USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=25 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 150 LYS NZ :NH3+ 154:sc= 0.843 (180deg=-0.128) USER MOD Set 1.2: B 4 A O2' : rot -39:sc= 1.64 USER MOD Set 2.1: A 177 LYS NZ :NH3+ -175:sc= 2.18 (180deg=0.819) USER MOD Set 2.2: A 185 GLN : amide:sc= 0.618 K(o=2.8,f=-6.9!) USER MOD Set 3.1: A 159 LYS NZ :NH3+ -102:sc= 1.32 (180deg=-0.623) USER MOD Set 3.2: B 2 G O2' : rot 77:sc= -0.843 USER MOD Set 4.1: A 129 MET CE :methyl -172:sc= -0.337 (180deg=-0.801) USER MOD Set 4.2: A 134 SER OG : rot 157:sc= -0.0603 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -177:sc= -0.404 (180deg=-0.408) USER MOD Single : A 128 SER OG : rot 180:sc= 0.00926 USER MOD Single : A 130 GLN : amide:sc= -2.13! C(o=-2.1!,f=-3.9!) USER MOD Single : A 131 LYS NZ :NH3+ 161:sc= 0.888 (180deg=0.628) 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= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : A 148 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.0019) USER MOD Single : A 153 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.152) USER MOD Single : A 157 GLN : amide:sc= 0.396 X(o=0.4,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-2) USER MOD Single : A 165 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.61) USER MOD Single : A 166 SER OG : rot 73:sc= 1.23 USER MOD Single : A 168 SER OG : rot 75:sc= -0.238 USER MOD Single : A 170 MET CE :methyl 178:sc= -3.46 (180deg=-3.51) USER MOD Single : A 173 SER OG : rot -50:sc= 0.00469 USER MOD Single : A 179 GLN :FLIP amide:sc= -0.404 F(o=-1.6!,f=-0.4) USER MOD Single : A 180 GLN : amide:sc= -0.895 K(o=-0.89,f=-2.8!) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : B 1 A O2' : rot 48:sc= -1.19 USER MOD Single : B 1 A O5' : rot 176:sc= 1.23 USER MOD Single : B 3 G O2' : rot 180:sc= -0.35 USER MOD Single : B 5 G O2' : rot -27:sc= 0.711 USER MOD Single : B 6 A O2' : rot -141:sc= 0.562 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 132:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 13.086 10.026 15.076 1.00 0.00 N ATOM 2 CA PRO A 124 13.334 11.239 15.870 1.00 0.00 C ATOM 3 C PRO A 124 12.102 12.131 15.969 1.00 0.00 C ATOM 4 O PRO A 124 11.510 12.233 17.043 1.00 0.00 O ATOM 5 CB PRO A 124 14.545 11.931 15.242 1.00 0.00 C ATOM 6 CG PRO A 124 15.320 10.781 14.590 1.00 0.00 C ATOM 7 CD PRO A 124 14.453 9.549 14.832 1.00 0.00 C ATOM 0 HA PRO A 124 13.551 10.989 16.909 1.00 0.00 H new ATOM 0 HB2 PRO A 124 14.244 12.678 14.508 1.00 0.00 H new ATOM 0 HB3 PRO A 124 15.146 12.445 15.992 1.00 0.00 H new ATOM 0 HG2 PRO A 124 15.470 10.957 13.525 1.00 0.00 H new ATOM 0 HG3 PRO A 124 16.308 10.665 15.036 1.00 0.00 H new ATOM 0 HD2 PRO A 124 14.481 8.883 13.970 1.00 0.00 H new ATOM 0 HD3 PRO A 124 14.821 8.980 15.686 1.00 0.00 H new ATOM 15 N LYS A 125 11.711 12.772 14.865 1.00 0.00 N ATOM 16 CA LYS A 125 10.563 13.673 14.839 1.00 0.00 C ATOM 17 C LYS A 125 9.864 13.636 13.482 1.00 0.00 C ATOM 18 O LYS A 125 8.790 14.211 13.320 1.00 0.00 O ATOM 19 CB LYS A 125 11.061 15.084 15.174 1.00 0.00 C ATOM 20 CG LYS A 125 9.912 16.071 15.387 1.00 0.00 C ATOM 21 CD LYS A 125 10.466 17.427 15.826 1.00 0.00 C ATOM 22 CE LYS A 125 9.311 18.406 16.052 1.00 0.00 C ATOM 23 NZ LYS A 125 9.806 19.735 16.449 1.00 0.00 N ATOM 0 H LYS A 125 12.183 12.679 13.966 1.00 0.00 H new ATOM 0 HA LYS A 125 9.825 13.358 15.576 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.675 15.046 16.074 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.700 15.442 14.367 1.00 0.00 H new ATOM 0 HG2 LYS A 125 9.341 16.183 14.465 1.00 0.00 H new ATOM 0 HG3 LYS A 125 9.226 15.687 16.142 1.00 0.00 H new ATOM 0 HD2 LYS A 125 11.045 17.315 16.742 1.00 0.00 H new ATOM 0 HD3 LYS A 125 11.143 17.817 15.066 1.00 0.00 H new ATOM 0 HE2 LYS A 125 8.721 18.493 15.139 1.00 0.00 H new ATOM 0 HE3 LYS A 125 8.648 18.017 16.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 9.000 20.376 16.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 10.348 19.654 17.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 10.420 20.115 15.700 1.00 0.00 H new ATOM 37 N GLY A 126 10.474 12.960 12.506 1.00 0.00 N ATOM 38 CA GLY A 126 9.934 12.812 11.164 1.00 0.00 C ATOM 39 C GLY A 126 10.749 13.610 10.158 1.00 0.00 C ATOM 40 O GLY A 126 11.405 14.587 10.522 1.00 0.00 O ATOM 0 H GLY A 126 11.372 12.494 12.634 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.933 11.759 10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 126 8.897 13.148 11.146 1.00 0.00 H new ATOM 44 N LYS A 127 10.710 13.187 8.893 1.00 0.00 N ATOM 45 CA LYS A 127 11.500 13.775 7.820 1.00 0.00 C ATOM 46 C LYS A 127 10.766 13.668 6.488 1.00 0.00 C ATOM 47 O LYS A 127 9.604 13.265 6.441 1.00 0.00 O ATOM 48 CB LYS A 127 12.852 13.057 7.732 1.00 0.00 C ATOM 49 CG LYS A 127 13.695 13.320 8.978 1.00 0.00 C ATOM 50 CD LYS A 127 15.068 12.662 8.838 1.00 0.00 C ATOM 51 CE LYS A 127 15.941 13.015 10.043 1.00 0.00 C ATOM 52 NZ LYS A 127 15.386 12.484 11.300 1.00 0.00 N ATOM 0 H LYS A 127 10.119 12.415 8.585 1.00 0.00 H new ATOM 0 HA LYS A 127 11.659 14.831 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.691 11.985 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 127 13.390 13.395 6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.812 14.394 9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 127 13.185 12.930 9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 127 14.956 11.580 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 127 15.549 12.997 7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 127 16.945 12.617 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.036 14.098 10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 15.980 12.788 12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 14.419 12.843 11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 15.367 11.445 11.259 1.00 0.00 H new ATOM 66 N SER A 128 11.457 14.033 5.406 1.00 0.00 N ATOM 67 CA SER A 128 10.929 13.993 4.051 1.00 0.00 C ATOM 68 C SER A 128 12.039 13.552 3.102 1.00 0.00 C ATOM 69 O SER A 128 13.145 13.242 3.547 1.00 0.00 O ATOM 70 CB SER A 128 10.392 15.380 3.691 1.00 0.00 C ATOM 71 OG SER A 128 9.730 15.358 2.446 1.00 0.00 O ATOM 0 H SER A 128 12.418 14.371 5.454 1.00 0.00 H new ATOM 0 HA SER A 128 10.110 13.279 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 128 9.705 15.720 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 128 11.214 16.095 3.657 1.00 0.00 H new ATOM 0 HG SER A 128 9.394 16.255 2.238 1.00 0.00 H new ATOM 77 N MET A 129 11.760 13.520 1.797 1.00 0.00 N ATOM 78 CA MET A 129 12.722 13.085 0.798 1.00 0.00 C ATOM 79 C MET A 129 12.713 14.046 -0.393 1.00 0.00 C ATOM 80 O MET A 129 11.972 15.028 -0.408 1.00 0.00 O ATOM 81 CB MET A 129 12.405 11.657 0.355 1.00 0.00 C ATOM 82 CG MET A 129 12.553 10.671 1.511 1.00 0.00 C ATOM 83 SD MET A 129 12.425 8.926 1.034 1.00 0.00 S ATOM 84 CE MET A 129 10.776 8.933 0.292 1.00 0.00 C ATOM 0 H MET A 129 10.858 13.796 1.409 1.00 0.00 H new ATOM 0 HA MET A 129 13.721 13.093 1.233 1.00 0.00 H new ATOM 0 HB2 MET A 129 11.388 11.613 -0.036 1.00 0.00 H new ATOM 0 HB3 MET A 129 13.072 11.370 -0.458 1.00 0.00 H new ATOM 0 HG2 MET A 129 13.519 10.834 1.989 1.00 0.00 H new ATOM 0 HG3 MET A 129 11.788 10.888 2.257 1.00 0.00 H new ATOM 0 HE1 MET A 129 10.473 7.910 0.070 1.00 0.00 H new ATOM 0 HE2 MET A 129 10.066 9.379 0.988 1.00 0.00 H new ATOM 0 HE3 MET A 129 10.794 9.514 -0.630 1.00 0.00 H new ATOM 94 N GLN A 130 13.545 13.746 -1.392 1.00 0.00 N ATOM 95 CA GLN A 130 13.740 14.582 -2.564 1.00 0.00 C ATOM 96 C GLN A 130 12.412 14.929 -3.228 1.00 0.00 C ATOM 97 O GLN A 130 11.447 14.171 -3.147 1.00 0.00 O ATOM 98 CB GLN A 130 14.647 13.865 -3.567 1.00 0.00 C ATOM 99 CG GLN A 130 16.082 13.700 -3.052 1.00 0.00 C ATOM 100 CD GLN A 130 16.171 12.786 -1.837 1.00 0.00 C ATOM 101 OE1 GLN A 130 15.574 11.711 -1.809 1.00 0.00 O ATOM 102 NE2 GLN A 130 16.915 13.211 -0.820 1.00 0.00 N ATOM 0 H GLN A 130 14.110 12.897 -1.403 1.00 0.00 H new ATOM 0 HA GLN A 130 14.210 15.511 -2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 130 14.230 12.883 -3.791 1.00 0.00 H new ATOM 0 HB3 GLN A 130 14.663 14.425 -4.502 1.00 0.00 H new ATOM 0 HG2 GLN A 130 16.706 13.298 -3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 130 16.486 14.679 -2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 130 17.396 14.109 -0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 130 17.005 12.639 0.020 1.00 0.00 H new ATOM 111 N LYS A 131 12.385 16.094 -3.888 1.00 0.00 N ATOM 112 CA LYS A 131 11.256 16.634 -4.627 1.00 0.00 C ATOM 113 C LYS A 131 9.901 16.431 -3.936 1.00 0.00 C ATOM 114 O LYS A 131 8.874 16.382 -4.609 1.00 0.00 O ATOM 115 CB LYS A 131 11.299 16.033 -6.029 1.00 0.00 C ATOM 116 CG LYS A 131 12.584 16.388 -6.778 1.00 0.00 C ATOM 117 CD LYS A 131 12.738 17.890 -7.029 1.00 0.00 C ATOM 118 CE LYS A 131 11.595 18.412 -7.893 1.00 0.00 C ATOM 119 NZ LYS A 131 11.735 19.859 -8.123 1.00 0.00 N ATOM 0 H LYS A 131 13.197 16.711 -3.917 1.00 0.00 H new ATOM 0 HA LYS A 131 11.350 17.719 -4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.210 14.949 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.440 16.387 -6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 131 13.441 16.032 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.597 15.863 -7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 131 12.754 18.423 -6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 131 13.691 18.086 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 131 11.585 17.886 -8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.642 18.207 -7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.164 20.136 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.407 20.377 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.734 20.087 -8.302 1.00 0.00 H new ATOM 133 N ARG A 132 9.902 16.313 -2.602 1.00 0.00 N ATOM 134 CA ARG A 132 8.745 16.089 -1.741 1.00 0.00 C ATOM 135 C ARG A 132 7.942 14.818 -1.986 1.00 0.00 C ATOM 136 O ARG A 132 7.247 14.347 -1.087 1.00 0.00 O ATOM 137 CB ARG A 132 7.869 17.313 -1.847 1.00 0.00 C ATOM 138 CG ARG A 132 6.790 17.309 -0.777 1.00 0.00 C ATOM 139 CD ARG A 132 6.040 18.605 -0.999 1.00 0.00 C ATOM 140 NE ARG A 132 4.938 18.746 -0.040 1.00 0.00 N ATOM 141 CZ ARG A 132 3.743 19.273 -0.323 1.00 0.00 C ATOM 142 NH1 ARG A 132 3.475 19.760 -1.531 1.00 0.00 N ATOM 143 NH2 ARG A 132 2.802 19.320 0.616 1.00 0.00 N ATOM 0 H ARG A 132 10.768 16.376 -2.066 1.00 0.00 H new ATOM 0 HA ARG A 132 9.131 15.929 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 132 8.480 18.210 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 132 7.407 17.349 -2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 132 6.132 16.446 -0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 132 7.221 17.265 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 132 6.724 19.447 -0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 132 5.648 18.633 -2.016 1.00 0.00 H new ATOM 0 HE ARG A 132 5.096 18.418 0.913 1.00 0.00 H new ATOM 0 HH11 ARG A 132 4.188 19.735 -2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 132 2.557 20.158 -1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 132 2.994 18.954 1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 132 1.889 19.722 0.403 1.00 0.00 H new ATOM 157 N ARG A 133 8.033 14.269 -3.191 1.00 0.00 N ATOM 158 CA ARG A 133 7.343 13.043 -3.582 1.00 0.00 C ATOM 159 C ARG A 133 8.314 11.972 -4.067 1.00 0.00 C ATOM 160 O ARG A 133 7.876 10.936 -4.568 1.00 0.00 O ATOM 161 CB ARG A 133 6.312 13.352 -4.671 1.00 0.00 C ATOM 162 CG ARG A 133 5.184 14.275 -4.203 1.00 0.00 C ATOM 163 CD ARG A 133 4.286 13.583 -3.178 1.00 0.00 C ATOM 164 NE ARG A 133 3.031 14.324 -3.019 1.00 0.00 N ATOM 165 CZ ARG A 133 2.002 14.239 -3.867 1.00 0.00 C ATOM 166 NH1 ARG A 133 2.019 13.373 -4.879 1.00 0.00 N ATOM 167 NH2 ARG A 133 0.942 15.023 -3.712 1.00 0.00 N ATOM 0 H ARG A 133 8.599 14.670 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 133 6.838 12.650 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 133 6.819 13.813 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 133 5.881 12.417 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 133 5.609 15.178 -3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 133 4.587 14.586 -5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 133 4.076 12.563 -3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 133 4.801 13.516 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 133 2.938 14.942 -2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.825 12.763 -5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.226 13.320 -5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 133 0.911 15.693 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.158 14.955 -4.361 1.00 0.00 H new ATOM 181 N SER A 134 9.615 12.239 -3.917 1.00 0.00 N ATOM 182 CA SER A 134 10.713 11.389 -4.366 1.00 0.00 C ATOM 183 C SER A 134 10.455 10.739 -5.733 1.00 0.00 C ATOM 184 O SER A 134 9.678 11.260 -6.531 1.00 0.00 O ATOM 185 CB SER A 134 11.045 10.364 -3.283 1.00 0.00 C ATOM 186 OG SER A 134 9.910 9.592 -2.960 1.00 0.00 O ATOM 0 H SER A 134 9.942 13.090 -3.460 1.00 0.00 H new ATOM 0 HA SER A 134 11.585 12.024 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 134 11.848 9.712 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 134 11.409 10.875 -2.391 1.00 0.00 H new ATOM 0 HG SER A 134 10.195 8.739 -2.570 1.00 0.00 H new ATOM 192 N LYS A 135 11.101 9.605 -6.008 1.00 0.00 N ATOM 193 CA LYS A 135 10.935 8.884 -7.257 1.00 0.00 C ATOM 194 C LYS A 135 11.118 7.387 -7.015 1.00 0.00 C ATOM 195 O LYS A 135 11.892 6.988 -6.150 1.00 0.00 O ATOM 196 CB LYS A 135 11.960 9.418 -8.260 1.00 0.00 C ATOM 197 CG LYS A 135 11.664 8.890 -9.666 1.00 0.00 C ATOM 198 CD LYS A 135 12.642 9.474 -10.684 1.00 0.00 C ATOM 199 CE LYS A 135 12.503 10.994 -10.760 1.00 0.00 C ATOM 200 NZ LYS A 135 13.407 11.566 -11.769 1.00 0.00 N ATOM 0 H LYS A 135 11.756 9.164 -5.363 1.00 0.00 H new ATOM 0 HA LYS A 135 9.933 9.033 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.940 10.508 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 135 12.963 9.119 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 135 11.733 7.802 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 135 10.643 9.147 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 135 13.663 9.211 -10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 135 12.456 9.038 -11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 135 11.473 11.255 -11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 135 12.721 11.430 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 13.288 12.599 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 14.391 11.337 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 13.182 11.167 -12.703 1.00 0.00 H new ATOM 214 N GLY A 136 10.395 6.570 -7.786 1.00 0.00 N ATOM 215 CA GLY A 136 10.418 5.118 -7.667 1.00 0.00 C ATOM 216 C GLY A 136 9.111 4.591 -7.071 1.00 0.00 C ATOM 217 O GLY A 136 8.942 3.381 -6.928 1.00 0.00 O ATOM 0 H GLY A 136 9.771 6.908 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.579 4.673 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 136 11.256 4.815 -7.039 1.00 0.00 H new ATOM 221 N ASP A 137 8.188 5.494 -6.726 1.00 0.00 N ATOM 222 CA ASP A 137 6.901 5.138 -6.144 1.00 0.00 C ATOM 223 C ASP A 137 6.012 4.454 -7.183 1.00 0.00 C ATOM 224 O ASP A 137 6.429 4.224 -8.318 1.00 0.00 O ATOM 225 CB ASP A 137 6.239 6.392 -5.569 1.00 0.00 C ATOM 226 CG ASP A 137 5.442 6.077 -4.309 1.00 0.00 C ATOM 227 OD1 ASP A 137 4.953 4.928 -4.197 1.00 0.00 O ATOM 228 OD2 ASP A 137 5.324 6.983 -3.455 1.00 0.00 O ATOM 0 H ASP A 137 8.319 6.498 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 137 7.052 4.426 -5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 137 7.003 7.135 -5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.579 6.832 -6.317 1.00 0.00 H new ATOM 233 N ARG A 138 4.775 4.127 -6.796 1.00 0.00 N ATOM 234 CA ARG A 138 3.846 3.363 -7.615 1.00 0.00 C ATOM 235 C ARG A 138 2.449 3.968 -7.564 1.00 0.00 C ATOM 236 O ARG A 138 2.187 4.861 -6.766 1.00 0.00 O ATOM 237 CB ARG A 138 3.819 1.923 -7.097 1.00 0.00 C ATOM 238 CG ARG A 138 5.169 1.244 -7.306 1.00 0.00 C ATOM 239 CD ARG A 138 5.114 -0.204 -6.834 1.00 0.00 C ATOM 240 NE ARG A 138 6.458 -0.761 -6.674 1.00 0.00 N ATOM 241 CZ ARG A 138 6.840 -1.554 -5.669 1.00 0.00 C ATOM 242 NH1 ARG A 138 5.977 -1.940 -4.731 1.00 0.00 N ATOM 243 NH2 ARG A 138 8.100 -1.972 -5.593 1.00 0.00 N ATOM 0 H ARG A 138 4.391 4.393 -5.889 1.00 0.00 H new ATOM 0 HA ARG A 138 4.175 3.384 -8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.565 1.918 -6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.041 1.361 -7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.442 1.279 -8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.943 1.782 -6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.579 -0.260 -5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.553 -0.802 -7.552 1.00 0.00 H new ATOM 0 HE ARG A 138 7.154 -0.527 -7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.006 -1.630 -4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 138 6.287 -2.546 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.775 -1.687 -6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.391 -2.577 -4.825 1.00 0.00 H new ATOM 257 N CYS A 139 1.555 3.473 -8.422 1.00 0.00 N ATOM 258 CA CYS A 139 0.142 3.811 -8.479 1.00 0.00 C ATOM 259 C CYS A 139 -0.474 3.680 -7.089 1.00 0.00 C ATOM 260 O CYS A 139 -0.498 2.597 -6.507 1.00 0.00 O ATOM 261 CB CYS A 139 -0.501 2.858 -9.496 1.00 0.00 C ATOM 262 SG CYS A 139 -2.306 2.847 -9.356 1.00 0.00 S ATOM 0 H CYS A 139 1.817 2.789 -9.132 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.022 4.841 -8.794 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.216 3.157 -10.505 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.118 1.849 -9.342 1.00 0.00 H new ATOM 267 N TYR A 140 -0.974 4.794 -6.553 1.00 0.00 N ATOM 268 CA TYR A 140 -1.600 4.864 -5.239 1.00 0.00 C ATOM 269 C TYR A 140 -2.959 4.155 -5.231 1.00 0.00 C ATOM 270 O TYR A 140 -3.657 4.199 -4.220 1.00 0.00 O ATOM 271 CB TYR A 140 -1.781 6.336 -4.846 1.00 0.00 C ATOM 272 CG TYR A 140 -0.559 7.057 -4.318 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.743 6.584 -4.554 1.00 0.00 C ATOM 274 CD2 TYR A 140 -0.737 8.232 -3.571 1.00 0.00 C ATOM 275 CE1 TYR A 140 1.857 7.280 -4.059 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.366 8.931 -3.063 1.00 0.00 C ATOM 277 CZ TYR A 140 1.670 8.456 -3.307 1.00 0.00 C ATOM 278 OH TYR A 140 2.741 9.132 -2.812 1.00 0.00 O ATOM 0 H TYR A 140 -0.953 5.693 -7.035 1.00 0.00 H new ATOM 0 HA TYR A 140 -0.954 4.360 -4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.145 6.878 -5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.562 6.392 -4.088 1.00 0.00 H new ATOM 0 HD1 TYR A 140 0.888 5.677 -5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.735 8.601 -3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.854 6.915 -4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.217 9.832 -2.486 1.00 0.00 H new ATOM 0 HH TYR A 140 2.431 9.920 -2.319 1.00 0.00 H new ATOM 288 N ASN A 141 -3.342 3.504 -6.339 1.00 0.00 N ATOM 289 CA ASN A 141 -4.644 2.870 -6.439 1.00 0.00 C ATOM 290 C ASN A 141 -4.528 1.352 -6.557 1.00 0.00 C ATOM 291 O ASN A 141 -5.388 0.650 -6.033 1.00 0.00 O ATOM 292 CB ASN A 141 -5.383 3.459 -7.642 1.00 0.00 C ATOM 293 CG ASN A 141 -6.811 2.945 -7.757 1.00 0.00 C ATOM 294 OD1 ASN A 141 -7.737 3.590 -7.284 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.005 1.787 -8.384 1.00 0.00 N ATOM 0 H ASN A 141 -2.762 3.408 -7.172 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.206 3.068 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.397 4.546 -7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.838 3.216 -8.554 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.948 1.412 -8.482 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.210 1.275 -8.767 1.00 0.00 H new ATOM 302 N CYS A 142 -3.492 0.841 -7.230 1.00 0.00 N ATOM 303 CA CYS A 142 -3.316 -0.593 -7.394 1.00 0.00 C ATOM 304 C CYS A 142 -1.981 -1.062 -6.825 1.00 0.00 C ATOM 305 O CYS A 142 -1.900 -2.121 -6.211 1.00 0.00 O ATOM 306 CB CYS A 142 -3.473 -0.942 -8.866 1.00 0.00 C ATOM 307 SG CYS A 142 -1.985 -0.526 -9.795 1.00 0.00 S ATOM 0 H CYS A 142 -2.765 1.406 -7.668 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.082 -1.122 -6.827 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.684 -2.006 -8.970 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.326 -0.405 -9.281 1.00 0.00 H new ATOM 312 N GLY A 143 -0.942 -0.251 -7.051 1.00 0.00 N ATOM 313 CA GLY A 143 0.397 -0.551 -6.596 1.00 0.00 C ATOM 314 C GLY A 143 1.314 -0.891 -7.769 1.00 0.00 C ATOM 315 O GLY A 143 2.355 -1.512 -7.559 1.00 0.00 O ATOM 0 H GLY A 143 -1.018 0.631 -7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.799 0.304 -6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.368 -1.388 -5.899 1.00 0.00 H new ATOM 319 N GLY A 144 0.944 -0.500 -8.996 1.00 0.00 N ATOM 320 CA GLY A 144 1.751 -0.750 -10.185 1.00 0.00 C ATOM 321 C GLY A 144 2.711 0.400 -10.451 1.00 0.00 C ATOM 322 O GLY A 144 2.584 1.462 -9.859 1.00 0.00 O ATOM 0 H GLY A 144 0.075 -0.001 -9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.314 -1.675 -10.058 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.099 -0.890 -11.047 1.00 0.00 H new ATOM 326 N LEU A 145 3.679 0.199 -11.344 1.00 0.00 N ATOM 327 CA LEU A 145 4.758 1.162 -11.533 1.00 0.00 C ATOM 328 C LEU A 145 4.733 1.741 -12.940 1.00 0.00 C ATOM 329 O LEU A 145 5.299 2.804 -13.183 1.00 0.00 O ATOM 330 CB LEU A 145 6.129 0.522 -11.291 1.00 0.00 C ATOM 331 CG LEU A 145 6.149 -1.004 -11.334 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.585 -1.472 -11.520 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.641 -1.581 -10.014 1.00 0.00 C ATOM 0 H LEU A 145 3.736 -0.622 -11.947 1.00 0.00 H new ATOM 0 HA LEU A 145 4.600 1.958 -10.806 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.826 0.900 -12.039 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.498 0.847 -10.318 1.00 0.00 H new ATOM 0 HG LEU A 145 5.513 -1.338 -12.153 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.611 -2.561 -11.552 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.980 -1.072 -12.454 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.194 -1.119 -10.688 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.662 -2.670 -10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.279 -1.241 -9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.619 -1.245 -9.839 1.00 0.00 H new ATOM 345 N ASP A 146 4.078 1.043 -13.864 1.00 0.00 N ATOM 346 CA ASP A 146 3.985 1.470 -15.251 1.00 0.00 C ATOM 347 C ASP A 146 2.941 2.579 -15.423 1.00 0.00 C ATOM 348 O ASP A 146 2.722 3.059 -16.535 1.00 0.00 O ATOM 349 CB ASP A 146 3.668 0.223 -16.082 1.00 0.00 C ATOM 350 CG ASP A 146 3.457 0.523 -17.556 1.00 0.00 C ATOM 351 OD1 ASP A 146 4.439 0.955 -18.202 1.00 0.00 O ATOM 352 OD2 ASP A 146 2.316 0.318 -18.031 1.00 0.00 O ATOM 0 H ASP A 146 3.597 0.165 -13.669 1.00 0.00 H new ATOM 0 HA ASP A 146 4.923 1.908 -15.592 1.00 0.00 H new ATOM 0 HB2 ASP A 146 4.483 -0.493 -15.977 1.00 0.00 H new ATOM 0 HB3 ASP A 146 2.772 -0.253 -15.683 1.00 0.00 H new ATOM 357 N HIS A 147 2.288 2.993 -14.333 1.00 0.00 N ATOM 358 CA HIS A 147 1.240 4.009 -14.375 1.00 0.00 C ATOM 359 C HIS A 147 1.049 4.656 -12.999 1.00 0.00 C ATOM 360 O HIS A 147 1.846 4.433 -12.088 1.00 0.00 O ATOM 361 CB HIS A 147 -0.064 3.352 -14.826 1.00 0.00 C ATOM 362 CG HIS A 147 -0.523 2.262 -13.893 1.00 0.00 C ATOM 363 ND1 HIS A 147 -0.013 0.989 -13.804 1.00 0.00 N ATOM 364 CD2 HIS A 147 -1.527 2.360 -12.971 1.00 0.00 C ATOM 365 CE1 HIS A 147 -0.677 0.347 -12.825 1.00 0.00 C ATOM 366 NE2 HIS A 147 -1.628 1.140 -12.300 1.00 0.00 N ATOM 0 H HIS A 147 2.474 2.631 -13.398 1.00 0.00 H new ATOM 0 HA HIS A 147 1.529 4.791 -15.077 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -0.842 4.112 -14.899 1.00 0.00 H new ATOM 0 HB3 HIS A 147 0.071 2.936 -15.825 1.00 0.00 H new ATOM 0 HD1 HIS A 147 0.735 0.600 -14.378 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.138 3.232 -12.792 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -0.474 -0.665 -12.505 1.00 0.00 H new ATOM 374 N HIS A 148 -0.009 5.457 -12.856 1.00 0.00 N ATOM 375 CA HIS A 148 -0.356 6.132 -11.611 1.00 0.00 C ATOM 376 C HIS A 148 -1.836 5.914 -11.301 1.00 0.00 C ATOM 377 O HIS A 148 -2.575 5.409 -12.140 1.00 0.00 O ATOM 378 CB HIS A 148 -0.052 7.624 -11.734 1.00 0.00 C ATOM 379 CG HIS A 148 1.405 7.934 -11.944 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.910 8.817 -12.894 1.00 0.00 N ATOM 381 CD2 HIS A 148 2.437 7.403 -11.225 1.00 0.00 C ATOM 382 CE1 HIS A 148 3.240 8.798 -12.723 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.589 7.956 -11.733 1.00 0.00 N ATOM 0 H HIS A 148 -0.658 5.656 -13.618 1.00 0.00 H new ATOM 0 HA HIS A 148 0.237 5.718 -10.795 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.624 8.034 -12.566 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.395 8.130 -10.832 1.00 0.00 H new ATOM 0 HD2 HIS A 148 2.363 6.690 -10.417 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.939 9.382 -13.304 1.00 0.00 H new ATOM 0 HE2 HIS A 148 4.539 7.762 -11.416 1.00 0.00 H new ATOM 391 N ALA A 149 -2.270 6.296 -10.101 1.00 0.00 N ATOM 392 CA ALA A 149 -3.623 6.055 -9.630 1.00 0.00 C ATOM 393 C ALA A 149 -4.682 6.694 -10.533 1.00 0.00 C ATOM 394 O ALA A 149 -5.822 6.233 -10.571 1.00 0.00 O ATOM 395 CB ALA A 149 -3.736 6.606 -8.211 1.00 0.00 C ATOM 0 H ALA A 149 -1.683 6.786 -9.426 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.811 4.982 -9.648 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.745 6.437 -7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.018 6.100 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.526 7.676 -8.218 1.00 0.00 H new ATOM 401 N LYS A 150 -4.310 7.752 -11.258 1.00 0.00 N ATOM 402 CA LYS A 150 -5.212 8.450 -12.166 1.00 0.00 C ATOM 403 C LYS A 150 -5.247 7.795 -13.542 1.00 0.00 C ATOM 404 O LYS A 150 -6.093 8.128 -14.367 1.00 0.00 O ATOM 405 CB LYS A 150 -4.779 9.902 -12.287 1.00 0.00 C ATOM 406 CG LYS A 150 -3.332 10.025 -12.778 1.00 0.00 C ATOM 407 CD LYS A 150 -2.756 11.364 -12.331 1.00 0.00 C ATOM 408 CE LYS A 150 -2.564 11.350 -10.813 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.346 12.711 -10.298 1.00 0.00 N ATOM 0 H LYS A 150 -3.370 8.147 -11.229 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.220 8.396 -11.755 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.443 10.423 -12.977 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.877 10.393 -11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -2.731 9.207 -12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.297 9.947 -13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -1.803 11.547 -12.828 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.426 12.175 -12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.441 10.913 -10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.713 10.719 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.650 12.759 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.336 12.949 -10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.898 13.388 -10.862 1.00 0.00 H new ATOM 423 N GLU A 151 -4.329 6.863 -13.780 1.00 0.00 N ATOM 424 CA GLU A 151 -4.272 6.100 -15.018 1.00 0.00 C ATOM 425 C GLU A 151 -4.480 4.611 -14.761 1.00 0.00 C ATOM 426 O GLU A 151 -4.369 3.800 -15.678 1.00 0.00 O ATOM 427 CB GLU A 151 -2.953 6.348 -15.754 1.00 0.00 C ATOM 428 CG GLU A 151 -2.508 7.807 -15.647 1.00 0.00 C ATOM 429 CD GLU A 151 -1.463 8.142 -16.699 1.00 0.00 C ATOM 430 OE1 GLU A 151 -0.366 7.546 -16.642 1.00 0.00 O ATOM 431 OE2 GLU A 151 -1.767 9.001 -17.558 1.00 0.00 O ATOM 0 H GLU A 151 -3.599 6.616 -13.112 1.00 0.00 H new ATOM 0 HA GLU A 151 -5.086 6.444 -15.656 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -2.179 5.701 -15.341 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.067 6.079 -16.804 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.371 8.463 -15.766 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.100 7.994 -14.653 1.00 0.00 H new ATOM 438 N CYS A 152 -4.775 4.256 -13.506 1.00 0.00 N ATOM 439 CA CYS A 152 -5.091 2.900 -13.113 1.00 0.00 C ATOM 440 C CYS A 152 -6.343 2.410 -13.846 1.00 0.00 C ATOM 441 O CYS A 152 -7.089 3.214 -14.404 1.00 0.00 O ATOM 442 CB CYS A 152 -5.243 2.839 -11.599 1.00 0.00 C ATOM 443 SG CYS A 152 -4.920 1.145 -11.066 1.00 0.00 S ATOM 0 H CYS A 152 -4.798 4.920 -12.732 1.00 0.00 H new ATOM 0 HA CYS A 152 -4.279 2.230 -13.396 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.547 3.527 -11.119 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.247 3.145 -11.305 1.00 0.00 H new ATOM 448 N LYS A 153 -6.575 1.099 -13.844 1.00 0.00 N ATOM 449 CA LYS A 153 -7.656 0.495 -14.615 1.00 0.00 C ATOM 450 C LYS A 153 -8.532 -0.435 -13.779 1.00 0.00 C ATOM 451 O LYS A 153 -9.459 -1.056 -14.302 1.00 0.00 O ATOM 452 CB LYS A 153 -7.090 -0.203 -15.853 1.00 0.00 C ATOM 453 CG LYS A 153 -5.790 -0.957 -15.598 1.00 0.00 C ATOM 454 CD LYS A 153 -5.970 -2.149 -14.662 1.00 0.00 C ATOM 455 CE LYS A 153 -6.910 -3.184 -15.262 1.00 0.00 C ATOM 456 NZ LYS A 153 -6.336 -3.807 -16.469 1.00 0.00 N ATOM 0 H LYS A 153 -6.021 0.429 -13.310 1.00 0.00 H new ATOM 0 HA LYS A 153 -8.317 1.297 -14.943 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -7.834 -0.901 -16.236 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -6.920 0.541 -16.631 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.385 -1.305 -16.548 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.057 -0.273 -15.171 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.001 -2.607 -14.462 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.365 -1.807 -13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.124 -3.955 -14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.860 -2.711 -15.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -6.901 -4.639 -16.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -6.344 -3.121 -17.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.357 -4.101 -16.276 1.00 0.00 H new ATOM 470 N LEU A 154 -8.243 -0.534 -12.485 1.00 0.00 N ATOM 471 CA LEU A 154 -9.046 -1.276 -11.528 1.00 0.00 C ATOM 472 C LEU A 154 -9.562 -0.322 -10.445 1.00 0.00 C ATOM 473 O LEU A 154 -9.057 0.794 -10.321 1.00 0.00 O ATOM 474 CB LEU A 154 -8.241 -2.472 -10.995 1.00 0.00 C ATOM 475 CG LEU A 154 -6.805 -2.133 -10.607 1.00 0.00 C ATOM 476 CD1 LEU A 154 -6.836 -1.251 -9.376 1.00 0.00 C ATOM 477 CD2 LEU A 154 -6.054 -3.403 -10.250 1.00 0.00 C ATOM 0 H LEU A 154 -7.426 -0.090 -12.067 1.00 0.00 H new ATOM 0 HA LEU A 154 -9.932 -1.701 -12.001 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.754 -2.883 -10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.226 -3.254 -11.755 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.314 -1.632 -11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.817 -0.998 -9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.387 -0.337 -9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.326 -1.782 -8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -5.029 -3.154 -9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.547 -3.894 -9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -6.046 -4.074 -11.109 1.00 0.00 H new ATOM 489 N PRO A 155 -10.561 -0.731 -9.652 1.00 0.00 N ATOM 490 CA PRO A 155 -11.142 0.086 -8.595 1.00 0.00 C ATOM 491 C PRO A 155 -10.116 0.278 -7.482 1.00 0.00 C ATOM 492 O PRO A 155 -9.089 -0.398 -7.475 1.00 0.00 O ATOM 493 CB PRO A 155 -12.378 -0.685 -8.123 1.00 0.00 C ATOM 494 CG PRO A 155 -12.026 -2.136 -8.436 1.00 0.00 C ATOM 495 CD PRO A 155 -11.202 -2.030 -9.713 1.00 0.00 C ATOM 0 HA PRO A 155 -11.423 1.085 -8.927 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.563 -0.536 -7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.277 -0.366 -8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.457 -2.595 -7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -12.919 -2.744 -8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.464 -2.830 -9.772 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -11.834 -2.115 -10.597 1.00 0.00 H new ATOM 503 N PRO A 156 -10.358 1.181 -6.527 1.00 0.00 N ATOM 504 CA PRO A 156 -9.381 1.497 -5.504 1.00 0.00 C ATOM 505 C PRO A 156 -9.069 0.287 -4.636 1.00 0.00 C ATOM 506 O PRO A 156 -9.871 -0.112 -3.792 1.00 0.00 O ATOM 507 CB PRO A 156 -9.970 2.667 -4.713 1.00 0.00 C ATOM 508 CG PRO A 156 -11.476 2.546 -4.954 1.00 0.00 C ATOM 509 CD PRO A 156 -11.566 1.970 -6.368 1.00 0.00 C ATOM 0 HA PRO A 156 -8.419 1.777 -5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -9.727 2.596 -3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.584 3.623 -5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.948 1.890 -4.223 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -11.973 3.513 -4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.458 1.355 -6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -11.622 2.762 -7.115 1.00 0.00 H new ATOM 517 N GLN A 157 -7.888 -0.298 -4.853 1.00 0.00 N ATOM 518 CA GLN A 157 -7.387 -1.404 -4.052 1.00 0.00 C ATOM 519 C GLN A 157 -6.832 -0.851 -2.747 1.00 0.00 C ATOM 520 O GLN A 157 -6.483 0.332 -2.676 1.00 0.00 O ATOM 521 CB GLN A 157 -6.250 -2.121 -4.786 1.00 0.00 C ATOM 522 CG GLN A 157 -6.637 -2.516 -6.203 1.00 0.00 C ATOM 523 CD GLN A 157 -7.779 -3.519 -6.241 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.711 -4.583 -5.626 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.843 -3.191 -6.968 1.00 0.00 N ATOM 0 H GLN A 157 -7.252 -0.011 -5.597 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.202 -2.104 -3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.375 -1.472 -4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.965 -3.013 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -6.924 -1.624 -6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.769 -2.941 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.866 -2.301 -7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.636 -3.830 -7.028 1.00 0.00 H new ATOM 534 N PRO A 158 -6.733 -1.679 -1.708 1.00 0.00 N ATOM 535 CA PRO A 158 -6.145 -1.258 -0.460 1.00 0.00 C ATOM 536 C PRO A 158 -4.646 -1.125 -0.660 1.00 0.00 C ATOM 537 O PRO A 158 -3.990 -2.062 -1.113 1.00 0.00 O ATOM 538 CB PRO A 158 -6.487 -2.364 0.533 1.00 0.00 C ATOM 539 CG PRO A 158 -6.624 -3.608 -0.345 1.00 0.00 C ATOM 540 CD PRO A 158 -7.155 -3.063 -1.674 1.00 0.00 C ATOM 0 HA PRO A 158 -6.513 -0.296 -0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.704 -2.486 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.411 -2.149 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.667 -4.113 -0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.311 -4.333 0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.750 -3.620 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.240 -3.146 -1.729 1.00 0.00 H new ATOM 548 N LYS A 159 -4.105 0.047 -0.327 1.00 0.00 N ATOM 549 CA LYS A 159 -2.681 0.292 -0.484 1.00 0.00 C ATOM 550 C LYS A 159 -1.916 -0.532 0.546 1.00 0.00 C ATOM 551 O LYS A 159 -1.852 -0.167 1.720 1.00 0.00 O ATOM 552 CB LYS A 159 -2.335 1.791 -0.463 1.00 0.00 C ATOM 553 CG LYS A 159 -3.280 2.700 0.331 1.00 0.00 C ATOM 554 CD LYS A 159 -2.852 4.166 0.192 1.00 0.00 C ATOM 555 CE LYS A 159 -1.787 4.554 1.215 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.371 4.697 2.560 1.00 0.00 N ATOM 0 H LYS A 159 -4.632 0.834 0.051 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.367 -0.038 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.331 1.904 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.303 2.148 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.301 2.577 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.275 2.411 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.467 4.337 -0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -3.723 4.810 0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -1.003 3.797 1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -1.317 5.491 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -2.497 5.706 2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -3.294 4.219 2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -1.735 4.268 3.262 1.00 0.00 H new ATOM 570 N LYS A 160 -1.339 -1.651 0.098 1.00 0.00 N ATOM 571 CA LYS A 160 -0.563 -2.537 0.943 1.00 0.00 C ATOM 572 C LYS A 160 0.795 -1.926 1.263 1.00 0.00 C ATOM 573 O LYS A 160 1.275 -1.047 0.544 1.00 0.00 O ATOM 574 CB LYS A 160 -0.328 -3.864 0.219 1.00 0.00 C ATOM 575 CG LYS A 160 -1.611 -4.664 0.002 1.00 0.00 C ATOM 576 CD LYS A 160 -1.450 -5.599 -1.197 1.00 0.00 C ATOM 577 CE LYS A 160 -2.418 -5.134 -2.280 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.289 -5.952 -3.499 1.00 0.00 N ATOM 0 H LYS A 160 -1.403 -1.962 -0.871 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.120 -2.695 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.138 -3.667 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.375 -4.466 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.844 -5.243 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.448 -3.986 -0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.424 -5.576 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.663 -6.629 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.440 -5.192 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.225 -4.088 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.960 -5.612 -4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.319 -5.876 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.497 -6.946 -3.274 1.00 0.00 H new ATOM 592 N CYS A 161 1.409 -2.407 2.341 1.00 0.00 N ATOM 593 CA CYS A 161 2.773 -2.073 2.687 1.00 0.00 C ATOM 594 C CYS A 161 3.694 -2.454 1.521 1.00 0.00 C ATOM 595 O CYS A 161 3.713 -3.609 1.100 1.00 0.00 O ATOM 596 CB CYS A 161 3.093 -2.838 3.973 1.00 0.00 C ATOM 597 SG CYS A 161 4.813 -2.639 4.471 1.00 0.00 S ATOM 0 H CYS A 161 0.963 -3.045 3.000 1.00 0.00 H new ATOM 0 HA CYS A 161 2.918 -1.007 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.442 -2.488 4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.879 -3.897 3.827 1.00 0.00 H new ATOM 602 N HIS A 162 4.466 -1.499 0.998 1.00 0.00 N ATOM 603 CA HIS A 162 5.427 -1.739 -0.075 1.00 0.00 C ATOM 604 C HIS A 162 6.580 -2.632 0.393 1.00 0.00 C ATOM 605 O HIS A 162 7.592 -2.747 -0.298 1.00 0.00 O ATOM 606 CB HIS A 162 5.987 -0.401 -0.564 1.00 0.00 C ATOM 607 CG HIS A 162 5.026 0.370 -1.427 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.220 -0.174 -2.432 1.00 0.00 N ATOM 609 CD2 HIS A 162 4.811 1.716 -1.362 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.542 0.863 -2.943 1.00 0.00 C ATOM 611 NE2 HIS A 162 3.877 2.007 -2.324 1.00 0.00 N ATOM 0 H HIS A 162 4.440 -0.529 1.312 1.00 0.00 H new ATOM 0 HA HIS A 162 4.909 -2.251 -0.886 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.258 0.208 0.299 1.00 0.00 H new ATOM 0 HB3 HIS A 162 6.903 -0.583 -1.126 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.283 2.414 -0.687 1.00 0.00 H new ATOM 0 HE1 HIS A 162 2.823 0.789 -3.745 1.00 0.00 H new ATOM 0 HE2 HIS A 162 3.502 2.932 -2.533 1.00 0.00 H new ATOM 619 N PHE A 163 6.437 -3.254 1.567 1.00 0.00 N ATOM 620 CA PHE A 163 7.529 -3.948 2.212 1.00 0.00 C ATOM 621 C PHE A 163 7.157 -5.349 2.671 1.00 0.00 C ATOM 622 O PHE A 163 7.974 -6.262 2.574 1.00 0.00 O ATOM 623 CB PHE A 163 7.880 -3.092 3.413 1.00 0.00 C ATOM 624 CG PHE A 163 9.290 -3.213 3.898 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.642 -4.256 4.762 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.239 -2.268 3.490 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.957 -4.335 5.236 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.549 -2.345 3.963 1.00 0.00 C ATOM 629 CZ PHE A 163 11.909 -3.380 4.835 1.00 0.00 C ATOM 0 H PHE A 163 5.560 -3.284 2.087 1.00 0.00 H new ATOM 0 HA PHE A 163 8.356 -4.081 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.688 -2.049 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.209 -3.352 4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.908 -4.991 5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 163 9.957 -1.479 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.241 -5.130 5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.281 -1.611 3.659 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.923 -3.445 5.202 1.00 0.00 H new ATOM 639 N CYS A 164 5.927 -5.519 3.165 1.00 0.00 N ATOM 640 CA CYS A 164 5.440 -6.816 3.604 1.00 0.00 C ATOM 641 C CYS A 164 4.057 -7.118 3.022 1.00 0.00 C ATOM 642 O CYS A 164 3.436 -8.122 3.366 1.00 0.00 O ATOM 643 CB CYS A 164 5.403 -6.800 5.123 1.00 0.00 C ATOM 644 SG CYS A 164 4.091 -5.687 5.634 1.00 0.00 S ATOM 0 H CYS A 164 5.250 -4.763 3.269 1.00 0.00 H new ATOM 0 HA CYS A 164 6.103 -7.605 3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.224 -7.803 5.510 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.361 -6.469 5.524 1.00 0.00 H new ATOM 649 N GLN A 165 3.588 -6.229 2.143 1.00 0.00 N ATOM 650 CA GLN A 165 2.280 -6.268 1.500 1.00 0.00 C ATOM 651 C GLN A 165 1.122 -6.327 2.499 1.00 0.00 C ATOM 652 O GLN A 165 0.028 -6.762 2.145 1.00 0.00 O ATOM 653 CB GLN A 165 2.213 -7.374 0.444 1.00 0.00 C ATOM 654 CG GLN A 165 3.001 -7.020 -0.816 1.00 0.00 C ATOM 655 CD GLN A 165 4.507 -7.007 -0.595 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.148 -8.052 -0.623 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.092 -5.834 -0.371 1.00 0.00 N ATOM 0 H GLN A 165 4.141 -5.424 1.848 1.00 0.00 H new ATOM 0 HA GLN A 165 2.155 -5.319 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.603 -8.300 0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.172 -7.558 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.761 -7.738 -1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.684 -6.040 -1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.533 -4.981 -0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.099 -5.788 -0.217 1.00 0.00 H new ATOM 666 N SER A 166 1.341 -5.898 3.743 1.00 0.00 N ATOM 667 CA SER A 166 0.290 -5.879 4.745 1.00 0.00 C ATOM 668 C SER A 166 -0.503 -4.578 4.653 1.00 0.00 C ATOM 669 O SER A 166 0.031 -3.509 4.938 1.00 0.00 O ATOM 670 CB SER A 166 0.919 -5.992 6.132 1.00 0.00 C ATOM 671 OG SER A 166 1.701 -7.167 6.216 1.00 0.00 O ATOM 0 H SER A 166 2.244 -5.559 4.076 1.00 0.00 H new ATOM 0 HA SER A 166 -0.385 -6.717 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.539 -5.118 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.139 -6.010 6.893 1.00 0.00 H new ATOM 0 HG SER A 166 2.523 -7.051 5.695 1.00 0.00 H new ATOM 677 N ILE A 167 -1.776 -4.661 4.258 1.00 0.00 N ATOM 678 CA ILE A 167 -2.702 -3.523 4.259 1.00 0.00 C ATOM 679 C ILE A 167 -2.964 -2.996 5.666 1.00 0.00 C ATOM 680 O ILE A 167 -3.413 -1.864 5.827 1.00 0.00 O ATOM 681 CB ILE A 167 -4.039 -3.945 3.649 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.644 -5.122 4.432 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.808 -4.315 2.192 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.686 -5.880 3.613 1.00 0.00 C ATOM 0 H ILE A 167 -2.198 -5.528 3.925 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.236 -2.731 3.672 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.751 -3.121 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.849 -5.806 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.103 -4.750 5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.752 -4.619 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.410 -3.453 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.096 -5.138 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.086 -6.703 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.495 -5.203 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.221 -6.276 2.710 1.00 0.00 H new ATOM 696 N SER A 168 -2.682 -3.822 6.673 1.00 0.00 N ATOM 697 CA SER A 168 -2.792 -3.468 8.075 1.00 0.00 C ATOM 698 C SER A 168 -2.101 -2.135 8.352 1.00 0.00 C ATOM 699 O SER A 168 -2.660 -1.279 9.041 1.00 0.00 O ATOM 700 CB SER A 168 -2.251 -4.611 8.924 1.00 0.00 C ATOM 701 OG SER A 168 -0.874 -4.776 8.683 1.00 0.00 O ATOM 0 H SER A 168 -2.363 -4.779 6.525 1.00 0.00 H new ATOM 0 HA SER A 168 -3.838 -3.324 8.345 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.422 -4.404 9.980 1.00 0.00 H new ATOM 0 HB3 SER A 168 -2.783 -5.533 8.690 1.00 0.00 H new ATOM 0 HG SER A 168 -0.376 -4.060 9.129 1.00 0.00 H new ATOM 707 N HIS A 169 -0.886 -1.968 7.825 1.00 0.00 N ATOM 708 CA HIS A 169 -0.068 -0.774 8.002 1.00 0.00 C ATOM 709 C HIS A 169 0.512 -0.330 6.659 1.00 0.00 C ATOM 710 O HIS A 169 0.034 -0.727 5.596 1.00 0.00 O ATOM 711 CB HIS A 169 1.043 -1.065 9.015 1.00 0.00 C ATOM 712 CG HIS A 169 1.898 -2.248 8.640 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.814 -3.502 9.197 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.881 -2.297 7.689 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.726 -4.283 8.594 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.417 -3.588 7.671 1.00 0.00 N ATOM 0 H HIS A 169 -0.436 -2.680 7.249 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.684 0.040 8.385 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.677 -0.184 9.111 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.596 -1.244 9.993 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.173 -3.789 9.937 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.190 -1.476 7.059 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.883 -5.327 8.819 1.00 0.00 H new ATOM 724 N MET A 170 1.552 0.496 6.707 1.00 0.00 N ATOM 725 CA MET A 170 2.250 0.985 5.533 1.00 0.00 C ATOM 726 C MET A 170 3.732 0.718 5.730 1.00 0.00 C ATOM 727 O MET A 170 4.168 0.495 6.856 1.00 0.00 O ATOM 728 CB MET A 170 2.026 2.492 5.429 1.00 0.00 C ATOM 729 CG MET A 170 0.572 2.892 5.208 1.00 0.00 C ATOM 730 SD MET A 170 0.114 3.212 3.488 1.00 0.00 S ATOM 731 CE MET A 170 0.165 1.539 2.818 1.00 0.00 C ATOM 0 H MET A 170 1.938 0.849 7.583 1.00 0.00 H new ATOM 0 HA MET A 170 1.889 0.493 4.630 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.387 2.966 6.342 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.628 2.882 4.608 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.069 2.101 5.597 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.365 3.787 5.795 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.129 1.558 1.769 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.177 1.143 2.904 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.522 0.903 3.376 1.00 0.00 H new ATOM 741 N VAL A 171 4.516 0.741 4.657 1.00 0.00 N ATOM 742 CA VAL A 171 5.963 0.641 4.783 1.00 0.00 C ATOM 743 C VAL A 171 6.453 1.771 5.671 1.00 0.00 C ATOM 744 O VAL A 171 7.518 1.677 6.274 1.00 0.00 O ATOM 745 CB VAL A 171 6.608 0.718 3.407 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.514 2.134 2.869 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.086 0.368 3.460 1.00 0.00 C ATOM 0 H VAL A 171 4.176 0.827 3.699 1.00 0.00 H new ATOM 0 HA VAL A 171 6.236 -0.314 5.232 1.00 0.00 H new ATOM 0 HB VAL A 171 6.079 0.009 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.978 2.180 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.466 2.425 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.030 2.815 3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.512 0.434 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.602 1.065 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.206 -0.647 3.839 1.00 0.00 H new ATOM 757 N ALA A 172 5.653 2.840 5.743 1.00 0.00 N ATOM 758 CA ALA A 172 5.940 3.977 6.581 1.00 0.00 C ATOM 759 C ALA A 172 5.911 3.610 8.056 1.00 0.00 C ATOM 760 O ALA A 172 6.263 4.412 8.924 1.00 0.00 O ATOM 761 CB ALA A 172 4.892 5.045 6.300 1.00 0.00 C ATOM 0 H ALA A 172 4.786 2.928 5.213 1.00 0.00 H new ATOM 0 HA ALA A 172 6.942 4.341 6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.086 5.918 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.937 5.331 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.901 4.651 6.527 1.00 0.00 H new ATOM 767 N SER A 173 5.483 2.380 8.340 1.00 0.00 N ATOM 768 CA SER A 173 5.316 1.868 9.685 1.00 0.00 C ATOM 769 C SER A 173 5.613 0.370 9.737 1.00 0.00 C ATOM 770 O SER A 173 5.318 -0.272 10.747 1.00 0.00 O ATOM 771 CB SER A 173 3.869 2.115 10.116 1.00 0.00 C ATOM 772 OG SER A 173 3.771 2.217 11.523 1.00 0.00 O ATOM 0 H SER A 173 5.239 1.702 7.618 1.00 0.00 H new ATOM 0 HA SER A 173 6.011 2.376 10.354 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.499 3.031 9.655 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.236 1.301 9.762 1.00 0.00 H new ATOM 0 HG SER A 173 4.226 1.455 11.939 1.00 0.00 H new ATOM 778 N CYS A 174 6.188 -0.201 8.670 1.00 0.00 N ATOM 779 CA CYS A 174 6.386 -1.647 8.622 1.00 0.00 C ATOM 780 C CYS A 174 7.150 -2.130 9.858 1.00 0.00 C ATOM 781 O CYS A 174 8.184 -1.561 10.210 1.00 0.00 O ATOM 782 CB CYS A 174 7.103 -2.075 7.340 1.00 0.00 C ATOM 783 SG CYS A 174 6.886 -3.857 7.086 1.00 0.00 S ATOM 0 H CYS A 174 6.516 0.306 7.848 1.00 0.00 H new ATOM 0 HA CYS A 174 5.401 -2.115 8.619 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.704 -1.525 6.488 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.164 -1.834 7.407 1.00 0.00 H new ATOM 788 N PRO A 175 6.650 -3.179 10.525 1.00 0.00 N ATOM 789 CA PRO A 175 7.285 -3.755 11.688 1.00 0.00 C ATOM 790 C PRO A 175 8.526 -4.535 11.285 1.00 0.00 C ATOM 791 O PRO A 175 9.356 -4.858 12.128 1.00 0.00 O ATOM 792 CB PRO A 175 6.232 -4.692 12.281 1.00 0.00 C ATOM 793 CG PRO A 175 5.441 -5.142 11.056 1.00 0.00 C ATOM 794 CD PRO A 175 5.433 -3.891 10.193 1.00 0.00 C ATOM 0 HA PRO A 175 7.610 -2.996 12.400 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.689 -5.536 12.798 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.598 -4.180 13.005 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.919 -5.981 10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.432 -5.460 11.319 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.405 -4.146 9.134 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.554 -3.280 10.397 1.00 0.00 H new ATOM 802 N LEU A 176 8.669 -4.847 9.991 1.00 0.00 N ATOM 803 CA LEU A 176 9.809 -5.620 9.525 1.00 0.00 C ATOM 804 C LEU A 176 10.983 -4.698 9.251 1.00 0.00 C ATOM 805 O LEU A 176 12.100 -4.989 9.659 1.00 0.00 O ATOM 806 CB LEU A 176 9.468 -6.337 8.228 1.00 0.00 C ATOM 807 CG LEU A 176 8.182 -7.152 8.306 1.00 0.00 C ATOM 808 CD1 LEU A 176 8.006 -7.831 6.954 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.268 -8.193 9.413 1.00 0.00 C ATOM 0 H LEU A 176 8.012 -4.575 9.260 1.00 0.00 H new ATOM 0 HA LEU A 176 10.064 -6.344 10.299 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.375 -5.602 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.292 -6.998 7.959 1.00 0.00 H new ATOM 0 HG LEU A 176 7.333 -6.508 8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.094 -8.428 6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.936 -7.074 6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.861 -8.477 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.339 -8.762 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.100 -8.868 9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.426 -7.695 10.369 1.00 0.00 H new ATOM 821 N LYS A 177 10.748 -3.580 8.559 1.00 0.00 N ATOM 822 CA LYS A 177 11.840 -2.684 8.223 1.00 0.00 C ATOM 823 C LYS A 177 12.520 -2.160 9.483 1.00 0.00 C ATOM 824 O LYS A 177 13.679 -1.762 9.438 1.00 0.00 O ATOM 825 CB LYS A 177 11.340 -1.554 7.329 1.00 0.00 C ATOM 826 CG LYS A 177 10.584 -0.490 8.102 1.00 0.00 C ATOM 827 CD LYS A 177 10.200 0.652 7.164 1.00 0.00 C ATOM 828 CE LYS A 177 11.423 1.385 6.624 1.00 0.00 C ATOM 829 NZ LYS A 177 12.191 1.998 7.717 1.00 0.00 N ATOM 0 H LYS A 177 9.829 -3.284 8.230 1.00 0.00 H new ATOM 0 HA LYS A 177 12.593 -3.239 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.188 -1.095 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.691 -1.967 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.689 -0.920 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.201 -0.112 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.618 0.257 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.560 1.357 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.057 0.688 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.109 2.154 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.970 2.562 7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.567 2.614 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 12.580 1.252 8.329 1.00 0.00 H new ATOM 843 N ALA A 178 11.807 -2.166 10.603 1.00 0.00 N ATOM 844 CA ALA A 178 12.354 -1.719 11.863 1.00 0.00 C ATOM 845 C ALA A 178 13.463 -2.648 12.363 1.00 0.00 C ATOM 846 O ALA A 178 14.171 -2.329 13.319 1.00 0.00 O ATOM 847 CB ALA A 178 11.223 -1.737 12.884 1.00 0.00 C ATOM 0 H ALA A 178 10.838 -2.481 10.656 1.00 0.00 H new ATOM 0 HA ALA A 178 12.779 -0.724 11.730 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.600 -1.404 13.851 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.426 -1.069 12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 178 10.832 -2.750 12.976 1.00 0.00 H new ATOM 853 N GLN A 179 13.602 -3.800 11.708 1.00 0.00 N ATOM 854 CA GLN A 179 14.544 -4.845 12.073 1.00 0.00 C ATOM 855 C GLN A 179 15.161 -5.488 10.824 1.00 0.00 C ATOM 856 O GLN A 179 15.924 -6.447 10.938 1.00 0.00 O ATOM 857 CB GLN A 179 13.817 -5.892 12.928 1.00 0.00 C ATOM 858 CG GLN A 179 12.599 -6.439 12.168 1.00 0.00 C ATOM 859 CD GLN A 179 11.803 -7.477 12.949 1.00 0.00 C ATOM 860 OE1 GLN A 179 10.526 -7.616 12.601 1.00 0.00 O flip ATOM 861 NE2 GLN A 179 12.315 -8.145 13.845 1.00 0.00 N flip ATOM 0 H GLN A 179 13.044 -4.034 10.886 1.00 0.00 H new ATOM 0 HA GLN A 179 15.361 -4.411 12.650 1.00 0.00 H new ATOM 0 HB2 GLN A 179 14.497 -6.707 13.176 1.00 0.00 H new ATOM 0 HB3 GLN A 179 13.498 -5.446 13.870 1.00 0.00 H new ATOM 0 HG2 GLN A 179 11.941 -5.609 11.909 1.00 0.00 H new ATOM 0 HG3 GLN A 179 12.936 -6.883 11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 179 13.297 -8.010 14.084 1.00 0.00 H new ATOM 0 HE22 GLN A 179 11.757 -8.834 14.350 1.00 0.00 H new ATOM 870 N GLN A 180 14.835 -4.970 9.633 1.00 0.00 N ATOM 871 CA GLN A 180 15.318 -5.538 8.384 1.00 0.00 C ATOM 872 C GLN A 180 15.725 -4.448 7.388 1.00 0.00 C ATOM 873 O GLN A 180 16.387 -4.734 6.396 1.00 0.00 O ATOM 874 CB GLN A 180 14.210 -6.459 7.850 1.00 0.00 C ATOM 875 CG GLN A 180 13.586 -6.039 6.529 1.00 0.00 C ATOM 876 CD GLN A 180 14.436 -6.421 5.325 1.00 0.00 C ATOM 877 OE1 GLN A 180 15.373 -7.208 5.435 1.00 0.00 O ATOM 878 NE2 GLN A 180 14.109 -5.861 4.163 1.00 0.00 N ATOM 0 H GLN A 180 14.235 -4.154 9.516 1.00 0.00 H new ATOM 0 HA GLN A 180 16.227 -6.118 8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 180 14.620 -7.462 7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 180 13.422 -6.522 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 180 12.603 -6.500 6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 180 13.433 -4.960 6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 180 13.324 -5.212 4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 180 14.644 -6.081 3.323 1.00 0.00 H new ATOM 887 N GLY A 181 15.338 -3.196 7.645 1.00 0.00 N ATOM 888 CA GLY A 181 15.714 -2.076 6.790 1.00 0.00 C ATOM 889 C GLY A 181 15.349 -0.730 7.400 1.00 0.00 C ATOM 890 O GLY A 181 14.482 -0.039 6.866 1.00 0.00 O ATOM 0 H GLY A 181 14.761 -2.935 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 181 16.788 -2.108 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.221 -2.179 5.823 1.00 0.00 H new ATOM 894 N PRO A 182 15.999 -0.350 8.510 1.00 0.00 N ATOM 895 CA PRO A 182 15.718 0.865 9.263 1.00 0.00 C ATOM 896 C PRO A 182 15.907 2.172 8.482 1.00 0.00 C ATOM 897 O PRO A 182 15.706 3.244 9.051 1.00 0.00 O ATOM 898 CB PRO A 182 16.675 0.834 10.461 1.00 0.00 C ATOM 899 CG PRO A 182 17.079 -0.636 10.582 1.00 0.00 C ATOM 900 CD PRO A 182 17.059 -1.112 9.136 1.00 0.00 C ATOM 0 HA PRO A 182 14.663 0.868 9.538 1.00 0.00 H new ATOM 0 HB2 PRO A 182 17.542 1.473 10.294 1.00 0.00 H new ATOM 0 HB3 PRO A 182 16.188 1.189 11.369 1.00 0.00 H new ATOM 0 HG2 PRO A 182 18.066 -0.749 11.031 1.00 0.00 H new ATOM 0 HG3 PRO A 182 16.381 -1.198 11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 182 18.017 -0.933 8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.865 -2.183 9.075 1.00 0.00 H new ATOM 908 N SER A 183 16.283 2.113 7.201 1.00 0.00 N ATOM 909 CA SER A 183 16.477 3.296 6.377 1.00 0.00 C ATOM 910 C SER A 183 15.154 4.025 6.133 1.00 0.00 C ATOM 911 O SER A 183 14.086 3.549 6.518 1.00 0.00 O ATOM 912 CB SER A 183 17.088 2.902 5.033 1.00 0.00 C ATOM 913 OG SER A 183 18.352 2.306 5.230 1.00 0.00 O ATOM 0 H SER A 183 16.461 1.237 6.710 1.00 0.00 H new ATOM 0 HA SER A 183 17.151 3.966 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 183 16.427 2.208 4.514 1.00 0.00 H new ATOM 0 HB3 SER A 183 17.188 3.782 4.398 1.00 0.00 H new ATOM 0 HG SER A 183 18.734 2.056 4.363 1.00 0.00 H new ATOM 919 N ALA A 184 15.231 5.193 5.487 1.00 0.00 N ATOM 920 CA ALA A 184 14.077 6.007 5.127 1.00 0.00 C ATOM 921 C ALA A 184 13.213 6.408 6.325 1.00 0.00 C ATOM 922 O ALA A 184 12.024 6.694 6.158 1.00 0.00 O ATOM 923 CB ALA A 184 13.280 5.282 4.043 1.00 0.00 C ATOM 0 H ALA A 184 16.118 5.603 5.196 1.00 0.00 H new ATOM 0 HA ALA A 184 14.439 6.956 4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 184 12.413 5.882 3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 184 13.911 5.130 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 184 12.946 4.316 4.422 1.00 0.00 H new ATOM 929 N GLN A 185 13.782 6.434 7.531 1.00 0.00 N ATOM 930 CA GLN A 185 13.063 6.848 8.730 1.00 0.00 C ATOM 931 C GLN A 185 13.304 8.326 9.031 1.00 0.00 C ATOM 932 O GLN A 185 14.066 8.997 8.329 1.00 0.00 O ATOM 933 CB GLN A 185 13.524 6.002 9.916 1.00 0.00 C ATOM 934 CG GLN A 185 12.973 4.578 9.822 1.00 0.00 C ATOM 935 CD GLN A 185 11.452 4.579 9.818 1.00 0.00 C ATOM 936 OE1 GLN A 185 10.828 4.147 8.853 1.00 0.00 O ATOM 937 NE2 GLN A 185 10.837 5.063 10.889 1.00 0.00 N ATOM 0 H GLN A 185 14.752 6.169 7.701 1.00 0.00 H new ATOM 0 HA GLN A 185 11.996 6.702 8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 185 14.613 5.973 9.945 1.00 0.00 H new ATOM 0 HB3 GLN A 185 13.193 6.463 10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 185 13.342 4.101 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 185 13.337 3.987 10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 185 11.383 5.415 11.675 1.00 0.00 H new ATOM 0 HE22 GLN A 185 9.818 5.083 10.926 1.00 0.00 H new ATOM 946 N GLY A 186 12.654 8.830 10.081 1.00 0.00 N ATOM 947 CA GLY A 186 12.780 10.208 10.519 1.00 0.00 C ATOM 948 C GLY A 186 12.441 10.351 11.994 1.00 0.00 C ATOM 949 O GLY A 186 11.808 9.424 12.550 1.00 0.00 O ATOM 950 OXT GLY A 186 12.820 11.394 12.564 1.00 0.00 O ATOM 0 H GLY A 186 12.017 8.278 10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 186 13.797 10.557 10.342 1.00 0.00 H new ATOM 0 HA3 GLY A 186 12.118 10.842 9.928 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 9.993 7.890 4.875 1.00 0.00 O ATOM 956 C5' A B 1 10.108 7.113 3.699 1.00 0.00 C ATOM 957 C4' A B 1 8.900 7.340 2.793 1.00 0.00 C ATOM 958 O4' A B 1 9.065 6.510 1.648 1.00 0.00 O ATOM 959 C3' A B 1 7.629 6.879 3.504 1.00 0.00 C ATOM 960 O3' A B 1 6.476 7.492 2.959 1.00 0.00 O ATOM 961 C2' A B 1 7.597 5.430 3.076 1.00 0.00 C ATOM 962 O2' A B 1 6.309 4.906 3.274 1.00 0.00 O ATOM 963 C1' A B 1 7.963 5.622 1.613 1.00 0.00 C ATOM 964 N9 A B 1 8.226 4.348 0.912 1.00 0.00 N ATOM 965 C8 A B 1 7.543 3.875 -0.179 1.00 0.00 C ATOM 966 N7 A B 1 7.981 2.733 -0.625 1.00 0.00 N ATOM 967 C5 A B 1 9.013 2.408 0.256 1.00 0.00 C ATOM 968 C6 A B 1 9.878 1.298 0.351 1.00 0.00 C ATOM 969 N6 A B 1 9.861 0.278 -0.508 1.00 0.00 N ATOM 970 N1 A B 1 10.757 1.257 1.357 1.00 0.00 N ATOM 971 C2 A B 1 10.791 2.263 2.221 1.00 0.00 C ATOM 972 N3 A B 1 10.056 3.373 2.233 1.00 0.00 N ATOM 973 C4 A B 1 9.166 3.381 1.208 1.00 0.00 C ATOM 0 H5' A B 1 10.183 6.057 3.959 1.00 0.00 H new ATOM 0 H5'' A B 1 11.023 7.377 3.169 1.00 0.00 H new ATOM 0 H4' A B 1 8.823 8.396 2.533 1.00 0.00 H new ATOM 0 H3' A B 1 7.633 7.090 4.573 1.00 0.00 H new ATOM 0 H2' A B 1 8.242 4.729 3.606 1.00 0.00 H new ATOM 0 HO2' A B 1 5.644 5.524 2.904 1.00 0.00 H new ATOM 0 HO5' A B 1 10.741 7.688 5.475 1.00 0.00 H new ATOM 0 H1' A B 1 7.143 6.036 1.026 1.00 0.00 H new ATOM 0 H8 A B 1 6.715 4.403 -0.628 1.00 0.00 H new ATOM 0 H61 A B 1 10.511 -0.499 -0.390 1.00 0.00 H new ATOM 0 H62 A B 1 9.198 0.275 -1.283 1.00 0.00 H new ATOM 0 H2 A B 1 11.510 2.169 3.021 1.00 0.00 H new ATOM 986 P G B 2 6.051 8.988 3.324 1.00 0.00 P ATOM 987 OP1 G B 2 6.732 9.904 2.384 1.00 0.00 O ATOM 988 OP2 G B 2 6.189 9.190 4.784 1.00 0.00 O ATOM 989 O5' G B 2 4.485 8.942 2.963 1.00 0.00 O ATOM 990 C5' G B 2 4.006 9.330 1.690 1.00 0.00 C ATOM 991 C4' G B 2 2.636 8.710 1.387 1.00 0.00 C ATOM 992 O4' G B 2 2.795 7.490 0.688 1.00 0.00 O ATOM 993 C3' G B 2 1.808 8.423 2.635 1.00 0.00 C ATOM 994 O3' G B 2 1.003 9.543 2.974 1.00 0.00 O ATOM 995 C2' G B 2 1.002 7.186 2.242 1.00 0.00 C ATOM 996 O2' G B 2 -0.242 7.528 1.671 1.00 0.00 O ATOM 997 C1' G B 2 1.833 6.549 1.138 1.00 0.00 C ATOM 998 N9 G B 2 2.524 5.340 1.616 1.00 0.00 N ATOM 999 C8 G B 2 3.428 5.198 2.638 1.00 0.00 C ATOM 1000 N7 G B 2 3.795 3.969 2.832 1.00 0.00 N ATOM 1001 C5 G B 2 3.144 3.249 1.839 1.00 0.00 C ATOM 1002 C6 G B 2 3.211 1.867 1.513 1.00 0.00 C ATOM 1003 O6 G B 2 3.864 0.980 2.052 1.00 0.00 O ATOM 1004 N1 G B 2 2.420 1.541 0.439 1.00 0.00 N ATOM 1005 C2 G B 2 1.637 2.438 -0.252 1.00 0.00 C ATOM 1006 N2 G B 2 0.918 1.950 -1.262 1.00 0.00 N ATOM 1007 N3 G B 2 1.571 3.740 0.032 1.00 0.00 N ATOM 1008 C4 G B 2 2.355 4.081 1.087 1.00 0.00 C ATOM 0 H5' G B 2 4.720 9.027 0.924 1.00 0.00 H new ATOM 0 H5'' G B 2 3.932 10.417 1.645 1.00 0.00 H new ATOM 0 H4' G B 2 2.106 9.451 0.789 1.00 0.00 H new ATOM 0 H3' G B 2 2.399 8.244 3.533 1.00 0.00 H new ATOM 0 H2' G B 2 0.811 6.556 3.111 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.107 7.823 0.746 1.00 0.00 H new ATOM 0 H1' G B 2 1.167 6.260 0.325 1.00 0.00 H new ATOM 0 H8 G B 2 3.798 6.027 3.223 1.00 0.00 H new ATOM 0 H1 G B 2 2.412 0.568 0.132 1.00 0.00 H new ATOM 0 H21 G B 2 0.320 2.570 -1.808 1.00 0.00 H new ATOM 0 H22 G B 2 0.966 0.957 -1.489 1.00 0.00 H new ATOM 1020 P G B 3 0.003 9.515 4.233 1.00 0.00 P ATOM 1021 OP1 G B 3 -0.004 10.856 4.855 1.00 0.00 O ATOM 1022 OP2 G B 3 0.325 8.335 5.061 1.00 0.00 O ATOM 1023 O5' G B 3 -1.445 9.269 3.574 1.00 0.00 O ATOM 1024 C5' G B 3 -2.067 10.253 2.774 1.00 0.00 C ATOM 1025 C4' G B 3 -1.791 9.967 1.299 1.00 0.00 C ATOM 1026 O4' G B 3 -2.509 8.797 0.919 1.00 0.00 O ATOM 1027 C3' G B 3 -2.249 11.105 0.383 1.00 0.00 C ATOM 1028 O3' G B 3 -1.219 11.370 -0.554 1.00 0.00 O ATOM 1029 C2' G B 3 -3.480 10.506 -0.294 1.00 0.00 C ATOM 1030 O2' G B 3 -3.711 11.043 -1.572 1.00 0.00 O ATOM 1031 C1' G B 3 -3.105 9.034 -0.338 1.00 0.00 C ATOM 1032 N9 G B 3 -4.270 8.157 -0.562 1.00 0.00 N ATOM 1033 C8 G B 3 -4.461 7.255 -1.574 1.00 0.00 C ATOM 1034 N7 G B 3 -5.590 6.612 -1.516 1.00 0.00 N ATOM 1035 C5 G B 3 -6.216 7.145 -0.393 1.00 0.00 C ATOM 1036 C6 G B 3 -7.495 6.855 0.168 1.00 0.00 C ATOM 1037 O6 G B 3 -8.332 6.040 -0.216 1.00 0.00 O ATOM 1038 N1 G B 3 -7.758 7.630 1.286 1.00 0.00 N ATOM 1039 C2 G B 3 -6.900 8.572 1.804 1.00 0.00 C ATOM 1040 N2 G B 3 -7.322 9.248 2.869 1.00 0.00 N ATOM 1041 N3 G B 3 -5.693 8.836 1.301 1.00 0.00 N ATOM 1042 C4 G B 3 -5.415 8.095 0.197 1.00 0.00 C ATOM 0 H5' G B 3 -1.692 11.241 3.039 1.00 0.00 H new ATOM 0 H5'' G B 3 -3.141 10.260 2.958 1.00 0.00 H new ATOM 0 H4' G B 3 -0.713 9.847 1.189 1.00 0.00 H new ATOM 0 H3' G B 3 -2.467 12.047 0.886 1.00 0.00 H new ATOM 0 H2' G B 3 -4.415 10.711 0.227 1.00 0.00 H new ATOM 0 HO2' G B 3 -4.507 10.627 -1.963 1.00 0.00 H new ATOM 0 H1' G B 3 -2.439 8.810 -1.171 1.00 0.00 H new ATOM 0 H8 G B 3 -3.734 7.091 -2.356 1.00 0.00 H new ATOM 0 H1 G B 3 -8.651 7.492 1.758 1.00 0.00 H new ATOM 0 H21 G B 3 -6.724 9.958 3.292 1.00 0.00 H new ATOM 0 H22 G B 3 -8.243 9.056 3.262 1.00 0.00 H new ATOM 1054 P A B 4 -1.126 12.791 -1.289 1.00 0.00 P ATOM 1055 OP1 A B 4 0.032 13.509 -0.723 1.00 0.00 O ATOM 1056 OP2 A B 4 -2.467 13.419 -1.260 1.00 0.00 O ATOM 1057 O5' A B 4 -0.777 12.431 -2.818 1.00 0.00 O ATOM 1058 C5' A B 4 -1.723 11.794 -3.649 1.00 0.00 C ATOM 1059 C4' A B 4 -1.202 11.809 -5.083 1.00 0.00 C ATOM 1060 O4' A B 4 -1.698 10.704 -5.814 1.00 0.00 O ATOM 1061 C3' A B 4 -1.688 13.071 -5.785 1.00 0.00 C ATOM 1062 O3' A B 4 -0.748 13.484 -6.761 1.00 0.00 O ATOM 1063 C2' A B 4 -3.024 12.608 -6.370 1.00 0.00 C ATOM 1064 O2' A B 4 -3.295 13.181 -7.631 1.00 0.00 O ATOM 1065 C1' A B 4 -2.856 11.103 -6.525 1.00 0.00 C ATOM 1066 N9 A B 4 -4.053 10.389 -6.044 1.00 0.00 N ATOM 1067 C8 A B 4 -4.477 10.195 -4.753 1.00 0.00 C ATOM 1068 N7 A B 4 -5.560 9.471 -4.654 1.00 0.00 N ATOM 1069 C5 A B 4 -5.892 9.196 -5.980 1.00 0.00 C ATOM 1070 C6 A B 4 -6.938 8.473 -6.587 1.00 0.00 C ATOM 1071 N6 A B 4 -7.883 7.819 -5.908 1.00 0.00 N ATOM 1072 N1 A B 4 -6.997 8.435 -7.923 1.00 0.00 N ATOM 1073 C2 A B 4 -6.065 9.060 -8.625 1.00 0.00 C ATOM 1074 N3 A B 4 -5.019 9.746 -8.192 1.00 0.00 N ATOM 1075 C4 A B 4 -4.995 9.773 -6.835 1.00 0.00 C ATOM 0 H5' A B 4 -2.683 12.306 -3.590 1.00 0.00 H new ATOM 0 H5'' A B 4 -1.888 10.769 -3.317 1.00 0.00 H new ATOM 0 H4' A B 4 -0.113 11.769 -5.043 1.00 0.00 H new ATOM 0 H3' A B 4 -1.802 13.948 -5.147 1.00 0.00 H new ATOM 0 H2' A B 4 -3.854 12.902 -5.727 1.00 0.00 H new ATOM 0 HO2' A B 4 -3.012 14.119 -7.632 1.00 0.00 H new ATOM 0 H1' A B 4 -2.738 10.851 -7.579 1.00 0.00 H new ATOM 0 H8 A B 4 -3.962 10.604 -3.896 1.00 0.00 H new ATOM 0 H61 A B 4 -8.614 7.314 -6.409 1.00 0.00 H new ATOM 0 H62 A B 4 -7.874 7.824 -4.888 1.00 0.00 H new ATOM 0 H2 A B 4 -6.173 9.002 -9.698 1.00 0.00 H new ATOM 1087 P G B 5 -0.714 15.001 -7.292 1.00 0.00 P ATOM 1088 OP1 G B 5 -0.565 15.888 -6.116 1.00 0.00 O ATOM 1089 OP2 G B 5 -1.846 15.203 -8.217 1.00 0.00 O ATOM 1090 O5' G B 5 0.632 15.050 -8.167 1.00 0.00 O ATOM 1091 C5' G B 5 1.880 15.375 -7.594 1.00 0.00 C ATOM 1092 C4' G B 5 2.960 14.390 -8.049 1.00 0.00 C ATOM 1093 O4' G B 5 2.581 13.091 -7.629 1.00 0.00 O ATOM 1094 C3' G B 5 3.138 14.344 -9.567 1.00 0.00 C ATOM 1095 O3' G B 5 4.486 14.036 -9.842 1.00 0.00 O ATOM 1096 C2' G B 5 2.253 13.161 -9.939 1.00 0.00 C ATOM 1097 O2' G B 5 2.610 12.567 -11.169 1.00 0.00 O ATOM 1098 C1' G B 5 2.530 12.239 -8.757 1.00 0.00 C ATOM 1099 N9 G B 5 1.472 11.232 -8.597 1.00 0.00 N ATOM 1100 C8 G B 5 0.115 11.380 -8.678 1.00 0.00 C ATOM 1101 N7 G B 5 -0.553 10.271 -8.518 1.00 0.00 N ATOM 1102 C5 G B 5 0.440 9.317 -8.298 1.00 0.00 C ATOM 1103 C6 G B 5 0.341 7.923 -8.027 1.00 0.00 C ATOM 1104 O6 G B 5 -0.668 7.219 -7.948 1.00 0.00 O ATOM 1105 N1 G B 5 1.587 7.341 -7.836 1.00 0.00 N ATOM 1106 C2 G B 5 2.781 7.992 -8.010 1.00 0.00 C ATOM 1107 N2 G B 5 3.874 7.245 -7.921 1.00 0.00 N ATOM 1108 N3 G B 5 2.895 9.294 -8.258 1.00 0.00 N ATOM 1109 C4 G B 5 1.684 9.896 -8.384 1.00 0.00 C ATOM 0 H5' G B 5 1.801 15.359 -6.507 1.00 0.00 H new ATOM 0 H5'' G B 5 2.163 16.389 -7.878 1.00 0.00 H new ATOM 0 H4' G B 5 3.901 14.723 -7.611 1.00 0.00 H new ATOM 0 H3' G B 5 2.891 15.265 -10.095 1.00 0.00 H new ATOM 0 H2' G B 5 1.205 13.418 -10.092 1.00 0.00 H new ATOM 0 HO2' G B 5 3.042 13.235 -11.742 1.00 0.00 H new ATOM 0 H1' G B 5 3.456 11.681 -8.897 1.00 0.00 H new ATOM 0 H8 G B 5 -0.362 12.332 -8.859 1.00 0.00 H new ATOM 0 H1 G B 5 1.616 6.363 -7.547 1.00 0.00 H new ATOM 0 H21 G B 5 4.793 7.670 -8.041 1.00 0.00 H new ATOM 0 H22 G B 5 3.795 6.246 -7.733 1.00 0.00 H new ATOM 1121 P A B 6 5.164 14.472 -11.225 1.00 0.00 P ATOM 1122 OP1 A B 6 4.119 14.568 -12.266 1.00 0.00 O ATOM 1123 OP2 A B 6 6.347 13.610 -11.449 1.00 0.00 O ATOM 1124 O5' A B 6 5.670 15.950 -10.874 1.00 0.00 O ATOM 1125 C5' A B 6 6.734 16.134 -9.966 1.00 0.00 C ATOM 1126 C4' A B 6 6.866 17.615 -9.614 1.00 0.00 C ATOM 1127 O4' A B 6 5.794 17.979 -8.756 1.00 0.00 O ATOM 1128 C3' A B 6 8.165 17.818 -8.828 1.00 0.00 C ATOM 1129 O3' A B 6 8.674 19.132 -8.984 1.00 0.00 O ATOM 1130 C2' A B 6 7.668 17.643 -7.405 1.00 0.00 C ATOM 1131 O2' A B 6 8.548 18.225 -6.464 1.00 0.00 O ATOM 1132 C1' A B 6 6.344 18.381 -7.520 1.00 0.00 C ATOM 1133 N9 A B 6 5.438 18.136 -6.375 1.00 0.00 N ATOM 1134 C8 A B 6 5.765 17.751 -5.099 1.00 0.00 C ATOM 1135 N7 A B 6 4.745 17.674 -4.286 1.00 0.00 N ATOM 1136 C5 A B 6 3.659 18.032 -5.084 1.00 0.00 C ATOM 1137 C6 A B 6 2.279 18.188 -4.830 1.00 0.00 C ATOM 1138 N6 A B 6 1.715 17.988 -3.640 1.00 0.00 N ATOM 1139 N1 A B 6 1.485 18.559 -5.838 1.00 0.00 N ATOM 1140 C2 A B 6 2.019 18.771 -7.029 1.00 0.00 C ATOM 1141 N3 A B 6 3.284 18.670 -7.402 1.00 0.00 N ATOM 1142 C4 A B 6 4.071 18.292 -6.365 1.00 0.00 C ATOM 0 H5' A B 6 7.664 15.771 -10.403 1.00 0.00 H new ATOM 0 H5'' A B 6 6.558 15.551 -9.062 1.00 0.00 H new ATOM 0 H4' A B 6 6.859 18.212 -10.526 1.00 0.00 H new ATOM 0 H3' A B 6 8.969 17.150 -9.138 1.00 0.00 H new ATOM 0 H2' A B 6 7.588 16.615 -7.052 1.00 0.00 H new ATOM 0 HO2' A B 6 8.603 17.653 -5.670 1.00 0.00 H new ATOM 0 H1' A B 6 6.495 19.460 -7.489 1.00 0.00 H new ATOM 0 H8 A B 6 6.777 17.531 -4.793 1.00 0.00 H new ATOM 0 H61 A B 6 0.710 18.118 -3.524 1.00 0.00 H new ATOM 0 H62 A B 6 2.288 17.705 -2.845 1.00 0.00 H new ATOM 0 H2 A B 6 1.327 19.067 -7.804 1.00 0.00 H new ATOM 1154 P U B 7 9.071 19.712 -10.428 1.00 0.00 P ATOM 1155 OP1 U B 7 9.413 18.577 -11.311 1.00 0.00 O ATOM 1156 OP2 U B 7 10.039 20.811 -10.234 1.00 0.00 O ATOM 1157 O5' U B 7 7.681 20.346 -10.914 1.00 0.00 O ATOM 1158 C5' U B 7 7.283 21.629 -10.478 1.00 0.00 C ATOM 1159 C4' U B 7 5.774 21.795 -10.660 1.00 0.00 C ATOM 1160 O4' U B 7 5.107 21.155 -9.581 1.00 0.00 O ATOM 1161 C3' U B 7 5.403 23.272 -10.581 1.00 0.00 C ATOM 1162 O3' U B 7 4.164 23.470 -11.237 1.00 0.00 O ATOM 1163 C2' U B 7 5.254 23.468 -9.081 1.00 0.00 C ATOM 1164 O2' U B 7 4.437 24.581 -8.796 1.00 0.00 O ATOM 1165 C1' U B 7 4.591 22.147 -8.700 1.00 0.00 C ATOM 1166 N1 U B 7 4.817 21.795 -7.281 1.00 0.00 N ATOM 1167 C2 U B 7 3.706 21.722 -6.452 1.00 0.00 C ATOM 1168 O2 U B 7 2.560 21.924 -6.850 1.00 0.00 O ATOM 1169 N3 U B 7 3.942 21.401 -5.123 1.00 0.00 N ATOM 1170 C4 U B 7 5.178 21.140 -4.560 1.00 0.00 C ATOM 1171 O4 U B 7 5.274 20.855 -3.372 1.00 0.00 O ATOM 1172 C5 U B 7 6.279 21.244 -5.490 1.00 0.00 C ATOM 1173 C6 U B 7 6.074 21.559 -6.793 1.00 0.00 C ATOM 0 H5' U B 7 7.813 22.396 -11.044 1.00 0.00 H new ATOM 0 H5'' U B 7 7.549 21.765 -9.430 1.00 0.00 H new ATOM 0 H4' U B 7 5.490 21.371 -11.623 1.00 0.00 H new ATOM 0 H3' U B 7 6.116 23.956 -11.042 1.00 0.00 H new ATOM 0 H2' U B 7 6.178 23.675 -8.541 1.00 0.00 H new ATOM 0 HO2' U B 7 4.354 24.686 -7.825 1.00 0.00 H new ATOM 0 HO3' U B 7 3.574 24.006 -10.667 1.00 0.00 H new ATOM 0 H1' U B 7 3.509 22.226 -8.803 1.00 0.00 H new ATOM 0 H3 U B 7 3.131 21.353 -4.506 1.00 0.00 H new ATOM 0 H5 U B 7 7.285 21.067 -5.140 1.00 0.00 H new ATOM 0 H6 U B 7 6.921 21.625 -7.460 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -2.851 1.208 -10.604 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.948 -3.850 6.206 1.00 0.00 ZN