USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, 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 127 HIS :FLIP no HD1:sc= -0.606 F(o=-12,f=-11) USER MOD Set 1.2: A 128 GLN :FLIP amide:sc= -10.4! C(o=-12!,f=-11!) USER MOD Set 2.1: A 107 HIS :FLIP no HE2:sc= -15.3! C(o=-16!,f=-15!) USER MOD Set 2.2: A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0522 K(o=-0.052,f=-0.91) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.1!) USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.217) USER MOD Single : A 103 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.114) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.538 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.659 X(o=-0.66,f=-0.31) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -135:sc= -9.24! (180deg=-12.3!) 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 29:sc= -0.871 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -2.57 K(o=-2.6,f=-10!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot -54:sc= 0.274 USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 THR OG1 : rot 46:sc= 0.0299! USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -14.573 19.205 -12.274 1.00 0.00 N ATOM 2 CA GLN A 94 -13.773 20.391 -11.855 1.00 0.00 C ATOM 3 C GLN A 94 -12.562 19.928 -11.045 1.00 0.00 C ATOM 4 O GLN A 94 -11.464 20.421 -11.213 1.00 0.00 O ATOM 5 CB GLN A 94 -14.640 21.313 -10.995 1.00 0.00 C ATOM 6 CG GLN A 94 -16.084 21.273 -11.497 1.00 0.00 C ATOM 7 CD GLN A 94 -16.861 22.456 -10.913 1.00 0.00 C ATOM 8 OE1 GLN A 94 -16.354 23.558 -10.848 1.00 0.00 O ATOM 9 NE2 GLN A 94 -18.079 22.271 -10.480 1.00 0.00 N ATOM 0 HA GLN A 94 -13.434 20.932 -12.739 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -14.598 21.000 -9.952 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.257 22.333 -11.037 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.103 21.314 -12.586 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -16.556 20.335 -11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -18.505 21.346 -10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -18.605 23.052 -10.087 1.00 0.00 H new ATOM 20 N THR A 95 -12.752 18.983 -10.165 1.00 0.00 N ATOM 21 CA THR A 95 -11.610 18.489 -9.345 1.00 0.00 C ATOM 22 C THR A 95 -11.549 16.962 -9.420 1.00 0.00 C ATOM 23 O THR A 95 -12.509 16.311 -9.782 1.00 0.00 O ATOM 24 CB THR A 95 -11.805 18.920 -7.889 1.00 0.00 C ATOM 25 OG1 THR A 95 -13.024 18.381 -7.397 1.00 0.00 O ATOM 26 CG2 THR A 95 -11.850 20.446 -7.809 1.00 0.00 C ATOM 0 H THR A 95 -13.648 18.532 -9.979 1.00 0.00 H new ATOM 0 HA THR A 95 -10.680 18.908 -9.728 1.00 0.00 H new ATOM 0 HB THR A 95 -10.975 18.552 -7.286 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.150 18.654 -6.464 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.989 20.752 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.914 20.858 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.679 20.818 -8.411 1.00 0.00 H new ATOM 34 N ASP A 96 -10.430 16.386 -9.081 1.00 0.00 N ATOM 35 CA ASP A 96 -10.310 14.902 -9.133 1.00 0.00 C ATOM 36 C ASP A 96 -10.218 14.349 -7.710 1.00 0.00 C ATOM 37 O ASP A 96 -9.759 15.014 -6.803 1.00 0.00 O ATOM 38 CB ASP A 96 -9.049 14.520 -9.911 1.00 0.00 C ATOM 39 CG ASP A 96 -7.923 15.499 -9.575 1.00 0.00 C ATOM 40 OD1 ASP A 96 -7.546 15.561 -8.416 1.00 0.00 O ATOM 41 OD2 ASP A 96 -7.457 16.170 -10.480 1.00 0.00 O ATOM 0 H ASP A 96 -9.593 16.879 -8.770 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.185 14.483 -9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.748 13.503 -9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.251 14.536 -10.982 1.00 0.00 H new ATOM 46 N ASP A 97 -10.653 13.135 -7.507 1.00 0.00 N ATOM 47 CA ASP A 97 -10.591 12.541 -6.143 1.00 0.00 C ATOM 48 C ASP A 97 -10.386 11.027 -6.254 1.00 0.00 C ATOM 49 O ASP A 97 -10.775 10.421 -7.233 1.00 0.00 O ATOM 50 CB ASP A 97 -11.899 12.827 -5.401 1.00 0.00 C ATOM 51 CG ASP A 97 -11.883 14.262 -4.874 1.00 0.00 C ATOM 52 OD1 ASP A 97 -11.105 14.534 -3.975 1.00 0.00 O ATOM 53 OD2 ASP A 97 -12.651 15.065 -5.378 1.00 0.00 O ATOM 0 H ASP A 97 -11.048 12.530 -8.227 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.759 12.980 -5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.748 12.683 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.022 12.126 -4.575 1.00 0.00 H new ATOM 58 N PRO A 98 -9.780 10.461 -5.242 1.00 0.00 N ATOM 59 CA PRO A 98 -9.503 9.016 -5.188 1.00 0.00 C ATOM 60 C PRO A 98 -10.771 8.244 -4.810 1.00 0.00 C ATOM 61 O PRO A 98 -11.205 8.260 -3.676 1.00 0.00 O ATOM 62 CB PRO A 98 -8.444 8.895 -4.088 1.00 0.00 C ATOM 63 CG PRO A 98 -8.586 10.157 -3.205 1.00 0.00 C ATOM 64 CD PRO A 98 -9.313 11.213 -4.058 1.00 0.00 C ATOM 0 HA PRO A 98 -9.170 8.607 -6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.597 7.990 -3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -7.444 8.831 -4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.151 9.935 -2.300 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -7.608 10.521 -2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.146 11.659 -3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.645 12.026 -4.340 1.00 0.00 H new ATOM 72 N ARG A 99 -11.369 7.567 -5.753 1.00 0.00 N ATOM 73 CA ARG A 99 -12.606 6.797 -5.445 1.00 0.00 C ATOM 74 C ARG A 99 -12.290 5.299 -5.444 1.00 0.00 C ATOM 75 O ARG A 99 -13.171 4.471 -5.327 1.00 0.00 O ATOM 76 CB ARG A 99 -13.670 7.093 -6.505 1.00 0.00 C ATOM 77 CG ARG A 99 -14.824 7.868 -5.868 1.00 0.00 C ATOM 78 CD ARG A 99 -16.156 7.315 -6.379 1.00 0.00 C ATOM 79 NE ARG A 99 -16.963 8.423 -6.964 1.00 0.00 N ATOM 80 CZ ARG A 99 -17.667 8.218 -8.044 1.00 0.00 C ATOM 81 NH1 ARG A 99 -17.095 8.264 -9.216 1.00 0.00 N ATOM 82 NH2 ARG A 99 -18.945 7.968 -7.952 1.00 0.00 N ATOM 0 H ARG A 99 -11.054 7.514 -6.722 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.979 7.090 -4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.235 7.672 -7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.038 6.162 -6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -14.776 7.784 -4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.741 8.928 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.978 6.545 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.703 6.844 -5.563 1.00 0.00 H new ATOM 0 HE ARG A 99 -16.965 9.342 -6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.097 8.460 -9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.646 8.104 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.393 7.933 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -19.495 7.808 -8.796 1.00 0.00 H new ATOM 96 N ASN A 100 -11.041 4.948 -5.569 1.00 0.00 N ATOM 97 CA ASN A 100 -10.665 3.504 -5.574 1.00 0.00 C ATOM 98 C ASN A 100 -9.141 3.376 -5.560 1.00 0.00 C ATOM 99 O ASN A 100 -8.570 2.570 -6.268 1.00 0.00 O ATOM 100 CB ASN A 100 -11.220 2.833 -6.832 1.00 0.00 C ATOM 101 CG ASN A 100 -12.619 2.285 -6.547 1.00 0.00 C ATOM 102 OD1 ASN A 100 -13.562 2.597 -7.248 1.00 0.00 O ATOM 103 ND2 ASN A 100 -12.797 1.476 -5.538 1.00 0.00 N ATOM 0 H ASN A 100 -10.262 5.599 -5.668 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.081 3.018 -4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.260 3.550 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.559 2.025 -7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -13.727 1.106 -5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -12.007 1.214 -4.949 1.00 0.00 H new ATOM 110 N LYS A 101 -8.478 4.165 -4.762 1.00 0.00 N ATOM 111 CA LYS A 101 -6.991 4.088 -4.705 1.00 0.00 C ATOM 112 C LYS A 101 -6.561 3.584 -3.328 1.00 0.00 C ATOM 113 O LYS A 101 -7.261 3.750 -2.348 1.00 0.00 O ATOM 114 CB LYS A 101 -6.397 5.478 -4.947 1.00 0.00 C ATOM 115 CG LYS A 101 -7.094 6.131 -6.141 1.00 0.00 C ATOM 116 CD LYS A 101 -6.045 6.594 -7.155 1.00 0.00 C ATOM 117 CE LYS A 101 -6.744 7.147 -8.397 1.00 0.00 C ATOM 118 NZ LYS A 101 -7.004 8.604 -8.215 1.00 0.00 N ATOM 0 H LYS A 101 -8.901 4.860 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.633 3.402 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.519 6.097 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.326 5.400 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.778 5.423 -6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.692 6.979 -5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.409 7.360 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.397 5.761 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.124 6.985 -9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.682 6.618 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.753 8.908 -8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.307 8.783 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.134 9.139 -8.412 1.00 0.00 H new ATOM 132 N HIS A 102 -5.413 2.970 -3.243 1.00 0.00 N ATOM 133 CA HIS A 102 -4.939 2.458 -1.927 1.00 0.00 C ATOM 134 C HIS A 102 -4.607 3.639 -1.014 1.00 0.00 C ATOM 135 O HIS A 102 -4.253 4.708 -1.470 1.00 0.00 O ATOM 136 CB HIS A 102 -3.680 1.612 -2.128 1.00 0.00 C ATOM 137 CG HIS A 102 -3.972 0.473 -3.066 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.480 -0.739 -2.624 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.816 0.340 -4.423 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.609 -1.541 -3.698 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.220 -0.931 -4.820 1.00 0.00 N ATOM 0 H HIS A 102 -4.783 2.801 -4.027 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.721 1.848 -1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.877 2.229 -2.531 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.334 1.225 -1.169 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.437 1.106 -5.083 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.982 -2.554 -3.657 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.219 -1.314 -5.765 1.00 0.00 H new ATOM 148 N LYS A 103 -4.703 3.452 0.273 1.00 0.00 N ATOM 149 CA LYS A 103 -4.375 4.562 1.212 1.00 0.00 C ATOM 150 C LYS A 103 -2.887 4.487 1.547 1.00 0.00 C ATOM 151 O LYS A 103 -2.489 4.572 2.691 1.00 0.00 O ATOM 152 CB LYS A 103 -5.201 4.412 2.492 1.00 0.00 C ATOM 153 CG LYS A 103 -4.985 5.636 3.386 1.00 0.00 C ATOM 154 CD LYS A 103 -6.329 6.093 3.958 1.00 0.00 C ATOM 155 CE LYS A 103 -6.155 7.448 4.645 1.00 0.00 C ATOM 156 NZ LYS A 103 -6.085 8.522 3.615 1.00 0.00 N ATOM 0 H LYS A 103 -4.994 2.580 0.715 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.606 5.523 0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.258 4.311 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.909 3.505 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.297 5.392 4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.528 6.443 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.069 6.169 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.703 5.357 4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.988 7.634 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.247 7.448 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.205 9.449 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.161 8.487 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.840 8.381 2.914 1.00 0.00 H new ATOM 170 N PHE A 104 -2.067 4.311 0.547 1.00 0.00 N ATOM 171 CA PHE A 104 -0.600 4.204 0.779 1.00 0.00 C ATOM 172 C PHE A 104 -0.155 5.193 1.854 1.00 0.00 C ATOM 173 O PHE A 104 -0.534 6.348 1.852 1.00 0.00 O ATOM 174 CB PHE A 104 0.143 4.512 -0.522 1.00 0.00 C ATOM 175 CG PHE A 104 0.082 3.313 -1.436 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.391 2.039 -0.942 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.284 3.476 -2.777 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.334 0.927 -1.792 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.340 2.364 -3.628 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.031 1.090 -3.135 1.00 0.00 C ATOM 0 H PHE A 104 -2.354 4.236 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.371 3.191 1.111 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.303 5.378 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.181 4.767 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.673 1.914 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.523 4.459 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.571 -0.056 -1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.621 2.489 -4.663 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.074 0.233 -3.790 1.00 0.00 H new ATOM 190 N ARG A 105 0.659 4.744 2.767 1.00 0.00 N ATOM 191 CA ARG A 105 1.151 5.643 3.845 1.00 0.00 C ATOM 192 C ARG A 105 2.600 5.276 4.162 1.00 0.00 C ATOM 193 O ARG A 105 2.866 4.363 4.918 1.00 0.00 O ATOM 194 CB ARG A 105 0.290 5.465 5.097 1.00 0.00 C ATOM 195 CG ARG A 105 0.325 6.749 5.929 1.00 0.00 C ATOM 196 CD ARG A 105 -1.104 7.234 6.181 1.00 0.00 C ATOM 197 NE ARG A 105 -1.079 8.383 7.130 1.00 0.00 N ATOM 198 CZ ARG A 105 -2.125 9.155 7.247 1.00 0.00 C ATOM 199 NH1 ARG A 105 -3.324 8.651 7.146 1.00 0.00 N ATOM 200 NH2 ARG A 105 -1.971 10.433 7.464 1.00 0.00 N ATOM 0 H ARG A 105 1.007 3.786 2.812 1.00 0.00 H new ATOM 0 HA ARG A 105 1.092 6.682 3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.736 5.230 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.658 4.626 5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.831 6.567 6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.894 7.518 5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.568 7.534 5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.708 6.424 6.590 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.245 8.566 7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.445 7.653 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.141 9.255 7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.034 10.828 7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.788 11.037 7.556 1.00 0.00 H new ATOM 214 N LEU A 106 3.542 5.972 3.585 1.00 0.00 N ATOM 215 CA LEU A 106 4.964 5.649 3.856 1.00 0.00 C ATOM 216 C LEU A 106 5.152 5.464 5.360 1.00 0.00 C ATOM 217 O LEU A 106 4.855 6.338 6.150 1.00 0.00 O ATOM 218 CB LEU A 106 5.859 6.783 3.342 1.00 0.00 C ATOM 219 CG LEU A 106 5.710 8.009 4.237 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.565 9.152 3.685 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.244 8.443 4.272 1.00 0.00 C ATOM 0 H LEU A 106 3.385 6.747 2.941 1.00 0.00 H new ATOM 0 HA LEU A 106 5.241 4.729 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.899 6.458 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.588 7.035 2.317 1.00 0.00 H new ATOM 0 HG LEU A 106 6.040 7.761 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.458 10.028 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.611 8.845 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.236 9.398 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.139 9.319 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.913 8.689 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.633 7.631 4.666 1.00 0.00 H new ATOM 233 N HIS A 107 5.632 4.324 5.762 1.00 0.00 N ATOM 234 CA HIS A 107 5.834 4.070 7.218 1.00 0.00 C ATOM 235 C HIS A 107 7.325 4.158 7.536 1.00 0.00 C ATOM 236 O HIS A 107 8.149 3.726 6.765 1.00 0.00 O ATOM 237 CB HIS A 107 5.312 2.676 7.572 1.00 0.00 C ATOM 238 CG HIS A 107 5.551 1.741 6.420 1.00 0.00 C ATOM 239 ND1 HIS A 107 6.676 1.081 5.990 1.00 0.00 N flip ATOM 240 CD2 HIS A 107 4.545 1.389 5.534 1.00 0.00 C flip ATOM 241 CE1 HIS A 107 6.375 0.329 4.858 1.00 0.00 C flip ATOM 242 NE2 HIS A 107 5.078 0.551 4.626 1.00 0.00 N flip ATOM 0 H HIS A 107 5.895 3.554 5.147 1.00 0.00 H new ATOM 0 HA HIS A 107 5.290 4.813 7.801 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.814 2.305 8.465 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.247 2.723 7.801 1.00 0.00 H new ATOM 0 HD1 HIS A 107 7.593 1.134 6.433 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.519 1.726 5.566 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.045 -0.299 4.290 1.00 0.00 H new ATOM 250 N SER A 108 7.681 4.720 8.657 1.00 0.00 N ATOM 251 CA SER A 108 9.128 4.836 8.996 1.00 0.00 C ATOM 252 C SER A 108 9.591 3.590 9.755 1.00 0.00 C ATOM 253 O SER A 108 9.517 3.524 10.966 1.00 0.00 O ATOM 254 CB SER A 108 9.350 6.075 9.865 1.00 0.00 C ATOM 255 OG SER A 108 8.381 7.061 9.533 1.00 0.00 O ATOM 0 H SER A 108 7.038 5.102 9.350 1.00 0.00 H new ATOM 0 HA SER A 108 9.704 4.926 8.075 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.272 5.812 10.920 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.354 6.468 9.708 1.00 0.00 H new ATOM 0 HG SER A 108 8.519 7.856 10.089 1.00 0.00 H new ATOM 261 N TYR A 109 10.083 2.606 9.051 1.00 0.00 N ATOM 262 CA TYR A 109 10.567 1.368 9.725 1.00 0.00 C ATOM 263 C TYR A 109 12.061 1.509 10.017 1.00 0.00 C ATOM 264 O TYR A 109 12.633 2.573 9.884 1.00 0.00 O ATOM 265 CB TYR A 109 10.362 0.162 8.802 1.00 0.00 C ATOM 266 CG TYR A 109 8.889 -0.119 8.604 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.927 0.508 9.409 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.486 -1.020 7.609 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.566 0.233 9.218 1.00 0.00 C ATOM 270 CE2 TYR A 109 7.127 -1.294 7.417 1.00 0.00 C ATOM 271 CZ TYR A 109 6.166 -0.669 8.221 1.00 0.00 C ATOM 272 OH TYR A 109 4.826 -0.939 8.032 1.00 0.00 O ATOM 0 H TYR A 109 10.171 2.607 8.035 1.00 0.00 H new ATOM 0 HA TYR A 109 10.011 1.222 10.651 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.833 0.352 7.838 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.850 -0.715 9.228 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.235 1.203 10.176 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.226 -1.504 6.989 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.825 0.716 9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.819 -1.988 6.648 1.00 0.00 H new ATOM 0 HH TYR A 109 4.722 -1.584 7.301 1.00 0.00 H new ATOM 282 N SER A 110 12.703 0.438 10.393 1.00 0.00 N ATOM 283 CA SER A 110 14.164 0.502 10.672 1.00 0.00 C ATOM 284 C SER A 110 14.921 0.196 9.379 1.00 0.00 C ATOM 285 O SER A 110 16.081 0.522 9.229 1.00 0.00 O ATOM 286 CB SER A 110 14.529 -0.532 11.738 1.00 0.00 C ATOM 287 OG SER A 110 13.619 -0.429 12.825 1.00 0.00 O ATOM 0 H SER A 110 12.278 -0.480 10.519 1.00 0.00 H new ATOM 0 HA SER A 110 14.431 1.495 11.035 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.495 -1.536 11.314 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.549 -0.368 12.086 1.00 0.00 H new ATOM 0 HG SER A 110 13.850 -1.092 13.509 1.00 0.00 H new ATOM 293 N SER A 111 14.259 -0.425 8.442 1.00 0.00 N ATOM 294 CA SER A 111 14.912 -0.760 7.146 1.00 0.00 C ATOM 295 C SER A 111 13.828 -0.927 6.076 1.00 0.00 C ATOM 296 O SER A 111 12.662 -1.033 6.395 1.00 0.00 O ATOM 297 CB SER A 111 15.696 -2.063 7.291 1.00 0.00 C ATOM 298 OG SER A 111 16.168 -2.182 8.627 1.00 0.00 O ATOM 0 H SER A 111 13.285 -0.717 8.520 1.00 0.00 H new ATOM 0 HA SER A 111 15.597 0.038 6.857 1.00 0.00 H new ATOM 0 HB2 SER A 111 15.061 -2.913 7.041 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.534 -2.076 6.595 1.00 0.00 H new ATOM 0 HG SER A 111 16.670 -3.018 8.723 1.00 0.00 H new ATOM 304 N PRO A 112 14.244 -0.941 4.837 1.00 0.00 N ATOM 305 CA PRO A 112 13.324 -1.090 3.699 1.00 0.00 C ATOM 306 C PRO A 112 12.873 -2.545 3.548 1.00 0.00 C ATOM 307 O PRO A 112 13.673 -3.459 3.512 1.00 0.00 O ATOM 308 CB PRO A 112 14.157 -0.632 2.498 1.00 0.00 C ATOM 309 CG PRO A 112 15.639 -0.776 2.912 1.00 0.00 C ATOM 310 CD PRO A 112 15.666 -0.812 4.454 1.00 0.00 C ATOM 0 HA PRO A 112 12.406 -0.513 3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.939 -1.240 1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.926 0.401 2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 112 16.071 -1.686 2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 112 16.230 0.058 2.534 1.00 0.00 H new ATOM 0 HD2 PRO A 112 16.256 -1.651 4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 112 16.109 0.095 4.866 1.00 0.00 H new ATOM 318 N THR A 113 11.588 -2.757 3.456 1.00 0.00 N ATOM 319 CA THR A 113 11.057 -4.141 3.304 1.00 0.00 C ATOM 320 C THR A 113 10.978 -4.480 1.821 1.00 0.00 C ATOM 321 O THR A 113 11.344 -3.693 0.977 1.00 0.00 O ATOM 322 CB THR A 113 9.658 -4.212 3.919 1.00 0.00 C ATOM 323 OG1 THR A 113 9.562 -3.274 4.983 1.00 0.00 O ATOM 324 CG2 THR A 113 9.401 -5.620 4.456 1.00 0.00 C ATOM 0 H THR A 113 10.878 -2.025 3.480 1.00 0.00 H new ATOM 0 HA THR A 113 11.713 -4.850 3.809 1.00 0.00 H new ATOM 0 HB THR A 113 8.916 -3.977 3.156 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.666 -3.317 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.404 -5.666 4.893 1.00 0.00 H new ATOM 0 HG22 THR A 113 9.473 -6.339 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.143 -5.860 5.218 1.00 0.00 H new ATOM 332 N PHE A 114 10.508 -5.643 1.492 1.00 0.00 N ATOM 333 CA PHE A 114 10.417 -6.014 0.053 1.00 0.00 C ATOM 334 C PHE A 114 9.182 -5.352 -0.564 1.00 0.00 C ATOM 335 O PHE A 114 8.487 -4.594 0.082 1.00 0.00 O ATOM 336 CB PHE A 114 10.307 -7.535 -0.080 1.00 0.00 C ATOM 337 CG PHE A 114 11.609 -8.171 0.339 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.875 -8.391 1.697 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.552 -8.542 -0.628 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.083 -8.982 2.088 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.762 -9.132 -0.238 1.00 0.00 C ATOM 342 CZ PHE A 114 14.027 -9.352 1.121 1.00 0.00 C ATOM 0 H PHE A 114 10.184 -6.352 2.149 1.00 0.00 H new ATOM 0 HA PHE A 114 11.311 -5.673 -0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.492 -7.907 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 114 10.073 -7.805 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.148 -8.105 2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 114 12.347 -8.373 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.287 -9.153 3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.490 -9.417 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.959 -9.807 1.423 1.00 0.00 H new ATOM 352 N CYS A 115 8.911 -5.620 -1.813 1.00 0.00 N ATOM 353 CA CYS A 115 7.730 -4.989 -2.468 1.00 0.00 C ATOM 354 C CYS A 115 6.835 -6.067 -3.084 1.00 0.00 C ATOM 355 O CYS A 115 7.293 -6.955 -3.776 1.00 0.00 O ATOM 356 CB CYS A 115 8.221 -4.029 -3.553 1.00 0.00 C ATOM 357 SG CYS A 115 6.852 -3.539 -4.629 1.00 0.00 S ATOM 0 H CYS A 115 9.455 -6.247 -2.406 1.00 0.00 H new ATOM 0 HA CYS A 115 7.149 -4.439 -1.728 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.664 -3.146 -3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.003 -4.507 -4.143 1.00 0.00 H new ATOM 362 N ASP A 116 5.557 -5.987 -2.828 1.00 0.00 N ATOM 363 CA ASP A 116 4.613 -7.001 -3.385 1.00 0.00 C ATOM 364 C ASP A 116 4.114 -6.554 -4.758 1.00 0.00 C ATOM 365 O ASP A 116 2.978 -6.783 -5.125 1.00 0.00 O ATOM 366 CB ASP A 116 3.416 -7.154 -2.453 1.00 0.00 C ATOM 367 CG ASP A 116 2.975 -5.781 -1.944 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.727 -4.917 -2.769 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.893 -5.617 -0.739 1.00 0.00 O ATOM 0 H ASP A 116 5.124 -5.262 -2.256 1.00 0.00 H new ATOM 0 HA ASP A 116 5.137 -7.952 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.593 -7.638 -2.980 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.678 -7.796 -1.612 1.00 0.00 H new ATOM 374 N HIS A 117 4.955 -5.924 -5.515 1.00 0.00 N ATOM 375 CA HIS A 117 4.547 -5.461 -6.870 1.00 0.00 C ATOM 376 C HIS A 117 5.685 -5.733 -7.852 1.00 0.00 C ATOM 377 O HIS A 117 5.467 -6.138 -8.976 1.00 0.00 O ATOM 378 CB HIS A 117 4.248 -3.961 -6.832 1.00 0.00 C ATOM 379 CG HIS A 117 4.002 -3.462 -8.229 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.725 -3.270 -8.732 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.860 -3.109 -9.242 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.849 -2.822 -9.994 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.129 -2.705 -10.355 1.00 0.00 N ATOM 0 H HIS A 117 5.917 -5.705 -5.256 1.00 0.00 H new ATOM 0 HA HIS A 117 3.652 -5.995 -7.188 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.376 -3.769 -6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.085 -3.424 -6.385 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.938 -3.140 -9.184 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.014 -2.586 -10.637 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.493 -2.388 -11.254 1.00 0.00 H new ATOM 391 N CYS A 118 6.901 -5.517 -7.432 1.00 0.00 N ATOM 392 CA CYS A 118 8.056 -5.768 -8.337 1.00 0.00 C ATOM 393 C CYS A 118 8.912 -6.901 -7.763 1.00 0.00 C ATOM 394 O CYS A 118 9.809 -7.401 -8.412 1.00 0.00 O ATOM 395 CB CYS A 118 8.898 -4.497 -8.456 1.00 0.00 C ATOM 396 SG CYS A 118 9.339 -3.909 -6.803 1.00 0.00 S ATOM 0 H CYS A 118 7.144 -5.178 -6.501 1.00 0.00 H new ATOM 0 HA CYS A 118 7.692 -6.052 -9.324 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.800 -4.698 -9.035 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.341 -3.728 -8.991 1.00 0.00 H new ATOM 401 N GLY A 119 8.639 -7.314 -6.553 1.00 0.00 N ATOM 402 CA GLY A 119 9.437 -8.416 -5.945 1.00 0.00 C ATOM 403 C GLY A 119 10.871 -7.943 -5.711 1.00 0.00 C ATOM 404 O GLY A 119 11.821 -8.641 -6.009 1.00 0.00 O ATOM 0 H GLY A 119 7.899 -6.936 -5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.987 -8.726 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.433 -9.286 -6.601 1.00 0.00 H new ATOM 408 N SER A 120 11.038 -6.764 -5.181 1.00 0.00 N ATOM 409 CA SER A 120 12.412 -6.247 -4.928 1.00 0.00 C ATOM 410 C SER A 120 12.440 -5.501 -3.594 1.00 0.00 C ATOM 411 O SER A 120 11.411 -5.166 -3.037 1.00 0.00 O ATOM 412 CB SER A 120 12.811 -5.289 -6.051 1.00 0.00 C ATOM 413 OG SER A 120 12.658 -5.944 -7.304 1.00 0.00 O ATOM 0 H SER A 120 10.282 -6.135 -4.912 1.00 0.00 H new ATOM 0 HA SER A 120 13.112 -7.082 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.191 -4.393 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.844 -4.967 -5.920 1.00 0.00 H new ATOM 0 HG SER A 120 12.912 -5.332 -8.026 1.00 0.00 H new ATOM 419 N LEU A 121 13.607 -5.232 -3.077 1.00 0.00 N ATOM 420 CA LEU A 121 13.695 -4.503 -1.782 1.00 0.00 C ATOM 421 C LEU A 121 13.558 -3.000 -2.022 1.00 0.00 C ATOM 422 O LEU A 121 13.994 -2.475 -3.027 1.00 0.00 O ATOM 423 CB LEU A 121 15.041 -4.790 -1.114 1.00 0.00 C ATOM 424 CG LEU A 121 14.901 -5.995 -0.183 1.00 0.00 C ATOM 425 CD1 LEU A 121 16.276 -6.627 0.043 1.00 0.00 C ATOM 426 CD2 LEU A 121 14.325 -5.529 1.158 1.00 0.00 C ATOM 0 H LEU A 121 14.502 -5.485 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 121 12.889 -4.841 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.800 -4.988 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.373 -3.918 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 121 14.235 -6.732 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 121 16.177 -7.486 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.689 -6.952 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.943 -5.894 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 121 14.223 -6.384 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.995 -4.796 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.347 -5.076 0.996 1.00 0.00 H new ATOM 438 N LEU A 122 12.956 -2.310 -1.098 1.00 0.00 N ATOM 439 CA LEU A 122 12.784 -0.838 -1.251 1.00 0.00 C ATOM 440 C LEU A 122 14.122 -0.142 -0.995 1.00 0.00 C ATOM 441 O LEU A 122 14.415 0.274 0.108 1.00 0.00 O ATOM 442 CB LEU A 122 11.750 -0.338 -0.238 1.00 0.00 C ATOM 443 CG LEU A 122 10.529 -1.261 -0.245 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.882 -1.265 1.141 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.515 -0.755 -1.274 1.00 0.00 C ATOM 0 H LEU A 122 12.573 -2.703 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 122 12.442 -0.614 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.189 -0.308 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.449 0.680 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 122 10.842 -2.273 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 122 9.013 -1.923 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.602 -1.622 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.570 -0.253 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.645 -1.411 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.205 0.257 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.972 -0.750 -2.263 1.00 0.00 H new ATOM 457 N TYR A 123 14.940 -0.015 -2.006 1.00 0.00 N ATOM 458 CA TYR A 123 16.260 0.651 -1.822 1.00 0.00 C ATOM 459 C TYR A 123 16.092 1.898 -0.948 1.00 0.00 C ATOM 460 O TYR A 123 15.013 2.445 -0.834 1.00 0.00 O ATOM 461 CB TYR A 123 16.820 1.060 -3.186 1.00 0.00 C ATOM 462 CG TYR A 123 17.020 -0.173 -4.036 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.505 -1.352 -3.456 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.722 -0.136 -5.404 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.692 -2.496 -4.245 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.908 -1.280 -6.194 1.00 0.00 C ATOM 467 CZ TYR A 123 17.395 -2.459 -5.614 1.00 0.00 C ATOM 468 OH TYR A 123 17.579 -3.584 -6.391 1.00 0.00 O ATOM 0 H TYR A 123 14.750 -0.345 -2.952 1.00 0.00 H new ATOM 0 HA TYR A 123 16.948 -0.042 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.136 1.749 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.766 1.586 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.735 -1.380 -2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.349 0.774 -5.851 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.065 -3.406 -3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.676 -1.252 -7.248 1.00 0.00 H new ATOM 0 HH TYR A 123 17.324 -3.388 -7.317 1.00 0.00 H new ATOM 478 N GLY A 124 17.150 2.348 -0.331 1.00 0.00 N ATOM 479 CA GLY A 124 17.050 3.557 0.534 1.00 0.00 C ATOM 480 C GLY A 124 16.578 4.747 -0.302 1.00 0.00 C ATOM 481 O GLY A 124 16.147 5.755 0.221 1.00 0.00 O ATOM 0 H GLY A 124 18.079 1.931 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.353 3.375 1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.019 3.776 0.983 1.00 0.00 H new ATOM 485 N LEU A 125 16.655 4.638 -1.599 1.00 0.00 N ATOM 486 CA LEU A 125 16.211 5.763 -2.469 1.00 0.00 C ATOM 487 C LEU A 125 14.799 6.192 -2.066 1.00 0.00 C ATOM 488 O LEU A 125 14.374 7.296 -2.344 1.00 0.00 O ATOM 489 CB LEU A 125 16.206 5.306 -3.929 1.00 0.00 C ATOM 490 CG LEU A 125 17.639 5.278 -4.460 1.00 0.00 C ATOM 491 CD1 LEU A 125 17.655 4.651 -5.855 1.00 0.00 C ATOM 492 CD2 LEU A 125 18.180 6.707 -4.537 1.00 0.00 C ATOM 0 H LEU A 125 17.006 3.818 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 125 16.894 6.604 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.758 4.316 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.597 5.981 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 125 18.264 4.687 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 125 18.677 4.631 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 125 17.268 3.633 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 125 17.031 5.241 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 125 19.202 6.689 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.555 7.297 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 125 18.169 7.154 -3.543 1.00 0.00 H new ATOM 504 N VAL A 126 14.069 5.330 -1.414 1.00 0.00 N ATOM 505 CA VAL A 126 12.685 5.693 -0.995 1.00 0.00 C ATOM 506 C VAL A 126 12.483 5.303 0.468 1.00 0.00 C ATOM 507 O VAL A 126 12.746 4.184 0.860 1.00 0.00 O ATOM 508 CB VAL A 126 11.676 4.944 -1.867 1.00 0.00 C ATOM 509 CG1 VAL A 126 12.017 5.158 -3.343 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.735 3.449 -1.544 1.00 0.00 C ATOM 0 H VAL A 126 14.370 4.391 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 126 12.537 6.767 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 126 10.673 5.322 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 126 11.298 4.624 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.977 6.222 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 126 13.020 4.780 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.016 2.914 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.738 3.073 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.492 3.294 -0.493 1.00 0.00 H new ATOM 520 N HIS A 127 12.019 6.216 1.279 1.00 0.00 N ATOM 521 CA HIS A 127 11.799 5.895 2.718 1.00 0.00 C ATOM 522 C HIS A 127 11.149 4.515 2.831 1.00 0.00 C ATOM 523 O HIS A 127 9.947 4.381 2.729 1.00 0.00 O ATOM 524 CB HIS A 127 10.879 6.948 3.342 1.00 0.00 C ATOM 525 CG HIS A 127 11.415 7.347 4.690 1.00 0.00 C ATOM 526 ND1 HIS A 127 12.627 7.127 5.298 1.00 0.00 N flip ATOM 527 CD2 HIS A 127 10.658 8.063 5.603 1.00 0.00 C flip ATOM 528 CE1 HIS A 127 12.622 7.696 6.568 1.00 0.00 C flip ATOM 529 NE2 HIS A 127 11.413 8.246 6.701 1.00 0.00 N flip ATOM 0 H HIS A 127 11.783 7.170 1.007 1.00 0.00 H new ATOM 0 HA HIS A 127 12.754 5.894 3.244 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.814 7.821 2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.869 6.550 3.444 1.00 0.00 H new ATOM 0 HD2 HIS A 127 9.646 8.411 5.459 1.00 0.00 H new ATOM 0 HE1 HIS A 127 13.424 7.693 7.291 1.00 0.00 H new ATOM 0 HE2 HIS A 127 11.100 8.744 7.534 1.00 0.00 H new ATOM 537 N GLN A 128 11.944 3.495 3.031 1.00 0.00 N ATOM 538 CA GLN A 128 11.398 2.109 3.144 1.00 0.00 C ATOM 539 C GLN A 128 10.229 1.928 2.164 1.00 0.00 C ATOM 540 O GLN A 128 10.325 2.291 1.010 1.00 0.00 O ATOM 541 CB GLN A 128 10.943 1.849 4.581 1.00 0.00 C ATOM 542 CG GLN A 128 9.786 2.777 4.939 1.00 0.00 C ATOM 543 CD GLN A 128 10.337 4.090 5.499 1.00 0.00 C ATOM 544 OE1 GLN A 128 9.591 5.159 5.473 1.00 0.00 O flip ATOM 545 NE2 GLN A 128 11.459 4.142 5.964 1.00 0.00 N flip ATOM 0 H GLN A 128 12.958 3.564 3.122 1.00 0.00 H new ATOM 0 HA GLN A 128 12.177 1.390 2.890 1.00 0.00 H new ATOM 0 HB2 GLN A 128 10.633 0.810 4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 128 11.774 2.008 5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 128 9.177 2.973 4.056 1.00 0.00 H new ATOM 0 HG3 GLN A 128 9.138 2.300 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 128 12.042 3.305 5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 128 11.817 5.022 6.334 1.00 0.00 H new ATOM 554 N GLY A 129 9.132 1.361 2.599 1.00 0.00 N ATOM 555 CA GLY A 129 7.990 1.162 1.662 1.00 0.00 C ATOM 556 C GLY A 129 6.734 1.857 2.191 1.00 0.00 C ATOM 557 O GLY A 129 6.703 2.375 3.294 1.00 0.00 O ATOM 0 H GLY A 129 8.980 1.031 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.245 1.558 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.797 0.097 1.536 1.00 0.00 H new ATOM 561 N MET A 130 5.694 1.866 1.403 1.00 0.00 N ATOM 562 CA MET A 130 4.426 2.515 1.834 1.00 0.00 C ATOM 563 C MET A 130 3.390 1.434 2.138 1.00 0.00 C ATOM 564 O MET A 130 3.224 0.491 1.388 1.00 0.00 O ATOM 565 CB MET A 130 3.902 3.419 0.714 1.00 0.00 C ATOM 566 CG MET A 130 5.079 3.971 -0.096 1.00 0.00 C ATOM 567 SD MET A 130 6.300 4.690 1.030 1.00 0.00 S ATOM 568 CE MET A 130 6.629 6.190 0.075 1.00 0.00 C ATOM 0 H MET A 130 5.669 1.448 0.473 1.00 0.00 H new ATOM 0 HA MET A 130 4.608 3.115 2.725 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.232 2.857 0.063 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.322 4.239 1.137 1.00 0.00 H new ATOM 0 HG2 MET A 130 5.535 3.175 -0.684 1.00 0.00 H new ATOM 0 HG3 MET A 130 4.728 4.726 -0.800 1.00 0.00 H new ATOM 0 HE1 MET A 130 7.704 6.364 0.029 1.00 0.00 H new ATOM 0 HE2 MET A 130 6.237 6.071 -0.935 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.144 7.040 0.555 1.00 0.00 H new ATOM 578 N LYS A 131 2.696 1.562 3.236 1.00 0.00 N ATOM 579 CA LYS A 131 1.675 0.539 3.591 1.00 0.00 C ATOM 580 C LYS A 131 0.280 1.065 3.246 1.00 0.00 C ATOM 581 O LYS A 131 -0.073 2.178 3.580 1.00 0.00 O ATOM 582 CB LYS A 131 1.749 0.246 5.089 1.00 0.00 C ATOM 583 CG LYS A 131 0.881 -0.969 5.417 1.00 0.00 C ATOM 584 CD LYS A 131 1.766 -2.095 5.958 1.00 0.00 C ATOM 585 CE LYS A 131 1.033 -2.823 7.087 1.00 0.00 C ATOM 586 NZ LYS A 131 1.594 -4.195 7.240 1.00 0.00 N ATOM 0 H LYS A 131 2.792 2.330 3.901 1.00 0.00 H new ATOM 0 HA LYS A 131 1.868 -0.375 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.782 0.058 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.409 1.112 5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.124 -0.701 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.353 -1.304 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.012 -2.795 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.708 -1.687 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.139 -2.269 8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.033 -2.877 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 1.096 -4.690 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.471 -4.721 6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.607 -4.132 7.468 1.00 0.00 H new ATOM 600 N CYS A 132 -0.516 0.272 2.585 1.00 0.00 N ATOM 601 CA CYS A 132 -1.886 0.728 2.226 1.00 0.00 C ATOM 602 C CYS A 132 -2.763 0.724 3.479 1.00 0.00 C ATOM 603 O CYS A 132 -3.012 -0.308 4.071 1.00 0.00 O ATOM 604 CB CYS A 132 -2.486 -0.214 1.181 1.00 0.00 C ATOM 605 SG CYS A 132 -4.233 0.194 0.935 1.00 0.00 S ATOM 0 H CYS A 132 -0.277 -0.671 2.278 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.837 1.736 1.815 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.944 -0.123 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.386 -1.249 1.508 1.00 0.00 H new ATOM 610 N SER A 133 -3.231 1.871 3.887 1.00 0.00 N ATOM 611 CA SER A 133 -4.091 1.937 5.102 1.00 0.00 C ATOM 612 C SER A 133 -5.542 1.640 4.717 1.00 0.00 C ATOM 613 O SER A 133 -6.457 2.323 5.133 1.00 0.00 O ATOM 614 CB SER A 133 -4.004 3.336 5.715 1.00 0.00 C ATOM 615 OG SER A 133 -3.483 3.238 7.034 1.00 0.00 O ATOM 0 H SER A 133 -3.055 2.766 3.431 1.00 0.00 H new ATOM 0 HA SER A 133 -3.749 1.200 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.364 3.974 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.990 3.799 5.735 1.00 0.00 H new ATOM 0 HG SER A 133 -3.424 4.133 7.430 1.00 0.00 H new ATOM 621 N CYS A 134 -5.759 0.625 3.926 1.00 0.00 N ATOM 622 CA CYS A 134 -7.149 0.282 3.515 1.00 0.00 C ATOM 623 C CYS A 134 -7.262 -1.233 3.322 1.00 0.00 C ATOM 624 O CYS A 134 -8.256 -1.839 3.668 1.00 0.00 O ATOM 625 CB CYS A 134 -7.482 0.992 2.201 1.00 0.00 C ATOM 626 SG CYS A 134 -8.224 2.604 2.559 1.00 0.00 S ATOM 0 H CYS A 134 -5.032 0.018 3.546 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.848 0.603 4.287 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.578 1.120 1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -8.170 0.386 1.612 1.00 0.00 H new ATOM 0 HG CYS A 134 -7.764 3.052 3.690 1.00 0.00 H new ATOM 632 N CYS A 135 -6.249 -1.848 2.773 1.00 0.00 N ATOM 633 CA CYS A 135 -6.298 -3.320 2.561 1.00 0.00 C ATOM 634 C CYS A 135 -5.025 -3.963 3.120 1.00 0.00 C ATOM 635 O CYS A 135 -4.859 -5.165 3.080 1.00 0.00 O ATOM 636 CB CYS A 135 -6.409 -3.617 1.062 1.00 0.00 C ATOM 637 SG CYS A 135 -4.836 -3.238 0.247 1.00 0.00 S ATOM 0 H CYS A 135 -5.390 -1.393 2.463 1.00 0.00 H new ATOM 0 HA CYS A 135 -7.165 -3.732 3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.667 -4.665 0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -7.210 -3.023 0.622 1.00 0.00 H new ATOM 642 N GLU A 136 -4.124 -3.172 3.640 1.00 0.00 N ATOM 643 CA GLU A 136 -2.864 -3.742 4.198 1.00 0.00 C ATOM 644 C GLU A 136 -1.968 -4.214 3.051 1.00 0.00 C ATOM 645 O GLU A 136 -1.913 -5.386 2.733 1.00 0.00 O ATOM 646 CB GLU A 136 -3.198 -4.924 5.111 1.00 0.00 C ATOM 647 CG GLU A 136 -4.382 -4.557 6.008 1.00 0.00 C ATOM 648 CD GLU A 136 -4.625 -5.678 7.019 1.00 0.00 C ATOM 649 OE1 GLU A 136 -4.010 -6.723 6.876 1.00 0.00 O ATOM 650 OE2 GLU A 136 -5.422 -5.474 7.920 1.00 0.00 O ATOM 0 H GLU A 136 -4.206 -2.157 3.702 1.00 0.00 H new ATOM 0 HA GLU A 136 -2.342 -2.978 4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -3.440 -5.802 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -2.332 -5.182 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -4.180 -3.621 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -5.275 -4.399 5.403 1.00 0.00 H new ATOM 657 N MET A 137 -1.267 -3.308 2.425 1.00 0.00 N ATOM 658 CA MET A 137 -0.375 -3.697 1.296 1.00 0.00 C ATOM 659 C MET A 137 0.976 -2.994 1.454 1.00 0.00 C ATOM 660 O MET A 137 1.168 -2.200 2.351 1.00 0.00 O ATOM 661 CB MET A 137 -1.020 -3.270 -0.024 1.00 0.00 C ATOM 662 CG MET A 137 -0.578 -4.212 -1.146 1.00 0.00 C ATOM 663 SD MET A 137 -2.037 -4.829 -2.020 1.00 0.00 S ATOM 664 CE MET A 137 -1.264 -5.035 -3.643 1.00 0.00 C ATOM 0 H MET A 137 -1.274 -2.313 2.648 1.00 0.00 H new ATOM 0 HA MET A 137 -0.226 -4.777 1.298 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.106 -3.286 0.070 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.735 -2.245 -0.264 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.080 -3.687 -1.839 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.008 -5.045 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.000 -5.415 -4.351 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.888 -4.073 -3.991 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.438 -5.741 -3.565 1.00 0.00 H new ATOM 674 N ASN A 138 1.910 -3.277 0.589 1.00 0.00 N ATOM 675 CA ASN A 138 3.245 -2.617 0.691 1.00 0.00 C ATOM 676 C ASN A 138 3.863 -2.507 -0.704 1.00 0.00 C ATOM 677 O ASN A 138 4.005 -3.489 -1.407 1.00 0.00 O ATOM 678 CB ASN A 138 4.160 -3.448 1.593 1.00 0.00 C ATOM 679 CG ASN A 138 3.943 -3.041 3.052 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.406 -1.987 3.326 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.341 -3.837 4.005 1.00 0.00 N ATOM 0 H ASN A 138 1.809 -3.935 -0.183 1.00 0.00 H new ATOM 0 HA ASN A 138 3.128 -1.621 1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 138 3.948 -4.510 1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.202 -3.295 1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.201 -3.574 4.981 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.792 -4.722 3.775 1.00 0.00 H new ATOM 688 N VAL A 139 4.234 -1.324 -1.119 1.00 0.00 N ATOM 689 CA VAL A 139 4.838 -1.178 -2.476 1.00 0.00 C ATOM 690 C VAL A 139 5.988 -0.168 -2.440 1.00 0.00 C ATOM 691 O VAL A 139 6.354 0.341 -1.399 1.00 0.00 O ATOM 692 CB VAL A 139 3.772 -0.694 -3.459 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.796 -1.833 -3.758 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.011 0.482 -2.845 1.00 0.00 C ATOM 0 H VAL A 139 4.146 -0.461 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 139 5.225 -2.146 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 139 4.250 -0.375 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.036 -1.487 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.338 -2.671 -4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.317 -2.154 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.250 0.828 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.533 0.163 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.706 1.294 -2.633 1.00 0.00 H new ATOM 704 N HIS A 140 6.560 0.121 -3.579 1.00 0.00 N ATOM 705 CA HIS A 140 7.691 1.092 -3.635 1.00 0.00 C ATOM 706 C HIS A 140 7.141 2.512 -3.788 1.00 0.00 C ATOM 707 O HIS A 140 5.955 2.747 -3.661 1.00 0.00 O ATOM 708 CB HIS A 140 8.575 0.771 -4.844 1.00 0.00 C ATOM 709 CG HIS A 140 9.530 -0.337 -4.501 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.329 -1.644 -4.920 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.701 -0.351 -3.783 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.355 -2.381 -4.455 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.220 -1.642 -3.756 1.00 0.00 N ATOM 0 H HIS A 140 6.290 -0.277 -4.479 1.00 0.00 H new ATOM 0 HA HIS A 140 8.274 1.019 -2.717 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.955 0.479 -5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.129 1.660 -5.146 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.151 0.510 -3.311 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.465 -3.442 -4.627 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.077 -1.956 -3.300 1.00 0.00 H new ATOM 720 N ARG A 141 7.994 3.459 -4.070 1.00 0.00 N ATOM 721 CA ARG A 141 7.524 4.862 -4.245 1.00 0.00 C ATOM 722 C ARG A 141 7.160 5.082 -5.715 1.00 0.00 C ATOM 723 O ARG A 141 6.301 5.876 -6.041 1.00 0.00 O ATOM 724 CB ARG A 141 8.636 5.831 -3.841 1.00 0.00 C ATOM 725 CG ARG A 141 8.338 6.402 -2.454 1.00 0.00 C ATOM 726 CD ARG A 141 7.426 7.623 -2.590 1.00 0.00 C ATOM 727 NE ARG A 141 8.255 8.861 -2.622 1.00 0.00 N ATOM 728 CZ ARG A 141 8.078 9.738 -3.571 1.00 0.00 C ATOM 729 NH1 ARG A 141 8.659 9.575 -4.727 1.00 0.00 N ATOM 730 NH2 ARG A 141 7.316 10.778 -3.363 1.00 0.00 N ATOM 0 H ARG A 141 8.998 3.321 -4.187 1.00 0.00 H new ATOM 0 HA ARG A 141 6.651 5.040 -3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.597 5.316 -3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.712 6.638 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 141 7.860 5.645 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 141 9.267 6.682 -1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 141 6.832 7.547 -3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 141 6.726 7.662 -1.755 1.00 0.00 H new ATOM 0 HE ARG A 141 8.960 9.022 -1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 141 9.252 8.761 -4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 141 8.520 10.261 -5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 141 6.860 10.904 -2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 141 7.177 11.465 -4.104 1.00 0.00 H new ATOM 744 N ARG A 142 7.808 4.378 -6.603 1.00 0.00 N ATOM 745 CA ARG A 142 7.501 4.537 -8.052 1.00 0.00 C ATOM 746 C ARG A 142 6.601 3.387 -8.510 1.00 0.00 C ATOM 747 O ARG A 142 6.203 3.317 -9.656 1.00 0.00 O ATOM 748 CB ARG A 142 8.803 4.515 -8.855 1.00 0.00 C ATOM 749 CG ARG A 142 9.919 5.168 -8.038 1.00 0.00 C ATOM 750 CD ARG A 142 11.237 5.075 -8.809 1.00 0.00 C ATOM 751 NE ARG A 142 12.380 5.163 -7.857 1.00 0.00 N ATOM 752 CZ ARG A 142 13.242 6.137 -7.961 1.00 0.00 C ATOM 753 NH1 ARG A 142 14.186 6.080 -8.860 1.00 0.00 N ATOM 754 NH2 ARG A 142 13.158 7.169 -7.166 1.00 0.00 N ATOM 0 H ARG A 142 8.538 3.699 -6.387 1.00 0.00 H new ATOM 0 HA ARG A 142 6.991 5.486 -8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.072 3.488 -9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.670 5.046 -9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.675 6.211 -7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.015 4.672 -7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.282 4.136 -9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.299 5.879 -9.542 1.00 0.00 H new ATOM 0 HE ARG A 142 12.489 4.462 -7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 142 14.250 5.274 -9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.860 6.842 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 142 12.419 7.213 -6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.831 7.931 -7.246 1.00 0.00 H new ATOM 768 N CYS A 143 6.275 2.484 -7.624 1.00 0.00 N ATOM 769 CA CYS A 143 5.401 1.342 -8.012 1.00 0.00 C ATOM 770 C CYS A 143 3.938 1.731 -7.795 1.00 0.00 C ATOM 771 O CYS A 143 3.032 1.077 -8.274 1.00 0.00 O ATOM 772 CB CYS A 143 5.738 0.123 -7.148 1.00 0.00 C ATOM 773 SG CYS A 143 7.228 -0.681 -7.788 1.00 0.00 S ATOM 0 H CYS A 143 6.576 2.489 -6.650 1.00 0.00 H new ATOM 0 HA CYS A 143 5.564 1.097 -9.062 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.894 0.430 -6.114 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.904 -0.579 -7.150 1.00 0.00 H new ATOM 778 N VAL A 144 3.700 2.793 -7.075 1.00 0.00 N ATOM 779 CA VAL A 144 2.298 3.229 -6.826 1.00 0.00 C ATOM 780 C VAL A 144 1.642 3.617 -8.152 1.00 0.00 C ATOM 781 O VAL A 144 0.522 3.241 -8.436 1.00 0.00 O ATOM 782 CB VAL A 144 2.303 4.437 -5.886 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.885 4.693 -5.374 1.00 0.00 C ATOM 784 CG2 VAL A 144 3.228 4.154 -4.701 1.00 0.00 C ATOM 0 H VAL A 144 4.418 3.378 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 144 1.737 2.413 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 144 2.658 5.315 -6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.890 5.553 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.224 4.893 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.529 3.815 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 144 3.233 5.013 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.872 3.276 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 144 4.239 3.971 -5.064 1.00 0.00 H new ATOM 794 N ARG A 145 2.331 4.368 -8.968 1.00 0.00 N ATOM 795 CA ARG A 145 1.746 4.781 -10.275 1.00 0.00 C ATOM 796 C ARG A 145 1.606 3.556 -11.182 1.00 0.00 C ATOM 797 O ARG A 145 0.952 3.602 -12.205 1.00 0.00 O ATOM 798 CB ARG A 145 2.663 5.807 -10.943 1.00 0.00 C ATOM 799 CG ARG A 145 4.092 5.261 -10.987 1.00 0.00 C ATOM 800 CD ARG A 145 4.575 5.213 -12.438 1.00 0.00 C ATOM 801 NE ARG A 145 5.546 4.094 -12.601 1.00 0.00 N ATOM 802 CZ ARG A 145 6.153 3.919 -13.742 1.00 0.00 C ATOM 803 NH1 ARG A 145 6.251 4.907 -14.589 1.00 0.00 N ATOM 804 NH2 ARG A 145 6.665 2.754 -14.036 1.00 0.00 N ATOM 0 H ARG A 145 3.273 4.713 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 145 0.764 5.224 -10.109 1.00 0.00 H new ATOM 0 HB2 ARG A 145 2.313 6.021 -11.953 1.00 0.00 H new ATOM 0 HB3 ARG A 145 2.638 6.747 -10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 145 4.753 5.893 -10.393 1.00 0.00 H new ATOM 0 HG3 ARG A 145 4.125 4.264 -10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.728 5.075 -13.110 1.00 0.00 H new ATOM 0 HD3 ARG A 145 5.045 6.159 -12.708 1.00 0.00 H new ATOM 0 HE ARG A 145 5.736 3.465 -11.820 1.00 0.00 H new ATOM 0 HH11 ARG A 145 5.853 5.817 -14.359 1.00 0.00 H new ATOM 0 HH12 ARG A 145 6.726 4.769 -15.481 1.00 0.00 H new ATOM 0 HH21 ARG A 145 6.590 1.982 -13.374 1.00 0.00 H new ATOM 0 HH22 ARG A 145 7.140 2.616 -14.928 1.00 0.00 H new ATOM 818 N SER A 146 2.216 2.462 -10.818 1.00 0.00 N ATOM 819 CA SER A 146 2.117 1.240 -11.664 1.00 0.00 C ATOM 820 C SER A 146 0.929 0.393 -11.201 1.00 0.00 C ATOM 821 O SER A 146 0.401 -0.411 -11.944 1.00 0.00 O ATOM 822 CB SER A 146 3.406 0.426 -11.538 1.00 0.00 C ATOM 823 OG SER A 146 4.524 1.293 -11.681 1.00 0.00 O ATOM 0 H SER A 146 2.778 2.362 -9.973 1.00 0.00 H new ATOM 0 HA SER A 146 1.972 1.530 -12.705 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.441 -0.075 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.435 -0.352 -12.301 1.00 0.00 H new ATOM 0 HG SER A 146 5.352 0.775 -11.599 1.00 0.00 H new ATOM 829 N VAL A 147 0.505 0.567 -9.979 1.00 0.00 N ATOM 830 CA VAL A 147 -0.650 -0.226 -9.470 1.00 0.00 C ATOM 831 C VAL A 147 -1.939 0.280 -10.129 1.00 0.00 C ATOM 832 O VAL A 147 -2.105 1.468 -10.322 1.00 0.00 O ATOM 833 CB VAL A 147 -0.748 -0.057 -7.953 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.528 -1.226 -7.353 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.661 -0.024 -7.354 1.00 0.00 C ATOM 0 H VAL A 147 0.908 1.224 -9.311 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.509 -1.280 -9.709 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.265 0.875 -7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.596 -1.102 -6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.531 -1.251 -7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.015 -2.160 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.594 0.096 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.176 -0.957 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.217 0.812 -7.778 1.00 0.00 H new ATOM 845 N PRO A 148 -2.816 -0.638 -10.456 1.00 0.00 N ATOM 846 CA PRO A 148 -4.101 -0.311 -11.100 1.00 0.00 C ATOM 847 C PRO A 148 -5.096 0.236 -10.071 1.00 0.00 C ATOM 848 O PRO A 148 -6.223 0.556 -10.394 1.00 0.00 O ATOM 849 CB PRO A 148 -4.576 -1.654 -11.659 1.00 0.00 C ATOM 850 CG PRO A 148 -3.850 -2.748 -10.840 1.00 0.00 C ATOM 851 CD PRO A 148 -2.609 -2.081 -10.218 1.00 0.00 C ATOM 0 HA PRO A 148 -4.010 0.457 -11.868 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.658 -1.753 -11.566 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.338 -1.740 -12.719 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.503 -3.150 -10.065 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.562 -3.583 -11.479 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.530 -2.302 -9.154 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.690 -2.434 -10.686 1.00 0.00 H new ATOM 859 N SER A 149 -4.690 0.349 -8.837 1.00 0.00 N ATOM 860 CA SER A 149 -5.614 0.879 -7.794 1.00 0.00 C ATOM 861 C SER A 149 -6.704 -0.155 -7.505 1.00 0.00 C ATOM 862 O SER A 149 -7.855 0.183 -7.305 1.00 0.00 O ATOM 863 CB SER A 149 -6.258 2.172 -8.293 1.00 0.00 C ATOM 864 OG SER A 149 -7.492 1.867 -8.929 1.00 0.00 O ATOM 0 H SER A 149 -3.759 0.098 -8.505 1.00 0.00 H new ATOM 0 HA SER A 149 -5.054 1.081 -6.881 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.424 2.854 -7.459 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.591 2.678 -8.991 1.00 0.00 H new ATOM 0 HG SER A 149 -7.344 1.191 -9.623 1.00 0.00 H new ATOM 870 N LEU A 150 -6.354 -1.411 -7.478 1.00 0.00 N ATOM 871 CA LEU A 150 -7.372 -2.463 -7.200 1.00 0.00 C ATOM 872 C LEU A 150 -7.477 -2.684 -5.690 1.00 0.00 C ATOM 873 O LEU A 150 -7.271 -3.775 -5.197 1.00 0.00 O ATOM 874 CB LEU A 150 -6.956 -3.767 -7.881 1.00 0.00 C ATOM 875 CG LEU A 150 -7.909 -4.062 -9.040 1.00 0.00 C ATOM 876 CD1 LEU A 150 -7.223 -3.726 -10.365 1.00 0.00 C ATOM 877 CD2 LEU A 150 -8.284 -5.546 -9.025 1.00 0.00 C ATOM 0 H LEU A 150 -5.407 -1.755 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.340 -2.145 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.933 -3.688 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.974 -4.587 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.809 -3.456 -8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -7.903 -3.937 -11.190 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -6.953 -2.670 -10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.323 -4.332 -10.473 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -8.963 -5.758 -9.851 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.383 -6.150 -9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -8.773 -5.788 -8.081 1.00 0.00 H new ATOM 889 N CYS A 151 -7.797 -1.657 -4.953 1.00 0.00 N ATOM 890 CA CYS A 151 -7.915 -1.807 -3.476 1.00 0.00 C ATOM 891 C CYS A 151 -9.358 -2.162 -3.115 1.00 0.00 C ATOM 892 O CYS A 151 -10.265 -1.372 -3.290 1.00 0.00 O ATOM 893 CB CYS A 151 -7.528 -0.492 -2.796 1.00 0.00 C ATOM 894 SG CYS A 151 -7.266 -0.781 -1.029 1.00 0.00 S ATOM 0 H CYS A 151 -7.982 -0.720 -5.310 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.249 -2.600 -3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.621 -0.090 -3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.313 0.250 -2.942 1.00 0.00 H new ATOM 899 N GLY A 152 -9.580 -3.347 -2.613 1.00 0.00 N ATOM 900 CA GLY A 152 -10.966 -3.751 -2.243 1.00 0.00 C ATOM 901 C GLY A 152 -11.495 -4.759 -3.263 1.00 0.00 C ATOM 902 O GLY A 152 -12.679 -5.026 -3.331 1.00 0.00 O ATOM 0 H GLY A 152 -8.862 -4.052 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -10.974 -4.190 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -11.615 -2.876 -2.211 1.00 0.00 H new ATOM 906 N VAL A 153 -10.628 -5.322 -4.060 1.00 0.00 N ATOM 907 CA VAL A 153 -11.082 -6.312 -5.076 1.00 0.00 C ATOM 908 C VAL A 153 -10.917 -7.729 -4.523 1.00 0.00 C ATOM 909 O VAL A 153 -9.816 -8.219 -4.366 1.00 0.00 O ATOM 910 CB VAL A 153 -10.249 -6.160 -6.344 1.00 0.00 C ATOM 911 CG1 VAL A 153 -10.795 -7.088 -7.430 1.00 0.00 C ATOM 912 CG2 VAL A 153 -10.318 -4.711 -6.830 1.00 0.00 C ATOM 0 H VAL A 153 -9.625 -5.139 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 153 -12.132 -6.135 -5.308 1.00 0.00 H new ATOM 0 HB VAL A 153 -9.213 -6.423 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -10.199 -6.978 -8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -10.745 -8.121 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -11.831 -6.827 -7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -9.722 -4.603 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -11.354 -4.448 -7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -9.927 -4.049 -6.057 1.00 0.00 H new ATOM 922 N ASP A 154 -12.002 -8.391 -4.228 1.00 0.00 N ATOM 923 CA ASP A 154 -11.906 -9.776 -3.686 1.00 0.00 C ATOM 924 C ASP A 154 -12.251 -10.780 -4.788 1.00 0.00 C ATOM 925 O ASP A 154 -12.078 -10.513 -5.961 1.00 0.00 O ATOM 926 CB ASP A 154 -12.887 -9.939 -2.524 1.00 0.00 C ATOM 927 CG ASP A 154 -12.224 -10.739 -1.402 1.00 0.00 C ATOM 928 OD1 ASP A 154 -11.138 -10.361 -0.993 1.00 0.00 O ATOM 929 OD2 ASP A 154 -12.812 -11.717 -0.971 1.00 0.00 O ATOM 0 H ASP A 154 -12.951 -8.033 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 154 -10.891 -9.958 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -13.194 -8.961 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -13.788 -10.449 -2.864 1.00 0.00 H new ATOM 934 N HIS A 155 -12.740 -11.933 -4.421 1.00 0.00 N ATOM 935 CA HIS A 155 -13.097 -12.952 -5.448 1.00 0.00 C ATOM 936 C HIS A 155 -14.598 -13.238 -5.381 1.00 0.00 C ATOM 937 O HIS A 155 -15.032 -14.365 -5.516 1.00 0.00 O ATOM 938 CB HIS A 155 -12.320 -14.243 -5.179 1.00 0.00 C ATOM 939 CG HIS A 155 -10.902 -13.907 -4.805 1.00 0.00 C ATOM 940 ND1 HIS A 155 -10.325 -14.348 -3.625 1.00 0.00 N ATOM 941 CD2 HIS A 155 -9.934 -13.174 -5.446 1.00 0.00 C ATOM 942 CE1 HIS A 155 -9.063 -13.881 -3.592 1.00 0.00 C ATOM 943 NE2 HIS A 155 -8.774 -13.159 -4.678 1.00 0.00 N ATOM 0 H HIS A 155 -12.908 -12.213 -3.455 1.00 0.00 H new ATOM 0 HA HIS A 155 -12.842 -12.574 -6.438 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -12.796 -14.805 -4.376 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -12.333 -14.879 -6.064 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.055 -12.684 -6.401 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -8.369 -14.067 -2.786 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -7.892 -12.696 -4.897 1.00 0.00 H new ATOM 951 N THR A 156 -15.396 -12.227 -5.170 1.00 0.00 N ATOM 952 CA THR A 156 -16.868 -12.443 -5.094 1.00 0.00 C ATOM 953 C THR A 156 -17.159 -13.642 -4.188 1.00 0.00 C ATOM 954 O THR A 156 -18.178 -14.292 -4.310 1.00 0.00 O ATOM 955 CB THR A 156 -17.418 -12.719 -6.495 1.00 0.00 C ATOM 956 OG1 THR A 156 -16.508 -13.548 -7.205 1.00 0.00 O ATOM 957 CG2 THR A 156 -17.598 -11.397 -7.244 1.00 0.00 C ATOM 0 H THR A 156 -15.092 -11.261 -5.047 1.00 0.00 H new ATOM 0 HA THR A 156 -17.345 -11.552 -4.686 1.00 0.00 H new ATOM 0 HB THR A 156 -18.381 -13.222 -6.415 1.00 0.00 H new ATOM 0 HG1 THR A 156 -16.218 -14.285 -6.628 1.00 0.00 H new ATOM 0 HG21 THR A 156 -17.990 -11.595 -8.242 1.00 0.00 H new ATOM 0 HG22 THR A 156 -18.297 -10.762 -6.699 1.00 0.00 H new ATOM 0 HG23 THR A 156 -16.636 -10.891 -7.326 1.00 0.00 H new ATOM 965 N GLU A 157 -16.272 -13.938 -3.278 1.00 0.00 N ATOM 966 CA GLU A 157 -16.499 -15.093 -2.365 1.00 0.00 C ATOM 967 C GLU A 157 -16.767 -14.578 -0.949 1.00 0.00 C ATOM 968 O GLU A 157 -15.860 -14.197 -0.235 1.00 0.00 O ATOM 969 CB GLU A 157 -15.258 -15.988 -2.355 1.00 0.00 C ATOM 970 CG GLU A 157 -15.266 -16.886 -3.594 1.00 0.00 C ATOM 971 CD GLU A 157 -15.997 -18.191 -3.275 1.00 0.00 C ATOM 972 OE1 GLU A 157 -15.807 -18.701 -2.183 1.00 0.00 O ATOM 973 OE2 GLU A 157 -16.732 -18.659 -4.128 1.00 0.00 O ATOM 0 H GLU A 157 -15.400 -13.430 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 157 -17.358 -15.667 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -14.356 -15.377 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -15.243 -16.597 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.757 -16.375 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -14.244 -17.097 -3.910 1.00 0.00 H new ATOM 980 N ARG A 158 -18.005 -14.562 -0.539 1.00 0.00 N ATOM 981 CA ARG A 158 -18.329 -14.071 0.830 1.00 0.00 C ATOM 982 C ARG A 158 -18.355 -15.253 1.803 1.00 0.00 C ATOM 983 O ARG A 158 -19.234 -15.367 2.633 1.00 0.00 O ATOM 984 CB ARG A 158 -19.701 -13.393 0.816 1.00 0.00 C ATOM 985 CG ARG A 158 -19.906 -12.683 -0.524 1.00 0.00 C ATOM 986 CD ARG A 158 -20.690 -11.388 -0.303 1.00 0.00 C ATOM 987 NE ARG A 158 -21.091 -10.819 -1.620 1.00 0.00 N ATOM 988 CZ ARG A 158 -21.856 -9.762 -1.668 1.00 0.00 C ATOM 989 NH1 ARG A 158 -22.861 -9.646 -0.844 1.00 0.00 N ATOM 990 NH2 ARG A 158 -21.616 -8.822 -2.541 1.00 0.00 N ATOM 0 H ARG A 158 -18.806 -14.867 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 158 -17.572 -13.355 1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -20.486 -14.133 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -19.773 -12.676 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -18.942 -12.463 -0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -20.445 -13.333 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -21.573 -11.584 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -20.080 -10.670 0.245 1.00 0.00 H new ATOM 0 HE ARG A 158 -20.768 -11.255 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -23.049 -10.381 -0.162 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -23.459 -8.820 -0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -20.831 -8.913 -3.186 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -22.214 -7.996 -2.579 1.00 0.00 H new ATOM 1004 N ARG A 159 -17.395 -16.132 1.706 1.00 0.00 N ATOM 1005 CA ARG A 159 -17.363 -17.305 2.626 1.00 0.00 C ATOM 1006 C ARG A 159 -16.632 -16.923 3.915 1.00 0.00 C ATOM 1007 O ARG A 159 -15.708 -16.131 3.836 1.00 0.00 O ATOM 1008 CB ARG A 159 -16.631 -18.465 1.948 1.00 0.00 C ATOM 1009 CG ARG A 159 -15.173 -18.072 1.697 1.00 0.00 C ATOM 1010 CD ARG A 159 -14.278 -18.731 2.748 1.00 0.00 C ATOM 1011 NE ARG A 159 -12.903 -18.892 2.198 1.00 0.00 N ATOM 1012 CZ ARG A 159 -12.418 -20.086 1.995 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -12.977 -20.878 1.121 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -11.372 -20.488 2.664 1.00 0.00 N ATOM 1015 OXT ARG A 159 -17.008 -17.432 4.958 1.00 0.00 O ATOM 0 H ARG A 159 -16.632 -16.089 1.030 1.00 0.00 H new ATOM 0 HA ARG A 159 -18.383 -17.608 2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -16.676 -19.354 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -17.119 -18.716 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -14.868 -18.383 0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -15.065 -16.988 1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -14.251 -18.122 3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -14.685 -19.702 3.030 1.00 0.00 H new ATOM 0 HE ARG A 159 -12.341 -18.069 1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -13.793 -20.563 0.596 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -12.598 -21.811 0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -10.934 -19.869 3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -10.993 -21.422 2.505 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -5.018 -1.170 -0.744 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 7.889 -2.221 -6.206 1.00 0.00 ZN