USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 886 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot -85:sc= 0.841 USER MOD Set 1.2: A 76 THR OG1 : rot -59:sc= 1.36 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 11 SER OG : rot -81:sc= 0.113 USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -0.0889 (180deg=-0.17) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 22 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.0058) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.24 K(o=-1.2,f=-5.9!) USER MOD Single : A 45 TYR OH : rot -71:sc= 0.772 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= 0.178 (180deg=0.015) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0884 X(o=-0.088,f=-0.12) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot -15:sc= -0.724 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 91 MET CE :methyl -165:sc= -8.48! (180deg=-9.82!) USER MOD Single : A 95 THR OG1 : rot 33:sc= 0.127 USER MOD Single : A 99 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.8!) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.086 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 129 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= -0.0271 K(o=-0.027,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 1.373 -12.584 -1.389 1.00 0.00 N ATOM 67 CA GLY A 8 0.381 -13.052 -0.435 1.00 0.00 C ATOM 68 C GLY A 8 -0.891 -12.206 -0.509 1.00 0.00 C ATOM 69 O GLY A 8 -1.418 -11.962 -1.593 1.00 0.00 O ATOM 0 HA2 GLY A 8 0.140 -14.096 -0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.792 -13.009 0.573 1.00 0.00 H new ATOM 73 N GLN A 9 -1.350 -11.782 0.660 1.00 0.00 N ATOM 74 CA GLN A 9 -2.551 -10.969 0.742 1.00 0.00 C ATOM 75 C GLN A 9 -2.304 -9.745 1.627 1.00 0.00 C ATOM 76 O GLN A 9 -1.655 -9.847 2.667 1.00 0.00 O ATOM 77 CB GLN A 9 -3.734 -11.789 1.259 1.00 0.00 C ATOM 78 CG GLN A 9 -4.259 -12.735 0.177 1.00 0.00 C ATOM 79 CD GLN A 9 -5.504 -13.483 0.660 1.00 0.00 C ATOM 80 OE1 GLN A 9 -6.224 -13.039 1.539 1.00 0.00 O ATOM 81 NE2 GLN A 9 -5.716 -14.639 0.038 1.00 0.00 N ATOM 0 H GLN A 9 -0.911 -11.987 1.558 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.801 -10.624 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.428 -12.364 2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.532 -11.120 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.497 -12.168 -0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.483 -13.451 -0.094 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.073 -14.952 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.521 -15.213 0.288 1.00 0.00 H new ATOM 90 N LEU A 10 -2.835 -8.616 1.181 1.00 0.00 N ATOM 91 CA LEU A 10 -2.680 -7.374 1.920 1.00 0.00 C ATOM 92 C LEU A 10 -4.062 -6.808 2.252 1.00 0.00 C ATOM 93 O LEU A 10 -4.979 -6.880 1.436 1.00 0.00 O ATOM 94 CB LEU A 10 -1.786 -6.400 1.149 1.00 0.00 C ATOM 95 CG LEU A 10 -0.791 -5.596 1.988 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.196 -4.443 1.178 1.00 0.00 C ATOM 97 CD2 LEU A 10 -1.436 -5.111 3.288 1.00 0.00 C ATOM 0 H LEU A 10 -3.373 -8.535 0.318 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.173 -7.555 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.228 -6.964 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.425 -5.701 0.610 1.00 0.00 H new ATOM 0 HG LEU A 10 0.033 -6.254 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.508 -3.888 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.324 -4.841 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.995 -3.777 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.707 -4.542 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.290 -4.475 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.771 -5.969 3.871 1.00 0.00 H new ATOM 109 N SER A 11 -4.167 -6.257 3.453 1.00 0.00 N ATOM 110 CA SER A 11 -5.422 -5.679 3.903 1.00 0.00 C ATOM 111 C SER A 11 -5.296 -4.157 3.989 1.00 0.00 C ATOM 112 O SER A 11 -4.517 -3.639 4.787 1.00 0.00 O ATOM 113 CB SER A 11 -5.838 -6.254 5.259 1.00 0.00 C ATOM 114 OG SER A 11 -4.861 -6.007 6.266 1.00 0.00 O ATOM 0 H SER A 11 -3.404 -6.199 4.127 1.00 0.00 H new ATOM 0 HA SER A 11 -6.195 -5.933 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.789 -5.816 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.997 -7.328 5.164 1.00 0.00 H new ATOM 0 HG SER A 11 -4.143 -6.670 6.195 1.00 0.00 H new ATOM 120 N ILE A 12 -6.074 -3.483 3.154 1.00 0.00 N ATOM 121 CA ILE A 12 -6.060 -2.030 3.125 1.00 0.00 C ATOM 122 C ILE A 12 -7.488 -1.507 3.290 1.00 0.00 C ATOM 123 O ILE A 12 -8.396 -1.935 2.580 1.00 0.00 O ATOM 124 CB ILE A 12 -5.362 -1.527 1.860 1.00 0.00 C ATOM 125 CG1 ILE A 12 -3.879 -1.901 1.865 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.574 -0.022 1.679 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.432 -2.393 0.487 1.00 0.00 C ATOM 0 H ILE A 12 -6.718 -3.916 2.492 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.479 -1.637 3.959 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.815 -2.022 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.283 -1.036 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.699 -2.678 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.068 0.310 0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.640 0.188 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.165 0.509 2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.374 -2.652 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.013 -3.272 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.591 -1.605 -0.250 1.00 0.00 H new ATOM 139 N LYS A 13 -7.641 -0.588 4.232 1.00 0.00 N ATOM 140 CA LYS A 13 -8.944 -0.001 4.500 1.00 0.00 C ATOM 141 C LYS A 13 -8.993 1.410 3.912 1.00 0.00 C ATOM 142 O LYS A 13 -8.177 2.261 4.261 1.00 0.00 O ATOM 143 CB LYS A 13 -9.258 -0.055 5.996 1.00 0.00 C ATOM 144 CG LYS A 13 -10.661 -0.615 6.242 1.00 0.00 C ATOM 145 CD LYS A 13 -11.028 -0.543 7.725 1.00 0.00 C ATOM 146 CE LYS A 13 -9.861 -1.001 8.602 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.282 -1.097 10.017 1.00 0.00 N ATOM 0 H LYS A 13 -6.885 -0.235 4.819 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.730 -0.578 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.520 -0.676 6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.181 0.945 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.388 -0.053 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.708 -1.649 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.304 0.479 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.900 -1.168 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.498 -1.970 8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.032 -0.299 8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.446 -1.038 10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.932 -0.316 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.765 -2.005 10.175 1.00 0.00 H new ATOM 161 N LEU A 14 -9.959 1.615 3.028 1.00 0.00 N ATOM 162 CA LEU A 14 -10.125 2.909 2.388 1.00 0.00 C ATOM 163 C LEU A 14 -11.455 3.524 2.828 1.00 0.00 C ATOM 164 O LEU A 14 -12.390 2.805 3.178 1.00 0.00 O ATOM 165 CB LEU A 14 -9.981 2.778 0.870 1.00 0.00 C ATOM 166 CG LEU A 14 -8.723 2.061 0.375 1.00 0.00 C ATOM 167 CD1 LEU A 14 -8.892 1.595 -1.073 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.484 2.941 0.553 1.00 0.00 C ATOM 0 H LEU A 14 -10.634 0.907 2.740 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.337 3.593 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.852 2.247 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.000 3.777 0.436 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.575 1.170 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.984 1.089 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.735 0.907 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.078 2.457 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.604 2.408 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.607 3.862 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.357 3.181 1.609 1.00 0.00 H new ATOM 180 N TRP A 15 -11.498 4.848 2.797 1.00 0.00 N ATOM 181 CA TRP A 15 -12.697 5.567 3.189 1.00 0.00 C ATOM 182 C TRP A 15 -12.644 6.958 2.552 1.00 0.00 C ATOM 183 O TRP A 15 -11.563 7.497 2.321 1.00 0.00 O ATOM 184 CB TRP A 15 -12.837 5.612 4.712 1.00 0.00 C ATOM 185 CG TRP A 15 -13.820 6.671 5.215 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.641 7.997 5.284 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.151 6.436 5.721 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.755 8.632 5.795 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.702 7.652 6.070 1.00 0.00 C ATOM 190 CE3 TRP A 15 -15.866 5.236 5.880 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -16.992 7.787 6.598 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.154 5.387 6.409 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.723 6.604 6.764 1.00 0.00 C ATOM 0 H TRP A 15 -10.721 5.441 2.506 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.589 5.053 2.830 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.161 4.633 5.066 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.858 5.802 5.151 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.738 8.505 4.978 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.863 9.635 5.943 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.454 4.273 5.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.401 8.751 6.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.746 4.495 6.551 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.725 6.637 7.166 1.00 0.00 H new ATOM 204 N PHE A 16 -13.824 7.498 2.287 1.00 0.00 N ATOM 205 CA PHE A 16 -13.925 8.815 1.682 1.00 0.00 C ATOM 206 C PHE A 16 -14.595 9.807 2.635 1.00 0.00 C ATOM 207 O PHE A 16 -15.678 9.540 3.154 1.00 0.00 O ATOM 208 CB PHE A 16 -14.791 8.666 0.429 1.00 0.00 C ATOM 209 CG PHE A 16 -14.996 9.971 -0.344 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.967 10.849 -0.481 1.00 0.00 C ATOM 211 CD2 PHE A 16 -16.208 10.252 -0.893 1.00 0.00 C ATOM 212 CE1 PHE A 16 -14.158 12.060 -1.199 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.399 11.463 -1.611 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.369 12.341 -1.748 1.00 0.00 C ATOM 0 H PHE A 16 -14.719 7.048 2.480 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.930 9.194 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.331 7.932 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.765 8.270 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -13.005 10.626 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -17.025 9.555 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.341 12.757 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.361 11.686 -2.048 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.514 13.262 -2.293 1.00 0.00 H new ATOM 224 N ASP A 17 -13.922 10.930 2.838 1.00 0.00 N ATOM 225 CA ASP A 17 -14.439 11.963 3.720 1.00 0.00 C ATOM 226 C ASP A 17 -14.991 13.116 2.879 1.00 0.00 C ATOM 227 O ASP A 17 -14.314 14.124 2.681 1.00 0.00 O ATOM 228 CB ASP A 17 -13.335 12.521 4.620 1.00 0.00 C ATOM 229 CG ASP A 17 -13.310 11.952 6.040 1.00 0.00 C ATOM 230 OD1 ASP A 17 -13.120 10.722 6.156 1.00 0.00 O ATOM 231 OD2 ASP A 17 -13.481 12.760 6.978 1.00 0.00 O ATOM 0 H ASP A 17 -13.023 11.147 2.407 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.219 11.519 4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.371 12.327 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.448 13.603 4.680 1.00 0.00 H new ATOM 236 N LYS A 18 -16.215 12.929 2.407 1.00 0.00 N ATOM 237 CA LYS A 18 -16.865 13.941 1.592 1.00 0.00 C ATOM 238 C LYS A 18 -16.955 15.247 2.384 1.00 0.00 C ATOM 239 O LYS A 18 -17.151 16.315 1.807 1.00 0.00 O ATOM 240 CB LYS A 18 -18.218 13.434 1.087 1.00 0.00 C ATOM 241 CG LYS A 18 -19.188 13.209 2.249 1.00 0.00 C ATOM 242 CD LYS A 18 -19.575 11.733 2.361 1.00 0.00 C ATOM 243 CE LYS A 18 -20.590 11.516 3.485 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.865 10.073 3.664 1.00 0.00 N ATOM 0 H LYS A 18 -16.773 12.092 2.573 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.274 14.149 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.643 14.155 0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.080 12.502 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.729 13.540 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.083 13.813 2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.996 11.391 1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.685 11.133 2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.207 11.937 4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.516 12.043 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.556 9.944 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.250 9.681 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.983 9.579 3.906 1.00 0.00 H new ATOM 258 N VAL A 19 -16.807 15.118 3.695 1.00 0.00 N ATOM 259 CA VAL A 19 -16.869 16.275 4.572 1.00 0.00 C ATOM 260 C VAL A 19 -15.843 17.313 4.114 1.00 0.00 C ATOM 261 O VAL A 19 -16.207 18.349 3.560 1.00 0.00 O ATOM 262 CB VAL A 19 -16.671 15.840 6.026 1.00 0.00 C ATOM 263 CG1 VAL A 19 -16.781 17.035 6.975 1.00 0.00 C ATOM 264 CG2 VAL A 19 -17.665 14.743 6.410 1.00 0.00 C ATOM 0 H VAL A 19 -16.644 14.230 4.170 1.00 0.00 H new ATOM 0 HA VAL A 19 -17.852 16.744 4.517 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.666 15.429 6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.637 16.699 8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.017 17.771 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -17.768 17.488 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -17.503 14.452 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -18.682 15.116 6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -17.519 13.878 5.764 1.00 0.00 H new ATOM 274 N GLY A 20 -14.580 16.998 4.361 1.00 0.00 N ATOM 275 CA GLY A 20 -13.498 17.891 3.980 1.00 0.00 C ATOM 276 C GLY A 20 -12.881 17.467 2.646 1.00 0.00 C ATOM 277 O GLY A 20 -11.848 17.996 2.240 1.00 0.00 O ATOM 0 H GLY A 20 -14.281 16.137 4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.874 18.911 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.732 17.891 4.755 1.00 0.00 H new ATOM 281 N HIS A 21 -13.540 16.515 2.001 1.00 0.00 N ATOM 282 CA HIS A 21 -13.069 16.014 0.722 1.00 0.00 C ATOM 283 C HIS A 21 -11.664 15.432 0.884 1.00 0.00 C ATOM 284 O HIS A 21 -10.708 15.933 0.293 1.00 0.00 O ATOM 285 CB HIS A 21 -13.139 17.106 -0.348 1.00 0.00 C ATOM 286 CG HIS A 21 -14.543 17.445 -0.789 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.042 18.736 -0.771 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.546 16.650 -1.259 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.291 18.707 -1.212 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.602 17.414 -1.514 1.00 0.00 N ATOM 0 H HIS A 21 -14.396 16.078 2.341 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.720 15.209 0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.662 18.008 0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.563 16.786 -1.217 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.491 15.581 -1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -16.948 19.558 -1.314 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.498 17.087 -1.876 1.00 0.00 H new ATOM 298 N GLN A 22 -11.582 14.382 1.689 1.00 0.00 N ATOM 299 CA GLN A 22 -10.310 13.727 1.936 1.00 0.00 C ATOM 300 C GLN A 22 -10.458 12.210 1.797 1.00 0.00 C ATOM 301 O GLN A 22 -11.484 11.646 2.173 1.00 0.00 O ATOM 302 CB GLN A 22 -9.760 14.099 3.315 1.00 0.00 C ATOM 303 CG GLN A 22 -10.422 15.374 3.843 1.00 0.00 C ATOM 304 CD GLN A 22 -10.008 15.647 5.290 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.497 16.703 5.628 1.00 0.00 O ATOM 306 NE2 GLN A 22 -10.255 14.641 6.123 1.00 0.00 N ATOM 0 H GLN A 22 -12.376 13.969 2.178 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.595 14.073 1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.933 13.279 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.681 14.243 3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.143 16.220 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.506 15.277 3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.685 13.784 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.015 14.726 7.111 1.00 0.00 H new ATOM 315 N LEU A 23 -9.418 11.593 1.256 1.00 0.00 N ATOM 316 CA LEU A 23 -9.419 10.153 1.062 1.00 0.00 C ATOM 317 C LEU A 23 -8.705 9.484 2.238 1.00 0.00 C ATOM 318 O LEU A 23 -7.517 9.714 2.460 1.00 0.00 O ATOM 319 CB LEU A 23 -8.825 9.795 -0.302 1.00 0.00 C ATOM 320 CG LEU A 23 -9.047 8.357 -0.773 1.00 0.00 C ATOM 321 CD1 LEU A 23 -10.524 8.104 -1.084 1.00 0.00 C ATOM 322 CD2 LEU A 23 -8.146 8.025 -1.964 1.00 0.00 C ATOM 0 H LEU A 23 -8.568 12.064 0.946 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.440 9.771 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.246 10.470 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.752 9.984 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.769 7.685 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.655 7.074 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.119 8.274 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.852 8.784 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.324 6.997 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.370 8.701 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.102 8.140 -1.673 1.00 0.00 H new ATOM 334 N ILE A 24 -9.460 8.670 2.962 1.00 0.00 N ATOM 335 CA ILE A 24 -8.914 7.966 4.109 1.00 0.00 C ATOM 336 C ILE A 24 -8.421 6.586 3.669 1.00 0.00 C ATOM 337 O ILE A 24 -9.177 5.808 3.091 1.00 0.00 O ATOM 338 CB ILE A 24 -9.938 7.919 5.246 1.00 0.00 C ATOM 339 CG1 ILE A 24 -10.081 9.289 5.912 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.587 6.824 6.255 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.434 10.365 4.883 1.00 0.00 C ATOM 0 H ILE A 24 -10.445 8.483 2.776 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.052 8.500 4.508 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.909 7.665 4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.855 9.246 6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.150 9.552 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.330 6.812 7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.578 5.856 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.603 7.022 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.530 11.329 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.646 10.422 4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.378 10.111 4.400 1.00 0.00 H new ATOM 353 N VAL A 25 -7.154 6.325 3.959 1.00 0.00 N ATOM 354 CA VAL A 25 -6.551 5.053 3.600 1.00 0.00 C ATOM 355 C VAL A 25 -5.715 4.541 4.774 1.00 0.00 C ATOM 356 O VAL A 25 -4.647 5.080 5.062 1.00 0.00 O ATOM 357 CB VAL A 25 -5.742 5.204 2.310 1.00 0.00 C ATOM 358 CG1 VAL A 25 -5.386 6.669 2.053 1.00 0.00 C ATOM 359 CG2 VAL A 25 -4.484 4.333 2.347 1.00 0.00 C ATOM 0 H VAL A 25 -6.529 6.973 4.438 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.321 4.308 3.400 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.364 4.861 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.811 6.747 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.301 7.255 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.792 7.050 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.927 4.459 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.859 4.632 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.769 3.287 2.460 1.00 0.00 H new ATOM 369 N THR A 26 -6.231 3.506 5.420 1.00 0.00 N ATOM 370 CA THR A 26 -5.545 2.914 6.556 1.00 0.00 C ATOM 371 C THR A 26 -4.905 1.583 6.159 1.00 0.00 C ATOM 372 O THR A 26 -5.590 0.675 5.691 1.00 0.00 O ATOM 373 CB THR A 26 -6.552 2.787 7.701 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.477 4.042 8.371 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.110 1.773 8.759 1.00 0.00 C ATOM 0 H THR A 26 -7.117 3.062 5.178 1.00 0.00 H new ATOM 0 HA THR A 26 -4.723 3.545 6.894 1.00 0.00 H new ATOM 0 HB THR A 26 -7.522 2.494 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.739 4.025 9.015 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.859 1.721 9.549 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.000 0.791 8.298 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.156 2.083 9.184 1.00 0.00 H new ATOM 383 N ILE A 27 -3.597 1.509 6.360 1.00 0.00 N ATOM 384 CA ILE A 27 -2.856 0.304 6.028 1.00 0.00 C ATOM 385 C ILE A 27 -2.908 -0.664 7.212 1.00 0.00 C ATOM 386 O ILE A 27 -2.121 -0.545 8.150 1.00 0.00 O ATOM 387 CB ILE A 27 -1.435 0.654 5.582 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.455 1.551 4.343 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.603 -0.610 5.361 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.075 0.823 3.148 1.00 0.00 C ATOM 0 H ILE A 27 -3.032 2.264 6.749 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.315 -0.204 5.180 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.955 1.219 6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.022 2.457 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.439 1.861 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.403 -0.333 5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.548 -1.176 6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.070 -1.223 4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.077 1.483 2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.492 -0.070 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.099 0.536 3.388 1.00 0.00 H new ATOM 402 N LEU A 28 -3.843 -1.599 7.131 1.00 0.00 N ATOM 403 CA LEU A 28 -4.008 -2.586 8.185 1.00 0.00 C ATOM 404 C LEU A 28 -2.705 -3.370 8.351 1.00 0.00 C ATOM 405 O LEU A 28 -1.761 -2.887 8.976 1.00 0.00 O ATOM 406 CB LEU A 28 -5.225 -3.469 7.905 1.00 0.00 C ATOM 407 CG LEU A 28 -6.583 -2.763 7.914 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.599 -3.518 7.055 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.084 -2.557 9.345 1.00 0.00 C ATOM 0 H LEU A 28 -4.494 -1.694 6.352 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.210 -2.097 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.090 -3.942 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.248 -4.267 8.647 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.457 -1.775 7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.555 -2.995 7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.239 -3.570 6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.727 -4.527 7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.050 -2.053 9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.190 -3.524 9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.369 -1.946 9.896 1.00 0.00 H new ATOM 421 N GLY A 29 -2.694 -4.566 7.782 1.00 0.00 N ATOM 422 CA GLY A 29 -1.522 -5.421 7.860 1.00 0.00 C ATOM 423 C GLY A 29 -1.558 -6.501 6.776 1.00 0.00 C ATOM 424 O GLY A 29 -2.616 -6.792 6.220 1.00 0.00 O ATOM 0 H GLY A 29 -3.478 -4.963 7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.620 -4.819 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.474 -5.889 8.843 1.00 0.00 H new ATOM 428 N ALA A 30 -0.390 -7.066 6.510 1.00 0.00 N ATOM 429 CA ALA A 30 -0.275 -8.107 5.503 1.00 0.00 C ATOM 430 C ALA A 30 -0.275 -9.475 6.188 1.00 0.00 C ATOM 431 O ALA A 30 0.011 -9.577 7.380 1.00 0.00 O ATOM 432 CB ALA A 30 0.986 -7.873 4.668 1.00 0.00 C ATOM 0 H ALA A 30 0.485 -6.823 6.974 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.126 -8.079 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.072 -8.654 3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.924 -6.901 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.862 -7.897 5.317 1.00 0.00 H new ATOM 438 N LYS A 31 -0.598 -10.494 5.405 1.00 0.00 N ATOM 439 CA LYS A 31 -0.639 -11.851 5.921 1.00 0.00 C ATOM 440 C LYS A 31 -0.423 -12.837 4.770 1.00 0.00 C ATOM 441 O LYS A 31 -0.534 -12.467 3.602 1.00 0.00 O ATOM 442 CB LYS A 31 -1.935 -12.090 6.699 1.00 0.00 C ATOM 443 CG LYS A 31 -3.147 -12.068 5.767 1.00 0.00 C ATOM 444 CD LYS A 31 -3.545 -13.486 5.351 1.00 0.00 C ATOM 445 CE LYS A 31 -4.658 -14.028 6.250 1.00 0.00 C ATOM 446 NZ LYS A 31 -5.906 -14.210 5.476 1.00 0.00 N ATOM 0 H LYS A 31 -0.834 -10.406 4.417 1.00 0.00 H new ATOM 0 HA LYS A 31 0.169 -12.011 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.884 -13.051 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.049 -11.325 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.986 -11.583 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.918 -11.476 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.879 -13.484 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.676 -14.142 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.351 -14.979 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.833 -13.340 7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.651 -14.578 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.206 -13.296 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.739 -14.884 4.702 1.00 0.00 H new ATOM 460 N ASP A 32 -0.118 -14.072 5.141 1.00 0.00 N ATOM 461 CA ASP A 32 0.114 -15.113 4.154 1.00 0.00 C ATOM 462 C ASP A 32 1.278 -14.702 3.250 1.00 0.00 C ATOM 463 O ASP A 32 1.348 -15.118 2.095 1.00 0.00 O ATOM 464 CB ASP A 32 -1.118 -15.321 3.272 1.00 0.00 C ATOM 465 CG ASP A 32 -2.283 -16.045 3.950 1.00 0.00 C ATOM 466 OD1 ASP A 32 -2.035 -16.646 5.018 1.00 0.00 O ATOM 467 OD2 ASP A 32 -3.397 -15.981 3.385 1.00 0.00 O ATOM 0 H ASP A 32 -0.026 -14.375 6.111 1.00 0.00 H new ATOM 0 HA ASP A 32 0.337 -16.038 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.467 -14.348 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.823 -15.887 2.389 1.00 0.00 H new ATOM 472 N LEU A 33 2.163 -13.891 3.811 1.00 0.00 N ATOM 473 CA LEU A 33 3.321 -13.419 3.070 1.00 0.00 C ATOM 474 C LEU A 33 4.133 -14.621 2.582 1.00 0.00 C ATOM 475 O LEU A 33 4.023 -15.714 3.134 1.00 0.00 O ATOM 476 CB LEU A 33 4.130 -12.431 3.912 1.00 0.00 C ATOM 477 CG LEU A 33 3.996 -10.956 3.529 1.00 0.00 C ATOM 478 CD1 LEU A 33 2.658 -10.689 2.838 1.00 0.00 C ATOM 479 CD2 LEU A 33 4.203 -10.052 4.746 1.00 0.00 C ATOM 0 H LEU A 33 2.102 -13.549 4.770 1.00 0.00 H new ATOM 0 HA LEU A 33 3.007 -12.865 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.832 -12.544 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.182 -12.708 3.850 1.00 0.00 H new ATOM 0 HG LEU A 33 4.782 -10.716 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.588 -9.633 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.589 -11.293 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.842 -10.951 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.102 -9.009 4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.455 -10.285 5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.199 -10.217 5.157 1.00 0.00 H new ATOM 612 N ARG A 42 12.169 -11.257 7.392 1.00 0.00 N ATOM 613 CA ARG A 42 12.401 -10.083 6.569 1.00 0.00 C ATOM 614 C ARG A 42 11.744 -8.853 7.199 1.00 0.00 C ATOM 615 O ARG A 42 11.093 -8.957 8.238 1.00 0.00 O ATOM 616 CB ARG A 42 11.846 -10.281 5.157 1.00 0.00 C ATOM 617 CG ARG A 42 10.433 -10.866 5.200 1.00 0.00 C ATOM 618 CD ARG A 42 9.668 -10.549 3.914 1.00 0.00 C ATOM 619 NE ARG A 42 9.913 -11.604 2.906 1.00 0.00 N ATOM 620 CZ ARG A 42 9.077 -11.889 1.898 1.00 0.00 C ATOM 621 NH1 ARG A 42 7.937 -11.199 1.757 1.00 0.00 N ATOM 622 NH2 ARG A 42 9.381 -12.864 1.031 1.00 0.00 N ATOM 0 HA ARG A 42 13.479 -9.931 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.832 -9.327 4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.502 -10.946 4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.487 -11.946 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.894 -10.461 6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.601 -10.476 4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.982 -9.581 3.523 1.00 0.00 H new ATOM 0 HE ARG A 42 10.772 -12.149 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.705 -10.457 2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.301 -11.416 0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.249 -13.389 1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.745 -13.081 0.264 1.00 0.00 H new ATOM 636 N ASN A 43 11.936 -7.718 6.545 1.00 0.00 N ATOM 637 CA ASN A 43 11.370 -6.470 7.028 1.00 0.00 C ATOM 638 C ASN A 43 10.440 -5.889 5.961 1.00 0.00 C ATOM 639 O ASN A 43 10.868 -5.097 5.123 1.00 0.00 O ATOM 640 CB ASN A 43 12.466 -5.441 7.311 1.00 0.00 C ATOM 641 CG ASN A 43 13.532 -6.017 8.245 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.440 -7.138 8.717 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.545 -5.190 8.485 1.00 0.00 N ATOM 0 H ASN A 43 12.476 -7.636 5.684 1.00 0.00 H new ATOM 0 HA ASN A 43 10.827 -6.681 7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.928 -5.130 6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.026 -4.551 7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.307 -5.481 9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.560 -4.264 8.057 1.00 0.00 H new ATOM 650 N PRO A 44 9.150 -6.317 6.028 1.00 0.00 N ATOM 651 CA PRO A 44 8.156 -5.848 5.078 1.00 0.00 C ATOM 652 C PRO A 44 7.732 -4.412 5.392 1.00 0.00 C ATOM 653 O PRO A 44 7.848 -3.961 6.530 1.00 0.00 O ATOM 654 CB PRO A 44 7.011 -6.842 5.185 1.00 0.00 C ATOM 655 CG PRO A 44 7.202 -7.558 6.512 1.00 0.00 C ATOM 656 CD PRO A 44 8.607 -7.254 7.007 1.00 0.00 C ATOM 0 HA PRO A 44 8.536 -5.806 4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.048 -6.333 5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.028 -7.548 4.355 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.461 -7.222 7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.064 -8.632 6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.589 -6.817 8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.211 -8.160 7.066 1.00 0.00 H new ATOM 664 N TYR A 45 7.250 -3.733 4.361 1.00 0.00 N ATOM 665 CA TYR A 45 6.809 -2.357 4.512 1.00 0.00 C ATOM 666 C TYR A 45 6.017 -1.897 3.286 1.00 0.00 C ATOM 667 O TYR A 45 6.515 -1.957 2.163 1.00 0.00 O ATOM 668 CB TYR A 45 8.081 -1.516 4.628 1.00 0.00 C ATOM 669 CG TYR A 45 8.812 -1.307 3.300 1.00 0.00 C ATOM 670 CD1 TYR A 45 8.419 -0.296 2.447 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.864 -2.131 2.954 1.00 0.00 C ATOM 672 CE1 TYR A 45 9.106 -0.100 1.197 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.552 -1.935 1.704 1.00 0.00 C ATOM 674 CZ TYR A 45 10.139 -0.929 0.887 1.00 0.00 C ATOM 675 OH TYR A 45 10.788 -0.744 -0.293 1.00 0.00 O ATOM 0 H TYR A 45 7.155 -4.110 3.418 1.00 0.00 H new ATOM 0 HA TYR A 45 6.161 -2.256 5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.824 -0.543 5.047 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.759 -1.997 5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.596 0.349 2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.171 -2.923 3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.808 0.687 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.377 -2.572 1.422 1.00 0.00 H new ATOM 0 HH TYR A 45 10.204 -1.012 -1.033 1.00 0.00 H new ATOM 685 N VAL A 46 4.797 -1.449 3.543 1.00 0.00 N ATOM 686 CA VAL A 46 3.932 -0.979 2.475 1.00 0.00 C ATOM 687 C VAL A 46 4.309 0.459 2.114 1.00 0.00 C ATOM 688 O VAL A 46 4.845 1.191 2.945 1.00 0.00 O ATOM 689 CB VAL A 46 2.465 -1.128 2.885 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.541 -1.004 1.672 1.00 0.00 C ATOM 691 CG2 VAL A 46 2.233 -2.450 3.619 1.00 0.00 C ATOM 0 H VAL A 46 4.387 -1.402 4.476 1.00 0.00 H new ATOM 0 HA VAL A 46 4.068 -1.585 1.579 1.00 0.00 H new ATOM 0 HB VAL A 46 2.225 -0.317 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.505 -1.114 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.677 -0.026 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.782 -1.784 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.183 -2.531 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.499 -3.281 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.851 -2.482 4.516 1.00 0.00 H new ATOM 701 N LYS A 47 4.014 0.821 0.874 1.00 0.00 N ATOM 702 CA LYS A 47 4.316 2.158 0.393 1.00 0.00 C ATOM 703 C LYS A 47 3.210 2.614 -0.561 1.00 0.00 C ATOM 704 O LYS A 47 3.080 2.085 -1.664 1.00 0.00 O ATOM 705 CB LYS A 47 5.716 2.204 -0.222 1.00 0.00 C ATOM 706 CG LYS A 47 6.520 3.382 0.330 1.00 0.00 C ATOM 707 CD LYS A 47 7.289 4.093 -0.785 1.00 0.00 C ATOM 708 CE LYS A 47 8.570 3.333 -1.138 1.00 0.00 C ATOM 709 NZ LYS A 47 9.756 4.043 -0.609 1.00 0.00 N ATOM 0 H LYS A 47 3.569 0.211 0.188 1.00 0.00 H new ATOM 0 HA LYS A 47 4.335 2.865 1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.240 1.272 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.638 2.289 -1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.849 4.087 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.218 3.027 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.658 4.179 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.538 5.107 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.528 2.325 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.653 3.231 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.616 3.514 -0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.804 4.996 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.682 4.119 0.426 1.00 0.00 H new ATOM 723 N ILE A 48 2.442 3.591 -0.102 1.00 0.00 N ATOM 724 CA ILE A 48 1.351 4.124 -0.901 1.00 0.00 C ATOM 725 C ILE A 48 1.856 5.316 -1.716 1.00 0.00 C ATOM 726 O ILE A 48 2.859 5.934 -1.361 1.00 0.00 O ATOM 727 CB ILE A 48 0.148 4.450 -0.015 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.239 3.248 0.850 1.00 0.00 C ATOM 729 CG2 ILE A 48 -1.029 4.956 -0.852 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.372 3.651 2.320 1.00 0.00 C ATOM 0 H ILE A 48 2.553 4.028 0.813 1.00 0.00 H new ATOM 0 HA ILE A 48 1.000 3.377 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 48 0.432 5.256 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.182 2.830 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.514 2.466 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.871 5.180 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.734 5.859 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.321 4.189 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.648 2.779 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.579 4.046 2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.143 4.416 2.419 1.00 0.00 H new ATOM 742 N TYR A 49 1.139 5.604 -2.792 1.00 0.00 N ATOM 743 CA TYR A 49 1.502 6.711 -3.659 1.00 0.00 C ATOM 744 C TYR A 49 0.281 7.239 -4.414 1.00 0.00 C ATOM 745 O TYR A 49 -0.124 6.667 -5.425 1.00 0.00 O ATOM 746 CB TYR A 49 2.505 6.146 -4.667 1.00 0.00 C ATOM 747 CG TYR A 49 3.965 6.266 -4.227 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.493 7.504 -3.920 1.00 0.00 C ATOM 749 CD2 TYR A 49 4.754 5.137 -4.136 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.868 7.617 -3.505 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.128 5.251 -3.721 1.00 0.00 C ATOM 752 CZ TYR A 49 6.617 6.485 -3.427 1.00 0.00 C ATOM 753 OH TYR A 49 7.915 6.592 -3.035 1.00 0.00 O ATOM 0 H TYR A 49 0.308 5.089 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 49 1.914 7.535 -3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.275 5.095 -4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.379 6.664 -5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.876 8.387 -3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.341 4.168 -4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.294 8.579 -3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.756 4.376 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 49 8.328 5.703 -3.024 1.00 0.00 H new ATOM 763 N PHE A 50 -0.272 8.325 -3.895 1.00 0.00 N ATOM 764 CA PHE A 50 -1.439 8.937 -4.507 1.00 0.00 C ATOM 765 C PHE A 50 -1.098 9.512 -5.884 1.00 0.00 C ATOM 766 O PHE A 50 -0.759 10.688 -6.003 1.00 0.00 O ATOM 767 CB PHE A 50 -1.881 10.077 -3.587 1.00 0.00 C ATOM 768 CG PHE A 50 -3.236 10.684 -3.956 1.00 0.00 C ATOM 769 CD1 PHE A 50 -4.364 9.928 -3.881 1.00 0.00 C ATOM 770 CD2 PHE A 50 -3.313 11.981 -4.360 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.621 10.491 -4.224 1.00 0.00 C ATOM 772 CE2 PHE A 50 -4.571 12.545 -4.702 1.00 0.00 C ATOM 773 CZ PHE A 50 -5.698 11.788 -4.627 1.00 0.00 C ATOM 0 H PHE A 50 0.067 8.797 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.224 8.192 -4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.927 9.707 -2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.125 10.862 -3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.303 8.899 -3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.418 12.582 -4.421 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.516 9.890 -4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.632 13.575 -5.022 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.655 12.217 -4.887 1.00 0.00 H new ATOM 783 N LEU A 51 -1.200 8.655 -6.889 1.00 0.00 N ATOM 784 CA LEU A 51 -0.906 9.062 -8.253 1.00 0.00 C ATOM 785 C LEU A 51 -1.763 10.277 -8.613 1.00 0.00 C ATOM 786 O LEU A 51 -2.766 10.551 -7.955 1.00 0.00 O ATOM 787 CB LEU A 51 -1.076 7.883 -9.213 1.00 0.00 C ATOM 788 CG LEU A 51 0.197 7.103 -9.549 1.00 0.00 C ATOM 789 CD1 LEU A 51 1.214 7.197 -8.410 1.00 0.00 C ATOM 790 CD2 LEU A 51 -0.129 5.652 -9.909 1.00 0.00 C ATOM 0 H LEU A 51 -1.482 7.680 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 51 0.136 9.368 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.800 7.191 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.506 8.256 -10.143 1.00 0.00 H new ATOM 0 HG LEU A 51 0.655 7.558 -10.427 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.109 6.634 -8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.478 8.241 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.780 6.783 -7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.793 5.119 -10.144 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.622 5.170 -9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.790 5.632 -10.775 1.00 0.00 H new ATOM 933 N ARG A 60 2.861 8.346 1.173 1.00 0.00 N ATOM 934 CA ARG A 60 2.467 7.741 2.434 1.00 0.00 C ATOM 935 C ARG A 60 3.065 6.338 2.559 1.00 0.00 C ATOM 936 O ARG A 60 2.801 5.471 1.727 1.00 0.00 O ATOM 937 CB ARG A 60 0.944 7.651 2.550 1.00 0.00 C ATOM 938 CG ARG A 60 0.331 9.029 2.807 1.00 0.00 C ATOM 939 CD ARG A 60 0.729 9.557 4.187 1.00 0.00 C ATOM 940 NE ARG A 60 -0.308 10.484 4.693 1.00 0.00 N ATOM 941 CZ ARG A 60 -0.412 10.869 5.972 1.00 0.00 C ATOM 942 NH1 ARG A 60 0.458 10.411 6.883 1.00 0.00 N ATOM 943 NH2 ARG A 60 -1.385 11.714 6.340 1.00 0.00 N ATOM 0 HA ARG A 60 2.844 8.374 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.530 7.230 1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.677 6.973 3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.661 9.727 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.755 8.967 2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.855 8.726 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.689 10.070 4.126 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.986 10.853 4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.200 9.769 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.379 10.704 7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.046 12.064 5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.464 12.007 7.314 1.00 0.00 H new ATOM 957 N ARG A 61 3.858 6.158 3.605 1.00 0.00 N ATOM 958 CA ARG A 61 4.495 4.875 3.849 1.00 0.00 C ATOM 959 C ARG A 61 4.372 4.494 5.325 1.00 0.00 C ATOM 960 O ARG A 61 4.494 5.347 6.203 1.00 0.00 O ATOM 961 CB ARG A 61 5.975 4.913 3.461 1.00 0.00 C ATOM 962 CG ARG A 61 6.624 3.539 3.641 1.00 0.00 C ATOM 963 CD ARG A 61 8.149 3.642 3.587 1.00 0.00 C ATOM 964 NE ARG A 61 8.671 4.121 4.887 1.00 0.00 N ATOM 965 CZ ARG A 61 8.886 5.410 5.181 1.00 0.00 C ATOM 966 NH1 ARG A 61 8.626 6.358 4.270 1.00 0.00 N ATOM 967 NH2 ARG A 61 9.361 5.752 6.386 1.00 0.00 N ATOM 0 H ARG A 61 4.074 6.879 4.293 1.00 0.00 H new ATOM 0 HA ARG A 61 3.988 4.131 3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.075 5.233 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.497 5.649 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.318 3.111 4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.274 2.862 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.579 2.669 3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.448 4.325 2.792 1.00 0.00 H new ATOM 0 HE ARG A 61 8.880 3.426 5.604 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.264 6.098 3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.790 7.339 4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.559 5.031 7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.525 6.734 6.610 1.00 0.00 H new ATOM 981 N THR A 62 4.132 3.211 5.554 1.00 0.00 N ATOM 982 CA THR A 62 3.991 2.707 6.910 1.00 0.00 C ATOM 983 C THR A 62 5.365 2.436 7.524 1.00 0.00 C ATOM 984 O THR A 62 6.380 2.488 6.830 1.00 0.00 O ATOM 985 CB THR A 62 3.092 1.469 6.862 1.00 0.00 C ATOM 986 OG1 THR A 62 3.720 0.621 5.904 1.00 0.00 O ATOM 987 CG2 THR A 62 1.719 1.765 6.255 1.00 0.00 C ATOM 0 H THR A 62 4.032 2.506 4.824 1.00 0.00 H new ATOM 0 HA THR A 62 3.520 3.445 7.559 1.00 0.00 H new ATOM 0 HB THR A 62 2.965 1.073 7.870 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.203 -0.207 5.811 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.122 0.853 6.245 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.213 2.524 6.852 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.843 2.129 5.235 1.00 0.00 H new ATOM 995 N LYS A 63 5.355 2.155 8.819 1.00 0.00 N ATOM 996 CA LYS A 63 6.588 1.877 9.534 1.00 0.00 C ATOM 997 C LYS A 63 7.144 0.526 9.078 1.00 0.00 C ATOM 998 O LYS A 63 6.384 -0.398 8.794 1.00 0.00 O ATOM 999 CB LYS A 63 6.364 1.971 11.045 1.00 0.00 C ATOM 1000 CG LYS A 63 5.157 1.134 11.473 1.00 0.00 C ATOM 1001 CD LYS A 63 5.411 0.455 12.821 1.00 0.00 C ATOM 1002 CE LYS A 63 4.572 -0.816 12.961 1.00 0.00 C ATOM 1003 NZ LYS A 63 3.153 -0.477 13.206 1.00 0.00 N ATOM 0 H LYS A 63 4.512 2.114 9.391 1.00 0.00 H new ATOM 0 HA LYS A 63 7.342 2.628 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.255 1.627 11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.209 3.012 11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.275 1.770 11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.946 0.379 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.469 0.209 12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.171 1.144 13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.657 -1.416 12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.954 -1.422 13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.563 -1.318 13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.038 -0.153 14.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.860 0.280 12.556 1.00 0.00 H new ATOM 1017 N THR A 64 8.466 0.455 9.021 1.00 0.00 N ATOM 1018 CA THR A 64 9.132 -0.767 8.604 1.00 0.00 C ATOM 1019 C THR A 64 9.192 -1.764 9.763 1.00 0.00 C ATOM 1020 O THR A 64 9.878 -1.527 10.756 1.00 0.00 O ATOM 1021 CB THR A 64 10.510 -0.391 8.055 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.231 0.176 6.778 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.369 -1.617 7.740 1.00 0.00 C ATOM 0 H THR A 64 9.093 1.224 9.257 1.00 0.00 H new ATOM 0 HA THR A 64 8.576 -1.269 7.812 1.00 0.00 H new ATOM 0 HB THR A 64 11.029 0.239 8.777 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.070 0.450 6.351 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.336 -1.294 7.354 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.518 -2.200 8.649 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.866 -2.231 6.993 1.00 0.00 H new ATOM 1031 N VAL A 65 8.464 -2.859 9.598 1.00 0.00 N ATOM 1032 CA VAL A 65 8.425 -3.893 10.618 1.00 0.00 C ATOM 1033 C VAL A 65 9.687 -4.752 10.516 1.00 0.00 C ATOM 1034 O VAL A 65 10.269 -4.880 9.440 1.00 0.00 O ATOM 1035 CB VAL A 65 7.136 -4.707 10.490 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.703 -5.266 11.847 1.00 0.00 C ATOM 1037 CG2 VAL A 65 6.020 -3.871 9.860 1.00 0.00 C ATOM 0 H VAL A 65 7.896 -3.052 8.773 1.00 0.00 H new ATOM 0 HA VAL A 65 8.414 -3.447 11.613 1.00 0.00 H new ATOM 0 HB VAL A 65 7.337 -5.550 9.829 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.784 -5.840 11.728 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.487 -5.913 12.241 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.529 -4.443 12.541 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.115 -4.473 9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.822 -2.999 10.484 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.327 -3.544 8.866 1.00 0.00 H new ATOM 1047 N LYS A 66 10.073 -5.317 11.650 1.00 0.00 N ATOM 1048 CA LYS A 66 11.256 -6.160 11.701 1.00 0.00 C ATOM 1049 C LYS A 66 10.836 -7.602 11.997 1.00 0.00 C ATOM 1050 O LYS A 66 10.139 -7.861 12.976 1.00 0.00 O ATOM 1051 CB LYS A 66 12.271 -5.599 12.698 1.00 0.00 C ATOM 1052 CG LYS A 66 12.589 -4.134 12.390 1.00 0.00 C ATOM 1053 CD LYS A 66 13.985 -3.992 11.781 1.00 0.00 C ATOM 1054 CE LYS A 66 14.550 -2.591 12.025 1.00 0.00 C ATOM 1055 NZ LYS A 66 16.026 -2.638 12.124 1.00 0.00 N ATOM 0 H LYS A 66 9.588 -5.208 12.541 1.00 0.00 H new ATOM 0 HA LYS A 66 11.762 -6.166 10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.877 -5.684 13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.187 -6.189 12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.845 -3.734 11.701 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.526 -3.544 13.305 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.652 -4.737 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.940 -4.188 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.255 -1.927 11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.131 -2.178 12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.394 -1.679 12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.301 -3.256 12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.422 -3.012 11.238 1.00 0.00 H new ATOM 1069 N LYS A 67 11.279 -8.502 11.132 1.00 0.00 N ATOM 1070 CA LYS A 67 10.959 -9.911 11.288 1.00 0.00 C ATOM 1071 C LYS A 67 9.477 -10.057 11.638 1.00 0.00 C ATOM 1072 O LYS A 67 9.102 -9.988 12.808 1.00 0.00 O ATOM 1073 CB LYS A 67 11.898 -10.565 12.303 1.00 0.00 C ATOM 1074 CG LYS A 67 13.360 -10.242 11.986 1.00 0.00 C ATOM 1075 CD LYS A 67 14.157 -9.993 13.267 1.00 0.00 C ATOM 1076 CE LYS A 67 15.585 -10.526 13.137 1.00 0.00 C ATOM 1077 NZ LYS A 67 16.477 -9.487 12.575 1.00 0.00 N ATOM 0 H LYS A 67 11.857 -8.283 10.321 1.00 0.00 H new ATOM 0 HA LYS A 67 11.120 -10.444 10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.654 -10.216 13.306 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.751 -11.645 12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.806 -11.067 11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.411 -9.362 11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.182 -8.925 13.482 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.660 -10.476 14.108 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.953 -10.840 14.114 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.594 -11.407 12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.442 -9.865 12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.134 -9.207 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.482 -8.658 13.202 1.00 0.00 H new ATOM 1091 N THR A 68 8.674 -10.255 10.603 1.00 0.00 N ATOM 1092 CA THR A 68 7.241 -10.410 10.787 1.00 0.00 C ATOM 1093 C THR A 68 6.561 -10.712 9.450 1.00 0.00 C ATOM 1094 O THR A 68 6.602 -9.895 8.531 1.00 0.00 O ATOM 1095 CB THR A 68 6.711 -9.146 11.467 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.533 -9.582 12.140 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.204 -8.110 10.462 1.00 0.00 C ATOM 0 H THR A 68 8.988 -10.312 9.634 1.00 0.00 H new ATOM 0 HA THR A 68 7.015 -11.261 11.430 1.00 0.00 H new ATOM 0 HB THR A 68 7.499 -8.705 12.078 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.125 -8.825 12.610 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.839 -7.233 10.996 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.018 -7.818 9.798 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.393 -8.540 9.874 1.00 0.00 H new ATOM 1105 N LEU A 69 5.952 -11.886 9.384 1.00 0.00 N ATOM 1106 CA LEU A 69 5.264 -12.305 8.174 1.00 0.00 C ATOM 1107 C LEU A 69 3.901 -11.615 8.103 1.00 0.00 C ATOM 1108 O LEU A 69 3.308 -11.514 7.030 1.00 0.00 O ATOM 1109 CB LEU A 69 5.185 -13.832 8.105 1.00 0.00 C ATOM 1110 CG LEU A 69 6.519 -14.577 8.178 1.00 0.00 C ATOM 1111 CD1 LEU A 69 6.477 -15.859 7.344 1.00 0.00 C ATOM 1112 CD2 LEU A 69 7.679 -13.666 7.770 1.00 0.00 C ATOM 0 H LEU A 69 5.920 -12.561 10.148 1.00 0.00 H new ATOM 0 HA LEU A 69 5.824 -11.997 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.552 -14.180 8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.688 -14.109 7.175 1.00 0.00 H new ATOM 0 HG LEU A 69 6.690 -14.871 9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.438 -16.370 7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.691 -16.513 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.273 -15.609 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.616 -14.220 7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.528 -13.320 6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.721 -12.808 8.441 1.00 0.00 H new ATOM 1124 N GLU A 70 3.443 -11.157 9.259 1.00 0.00 N ATOM 1125 CA GLU A 70 2.161 -10.479 9.341 1.00 0.00 C ATOM 1126 C GLU A 70 2.324 -9.114 10.013 1.00 0.00 C ATOM 1127 O GLU A 70 2.103 -8.981 11.216 1.00 0.00 O ATOM 1128 CB GLU A 70 1.133 -11.336 10.082 1.00 0.00 C ATOM 1129 CG GLU A 70 0.247 -12.103 9.099 1.00 0.00 C ATOM 1130 CD GLU A 70 -0.662 -13.090 9.835 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -0.165 -14.193 10.149 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -1.833 -12.720 10.067 1.00 0.00 O ATOM 0 H GLU A 70 3.938 -11.242 10.147 1.00 0.00 H new ATOM 0 HA GLU A 70 1.791 -10.321 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.646 -12.038 10.739 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.514 -10.701 10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.360 -11.401 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.871 -12.641 8.385 1.00 0.00 H new ATOM 1139 N PRO A 71 2.719 -8.110 9.186 1.00 0.00 N ATOM 1140 CA PRO A 71 2.914 -6.760 9.688 1.00 0.00 C ATOM 1141 C PRO A 71 1.573 -6.070 9.942 1.00 0.00 C ATOM 1142 O PRO A 71 0.677 -6.118 9.100 1.00 0.00 O ATOM 1143 CB PRO A 71 3.750 -6.063 8.627 1.00 0.00 C ATOM 1144 CG PRO A 71 3.599 -6.895 7.364 1.00 0.00 C ATOM 1145 CD PRO A 71 2.990 -8.231 7.757 1.00 0.00 C ATOM 0 HA PRO A 71 3.421 -6.739 10.653 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.404 -5.042 8.466 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.795 -6.001 8.931 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.962 -6.382 6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.567 -7.043 6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.077 -8.430 7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.675 -9.054 7.552 1.00 0.00 H new ATOM 1153 N LYS A 72 1.476 -5.444 11.106 1.00 0.00 N ATOM 1154 CA LYS A 72 0.259 -4.746 11.481 1.00 0.00 C ATOM 1155 C LYS A 72 0.563 -3.256 11.650 1.00 0.00 C ATOM 1156 O LYS A 72 1.068 -2.836 12.690 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.369 -5.389 12.719 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.907 -6.785 12.397 1.00 0.00 C ATOM 1159 CD LYS A 72 -2.150 -7.100 13.233 1.00 0.00 C ATOM 1160 CE LYS A 72 -2.057 -8.497 13.849 1.00 0.00 C ATOM 1161 NZ LYS A 72 -3.405 -9.090 13.994 1.00 0.00 N ATOM 0 H LYS A 72 2.221 -5.406 11.802 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.488 -4.833 10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.373 -5.456 13.515 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.178 -4.760 13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.152 -6.849 11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.135 -7.530 12.591 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.259 -6.357 14.023 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.040 -7.033 12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.437 -9.137 13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.572 -8.440 14.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.324 -10.038 14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.985 -8.487 14.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.855 -9.163 13.059 1.00 0.00 H new ATOM 1175 N TRP A 73 0.242 -2.497 10.612 1.00 0.00 N ATOM 1176 CA TRP A 73 0.474 -1.063 10.633 1.00 0.00 C ATOM 1177 C TRP A 73 -0.797 -0.385 11.148 1.00 0.00 C ATOM 1178 O TRP A 73 -0.728 0.541 11.954 1.00 0.00 O ATOM 1179 CB TRP A 73 0.905 -0.558 9.255 1.00 0.00 C ATOM 1180 CG TRP A 73 1.975 -1.420 8.582 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.300 -1.396 8.781 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.755 -2.442 7.587 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.947 -2.323 7.990 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.978 -2.979 7.241 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.562 -2.897 6.998 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 3.126 -4.001 6.295 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.727 -3.918 6.055 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.951 -4.470 5.696 1.00 0.00 C ATOM 0 H TRP A 73 -0.177 -2.849 9.751 1.00 0.00 H new ATOM 0 HA TRP A 73 1.296 -0.815 11.304 1.00 0.00 H new ATOM 0 HB2 TRP A 73 0.030 -0.511 8.607 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.283 0.460 9.354 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.799 -0.734 9.474 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.952 -2.495 7.961 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.406 -2.491 7.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.095 -4.406 6.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.159 -4.304 5.573 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.995 -5.257 4.958 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.928 -0.874 10.661 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.213 -0.327 11.062 1.00 0.00 C ATOM 1201 C ASN A 74 -3.094 1.192 11.206 1.00 0.00 C ATOM 1202 O ASN A 74 -3.713 1.786 12.087 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.658 -0.896 12.411 1.00 0.00 C ATOM 1204 CG ASN A 74 -4.923 -1.743 12.259 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -6.036 -1.281 12.449 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -4.691 -3.004 11.906 1.00 0.00 N ATOM 0 H ASN A 74 -1.981 -1.643 9.993 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.945 -0.593 10.299 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.858 -1.503 12.835 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.844 -0.081 13.110 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.470 -3.649 11.778 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.734 -3.326 11.763 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.294 1.776 10.326 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.085 3.214 10.344 1.00 0.00 C ATOM 1215 C GLN A 75 -3.182 3.920 9.543 1.00 0.00 C ATOM 1216 O GLN A 75 -4.006 3.267 8.904 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.698 3.574 9.809 1.00 0.00 C ATOM 1218 CG GLN A 75 0.375 3.358 10.878 1.00 0.00 C ATOM 1219 CD GLN A 75 0.921 4.695 11.385 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.323 5.367 12.209 1.00 0.00 O ATOM 1221 NE2 GLN A 75 2.087 5.041 10.847 1.00 0.00 N ATOM 0 H GLN A 75 -1.783 1.280 9.596 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.139 3.556 11.378 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.472 2.965 8.934 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.688 4.614 9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.045 2.793 11.711 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.189 2.761 10.466 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.534 4.431 10.162 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.535 5.916 11.119 1.00 0.00 H new ATOM 1230 N THR A 76 -3.156 5.243 9.604 1.00 0.00 N ATOM 1231 CA THR A 76 -4.138 6.044 8.892 1.00 0.00 C ATOM 1232 C THR A 76 -3.441 7.065 7.991 1.00 0.00 C ATOM 1233 O THR A 76 -2.377 7.578 8.335 1.00 0.00 O ATOM 1234 CB THR A 76 -5.068 6.681 9.927 1.00 0.00 C ATOM 1235 OG1 THR A 76 -6.033 5.668 10.197 1.00 0.00 O ATOM 1236 CG2 THR A 76 -5.889 7.833 9.344 1.00 0.00 C ATOM 0 H THR A 76 -2.471 5.781 10.135 1.00 0.00 H new ATOM 0 HA THR A 76 -4.743 5.429 8.225 1.00 0.00 H new ATOM 0 HB THR A 76 -4.480 7.044 10.770 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.500 5.432 9.369 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.532 8.250 10.119 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.217 8.608 8.974 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.503 7.463 8.523 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.068 7.329 6.855 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.522 8.280 5.901 1.00 0.00 C ATOM 1246 C PHE A 77 -4.639 9.026 5.169 1.00 0.00 C ATOM 1247 O PHE A 77 -5.400 8.425 4.413 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.709 7.476 4.884 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.552 6.685 5.498 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.621 7.322 6.258 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.454 5.346 5.283 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.453 6.587 6.827 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.380 4.612 5.852 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.551 5.248 6.612 1.00 0.00 C ATOM 0 H PHE A 77 -4.950 6.901 6.573 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.910 9.018 6.420 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.375 6.785 4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.311 8.157 4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.698 8.386 6.429 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.193 4.841 4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.192 7.092 7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.303 3.548 5.681 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.368 4.690 7.045 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.702 10.326 5.419 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.713 11.160 4.793 1.00 0.00 C ATOM 1266 C ILE A 78 -5.105 11.866 3.579 1.00 0.00 C ATOM 1267 O ILE A 78 -3.983 12.365 3.645 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.327 12.117 5.817 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.326 11.388 6.718 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -6.956 13.329 5.127 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.444 12.079 8.078 1.00 0.00 C ATOM 0 H ILE A 78 -4.069 10.822 6.047 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.538 10.549 4.427 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.528 12.490 6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.303 11.359 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.008 10.355 6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.385 13.993 5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.192 13.864 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.740 12.995 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.160 11.541 8.699 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.471 12.085 8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.785 13.105 7.937 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.874 11.886 2.500 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.425 12.522 1.274 1.00 0.00 C ATOM 1285 C TYR A 79 -6.451 13.545 0.780 1.00 0.00 C ATOM 1286 O TYR A 79 -7.547 13.177 0.359 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.301 11.402 0.239 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.902 10.788 0.152 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.787 11.600 0.208 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.755 9.422 0.018 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.471 11.021 0.127 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -2.439 8.844 -0.063 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.362 9.672 -0.005 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.118 9.126 -0.082 1.00 0.00 O ATOM 0 H TYR A 79 -6.805 11.472 2.450 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.484 13.047 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.017 10.617 0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.576 11.794 -0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.902 12.669 0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.627 8.787 -0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.590 11.644 0.170 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.310 7.777 -0.167 1.00 0.00 H new ATOM 0 HH TYR A 79 0.537 9.830 -0.268 1.00 0.00 H new ATOM 1304 N SER A 80 -6.059 14.808 0.848 1.00 0.00 N ATOM 1305 CA SER A 80 -6.930 15.887 0.413 1.00 0.00 C ATOM 1306 C SER A 80 -6.099 17.017 -0.198 1.00 0.00 C ATOM 1307 O SER A 80 -4.895 17.105 0.038 1.00 0.00 O ATOM 1308 CB SER A 80 -7.774 16.416 1.574 1.00 0.00 C ATOM 1309 OG SER A 80 -7.396 17.737 1.950 1.00 0.00 O ATOM 0 H SER A 80 -5.149 15.109 1.198 1.00 0.00 H new ATOM 0 HA SER A 80 -7.609 15.494 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.827 16.407 1.291 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.669 15.751 2.431 1.00 0.00 H new ATOM 0 HG SER A 80 -7.959 18.039 2.693 1.00 0.00 H new ATOM 1315 N PRO A 81 -6.793 17.876 -0.991 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.217 17.701 -1.219 1.00 0.00 C ATOM 1317 C PRO A 81 -8.480 16.543 -2.184 1.00 0.00 C ATOM 1318 O PRO A 81 -7.744 16.358 -3.152 1.00 0.00 O ATOM 1319 CB PRO A 81 -8.698 19.040 -1.753 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.455 19.764 -2.243 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.242 19.033 -1.691 1.00 0.00 C ATOM 0 HA PRO A 81 -8.758 17.432 -0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.415 18.903 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.202 19.613 -0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.428 19.781 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.461 20.801 -1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.566 18.728 -2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.670 19.669 -1.015 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.531 15.793 -1.886 1.00 0.00 N ATOM 1330 CA VAL A 82 -9.899 14.658 -2.715 1.00 0.00 C ATOM 1331 C VAL A 82 -11.411 14.673 -2.949 1.00 0.00 C ATOM 1332 O VAL A 82 -12.190 14.525 -2.009 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.406 13.359 -2.073 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.125 12.147 -2.669 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -7.889 13.221 -2.212 1.00 0.00 C ATOM 0 H VAL A 82 -10.139 15.949 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.418 14.725 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.642 13.399 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.757 11.237 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.197 12.238 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.934 12.102 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.564 12.290 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.620 13.213 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.401 14.062 -1.719 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.781 14.852 -4.209 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.186 14.888 -4.579 1.00 0.00 C ATOM 1347 C HIS A 83 -13.601 13.531 -5.148 1.00 0.00 C ATOM 1348 O HIS A 83 -12.763 12.775 -5.637 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.465 16.045 -5.540 1.00 0.00 C ATOM 1350 CG HIS A 83 -13.349 17.411 -4.908 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -14.266 18.423 -5.134 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -12.416 17.922 -4.054 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -13.892 19.489 -4.443 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -12.744 19.177 -3.775 1.00 0.00 N ATOM 0 H HIS A 83 -11.132 14.974 -4.986 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.795 15.073 -3.694 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.770 15.983 -6.378 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.469 15.930 -5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.556 17.394 -3.670 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.406 20.439 -4.413 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.224 19.805 -3.162 1.00 0.00 H new ATOM 1362 N ARG A 84 -14.896 13.262 -5.065 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.434 12.008 -5.566 1.00 0.00 C ATOM 1364 C ARG A 84 -15.382 11.982 -7.095 1.00 0.00 C ATOM 1365 O ARG A 84 -15.426 10.913 -7.703 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.879 11.806 -5.108 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.319 10.354 -5.305 1.00 0.00 C ATOM 1368 CD ARG A 84 -17.154 9.551 -4.013 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.737 8.201 -4.178 1.00 0.00 N ATOM 1370 CZ ARG A 84 -19.051 7.956 -4.273 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -19.927 8.968 -4.218 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -19.488 6.698 -4.422 1.00 0.00 N ATOM 0 H ARG A 84 -15.588 13.891 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.822 11.200 -5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -16.972 12.079 -4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.538 12.469 -5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.361 10.326 -5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.730 9.896 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.097 9.471 -3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.643 10.069 -3.188 1.00 0.00 H new ATOM 0 HE ARG A 84 -17.098 7.407 -4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -19.594 9.925 -4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -20.927 8.781 -4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.821 5.928 -4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -20.488 6.511 -4.494 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.290 13.171 -7.673 1.00 0.00 N ATOM 1387 CA ARG A 85 -15.232 13.297 -9.119 1.00 0.00 C ATOM 1388 C ARG A 85 -13.784 13.200 -9.603 1.00 0.00 C ATOM 1389 O ARG A 85 -13.534 13.062 -10.800 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.829 14.629 -9.580 1.00 0.00 C ATOM 1391 CG ARG A 85 -14.899 15.794 -9.236 1.00 0.00 C ATOM 1392 CD ARG A 85 -14.392 16.484 -10.504 1.00 0.00 C ATOM 1393 NE ARG A 85 -13.061 17.082 -10.258 1.00 0.00 N ATOM 1394 CZ ARG A 85 -12.849 18.140 -9.463 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -13.878 18.722 -8.832 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -11.607 18.615 -9.297 1.00 0.00 N ATOM 0 H ARG A 85 -15.254 14.055 -7.166 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.816 12.482 -9.547 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -16.001 14.602 -10.656 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.799 14.781 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.428 16.515 -8.612 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.053 15.429 -8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.331 15.764 -11.320 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.095 17.257 -10.813 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.255 16.663 -10.722 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.823 18.360 -8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -13.716 19.527 -8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.823 18.171 -9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.446 19.420 -8.692 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.869 13.276 -8.649 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.452 13.199 -8.963 1.00 0.00 C ATOM 1412 C GLU A 86 -10.968 11.750 -8.876 1.00 0.00 C ATOM 1413 O GLU A 86 -9.810 11.460 -9.174 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.636 14.106 -8.040 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.811 15.577 -8.422 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.505 16.163 -8.962 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -9.159 15.814 -10.111 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -8.883 16.947 -8.213 1.00 0.00 O ATOM 0 H GLU A 86 -13.081 13.390 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.306 13.550 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.949 13.955 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.582 13.835 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.594 15.670 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.136 16.146 -7.551 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.878 10.879 -8.465 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.558 9.468 -8.335 1.00 0.00 C ATOM 1427 C PHE A 87 -11.216 8.855 -9.695 1.00 0.00 C ATOM 1428 O PHE A 87 -10.268 8.080 -9.810 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.803 8.776 -7.776 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.945 8.884 -6.256 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -12.181 9.770 -5.563 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.836 8.094 -5.599 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.314 9.870 -4.153 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.968 8.194 -4.189 1.00 0.00 C ATOM 1435 CZ PHE A 87 -13.204 9.080 -3.495 1.00 0.00 C ATOM 0 H PHE A 87 -12.837 11.123 -8.218 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.694 9.342 -7.682 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.687 9.207 -8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.776 7.722 -8.054 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.473 10.397 -6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.443 7.391 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.708 10.574 -3.603 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.675 7.566 -3.667 1.00 0.00 H new ATOM 0 HZ PHE A 87 -13.304 9.156 -2.422 1.00 0.00 H new ATOM 1445 N ARG A 88 -12.007 9.226 -10.691 1.00 0.00 N ATOM 1446 CA ARG A 88 -11.801 8.723 -12.038 1.00 0.00 C ATOM 1447 C ARG A 88 -10.646 9.467 -12.711 1.00 0.00 C ATOM 1448 O ARG A 88 -10.331 9.212 -13.872 1.00 0.00 O ATOM 1449 CB ARG A 88 -13.064 8.883 -12.886 1.00 0.00 C ATOM 1450 CG ARG A 88 -13.693 10.263 -12.677 1.00 0.00 C ATOM 1451 CD ARG A 88 -14.548 10.663 -13.881 1.00 0.00 C ATOM 1452 NE ARG A 88 -14.456 12.123 -14.105 1.00 0.00 N ATOM 1453 CZ ARG A 88 -15.162 12.788 -15.029 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -16.017 12.127 -15.823 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -15.014 14.113 -15.161 1.00 0.00 N ATOM 0 H ARG A 88 -12.792 9.869 -10.592 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.561 7.663 -11.962 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.819 8.747 -13.939 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.784 8.108 -12.623 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.308 10.254 -11.777 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.909 11.004 -12.521 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.212 10.129 -14.770 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.586 10.378 -13.711 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.814 12.657 -13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.130 11.118 -15.723 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.555 12.633 -16.527 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.363 14.616 -14.558 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.552 14.619 -15.865 1.00 0.00 H new ATOM 1469 N GLU A 89 -10.045 10.373 -11.952 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.932 11.156 -12.461 1.00 0.00 C ATOM 1471 C GLU A 89 -7.696 10.955 -11.581 1.00 0.00 C ATOM 1472 O GLU A 89 -6.639 11.524 -11.850 1.00 0.00 O ATOM 1473 CB GLU A 89 -9.302 12.637 -12.557 1.00 0.00 C ATOM 1474 CG GLU A 89 -10.662 12.820 -13.234 1.00 0.00 C ATOM 1475 CD GLU A 89 -10.967 14.302 -13.459 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -11.003 15.035 -12.447 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -11.158 14.669 -14.639 1.00 0.00 O ATOM 0 H GLU A 89 -10.308 10.582 -10.989 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.698 10.808 -13.467 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.327 13.075 -11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.537 13.171 -13.120 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.671 12.294 -14.189 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.442 12.374 -12.617 1.00 0.00 H new ATOM 1484 N ARG A 90 -7.870 10.144 -10.548 1.00 0.00 N ATOM 1485 CA ARG A 90 -6.783 9.862 -9.627 1.00 0.00 C ATOM 1486 C ARG A 90 -6.920 8.446 -9.062 1.00 0.00 C ATOM 1487 O ARG A 90 -7.999 8.050 -8.626 1.00 0.00 O ATOM 1488 CB ARG A 90 -6.764 10.865 -8.472 1.00 0.00 C ATOM 1489 CG ARG A 90 -5.740 11.973 -8.724 1.00 0.00 C ATOM 1490 CD ARG A 90 -6.430 13.327 -8.899 1.00 0.00 C ATOM 1491 NE ARG A 90 -5.716 14.363 -8.120 1.00 0.00 N ATOM 1492 CZ ARG A 90 -4.575 14.946 -8.514 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -4.012 14.598 -9.679 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -3.997 15.877 -7.742 1.00 0.00 N ATOM 0 H ARG A 90 -8.748 9.673 -10.329 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.849 9.947 -10.182 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.755 11.302 -8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.525 10.349 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.040 12.023 -7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.158 11.739 -9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.448 13.601 -9.954 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.467 13.262 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.117 14.651 -7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.452 13.889 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.144 15.042 -9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.425 16.142 -6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.129 16.321 -8.042 1.00 0.00 H new ATOM 1508 N MET A 91 -5.810 7.723 -9.089 1.00 0.00 N ATOM 1509 CA MET A 91 -5.793 6.360 -8.586 1.00 0.00 C ATOM 1510 C MET A 91 -4.643 6.155 -7.598 1.00 0.00 C ATOM 1511 O MET A 91 -3.640 6.866 -7.651 1.00 0.00 O ATOM 1512 CB MET A 91 -5.641 5.385 -9.755 1.00 0.00 C ATOM 1513 CG MET A 91 -4.688 4.243 -9.397 1.00 0.00 C ATOM 1514 SD MET A 91 -4.608 3.071 -10.740 1.00 0.00 S ATOM 1515 CE MET A 91 -4.945 1.559 -9.854 1.00 0.00 C ATOM 0 H MET A 91 -4.916 8.055 -9.451 1.00 0.00 H new ATOM 0 HA MET A 91 -6.733 6.173 -8.066 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.616 4.979 -10.023 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.265 5.916 -10.630 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.694 4.639 -9.190 1.00 0.00 H new ATOM 0 HG3 MET A 91 -5.028 3.745 -8.489 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.675 0.705 -10.475 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.360 1.538 -8.934 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.006 1.509 -9.610 1.00 0.00 H new ATOM 1525 N LEU A 92 -4.826 5.180 -6.719 1.00 0.00 N ATOM 1526 CA LEU A 92 -3.816 4.873 -5.721 1.00 0.00 C ATOM 1527 C LEU A 92 -2.930 3.735 -6.231 1.00 0.00 C ATOM 1528 O LEU A 92 -3.369 2.916 -7.038 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.470 4.584 -4.368 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.919 5.806 -3.565 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -3.830 6.250 -2.587 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -5.354 6.942 -4.493 1.00 0.00 C ATOM 0 H LEU A 92 -5.659 4.593 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.168 5.734 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.337 3.945 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.767 4.014 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.789 5.524 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.175 7.120 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.611 5.438 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.927 6.508 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.668 7.799 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.519 7.231 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.185 6.607 -5.113 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.700 3.720 -5.740 1.00 0.00 N ATOM 1545 CA GLU A 93 -0.748 2.695 -6.137 1.00 0.00 C ATOM 1546 C GLU A 93 0.046 2.210 -4.922 1.00 0.00 C ATOM 1547 O GLU A 93 1.081 2.782 -4.585 1.00 0.00 O ATOM 1548 CB GLU A 93 0.186 3.210 -7.233 1.00 0.00 C ATOM 1549 CG GLU A 93 1.444 2.345 -7.332 1.00 0.00 C ATOM 1550 CD GLU A 93 2.221 2.651 -8.615 1.00 0.00 C ATOM 1551 OE1 GLU A 93 1.566 2.692 -9.679 1.00 0.00 O ATOM 1552 OE2 GLU A 93 3.452 2.837 -8.502 1.00 0.00 O ATOM 0 H GLU A 93 -1.340 4.401 -5.071 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.302 1.850 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.336 3.210 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.466 4.242 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.081 2.523 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.167 1.291 -7.313 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.469 1.160 -4.299 1.00 0.00 N ATOM 1560 CA ILE A 94 0.179 0.592 -3.130 1.00 0.00 C ATOM 1561 C ILE A 94 1.226 -0.429 -3.578 1.00 0.00 C ATOM 1562 O ILE A 94 0.990 -1.198 -4.510 1.00 0.00 O ATOM 1563 CB ILE A 94 -0.862 0.022 -2.164 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -1.927 1.067 -1.826 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.194 -0.543 -0.909 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.148 0.920 -2.737 1.00 0.00 C ATOM 0 H ILE A 94 -1.328 0.688 -4.582 1.00 0.00 H new ATOM 0 HA ILE A 94 0.706 1.366 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.370 -0.806 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.231 0.959 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.507 2.067 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.956 -0.942 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.494 -1.340 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.356 0.249 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.890 1.675 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.845 1.053 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.580 -0.073 -2.609 1.00 0.00 H new ATOM 1578 N THR A 95 2.361 -0.405 -2.895 1.00 0.00 N ATOM 1579 CA THR A 95 3.445 -1.319 -3.211 1.00 0.00 C ATOM 1580 C THR A 95 3.991 -1.961 -1.934 1.00 0.00 C ATOM 1581 O THR A 95 4.045 -1.319 -0.887 1.00 0.00 O ATOM 1582 CB THR A 95 4.501 -0.544 -4.002 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.446 0.771 -3.458 1.00 0.00 O ATOM 1584 CG2 THR A 95 4.113 -0.357 -5.470 1.00 0.00 C ATOM 0 H THR A 95 2.553 0.234 -2.123 1.00 0.00 H new ATOM 0 HA THR A 95 3.097 -2.146 -3.830 1.00 0.00 H new ATOM 0 HB THR A 95 5.455 -1.068 -3.943 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.227 0.721 -2.504 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.896 0.199 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.990 -1.332 -5.941 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.176 0.196 -5.531 1.00 0.00 H new ATOM 1592 N LEU A 96 4.383 -3.220 -2.064 1.00 0.00 N ATOM 1593 CA LEU A 96 4.924 -3.956 -0.934 1.00 0.00 C ATOM 1594 C LEU A 96 6.326 -4.459 -1.282 1.00 0.00 C ATOM 1595 O LEU A 96 6.538 -5.026 -2.353 1.00 0.00 O ATOM 1596 CB LEU A 96 3.960 -5.065 -0.506 1.00 0.00 C ATOM 1597 CG LEU A 96 4.281 -5.758 0.819 1.00 0.00 C ATOM 1598 CD1 LEU A 96 4.372 -4.744 1.961 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.270 -6.867 1.117 1.00 0.00 C ATOM 0 H LEU A 96 4.337 -3.749 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 96 5.026 -3.303 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.958 -4.642 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.935 -5.820 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 96 5.259 -6.230 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.601 -5.263 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.160 -4.022 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.420 -4.223 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.521 -7.343 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.269 -6.440 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.298 -7.609 0.319 1.00 0.00 H new ATOM 1611 N TRP A 97 7.247 -4.235 -0.356 1.00 0.00 N ATOM 1612 CA TRP A 97 8.623 -4.659 -0.552 1.00 0.00 C ATOM 1613 C TRP A 97 9.145 -5.199 0.781 1.00 0.00 C ATOM 1614 O TRP A 97 8.416 -5.230 1.771 1.00 0.00 O ATOM 1615 CB TRP A 97 9.475 -3.517 -1.109 1.00 0.00 C ATOM 1616 CG TRP A 97 8.682 -2.484 -1.912 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.776 -1.606 -1.461 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.761 -2.256 -3.335 1.00 0.00 C ATOM 1619 NE1 TRP A 97 7.268 -0.832 -2.484 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.886 -1.240 -3.660 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.546 -2.888 -4.316 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.713 -0.765 -4.966 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 9.362 -2.402 -5.616 1.00 0.00 C ATOM 1624 CH2 TRP A 97 8.485 -1.380 -5.959 1.00 0.00 C ATOM 0 H TRP A 97 7.067 -3.766 0.532 1.00 0.00 H new ATOM 0 HA TRP A 97 8.680 -5.453 -1.296 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.975 -3.013 -0.282 1.00 0.00 H new ATOM 0 HB3 TRP A 97 10.255 -3.936 -1.745 1.00 0.00 H new ATOM 0 HD1 TRP A 97 7.480 -1.515 -0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.568 -0.096 -2.394 1.00 0.00 H new ATOM 0 HE3 TRP A 97 10.236 -3.686 -4.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 7.022 0.032 -5.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 9.942 -2.853 -6.408 1.00 0.00 H new ATOM 0 HH2 TRP A 97 8.399 -1.061 -6.987 1.00 0.00 H new ATOM 1635 N ASP A 98 10.404 -5.611 0.764 1.00 0.00 N ATOM 1636 CA ASP A 98 11.033 -6.148 1.959 1.00 0.00 C ATOM 1637 C ASP A 98 12.394 -5.479 2.159 1.00 0.00 C ATOM 1638 O ASP A 98 13.299 -5.649 1.343 1.00 0.00 O ATOM 1639 CB ASP A 98 11.262 -7.655 1.831 1.00 0.00 C ATOM 1640 CG ASP A 98 12.457 -8.197 2.617 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.783 -7.578 3.653 1.00 0.00 O ATOM 1642 OD2 ASP A 98 13.019 -9.218 2.164 1.00 0.00 O ATOM 0 H ASP A 98 11.006 -5.584 -0.059 1.00 0.00 H new ATOM 0 HA ASP A 98 10.372 -5.954 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.363 -8.173 2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.399 -7.898 0.777 1.00 0.00 H new ATOM 1647 N GLN A 99 12.496 -4.731 3.248 1.00 0.00 N ATOM 1648 CA GLN A 99 13.731 -4.036 3.565 1.00 0.00 C ATOM 1649 C GLN A 99 14.873 -5.038 3.750 1.00 0.00 C ATOM 1650 O GLN A 99 14.962 -5.698 4.784 1.00 0.00 O ATOM 1651 CB GLN A 99 13.564 -3.160 4.809 1.00 0.00 C ATOM 1652 CG GLN A 99 14.161 -1.769 4.585 1.00 0.00 C ATOM 1653 CD GLN A 99 15.436 -1.580 5.410 1.00 0.00 C ATOM 1654 OE1 GLN A 99 16.040 -2.524 5.890 1.00 0.00 O ATOM 1655 NE2 GLN A 99 15.808 -0.311 5.546 1.00 0.00 N ATOM 0 H GLN A 99 11.743 -4.591 3.922 1.00 0.00 H new ATOM 0 HA GLN A 99 13.980 -3.381 2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.506 -3.070 5.055 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.050 -3.635 5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.384 -1.631 3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.431 -1.008 4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.255 0.431 5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.646 -0.080 6.079 1.00 0.00 H new ATOM 1809 N PHE A 109 10.536 -6.967 -4.927 1.00 0.00 N ATOM 1810 CA PHE A 109 9.150 -6.573 -5.118 1.00 0.00 C ATOM 1811 C PHE A 109 8.204 -7.742 -4.835 1.00 0.00 C ATOM 1812 O PHE A 109 8.022 -8.617 -5.681 1.00 0.00 O ATOM 1813 CB PHE A 109 9.002 -6.156 -6.583 1.00 0.00 C ATOM 1814 CG PHE A 109 7.580 -5.750 -6.973 1.00 0.00 C ATOM 1815 CD1 PHE A 109 7.037 -4.607 -6.474 1.00 0.00 C ATOM 1816 CD2 PHE A 109 6.858 -6.532 -7.820 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.717 -4.230 -6.836 1.00 0.00 C ATOM 1818 CE2 PHE A 109 5.537 -6.155 -8.182 1.00 0.00 C ATOM 1819 CZ PHE A 109 4.995 -5.012 -7.683 1.00 0.00 C ATOM 0 HA PHE A 109 8.896 -5.762 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.675 -5.322 -6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.321 -6.982 -7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.610 -3.986 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.289 -7.439 -8.217 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.286 -3.323 -6.439 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.963 -6.776 -8.854 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.991 -4.725 -7.959 1.00 0.00 H new ATOM 1829 N LEU A 110 7.627 -7.719 -3.643 1.00 0.00 N ATOM 1830 CA LEU A 110 6.704 -8.766 -3.238 1.00 0.00 C ATOM 1831 C LEU A 110 5.421 -8.657 -4.065 1.00 0.00 C ATOM 1832 O LEU A 110 4.768 -9.662 -4.340 1.00 0.00 O ATOM 1833 CB LEU A 110 6.469 -8.718 -1.727 1.00 0.00 C ATOM 1834 CG LEU A 110 7.724 -8.704 -0.853 1.00 0.00 C ATOM 1835 CD1 LEU A 110 7.396 -8.245 0.569 1.00 0.00 C ATOM 1836 CD2 LEU A 110 8.419 -10.067 -0.869 1.00 0.00 C ATOM 0 H LEU A 110 7.781 -6.992 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 110 7.130 -9.749 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.882 -7.829 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.864 -9.580 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 110 8.424 -7.981 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.305 -8.244 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.980 -7.238 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.669 -8.925 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.308 -10.029 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.737 -10.828 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.707 -10.316 -1.890 1.00 0.00 H new ATOM 1848 N GLY A 111 5.098 -7.427 -4.437 1.00 0.00 N ATOM 1849 CA GLY A 111 3.905 -7.173 -5.226 1.00 0.00 C ATOM 1850 C GLY A 111 3.248 -5.853 -4.818 1.00 0.00 C ATOM 1851 O GLY A 111 3.379 -5.418 -3.675 1.00 0.00 O ATOM 0 H GLY A 111 5.642 -6.596 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.164 -7.142 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.197 -7.991 -5.095 1.00 0.00 H new ATOM 1855 N GLU A 112 2.555 -5.253 -5.775 1.00 0.00 N ATOM 1856 CA GLU A 112 1.878 -3.991 -5.529 1.00 0.00 C ATOM 1857 C GLU A 112 0.362 -4.174 -5.630 1.00 0.00 C ATOM 1858 O GLU A 112 -0.115 -5.042 -6.360 1.00 0.00 O ATOM 1859 CB GLU A 112 2.365 -2.910 -6.495 1.00 0.00 C ATOM 1860 CG GLU A 112 1.416 -2.772 -7.688 1.00 0.00 C ATOM 1861 CD GLU A 112 2.172 -2.327 -8.941 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.232 -2.934 -9.210 1.00 0.00 O ATOM 1863 OE2 GLU A 112 1.674 -1.391 -9.602 1.00 0.00 O ATOM 0 H GLU A 112 2.448 -5.617 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 112 2.119 -3.663 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.438 -1.956 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.366 -3.158 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.922 -3.725 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.635 -2.049 -7.454 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.353 -3.343 -4.887 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.805 -3.402 -4.884 1.00 0.00 C ATOM 1872 C ILE A 113 -2.367 -2.052 -5.333 1.00 0.00 C ATOM 1873 O ILE A 113 -2.414 -1.104 -4.550 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.320 -3.859 -3.518 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.794 -5.254 -3.172 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.847 -3.791 -3.456 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.239 -5.676 -1.770 1.00 0.00 C ATOM 0 H ILE A 113 0.046 -2.625 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.157 -4.147 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.937 -3.173 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.156 -5.975 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.706 -5.261 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.186 -4.121 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.173 -2.765 -3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.271 -4.438 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.852 -6.671 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.855 -4.966 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.328 -5.692 -1.723 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.781 -2.007 -6.591 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.338 -0.789 -7.153 1.00 0.00 C ATOM 1891 C LEU A 114 -4.856 -0.793 -6.963 1.00 0.00 C ATOM 1892 O LEU A 114 -5.487 -1.849 -6.993 1.00 0.00 O ATOM 1893 CB LEU A 114 -2.901 -0.622 -8.609 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.886 0.490 -8.882 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -0.481 0.069 -8.445 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -1.925 0.921 -10.349 1.00 0.00 C ATOM 0 H LEU A 114 -2.742 -2.795 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.953 0.084 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.476 -1.566 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.788 -0.434 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.163 1.359 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.221 0.877 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.482 -0.149 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.180 -0.822 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.194 1.712 -10.515 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.688 0.068 -10.985 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.921 1.290 -10.593 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.400 0.400 -6.772 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.832 0.548 -6.578 1.00 0.00 C ATOM 1910 C ILE A 115 -7.308 1.824 -7.274 1.00 0.00 C ATOM 1911 O ILE A 115 -6.633 2.851 -7.224 1.00 0.00 O ATOM 1912 CB ILE A 115 -7.179 0.494 -5.088 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -7.017 -0.925 -4.539 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.580 1.052 -4.831 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -5.828 -1.009 -3.580 1.00 0.00 C ATOM 0 H ILE A 115 -4.874 1.274 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.366 -0.284 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.476 1.130 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.928 -1.225 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.874 -1.624 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.802 1.002 -3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.625 2.089 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.313 0.463 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.735 -2.028 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -4.915 -0.732 -4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.986 -0.327 -2.744 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.467 1.718 -7.907 1.00 0.00 N ATOM 1928 CA GLU A 116 -9.042 2.851 -8.613 1.00 0.00 C ATOM 1929 C GLU A 116 -10.128 3.511 -7.761 1.00 0.00 C ATOM 1930 O GLU A 116 -11.205 2.947 -7.575 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.595 2.425 -9.974 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.616 1.501 -10.700 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.978 1.371 -12.181 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -8.800 2.379 -12.899 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -9.426 0.268 -12.561 1.00 0.00 O ATOM 0 H GLU A 116 -9.024 0.864 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.254 3.582 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.549 1.916 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.788 3.307 -10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.603 1.891 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.625 0.517 -10.232 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.807 4.698 -7.266 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.742 5.441 -6.439 1.00 0.00 C ATOM 1944 C LEU A 117 -12.125 5.418 -7.093 1.00 0.00 C ATOM 1945 O LEU A 117 -13.143 5.466 -6.404 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.213 6.851 -6.167 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.724 6.956 -5.832 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.383 8.341 -5.279 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.296 5.837 -4.880 1.00 0.00 C ATOM 0 H LEU A 117 -8.913 5.163 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.844 4.970 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.412 7.468 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.782 7.278 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.156 6.829 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.319 8.389 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.628 9.100 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.959 8.522 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.233 5.935 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.868 5.908 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.481 4.870 -5.348 1.00 0.00 H new ATOM 1961 N GLU A 118 -12.117 5.346 -8.416 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.358 5.316 -9.171 1.00 0.00 C ATOM 1963 C GLU A 118 -14.197 4.102 -8.766 1.00 0.00 C ATOM 1964 O GLU A 118 -15.402 4.222 -8.545 1.00 0.00 O ATOM 1965 CB GLU A 118 -13.085 5.315 -10.676 1.00 0.00 C ATOM 1966 CG GLU A 118 -14.340 5.699 -11.462 1.00 0.00 C ATOM 1967 CD GLU A 118 -14.189 5.347 -12.943 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -13.482 4.354 -13.221 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -14.784 6.078 -13.764 1.00 0.00 O ATOM 0 H GLU A 118 -11.271 5.308 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.923 6.218 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.281 6.015 -10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.745 4.327 -10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.205 5.181 -11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.527 6.768 -11.356 1.00 0.00 H new ATOM 1976 N THR A 119 -13.528 2.962 -8.681 1.00 0.00 N ATOM 1977 CA THR A 119 -14.197 1.728 -8.306 1.00 0.00 C ATOM 1978 C THR A 119 -13.714 1.255 -6.934 1.00 0.00 C ATOM 1979 O THR A 119 -13.820 0.074 -6.607 1.00 0.00 O ATOM 1980 CB THR A 119 -13.960 0.705 -9.419 1.00 0.00 C ATOM 1981 OG1 THR A 119 -12.548 0.519 -9.424 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.267 1.270 -10.808 1.00 0.00 C ATOM 0 H THR A 119 -12.529 2.867 -8.865 1.00 0.00 H new ATOM 0 HA THR A 119 -15.272 1.876 -8.204 1.00 0.00 H new ATOM 0 HB THR A 119 -14.577 -0.175 -9.241 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.306 -0.131 -10.116 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.082 0.504 -11.561 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.311 1.579 -10.853 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.626 2.130 -11.001 1.00 0.00 H new ATOM 1990 N ALA A 120 -13.193 2.202 -6.166 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.693 1.896 -4.837 1.00 0.00 C ATOM 1992 C ALA A 120 -13.872 1.775 -3.869 1.00 0.00 C ATOM 1993 O ALA A 120 -14.598 2.743 -3.645 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.695 2.973 -4.407 1.00 0.00 C ATOM 0 H ALA A 120 -13.107 3.181 -6.439 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.165 0.942 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.320 2.744 -3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.863 3.000 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.190 3.944 -4.394 1.00 0.00 H new ATOM 2000 N LEU A 121 -14.026 0.579 -3.321 1.00 0.00 N ATOM 2001 CA LEU A 121 -15.105 0.319 -2.383 1.00 0.00 C ATOM 2002 C LEU A 121 -14.770 0.964 -1.036 1.00 0.00 C ATOM 2003 O LEU A 121 -14.201 0.317 -0.158 1.00 0.00 O ATOM 2004 CB LEU A 121 -15.386 -1.183 -2.292 1.00 0.00 C ATOM 2005 CG LEU A 121 -14.166 -2.101 -2.395 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -13.028 -1.602 -1.504 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -14.544 -3.551 -2.086 1.00 0.00 C ATOM 0 H LEU A 121 -13.422 -0.221 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.032 0.773 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.887 -1.382 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.085 -1.450 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.804 -2.075 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.173 -2.272 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.737 -0.598 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -13.361 -1.579 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -13.659 -4.183 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -14.945 -3.615 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.297 -3.890 -2.797 1.00 0.00 H new ATOM 2019 N LEU A 122 -15.137 2.231 -0.916 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.883 2.971 0.309 1.00 0.00 C ATOM 2021 C LEU A 122 -16.063 2.786 1.265 1.00 0.00 C ATOM 2022 O LEU A 122 -17.209 3.038 0.898 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.569 4.435 -0.005 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.494 4.678 -1.066 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -13.992 5.648 -2.140 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -12.189 5.154 -0.425 1.00 0.00 C ATOM 0 H LEU A 122 -15.608 2.764 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.999 2.581 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.489 4.921 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -14.258 4.925 0.918 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.283 3.730 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -13.208 5.803 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -14.874 5.231 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -14.249 6.601 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.442 5.319 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.366 6.086 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -11.828 4.397 0.271 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.741 2.347 2.473 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.760 2.126 3.485 1.00 0.00 C ATOM 2040 C ASP A 123 -16.103 1.572 4.751 1.00 0.00 C ATOM 2041 O ASP A 123 -16.662 0.699 5.413 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.798 1.109 3.008 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.211 1.323 3.555 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.354 2.205 4.429 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -20.117 0.600 3.086 1.00 0.00 O ATOM 0 H ASP A 123 -14.789 2.138 2.774 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.252 3.078 3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.838 1.137 1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.463 0.111 3.290 1.00 0.00 H new ATOM 2050 N ASP A 124 -14.926 2.102 5.049 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.187 1.672 6.224 1.00 0.00 C ATOM 2052 C ASP A 124 -14.308 0.153 6.369 1.00 0.00 C ATOM 2053 O ASP A 124 -14.453 -0.359 7.478 1.00 0.00 O ATOM 2054 CB ASP A 124 -14.750 2.313 7.494 1.00 0.00 C ATOM 2055 CG ASP A 124 -13.907 2.101 8.754 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -12.710 2.454 8.702 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -14.481 1.590 9.740 1.00 0.00 O ATOM 0 H ASP A 124 -14.466 2.826 4.497 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.147 1.974 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -14.860 3.384 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -15.749 1.915 7.672 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.243 -0.524 5.232 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.343 -1.974 5.218 1.00 0.00 C ATOM 2064 C GLU A 125 -13.001 -2.594 4.824 1.00 0.00 C ATOM 2065 O GLU A 125 -12.485 -2.329 3.739 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.458 -2.438 4.279 1.00 0.00 C ATOM 2067 CG GLU A 125 -16.795 -2.528 5.019 1.00 0.00 C ATOM 2068 CD GLU A 125 -17.968 -2.494 4.037 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -17.747 -2.895 2.874 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -19.059 -2.068 4.472 1.00 0.00 O ATOM 0 H GLU A 125 -14.122 -0.096 4.314 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.596 -2.311 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.547 -1.744 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.204 -3.412 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.831 -3.448 5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.881 -1.701 5.723 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.460 -3.431 5.750 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.188 -4.091 5.510 1.00 0.00 C ATOM 2079 C PRO A 126 -11.347 -5.242 4.514 1.00 0.00 C ATOM 2080 O PRO A 126 -12.133 -6.160 4.741 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.720 -4.553 6.880 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.955 -4.547 7.767 1.00 0.00 C ATOM 2083 CD PRO A 126 -13.043 -3.768 7.045 1.00 0.00 C ATOM 0 HA PRO A 126 -10.451 -3.430 5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.282 -5.550 6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.952 -3.888 7.275 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.285 -5.566 7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.731 -4.088 8.730 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.947 -4.366 6.929 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.322 -2.872 7.599 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.589 -5.153 3.431 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.636 -6.175 2.399 1.00 0.00 C ATOM 2093 C HIS A 127 -9.223 -6.694 2.126 1.00 0.00 C ATOM 2094 O HIS A 127 -8.261 -5.927 2.145 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.327 -5.645 1.141 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.830 -5.784 1.161 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -13.647 -4.981 1.937 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -13.655 -6.640 0.492 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -14.905 -5.346 1.737 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -14.908 -6.375 0.842 1.00 0.00 N ATOM 0 H HIS A 127 -9.939 -4.389 3.246 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.235 -7.018 2.744 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.071 -4.593 1.014 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -10.935 -6.175 0.273 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -13.342 -7.404 -0.204 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -15.775 -4.906 2.201 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -15.736 -6.861 0.498 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.141 -7.993 1.877 1.00 0.00 N ATOM 2109 CA TRP A 128 -7.862 -8.623 1.601 1.00 0.00 C ATOM 2110 C TRP A 128 -7.649 -8.616 0.085 1.00 0.00 C ATOM 2111 O TRP A 128 -8.293 -9.375 -0.638 1.00 0.00 O ATOM 2112 CB TRP A 128 -7.799 -10.026 2.207 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.888 -10.049 3.734 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.970 -10.269 4.494 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.804 -9.833 4.662 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.663 -10.211 5.839 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -7.305 -9.937 5.944 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.446 -9.558 4.426 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -6.516 -9.782 7.090 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.671 -9.405 5.582 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -5.159 -9.507 6.879 1.00 0.00 C ATOM 0 H TRP A 128 -9.940 -8.626 1.861 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.050 -8.068 2.070 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.612 -10.625 1.797 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -6.867 -10.502 1.900 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.957 -10.467 4.104 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -9.314 -10.345 6.613 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.033 -9.472 3.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.931 -9.870 8.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.620 -9.193 5.457 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.495 -9.375 7.720 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.744 -7.752 -0.350 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.439 -7.637 -1.765 1.00 0.00 C ATOM 2134 C TYR A 129 -5.218 -8.482 -2.134 1.00 0.00 C ATOM 2135 O TYR A 129 -4.206 -8.453 -1.436 1.00 0.00 O ATOM 2136 CB TYR A 129 -6.116 -6.161 -2.009 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.239 -5.203 -1.606 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.465 -5.274 -2.234 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -7.025 -4.268 -0.613 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.522 -4.373 -1.855 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.081 -3.366 -0.234 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.278 -3.463 -0.874 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.276 -2.612 -0.516 1.00 0.00 O ATOM 0 H TYR A 129 -6.212 -7.125 0.253 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.278 -7.986 -2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.214 -5.901 -1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.893 -6.019 -3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.632 -6.006 -3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.065 -4.213 -0.121 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.487 -4.419 -2.339 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.927 -2.629 0.540 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.960 -2.019 0.197 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.354 -9.215 -3.229 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.275 -10.066 -3.699 1.00 0.00 C ATOM 2155 C LYS A 130 -3.193 -9.201 -4.348 1.00 0.00 C ATOM 2156 O LYS A 130 -3.499 -8.201 -4.996 1.00 0.00 O ATOM 2157 CB LYS A 130 -4.818 -11.163 -4.617 1.00 0.00 C ATOM 2158 CG LYS A 130 -4.894 -12.504 -3.884 1.00 0.00 C ATOM 2159 CD LYS A 130 -5.532 -13.577 -4.769 1.00 0.00 C ATOM 2160 CE LYS A 130 -6.714 -14.240 -4.061 1.00 0.00 C ATOM 2161 NZ LYS A 130 -7.287 -15.314 -4.903 1.00 0.00 N ATOM 0 H LYS A 130 -6.196 -9.237 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.808 -10.585 -2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.809 -10.884 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.177 -11.259 -5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -3.893 -12.819 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.475 -12.390 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -5.868 -13.129 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -4.788 -14.331 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.388 -14.653 -3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.479 -13.495 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.089 -15.754 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -7.616 -14.911 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -6.560 -16.033 -5.091 1.00 0.00 H new ATOM 2175 N LEU A 131 -1.950 -9.616 -4.151 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.822 -8.891 -4.710 1.00 0.00 C ATOM 2177 C LEU A 131 -0.487 -9.461 -6.089 1.00 0.00 C ATOM 2178 O LEU A 131 -0.710 -10.643 -6.347 1.00 0.00 O ATOM 2179 CB LEU A 131 0.358 -8.904 -3.736 1.00 0.00 C ATOM 2180 CG LEU A 131 0.176 -8.095 -2.450 1.00 0.00 C ATOM 2181 CD1 LEU A 131 0.383 -8.974 -1.215 1.00 0.00 C ATOM 2182 CD2 LEU A 131 1.089 -6.868 -2.440 1.00 0.00 C ATOM 0 H LEU A 131 -1.700 -10.445 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.077 -7.841 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.568 -9.939 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.238 -8.527 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.851 -7.732 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.248 -8.374 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.343 -9.787 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.391 -9.387 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.940 -6.311 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.129 -7.188 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.850 -6.230 -3.291 1.00 0.00 H new ATOM 2194 N GLN A 132 0.043 -8.594 -6.940 1.00 0.00 N ATOM 2195 CA GLN A 132 0.411 -8.997 -8.287 1.00 0.00 C ATOM 2196 C GLN A 132 1.910 -8.790 -8.512 1.00 0.00 C ATOM 2197 O GLN A 132 2.485 -7.815 -8.029 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.411 -8.237 -9.330 1.00 0.00 C ATOM 2199 CG GLN A 132 -0.080 -6.743 -9.306 1.00 0.00 C ATOM 2200 CD GLN A 132 -1.104 -5.942 -10.113 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -2.241 -6.345 -10.295 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -0.639 -4.789 -10.584 1.00 0.00 N ATOM 0 H GLN A 132 0.226 -7.614 -6.723 1.00 0.00 H new ATOM 0 HA GLN A 132 0.190 -10.058 -8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.210 -8.642 -10.322 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.474 -8.381 -9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -0.064 -6.387 -8.276 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.917 -6.581 -9.715 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.324 -4.512 -10.394 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -1.245 -4.181 -11.135 1.00 0.00 H new