USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 405 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 164 LYS NZ :NH3+ -118:sc= -0.848 (180deg=-2.01!) USER MOD Set 1.2: A 189 LYS NZ :NH3+ -122:sc= 1.54 (180deg=0.302) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= -0.0122 K(o=-0.012,f=-3.3!) USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 175 SER OG : rot 180:sc= 0.00184 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 136 -1.716 -1.567 -1.551 1.00 0.00 N ATOM 20 CA TYR A 136 -2.904 -2.386 -1.376 1.00 0.00 C ATOM 21 C TYR A 136 -4.145 -1.515 -1.166 1.00 0.00 C ATOM 22 O TYR A 136 -4.035 -0.300 -1.010 1.00 0.00 O ATOM 23 CB TYR A 136 -2.661 -3.216 -0.114 1.00 0.00 C ATOM 24 CG TYR A 136 -1.281 -3.877 -0.060 1.00 0.00 C ATOM 25 CD1 TYR A 136 -0.805 -4.570 -1.155 1.00 0.00 C ATOM 26 CD2 TYR A 136 -0.513 -3.778 1.081 1.00 0.00 C ATOM 27 CE1 TYR A 136 0.493 -5.191 -1.104 1.00 0.00 C ATOM 28 CE2 TYR A 136 0.785 -4.399 1.132 1.00 0.00 C ATOM 29 CZ TYR A 136 1.225 -5.074 0.037 1.00 0.00 C ATOM 30 OH TYR A 136 2.451 -5.661 0.085 1.00 0.00 O ATOM 0 HA TYR A 136 -3.077 -3.004 -2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 136 -2.780 -2.574 0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 136 -3.426 -3.990 -0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 136 -1.406 -4.646 -2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 136 -0.885 -3.234 1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 136 0.877 -5.738 -1.953 1.00 0.00 H new ATOM 0 HE2 TYR A 136 1.395 -4.330 2.020 1.00 0.00 H new ATOM 0 HH TYR A 136 2.859 -5.494 0.960 1.00 0.00 H new ATOM 40 N VAL A 137 -5.296 -2.171 -1.171 1.00 0.00 N ATOM 41 CA VAL A 137 -6.556 -1.472 -0.983 1.00 0.00 C ATOM 42 C VAL A 137 -7.453 -2.288 -0.051 1.00 0.00 C ATOM 43 O VAL A 137 -7.167 -3.450 0.232 1.00 0.00 O ATOM 44 CB VAL A 137 -7.204 -1.188 -2.340 1.00 0.00 C ATOM 45 CG1 VAL A 137 -8.192 -2.293 -2.717 1.00 0.00 C ATOM 46 CG2 VAL A 137 -7.884 0.182 -2.346 1.00 0.00 C ATOM 0 H VAL A 137 -5.383 -3.179 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.389 -0.505 -0.509 1.00 0.00 H new ATOM 0 HB VAL A 137 -6.415 -1.173 -3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -8.639 -2.067 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -7.667 -3.247 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -8.975 -2.354 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -8.337 0.359 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -8.657 0.208 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -7.144 0.956 -2.143 1.00 0.00 H new ATOM 56 N ARG A 138 -8.522 -1.647 0.401 1.00 0.00 N ATOM 57 CA ARG A 138 -9.463 -2.299 1.295 1.00 0.00 C ATOM 58 C ARG A 138 -10.884 -1.803 1.022 1.00 0.00 C ATOM 59 O ARG A 138 -11.097 -0.614 0.792 1.00 0.00 O ATOM 60 CB ARG A 138 -9.108 -2.031 2.759 1.00 0.00 C ATOM 61 CG ARG A 138 -8.231 -3.150 3.324 1.00 0.00 C ATOM 62 CD ARG A 138 -7.261 -2.607 4.376 1.00 0.00 C ATOM 63 NE ARG A 138 -7.938 -2.510 5.688 1.00 0.00 N ATOM 64 CZ ARG A 138 -7.299 -2.513 6.865 1.00 0.00 C ATOM 65 NH1 ARG A 138 -5.963 -2.607 6.902 1.00 0.00 N ATOM 66 NH2 ARG A 138 -7.996 -2.420 8.006 1.00 0.00 N ATOM 0 H ARG A 138 -8.757 -0.683 0.164 1.00 0.00 H new ATOM 0 HA ARG A 138 -9.407 -3.372 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -8.586 -1.078 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -10.021 -1.947 3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -8.860 -3.921 3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -7.671 -3.621 2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -6.392 -3.261 4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -6.895 -1.626 4.073 1.00 0.00 H new ATOM 0 HE ARG A 138 -8.955 -2.436 5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -5.432 -2.676 6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -5.477 -2.609 7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -9.013 -2.347 7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -7.509 -2.422 8.902 1.00 0.00 H new ATOM 80 N ALA A 139 -11.821 -2.740 1.059 1.00 0.00 N ATOM 81 CA ALA A 139 -13.217 -2.413 0.819 1.00 0.00 C ATOM 82 C ALA A 139 -13.875 -2.009 2.140 1.00 0.00 C ATOM 83 O ALA A 139 -13.865 -2.775 3.102 1.00 0.00 O ATOM 84 CB ALA A 139 -13.914 -3.605 0.160 1.00 0.00 C ATOM 0 H ALA A 139 -11.641 -3.725 1.252 1.00 0.00 H new ATOM 0 HA ALA A 139 -13.302 -1.568 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.961 -3.360 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.426 -3.833 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.852 -4.472 0.818 1.00 0.00 H new ATOM 90 N LEU A 140 -14.433 -0.808 2.143 1.00 0.00 N ATOM 91 CA LEU A 140 -15.095 -0.293 3.329 1.00 0.00 C ATOM 92 C LEU A 140 -16.592 -0.149 3.049 1.00 0.00 C ATOM 93 O LEU A 140 -17.201 0.856 3.411 1.00 0.00 O ATOM 94 CB LEU A 140 -14.429 1.004 3.795 1.00 0.00 C ATOM 95 CG LEU A 140 -13.027 1.273 3.243 1.00 0.00 C ATOM 96 CD1 LEU A 140 -12.709 2.770 3.263 1.00 0.00 C ATOM 97 CD2 LEU A 140 -11.976 0.454 3.995 1.00 0.00 C ATOM 0 H LEU A 140 -14.440 -0.176 1.342 1.00 0.00 H new ATOM 0 HA LEU A 140 -14.990 -0.993 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -15.073 1.839 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -14.373 0.990 4.883 1.00 0.00 H new ATOM 0 HG LEU A 140 -13.001 0.952 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -11.707 2.935 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -13.435 3.304 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -12.758 3.139 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -10.989 0.663 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -11.993 0.722 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -12.196 -0.608 3.887 1.00 0.00 H new ATOM 109 N PHE A 141 -17.143 -1.171 2.409 1.00 0.00 N ATOM 110 CA PHE A 141 -18.558 -1.171 2.077 1.00 0.00 C ATOM 111 C PHE A 141 -19.011 -2.555 1.611 1.00 0.00 C ATOM 112 O PHE A 141 -18.391 -3.152 0.732 1.00 0.00 O ATOM 113 CB PHE A 141 -18.749 -0.172 0.934 1.00 0.00 C ATOM 114 CG PHE A 141 -18.786 1.290 1.385 1.00 0.00 C ATOM 115 CD1 PHE A 141 -19.688 1.690 2.321 1.00 0.00 C ATOM 116 CD2 PHE A 141 -17.919 2.189 0.849 1.00 0.00 C ATOM 117 CE1 PHE A 141 -19.723 3.047 2.739 1.00 0.00 C ATOM 118 CE2 PHE A 141 -17.953 3.546 1.267 1.00 0.00 C ATOM 119 CZ PHE A 141 -18.855 3.946 2.203 1.00 0.00 C ATOM 0 H PHE A 141 -16.635 -2.004 2.112 1.00 0.00 H new ATOM 0 HA PHE A 141 -19.147 -0.902 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -17.940 -0.299 0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -19.678 -0.405 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -20.378 0.976 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -17.204 1.871 0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -20.439 3.365 3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -17.263 4.260 0.842 1.00 0.00 H new ATOM 0 HZ PHE A 141 -18.882 4.978 2.521 1.00 0.00 H new ATOM 129 N ASP A 142 -20.090 -3.026 2.219 1.00 0.00 N ATOM 130 CA ASP A 142 -20.634 -4.329 1.877 1.00 0.00 C ATOM 131 C ASP A 142 -21.328 -4.246 0.516 1.00 0.00 C ATOM 132 O ASP A 142 -22.255 -3.458 0.334 1.00 0.00 O ATOM 133 CB ASP A 142 -21.669 -4.782 2.908 1.00 0.00 C ATOM 134 CG ASP A 142 -22.220 -6.193 2.694 1.00 0.00 C ATOM 135 OD1 ASP A 142 -23.172 -6.315 1.894 1.00 0.00 O ATOM 136 OD2 ASP A 142 -21.676 -7.118 3.336 1.00 0.00 O ATOM 0 H ASP A 142 -20.602 -2.528 2.947 1.00 0.00 H new ATOM 0 HA ASP A 142 -19.810 -5.043 1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.219 -4.730 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -22.501 -4.078 2.899 1.00 0.00 H new ATOM 141 N PHE A 143 -20.851 -5.070 -0.406 1.00 0.00 N ATOM 142 CA PHE A 143 -21.414 -5.099 -1.746 1.00 0.00 C ATOM 143 C PHE A 143 -22.152 -6.415 -2.002 1.00 0.00 C ATOM 144 O PHE A 143 -21.702 -7.477 -1.573 1.00 0.00 O ATOM 145 CB PHE A 143 -20.244 -4.985 -2.725 1.00 0.00 C ATOM 146 CG PHE A 143 -20.669 -4.802 -4.184 1.00 0.00 C ATOM 147 CD1 PHE A 143 -20.994 -5.885 -4.939 1.00 0.00 C ATOM 148 CD2 PHE A 143 -20.721 -3.554 -4.724 1.00 0.00 C ATOM 149 CE1 PHE A 143 -21.389 -5.714 -6.292 1.00 0.00 C ATOM 150 CE2 PHE A 143 -21.115 -3.384 -6.078 1.00 0.00 C ATOM 151 CZ PHE A 143 -21.441 -4.467 -6.833 1.00 0.00 C ATOM 0 H PHE A 143 -20.082 -5.722 -0.252 1.00 0.00 H new ATOM 0 HA PHE A 143 -22.127 -4.284 -1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -19.618 -4.142 -2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -19.629 -5.881 -2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -20.952 -6.875 -4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -20.463 -2.694 -4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -21.648 -6.574 -6.892 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -21.156 -2.394 -6.508 1.00 0.00 H new ATOM 0 HZ PHE A 143 -21.741 -4.337 -7.862 1.00 0.00 H new ATOM 250 N LEU A 151 -15.293 -9.539 -8.323 1.00 0.00 N ATOM 251 CA LEU A 151 -15.196 -10.166 -7.017 1.00 0.00 C ATOM 252 C LEU A 151 -15.912 -9.296 -5.982 1.00 0.00 C ATOM 253 O LEU A 151 -15.698 -8.085 -5.929 1.00 0.00 O ATOM 254 CB LEU A 151 -13.735 -10.458 -6.669 1.00 0.00 C ATOM 255 CG LEU A 151 -13.385 -10.453 -5.179 1.00 0.00 C ATOM 256 CD1 LEU A 151 -13.822 -11.758 -4.510 1.00 0.00 C ATOM 257 CD2 LEU A 151 -11.897 -10.169 -4.966 1.00 0.00 C ATOM 0 HA LEU A 151 -15.698 -11.133 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -13.472 -11.433 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -13.108 -9.721 -7.171 1.00 0.00 H new ATOM 0 HG LEU A 151 -13.938 -9.645 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -13.562 -11.729 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -14.900 -11.878 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -13.315 -12.598 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.675 -10.171 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -11.305 -10.939 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -11.649 -9.194 -5.386 1.00 0.00 H new ATOM 269 N PRO A 152 -16.771 -9.962 -5.165 1.00 0.00 N ATOM 270 CA PRO A 152 -17.520 -9.262 -4.136 1.00 0.00 C ATOM 271 C PRO A 152 -16.620 -8.901 -2.952 1.00 0.00 C ATOM 272 O PRO A 152 -15.702 -9.648 -2.616 1.00 0.00 O ATOM 273 CB PRO A 152 -18.648 -10.209 -3.757 1.00 0.00 C ATOM 274 CG PRO A 152 -18.220 -11.583 -4.248 1.00 0.00 C ATOM 275 CD PRO A 152 -17.051 -11.395 -5.199 1.00 0.00 C ATOM 0 HA PRO A 152 -17.918 -8.308 -4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -18.810 -10.212 -2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -19.587 -9.904 -4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -17.931 -12.215 -3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -19.047 -12.082 -4.753 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -16.185 -11.975 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -17.303 -11.725 -6.207 1.00 0.00 H new ATOM 283 N PHE A 153 -16.913 -7.757 -2.353 1.00 0.00 N ATOM 284 CA PHE A 153 -16.142 -7.288 -1.215 1.00 0.00 C ATOM 285 C PHE A 153 -17.014 -7.201 0.039 1.00 0.00 C ATOM 286 O PHE A 153 -18.219 -7.435 -0.021 1.00 0.00 O ATOM 287 CB PHE A 153 -15.633 -5.889 -1.565 1.00 0.00 C ATOM 288 CG PHE A 153 -16.316 -5.265 -2.784 1.00 0.00 C ATOM 289 CD1 PHE A 153 -16.103 -5.784 -4.023 1.00 0.00 C ATOM 290 CD2 PHE A 153 -17.136 -4.191 -2.628 1.00 0.00 C ATOM 291 CE1 PHE A 153 -16.738 -5.205 -5.154 1.00 0.00 C ATOM 292 CE2 PHE A 153 -17.771 -3.613 -3.760 1.00 0.00 C ATOM 293 CZ PHE A 153 -17.558 -4.132 -4.999 1.00 0.00 C ATOM 0 H PHE A 153 -17.675 -7.140 -2.635 1.00 0.00 H new ATOM 0 HA PHE A 153 -15.324 -7.979 -1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -15.779 -5.235 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -14.560 -5.939 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -15.451 -6.636 -4.147 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -17.304 -3.778 -1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -16.569 -5.618 -6.138 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -18.423 -2.761 -3.637 1.00 0.00 H new ATOM 0 HZ PHE A 153 -18.040 -3.692 -5.859 1.00 0.00 H new ATOM 303 N LYS A 154 -16.369 -6.865 1.147 1.00 0.00 N ATOM 304 CA LYS A 154 -17.069 -6.745 2.414 1.00 0.00 C ATOM 305 C LYS A 154 -16.930 -5.313 2.935 1.00 0.00 C ATOM 306 O LYS A 154 -16.111 -4.544 2.435 1.00 0.00 O ATOM 307 CB LYS A 154 -16.581 -7.808 3.400 1.00 0.00 C ATOM 308 CG LYS A 154 -16.905 -9.216 2.892 1.00 0.00 C ATOM 309 CD LYS A 154 -18.265 -9.687 3.411 1.00 0.00 C ATOM 310 CE LYS A 154 -19.037 -10.436 2.324 1.00 0.00 C ATOM 311 NZ LYS A 154 -20.347 -9.792 2.079 1.00 0.00 N ATOM 0 H LYS A 154 -15.368 -6.672 1.193 1.00 0.00 H new ATOM 0 HA LYS A 154 -18.134 -6.934 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -15.505 -7.708 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -17.050 -7.651 4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -16.906 -9.222 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -16.129 -9.910 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -18.123 -10.337 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -18.846 -8.829 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -18.455 -10.452 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -19.186 -11.473 2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -20.857 -10.314 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -20.907 -9.799 2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -20.199 -8.810 1.771 1.00 0.00 H new ATOM 325 N LYS A 155 -17.743 -4.999 3.933 1.00 0.00 N ATOM 326 CA LYS A 155 -17.721 -3.674 4.528 1.00 0.00 C ATOM 327 C LYS A 155 -16.493 -3.546 5.432 1.00 0.00 C ATOM 328 O LYS A 155 -16.621 -3.241 6.617 1.00 0.00 O ATOM 329 CB LYS A 155 -19.043 -3.384 5.241 1.00 0.00 C ATOM 330 CG LYS A 155 -19.292 -4.391 6.365 1.00 0.00 C ATOM 331 CD LYS A 155 -18.894 -3.807 7.722 1.00 0.00 C ATOM 332 CE LYS A 155 -17.806 -4.656 8.385 1.00 0.00 C ATOM 333 NZ LYS A 155 -18.329 -5.307 9.606 1.00 0.00 N ATOM 0 H LYS A 155 -18.421 -5.640 4.345 1.00 0.00 H new ATOM 0 HA LYS A 155 -17.629 -2.911 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -19.026 -2.374 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -19.863 -3.424 4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -20.345 -4.671 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -18.723 -5.301 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -18.535 -2.786 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -19.768 -3.757 8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -17.451 -5.413 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -16.951 -4.029 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -17.578 -5.879 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -18.646 -4.580 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -19.131 -5.921 9.356 1.00 0.00 H new ATOM 347 N GLY A 156 -15.333 -3.786 4.839 1.00 0.00 N ATOM 348 CA GLY A 156 -14.085 -3.701 5.576 1.00 0.00 C ATOM 349 C GLY A 156 -13.204 -4.923 5.308 1.00 0.00 C ATOM 350 O GLY A 156 -12.687 -5.537 6.239 1.00 0.00 O ATOM 0 H GLY A 156 -15.232 -4.039 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -13.551 -2.794 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -14.293 -3.626 6.643 1.00 0.00 H new ATOM 354 N ASP A 157 -13.063 -5.241 4.029 1.00 0.00 N ATOM 355 CA ASP A 157 -12.255 -6.379 3.626 1.00 0.00 C ATOM 356 C ASP A 157 -10.916 -5.880 3.078 1.00 0.00 C ATOM 357 O ASP A 157 -10.759 -4.692 2.798 1.00 0.00 O ATOM 358 CB ASP A 157 -12.948 -7.183 2.522 1.00 0.00 C ATOM 359 CG ASP A 157 -12.805 -8.701 2.643 1.00 0.00 C ATOM 360 OD1 ASP A 157 -12.601 -9.163 3.785 1.00 0.00 O ATOM 361 OD2 ASP A 157 -12.904 -9.365 1.588 1.00 0.00 O ATOM 0 H ASP A 157 -13.495 -4.730 3.259 1.00 0.00 H new ATOM 0 HA ASP A 157 -12.109 -7.015 4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -14.009 -6.932 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -12.546 -6.871 1.558 1.00 0.00 H new ATOM 366 N ILE A 158 -9.984 -6.812 2.943 1.00 0.00 N ATOM 367 CA ILE A 158 -8.664 -6.483 2.435 1.00 0.00 C ATOM 368 C ILE A 158 -8.548 -6.955 0.984 1.00 0.00 C ATOM 369 O ILE A 158 -8.956 -8.067 0.655 1.00 0.00 O ATOM 370 CB ILE A 158 -7.579 -7.048 3.354 1.00 0.00 C ATOM 371 CG1 ILE A 158 -7.296 -6.095 4.518 1.00 0.00 C ATOM 372 CG2 ILE A 158 -6.311 -7.381 2.565 1.00 0.00 C ATOM 373 CD1 ILE A 158 -6.379 -6.751 5.552 1.00 0.00 C ATOM 0 H ILE A 158 -10.118 -7.796 3.177 1.00 0.00 H new ATOM 0 HA ILE A 158 -8.516 -5.403 2.432 1.00 0.00 H new ATOM 0 HB ILE A 158 -7.946 -7.981 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 158 -6.832 -5.183 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 158 -8.234 -5.804 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 158 -5.556 -7.781 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 158 -6.542 -8.123 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 158 -5.930 -6.477 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -6.193 -6.053 6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 158 -6.856 -7.649 5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 158 -5.433 -7.019 5.081 1.00 0.00 H new ATOM 385 N LEU A 159 -7.990 -6.085 0.155 1.00 0.00 N ATOM 386 CA LEU A 159 -7.816 -6.399 -1.253 1.00 0.00 C ATOM 387 C LEU A 159 -6.493 -5.806 -1.744 1.00 0.00 C ATOM 388 O LEU A 159 -6.294 -4.594 -1.687 1.00 0.00 O ATOM 389 CB LEU A 159 -9.032 -5.938 -2.059 1.00 0.00 C ATOM 390 CG LEU A 159 -10.333 -6.702 -1.805 1.00 0.00 C ATOM 391 CD1 LEU A 159 -11.530 -5.748 -1.773 1.00 0.00 C ATOM 392 CD2 LEU A 159 -10.521 -7.823 -2.828 1.00 0.00 C ATOM 0 H LEU A 159 -7.653 -5.163 0.431 1.00 0.00 H new ATOM 0 HA LEU A 159 -7.756 -7.478 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.206 -4.883 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -8.790 -6.014 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 159 -10.267 -7.172 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -12.443 -6.315 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.392 -5.017 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -11.609 -5.231 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.453 -8.349 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.556 -7.398 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -9.687 -8.522 -2.759 1.00 0.00 H new ATOM 404 N ARG A 160 -5.624 -6.689 -2.212 1.00 0.00 N ATOM 405 CA ARG A 160 -4.326 -6.270 -2.711 1.00 0.00 C ATOM 406 C ARG A 160 -4.419 -5.908 -4.195 1.00 0.00 C ATOM 407 O ARG A 160 -5.195 -6.510 -4.937 1.00 0.00 O ATOM 408 CB ARG A 160 -3.281 -7.373 -2.527 1.00 0.00 C ATOM 409 CG ARG A 160 -2.126 -7.205 -3.516 1.00 0.00 C ATOM 410 CD ARG A 160 -1.306 -8.492 -3.625 1.00 0.00 C ATOM 411 NE ARG A 160 -0.042 -8.352 -2.868 1.00 0.00 N ATOM 412 CZ ARG A 160 0.664 -9.384 -2.387 1.00 0.00 C ATOM 413 NH1 ARG A 160 0.234 -10.638 -2.582 1.00 0.00 N ATOM 414 NH2 ARG A 160 1.799 -9.163 -1.712 1.00 0.00 N ATOM 0 H ARG A 160 -5.794 -7.694 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 160 -4.018 -5.395 -2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -2.897 -7.349 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -3.747 -8.348 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -2.518 -6.935 -4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -1.483 -6.386 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -1.881 -9.333 -3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -1.091 -8.708 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 160 0.314 -7.411 -2.702 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -0.630 -10.807 -3.096 1.00 0.00 H new ATOM 0 HH12 ARG A 160 0.771 -11.424 -2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.127 -8.208 -1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.336 -9.949 -1.346 1.00 0.00 H new ATOM 428 N ILE A 161 -3.617 -4.928 -4.584 1.00 0.00 N ATOM 429 CA ILE A 161 -3.600 -4.479 -5.967 1.00 0.00 C ATOM 430 C ILE A 161 -2.652 -5.366 -6.774 1.00 0.00 C ATOM 431 O ILE A 161 -1.479 -5.502 -6.429 1.00 0.00 O ATOM 432 CB ILE A 161 -3.262 -2.988 -6.042 1.00 0.00 C ATOM 433 CG1 ILE A 161 -4.317 -2.150 -5.316 1.00 0.00 C ATOM 434 CG2 ILE A 161 -3.073 -2.542 -7.493 1.00 0.00 C ATOM 435 CD1 ILE A 161 -5.688 -2.301 -5.976 1.00 0.00 C ATOM 0 H ILE A 161 -2.974 -4.432 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 161 -4.589 -4.580 -6.413 1.00 0.00 H new ATOM 0 HB ILE A 161 -2.314 -2.825 -5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -4.376 -2.459 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.020 -1.101 -5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -2.834 -1.479 -7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -2.258 -3.108 -7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -3.992 -2.721 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.419 -1.695 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.631 -1.969 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -5.993 -3.347 -5.947 1.00 0.00 H new ATOM 447 N ARG A 162 -3.194 -5.947 -7.834 1.00 0.00 N ATOM 448 CA ARG A 162 -2.411 -6.818 -8.694 1.00 0.00 C ATOM 449 C ARG A 162 -2.255 -6.193 -10.081 1.00 0.00 C ATOM 450 O ARG A 162 -1.150 -6.138 -10.620 1.00 0.00 O ATOM 451 CB ARG A 162 -3.069 -8.192 -8.832 1.00 0.00 C ATOM 452 CG ARG A 162 -2.017 -9.289 -9.007 1.00 0.00 C ATOM 453 CD ARG A 162 -1.348 -9.193 -10.380 1.00 0.00 C ATOM 454 NE ARG A 162 -0.529 -10.401 -10.629 1.00 0.00 N ATOM 455 CZ ARG A 162 -0.387 -10.978 -11.830 1.00 0.00 C ATOM 456 NH1 ARG A 162 -1.008 -10.460 -12.899 1.00 0.00 N ATOM 457 NH2 ARG A 162 0.376 -12.072 -11.963 1.00 0.00 N ATOM 0 H ARG A 162 -4.167 -5.831 -8.117 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.430 -6.942 -8.235 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.673 -8.400 -7.949 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -3.745 -8.191 -9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -1.263 -9.203 -8.224 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.484 -10.267 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.106 -9.091 -11.157 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -0.721 -8.302 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 162 -0.042 -10.820 -9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -1.588 -9.627 -12.798 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -0.900 -10.899 -13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 162 0.849 -12.466 -11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 162 0.484 -12.511 -12.878 1.00 0.00 H new ATOM 471 N ASP A 163 -3.376 -5.737 -10.620 1.00 0.00 N ATOM 472 CA ASP A 163 -3.377 -5.118 -11.934 1.00 0.00 C ATOM 473 C ASP A 163 -4.404 -3.984 -11.958 1.00 0.00 C ATOM 474 O ASP A 163 -5.469 -4.094 -11.354 1.00 0.00 O ATOM 475 CB ASP A 163 -3.761 -6.127 -13.018 1.00 0.00 C ATOM 476 CG ASP A 163 -2.582 -6.785 -13.736 1.00 0.00 C ATOM 477 OD1 ASP A 163 -2.126 -7.835 -13.233 1.00 0.00 O ATOM 478 OD2 ASP A 163 -2.163 -6.225 -14.771 1.00 0.00 O ATOM 0 H ASP A 163 -4.290 -5.784 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 163 -2.373 -4.743 -12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -4.373 -6.908 -12.566 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.382 -5.623 -13.758 1.00 0.00 H new ATOM 483 N LYS A 164 -4.047 -2.920 -12.663 1.00 0.00 N ATOM 484 CA LYS A 164 -4.925 -1.768 -12.774 1.00 0.00 C ATOM 485 C LYS A 164 -5.101 -1.406 -14.250 1.00 0.00 C ATOM 486 O LYS A 164 -4.608 -0.376 -14.705 1.00 0.00 O ATOM 487 CB LYS A 164 -4.402 -0.612 -11.917 1.00 0.00 C ATOM 488 CG LYS A 164 -4.247 -1.040 -10.456 1.00 0.00 C ATOM 489 CD LYS A 164 -3.504 0.026 -9.648 1.00 0.00 C ATOM 490 CE LYS A 164 -2.012 -0.299 -9.552 1.00 0.00 C ATOM 491 NZ LYS A 164 -1.431 0.292 -8.325 1.00 0.00 N ATOM 0 H LYS A 164 -3.162 -2.832 -13.163 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.914 -2.005 -12.383 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.441 -0.273 -12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -5.088 0.233 -11.982 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -5.230 -1.214 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.704 -1.984 -10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -3.638 1.001 -10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -3.931 0.092 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -1.869 -1.380 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -1.493 0.086 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -0.697 0.982 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -2.178 0.770 -7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -1.008 -0.460 -7.744 1.00 0.00 H new ATOM 505 N PRO A 165 -5.827 -2.299 -14.977 1.00 0.00 N ATOM 506 CA PRO A 165 -6.075 -2.084 -16.392 1.00 0.00 C ATOM 507 C PRO A 165 -7.132 -0.998 -16.605 1.00 0.00 C ATOM 508 O PRO A 165 -6.836 0.063 -17.151 1.00 0.00 O ATOM 509 CB PRO A 165 -6.503 -3.442 -16.926 1.00 0.00 C ATOM 510 CG PRO A 165 -6.925 -4.254 -15.713 1.00 0.00 C ATOM 511 CD PRO A 165 -6.428 -3.530 -14.472 1.00 0.00 C ATOM 0 HA PRO A 165 -5.195 -1.720 -16.923 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -7.326 -3.341 -17.634 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -5.684 -3.929 -17.456 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -8.009 -4.361 -15.684 1.00 0.00 H new ATOM 0 HG3 PRO A 165 -6.506 -5.259 -15.762 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -7.246 -3.318 -13.783 1.00 0.00 H new ATOM 0 HD3 PRO A 165 -5.700 -4.132 -13.927 1.00 0.00 H new ATOM 519 N GLU A 166 -8.343 -1.302 -16.163 1.00 0.00 N ATOM 520 CA GLU A 166 -9.446 -0.365 -16.298 1.00 0.00 C ATOM 521 C GLU A 166 -9.139 0.929 -15.543 1.00 0.00 C ATOM 522 O GLU A 166 -8.062 1.074 -14.965 1.00 0.00 O ATOM 523 CB GLU A 166 -10.757 -0.986 -15.810 1.00 0.00 C ATOM 524 CG GLU A 166 -11.190 -2.138 -16.720 1.00 0.00 C ATOM 525 CD GLU A 166 -11.887 -3.238 -15.917 1.00 0.00 C ATOM 526 OE1 GLU A 166 -11.162 -4.136 -15.437 1.00 0.00 O ATOM 527 OE2 GLU A 166 -13.129 -3.155 -15.802 1.00 0.00 O ATOM 0 H GLU A 166 -8.585 -2.184 -15.711 1.00 0.00 H new ATOM 0 HA GLU A 166 -9.566 -0.127 -17.355 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -10.634 -1.350 -14.790 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -11.537 -0.225 -15.785 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -11.863 -1.764 -17.491 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -10.319 -2.551 -17.230 1.00 0.00 H new ATOM 534 N GLU A 167 -10.103 1.838 -15.571 1.00 0.00 N ATOM 535 CA GLU A 167 -9.949 3.114 -14.897 1.00 0.00 C ATOM 536 C GLU A 167 -11.030 3.284 -13.827 1.00 0.00 C ATOM 537 O GLU A 167 -11.438 4.404 -13.524 1.00 0.00 O ATOM 538 CB GLU A 167 -9.982 4.271 -15.898 1.00 0.00 C ATOM 539 CG GLU A 167 -8.614 4.469 -16.552 1.00 0.00 C ATOM 540 CD GLU A 167 -7.583 4.957 -15.533 1.00 0.00 C ATOM 541 OE1 GLU A 167 -7.008 4.087 -14.845 1.00 0.00 O ATOM 542 OE2 GLU A 167 -7.394 6.191 -15.463 1.00 0.00 O ATOM 0 H GLU A 167 -10.994 1.715 -16.051 1.00 0.00 H new ATOM 0 HA GLU A 167 -8.975 3.128 -14.407 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.730 4.072 -16.665 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -10.282 5.188 -15.390 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -8.279 3.530 -16.992 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -8.697 5.191 -17.365 1.00 0.00 H new ATOM 549 N GLN A 168 -11.461 2.155 -13.283 1.00 0.00 N ATOM 550 CA GLN A 168 -12.486 2.164 -12.254 1.00 0.00 C ATOM 551 C GLN A 168 -12.353 0.930 -11.361 1.00 0.00 C ATOM 552 O GLN A 168 -12.427 1.032 -10.138 1.00 0.00 O ATOM 553 CB GLN A 168 -13.883 2.247 -12.872 1.00 0.00 C ATOM 554 CG GLN A 168 -13.969 1.406 -14.147 1.00 0.00 C ATOM 555 CD GLN A 168 -14.237 2.288 -15.368 1.00 0.00 C ATOM 556 OE1 GLN A 168 -13.420 3.100 -15.771 1.00 0.00 O ATOM 557 NE2 GLN A 168 -15.424 2.084 -15.933 1.00 0.00 N ATOM 0 H GLN A 168 -11.119 1.228 -13.536 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.345 3.051 -11.636 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.624 1.900 -12.152 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.123 3.286 -13.100 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -13.038 0.857 -14.288 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -14.764 0.667 -14.046 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -16.061 1.388 -15.545 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -15.697 2.623 -16.754 1.00 0.00 H new ATOM 566 N TRP A 169 -12.159 -0.211 -12.008 1.00 0.00 N ATOM 567 CA TRP A 169 -12.015 -1.464 -11.288 1.00 0.00 C ATOM 568 C TRP A 169 -10.634 -2.039 -11.609 1.00 0.00 C ATOM 569 O TRP A 169 -10.219 -2.055 -12.767 1.00 0.00 O ATOM 570 CB TRP A 169 -13.156 -2.426 -11.628 1.00 0.00 C ATOM 571 CG TRP A 169 -14.532 -1.951 -11.158 1.00 0.00 C ATOM 572 CD1 TRP A 169 -15.187 -0.838 -11.517 1.00 0.00 C ATOM 573 CD2 TRP A 169 -15.400 -2.623 -10.221 1.00 0.00 C ATOM 574 NE1 TRP A 169 -16.409 -0.744 -10.882 1.00 0.00 N ATOM 575 CE2 TRP A 169 -16.543 -1.864 -10.070 1.00 0.00 C ATOM 576 CE3 TRP A 169 -15.225 -3.831 -9.525 1.00 0.00 C ATOM 577 CZ2 TRP A 169 -17.599 -2.230 -9.227 1.00 0.00 C ATOM 578 CZ3 TRP A 169 -16.290 -4.183 -8.687 1.00 0.00 C ATOM 579 CH2 TRP A 169 -17.447 -3.430 -8.523 1.00 0.00 C ATOM 0 H TRP A 169 -12.098 -0.293 -13.023 1.00 0.00 H new ATOM 0 HA TRP A 169 -12.082 -1.300 -10.213 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -13.183 -2.574 -12.708 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -12.945 -3.396 -11.179 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -14.807 -0.107 -12.215 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -17.089 0.009 -10.989 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -14.339 -4.440 -9.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -18.484 -1.619 -9.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -16.207 -5.104 -8.129 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -18.225 -3.769 -7.855 1.00 0.00 H new ATOM 590 N TRP A 170 -9.959 -2.494 -10.564 1.00 0.00 N ATOM 591 CA TRP A 170 -8.633 -3.067 -10.720 1.00 0.00 C ATOM 592 C TRP A 170 -8.689 -4.523 -10.253 1.00 0.00 C ATOM 593 O TRP A 170 -9.565 -4.896 -9.474 1.00 0.00 O ATOM 594 CB TRP A 170 -7.587 -2.239 -9.973 1.00 0.00 C ATOM 595 CG TRP A 170 -7.592 -0.754 -10.337 1.00 0.00 C ATOM 596 CD1 TRP A 170 -7.821 -0.198 -11.535 1.00 0.00 C ATOM 597 CD2 TRP A 170 -7.347 0.352 -9.442 1.00 0.00 C ATOM 598 NE1 TRP A 170 -7.741 1.178 -11.478 1.00 0.00 N ATOM 599 CE2 TRP A 170 -7.443 1.523 -10.165 1.00 0.00 C ATOM 600 CE3 TRP A 170 -7.051 0.362 -8.068 1.00 0.00 C ATOM 601 CZ2 TRP A 170 -7.260 2.791 -9.600 1.00 0.00 C ATOM 602 CZ3 TRP A 170 -6.871 1.637 -7.517 1.00 0.00 C ATOM 603 CH2 TRP A 170 -6.965 2.825 -8.232 1.00 0.00 C ATOM 0 H TRP A 170 -10.306 -2.477 -9.605 1.00 0.00 H new ATOM 0 HA TRP A 170 -8.325 -3.049 -11.766 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -7.757 -2.340 -8.901 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -6.599 -2.650 -10.179 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -8.041 -0.757 -12.432 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -7.876 1.823 -12.256 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -6.969 -0.542 -7.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -7.342 3.693 -10.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -6.643 1.701 -6.463 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.811 3.771 -7.734 1.00 0.00 H new ATOM 614 N ASN A 171 -7.743 -5.307 -10.748 1.00 0.00 N ATOM 615 CA ASN A 171 -7.673 -6.714 -10.391 1.00 0.00 C ATOM 616 C ASN A 171 -6.883 -6.867 -9.090 1.00 0.00 C ATOM 617 O ASN A 171 -5.658 -6.977 -9.114 1.00 0.00 O ATOM 618 CB ASN A 171 -6.959 -7.523 -11.477 1.00 0.00 C ATOM 619 CG ASN A 171 -7.967 -8.167 -12.432 1.00 0.00 C ATOM 620 OD1 ASN A 171 -8.391 -9.297 -12.257 1.00 0.00 O ATOM 621 ND2 ASN A 171 -8.323 -7.388 -13.449 1.00 0.00 N ATOM 0 H ASN A 171 -7.018 -4.995 -11.394 1.00 0.00 H new ATOM 0 HA ASN A 171 -8.692 -7.084 -10.277 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -6.286 -6.873 -12.037 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -6.345 -8.296 -11.015 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -8.990 -7.727 -14.142 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -7.929 -6.451 -13.536 1.00 0.00 H new ATOM 628 N ALA A 172 -7.615 -6.870 -7.987 1.00 0.00 N ATOM 629 CA ALA A 172 -6.998 -7.007 -6.679 1.00 0.00 C ATOM 630 C ALA A 172 -7.271 -8.412 -6.137 1.00 0.00 C ATOM 631 O ALA A 172 -8.223 -9.070 -6.556 1.00 0.00 O ATOM 632 CB ALA A 172 -7.523 -5.912 -5.749 1.00 0.00 C ATOM 0 H ALA A 172 -8.631 -6.780 -7.972 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.917 -6.884 -6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.060 -6.015 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -7.279 -4.934 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.605 -6.005 -5.651 1.00 0.00 H new ATOM 638 N GLU A 173 -6.418 -8.831 -5.214 1.00 0.00 N ATOM 639 CA GLU A 173 -6.555 -10.146 -4.610 1.00 0.00 C ATOM 640 C GLU A 173 -7.072 -10.019 -3.175 1.00 0.00 C ATOM 641 O GLU A 173 -6.339 -9.600 -2.282 1.00 0.00 O ATOM 642 CB GLU A 173 -5.229 -10.908 -4.649 1.00 0.00 C ATOM 643 CG GLU A 173 -5.333 -12.229 -3.885 1.00 0.00 C ATOM 644 CD GLU A 173 -3.945 -12.764 -3.523 1.00 0.00 C ATOM 645 OE1 GLU A 173 -3.020 -12.533 -4.331 1.00 0.00 O ATOM 646 OE2 GLU A 173 -3.841 -13.390 -2.447 1.00 0.00 O ATOM 0 H GLU A 173 -5.629 -8.283 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 173 -7.281 -10.717 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -4.948 -11.104 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -4.440 -10.294 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -5.919 -12.083 -2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -5.863 -12.963 -4.492 1.00 0.00 H new ATOM 653 N ASP A 174 -8.332 -10.391 -3.000 1.00 0.00 N ATOM 654 CA ASP A 174 -8.956 -10.326 -1.689 1.00 0.00 C ATOM 655 C ASP A 174 -8.075 -11.054 -0.673 1.00 0.00 C ATOM 656 O ASP A 174 -7.023 -11.585 -1.025 1.00 0.00 O ATOM 657 CB ASP A 174 -10.327 -11.003 -1.698 1.00 0.00 C ATOM 658 CG ASP A 174 -11.323 -10.459 -0.670 1.00 0.00 C ATOM 659 OD1 ASP A 174 -11.017 -10.579 0.535 1.00 0.00 O ATOM 660 OD2 ASP A 174 -12.369 -9.937 -1.114 1.00 0.00 O ATOM 0 H ASP A 174 -8.937 -10.738 -3.744 1.00 0.00 H new ATOM 0 HA ASP A 174 -9.075 -9.276 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 174 -10.761 -10.899 -2.693 1.00 0.00 H new ATOM 0 HB3 ASP A 174 -10.190 -12.070 -1.520 1.00 0.00 H new ATOM 665 N SER A 175 -8.537 -11.056 0.569 1.00 0.00 N ATOM 666 CA SER A 175 -7.804 -11.710 1.639 1.00 0.00 C ATOM 667 C SER A 175 -8.138 -13.203 1.666 1.00 0.00 C ATOM 668 O SER A 175 -8.072 -13.840 2.716 1.00 0.00 O ATOM 669 CB SER A 175 -8.120 -11.072 2.994 1.00 0.00 C ATOM 670 OG SER A 175 -9.523 -10.945 3.210 1.00 0.00 O ATOM 0 H SER A 175 -9.410 -10.615 0.858 1.00 0.00 H new ATOM 0 HA SER A 175 -6.738 -11.585 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 175 -7.684 -11.676 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 175 -7.654 -10.088 3.049 1.00 0.00 H new ATOM 0 HG SER A 175 -9.683 -10.535 4.086 1.00 0.00 H new ATOM 676 N GLU A 176 -8.491 -13.719 0.497 1.00 0.00 N ATOM 677 CA GLU A 176 -8.836 -15.125 0.372 1.00 0.00 C ATOM 678 C GLU A 176 -8.103 -15.747 -0.817 1.00 0.00 C ATOM 679 O GLU A 176 -8.208 -16.950 -1.055 1.00 0.00 O ATOM 680 CB GLU A 176 -10.348 -15.309 0.241 1.00 0.00 C ATOM 681 CG GLU A 176 -11.061 -14.936 1.543 1.00 0.00 C ATOM 682 CD GLU A 176 -12.539 -15.325 1.490 1.00 0.00 C ATOM 683 OE1 GLU A 176 -13.101 -15.274 0.375 1.00 0.00 O ATOM 684 OE2 GLU A 176 -13.075 -15.667 2.567 1.00 0.00 O ATOM 0 H GLU A 176 -8.545 -13.188 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 176 -8.518 -15.639 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -10.724 -14.690 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -10.571 -16.345 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -10.579 -15.438 2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -10.970 -13.864 1.718 1.00 0.00 H new ATOM 691 N GLY A 177 -7.376 -14.902 -1.533 1.00 0.00 N ATOM 692 CA GLY A 177 -6.626 -15.354 -2.692 1.00 0.00 C ATOM 693 C GLY A 177 -7.447 -15.195 -3.973 1.00 0.00 C ATOM 694 O GLY A 177 -6.976 -15.521 -5.062 1.00 0.00 O ATOM 0 H GLY A 177 -7.290 -13.906 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 177 -5.701 -14.784 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 177 -6.346 -16.399 -2.563 1.00 0.00 H new ATOM 698 N LYS A 178 -8.661 -14.695 -3.801 1.00 0.00 N ATOM 699 CA LYS A 178 -9.553 -14.488 -4.930 1.00 0.00 C ATOM 700 C LYS A 178 -9.148 -13.210 -5.667 1.00 0.00 C ATOM 701 O LYS A 178 -9.344 -12.107 -5.160 1.00 0.00 O ATOM 702 CB LYS A 178 -11.012 -14.495 -4.468 1.00 0.00 C ATOM 703 CG LYS A 178 -11.447 -15.900 -4.046 1.00 0.00 C ATOM 704 CD LYS A 178 -12.962 -16.068 -4.180 1.00 0.00 C ATOM 705 CE LYS A 178 -13.361 -16.306 -5.638 1.00 0.00 C ATOM 706 NZ LYS A 178 -14.628 -15.608 -5.949 1.00 0.00 N ATOM 0 H LYS A 178 -9.049 -14.427 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 178 -9.464 -15.309 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 178 -11.136 -13.806 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 178 -11.654 -14.138 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 178 -10.939 -16.642 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 178 -11.147 -16.083 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 178 -13.294 -16.906 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 178 -13.465 -15.178 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 178 -12.571 -15.951 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 178 -13.473 -17.375 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 -14.884 -15.780 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 -15.383 -15.966 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 -14.509 -14.587 -5.794 1.00 0.00 H new ATOM 720 N ARG A 179 -8.589 -13.403 -6.854 1.00 0.00 N ATOM 721 CA ARG A 179 -8.154 -12.280 -7.666 1.00 0.00 C ATOM 722 C ARG A 179 -9.242 -11.899 -8.672 1.00 0.00 C ATOM 723 O ARG A 179 -9.559 -12.676 -9.573 1.00 0.00 O ATOM 724 CB ARG A 179 -6.865 -12.612 -8.421 1.00 0.00 C ATOM 725 CG ARG A 179 -5.699 -12.813 -7.452 1.00 0.00 C ATOM 726 CD ARG A 179 -5.125 -14.226 -7.570 1.00 0.00 C ATOM 727 NE ARG A 179 -3.648 -14.167 -7.652 1.00 0.00 N ATOM 728 CZ ARG A 179 -2.966 -14.001 -8.794 1.00 0.00 C ATOM 729 NH1 ARG A 179 -3.623 -13.875 -9.955 1.00 0.00 N ATOM 730 NH2 ARG A 179 -1.627 -13.959 -8.775 1.00 0.00 N ATOM 0 H ARG A 179 -8.428 -14.320 -7.272 1.00 0.00 H new ATOM 0 HA ARG A 179 -7.964 -11.441 -6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 179 -7.009 -13.515 -9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 179 -6.629 -11.807 -9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 179 -4.918 -12.081 -7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 179 -6.036 -12.638 -6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 179 -5.426 -14.823 -6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 179 -5.527 -14.718 -8.455 1.00 0.00 H new ATOM 0 HE ARG A 179 -3.117 -14.258 -6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 179 -4.642 -13.905 -9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 179 -3.104 -13.749 -10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 179 -1.126 -14.053 -7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 179 -1.108 -13.833 -9.644 1.00 0.00 H new ATOM 744 N GLY A 180 -9.785 -10.705 -8.486 1.00 0.00 N ATOM 745 CA GLY A 180 -10.832 -10.213 -9.366 1.00 0.00 C ATOM 746 C GLY A 180 -10.831 -8.684 -9.416 1.00 0.00 C ATOM 747 O GLY A 180 -9.909 -8.043 -8.914 1.00 0.00 O ATOM 0 H GLY A 180 -9.520 -10.063 -7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 180 -10.687 -10.614 -10.369 1.00 0.00 H new ATOM 0 HA3 GLY A 180 -11.802 -10.569 -9.018 1.00 0.00 H new ATOM 751 N MET A 181 -11.875 -8.144 -10.026 1.00 0.00 N ATOM 752 CA MET A 181 -12.007 -6.702 -10.148 1.00 0.00 C ATOM 753 C MET A 181 -12.612 -6.096 -8.881 1.00 0.00 C ATOM 754 O MET A 181 -13.619 -6.588 -8.373 1.00 0.00 O ATOM 755 CB MET A 181 -12.897 -6.370 -11.348 1.00 0.00 C ATOM 756 CG MET A 181 -12.090 -5.699 -12.461 1.00 0.00 C ATOM 757 SD MET A 181 -13.072 -5.595 -13.949 1.00 0.00 S ATOM 758 CE MET A 181 -12.697 -7.181 -14.678 1.00 0.00 C ATOM 0 H MET A 181 -12.638 -8.679 -10.441 1.00 0.00 H new ATOM 0 HA MET A 181 -11.014 -6.277 -10.292 1.00 0.00 H new ATOM 0 HB2 MET A 181 -13.357 -7.282 -11.727 1.00 0.00 H new ATOM 0 HB3 MET A 181 -13.707 -5.711 -11.033 1.00 0.00 H new ATOM 0 HG2 MET A 181 -11.783 -4.701 -12.148 1.00 0.00 H new ATOM 0 HG3 MET A 181 -11.180 -6.267 -12.655 1.00 0.00 H new ATOM 0 HE1 MET A 181 -13.232 -7.283 -15.622 1.00 0.00 H new ATOM 0 HE2 MET A 181 -11.625 -7.254 -14.859 1.00 0.00 H new ATOM 0 HE3 MET A 181 -13.005 -7.976 -13.999 1.00 0.00 H new ATOM 768 N ILE A 182 -11.972 -5.039 -8.405 1.00 0.00 N ATOM 769 CA ILE A 182 -12.435 -4.361 -7.206 1.00 0.00 C ATOM 770 C ILE A 182 -12.575 -2.865 -7.491 1.00 0.00 C ATOM 771 O ILE A 182 -11.769 -2.291 -8.223 1.00 0.00 O ATOM 772 CB ILE A 182 -11.517 -4.678 -6.023 1.00 0.00 C ATOM 773 CG1 ILE A 182 -11.465 -6.184 -5.758 1.00 0.00 C ATOM 774 CG2 ILE A 182 -11.933 -3.891 -4.779 1.00 0.00 C ATOM 775 CD1 ILE A 182 -12.802 -6.693 -5.218 1.00 0.00 C ATOM 0 H ILE A 182 -11.136 -4.635 -8.828 1.00 0.00 H new ATOM 0 HA ILE A 182 -13.422 -4.725 -6.921 1.00 0.00 H new ATOM 0 HB ILE A 182 -10.506 -4.361 -6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -11.217 -6.710 -6.680 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -10.673 -6.404 -5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -11.264 -4.135 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -11.876 -2.823 -4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -12.955 -4.154 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -12.737 -7.766 -5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -13.035 -6.182 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -13.588 -6.494 -5.946 1.00 0.00 H new ATOM 787 N PRO A 183 -13.630 -2.259 -6.884 1.00 0.00 N ATOM 788 CA PRO A 183 -13.885 -0.840 -7.066 1.00 0.00 C ATOM 789 C PRO A 183 -12.894 0.003 -6.262 1.00 0.00 C ATOM 790 O PRO A 183 -12.568 -0.333 -5.125 1.00 0.00 O ATOM 791 CB PRO A 183 -15.328 -0.641 -6.629 1.00 0.00 C ATOM 792 CG PRO A 183 -15.679 -1.855 -5.785 1.00 0.00 C ATOM 793 CD PRO A 183 -14.604 -2.907 -6.011 1.00 0.00 C ATOM 0 HA PRO A 183 -13.747 -0.516 -8.098 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -15.439 0.279 -6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -15.990 -0.560 -7.491 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -15.732 -1.584 -4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -16.658 -2.244 -6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -14.149 -3.216 -5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -15.017 -3.803 -6.475 1.00 0.00 H new ATOM 801 N VAL A 184 -12.443 1.083 -6.884 1.00 0.00 N ATOM 802 CA VAL A 184 -11.496 1.977 -6.240 1.00 0.00 C ATOM 803 C VAL A 184 -12.247 2.905 -5.284 1.00 0.00 C ATOM 804 O VAL A 184 -11.710 3.309 -4.254 1.00 0.00 O ATOM 805 CB VAL A 184 -10.688 2.732 -7.297 1.00 0.00 C ATOM 806 CG1 VAL A 184 -9.713 3.715 -6.643 1.00 0.00 C ATOM 807 CG2 VAL A 184 -9.951 1.761 -8.220 1.00 0.00 C ATOM 0 H VAL A 184 -12.716 1.359 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 184 -10.779 1.411 -5.646 1.00 0.00 H new ATOM 0 HB VAL A 184 -11.386 3.307 -7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -9.151 4.239 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -10.270 4.438 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -9.023 3.169 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -9.384 2.323 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -9.269 1.147 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -10.673 1.120 -8.725 1.00 0.00 H new ATOM 817 N PRO A 185 -13.511 3.228 -5.670 1.00 0.00 N ATOM 818 CA PRO A 185 -14.341 4.102 -4.860 1.00 0.00 C ATOM 819 C PRO A 185 -14.869 3.368 -3.625 1.00 0.00 C ATOM 820 O PRO A 185 -14.987 3.956 -2.551 1.00 0.00 O ATOM 821 CB PRO A 185 -15.448 4.568 -5.791 1.00 0.00 C ATOM 822 CG PRO A 185 -15.464 3.580 -6.946 1.00 0.00 C ATOM 823 CD PRO A 185 -14.180 2.769 -6.884 1.00 0.00 C ATOM 0 HA PRO A 185 -13.790 4.953 -4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -16.409 4.584 -5.277 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -15.259 5.581 -6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -16.333 2.925 -6.876 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -15.537 4.106 -7.898 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -14.388 1.700 -6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -13.561 2.938 -7.765 1.00 0.00 H new ATOM 831 N TYR A 186 -15.170 2.092 -3.819 1.00 0.00 N ATOM 832 CA TYR A 186 -15.682 1.272 -2.734 1.00 0.00 C ATOM 833 C TYR A 186 -14.542 0.576 -1.988 1.00 0.00 C ATOM 834 O TYR A 186 -14.719 -0.521 -1.459 1.00 0.00 O ATOM 835 CB TYR A 186 -16.567 0.210 -3.390 1.00 0.00 C ATOM 836 CG TYR A 186 -18.062 0.389 -3.113 1.00 0.00 C ATOM 837 CD1 TYR A 186 -18.769 1.384 -3.755 1.00 0.00 C ATOM 838 CD2 TYR A 186 -18.703 -0.446 -2.221 1.00 0.00 C ATOM 839 CE1 TYR A 186 -20.175 1.552 -3.494 1.00 0.00 C ATOM 840 CE2 TYR A 186 -20.108 -0.280 -1.960 1.00 0.00 C ATOM 841 CZ TYR A 186 -20.776 0.712 -2.610 1.00 0.00 C ATOM 842 OH TYR A 186 -22.103 0.870 -2.363 1.00 0.00 O ATOM 0 H TYR A 186 -15.069 1.606 -4.710 1.00 0.00 H new ATOM 0 HA TYR A 186 -16.225 1.884 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -16.403 0.229 -4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -16.258 -0.774 -3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -18.268 2.037 -4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -18.149 -1.225 -1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -20.740 2.328 -3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -20.621 -0.928 -1.264 1.00 0.00 H new ATOM 0 HH TYR A 186 -22.397 0.199 -1.712 1.00 0.00 H new ATOM 852 N VAL A 187 -13.397 1.243 -1.967 1.00 0.00 N ATOM 853 CA VAL A 187 -12.228 0.704 -1.293 1.00 0.00 C ATOM 854 C VAL A 187 -11.336 1.856 -0.829 1.00 0.00 C ATOM 855 O VAL A 187 -11.677 3.023 -1.012 1.00 0.00 O ATOM 856 CB VAL A 187 -11.504 -0.281 -2.213 1.00 0.00 C ATOM 857 CG1 VAL A 187 -12.440 -1.406 -2.660 1.00 0.00 C ATOM 858 CG2 VAL A 187 -10.897 0.439 -3.419 1.00 0.00 C ATOM 0 H VAL A 187 -13.254 2.152 -2.406 1.00 0.00 H new ATOM 0 HA VAL A 187 -12.522 0.144 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 187 -10.689 -0.730 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -11.899 -2.091 -3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -12.802 -1.947 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -13.286 -0.982 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -10.388 -0.284 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -11.688 0.929 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -10.181 1.186 -3.075 1.00 0.00 H new ATOM 868 N GLU A 188 -10.209 1.487 -0.237 1.00 0.00 N ATOM 869 CA GLU A 188 -9.264 2.476 0.255 1.00 0.00 C ATOM 870 C GLU A 188 -7.830 1.979 0.067 1.00 0.00 C ATOM 871 O GLU A 188 -7.525 0.824 0.362 1.00 0.00 O ATOM 872 CB GLU A 188 -9.539 2.815 1.721 1.00 0.00 C ATOM 873 CG GLU A 188 -9.732 4.321 1.910 1.00 0.00 C ATOM 874 CD GLU A 188 -10.516 4.618 3.189 1.00 0.00 C ATOM 875 OE1 GLU A 188 -10.104 4.088 4.243 1.00 0.00 O ATOM 876 OE2 GLU A 188 -11.510 5.368 3.083 1.00 0.00 O ATOM 0 H GLU A 188 -9.929 0.518 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 188 -9.390 3.390 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -10.430 2.286 2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -8.710 2.471 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -8.760 4.813 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -10.261 4.734 1.051 1.00 0.00 H new ATOM 883 N LYS A 189 -6.986 2.875 -0.424 1.00 0.00 N ATOM 884 CA LYS A 189 -5.590 2.542 -0.655 1.00 0.00 C ATOM 885 C LYS A 189 -4.814 2.682 0.656 1.00 0.00 C ATOM 886 O LYS A 189 -4.645 3.788 1.168 1.00 0.00 O ATOM 887 CB LYS A 189 -5.021 3.383 -1.798 1.00 0.00 C ATOM 888 CG LYS A 189 -3.905 2.633 -2.527 1.00 0.00 C ATOM 889 CD LYS A 189 -3.817 3.068 -3.991 1.00 0.00 C ATOM 890 CE LYS A 189 -4.499 2.051 -4.908 1.00 0.00 C ATOM 891 NZ LYS A 189 -4.225 2.367 -6.328 1.00 0.00 N ATOM 0 H LYS A 189 -7.242 3.832 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 189 -5.494 1.504 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -5.816 3.633 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -4.635 4.324 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -2.953 2.819 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -4.088 1.560 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -4.286 4.044 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -2.772 3.179 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -4.142 1.047 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -5.574 2.055 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -5.124 2.509 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -3.654 3.234 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -3.704 1.580 -6.765 1.00 0.00 H new ATOM 905 N TYR A 190 -4.362 1.543 1.163 1.00 0.00 N ATOM 906 CA TYR A 190 -3.607 1.525 2.404 1.00 0.00 C ATOM 907 C TYR A 190 -2.352 0.659 2.270 1.00 0.00 C ATOM 908 O TYR A 190 -2.392 -0.407 1.659 1.00 0.00 O ATOM 909 CB TYR A 190 -4.532 0.901 3.451 1.00 0.00 C ATOM 910 CG TYR A 190 -4.883 1.838 4.608 1.00 0.00 C ATOM 911 CD1 TYR A 190 -3.928 2.160 5.550 1.00 0.00 C ATOM 912 CD2 TYR A 190 -6.157 2.362 4.710 1.00 0.00 C ATOM 913 CE1 TYR A 190 -4.258 3.042 6.639 1.00 0.00 C ATOM 914 CE2 TYR A 190 -6.487 3.244 5.799 1.00 0.00 C ATOM 915 CZ TYR A 190 -5.522 3.540 6.710 1.00 0.00 C ATOM 916 OH TYR A 190 -5.834 4.374 7.739 1.00 0.00 O ATOM 0 H TYR A 190 -4.504 0.627 0.737 1.00 0.00 H new ATOM 0 HA TYR A 190 -3.288 2.532 2.674 1.00 0.00 H new ATOM 0 HB2 TYR A 190 -5.453 0.582 2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 190 -4.057 0.006 3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 190 -2.932 1.750 5.470 1.00 0.00 H new ATOM 0 HD2 TYR A 190 -6.905 2.110 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 190 -3.519 3.302 7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 190 -7.479 3.661 5.890 1.00 0.00 H new ATOM 0 HH TYR A 190 -6.770 4.653 7.662 1.00 0.00 H new