USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 102 HIS HD1 : A 102 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 140 HIS HD1 : A 140 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 108 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 127 HIS : no HD1:sc= -0.075 X(o=-0.075,f=0) USER MOD Set 2.1: A 107 HIS :FLIP no HE2:sc= -1.05 F(o=-3.8!,f=-1.6) USER MOD Set 2.2: A 109 TYR OH : rot 163:sc= -0.553 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 12:sc= 1.07 USER MOD Single : A 100 ASN : amide:sc= -2.78! C(o=-2.8!,f=-3.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.195 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.15) USER MOD Single : A 120 SER OG : rot 71:sc= 0.0436 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 GLN :FLIP amide:sc= -0.93 F(o=-1.7,f=-0.93) USER MOD Single : A 130 MET CE :methyl -165:sc= -1.95! (180deg=-2.56!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 CYS SG : rot 180:sc= 0 USER MOD Single : A 135 CYS SG : rot -70:sc= -2.4! USER MOD Single : A 137 MET CE :methyl 170:sc= 0 (180deg=-0.042) USER MOD Single : A 138 ASN : amide:sc= -0.326 K(o=-0.33,f=-2.7) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot -68:sc= 1.05 USER MOD Single : A 155 HIS : no HE2:sc= 0.117 K(o=0.12,f=-2.1) USER MOD Single : A 156 THR OG1 : rot -8:sc= 0.561! USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -20.360 18.837 -7.763 1.00 0.00 N ATOM 2 CA GLN A 94 -19.577 19.813 -6.954 1.00 0.00 C ATOM 3 C GLN A 94 -18.087 19.490 -7.066 1.00 0.00 C ATOM 4 O GLN A 94 -17.299 20.296 -7.520 1.00 0.00 O ATOM 5 CB GLN A 94 -20.010 19.725 -5.489 1.00 0.00 C ATOM 6 CG GLN A 94 -21.526 19.908 -5.391 1.00 0.00 C ATOM 7 CD GLN A 94 -21.852 21.395 -5.240 1.00 0.00 C ATOM 8 OE1 GLN A 94 -22.226 22.047 -6.195 1.00 0.00 O ATOM 9 NE2 GLN A 94 -21.725 21.963 -4.072 1.00 0.00 N ATOM 0 HA GLN A 94 -19.758 20.821 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -19.722 18.760 -5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -19.502 20.491 -4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -22.010 19.507 -6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -21.916 19.351 -4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -21.411 21.416 -3.270 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.940 22.954 -3.961 1.00 0.00 H new ATOM 20 N THR A 95 -17.693 18.315 -6.658 1.00 0.00 N ATOM 21 CA THR A 95 -16.252 17.942 -6.742 1.00 0.00 C ATOM 22 C THR A 95 -16.106 16.650 -7.550 1.00 0.00 C ATOM 23 O THR A 95 -16.503 15.587 -7.116 1.00 0.00 O ATOM 24 CB THR A 95 -15.697 17.728 -5.332 1.00 0.00 C ATOM 25 OG1 THR A 95 -16.282 16.562 -4.766 1.00 0.00 O ATOM 26 CG2 THR A 95 -16.028 18.941 -4.462 1.00 0.00 C ATOM 0 H THR A 95 -18.306 17.597 -6.270 1.00 0.00 H new ATOM 0 HA THR A 95 -15.697 18.742 -7.233 1.00 0.00 H new ATOM 0 HB THR A 95 -14.615 17.604 -5.382 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.759 16.064 -5.462 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.632 18.788 -3.458 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.579 19.834 -4.897 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.109 19.067 -4.410 1.00 0.00 H new ATOM 34 N ASP A 96 -15.539 16.733 -8.722 1.00 0.00 N ATOM 35 CA ASP A 96 -15.368 15.511 -9.556 1.00 0.00 C ATOM 36 C ASP A 96 -14.818 14.374 -8.690 1.00 0.00 C ATOM 37 O ASP A 96 -13.754 14.479 -8.113 1.00 0.00 O ATOM 38 CB ASP A 96 -14.389 15.802 -10.695 1.00 0.00 C ATOM 39 CG ASP A 96 -13.307 16.766 -10.204 1.00 0.00 C ATOM 40 OD1 ASP A 96 -12.352 16.299 -9.607 1.00 0.00 O ATOM 41 OD2 ASP A 96 -13.452 17.956 -10.437 1.00 0.00 O ATOM 0 H ASP A 96 -15.187 17.595 -9.138 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.332 15.218 -9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.934 14.875 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -14.919 16.235 -11.543 1.00 0.00 H new ATOM 46 N ASP A 97 -15.537 13.290 -8.595 1.00 0.00 N ATOM 47 CA ASP A 97 -15.057 12.146 -7.768 1.00 0.00 C ATOM 48 C ASP A 97 -14.391 11.104 -8.677 1.00 0.00 C ATOM 49 O ASP A 97 -15.058 10.462 -9.462 1.00 0.00 O ATOM 50 CB ASP A 97 -16.248 11.506 -7.051 1.00 0.00 C ATOM 51 CG ASP A 97 -17.423 11.385 -8.022 1.00 0.00 C ATOM 52 OD1 ASP A 97 -17.431 10.442 -8.797 1.00 0.00 O ATOM 53 OD2 ASP A 97 -18.295 12.236 -7.975 1.00 0.00 O ATOM 0 H ASP A 97 -16.436 13.146 -9.054 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.335 12.503 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.972 10.522 -6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.535 12.110 -6.190 1.00 0.00 H new ATOM 58 N PRO A 98 -13.094 10.967 -8.546 1.00 0.00 N ATOM 59 CA PRO A 98 -12.317 10.007 -9.351 1.00 0.00 C ATOM 60 C PRO A 98 -12.501 8.585 -8.812 1.00 0.00 C ATOM 61 O PRO A 98 -13.456 8.292 -8.122 1.00 0.00 O ATOM 62 CB PRO A 98 -10.871 10.479 -9.178 1.00 0.00 C ATOM 63 CG PRO A 98 -10.835 11.302 -7.869 1.00 0.00 C ATOM 64 CD PRO A 98 -12.282 11.748 -7.590 1.00 0.00 C ATOM 0 HA PRO A 98 -12.624 9.975 -10.396 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.189 9.630 -9.122 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.556 11.086 -10.027 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -10.449 10.702 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.177 12.165 -7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -12.571 11.540 -6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -12.405 12.820 -7.746 1.00 0.00 H new ATOM 72 N ARG A 99 -11.593 7.700 -9.122 1.00 0.00 N ATOM 73 CA ARG A 99 -11.717 6.301 -8.630 1.00 0.00 C ATOM 74 C ARG A 99 -11.211 6.227 -7.185 1.00 0.00 C ATOM 75 O ARG A 99 -11.449 7.115 -6.391 1.00 0.00 O ATOM 76 CB ARG A 99 -10.886 5.376 -9.523 1.00 0.00 C ATOM 77 CG ARG A 99 -11.198 5.670 -10.992 1.00 0.00 C ATOM 78 CD ARG A 99 -10.810 4.462 -11.848 1.00 0.00 C ATOM 79 NE ARG A 99 -12.037 3.864 -12.447 1.00 0.00 N ATOM 80 CZ ARG A 99 -11.959 3.201 -13.569 1.00 0.00 C ATOM 81 NH1 ARG A 99 -11.475 1.989 -13.577 1.00 0.00 N ATOM 82 NH2 ARG A 99 -12.366 3.750 -14.680 1.00 0.00 N ATOM 0 H ARG A 99 -10.770 7.887 -9.695 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.760 5.987 -8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.824 5.524 -9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.110 4.334 -9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.259 5.889 -11.113 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.651 6.553 -11.321 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.120 4.767 -12.635 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.292 3.722 -11.238 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.937 3.973 -11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.158 1.561 -12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.414 1.470 -14.453 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.745 4.697 -14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.305 3.232 -15.557 1.00 0.00 H new ATOM 96 N ASN A 100 -10.516 5.178 -6.835 1.00 0.00 N ATOM 97 CA ASN A 100 -10.002 5.058 -5.441 1.00 0.00 C ATOM 98 C ASN A 100 -8.733 4.203 -5.438 1.00 0.00 C ATOM 99 O ASN A 100 -8.786 2.994 -5.542 1.00 0.00 O ATOM 100 CB ASN A 100 -11.065 4.396 -4.562 1.00 0.00 C ATOM 101 CG ASN A 100 -12.413 5.084 -4.781 1.00 0.00 C ATOM 102 OD1 ASN A 100 -12.587 6.234 -4.426 1.00 0.00 O ATOM 103 ND2 ASN A 100 -13.382 4.426 -5.355 1.00 0.00 N ATOM 0 H ASN A 100 -10.283 4.401 -7.453 1.00 0.00 H new ATOM 0 HA ASN A 100 -9.773 6.050 -5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.143 3.336 -4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.777 4.463 -3.513 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -14.285 4.876 -5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -13.237 3.461 -5.653 1.00 0.00 H new ATOM 110 N LYS A 101 -7.591 4.823 -5.317 1.00 0.00 N ATOM 111 CA LYS A 101 -6.319 4.047 -5.306 1.00 0.00 C ATOM 112 C LYS A 101 -6.021 3.577 -3.880 1.00 0.00 C ATOM 113 O LYS A 101 -6.674 3.975 -2.935 1.00 0.00 O ATOM 114 CB LYS A 101 -5.176 4.936 -5.802 1.00 0.00 C ATOM 115 CG LYS A 101 -5.140 4.915 -7.330 1.00 0.00 C ATOM 116 CD LYS A 101 -5.590 6.274 -7.872 1.00 0.00 C ATOM 117 CE LYS A 101 -6.329 6.077 -9.197 1.00 0.00 C ATOM 118 NZ LYS A 101 -5.382 6.280 -10.329 1.00 0.00 N ATOM 0 H LYS A 101 -7.484 5.833 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.415 3.181 -5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.314 5.957 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.226 4.583 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.132 4.689 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.791 4.127 -7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.241 6.767 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.727 6.923 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.757 5.075 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.158 6.781 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.884 6.146 -11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.994 7.244 -10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.606 5.592 -10.260 1.00 0.00 H new ATOM 132 N HIS A 102 -5.040 2.732 -3.718 1.00 0.00 N ATOM 133 CA HIS A 102 -4.700 2.235 -2.353 1.00 0.00 C ATOM 134 C HIS A 102 -4.394 3.420 -1.435 1.00 0.00 C ATOM 135 O HIS A 102 -3.929 4.453 -1.873 1.00 0.00 O ATOM 136 CB HIS A 102 -3.460 1.341 -2.425 1.00 0.00 C ATOM 137 CG HIS A 102 -3.818 0.012 -3.027 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.515 -0.957 -2.324 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.568 -0.528 -4.264 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.660 -2.021 -3.136 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.101 -1.812 -4.331 1.00 0.00 N ATOM 0 H HIS A 102 -4.459 2.364 -4.471 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.546 1.669 -1.962 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.688 1.824 -3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.047 1.198 -1.427 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.038 -0.032 -5.064 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.167 -2.933 -2.855 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.071 -2.455 -5.122 1.00 0.00 H new ATOM 148 N LYS A 103 -4.632 3.270 -0.162 1.00 0.00 N ATOM 149 CA LYS A 103 -4.334 4.377 0.787 1.00 0.00 C ATOM 150 C LYS A 103 -2.901 4.207 1.296 1.00 0.00 C ATOM 151 O LYS A 103 -2.635 4.291 2.478 1.00 0.00 O ATOM 152 CB LYS A 103 -5.307 4.320 1.966 1.00 0.00 C ATOM 153 CG LYS A 103 -6.387 5.390 1.790 1.00 0.00 C ATOM 154 CD LYS A 103 -7.379 5.309 2.952 1.00 0.00 C ATOM 155 CE LYS A 103 -7.023 6.365 4.001 1.00 0.00 C ATOM 156 NZ LYS A 103 -7.740 6.062 5.272 1.00 0.00 N ATOM 0 H LYS A 103 -5.020 2.428 0.262 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.442 5.339 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.765 3.333 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.771 4.480 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.931 6.380 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.907 5.245 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.394 5.469 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.353 4.315 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.946 6.376 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.299 7.357 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.499 6.779 5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.766 6.073 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.456 5.122 5.615 1.00 0.00 H new ATOM 170 N PHE A 104 -1.981 3.952 0.403 1.00 0.00 N ATOM 171 CA PHE A 104 -0.561 3.755 0.812 1.00 0.00 C ATOM 172 C PHE A 104 -0.186 4.749 1.911 1.00 0.00 C ATOM 173 O PHE A 104 -0.689 5.854 1.966 1.00 0.00 O ATOM 174 CB PHE A 104 0.350 3.970 -0.400 1.00 0.00 C ATOM 175 CG PHE A 104 0.035 2.945 -1.464 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.043 1.579 -1.149 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.263 3.359 -2.771 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.246 0.629 -2.138 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.551 2.409 -3.759 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.542 1.044 -3.442 1.00 0.00 C ATOM 0 H PHE A 104 -2.155 3.871 -0.599 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.438 2.741 1.193 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.211 4.975 -0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.395 3.888 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.272 1.258 -0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.270 4.411 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.240 -0.423 -1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.780 2.728 -4.765 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.764 0.312 -4.204 1.00 0.00 H new ATOM 190 N ARG A 105 0.700 4.361 2.788 1.00 0.00 N ATOM 191 CA ARG A 105 1.117 5.275 3.887 1.00 0.00 C ATOM 192 C ARG A 105 2.576 4.992 4.247 1.00 0.00 C ATOM 193 O ARG A 105 2.884 4.032 4.924 1.00 0.00 O ATOM 194 CB ARG A 105 0.234 5.037 5.114 1.00 0.00 C ATOM 195 CG ARG A 105 0.274 6.271 6.016 1.00 0.00 C ATOM 196 CD ARG A 105 -0.987 6.315 6.881 1.00 0.00 C ATOM 197 NE ARG A 105 -1.363 7.734 7.135 1.00 0.00 N ATOM 198 CZ ARG A 105 -1.922 8.440 6.191 1.00 0.00 C ATOM 199 NH1 ARG A 105 -1.181 9.049 5.306 1.00 0.00 N ATOM 200 NH2 ARG A 105 -3.222 8.537 6.131 1.00 0.00 N ATOM 0 H ARG A 105 1.154 3.447 2.790 1.00 0.00 H new ATOM 0 HA ARG A 105 1.012 6.310 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.791 4.833 4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.582 4.161 5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.161 6.243 6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.344 7.175 5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.803 5.795 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.812 5.799 7.825 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.183 8.154 8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.165 8.973 5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.618 9.601 4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.801 8.061 6.822 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -3.659 9.089 5.393 1.00 0.00 H new ATOM 214 N LEU A 106 3.479 5.821 3.799 1.00 0.00 N ATOM 215 CA LEU A 106 4.916 5.599 4.113 1.00 0.00 C ATOM 216 C LEU A 106 5.088 5.424 5.624 1.00 0.00 C ATOM 217 O LEU A 106 4.621 6.224 6.410 1.00 0.00 O ATOM 218 CB LEU A 106 5.733 6.803 3.637 1.00 0.00 C ATOM 219 CG LEU A 106 5.491 7.988 4.570 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.286 9.199 4.079 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.000 8.331 4.588 1.00 0.00 C ATOM 0 H LEU A 106 3.282 6.643 3.228 1.00 0.00 H new ATOM 0 HA LEU A 106 5.266 4.701 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.793 6.552 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.451 7.066 2.618 1.00 0.00 H new ATOM 0 HG LEU A 106 5.815 7.725 5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.112 10.043 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.349 8.957 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.965 9.461 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.829 9.177 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.674 8.591 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.433 7.470 4.942 1.00 0.00 H new ATOM 233 N HIS A 107 5.754 4.381 6.033 1.00 0.00 N ATOM 234 CA HIS A 107 5.959 4.151 7.491 1.00 0.00 C ATOM 235 C HIS A 107 7.443 4.310 7.826 1.00 0.00 C ATOM 236 O HIS A 107 8.254 4.603 6.969 1.00 0.00 O ATOM 237 CB HIS A 107 5.504 2.736 7.855 1.00 0.00 C ATOM 238 CG HIS A 107 4.920 2.735 9.241 1.00 0.00 C ATOM 239 ND1 HIS A 107 5.369 2.204 10.424 1.00 0.00 N flip ATOM 240 CD2 HIS A 107 3.709 3.343 9.534 1.00 0.00 C flip ATOM 241 CE1 HIS A 107 4.454 2.475 11.436 1.00 0.00 C flip ATOM 242 NE2 HIS A 107 3.473 3.163 10.846 1.00 0.00 N flip ATOM 0 H HIS A 107 6.166 3.677 5.421 1.00 0.00 H new ATOM 0 HA HIS A 107 5.376 4.876 8.059 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.763 2.385 7.137 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.348 2.047 7.804 1.00 0.00 H new ATOM 0 HD1 HIS A 107 6.241 1.689 10.543 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.072 3.866 8.836 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.522 2.190 12.476 1.00 0.00 H new ATOM 250 N SER A 108 7.805 4.125 9.065 1.00 0.00 N ATOM 251 CA SER A 108 9.238 4.270 9.449 1.00 0.00 C ATOM 252 C SER A 108 9.747 2.963 10.063 1.00 0.00 C ATOM 253 O SER A 108 10.001 2.881 11.248 1.00 0.00 O ATOM 254 CB SER A 108 9.377 5.399 10.472 1.00 0.00 C ATOM 255 OG SER A 108 8.401 6.398 10.204 1.00 0.00 O ATOM 0 H SER A 108 7.173 3.880 9.827 1.00 0.00 H new ATOM 0 HA SER A 108 9.826 4.503 8.561 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.247 5.009 11.481 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.377 5.829 10.423 1.00 0.00 H new ATOM 0 HG SER A 108 8.486 7.122 10.859 1.00 0.00 H new ATOM 261 N TYR A 109 9.905 1.942 9.265 1.00 0.00 N ATOM 262 CA TYR A 109 10.405 0.646 9.806 1.00 0.00 C ATOM 263 C TYR A 109 11.933 0.685 9.879 1.00 0.00 C ATOM 264 O TYR A 109 12.585 1.310 9.065 1.00 0.00 O ATOM 265 CB TYR A 109 9.981 -0.499 8.882 1.00 0.00 C ATOM 266 CG TYR A 109 8.509 -0.388 8.563 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.558 -0.523 9.582 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.096 -0.159 7.243 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.192 -0.426 9.282 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.731 -0.064 6.943 1.00 0.00 C ATOM 271 CZ TYR A 109 5.779 -0.197 7.963 1.00 0.00 C ATOM 272 OH TYR A 109 4.434 -0.104 7.667 1.00 0.00 O ATOM 0 H TYR A 109 9.710 1.949 8.264 1.00 0.00 H new ATOM 0 HA TYR A 109 9.987 0.487 10.800 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.564 -0.469 7.962 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.187 -1.457 9.359 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.877 -0.702 10.598 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.830 -0.056 6.458 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.458 -0.528 10.068 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.412 0.112 5.926 1.00 0.00 H new ATOM 0 HH TYR A 109 4.321 0.316 6.789 1.00 0.00 H new ATOM 282 N SER A 110 12.514 0.018 10.840 1.00 0.00 N ATOM 283 CA SER A 110 14.000 0.018 10.946 1.00 0.00 C ATOM 284 C SER A 110 14.596 -0.284 9.571 1.00 0.00 C ATOM 285 O SER A 110 15.712 0.089 9.266 1.00 0.00 O ATOM 286 CB SER A 110 14.442 -1.055 11.941 1.00 0.00 C ATOM 287 OG SER A 110 14.562 -0.476 13.234 1.00 0.00 O ATOM 0 H SER A 110 12.026 -0.524 11.553 1.00 0.00 H new ATOM 0 HA SER A 110 14.345 0.992 11.292 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.718 -1.870 11.960 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.395 -1.483 11.632 1.00 0.00 H new ATOM 0 HG SER A 110 14.844 -1.162 13.875 1.00 0.00 H new ATOM 293 N SER A 111 13.851 -0.957 8.737 1.00 0.00 N ATOM 294 CA SER A 111 14.356 -1.288 7.376 1.00 0.00 C ATOM 295 C SER A 111 13.171 -1.337 6.407 1.00 0.00 C ATOM 296 O SER A 111 12.034 -1.413 6.828 1.00 0.00 O ATOM 297 CB SER A 111 15.052 -2.650 7.405 1.00 0.00 C ATOM 298 OG SER A 111 15.686 -2.825 8.666 1.00 0.00 O ATOM 0 H SER A 111 12.910 -1.293 8.942 1.00 0.00 H new ATOM 0 HA SER A 111 15.069 -0.530 7.051 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.327 -3.446 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.787 -2.713 6.603 1.00 0.00 H new ATOM 0 HG SER A 111 16.132 -3.697 8.690 1.00 0.00 H new ATOM 304 N PRO A 112 13.471 -1.290 5.136 1.00 0.00 N ATOM 305 CA PRO A 112 12.446 -1.325 4.081 1.00 0.00 C ATOM 306 C PRO A 112 11.927 -2.752 3.883 1.00 0.00 C ATOM 307 O PRO A 112 12.673 -3.709 3.933 1.00 0.00 O ATOM 308 CB PRO A 112 13.189 -0.828 2.839 1.00 0.00 C ATOM 309 CG PRO A 112 14.694 -1.071 3.105 1.00 0.00 C ATOM 310 CD PRO A 112 14.856 -1.200 4.632 1.00 0.00 C ATOM 0 HA PRO A 112 11.570 -0.719 4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.860 -1.364 1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.991 0.230 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.035 -1.975 2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.294 -0.246 2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.435 -2.084 4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.377 -0.340 5.051 1.00 0.00 H new ATOM 318 N THR A 113 10.649 -2.898 3.655 1.00 0.00 N ATOM 319 CA THR A 113 10.077 -4.257 3.451 1.00 0.00 C ATOM 320 C THR A 113 10.139 -4.605 1.966 1.00 0.00 C ATOM 321 O THR A 113 10.498 -3.788 1.144 1.00 0.00 O ATOM 322 CB THR A 113 8.621 -4.273 3.920 1.00 0.00 C ATOM 323 OG1 THR A 113 8.454 -3.330 4.970 1.00 0.00 O ATOM 324 CG2 THR A 113 8.261 -5.670 4.426 1.00 0.00 C ATOM 0 H THR A 113 9.977 -2.133 3.601 1.00 0.00 H new ATOM 0 HA THR A 113 10.648 -4.988 4.024 1.00 0.00 H new ATOM 0 HB THR A 113 7.968 -4.011 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.521 -3.337 5.271 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.223 -5.680 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.390 -6.393 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.913 -5.934 5.259 1.00 0.00 H new ATOM 332 N PHE A 114 9.797 -5.810 1.611 1.00 0.00 N ATOM 333 CA PHE A 114 9.848 -6.198 0.174 1.00 0.00 C ATOM 334 C PHE A 114 8.616 -5.651 -0.547 1.00 0.00 C ATOM 335 O PHE A 114 7.531 -5.606 0.000 1.00 0.00 O ATOM 336 CB PHE A 114 9.872 -7.723 0.052 1.00 0.00 C ATOM 337 CG PHE A 114 11.123 -8.267 0.701 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.181 -8.419 2.092 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.224 -8.624 -0.091 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.340 -8.928 2.693 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.382 -9.132 0.511 1.00 0.00 C ATOM 342 CZ PHE A 114 13.441 -9.285 1.903 1.00 0.00 C ATOM 0 H PHE A 114 9.485 -6.541 2.250 1.00 0.00 H new ATOM 0 HA PHE A 114 10.749 -5.784 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.989 -8.149 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.840 -8.014 -0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.333 -8.144 2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 114 12.179 -8.507 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 114 12.385 -9.045 3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.231 -9.406 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.334 -9.678 2.366 1.00 0.00 H new ATOM 352 N CYS A 115 8.777 -5.232 -1.771 1.00 0.00 N ATOM 353 CA CYS A 115 7.624 -4.683 -2.536 1.00 0.00 C ATOM 354 C CYS A 115 6.742 -5.835 -3.021 1.00 0.00 C ATOM 355 O CYS A 115 7.222 -6.890 -3.385 1.00 0.00 O ATOM 356 CB CYS A 115 8.154 -3.884 -3.725 1.00 0.00 C ATOM 357 SG CYS A 115 6.782 -3.233 -4.705 1.00 0.00 S ATOM 0 H CYS A 115 9.663 -5.247 -2.277 1.00 0.00 H new ATOM 0 HA CYS A 115 7.028 -4.028 -1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.778 -3.064 -3.371 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.785 -4.519 -4.347 1.00 0.00 H new ATOM 362 N ASP A 116 5.453 -5.645 -3.014 1.00 0.00 N ATOM 363 CA ASP A 116 4.531 -6.734 -3.457 1.00 0.00 C ATOM 364 C ASP A 116 4.227 -6.593 -4.949 1.00 0.00 C ATOM 365 O ASP A 116 3.773 -7.521 -5.589 1.00 0.00 O ATOM 366 CB ASP A 116 3.226 -6.647 -2.662 1.00 0.00 C ATOM 367 CG ASP A 116 2.652 -5.234 -2.777 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.583 -4.731 -3.886 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.291 -4.678 -1.752 1.00 0.00 O ATOM 0 H ASP A 116 4.995 -4.782 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 116 5.008 -7.698 -3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.508 -7.375 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.408 -6.893 -1.616 1.00 0.00 H new ATOM 374 N HIS A 117 4.464 -5.441 -5.508 1.00 0.00 N ATOM 375 CA HIS A 117 4.179 -5.244 -6.957 1.00 0.00 C ATOM 376 C HIS A 117 5.409 -5.629 -7.784 1.00 0.00 C ATOM 377 O HIS A 117 5.294 -6.035 -8.923 1.00 0.00 O ATOM 378 CB HIS A 117 3.834 -3.776 -7.214 1.00 0.00 C ATOM 379 CG HIS A 117 3.775 -3.527 -8.696 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.635 -3.780 -9.444 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.706 -3.048 -9.584 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.907 -3.454 -10.720 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.156 -3.002 -10.861 1.00 0.00 N ATOM 0 H HIS A 117 4.843 -4.626 -5.025 1.00 0.00 H new ATOM 0 HA HIS A 117 3.338 -5.874 -7.246 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.876 -3.531 -6.755 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.582 -3.130 -6.755 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.713 -2.752 -9.330 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.201 -3.546 -11.532 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.609 -2.690 -11.720 1.00 0.00 H new ATOM 391 N CYS A 118 6.584 -5.510 -7.226 1.00 0.00 N ATOM 392 CA CYS A 118 7.804 -5.875 -8.000 1.00 0.00 C ATOM 393 C CYS A 118 8.649 -6.868 -7.196 1.00 0.00 C ATOM 394 O CYS A 118 9.706 -7.285 -7.627 1.00 0.00 O ATOM 395 CB CYS A 118 8.624 -4.617 -8.289 1.00 0.00 C ATOM 396 SG CYS A 118 9.139 -3.859 -6.730 1.00 0.00 S ATOM 0 H CYS A 118 6.751 -5.179 -6.276 1.00 0.00 H new ATOM 0 HA CYS A 118 7.508 -6.337 -8.942 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.498 -4.870 -8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.032 -3.910 -8.871 1.00 0.00 H new ATOM 401 N GLY A 119 8.192 -7.255 -6.036 1.00 0.00 N ATOM 402 CA GLY A 119 8.973 -8.225 -5.215 1.00 0.00 C ATOM 403 C GLY A 119 10.425 -7.757 -5.105 1.00 0.00 C ATOM 404 O GLY A 119 11.345 -8.478 -5.436 1.00 0.00 O ATOM 0 H GLY A 119 7.314 -6.943 -5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.533 -8.312 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.933 -9.215 -5.669 1.00 0.00 H new ATOM 408 N SER A 120 10.638 -6.558 -4.642 1.00 0.00 N ATOM 409 CA SER A 120 12.032 -6.046 -4.509 1.00 0.00 C ATOM 410 C SER A 120 12.147 -5.198 -3.240 1.00 0.00 C ATOM 411 O SER A 120 11.349 -4.314 -3.000 1.00 0.00 O ATOM 412 CB SER A 120 12.378 -5.191 -5.728 1.00 0.00 C ATOM 413 OG SER A 120 12.617 -6.039 -6.843 1.00 0.00 O ATOM 0 H SER A 120 9.908 -5.909 -4.349 1.00 0.00 H new ATOM 0 HA SER A 120 12.723 -6.886 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.561 -4.503 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.260 -4.584 -5.522 1.00 0.00 H new ATOM 0 HG SER A 120 11.772 -6.437 -7.139 1.00 0.00 H new ATOM 419 N LEU A 121 13.134 -5.460 -2.427 1.00 0.00 N ATOM 420 CA LEU A 121 13.297 -4.667 -1.177 1.00 0.00 C ATOM 421 C LEU A 121 13.239 -3.174 -1.498 1.00 0.00 C ATOM 422 O LEU A 121 13.922 -2.688 -2.377 1.00 0.00 O ATOM 423 CB LEU A 121 14.642 -4.996 -0.527 1.00 0.00 C ATOM 424 CG LEU A 121 14.460 -6.151 0.457 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.809 -6.826 0.708 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.906 -5.609 1.778 1.00 0.00 C ATOM 0 H LEU A 121 13.833 -6.188 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 121 12.490 -4.920 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.371 -5.266 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.032 -4.120 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 121 13.764 -6.879 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.679 -7.650 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.204 -7.210 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.507 -6.100 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.775 -6.431 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.604 -4.882 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.944 -5.128 1.599 1.00 0.00 H new ATOM 438 N LEU A 122 12.428 -2.446 -0.785 1.00 0.00 N ATOM 439 CA LEU A 122 12.319 -0.981 -1.037 1.00 0.00 C ATOM 440 C LEU A 122 13.620 -0.294 -0.618 1.00 0.00 C ATOM 441 O LEU A 122 13.776 0.124 0.512 1.00 0.00 O ATOM 442 CB LEU A 122 11.156 -0.409 -0.223 1.00 0.00 C ATOM 443 CG LEU A 122 9.883 -1.202 -0.520 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.977 -1.197 0.712 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.144 -0.556 -1.696 1.00 0.00 C ATOM 0 H LEU A 122 11.834 -2.802 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 122 12.141 -0.807 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.386 -0.456 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.008 0.642 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 122 10.147 -2.229 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.070 -1.763 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.501 -1.655 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.713 -0.170 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.236 -1.120 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.882 0.471 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.788 -0.558 -2.576 1.00 0.00 H new ATOM 457 N TYR A 123 14.554 -0.172 -1.521 1.00 0.00 N ATOM 458 CA TYR A 123 15.843 0.491 -1.170 1.00 0.00 C ATOM 459 C TYR A 123 15.557 1.864 -0.560 1.00 0.00 C ATOM 460 O TYR A 123 14.422 2.214 -0.300 1.00 0.00 O ATOM 461 CB TYR A 123 16.692 0.660 -2.431 1.00 0.00 C ATOM 462 CG TYR A 123 16.844 -0.674 -3.121 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.220 -1.806 -2.385 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.611 -0.781 -4.498 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.362 -3.044 -3.026 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.752 -2.019 -5.139 1.00 0.00 C ATOM 467 CZ TYR A 123 17.129 -3.150 -4.403 1.00 0.00 C ATOM 468 OH TYR A 123 17.269 -4.369 -5.034 1.00 0.00 O ATOM 0 H TYR A 123 14.481 -0.501 -2.484 1.00 0.00 H new ATOM 0 HA TYR A 123 16.384 -0.123 -0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.223 1.378 -3.104 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.672 1.060 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.400 -1.724 -1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.323 0.091 -5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.651 -3.916 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.570 -2.101 -6.200 1.00 0.00 H new ATOM 0 HH TYR A 123 17.070 -4.268 -5.988 1.00 0.00 H new ATOM 478 N GLY A 124 16.575 2.646 -0.330 1.00 0.00 N ATOM 479 CA GLY A 124 16.357 3.996 0.262 1.00 0.00 C ATOM 480 C GLY A 124 15.504 4.837 -0.689 1.00 0.00 C ATOM 481 O GLY A 124 14.997 5.881 -0.326 1.00 0.00 O ATOM 0 H GLY A 124 17.548 2.409 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 124 15.861 3.905 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.314 4.486 0.439 1.00 0.00 H new ATOM 485 N LEU A 125 15.341 4.392 -1.905 1.00 0.00 N ATOM 486 CA LEU A 125 14.522 5.166 -2.880 1.00 0.00 C ATOM 487 C LEU A 125 13.233 5.640 -2.204 1.00 0.00 C ATOM 488 O LEU A 125 12.649 6.634 -2.591 1.00 0.00 O ATOM 489 CB LEU A 125 14.171 4.273 -4.072 1.00 0.00 C ATOM 490 CG LEU A 125 15.365 4.200 -5.026 1.00 0.00 C ATOM 491 CD1 LEU A 125 15.151 3.064 -6.027 1.00 0.00 C ATOM 492 CD2 LEU A 125 15.495 5.525 -5.781 1.00 0.00 C ATOM 0 H LEU A 125 15.740 3.525 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 125 15.090 6.030 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.907 3.274 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.300 4.670 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 125 16.275 4.014 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 125 16.002 3.013 -6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.057 2.120 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.241 3.249 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 125 16.345 5.474 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.585 5.710 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.648 6.336 -5.069 1.00 0.00 H new ATOM 504 N VAL A 126 12.783 4.940 -1.199 1.00 0.00 N ATOM 505 CA VAL A 126 11.532 5.356 -0.504 1.00 0.00 C ATOM 506 C VAL A 126 11.752 5.330 1.010 1.00 0.00 C ATOM 507 O VAL A 126 12.713 4.771 1.497 1.00 0.00 O ATOM 508 CB VAL A 126 10.400 4.393 -0.871 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.367 4.198 -2.389 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.640 3.044 -0.190 1.00 0.00 C ATOM 0 H VAL A 126 13.227 4.099 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 126 11.266 6.367 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 126 9.448 4.806 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.561 3.512 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.198 5.159 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.318 3.784 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.835 2.357 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.592 2.631 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.665 3.181 0.891 1.00 0.00 H new ATOM 520 N HIS A 127 10.867 5.933 1.756 1.00 0.00 N ATOM 521 CA HIS A 127 11.023 5.943 3.239 1.00 0.00 C ATOM 522 C HIS A 127 10.577 4.593 3.805 1.00 0.00 C ATOM 523 O HIS A 127 9.491 4.460 4.333 1.00 0.00 O ATOM 524 CB HIS A 127 10.160 7.058 3.833 1.00 0.00 C ATOM 525 CG HIS A 127 10.545 7.282 5.268 1.00 0.00 C ATOM 526 ND1 HIS A 127 9.603 7.412 6.275 1.00 0.00 N ATOM 527 CD2 HIS A 127 11.768 7.404 5.880 1.00 0.00 C ATOM 528 CE1 HIS A 127 10.266 7.602 7.429 1.00 0.00 C ATOM 529 NE2 HIS A 127 11.590 7.606 7.245 1.00 0.00 N ATOM 0 H HIS A 127 10.043 6.419 1.403 1.00 0.00 H new ATOM 0 HA HIS A 127 12.068 6.117 3.496 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.292 7.977 3.263 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.105 6.790 3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 127 12.723 7.351 5.378 1.00 0.00 H new ATOM 0 HE1 HIS A 127 9.787 7.735 8.388 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.314 7.730 7.953 1.00 0.00 H new ATOM 537 N GLN A 128 11.409 3.592 3.698 1.00 0.00 N ATOM 538 CA GLN A 128 11.044 2.243 4.224 1.00 0.00 C ATOM 539 C GLN A 128 10.090 1.552 3.246 1.00 0.00 C ATOM 540 O GLN A 128 10.478 0.660 2.517 1.00 0.00 O ATOM 541 CB GLN A 128 10.373 2.381 5.597 1.00 0.00 C ATOM 542 CG GLN A 128 11.141 3.396 6.449 1.00 0.00 C ATOM 543 CD GLN A 128 12.644 3.132 6.339 1.00 0.00 C ATOM 544 OE1 GLN A 128 13.108 1.946 6.622 1.00 0.00 O flip ATOM 545 NE2 GLN A 128 13.404 4.014 5.989 1.00 0.00 N flip ATOM 0 H GLN A 128 12.331 3.650 3.266 1.00 0.00 H new ATOM 0 HA GLN A 128 11.948 1.643 4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.339 2.703 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 128 10.350 1.414 6.100 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.915 4.409 6.116 1.00 0.00 H new ATOM 0 HG3 GLN A 128 10.825 3.324 7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.042 4.941 5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 128 14.404 3.827 5.917 1.00 0.00 H new ATOM 554 N GLY A 129 8.847 1.952 3.217 1.00 0.00 N ATOM 555 CA GLY A 129 7.881 1.311 2.281 1.00 0.00 C ATOM 556 C GLY A 129 6.499 1.944 2.462 1.00 0.00 C ATOM 557 O GLY A 129 6.125 2.336 3.549 1.00 0.00 O ATOM 0 H GLY A 129 8.460 2.694 3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.218 1.436 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.830 0.239 2.472 1.00 0.00 H new ATOM 561 N MET A 130 5.738 2.043 1.405 1.00 0.00 N ATOM 562 CA MET A 130 4.381 2.648 1.525 1.00 0.00 C ATOM 563 C MET A 130 3.367 1.550 1.849 1.00 0.00 C ATOM 564 O MET A 130 2.971 0.785 0.993 1.00 0.00 O ATOM 565 CB MET A 130 4.004 3.324 0.204 1.00 0.00 C ATOM 566 CG MET A 130 5.255 3.935 -0.435 1.00 0.00 C ATOM 567 SD MET A 130 6.149 4.920 0.793 1.00 0.00 S ATOM 568 CE MET A 130 5.576 6.548 0.245 1.00 0.00 C ATOM 0 H MET A 130 5.996 1.733 0.468 1.00 0.00 H new ATOM 0 HA MET A 130 4.380 3.392 2.322 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.555 2.597 -0.473 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.258 4.099 0.380 1.00 0.00 H new ATOM 0 HG2 MET A 130 5.900 3.146 -0.822 1.00 0.00 H new ATOM 0 HG3 MET A 130 4.974 4.561 -1.282 1.00 0.00 H new ATOM 0 HE1 MET A 130 6.203 7.322 0.687 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.637 6.608 -0.842 1.00 0.00 H new ATOM 0 HE3 MET A 130 4.543 6.695 0.559 1.00 0.00 H new ATOM 578 N LYS A 131 2.949 1.464 3.083 1.00 0.00 N ATOM 579 CA LYS A 131 1.967 0.410 3.464 1.00 0.00 C ATOM 580 C LYS A 131 0.546 0.957 3.344 1.00 0.00 C ATOM 581 O LYS A 131 0.211 1.979 3.910 1.00 0.00 O ATOM 582 CB LYS A 131 2.224 -0.024 4.907 1.00 0.00 C ATOM 583 CG LYS A 131 1.327 -1.217 5.250 1.00 0.00 C ATOM 584 CD LYS A 131 1.919 -1.975 6.440 1.00 0.00 C ATOM 585 CE LYS A 131 1.461 -1.319 7.744 1.00 0.00 C ATOM 586 NZ LYS A 131 1.310 -2.362 8.798 1.00 0.00 N ATOM 0 H LYS A 131 3.245 2.077 3.842 1.00 0.00 H new ATOM 0 HA LYS A 131 2.080 -0.445 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.272 -0.295 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.023 0.803 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.321 -0.872 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.241 -1.880 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.602 -3.018 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.007 -1.971 6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.186 -0.569 8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 131 0.514 -0.802 7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.999 -1.917 9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.603 -3.062 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.223 -2.836 8.951 1.00 0.00 H new ATOM 600 N CYS A 132 -0.294 0.278 2.616 1.00 0.00 N ATOM 601 CA CYS A 132 -1.697 0.748 2.461 1.00 0.00 C ATOM 602 C CYS A 132 -2.398 0.697 3.818 1.00 0.00 C ATOM 603 O CYS A 132 -2.437 -0.329 4.470 1.00 0.00 O ATOM 604 CB CYS A 132 -2.430 -0.155 1.470 1.00 0.00 C ATOM 605 SG CYS A 132 -4.157 0.367 1.335 1.00 0.00 S ATOM 0 H CYS A 132 -0.069 -0.585 2.120 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.702 1.772 2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.948 -0.107 0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.378 -1.192 1.801 1.00 0.00 H new ATOM 610 N SER A 133 -2.951 1.796 4.251 1.00 0.00 N ATOM 611 CA SER A 133 -3.646 1.813 5.570 1.00 0.00 C ATOM 612 C SER A 133 -5.087 1.318 5.407 1.00 0.00 C ATOM 613 O SER A 133 -6.000 1.824 6.028 1.00 0.00 O ATOM 614 CB SER A 133 -3.658 3.241 6.118 1.00 0.00 C ATOM 615 OG SER A 133 -3.260 3.224 7.483 1.00 0.00 O ATOM 0 H SER A 133 -2.952 2.684 3.749 1.00 0.00 H new ATOM 0 HA SER A 133 -3.118 1.157 6.263 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.983 3.871 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.655 3.671 6.023 1.00 0.00 H new ATOM 0 HG SER A 133 -3.265 4.138 7.837 1.00 0.00 H new ATOM 621 N CYS A 134 -5.300 0.330 4.580 1.00 0.00 N ATOM 622 CA CYS A 134 -6.679 -0.195 4.384 1.00 0.00 C ATOM 623 C CYS A 134 -6.612 -1.681 4.022 1.00 0.00 C ATOM 624 O CYS A 134 -7.429 -2.471 4.451 1.00 0.00 O ATOM 625 CB CYS A 134 -7.364 0.575 3.254 1.00 0.00 C ATOM 626 SG CYS A 134 -9.102 0.850 3.678 1.00 0.00 S ATOM 0 H CYS A 134 -4.577 -0.136 4.032 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.249 -0.070 5.305 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.862 1.529 3.094 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.290 0.015 2.321 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.684 1.507 2.719 1.00 0.00 H new ATOM 632 N CYS A 135 -5.647 -2.066 3.232 1.00 0.00 N ATOM 633 CA CYS A 135 -5.532 -3.499 2.839 1.00 0.00 C ATOM 634 C CYS A 135 -4.138 -4.024 3.198 1.00 0.00 C ATOM 635 O CYS A 135 -3.816 -5.169 2.949 1.00 0.00 O ATOM 636 CB CYS A 135 -5.751 -3.631 1.330 1.00 0.00 C ATOM 637 SG CYS A 135 -4.355 -2.886 0.449 1.00 0.00 S ATOM 0 H CYS A 135 -4.934 -1.450 2.842 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.285 -4.080 3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.848 -4.682 1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.680 -3.139 1.042 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.395 -1.594 0.586 1.00 0.00 H new ATOM 642 N GLU A 136 -3.308 -3.200 3.778 1.00 0.00 N ATOM 643 CA GLU A 136 -1.939 -3.660 4.145 1.00 0.00 C ATOM 644 C GLU A 136 -1.178 -4.049 2.877 1.00 0.00 C ATOM 645 O GLU A 136 -0.989 -5.214 2.585 1.00 0.00 O ATOM 646 CB GLU A 136 -2.037 -4.872 5.076 1.00 0.00 C ATOM 647 CG GLU A 136 -2.731 -4.463 6.376 1.00 0.00 C ATOM 648 CD GLU A 136 -2.033 -5.136 7.560 1.00 0.00 C ATOM 649 OE1 GLU A 136 -1.655 -6.287 7.423 1.00 0.00 O ATOM 650 OE2 GLU A 136 -1.888 -4.487 8.584 1.00 0.00 O ATOM 0 H GLU A 136 -3.519 -2.230 4.013 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.410 -2.855 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.595 -5.673 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.041 -5.261 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.702 -3.379 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.781 -4.753 6.347 1.00 0.00 H new ATOM 657 N MET A 137 -0.742 -3.081 2.119 1.00 0.00 N ATOM 658 CA MET A 137 0.006 -3.388 0.866 1.00 0.00 C ATOM 659 C MET A 137 1.245 -2.496 0.780 1.00 0.00 C ATOM 660 O MET A 137 1.149 -1.297 0.604 1.00 0.00 O ATOM 661 CB MET A 137 -0.899 -3.122 -0.339 1.00 0.00 C ATOM 662 CG MET A 137 -0.518 -4.061 -1.485 1.00 0.00 C ATOM 663 SD MET A 137 -2.017 -4.797 -2.182 1.00 0.00 S ATOM 664 CE MET A 137 -1.408 -4.993 -3.875 1.00 0.00 C ATOM 0 H MET A 137 -0.872 -2.088 2.313 1.00 0.00 H new ATOM 0 HA MET A 137 0.313 -4.434 0.870 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.943 -3.274 -0.063 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.801 -2.084 -0.658 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.023 -3.512 -2.256 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.150 -4.843 -1.123 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.113 -5.596 -4.448 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.307 -4.013 -4.341 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.437 -5.488 -3.857 1.00 0.00 H new ATOM 674 N ASN A 138 2.412 -3.067 0.902 1.00 0.00 N ATOM 675 CA ASN A 138 3.654 -2.247 0.828 1.00 0.00 C ATOM 676 C ASN A 138 4.125 -2.163 -0.625 1.00 0.00 C ATOM 677 O ASN A 138 4.330 -3.165 -1.281 1.00 0.00 O ATOM 678 CB ASN A 138 4.746 -2.897 1.681 1.00 0.00 C ATOM 679 CG ASN A 138 4.209 -3.150 3.091 1.00 0.00 C ATOM 680 OD1 ASN A 138 4.042 -2.228 3.865 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.928 -4.370 3.460 1.00 0.00 N ATOM 0 H ASN A 138 2.559 -4.065 1.050 1.00 0.00 H new ATOM 0 HA ASN A 138 3.449 -1.244 1.202 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.066 -3.836 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.622 -2.250 1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.568 -4.549 4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.068 -5.144 2.811 1.00 0.00 H new ATOM 688 N VAL A 139 4.295 -0.973 -1.136 1.00 0.00 N ATOM 689 CA VAL A 139 4.751 -0.827 -2.547 1.00 0.00 C ATOM 690 C VAL A 139 5.833 0.251 -2.630 1.00 0.00 C ATOM 691 O VAL A 139 6.136 0.921 -1.660 1.00 0.00 O ATOM 692 CB VAL A 139 3.567 -0.421 -3.426 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.580 -1.585 -3.527 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.863 0.788 -2.806 1.00 0.00 C ATOM 0 H VAL A 139 4.138 -0.097 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 139 5.157 -1.777 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 139 3.928 -0.163 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.737 -1.294 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.079 -2.448 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.220 -1.844 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.019 1.078 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.504 0.529 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.564 1.620 -2.734 1.00 0.00 H new ATOM 704 N HIS A 140 6.415 0.423 -3.786 1.00 0.00 N ATOM 705 CA HIS A 140 7.477 1.456 -3.948 1.00 0.00 C ATOM 706 C HIS A 140 6.824 2.819 -4.178 1.00 0.00 C ATOM 707 O HIS A 140 5.623 2.925 -4.326 1.00 0.00 O ATOM 708 CB HIS A 140 8.344 1.106 -5.161 1.00 0.00 C ATOM 709 CG HIS A 140 9.360 0.066 -4.778 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.244 -1.259 -5.168 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.518 0.142 -4.047 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.306 -1.921 -4.675 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.115 -1.114 -3.984 1.00 0.00 N ATOM 0 H HIS A 140 6.199 -0.110 -4.628 1.00 0.00 H new ATOM 0 HA HIS A 140 8.095 1.488 -3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.718 0.734 -5.972 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.847 2.000 -5.530 1.00 0.00 H new ATOM 0 HD2 HIS A 140 10.907 1.040 -3.590 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.483 -2.976 -4.820 1.00 0.00 H new ATOM 0 HE2 HIS A 140 11.984 -1.364 -3.512 1.00 0.00 H new ATOM 720 N ARG A 141 7.606 3.863 -4.220 1.00 0.00 N ATOM 721 CA ARG A 141 7.030 5.213 -4.454 1.00 0.00 C ATOM 722 C ARG A 141 6.857 5.417 -5.961 1.00 0.00 C ATOM 723 O ARG A 141 6.144 6.295 -6.405 1.00 0.00 O ATOM 724 CB ARG A 141 7.982 6.272 -3.890 1.00 0.00 C ATOM 725 CG ARG A 141 7.610 7.645 -4.448 1.00 0.00 C ATOM 726 CD ARG A 141 7.684 8.689 -3.333 1.00 0.00 C ATOM 727 NE ARG A 141 6.594 9.688 -3.518 1.00 0.00 N ATOM 728 CZ ARG A 141 6.824 10.788 -4.182 1.00 0.00 C ATOM 729 NH1 ARG A 141 7.782 11.590 -3.806 1.00 0.00 N ATOM 730 NH2 ARG A 141 6.094 11.087 -5.221 1.00 0.00 N ATOM 0 H ARG A 141 8.619 3.837 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 141 6.063 5.303 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 141 7.926 6.283 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 141 9.011 6.028 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 141 8.287 7.915 -5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.605 7.618 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.589 8.206 -2.361 1.00 0.00 H new ATOM 0 HD3 ARG A 141 8.654 9.186 -3.348 1.00 0.00 H new ATOM 0 HE ARG A 141 5.669 9.512 -3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 141 8.352 11.358 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 141 7.961 12.449 -4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 141 5.344 10.461 -5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 141 6.273 11.947 -5.740 1.00 0.00 H new ATOM 744 N ARG A 142 7.505 4.603 -6.749 1.00 0.00 N ATOM 745 CA ARG A 142 7.385 4.734 -8.227 1.00 0.00 C ATOM 746 C ARG A 142 6.587 3.548 -8.776 1.00 0.00 C ATOM 747 O ARG A 142 6.320 3.462 -9.958 1.00 0.00 O ATOM 748 CB ARG A 142 8.781 4.742 -8.855 1.00 0.00 C ATOM 749 CG ARG A 142 9.760 5.469 -7.931 1.00 0.00 C ATOM 750 CD ARG A 142 9.542 6.980 -8.040 1.00 0.00 C ATOM 751 NE ARG A 142 10.525 7.553 -9.000 1.00 0.00 N ATOM 752 CZ ARG A 142 11.802 7.354 -8.821 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.274 7.194 -7.614 1.00 0.00 N ATOM 754 NH2 ARG A 142 12.608 7.315 -9.847 1.00 0.00 N ATOM 0 H ARG A 142 8.115 3.850 -6.430 1.00 0.00 H new ATOM 0 HA ARG A 142 6.873 5.665 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.119 3.720 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.750 5.234 -9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.614 5.144 -6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.786 5.219 -8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 142 8.526 7.189 -8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 142 9.658 7.447 -7.062 1.00 0.00 H new ATOM 0 HE ARG A 142 10.201 8.101 -9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.644 7.225 -6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.272 7.038 -7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 142 12.240 7.440 -10.790 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.606 7.159 -9.706 1.00 0.00 H new ATOM 768 N CYS A 143 6.206 2.633 -7.926 1.00 0.00 N ATOM 769 CA CYS A 143 5.427 1.454 -8.399 1.00 0.00 C ATOM 770 C CYS A 143 3.933 1.780 -8.345 1.00 0.00 C ATOM 771 O CYS A 143 3.130 1.173 -9.026 1.00 0.00 O ATOM 772 CB CYS A 143 5.716 0.254 -7.495 1.00 0.00 C ATOM 773 SG CYS A 143 7.227 -0.571 -8.051 1.00 0.00 S ATOM 0 H CYS A 143 6.401 2.651 -6.925 1.00 0.00 H new ATOM 0 HA CYS A 143 5.714 1.215 -9.423 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.828 0.582 -6.462 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.878 -0.443 -7.519 1.00 0.00 H new ATOM 778 N VAL A 144 3.556 2.736 -7.543 1.00 0.00 N ATOM 779 CA VAL A 144 2.115 3.103 -7.449 1.00 0.00 C ATOM 780 C VAL A 144 1.638 3.624 -8.808 1.00 0.00 C ATOM 781 O VAL A 144 0.485 3.489 -9.165 1.00 0.00 O ATOM 782 CB VAL A 144 1.934 4.195 -6.393 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.515 4.759 -6.476 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.164 3.598 -5.002 1.00 0.00 C ATOM 0 H VAL A 144 4.183 3.279 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 144 1.532 2.226 -7.167 1.00 0.00 H new ATOM 0 HB VAL A 144 2.652 4.995 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.388 5.537 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.349 5.182 -7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.205 3.960 -6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.036 4.374 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.445 2.798 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.175 3.196 -4.941 1.00 0.00 H new ATOM 794 N ARG A 145 2.520 4.216 -9.567 1.00 0.00 N ATOM 795 CA ARG A 145 2.119 4.745 -10.901 1.00 0.00 C ATOM 796 C ARG A 145 1.871 3.580 -11.859 1.00 0.00 C ATOM 797 O ARG A 145 1.191 3.715 -12.856 1.00 0.00 O ATOM 798 CB ARG A 145 3.237 5.632 -11.455 1.00 0.00 C ATOM 799 CG ARG A 145 2.650 6.972 -11.903 1.00 0.00 C ATOM 800 CD ARG A 145 2.983 7.208 -13.377 1.00 0.00 C ATOM 801 NE ARG A 145 4.380 7.710 -13.497 1.00 0.00 N ATOM 802 CZ ARG A 145 5.317 6.929 -13.961 1.00 0.00 C ATOM 803 NH1 ARG A 145 5.953 6.122 -13.155 1.00 0.00 N ATOM 804 NH2 ARG A 145 5.620 6.953 -15.230 1.00 0.00 N ATOM 0 H ARG A 145 3.500 4.356 -9.321 1.00 0.00 H new ATOM 0 HA ARG A 145 1.206 5.332 -10.799 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.999 5.793 -10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.726 5.138 -12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.570 6.974 -11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 145 3.055 7.780 -11.294 1.00 0.00 H new ATOM 0 HD2 ARG A 145 2.869 6.281 -13.939 1.00 0.00 H new ATOM 0 HD3 ARG A 145 2.288 7.929 -13.807 1.00 0.00 H new ATOM 0 HE ARG A 145 4.605 8.665 -13.216 1.00 0.00 H new ATOM 0 HH11 ARG A 145 5.717 6.102 -12.163 1.00 0.00 H new ATOM 0 HH12 ARG A 145 6.685 5.512 -13.518 1.00 0.00 H new ATOM 0 HH21 ARG A 145 5.124 7.583 -15.861 1.00 0.00 H new ATOM 0 HH22 ARG A 145 6.353 6.342 -15.591 1.00 0.00 H new ATOM 818 N SER A 146 2.417 2.436 -11.560 1.00 0.00 N ATOM 819 CA SER A 146 2.214 1.257 -12.447 1.00 0.00 C ATOM 820 C SER A 146 1.101 0.377 -11.875 1.00 0.00 C ATOM 821 O SER A 146 0.619 -0.531 -12.522 1.00 0.00 O ATOM 822 CB SER A 146 3.510 0.449 -12.528 1.00 0.00 C ATOM 823 OG SER A 146 4.598 1.330 -12.781 1.00 0.00 O ATOM 0 H SER A 146 2.996 2.265 -10.738 1.00 0.00 H new ATOM 0 HA SER A 146 1.935 1.596 -13.445 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.674 -0.092 -11.596 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.439 -0.296 -13.320 1.00 0.00 H new ATOM 0 HG SER A 146 5.431 0.816 -12.832 1.00 0.00 H new ATOM 829 N VAL A 147 0.686 0.642 -10.666 1.00 0.00 N ATOM 830 CA VAL A 147 -0.397 -0.178 -10.054 1.00 0.00 C ATOM 831 C VAL A 147 -1.759 0.383 -10.484 1.00 0.00 C ATOM 832 O VAL A 147 -1.997 1.569 -10.368 1.00 0.00 O ATOM 833 CB VAL A 147 -0.279 -0.115 -8.529 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.314 -1.045 -7.894 1.00 0.00 C ATOM 835 CG2 VAL A 147 1.125 -0.557 -8.109 1.00 0.00 C ATOM 0 H VAL A 147 1.050 1.390 -10.076 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.307 -1.213 -10.384 1.00 0.00 H new ATOM 0 HB VAL A 147 -0.457 0.907 -8.195 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.228 -0.998 -6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.315 -0.733 -8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.138 -2.067 -8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 147 1.211 -0.513 -7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.301 -1.579 -8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.865 0.105 -8.559 1.00 0.00 H new ATOM 845 N PRO A 148 -2.617 -0.483 -10.967 1.00 0.00 N ATOM 846 CA PRO A 148 -3.964 -0.094 -11.422 1.00 0.00 C ATOM 847 C PRO A 148 -4.905 0.094 -10.225 1.00 0.00 C ATOM 848 O PRO A 148 -6.096 0.268 -10.385 1.00 0.00 O ATOM 849 CB PRO A 148 -4.410 -1.278 -12.283 1.00 0.00 C ATOM 850 CG PRO A 148 -3.569 -2.493 -11.822 1.00 0.00 C ATOM 851 CD PRO A 148 -2.326 -1.926 -11.110 1.00 0.00 C ATOM 0 HA PRO A 148 -3.973 0.851 -11.965 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.475 -1.472 -12.156 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.248 -1.072 -13.341 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.144 -3.129 -11.149 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.280 -3.109 -12.673 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.172 -2.399 -10.140 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.421 -2.094 -11.694 1.00 0.00 H new ATOM 859 N SER A 149 -4.379 0.062 -9.030 1.00 0.00 N ATOM 860 CA SER A 149 -5.243 0.239 -7.829 1.00 0.00 C ATOM 861 C SER A 149 -6.228 -0.928 -7.729 1.00 0.00 C ATOM 862 O SER A 149 -7.291 -0.909 -8.316 1.00 0.00 O ATOM 863 CB SER A 149 -6.019 1.551 -7.947 1.00 0.00 C ATOM 864 OG SER A 149 -7.321 1.378 -7.404 1.00 0.00 O ATOM 0 H SER A 149 -3.388 -0.079 -8.834 1.00 0.00 H new ATOM 0 HA SER A 149 -4.619 0.264 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 149 -5.494 2.346 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.086 1.855 -8.992 1.00 0.00 H new ATOM 0 HG SER A 149 -7.836 0.771 -7.976 1.00 0.00 H new ATOM 870 N LEU A 150 -5.881 -1.944 -6.987 1.00 0.00 N ATOM 871 CA LEU A 150 -6.796 -3.111 -6.847 1.00 0.00 C ATOM 872 C LEU A 150 -7.196 -3.267 -5.378 1.00 0.00 C ATOM 873 O LEU A 150 -7.160 -4.349 -4.826 1.00 0.00 O ATOM 874 CB LEU A 150 -6.083 -4.380 -7.318 1.00 0.00 C ATOM 875 CG LEU A 150 -4.594 -4.284 -6.980 1.00 0.00 C ATOM 876 CD1 LEU A 150 -4.003 -5.690 -6.867 1.00 0.00 C ATOM 877 CD2 LEU A 150 -3.869 -3.514 -8.086 1.00 0.00 C ATOM 0 H LEU A 150 -5.004 -2.016 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.687 -2.950 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.520 -5.255 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.215 -4.507 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 150 -4.471 -3.762 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -2.942 -5.621 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -4.519 -6.239 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -4.126 -6.214 -7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -2.808 -3.445 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -3.993 -4.036 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.289 -2.511 -8.166 1.00 0.00 H new ATOM 889 N CYS A 151 -7.574 -2.193 -4.740 1.00 0.00 N ATOM 890 CA CYS A 151 -7.972 -2.279 -3.307 1.00 0.00 C ATOM 891 C CYS A 151 -9.494 -2.399 -3.205 1.00 0.00 C ATOM 892 O CYS A 151 -10.229 -1.615 -3.774 1.00 0.00 O ATOM 893 CB CYS A 151 -7.509 -1.019 -2.574 1.00 0.00 C ATOM 894 SG CYS A 151 -7.240 -1.402 -0.826 1.00 0.00 S ATOM 0 H CYS A 151 -7.624 -1.260 -5.149 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.509 -3.155 -2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.589 -0.643 -3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.256 -0.232 -2.674 1.00 0.00 H new ATOM 899 N GLY A 152 -9.974 -3.374 -2.482 1.00 0.00 N ATOM 900 CA GLY A 152 -11.448 -3.543 -2.343 1.00 0.00 C ATOM 901 C GLY A 152 -11.808 -5.026 -2.456 1.00 0.00 C ATOM 902 O GLY A 152 -12.914 -5.431 -2.156 1.00 0.00 O ATOM 0 H GLY A 152 -9.409 -4.060 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -11.780 -3.150 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -11.964 -2.973 -3.116 1.00 0.00 H new ATOM 906 N VAL A 153 -10.882 -5.841 -2.884 1.00 0.00 N ATOM 907 CA VAL A 153 -11.175 -7.297 -3.014 1.00 0.00 C ATOM 908 C VAL A 153 -10.225 -8.089 -2.112 1.00 0.00 C ATOM 909 O VAL A 153 -9.026 -7.901 -2.140 1.00 0.00 O ATOM 910 CB VAL A 153 -10.975 -7.728 -4.468 1.00 0.00 C ATOM 911 CG1 VAL A 153 -9.484 -7.705 -4.807 1.00 0.00 C ATOM 912 CG2 VAL A 153 -11.518 -9.147 -4.657 1.00 0.00 C ATOM 0 H VAL A 153 -9.937 -5.562 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 153 -12.206 -7.490 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 153 -11.508 -7.042 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -9.342 -8.012 -5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -9.095 -6.696 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -8.951 -8.391 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -11.376 -9.456 -5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -10.984 -9.832 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -12.581 -9.165 -4.415 1.00 0.00 H new ATOM 922 N ASP A 154 -10.754 -8.974 -1.311 1.00 0.00 N ATOM 923 CA ASP A 154 -9.882 -9.777 -0.409 1.00 0.00 C ATOM 924 C ASP A 154 -10.660 -10.991 0.104 1.00 0.00 C ATOM 925 O ASP A 154 -11.836 -10.910 0.397 1.00 0.00 O ATOM 926 CB ASP A 154 -9.444 -8.915 0.778 1.00 0.00 C ATOM 927 CG ASP A 154 -8.007 -8.436 0.557 1.00 0.00 C ATOM 928 OD1 ASP A 154 -7.360 -8.956 -0.336 1.00 0.00 O ATOM 929 OD2 ASP A 154 -7.580 -7.556 1.286 1.00 0.00 O ATOM 0 H ASP A 154 -11.752 -9.175 -1.243 1.00 0.00 H new ATOM 0 HA ASP A 154 -9.003 -10.113 -0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -10.111 -8.060 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -9.509 -9.489 1.702 1.00 0.00 H new ATOM 934 N HIS A 155 -10.012 -12.119 0.214 1.00 0.00 N ATOM 935 CA HIS A 155 -10.715 -13.337 0.709 1.00 0.00 C ATOM 936 C HIS A 155 -10.222 -13.674 2.117 1.00 0.00 C ATOM 937 O HIS A 155 -9.039 -13.672 2.388 1.00 0.00 O ATOM 938 CB HIS A 155 -10.432 -14.517 -0.228 1.00 0.00 C ATOM 939 CG HIS A 155 -9.078 -14.352 -0.864 1.00 0.00 C ATOM 940 ND1 HIS A 155 -7.907 -14.349 -0.122 1.00 0.00 N ATOM 941 CD2 HIS A 155 -8.693 -14.185 -2.172 1.00 0.00 C ATOM 942 CE1 HIS A 155 -6.884 -14.183 -0.981 1.00 0.00 C ATOM 943 NE2 HIS A 155 -7.307 -14.078 -2.243 1.00 0.00 N ATOM 0 H HIS A 155 -9.027 -12.250 -0.017 1.00 0.00 H new ATOM 0 HA HIS A 155 -11.788 -13.147 0.734 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.470 -15.453 0.330 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -11.201 -14.574 -0.998 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -7.834 -14.453 0.890 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -9.364 -14.143 -3.017 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -5.846 -14.140 -0.685 1.00 0.00 H new ATOM 951 N THR A 156 -11.122 -13.960 3.018 1.00 0.00 N ATOM 952 CA THR A 156 -10.703 -14.294 4.409 1.00 0.00 C ATOM 953 C THR A 156 -10.907 -15.791 4.657 1.00 0.00 C ATOM 954 O THR A 156 -11.979 -16.325 4.450 1.00 0.00 O ATOM 955 CB THR A 156 -11.548 -13.493 5.403 1.00 0.00 C ATOM 956 OG1 THR A 156 -12.817 -14.115 5.552 1.00 0.00 O ATOM 957 CG2 THR A 156 -11.735 -12.066 4.884 1.00 0.00 C ATOM 0 H THR A 156 -12.128 -13.977 2.851 1.00 0.00 H new ATOM 0 HA THR A 156 -9.651 -14.043 4.542 1.00 0.00 H new ATOM 0 HB THR A 156 -11.042 -13.462 6.368 1.00 0.00 H new ATOM 0 HG1 THR A 156 -12.905 -14.839 4.898 1.00 0.00 H new ATOM 0 HG21 THR A 156 -12.337 -11.497 5.593 1.00 0.00 H new ATOM 0 HG22 THR A 156 -10.761 -11.590 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 156 -12.240 -12.093 3.919 1.00 0.00 H new ATOM 965 N GLU A 157 -9.885 -16.472 5.098 1.00 0.00 N ATOM 966 CA GLU A 157 -10.019 -17.933 5.359 1.00 0.00 C ATOM 967 C GLU A 157 -9.445 -18.259 6.738 1.00 0.00 C ATOM 968 O GLU A 157 -8.251 -18.420 6.902 1.00 0.00 O ATOM 969 CB GLU A 157 -9.254 -18.714 4.289 1.00 0.00 C ATOM 970 CG GLU A 157 -9.884 -18.457 2.919 1.00 0.00 C ATOM 971 CD GLU A 157 -8.981 -19.031 1.825 1.00 0.00 C ATOM 972 OE1 GLU A 157 -7.982 -18.402 1.518 1.00 0.00 O ATOM 973 OE2 GLU A 157 -9.305 -20.090 1.313 1.00 0.00 O ATOM 0 H GLU A 157 -8.963 -16.080 5.289 1.00 0.00 H new ATOM 0 HA GLU A 157 -11.072 -18.213 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -8.207 -18.411 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -9.276 -19.780 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -10.871 -18.917 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -10.023 -17.387 2.766 1.00 0.00 H new ATOM 980 N ARG A 158 -10.283 -18.359 7.733 1.00 0.00 N ATOM 981 CA ARG A 158 -9.782 -18.674 9.101 1.00 0.00 C ATOM 982 C ARG A 158 -10.314 -20.040 9.538 1.00 0.00 C ATOM 983 O ARG A 158 -10.546 -20.282 10.705 1.00 0.00 O ATOM 984 CB ARG A 158 -10.266 -17.602 10.080 1.00 0.00 C ATOM 985 CG ARG A 158 -10.302 -16.245 9.376 1.00 0.00 C ATOM 986 CD ARG A 158 -9.632 -15.193 10.260 1.00 0.00 C ATOM 987 NE ARG A 158 -8.967 -14.173 9.401 1.00 0.00 N ATOM 988 CZ ARG A 158 -8.827 -12.948 9.832 1.00 0.00 C ATOM 989 NH1 ARG A 158 -7.903 -12.666 10.709 1.00 0.00 N ATOM 990 NH2 ARG A 158 -9.612 -12.006 9.384 1.00 0.00 N ATOM 0 H ARG A 158 -11.293 -18.236 7.658 1.00 0.00 H new ATOM 0 HA ARG A 158 -8.692 -18.695 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -11.258 -17.856 10.453 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -9.603 -17.558 10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -9.790 -16.308 8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -11.333 -15.958 9.169 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -10.373 -14.716 10.902 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -8.900 -15.666 10.915 1.00 0.00 H new ATOM 0 HE ARG A 158 -8.621 -14.431 8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -7.290 -13.402 11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -7.794 -11.709 11.045 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -10.334 -12.227 8.698 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -9.504 -11.049 9.720 1.00 0.00 H new ATOM 1004 N ARG A 159 -10.510 -20.936 8.609 1.00 0.00 N ATOM 1005 CA ARG A 159 -11.027 -22.285 8.973 1.00 0.00 C ATOM 1006 C ARG A 159 -10.317 -23.347 8.132 1.00 0.00 C ATOM 1007 O ARG A 159 -10.518 -24.520 8.402 1.00 0.00 O ATOM 1008 CB ARG A 159 -12.532 -22.345 8.705 1.00 0.00 C ATOM 1009 CG ARG A 159 -13.202 -21.094 9.280 1.00 0.00 C ATOM 1010 CD ARG A 159 -14.676 -21.391 9.565 1.00 0.00 C ATOM 1011 NE ARG A 159 -15.150 -20.522 10.678 1.00 0.00 N ATOM 1012 CZ ARG A 159 -15.323 -21.025 11.870 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -14.316 -21.557 12.507 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -16.503 -20.994 12.426 1.00 0.00 N ATOM 1015 OXT ARG A 159 -9.583 -22.970 7.233 1.00 0.00 O ATOM 0 H ARG A 159 -10.334 -20.792 7.615 1.00 0.00 H new ATOM 0 HA ARG A 159 -10.839 -22.472 10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -12.719 -22.411 7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -12.958 -23.240 9.159 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -12.698 -20.787 10.196 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -13.116 -20.266 8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -15.274 -21.214 8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -14.802 -22.441 9.830 1.00 0.00 H new ATOM 0 HE ARG A 159 -15.339 -19.534 10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -13.393 -21.580 12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -14.452 -21.950 13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -17.290 -20.577 11.929 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -16.638 -21.387 13.357 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -4.823 -1.288 -0.460 1.00 0.45 ZN HETATM 1031 ZN ZN A 2 8.024 -1.929 -6.283 1.00 0.29 ZN