00 C ATOM 454 CD LYS A 153 -5.757 -2.636 -14.765 1.00 0.00 C ATOM 455 CE LYS A 153 -6.531 -3.860 -15.244 1.00 0.00 C ATOM 456 NZ LYS A 153 -5.825 -4.559 -16.334 1.00 0.00 N ATOM 0 H LYS A 153 -6.030 -0.089 -13.856 1.00 0.00 H new ATOM 0 HA LYS A 153 -8.587 0.379 -15.255 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -7.791 -1.793 -16.462 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -7.090 -0.252 -16.916 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.323 -1.911 -16.737 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.118 -0.715 -15.473 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -4.730 -2.920 -14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.199 -2.264 -13.841 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -6.681 -4.545 -14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.519 -3.554 -15.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -6.299 -5.464 -16.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -5.838 -3.969 -17.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.840 -4.738 -16.051 1.00 0.00 H new ATOM 470 N LEU A 154 -8.306 -1.332 -12.743 1.00 0.00 N ATOM 471 CA LEU A 154 -8.946 -2.199 -11.759 1.00 0.00 C ATOM 472 C LEU A 154 -9.685 -1.338 -10.735 1.00 0.00 C ATOM 473 O LEU A 154 -9.493 -0.121 -10.712 1.00 0.00 O ATOM 474 CB LEU A 154 -7.890 -3.152 -11.173 1.00 0.00 C ATOM 475 CG LEU A 154 -6.540 -2.516 -10.881 1.00 0.00 C ATOM 476 CD1 LEU A 154 -6.661 -1.600 -9.678 1.00 0.00 C ATOM 477 CD2 LEU A 154 -5.547 -3.637 -10.594 1.00 0.00 C ATOM 0 H LEU A 154 -7.615 -0.706 -12.331 1.00 0.00 H new ATOM 0 HA LEU A 154 -9.708 -2.838 -12.206 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.281 -3.579 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.742 -3.978 -11.869 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.199 -1.924 -11.731 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.693 -1.144 -9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.392 -0.819 -9.887 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -6.985 -2.177 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -4.567 -3.209 -10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -5.887 -4.213 -9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -5.476 -4.291 -11.463 1.00 0.00 H new ATOM 489 N PRO A 155 -10.526 -1.933 -9.876 1.00 0.00 N ATOM 490 CA PRO A 155 -11.305 -1.191 -8.897 1.00 0.00 C ATOM 491 C PRO A 155 -10.400 -0.487 -7.884 1.00 0.00 C ATOM 492 O PRO A 155 -9.195 -0.738 -7.851 1.00 0.00 O ATOM 493 CB PRO A 155 -12.217 -2.231 -8.238 1.00 0.00 C ATOM 494 CG PRO A 155 -11.486 -3.549 -8.441 1.00 0.00 C ATOM 495 CD PRO A 155 -10.811 -3.354 -9.792 1.00 0.00 C ATOM 0 HA PRO A 155 -11.888 -0.393 -9.356 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.366 -2.017 -7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.203 -2.247 -8.702 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -10.760 -3.736 -7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -12.173 -4.395 -8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -9.897 -3.943 -9.864 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -11.461 -3.674 -10.606 1.00 0.00 H new ATOM 503 N PRO A 156 -10.962 0.401 -7.049 1.00 0.00 N ATOM 504 CA PRO A 156 -10.210 1.147 -6.061 1.00 0.00 C ATOM 505 C PRO A 156 -9.647 0.202 -5.006 1.00 0.00 C ATOM 506 O PRO A 156 -10.372 -0.296 -4.147 1.00 0.00 O ATOM 507 CB PRO A 156 -11.184 2.166 -5.471 1.00 0.00 C ATOM 508 CG PRO A 156 -12.550 1.517 -5.688 1.00 0.00 C ATOM 509 CD PRO A 156 -12.368 0.747 -6.994 1.00 0.00 C ATOM 0 HA PRO A 156 -9.350 1.658 -6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -10.987 2.344 -4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -11.112 3.129 -5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.816 0.855 -4.864 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -13.342 2.262 -5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.993 -0.146 -7.013 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -12.656 1.355 -7.851 1.00 0.00 H new ATOM 517 N GLN A 157 -8.341 -0.042 -5.101 1.00 0.00 N ATOM 518 CA GLN A 157 -7.625 -0.942 -4.222 1.00 0.00 C ATOM 519 C GLN A 157 -7.258 -0.242 -2.916 1.00 0.00 C ATOM 520 O GLN A 157 -7.375 0.979 -2.814 1.00 0.00 O ATOM 521 CB GLN A 157 -6.301 -1.308 -4.895 1.00 0.00 C ATOM 522 CG GLN A 157 -6.463 -1.977 -6.255 1.00 0.00 C ATOM 523 CD GLN A 157 -7.209 -3.298 -6.153 1.00 0.00 C ATOM 524 OE1 GLN A 157 -6.947 -4.101 -5.263 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.144 -3.531 -7.071 1.00 0.00 N ATOM 0 H GLN A 157 -7.747 0.393 -5.807 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.255 -1.809 -4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.704 -0.404 -5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.743 -1.974 -4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -7.000 -1.308 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.480 -2.148 -6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.332 -2.838 -7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -8.673 -4.403 -7.051 1.00 0.00 H new ATOM 534 N PRO A 158 -6.813 -1.003 -1.916 1.00 0.00 N ATOM 535 CA PRO A 158 -6.163 -0.467 -0.734 1.00 0.00 C ATOM 536 C PRO A 158 -4.729 -0.094 -1.111 1.00 0.00 C ATOM 537 O PRO A 158 -4.328 -0.249 -2.264 1.00 0.00 O ATOM 538 CB PRO A 158 -6.206 -1.613 0.269 1.00 0.00 C ATOM 539 CG PRO A 158 -6.120 -2.858 -0.610 1.00 0.00 C ATOM 540 CD PRO A 158 -6.890 -2.453 -1.861 1.00 0.00 C ATOM 0 HA PRO A 158 -6.633 0.427 -0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.376 -1.561 0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.124 -1.599 0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.087 -3.119 -0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -6.567 -3.726 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.453 -2.903 -2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -7.926 -2.789 -1.809 1.00 0.00 H new ATOM 548 N LYS A 159 -3.944 0.389 -0.148 1.00 0.00 N ATOM 549 CA LYS A 159 -2.527 0.638 -0.346 1.00 0.00 C ATOM 550 C LYS A 159 -1.754 -0.159 0.692 1.00 0.00 C ATOM 551 O LYS A 159 -1.746 0.169 1.877 1.00 0.00 O ATOM 552 CB LYS A 159 -2.188 2.138 -0.322 1.00 0.00 C ATOM 553 CG LYS A 159 -3.087 3.013 0.550 1.00 0.00 C ATOM 554 CD LYS A 159 -2.525 4.433 0.619 1.00 0.00 C ATOM 555 CE LYS A 159 -1.469 4.545 1.713 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.098 4.493 3.044 1.00 0.00 N ATOM 0 H LYS A 159 -4.278 0.617 0.789 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.233 0.305 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.160 2.253 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.227 2.516 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.097 3.032 0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.157 2.591 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.089 4.703 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -3.332 5.139 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -0.747 3.735 1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -0.918 5.479 1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -1.417 4.118 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.388 5.450 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -2.933 3.874 3.009 1.00 0.00 H new ATOM 570 N LYS A 160 -1.105 -1.227 0.224 1.00 0.00 N ATOM 571 CA LYS A 160 -0.383 -2.163 1.072 1.00 0.00 C ATOM 572 C LYS A 160 0.986 -1.618 1.446 1.00 0.00 C ATOM 573 O LYS A 160 1.530 -0.742 0.769 1.00 0.00 O ATOM 574 CB LYS A 160 -0.173 -3.465 0.309 1.00 0.00 C ATOM 575 CG LYS A 160 -1.485 -4.155 -0.044 1.00 0.00 C ATOM 576 CD LYS A 160 -1.245 -5.190 -1.134 1.00 0.00 C ATOM 577 CE LYS A 160 -2.535 -5.305 -1.933 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.354 -6.149 -3.128 1.00 0.00 N ATOM 0 H LYS A 160 -1.069 -1.464 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.969 -2.322 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.383 -3.260 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.438 -4.139 0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.904 -4.635 0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.214 -3.419 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.419 -4.887 -1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -0.974 -6.152 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.318 -5.727 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.868 -4.312 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.251 -6.207 -3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.623 -5.733 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.060 -7.103 -2.838 1.00 0.00 H new ATOM 592 N CYS A 161 1.542 -2.156 2.534 1.00 0.00 N ATOM 593 CA CYS A 161 2.922 -1.921 2.912 1.00 0.00 C ATOM 594 C CYS A 161 3.835 -2.288 1.739 1.00 0.00 C ATOM 595 O CYS A 161 3.797 -3.410 1.241 1.00 0.00 O ATOM 596 CB CYS A 161 3.194 -2.773 4.151 1.00 0.00 C ATOM 597 SG CYS A 161 4.932 -2.720 4.613 1.00 0.00 S ATOM 0 H CYS A 161 1.038 -2.769 3.175 1.00 0.00 H new ATOM 0 HA CYS A 161 3.116 -0.875 3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.584 -2.417 4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.898 -3.804 3.958 1.00 0.00 H new ATOM 602 N HIS A 162 4.670 -1.345 1.297 1.00 0.00 N ATOM 603 CA HIS A 162 5.622 -1.545 0.207 1.00 0.00 C ATOM 604 C HIS A 162 6.743 -2.502 0.617 1.00 0.00 C ATOM 605 O HIS A 162 7.751 -2.614 -0.085 1.00 0.00 O ATOM 606 CB HIS A 162 6.211 -0.186 -0.196 1.00 0.00 C ATOM 607 CG HIS A 162 5.301 0.660 -1.034 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.391 0.183 -1.987 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.241 2.021 -0.999 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.813 1.281 -2.501 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.301 2.393 -1.927 1.00 0.00 N ATOM 0 H HIS A 162 4.703 -0.406 1.694 1.00 0.00 H new ATOM 0 HA HIS A 162 5.099 -1.991 -0.639 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.470 0.366 0.707 1.00 0.00 H new ATOM 0 HB3 HIS A 162 7.138 -0.354 -0.744 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.819 2.677 -0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 162 3.057 1.271 -3.272 1.00 0.00 H new ATOM 0 HE2 HIS A 162 4.021 3.350 -2.144 1.00 0.00 H new ATOM 619 N PHE A 163 6.574 -3.187 1.751 1.00 0.00 N ATOM 620 CA PHE A 163 7.641 -3.960 2.362 1.00 0.00 C ATOM 621 C PHE A 163 7.197 -5.375 2.731 1.00 0.00 C ATOM 622 O PHE A 163 7.998 -6.307 2.642 1.00 0.00 O ATOM 623 CB PHE A 163 8.029 -3.197 3.610 1.00 0.00 C ATOM 624 CG PHE A 163 9.420 -3.433 4.128 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.716 -4.608 4.834 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.403 -2.462 3.918 1.00 0.00 C ATOM 627 CE1 PHE A 163 11.020 -4.813 5.308 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.691 -2.651 4.423 1.00 0.00 C ATOM 629 CZ PHE A 163 12.005 -3.831 5.101 1.00 0.00 C ATOM 0 H PHE A 163 5.693 -3.217 2.265 1.00 0.00 H new ATOM 0 HA PHE A 163 8.471 -4.079 1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.915 -2.132 3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.322 -3.450 4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.948 -5.347 5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 163 10.166 -1.565 3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.267 -5.725 5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.442 -1.887 4.290 1.00 0.00 H new ATOM 0 HZ PHE A 163 13.008 -3.990 5.468 1.00 0.00 H new ATOM 639 N CYS A 164 5.934 -5.537 3.140 1.00 0.00 N ATOM 640 CA CYS A 164 5.386 -6.854 3.451 1.00 0.00 C ATOM 641 C CYS A 164 4.001 -7.051 2.822 1.00 0.00 C ATOM 642 O CYS A 164 3.364 -8.087 3.018 1.00 0.00 O ATOM 643 CB CYS A 164 5.301 -6.985 4.961 1.00 0.00 C ATOM 644 SG CYS A 164 4.024 -5.847 5.531 1.00 0.00 S ATOM 0 H CYS A 164 5.274 -4.769 3.262 1.00 0.00 H new ATOM 0 HA CYS A 164 6.038 -7.622 3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.057 -8.009 5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.260 -6.747 5.421 1.00 0.00 H new ATOM 649 N GLN A 165 3.550 -6.047 2.069 1.00 0.00 N ATOM 650 CA GLN A 165 2.247 -5.985 1.413 1.00 0.00 C ATOM 651 C GLN A 165 1.068 -6.082 2.383 1.00 0.00 C ATOM 652 O GLN A 165 -0.026 -6.467 1.985 1.00 0.00 O ATOM 653 CB GLN A 165 2.155 -6.982 0.259 1.00 0.00 C ATOM 654 CG GLN A 165 3.112 -6.596 -0.873 1.00 0.00 C ATOM 655 CD GLN A 165 4.574 -6.834 -0.510 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.004 -7.975 -0.364 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.343 -5.759 -0.359 1.00 0.00 N ATOM 0 H GLN A 165 4.113 -5.215 1.892 1.00 0.00 H new ATOM 0 HA GLN A 165 2.166 -4.987 0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.394 -7.983 0.618 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.133 -7.015 -0.118 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.865 -7.171 -1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.970 -5.544 -1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.948 -4.827 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.327 -5.866 -0.113 1.00 0.00 H new ATOM 666 N SER A 166 1.280 -5.735 3.658 1.00 0.00 N ATOM 667 CA SER A 166 0.212 -5.704 4.646 1.00 0.00 C ATOM 668 C SER A 166 -0.496 -4.350 4.622 1.00 0.00 C ATOM 669 O SER A 166 0.113 -3.327 4.933 1.00 0.00 O ATOM 670 CB SER A 166 0.814 -5.915 6.031 1.00 0.00 C ATOM 671 OG SER A 166 1.456 -7.172 6.095 1.00 0.00 O ATOM 0 H SER A 166 2.194 -5.470 4.026 1.00 0.00 H new ATOM 0 HA SER A 166 -0.508 -6.489 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.528 -5.121 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.032 -5.858 6.788 1.00 0.00 H new ATOM 0 HG SER A 166 2.425 -7.042 6.156 1.00 0.00 H new ATOM 677 N ILE A 167 -1.781 -4.337 4.258 1.00 0.00 N ATOM 678 CA ILE A 167 -2.624 -3.145 4.334 1.00 0.00 C ATOM 679 C ILE A 167 -2.871 -2.728 5.779 1.00 0.00 C ATOM 680 O ILE A 167 -3.257 -1.592 6.040 1.00 0.00 O ATOM 681 CB ILE A 167 -3.973 -3.417 3.670 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.665 -4.601 4.362 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.757 -3.706 2.189 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.757 -5.209 3.492 1.00 0.00 C ATOM 0 H ILE A 167 -2.267 -5.159 3.900 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.100 -2.340 3.818 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.615 -2.542 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.925 -5.364 4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.096 -4.268 5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.718 -3.901 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.285 -2.845 1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.114 -4.579 2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.220 -6.043 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.512 -4.453 3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.322 -5.567 2.559 1.00 0.00 H new ATOM 696 N SER A 168 -2.644 -3.652 6.711 1.00 0.00 N ATOM 697 CA SER A 168 -2.726 -3.412 8.141 1.00 0.00 C ATOM 698 C SER A 168 -1.998 -2.126 8.506 1.00 0.00 C ATOM 699 O SER A 168 -2.533 -1.288 9.230 1.00 0.00 O ATOM 700 CB SER A 168 -2.187 -4.627 8.889 1.00 0.00 C ATOM 701 OG SER A 168 -2.288 -4.414 10.281 1.00 0.00 O ATOM 0 H SER A 168 -2.391 -4.613 6.480 1.00 0.00 H new ATOM 0 HA SER A 168 -3.766 -3.275 8.439 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.748 -5.518 8.606 1.00 0.00 H new ATOM 0 HB3 SER A 168 -1.147 -4.804 8.613 1.00 0.00 H new ATOM 0 HG SER A 168 -1.942 -5.197 10.758 1.00 0.00 H new ATOM 707 N HIS A 169 -0.770 -1.986 8.002 1.00 0.00 N ATOM 708 CA HIS A 169 0.104 -0.854 8.270 1.00 0.00 C ATOM 709 C HIS A 169 0.691 -0.332 6.963 1.00 0.00 C ATOM 710 O HIS A 169 0.177 -0.610 5.883 1.00 0.00 O ATOM 711 CB HIS A 169 1.204 -1.292 9.238 1.00 0.00 C ATOM 712 CG HIS A 169 1.978 -2.491 8.749 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.832 -3.789 9.175 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.967 -2.501 7.801 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.714 -4.552 8.505 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.436 -3.808 7.654 1.00 0.00 N ATOM 0 H HIS A 169 -0.350 -2.677 7.381 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.462 -0.043 8.729 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.893 -0.462 9.396 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.758 -1.524 10.205 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.169 -4.117 9.878 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.325 -1.640 7.257 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.826 -5.618 8.635 1.00 0.00 H new ATOM 724 N MET A 170 1.778 0.434 7.066 1.00 0.00 N ATOM 725 CA MET A 170 2.501 0.966 5.927 1.00 0.00 C ATOM 726 C MET A 170 3.973 0.617 6.105 1.00 0.00 C ATOM 727 O MET A 170 4.391 0.287 7.213 1.00 0.00 O ATOM 728 CB MET A 170 2.364 2.487 5.920 1.00 0.00 C ATOM 729 CG MET A 170 0.928 2.970 5.708 1.00 0.00 C ATOM 730 SD MET A 170 0.519 3.395 3.994 1.00 0.00 S ATOM 731 CE MET A 170 0.461 1.755 3.229 1.00 0.00 C ATOM 0 H MET A 170 2.182 0.703 7.963 1.00 0.00 H new ATOM 0 HA MET A 170 2.110 0.552 4.998 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.736 2.882 6.866 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.997 2.897 5.133 1.00 0.00 H new ATOM 0 HG2 MET A 170 0.243 2.193 6.049 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.756 3.844 6.336 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.116 1.846 2.199 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.457 1.313 3.240 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.225 1.118 3.786 1.00 0.00 H new ATOM 741 N VAL A 171 4.772 0.684 5.043 1.00 0.00 N ATOM 742 CA VAL A 171 6.209 0.505 5.182 1.00 0.00 C ATOM 743 C VAL A 171 6.739 1.536 6.164 1.00 0.00 C ATOM 744 O VAL A 171 7.795 1.349 6.765 1.00 0.00 O ATOM 745 CB VAL A 171 6.906 0.664 3.840 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.904 2.130 3.428 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.355 0.227 3.917 1.00 0.00 C ATOM 0 H VAL A 171 4.452 0.859 4.090 1.00 0.00 H new ATOM 0 HA VAL A 171 6.409 -0.501 5.550 1.00 0.00 H new ATOM 0 HB VAL A 171 6.368 0.046 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.405 2.238 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.876 2.483 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.430 2.720 4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.825 0.353 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.880 0.835 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.404 -0.822 4.211 1.00 0.00 H new ATOM 757 N ALA A 172 5.987 2.627 6.318 1.00 0.00 N ATOM 758 CA ALA A 172 6.328 3.685 7.231 1.00 0.00 C ATOM 759 C ALA A 172 6.277 3.204 8.680 1.00 0.00 C ATOM 760 O ALA A 172 6.676 3.918 9.598 1.00 0.00 O ATOM 761 CB ALA A 172 5.345 4.826 7.031 1.00 0.00 C ATOM 0 H ALA A 172 5.122 2.789 5.803 1.00 0.00 H new ATOM 0 HA ALA A 172 7.346 4.017 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.587 5.639 7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.408 5.185 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.333 4.474 7.230 1.00 0.00 H new ATOM 767 N SER A 173 5.777 1.982 8.864 1.00 0.00 N ATOM 768 CA SER A 173 5.578 1.365 10.164 1.00 0.00 C ATOM 769 C SER A 173 5.778 -0.145 10.103 1.00 0.00 C ATOM 770 O SER A 173 5.432 -0.839 11.054 1.00 0.00 O ATOM 771 CB SER A 173 4.148 1.660 10.617 1.00 0.00 C ATOM 772 OG SER A 173 4.075 1.654 12.028 1.00 0.00 O ATOM 0 H SER A 173 5.493 1.383 8.089 1.00 0.00 H new ATOM 0 HA SER A 173 6.308 1.773 10.863 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.829 2.629 10.233 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.467 0.914 10.207 1.00 0.00 H new ATOM 0 HG SER A 173 4.484 0.833 12.373 1.00 0.00 H new ATOM 778 N CYS A 174 6.332 -0.665 8.998 1.00 0.00 N ATOM 779 CA CYS A 174 6.453 -2.112 8.830 1.00 0.00 C ATOM 780 C CYS A 174 7.124 -2.749 10.053 1.00 0.00 C ATOM 781 O CYS A 174 8.152 -2.257 10.519 1.00 0.00 O ATOM 782 CB CYS A 174 7.217 -2.460 7.552 1.00 0.00 C ATOM 783 SG CYS A 174 6.918 -4.197 7.139 1.00 0.00 S ATOM 0 H CYS A 174 6.696 -0.112 8.222 1.00 0.00 H new ATOM 0 HA CYS A 174 5.447 -2.521 8.740 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.893 -1.817 6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.284 -2.285 7.692 1.00 0.00 H new ATOM 788 N PRO A 175 6.566 -3.843 10.591 1.00 0.00 N ATOM 789 CA PRO A 175 7.135 -4.552 11.720 1.00 0.00 C ATOM 790 C PRO A 175 8.369 -5.340 11.291 1.00 0.00 C ATOM 791 O PRO A 175 9.129 -5.801 12.143 1.00 0.00 O ATOM 792 CB PRO A 175 6.026 -5.489 12.192 1.00 0.00 C ATOM 793 CG PRO A 175 5.270 -5.796 10.899 1.00 0.00 C ATOM 794 CD PRO A 175 5.343 -4.473 10.148 1.00 0.00 C ATOM 0 HA PRO A 175 7.462 -3.877 12.511 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.428 -6.393 12.650 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.383 -5.014 12.933 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.737 -6.606 10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.240 -6.095 11.093 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.353 -4.634 9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.478 -3.848 10.369 1.00 0.00 H new ATOM 802 N LEU A 176 8.574 -5.501 9.977 1.00 0.00 N ATOM 803 CA LEU A 176 9.716 -6.242 9.475 1.00 0.00 C ATOM 804 C LEU A 176 10.931 -5.343 9.369 1.00 0.00 C ATOM 805 O LEU A 176 12.007 -5.704 9.836 1.00 0.00 O ATOM 806 CB LEU A 176 9.387 -6.783 8.089 1.00 0.00 C ATOM 807 CG LEU A 176 8.096 -7.594 8.086 1.00 0.00 C ATOM 808 CD1 LEU A 176 7.935 -8.180 6.696 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.169 -8.714 9.117 1.00 0.00 C ATOM 0 H LEU A 176 7.961 -5.126 9.253 1.00 0.00 H new ATOM 0 HA LEU A 176 9.935 -7.057 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.296 -5.953 7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.209 -7.408 7.739 1.00 0.00 H new ATOM 0 HG LEU A 176 7.247 -6.960 8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.019 -8.769 6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.882 -7.373 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.789 -8.819 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.240 -9.283 9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.003 -9.374 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.317 -8.287 10.109 1.00 0.00 H new ATOM 821 N LYS A 177 10.774 -4.166 8.756 1.00 0.00 N ATOM 822 CA LYS A 177 11.900 -3.271 8.559 1.00 0.00 C ATOM 823 C LYS A 177 12.564 -2.919 9.879 1.00 0.00 C ATOM 824 O LYS A 177 13.683 -2.426 9.887 1.00 0.00 O ATOM 825 CB LYS A 177 11.466 -2.023 7.811 1.00 0.00 C ATOM 826 CG LYS A 177 10.662 -1.122 8.730 1.00 0.00 C ATOM 827 CD LYS A 177 10.270 0.172 8.013 1.00 0.00 C ATOM 828 CE LYS A 177 11.460 1.117 7.847 1.00 0.00 C ATOM 829 NZ LYS A 177 11.870 1.700 9.134 1.00 0.00 N ATOM 0 H LYS A 177 9.885 -3.820 8.394 1.00 0.00 H new ATOM 0 HA LYS A 177 12.641 -3.790 7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.340 -1.489 7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.867 -2.299 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.766 -1.643 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.246 -0.888 9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.857 -0.067 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.484 0.675 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.298 0.575 7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.198 1.915 7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.496 2.513 8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.028 2.015 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 12.377 0.985 9.693 1.00 0.00 H new ATOM 843 N ALA A 178 11.878 -3.170 10.995 1.00 0.00 N ATOM 844 CA ALA A 178 12.406 -2.866 12.309 1.00 0.00 C ATOM 845 C ALA A 178 13.736 -3.565 12.564 1.00 0.00 C ATOM 846 O ALA A 178 14.470 -3.196 13.480 1.00 0.00 O ATOM 847 CB ALA A 178 11.382 -3.312 13.345 1.00 0.00 C ATOM 0 H ALA A 178 10.947 -3.587 11.005 1.00 0.00 H new ATOM 0 HA ALA A 178 12.589 -1.794 12.376 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.757 -3.093 14.345 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.445 -2.778 13.184 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.210 -4.384 13.248 1.00 0.00 H new ATOM 853 N GLN A 179 14.052 -4.576 11.753 1.00 0.00 N ATOM 854 CA GLN A 179 15.323 -5.273 11.826 1.00 0.00 C ATOM 855 C GLN A 179 15.837 -5.609 10.428 1.00 0.00 C ATOM 856 O GLN A 179 16.755 -6.414 10.282 1.00 0.00 O ATOM 857 CB GLN A 179 15.173 -6.514 12.713 1.00 0.00 C ATOM 858 CG GLN A 179 14.023 -7.424 12.264 1.00 0.00 C ATOM 859 CD GLN A 179 12.670 -7.014 12.834 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.582 -6.444 13.919 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.603 -7.300 12.101 1.00 0.00 N ATOM 0 H GLN A 179 13.428 -4.930 11.028 1.00 0.00 H new ATOM 0 HA GLN A 179 16.073 -4.626 12.282 1.00 0.00 H new ATOM 0 HB2 GLN A 179 16.105 -7.079 12.701 1.00 0.00 H new ATOM 0 HB3 GLN A 179 15.003 -6.201 13.743 1.00 0.00 H new ATOM 0 HG2 GLN A 179 13.968 -7.417 11.175 1.00 0.00 H new ATOM 0 HG3 GLN A 179 14.241 -8.448 12.566 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.712 -7.774 11.205 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.673 -7.046 12.433 1.00 0.00 H new ATOM 870 N GLN A 180 15.247 -4.995 9.391 1.00 0.00 N ATOM 871 CA GLN A 180 15.623 -5.232 8.001 1.00 0.00 C ATOM 872 C GLN A 180 15.987 -3.915 7.311 1.00 0.00 C ATOM 873 O GLN A 180 16.555 -3.916 6.219 1.00 0.00 O ATOM 874 CB GLN A 180 14.442 -5.835 7.236 1.00 0.00 C ATOM 875 CG GLN A 180 13.755 -6.993 7.947 1.00 0.00 C ATOM 876 CD GLN A 180 14.414 -8.329 7.641 1.00 0.00 C ATOM 877 OE1 GLN A 180 15.020 -8.948 8.509 1.00 0.00 O ATOM 878 NE2 GLN A 180 14.301 -8.794 6.398 1.00 0.00 N ATOM 0 H GLN A 180 14.492 -4.318 9.501 1.00 0.00 H new ATOM 0 HA GLN A 180 16.476 -5.910 7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.707 -5.052 7.051 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.793 -6.179 6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.774 -6.819 9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.707 -7.030 7.648 1.00 0.00 H new ATOM 0 HE21 GLN A 180 13.791 -8.257 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 180 14.725 -9.687 6.147 1.00 0.00 H new ATOM 887 N GLY A 181 15.644 -2.803 7.955 1.00 0.00 N ATOM 888 CA GLY A 181 15.899 -1.457 7.464 1.00 0.00 C ATOM 889 C GLY A 181 15.274 -0.439 8.420 1.00 0.00 C ATOM 890 O GLY A 181 14.411 0.338 8.006 1.00 0.00 O ATOM 0 H GLY A 181 15.168 -2.816 8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 181 16.972 -1.285 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.481 -1.338 6.464 1.00 0.00 H new ATOM 894 N PRO A 182 15.687 -0.433 9.696 1.00 0.00 N ATOM 895 CA PRO A 182 15.057 0.326 10.770 1.00 0.00 C ATOM 896 C PRO A 182 15.167 1.841 10.623 1.00 0.00 C ATOM 897 O PRO A 182 14.749 2.559 11.529 1.00 0.00 O ATOM 898 CB PRO A 182 15.730 -0.148 12.059 1.00 0.00 C ATOM 899 CG PRO A 182 17.102 -0.630 11.595 1.00 0.00 C ATOM 900 CD PRO A 182 16.811 -1.199 10.207 1.00 0.00 C ATOM 0 HA PRO A 182 13.983 0.141 10.759 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.814 0.659 12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 182 15.164 -0.949 12.535 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.824 0.185 11.554 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.512 -1.386 12.264 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.679 -1.103 9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.569 -2.260 10.262 1.00 0.00 H new ATOM 908 N SER A 183 15.712 2.345 9.515 1.00 0.00 N ATOM 909 CA SER A 183 15.810 3.780 9.291 1.00 0.00 C ATOM 910 C SER A 183 14.466 4.450 9.533 1.00 0.00 C ATOM 911 O SER A 183 13.444 4.008 9.004 1.00 0.00 O ATOM 912 CB SER A 183 16.274 4.058 7.863 1.00 0.00 C ATOM 913 OG SER A 183 17.564 3.530 7.660 1.00 0.00 O ATOM 0 H SER A 183 16.092 1.775 8.759 1.00 0.00 H new ATOM 0 HA SER A 183 16.538 4.189 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 183 15.576 3.615 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 183 16.279 5.132 7.677 1.00 0.00 H new ATOM 0 HG SER A 183 17.851 3.712 6.741 1.00 0.00 H new ATOM 919 N ALA A 184 14.474 5.513 10.334 1.00 0.00 N ATOM 920 CA ALA A 184 13.279 6.263 10.694 1.00 0.00 C ATOM 921 C ALA A 184 13.682 7.698 11.020 1.00 0.00 C ATOM 922 O ALA A 184 13.687 8.101 12.183 1.00 0.00 O ATOM 923 CB ALA A 184 12.593 5.573 11.875 1.00 0.00 C ATOM 0 H ALA A 184 15.326 5.881 10.757 1.00 0.00 H new ATOM 0 HA ALA A 184 12.567 6.291 9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 184 11.697 6.129 12.151 1.00 0.00 H new ATOM 0 HB2 ALA A 184 12.317 4.557 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 184 13.276 5.541 12.724 1.00 0.00 H new ATOM 929 N GLN A 185 14.022 8.467 9.977 1.00 0.00 N ATOM 930 CA GLN A 185 14.636 9.782 10.075 1.00 0.00 C ATOM 931 C GLN A 185 15.899 9.747 10.936 1.00 0.00 C ATOM 932 O GLN A 185 16.360 10.771 11.439 1.00 0.00 O ATOM 933 CB GLN A 185 13.600 10.796 10.557 1.00 0.00 C ATOM 934 CG GLN A 185 12.378 10.853 9.628 1.00 0.00 C ATOM 935 CD GLN A 185 12.765 11.094 8.175 1.00 0.00 C ATOM 936 OE1 GLN A 185 13.226 12.171 7.807 1.00 0.00 O ATOM 937 NE2 GLN A 185 12.577 10.080 7.334 1.00 0.00 N ATOM 0 H GLN A 185 13.869 8.173 9.012 1.00 0.00 H new ATOM 0 HA GLN A 185 14.970 10.102 9.088 1.00 0.00 H new ATOM 0 HB2 GLN A 185 13.278 10.534 11.565 1.00 0.00 H new ATOM 0 HB3 GLN A 185 14.058 11.783 10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 185 11.824 9.918 9.703 1.00 0.00 H new ATOM 0 HG3 GLN A 185 11.709 11.647 9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 185 12.192 9.199 7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 185 12.818 10.183 6.348 1.00 0.00 H new ATOM 946 N GLY A 186 16.469 8.549 11.102 1.00 0.00 N ATOM 947 CA GLY A 186 17.679 8.302 11.865 1.00 0.00 C ATOM 948 C GLY A 186 18.046 6.828 11.752 1.00 0.00 C ATOM 949 O GLY A 186 17.102 6.013 11.638 1.00 0.00 O ATOM 950 OXT GLY A 186 19.256 6.528 11.778 1.00 0.00 O ATOM 0 H GLY A 186 16.080 7.700 10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 186 18.493 8.922 11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 186 17.527 8.573 12.910 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 12.102 7.186 3.906 1.00 0.00 O ATOM 956 C5' A B 1 10.877 6.760 4.465 1.00 0.00 C ATOM 957 C4' A B 1 9.720 7.107 3.535 1.00 0.00 C ATOM 958 O4' A B 1 9.802 6.315 2.362 1.00 0.00 O ATOM 959 C3' A B 1 8.384 6.803 4.203 1.00 0.00 C ATOM 960 O3' A B 1 7.478 7.755 3.686 1.00 0.00 O ATOM 961 C2' A B 1 8.104 5.407 3.677 1.00 0.00 C ATOM 962 O2' A B 1 6.731 5.117 3.776 1.00 0.00 O ATOM 963 C1' A B 1 8.587 5.602 2.249 1.00 0.00 C ATOM 964 N9 A B 1 8.736 4.336 1.495 1.00 0.00 N ATOM 965 C8 A B 1 8.055 3.988 0.358 1.00 0.00 C ATOM 966 N7 A B 1 8.383 2.822 -0.122 1.00 0.00 N ATOM 967 C5 A B 1 9.338 2.354 0.780 1.00 0.00 C ATOM 968 C6 A B 1 10.078 1.158 0.851 1.00 0.00 C ATOM 969 N6 A B 1 9.984 0.184 -0.053 1.00 0.00 N ATOM 970 N1 A B 1 10.912 0.982 1.881 1.00 0.00 N ATOM 971 C2 A B 1 11.008 1.934 2.797 1.00 0.00 C ATOM 972 N3 A B 1 10.378 3.103 2.852 1.00 0.00 N ATOM 973 C4 A B 1 9.542 3.256 1.789 1.00 0.00 C ATOM 0 H5' A B 1 10.728 7.235 5.435 1.00 0.00 H new ATOM 0 H5'' A B 1 10.903 5.684 4.638 1.00 0.00 H new ATOM 0 H4' A B 1 9.784 8.169 3.297 1.00 0.00 H new ATOM 0 H3' A B 1 8.336 6.847 5.291 1.00 0.00 H new ATOM 0 H2' A B 1 8.574 4.571 4.196 1.00 0.00 H new ATOM 0 HO2' A B 1 6.240 5.621 3.094 1.00 0.00 H new ATOM 0 HO5' A B 1 12.109 8.164 3.841 1.00 0.00 H new ATOM 0 H1' A B 1 7.850 6.151 1.663 1.00 0.00 H new ATOM 0 H8 A B 1 7.312 4.624 -0.100 1.00 0.00 H new ATOM 0 H61 A B 1 10.545 -0.662 0.049 1.00 0.00 H new ATOM 0 H62 A B 1 9.351 0.284 -0.847 1.00 0.00 H new ATOM 0 H2 A B 1 11.691 1.733 3.609 1.00 0.00 H new ATOM 986 P G B 2 6.480 8.570 4.638 1.00 0.00 P ATOM 987 OP1 G B 2 6.739 10.017 4.439 1.00 0.00 O ATOM 988 OP2 G B 2 6.542 7.997 5.996 1.00 0.00 O ATOM 989 O5' G B 2 5.033 8.255 4.016 1.00 0.00 O ATOM 990 C5' G B 2 4.516 9.057 2.969 1.00 0.00 C ATOM 991 C4' G B 2 3.088 8.668 2.594 1.00 0.00 C ATOM 992 O4' G B 2 3.068 7.663 1.597 1.00 0.00 O ATOM 993 C3' G B 2 2.277 8.170 3.799 1.00 0.00 C ATOM 994 O3' G B 2 1.531 9.143 4.524 1.00 0.00 O ATOM 995 C2' G B 2 1.367 7.113 3.180 1.00 0.00 C ATOM 996 O2' G B 2 0.136 7.642 2.735 1.00 0.00 O ATOM 997 C1' G B 2 2.165 6.645 1.969 1.00 0.00 C ATOM 998 N9 G B 2 2.941 5.434 2.289 1.00 0.00 N ATOM 999 C8 G B 2 3.942 5.239 3.218 1.00 0.00 C ATOM 1000 N7 G B 2 4.307 3.996 3.304 1.00 0.00 N ATOM 1001 C5 G B 2 3.586 3.343 2.323 1.00 0.00 C ATOM 1002 C6 G B 2 3.632 1.986 1.926 1.00 0.00 C ATOM 1003 O6 G B 2 4.291 1.077 2.405 1.00 0.00 O ATOM 1004 N1 G B 2 2.801 1.730 0.858 1.00 0.00 N ATOM 1005 C2 G B 2 1.991 2.661 0.253 1.00 0.00 C ATOM 1006 N2 G B 2 1.259 2.226 -0.768 1.00 0.00 N ATOM 1007 N3 G B 2 1.920 3.940 0.638 1.00 0.00 N ATOM 1008 C4 G B 2 2.758 4.216 1.674 1.00 0.00 C ATOM 0 H5' G B 2 5.158 8.965 2.093 1.00 0.00 H new ATOM 0 H5'' G B 2 4.538 10.104 3.271 1.00 0.00 H new ATOM 0 H4' G B 2 2.628 9.580 2.212 1.00 0.00 H new ATOM 0 H3' G B 2 2.952 7.811 4.576 1.00 0.00 H new ATOM 0 H2' G B 2 1.113 6.335 3.900 1.00 0.00 H new ATOM 0 HO2' G B 2 0.292 8.498 2.283 1.00 0.00 H new ATOM 0 H1' G B 2 1.470 6.421 1.160 1.00 0.00 H new ATOM 0 H8 G B 2 4.374 6.033 3.809 1.00 0.00 H new ATOM 0 H1 G B 2 2.786 0.779 0.489 1.00 0.00 H new ATOM 0 H21 G B 2 0.637 2.868 -1.260 1.00 0.00 H new ATOM 0 H22 G B 2 1.319 1.250 -1.060 1.00 0.00 H new ATOM 1020 P G B 3 1.096 10.570 3.909 1.00 0.00 P ATOM 1021 OP1 G B 3 2.313 11.378 3.680 1.00 0.00 O ATOM 1022 OP2 G B 3 0.010 11.116 4.746 1.00 0.00 O ATOM 1023 O5' G B 3 0.481 10.167 2.486 1.00 0.00 O ATOM 1024 C5' G B 3 -0.480 10.975 1.849 1.00 0.00 C ATOM 1025 C4' G B 3 -0.701 10.420 0.444 1.00 0.00 C ATOM 1026 O4' G B 3 -1.409 9.188 0.495 1.00 0.00 O ATOM 1027 C3' G B 3 -1.540 11.394 -0.390 1.00 0.00 C ATOM 1028 O3' G B 3 -0.967 11.466 -1.679 1.00 0.00 O ATOM 1029 C2' G B 3 -2.888 10.693 -0.451 1.00 0.00 C ATOM 1030 O2' G B 3 -3.654 11.076 -1.573 1.00 0.00 O ATOM 1031 C1' G B 3 -2.403 9.254 -0.506 1.00 0.00 C ATOM 1032 N9 G B 3 -3.495 8.284 -0.313 1.00 0.00 N ATOM 1033 C8 G B 3 -3.905 7.316 -1.188 1.00 0.00 C ATOM 1034 N7 G B 3 -4.920 6.615 -0.768 1.00 0.00 N ATOM 1035 C5 G B 3 -5.209 7.163 0.480 1.00 0.00 C ATOM 1036 C6 G B 3 -6.205 6.808 1.431 1.00 0.00 C ATOM 1037 O6 G B 3 -7.063 5.928 1.359 1.00 0.00 O ATOM 1038 N1 G B 3 -6.150 7.601 2.563 1.00 0.00 N ATOM 1039 C2 G B 3 -5.254 8.624 2.758 1.00 0.00 C ATOM 1040 N2 G B 3 -5.356 9.285 3.905 1.00 0.00 N ATOM 1041 N3 G B 3 -4.310 8.965 1.879 1.00 0.00 N ATOM 1042 C4 G B 3 -4.340 8.190 0.763 1.00 0.00 C ATOM 0 H5' G B 3 -0.138 12.009 1.802 1.00 0.00 H new ATOM 0 H5'' G B 3 -1.414 10.973 2.411 1.00 0.00 H new ATOM 0 H4' G B 3 0.281 10.275 -0.005 1.00 0.00 H new ATOM 0 H3' G B 3 -1.605 12.408 0.006 1.00 0.00 H new ATOM 0 H2' G B 3 -3.574 10.915 0.367 1.00 0.00 H new ATOM 0 HO2' G B 3 -4.059 10.281 -1.979 1.00 0.00 H new ATOM 0 H1' G B 3 -2.005 8.984 -1.484 1.00 0.00 H new ATOM 0 H8 G B 3 -3.429 7.147 -2.143 1.00 0.00 H new ATOM 0 H1 G B 3 -6.823 7.413 3.306 1.00 0.00 H new ATOM 0 H21 G B 3 -4.719 10.055 4.108 1.00 0.00 H new ATOM 0 H22 G B 3 -6.071 9.023 4.583 1.00 0.00 H new ATOM 1054 P A B 4 -1.069 12.809 -2.549 1.00 0.00 P ATOM 1055 OP1 A B 4 0.316 13.262 -2.786 1.00 0.00 O ATOM 1056 OP2 A B 4 -2.027 13.731 -1.899 1.00 0.00 O ATOM 1057 O5' A B 4 -1.706 12.360 -3.954 1.00 0.00 O ATOM 1058 C5' A B 4 -0.917 11.694 -4.921 1.00 0.00 C ATOM 1059 C4' A B 4 -1.522 11.758 -6.325 1.00 0.00 C ATOM 1060 O4' A B 4 -2.346 10.635 -6.581 1.00 0.00 O ATOM 1061 C3' A B 4 -2.376 13.008 -6.524 1.00 0.00 C ATOM 1062 O3' A B 4 -2.323 13.383 -7.888 1.00 0.00 O ATOM 1063 C2' A B 4 -3.765 12.492 -6.162 1.00 0.00 C ATOM 1064 O2' A B 4 -4.792 13.229 -6.793 1.00 0.00 O ATOM 1065 C1' A B 4 -3.698 11.054 -6.669 1.00 0.00 C ATOM 1066 N9 A B 4 -4.548 10.174 -5.858 1.00 0.00 N ATOM 1067 C8 A B 4 -4.606 10.083 -4.495 1.00 0.00 C ATOM 1068 N7 A B 4 -5.445 9.177 -4.059 1.00 0.00 N ATOM 1069 C5 A B 4 -5.998 8.653 -5.231 1.00 0.00 C ATOM 1070 C6 A B 4 -6.955 7.655 -5.492 1.00 0.00 C ATOM 1071 N6 A B 4 -7.564 6.943 -4.538 1.00 0.00 N ATOM 1072 N1 A B 4 -7.283 7.401 -6.764 1.00 0.00 N ATOM 1073 C2 A B 4 -6.693 8.090 -7.731 1.00 0.00 C ATOM 1074 N3 A B 4 -5.771 9.036 -7.630 1.00 0.00 N ATOM 1075 C4 A B 4 -5.465 9.269 -6.330 1.00 0.00 C ATOM 0 H5' A B 4 -0.797 10.651 -4.629 1.00 0.00 H new ATOM 0 H5'' A B 4 0.079 12.137 -4.939 1.00 0.00 H new ATOM 0 H4' A B 4 -0.676 11.776 -7.013 1.00 0.00 H new ATOM 0 H3' A B 4 -2.070 13.878 -5.943 1.00 0.00 H new ATOM 0 H2' A B 4 -4.003 12.578 -5.102 1.00 0.00 H new ATOM 0 HO2' A B 4 -5.664 12.863 -6.534 1.00 0.00 H new ATOM 0 H1' A B 4 -4.057 11.003 -7.697 1.00 0.00 H new ATOM 0 H8 A B 4 -4.014 10.702 -3.838 1.00 0.00 H new ATOM 0 H61 A B 4 -8.250 6.232 -4.792 1.00 0.00 H new ATOM 0 H62 A B 4 -7.342 7.111 -3.557 1.00 0.00 H new ATOM 0 H2 A B 4 -7.006 7.848 -8.736 1.00 0.00 H new ATOM 1087 P G B 5 -2.500 14.910 -8.360 1.00 0.00 P ATOM 1088 OP1 G B 5 -2.721 15.762 -7.173 1.00 0.00 O ATOM 1089 OP2 G B 5 -3.460 14.941 -9.484 1.00 0.00 O ATOM 1090 O5' G B 5 -1.044 15.218 -8.959 1.00 0.00 O ATOM 1091 C5' G B 5 0.019 15.575 -8.101 1.00 0.00 C ATOM 1092 C4' G B 5 1.306 14.847 -8.495 1.00 0.00 C ATOM 1093 O4' G B 5 1.175 13.468 -8.184 1.00 0.00 O ATOM 1094 C3' G B 5 1.652 14.965 -9.980 1.00 0.00 C ATOM 1095 O3' G B 5 3.055 15.088 -10.120 1.00 0.00 O ATOM 1096 C2' G B 5 1.182 13.623 -10.513 1.00 0.00 C ATOM 1097 O2' G B 5 1.863 13.251 -11.694 1.00 0.00 O ATOM 1098 C1' G B 5 1.474 12.699 -9.336 1.00 0.00 C ATOM 1099 N9 G B 5 0.628 11.488 -9.366 1.00 0.00 N ATOM 1100 C8 G B 5 -0.721 11.395 -9.601 1.00 0.00 C ATOM 1101 N7 G B 5 -1.198 10.188 -9.506 1.00 0.00 N ATOM 1102 C5 G B 5 -0.079 9.412 -9.212 1.00 0.00 C ATOM 1103 C6 G B 5 0.042 8.010 -8.978 1.00 0.00 C ATOM 1104 O6 G B 5 -0.836 7.149 -8.973 1.00 0.00 O ATOM 1105 N1 G B 5 1.352 7.634 -8.731 1.00 0.00 N ATOM 1106 C2 G B 5 2.425 8.489 -8.736 1.00 0.00 C ATOM 1107 N2 G B 5 3.617 7.949 -8.524 1.00 0.00 N ATOM 1108 N3 G B 5 2.328 9.807 -8.934 1.00 0.00 N ATOM 1109 C4 G B 5 1.048 10.197 -9.166 1.00 0.00 C ATOM 0 H5' G B 5 -0.241 15.330 -7.071 1.00 0.00 H new ATOM 0 H5'' G B 5 0.179 16.652 -8.142 1.00 0.00 H new ATOM 0 H4' G B 5 2.110 15.323 -7.933 1.00 0.00 H new ATOM 0 H3' G B 5 1.207 15.820 -10.489 1.00 0.00 H new ATOM 0 H2' G B 5 0.136 13.608 -10.819 1.00 0.00 H new ATOM 0 HO2' G B 5 2.705 13.748 -11.757 1.00 0.00 H new ATOM 0 H1' G B 5 2.507 12.350 -9.358 1.00 0.00 H new ATOM 0 H8 G B 5 -1.334 12.250 -9.844 1.00 0.00 H new ATOM 0 H1 G B 5 1.532 6.650 -8.531 1.00 0.00 H new ATOM 0 H21 G B 5 4.450 8.538 -8.517 1.00 0.00 H new ATOM 0 H22 G B 5 3.701 6.945 -8.368 1.00 0.00 H new ATOM 1121 P A B 6 3.784 16.511 -9.967 1.00 0.00 P ATOM 1122 OP1 A B 6 3.074 17.476 -10.832 1.00 0.00 O ATOM 1123 OP2 A B 6 5.240 16.298 -10.155 1.00 0.00 O ATOM 1124 O5' A B 6 3.540 16.930 -8.438 1.00 0.00 O ATOM 1125 C5' A B 6 3.322 18.283 -8.091 1.00 0.00 C ATOM 1126 C4' A B 6 3.090 18.400 -6.582 1.00 0.00 C ATOM 1127 O4' A B 6 4.317 18.161 -5.900 1.00 0.00 O ATOM 1128 C3' A B 6 2.651 19.814 -6.219 1.00 0.00 C ATOM 1129 O3' A B 6 1.897 19.748 -5.017 1.00 0.00 O ATOM 1130 C2' A B 6 4.010 20.461 -6.005 1.00 0.00 C ATOM 1131 O2' A B 6 3.969 21.692 -5.317 1.00 0.00 O ATOM 1132 C1' A B 6 4.677 19.346 -5.220 1.00 0.00 C ATOM 1133 N9 A B 6 6.140 19.523 -5.122 1.00 0.00 N ATOM 1134 C8 A B 6 6.959 20.340 -5.856 1.00 0.00 C ATOM 1135 N7 A B 6 8.213 20.302 -5.492 1.00 0.00 N ATOM 1136 C5 A B 6 8.222 19.383 -4.445 1.00 0.00 C ATOM 1137 C6 A B 6 9.235 18.883 -3.603 1.00 0.00 C ATOM 1138 N6 A B 6 10.511 19.257 -3.682 1.00 0.00 N ATOM 1139 N1 A B 6 8.903 17.981 -2.672 1.00 0.00 N ATOM 1140 C2 A B 6 7.633 17.599 -2.575 1.00 0.00 C ATOM 1141 N3 A B 6 6.593 17.991 -3.289 1.00 0.00 N ATOM 1142 C4 A B 6 6.962 18.895 -4.223 1.00 0.00 C ATOM 0 H5' A B 6 2.460 18.672 -8.632 1.00 0.00 H new ATOM 0 H5'' A B 6 4.181 18.886 -8.384 1.00 0.00 H new ATOM 0 H4' A B 6 2.324 17.678 -6.298 1.00 0.00 H new ATOM 0 H3' A B 6 2.025 20.341 -6.939 1.00 0.00 H new ATOM 0 H2' A B 6 4.521 20.765 -6.918 1.00 0.00 H new ATOM 0 HO2' A B 6 3.365 21.617 -4.549 1.00 0.00 H new ATOM 0 H1' A B 6 4.347 19.329 -4.181 1.00 0.00 H new ATOM 0 H8 A B 6 6.600 20.960 -6.664 1.00 0.00 H new ATOM 0 H61 A B 6 11.200 18.859 -3.043 1.00 0.00 H new ATOM 0 H62 A B 6 10.799 19.942 -4.381 1.00 0.00 H new ATOM 0 H2 A B 6 7.423 16.869 -1.808 1.00 0.00 H new ATOM 1154 P U B 7 0.961 20.969 -4.556 1.00 0.00 P ATOM 1155 OP1 U B 7 0.055 21.287 -5.681 1.00 0.00 O ATOM 1156 OP2 U B 7 1.810 22.035 -3.985 1.00 0.00 O ATOM 1157 O5' U B 7 0.055 20.357 -3.378 1.00 0.00 O ATOM 1158 C5' U B 7 0.472 20.365 -2.027 1.00 0.00 C ATOM 1159 C4' U B 7 1.253 19.101 -1.648 1.00 0.00 C ATOM 1160 O4' U B 7 2.586 19.178 -2.139 1.00 0.00 O ATOM 1161 C3' U B 7 1.345 19.025 -0.123 1.00 0.00 C ATOM 1162 O3' U B 7 1.461 17.678 0.291 1.00 0.00 O ATOM 1163 C2' U B 7 2.641 19.774 0.136 1.00 0.00 C ATOM 1164 O2' U B 7 3.191 19.438 1.394 1.00 0.00 O ATOM 1165 C1' U B 7 3.474 19.271 -1.033 1.00 0.00 C ATOM 1166 N1 U B 7 4.612 20.174 -1.317 1.00 0.00 N ATOM 1167 C2 U B 7 5.871 19.821 -0.846 1.00 0.00 C ATOM 1168 O2 U B 7 6.063 18.822 -0.151 1.00 0.00 O ATOM 1169 N3 U B 7 6.915 20.661 -1.193 1.00 0.00 N ATOM 1170 C4 U B 7 6.808 21.818 -1.941 1.00 0.00 C ATOM 1171 O4 U B 7 7.804 22.486 -2.204 1.00 0.00 O ATOM 1172 C5 U B 7 5.459 22.136 -2.351 1.00 0.00 C ATOM 1173 C6 U B 7 4.424 21.329 -2.033 1.00 0.00 C ATOM 0 H5' U B 7 -0.401 20.457 -1.381 1.00 0.00 H new ATOM 0 H5'' U B 7 1.095 21.241 -1.847 1.00 0.00 H new ATOM 0 H4' U B 7 0.743 18.235 -2.071 1.00 0.00 H new ATOM 0 H3' U B 7 0.481 19.430 0.404 1.00 0.00 H new ATOM 0 H2' U B 7 2.555 20.859 0.186 1.00 0.00 H new ATOM 0 HO2' U B 7 4.025 19.935 1.530 1.00 0.00 H new ATOM 0 HO3' U B 7 1.664 17.647 1.249 1.00 0.00 H new ATOM 0 H1' U B 7 3.921 18.302 -0.810 1.00 0.00 H new ATOM 0 H3 U B 7 7.847 20.403 -0.867 1.00 0.00 H new ATOM 0 H5 U B 7 5.276 23.034 -2.922 1.00 0.00 H new ATOM 0 H6 U B 7 3.427 21.599 -2.349 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -2.867 0.949 -11.342 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 5.001 -4.098 6.224 1.00 0.00 ZN