USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 CYS SG : rot -155:sc= -0.868 USER MOD Set 1.2: A 115 CYS SG : rot 126:sc= 0.914 USER MOD Set 1.3: A 124 LYS NZ :NH3+ 167:sc=-0.000374 (180deg=-0.0817) USER MOD Set 1.4: A 125 CYS SG : rot -154:sc= 0.58 USER MOD Set 1.5: A 128 CYS SG : rot 141:sc= -0.759 USER MOD Set 2.1: A 101 THR OG1 : rot 73:sc= 0.727 USER MOD Set 2.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 74 CYS SG : rot -176:sc= -1.85! USER MOD Set 3.2: A 77 CYS SG : rot -45:sc= 0.249 USER MOD Set 3.3: A 91 CYS SG : rot -131:sc= 1.39 USER MOD Set 3.4: A 94 CYS SG : rot 84:sc= -1.3 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 0:sc= 0.52 USER MOD Single : A 89 HIS : no HD1:sc= -0.751 K(o=-0.75,f=-2.2) USER MOD Single : A 95 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.148) USER MOD Single : A 104 MET CE :methyl -122:sc= -1.04 (180deg=-2.62!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0432) USER MOD Single : A 114 SER OG : rot -60:sc= 0.169 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc=-0.00802 X(o=-0.008,f=-0.026) USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= -0.034 (180deg=-0.254) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.871 K(o=-0.87,f=-2.3!) USER MOD Single : A 123 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.5!) USER MOD Single : A 126 GLN : amide:sc= -1.62! C(o=-1.6!,f=-1.7!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.699 K(o=-0.7,f=-1.6) USER MOD Single : A 132 LYS NZ :NH3+ 156:sc= -0.102 (180deg=-0.485) USER MOD Single : A 133 CYS SG : rot -110:sc= 0.0402 USER MOD Single : A 138 MET CE :methyl -155:sc= -1.27 (180deg=-3!) USER MOD Single : A 139 SER OG : rot 39:sc= 0.371 USER MOD Single : A 140 HIS : no HD1:sc= 0.0132 K(o=0.013,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.521 10.415 -7.826 1.00 0.00 N ATOM 84 CA GLU A 73 6.786 8.994 -8.024 1.00 0.00 C ATOM 85 C GLU A 73 5.860 8.143 -7.160 1.00 0.00 C ATOM 86 O GLU A 73 5.592 8.474 -6.004 1.00 0.00 O ATOM 87 CB GLU A 73 8.245 8.674 -7.694 1.00 0.00 C ATOM 88 CG GLU A 73 9.183 8.816 -8.881 1.00 0.00 C ATOM 89 CD GLU A 73 10.636 8.937 -8.466 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.938 9.784 -7.601 1.00 0.00 O ATOM 91 OE2 GLU A 73 11.472 8.183 -9.008 1.00 0.00 O ATOM 0 HA GLU A 73 6.597 8.758 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.581 9.335 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.307 7.655 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.067 7.953 -9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.900 9.695 -9.460 1.00 0.00 H new ATOM 98 N CYS A 74 5.373 7.045 -7.729 1.00 0.00 N ATOM 99 CA CYS A 74 4.476 6.146 -7.013 1.00 0.00 C ATOM 100 C CYS A 74 5.188 5.493 -5.832 1.00 0.00 C ATOM 101 O CYS A 74 6.150 4.747 -6.010 1.00 0.00 O ATOM 102 CB CYS A 74 3.939 5.069 -7.958 1.00 0.00 C ATOM 103 SG CYS A 74 2.893 3.820 -7.144 1.00 0.00 S ATOM 0 H CYS A 74 5.585 6.757 -8.684 1.00 0.00 H new ATOM 0 HA CYS A 74 3.642 6.734 -6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.364 5.549 -8.749 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.781 4.567 -8.435 1.00 0.00 H new ATOM 0 HG CYS A 74 2.556 2.908 -8.006 1.00 0.00 H new ATOM 108 N ARG A 75 4.708 5.781 -4.626 1.00 0.00 N ATOM 109 CA ARG A 75 5.299 5.223 -3.416 1.00 0.00 C ATOM 110 C ARG A 75 5.279 3.697 -3.454 1.00 0.00 C ATOM 111 O ARG A 75 6.116 3.039 -2.836 1.00 0.00 O ATOM 112 CB ARG A 75 4.549 5.722 -2.180 1.00 0.00 C ATOM 113 CG ARG A 75 4.425 7.236 -2.112 1.00 0.00 C ATOM 114 CD ARG A 75 5.592 7.857 -1.360 1.00 0.00 C ATOM 115 NE ARG A 75 6.710 8.170 -2.246 1.00 0.00 N ATOM 116 CZ ARG A 75 7.741 8.928 -1.889 1.00 0.00 C ATOM 117 NH1 ARG A 75 7.795 9.448 -0.670 1.00 0.00 N ATOM 118 NH2 ARG A 75 8.720 9.168 -2.752 1.00 0.00 N ATOM 0 H ARG A 75 3.912 6.397 -4.461 1.00 0.00 H new ATOM 0 HA ARG A 75 6.336 5.554 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.551 5.283 -2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.062 5.368 -1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.383 7.644 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.490 7.504 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.259 8.767 -0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.927 7.172 -0.581 1.00 0.00 H new ATOM 0 HE ARG A 75 6.699 7.786 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.044 9.266 -0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.588 10.030 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.681 8.770 -3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.511 9.750 -2.477 1.00 0.00 H new ATOM 132 N VAL A 76 4.317 3.141 -4.184 1.00 0.00 N ATOM 133 CA VAL A 76 4.188 1.694 -4.303 1.00 0.00 C ATOM 134 C VAL A 76 5.339 1.105 -5.111 1.00 0.00 C ATOM 135 O VAL A 76 6.218 0.438 -4.564 1.00 0.00 O ATOM 136 CB VAL A 76 2.855 1.303 -4.969 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.622 -0.196 -4.857 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.702 2.077 -4.348 1.00 0.00 C ATOM 0 H VAL A 76 3.616 3.671 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 76 4.213 1.289 -3.291 1.00 0.00 H new ATOM 0 HB VAL A 76 2.908 1.561 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.676 -0.454 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.434 -0.728 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.589 -0.482 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.768 1.788 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.645 1.852 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.866 3.146 -4.485 1.00 0.00 H new ATOM 148 N CYS A 77 5.328 1.355 -6.416 1.00 0.00 N ATOM 149 CA CYS A 77 6.371 0.850 -7.300 1.00 0.00 C ATOM 150 C CYS A 77 7.443 1.910 -7.539 1.00 0.00 C ATOM 151 O CYS A 77 8.637 1.634 -7.435 1.00 0.00 O ATOM 152 CB CYS A 77 5.767 0.410 -8.636 1.00 0.00 C ATOM 153 SG CYS A 77 5.023 1.766 -9.598 1.00 0.00 S ATOM 0 H CYS A 77 4.608 1.905 -6.885 1.00 0.00 H new ATOM 0 HA CYS A 77 6.836 -0.010 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.545 -0.063 -9.236 1.00 0.00 H new ATOM 0 HB3 CYS A 77 5.006 -0.347 -8.447 1.00 0.00 H new ATOM 0 HG CYS A 77 4.303 2.511 -8.813 1.00 0.00 H new ATOM 158 N GLY A 78 7.006 3.124 -7.859 1.00 0.00 N ATOM 159 CA GLY A 78 7.939 4.207 -8.107 1.00 0.00 C ATOM 160 C GLY A 78 7.625 4.963 -9.383 1.00 0.00 C ATOM 161 O GLY A 78 7.793 6.181 -9.449 1.00 0.00 O ATOM 0 H GLY A 78 6.022 3.377 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.920 4.899 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.950 3.805 -8.166 1.00 0.00 H new ATOM 165 N ASP A 79 7.169 4.240 -10.400 1.00 0.00 N ATOM 166 CA ASP A 79 6.831 4.849 -11.681 1.00 0.00 C ATOM 167 C ASP A 79 6.136 6.192 -11.477 1.00 0.00 C ATOM 168 O ASP A 79 5.578 6.460 -10.413 1.00 0.00 O ATOM 169 CB ASP A 79 5.934 3.915 -12.494 1.00 0.00 C ATOM 170 CG ASP A 79 5.519 4.520 -13.820 1.00 0.00 C ATOM 171 OD1 ASP A 79 4.588 5.353 -13.828 1.00 0.00 O ATOM 172 OD2 ASP A 79 6.125 4.161 -14.851 1.00 0.00 O ATOM 0 H ASP A 79 7.025 3.231 -10.362 1.00 0.00 H new ATOM 0 HA ASP A 79 7.757 5.019 -12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.460 2.977 -12.674 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.044 3.675 -11.913 1.00 0.00 H new ATOM 177 N LYS A 80 6.175 7.034 -12.504 1.00 0.00 N ATOM 178 CA LYS A 80 5.550 8.350 -12.439 1.00 0.00 C ATOM 179 C LYS A 80 4.184 8.271 -11.765 1.00 0.00 C ATOM 180 O LYS A 80 3.326 7.487 -12.170 1.00 0.00 O ATOM 181 CB LYS A 80 5.403 8.937 -13.845 1.00 0.00 C ATOM 182 CG LYS A 80 6.606 9.750 -14.293 1.00 0.00 C ATOM 183 CD LYS A 80 6.633 9.918 -15.803 1.00 0.00 C ATOM 184 CE LYS A 80 7.616 11.000 -16.225 1.00 0.00 C ATOM 185 NZ LYS A 80 6.970 12.341 -16.289 1.00 0.00 N ATOM 0 H LYS A 80 6.633 6.828 -13.392 1.00 0.00 H new ATOM 0 HA LYS A 80 6.192 9.001 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.239 8.125 -14.553 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.516 9.570 -13.875 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.582 10.730 -13.817 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.522 9.259 -13.964 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.908 8.973 -16.271 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.635 10.172 -16.160 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.447 11.030 -15.521 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.034 10.751 -17.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.672 13.051 -16.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.193 12.319 -16.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.594 12.590 -15.352 1.00 0.00 H new ATOM 199 N ALA A 81 3.990 9.087 -10.735 1.00 0.00 N ATOM 200 CA ALA A 81 2.727 9.112 -10.007 1.00 0.00 C ATOM 201 C ALA A 81 1.661 9.879 -10.782 1.00 0.00 C ATOM 202 O ALA A 81 1.754 11.096 -10.943 1.00 0.00 O ATOM 203 CB ALA A 81 2.924 9.724 -8.628 1.00 0.00 C ATOM 0 H ALA A 81 4.691 9.740 -10.385 1.00 0.00 H new ATOM 0 HA ALA A 81 2.384 8.084 -9.890 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.973 9.736 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.646 9.131 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.294 10.744 -8.732 1.00 0.00 H new ATOM 209 N SER A 82 0.650 9.161 -11.259 1.00 0.00 N ATOM 210 CA SER A 82 -0.431 9.774 -12.022 1.00 0.00 C ATOM 211 C SER A 82 -1.066 10.919 -11.238 1.00 0.00 C ATOM 212 O SER A 82 -1.143 12.048 -11.720 1.00 0.00 O ATOM 213 CB SER A 82 -1.493 8.730 -12.372 1.00 0.00 C ATOM 214 OG SER A 82 -2.591 9.324 -13.041 1.00 0.00 O ATOM 0 H SER A 82 0.557 8.153 -11.131 1.00 0.00 H new ATOM 0 HA SER A 82 -0.010 10.176 -12.944 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.054 7.957 -13.003 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.839 8.240 -11.462 1.00 0.00 H new ATOM 0 HG SER A 82 -3.255 8.636 -13.255 1.00 0.00 H new ATOM 220 N GLY A 83 -1.520 10.618 -10.025 1.00 0.00 N ATOM 221 CA GLY A 83 -2.143 11.631 -9.194 1.00 0.00 C ATOM 222 C GLY A 83 -2.115 11.270 -7.722 1.00 0.00 C ATOM 223 O GLY A 83 -1.112 10.765 -7.218 1.00 0.00 O ATOM 0 H GLY A 83 -1.467 9.691 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.632 12.582 -9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.176 11.772 -9.511 1.00 0.00 H new ATOM 227 N PHE A 84 -3.219 11.531 -7.030 1.00 0.00 N ATOM 228 CA PHE A 84 -3.317 11.233 -5.605 1.00 0.00 C ATOM 229 C PHE A 84 -4.526 10.347 -5.317 1.00 0.00 C ATOM 230 O PHE A 84 -5.631 10.840 -5.090 1.00 0.00 O ATOM 231 CB PHE A 84 -3.415 12.528 -4.797 1.00 0.00 C ATOM 232 CG PHE A 84 -2.954 12.383 -3.375 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.763 11.739 -3.081 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.711 12.892 -2.332 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.337 11.604 -1.773 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.290 12.760 -1.022 1.00 0.00 C ATOM 237 CZ PHE A 84 -2.100 12.116 -0.743 1.00 0.00 C ATOM 0 H PHE A 84 -4.058 11.948 -7.432 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.416 10.696 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.820 13.299 -5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.449 12.873 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.161 11.338 -3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.641 13.398 -2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.408 11.098 -1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.890 13.160 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.767 12.013 0.279 1.00 0.00 H new ATOM 247 N HIS A 85 -4.307 9.036 -5.327 1.00 0.00 N ATOM 248 CA HIS A 85 -5.378 8.080 -5.067 1.00 0.00 C ATOM 249 C HIS A 85 -5.228 7.460 -3.681 1.00 0.00 C ATOM 250 O HIS A 85 -4.116 7.172 -3.236 1.00 0.00 O ATOM 251 CB HIS A 85 -5.381 6.983 -6.132 1.00 0.00 C ATOM 252 CG HIS A 85 -5.230 7.503 -7.528 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.169 8.308 -8.137 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.240 7.330 -8.434 1.00 0.00 C ATOM 255 CE1 HIS A 85 -5.764 8.606 -9.359 1.00 0.00 C ATOM 256 NE2 HIS A 85 -4.595 8.025 -9.564 1.00 0.00 N ATOM 0 H HIS A 85 -3.398 8.611 -5.512 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.327 8.615 -5.105 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.571 6.284 -5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.313 6.422 -6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.338 6.753 -8.294 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.298 9.220 -10.069 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.046 8.083 -10.422 1.00 0.00 H new ATOM 264 N TYR A 86 -6.352 7.259 -3.003 1.00 0.00 N ATOM 265 CA TYR A 86 -6.345 6.676 -1.667 1.00 0.00 C ATOM 266 C TYR A 86 -5.433 7.466 -0.733 1.00 0.00 C ATOM 267 O TYR A 86 -4.688 6.891 0.059 1.00 0.00 O ATOM 268 CB TYR A 86 -5.891 5.217 -1.726 1.00 0.00 C ATOM 269 CG TYR A 86 -6.658 4.384 -2.728 1.00 0.00 C ATOM 270 CD1 TYR A 86 -6.276 4.340 -4.063 1.00 0.00 C ATOM 271 CD2 TYR A 86 -7.766 3.641 -2.339 1.00 0.00 C ATOM 272 CE1 TYR A 86 -6.974 3.581 -4.982 1.00 0.00 C ATOM 273 CE2 TYR A 86 -8.470 2.878 -3.251 1.00 0.00 C ATOM 274 CZ TYR A 86 -8.071 2.852 -4.571 1.00 0.00 C ATOM 275 OH TYR A 86 -8.769 2.094 -5.483 1.00 0.00 O ATOM 0 H TYR A 86 -7.280 7.491 -3.357 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.361 6.718 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.830 5.185 -1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.999 4.771 -0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.418 4.909 -4.388 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.082 3.660 -1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.663 3.558 -6.016 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.328 2.305 -2.932 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.357 2.185 -6.368 1.00 0.00 H new ATOM 285 N GLY A 87 -5.500 8.791 -0.832 1.00 0.00 N ATOM 286 CA GLY A 87 -4.677 9.640 0.009 1.00 0.00 C ATOM 287 C GLY A 87 -3.202 9.308 -0.099 1.00 0.00 C ATOM 288 O GLY A 87 -2.419 9.629 0.795 1.00 0.00 O ATOM 0 H GLY A 87 -6.109 9.291 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.833 10.682 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.995 9.536 1.046 1.00 0.00 H new ATOM 292 N VAL A 88 -2.821 8.661 -1.196 1.00 0.00 N ATOM 293 CA VAL A 88 -1.430 8.285 -1.417 1.00 0.00 C ATOM 294 C VAL A 88 -1.034 8.480 -2.877 1.00 0.00 C ATOM 295 O VAL A 88 -1.783 8.125 -3.787 1.00 0.00 O ATOM 296 CB VAL A 88 -1.175 6.819 -1.019 1.00 0.00 C ATOM 297 CG1 VAL A 88 -2.126 5.891 -1.761 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.273 6.438 -1.288 1.00 0.00 C ATOM 0 H VAL A 88 -3.456 8.386 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.822 8.935 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.362 6.713 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.931 4.860 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.155 6.151 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.974 5.997 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.435 5.399 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.490 6.559 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.933 7.082 -0.707 1.00 0.00 H new ATOM 308 N HIS A 89 0.149 9.046 -3.092 1.00 0.00 N ATOM 309 CA HIS A 89 0.647 9.288 -4.442 1.00 0.00 C ATOM 310 C HIS A 89 1.024 7.977 -5.124 1.00 0.00 C ATOM 311 O HIS A 89 2.174 7.542 -5.062 1.00 0.00 O ATOM 312 CB HIS A 89 1.856 10.223 -4.402 1.00 0.00 C ATOM 313 CG HIS A 89 1.491 11.670 -4.277 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.377 12.315 -3.063 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.216 12.599 -5.222 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.045 13.577 -3.268 1.00 0.00 C ATOM 317 NE2 HIS A 89 0.942 13.775 -4.569 1.00 0.00 N ATOM 0 H HIS A 89 0.781 9.346 -2.349 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.149 9.761 -5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.493 9.944 -3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.444 10.082 -5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.213 12.444 -6.291 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.885 14.321 -2.501 1.00 0.00 H new ATOM 0 HE2 HIS A 89 0.698 14.659 -5.017 1.00 0.00 H new ATOM 325 N ALA A 90 0.048 7.352 -5.775 1.00 0.00 N ATOM 326 CA ALA A 90 0.278 6.092 -6.470 1.00 0.00 C ATOM 327 C ALA A 90 0.051 6.242 -7.970 1.00 0.00 C ATOM 328 O ALA A 90 -0.429 7.277 -8.435 1.00 0.00 O ATOM 329 CB ALA A 90 -0.623 5.004 -5.904 1.00 0.00 C ATOM 0 H ALA A 90 -0.910 7.698 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 90 1.318 5.805 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.440 4.069 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.409 4.869 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.666 5.294 -6.029 1.00 0.00 H new ATOM 335 N CYS A 91 0.398 5.205 -8.724 1.00 0.00 N ATOM 336 CA CYS A 91 0.233 5.222 -10.172 1.00 0.00 C ATOM 337 C CYS A 91 -0.970 4.382 -10.592 1.00 0.00 C ATOM 338 O CYS A 91 -1.573 3.691 -9.772 1.00 0.00 O ATOM 339 CB CYS A 91 1.497 4.699 -10.857 1.00 0.00 C ATOM 340 SG CYS A 91 1.735 2.899 -10.705 1.00 0.00 S ATOM 0 H CYS A 91 0.796 4.341 -8.356 1.00 0.00 H new ATOM 0 HA CYS A 91 0.061 6.253 -10.481 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.460 4.962 -11.914 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.364 5.206 -10.433 1.00 0.00 H new ATOM 0 HG CYS A 91 2.948 2.654 -10.305 1.00 0.00 H new ATOM 345 N GLU A 92 -1.313 4.450 -11.875 1.00 0.00 N ATOM 346 CA GLU A 92 -2.444 3.696 -12.403 1.00 0.00 C ATOM 347 C GLU A 92 -2.223 2.196 -12.238 1.00 0.00 C ATOM 348 O GLU A 92 -3.084 1.483 -11.723 1.00 0.00 O ATOM 349 CB GLU A 92 -2.664 4.032 -13.880 1.00 0.00 C ATOM 350 CG GLU A 92 -3.428 5.326 -14.103 1.00 0.00 C ATOM 351 CD GLU A 92 -4.929 5.144 -13.991 1.00 0.00 C ATOM 352 OE1 GLU A 92 -5.385 4.608 -12.959 1.00 0.00 O ATOM 353 OE2 GLU A 92 -5.647 5.537 -14.933 1.00 0.00 O ATOM 0 H GLU A 92 -0.825 5.019 -12.567 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.332 3.978 -11.837 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.696 4.102 -14.376 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.207 3.214 -14.353 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.100 6.067 -13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.186 5.721 -15.090 1.00 0.00 H new ATOM 360 N GLY A 93 -1.062 1.722 -12.681 1.00 0.00 N ATOM 361 CA GLY A 93 -0.748 0.309 -12.574 1.00 0.00 C ATOM 362 C GLY A 93 -1.055 -0.251 -11.200 1.00 0.00 C ATOM 363 O GLY A 93 -1.677 -1.306 -11.075 1.00 0.00 O ATOM 0 H GLY A 93 -0.334 2.291 -13.112 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.315 -0.244 -13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.308 0.157 -12.797 1.00 0.00 H new ATOM 367 N CYS A 94 -0.616 0.455 -10.163 1.00 0.00 N ATOM 368 CA CYS A 94 -0.844 0.023 -8.790 1.00 0.00 C ATOM 369 C CYS A 94 -2.294 0.261 -8.379 1.00 0.00 C ATOM 370 O CYS A 94 -2.958 -0.634 -7.855 1.00 0.00 O ATOM 371 CB CYS A 94 0.096 0.763 -7.837 1.00 0.00 C ATOM 372 SG CYS A 94 1.859 0.372 -8.079 1.00 0.00 S ATOM 0 H CYS A 94 -0.099 1.330 -10.248 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.639 -1.046 -8.733 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.048 1.836 -7.963 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.181 0.522 -6.811 1.00 0.00 H new ATOM 0 HG CYS A 94 2.339 1.107 -9.038 1.00 0.00 H new ATOM 377 N LYS A 95 -2.780 1.474 -8.620 1.00 0.00 N ATOM 378 CA LYS A 95 -4.151 1.831 -8.277 1.00 0.00 C ATOM 379 C LYS A 95 -5.115 0.710 -8.650 1.00 0.00 C ATOM 380 O LYS A 95 -5.803 0.158 -7.792 1.00 0.00 O ATOM 381 CB LYS A 95 -4.556 3.124 -8.989 1.00 0.00 C ATOM 382 CG LYS A 95 -6.008 3.511 -8.768 1.00 0.00 C ATOM 383 CD LYS A 95 -6.561 4.296 -9.945 1.00 0.00 C ATOM 384 CE LYS A 95 -8.079 4.216 -10.005 1.00 0.00 C ATOM 385 NZ LYS A 95 -8.704 4.559 -8.698 1.00 0.00 N ATOM 0 H LYS A 95 -2.244 2.227 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.201 1.985 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.916 3.935 -8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.378 3.011 -10.058 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.606 2.612 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.092 4.108 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.253 5.339 -9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.138 3.909 -10.872 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.448 4.895 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.378 3.210 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.727 4.692 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.538 3.788 -8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.284 5.437 -8.332 1.00 0.00 H new ATOM 399 N GLY A 96 -5.160 0.377 -9.937 1.00 0.00 N ATOM 400 CA GLY A 96 -6.042 -0.678 -10.400 1.00 0.00 C ATOM 401 C GLY A 96 -5.840 -1.976 -9.644 1.00 0.00 C ATOM 402 O GLY A 96 -6.804 -2.666 -9.310 1.00 0.00 O ATOM 0 H GLY A 96 -4.601 0.819 -10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.077 -0.355 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.871 -0.850 -11.463 1.00 0.00 H new ATOM 406 N PHE A 97 -4.583 -2.313 -9.375 1.00 0.00 N ATOM 407 CA PHE A 97 -4.257 -3.539 -8.657 1.00 0.00 C ATOM 408 C PHE A 97 -4.900 -3.546 -7.273 1.00 0.00 C ATOM 409 O PHE A 97 -5.637 -4.469 -6.924 1.00 0.00 O ATOM 410 CB PHE A 97 -2.740 -3.691 -8.527 1.00 0.00 C ATOM 411 CG PHE A 97 -2.325 -4.819 -7.626 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.214 -4.626 -6.258 1.00 0.00 C ATOM 413 CD2 PHE A 97 -2.046 -6.072 -8.146 1.00 0.00 C ATOM 414 CE1 PHE A 97 -1.834 -5.662 -5.426 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.665 -7.112 -7.319 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.558 -6.906 -5.957 1.00 0.00 C ATOM 0 H PHE A 97 -3.773 -1.754 -9.644 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.652 -4.380 -9.227 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.313 -3.852 -9.517 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.321 -2.760 -8.146 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.427 -3.654 -5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.127 -6.238 -9.210 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.753 -5.499 -4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.451 -8.085 -7.737 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.259 -7.717 -5.309 1.00 0.00 H new ATOM 426 N PHE A 98 -4.616 -2.511 -6.490 1.00 0.00 N ATOM 427 CA PHE A 98 -5.165 -2.398 -5.144 1.00 0.00 C ATOM 428 C PHE A 98 -6.680 -2.581 -5.157 1.00 0.00 C ATOM 429 O PHE A 98 -7.220 -3.428 -4.446 1.00 0.00 O ATOM 430 CB PHE A 98 -4.809 -1.039 -4.537 1.00 0.00 C ATOM 431 CG PHE A 98 -5.254 -0.884 -3.111 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.509 -1.427 -2.076 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.417 -0.195 -2.805 1.00 0.00 C ATOM 434 CE1 PHE A 98 -4.915 -1.285 -0.763 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.828 -0.050 -1.494 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.077 -0.597 -0.471 1.00 0.00 C ATOM 0 H PHE A 98 -4.009 -1.739 -6.764 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.727 -3.187 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.729 -0.898 -4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.263 -0.251 -5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.601 -1.967 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -7.009 0.233 -3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.325 -1.711 0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.736 0.490 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.398 -0.487 0.554 1.00 0.00 H new ATOM 446 N ARG A 99 -7.359 -1.779 -5.970 1.00 0.00 N ATOM 447 CA ARG A 99 -8.812 -1.850 -6.075 1.00 0.00 C ATOM 448 C ARG A 99 -9.260 -3.254 -6.469 1.00 0.00 C ATOM 449 O ARG A 99 -10.025 -3.897 -5.749 1.00 0.00 O ATOM 450 CB ARG A 99 -9.321 -0.834 -7.100 1.00 0.00 C ATOM 451 CG ARG A 99 -10.828 -0.642 -7.071 1.00 0.00 C ATOM 452 CD ARG A 99 -11.236 0.667 -7.729 1.00 0.00 C ATOM 453 NE ARG A 99 -11.174 1.790 -6.798 1.00 0.00 N ATOM 454 CZ ARG A 99 -11.880 2.906 -6.945 1.00 0.00 C ATOM 455 NH1 ARG A 99 -12.697 3.046 -7.979 1.00 0.00 N ATOM 456 NH2 ARG A 99 -11.769 3.884 -6.055 1.00 0.00 N ATOM 0 H ARG A 99 -6.927 -1.073 -6.566 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.234 -1.613 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.837 0.126 -6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.024 -1.157 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.312 -1.474 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.178 -0.656 -6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.583 0.864 -8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.249 0.576 -8.120 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.555 1.714 -5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.785 2.296 -8.665 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.238 3.904 -8.089 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.142 3.779 -5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.311 4.741 -6.168 1.00 0.00 H new ATOM 470 N ARG A 100 -8.780 -3.723 -7.616 1.00 0.00 N ATOM 471 CA ARG A 100 -9.132 -5.050 -8.106 1.00 0.00 C ATOM 472 C ARG A 100 -9.109 -6.072 -6.973 1.00 0.00 C ATOM 473 O ARG A 100 -10.047 -6.852 -6.806 1.00 0.00 O ATOM 474 CB ARG A 100 -8.170 -5.480 -9.215 1.00 0.00 C ATOM 475 CG ARG A 100 -8.314 -6.940 -9.614 1.00 0.00 C ATOM 476 CD ARG A 100 -7.942 -7.158 -11.072 1.00 0.00 C ATOM 477 NE ARG A 100 -7.591 -8.549 -11.346 1.00 0.00 N ATOM 478 CZ ARG A 100 -6.835 -8.928 -12.370 1.00 0.00 C ATOM 479 NH1 ARG A 100 -6.352 -8.025 -13.212 1.00 0.00 N ATOM 480 NH2 ARG A 100 -6.560 -10.213 -12.552 1.00 0.00 N ATOM 0 H ARG A 100 -8.146 -3.204 -8.223 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.143 -5.004 -8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.337 -4.854 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.146 -5.301 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.678 -7.556 -8.979 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.341 -7.264 -9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.777 -6.863 -11.707 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.102 -6.514 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.946 -9.269 -10.716 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.561 -7.036 -13.074 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.772 -8.319 -13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.929 -10.910 -11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.979 -10.504 -13.339 1.00 0.00 H new ATOM 494 N THR A 101 -8.030 -6.063 -6.197 1.00 0.00 N ATOM 495 CA THR A 101 -7.883 -6.989 -5.081 1.00 0.00 C ATOM 496 C THR A 101 -9.043 -6.858 -4.101 1.00 0.00 C ATOM 497 O THR A 101 -9.576 -7.857 -3.618 1.00 0.00 O ATOM 498 CB THR A 101 -6.560 -6.756 -4.328 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.458 -6.827 -5.240 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.377 -7.786 -3.223 1.00 0.00 C ATOM 0 H THR A 101 -7.245 -5.424 -6.321 1.00 0.00 H new ATOM 0 HA THR A 101 -7.880 -7.994 -5.503 1.00 0.00 H new ATOM 0 HB THR A 101 -6.595 -5.764 -3.877 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.447 -6.025 -5.803 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.436 -7.601 -2.705 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.202 -7.710 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.362 -8.786 -3.657 1.00 0.00 H new ATOM 508 N ILE A 102 -9.429 -5.620 -3.812 1.00 0.00 N ATOM 509 CA ILE A 102 -10.528 -5.358 -2.890 1.00 0.00 C ATOM 510 C ILE A 102 -11.854 -5.844 -3.464 1.00 0.00 C ATOM 511 O ILE A 102 -12.486 -6.747 -2.916 1.00 0.00 O ATOM 512 CB ILE A 102 -10.642 -3.858 -2.561 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.354 -3.359 -1.903 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.838 -3.604 -1.656 1.00 0.00 C ATOM 515 CD1 ILE A 102 -9.027 -4.062 -0.604 1.00 0.00 C ATOM 0 H ILE A 102 -8.997 -4.783 -4.203 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.309 -5.906 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.790 -3.307 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.525 -3.493 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.443 -2.289 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.905 -2.539 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.750 -3.928 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.717 -4.163 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.102 -3.657 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.838 -3.907 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.906 -5.129 -0.788 1.00 0.00 H new ATOM 527 N ARG A 103 -12.270 -5.239 -4.572 1.00 0.00 N ATOM 528 CA ARG A 103 -13.522 -5.609 -5.221 1.00 0.00 C ATOM 529 C ARG A 103 -13.593 -7.117 -5.442 1.00 0.00 C ATOM 530 O ARG A 103 -14.644 -7.732 -5.260 1.00 0.00 O ATOM 531 CB ARG A 103 -13.663 -4.880 -6.558 1.00 0.00 C ATOM 532 CG ARG A 103 -12.676 -5.348 -7.615 1.00 0.00 C ATOM 533 CD ARG A 103 -12.788 -4.523 -8.887 1.00 0.00 C ATOM 534 NE ARG A 103 -12.279 -5.241 -10.052 1.00 0.00 N ATOM 535 CZ ARG A 103 -12.950 -6.207 -10.671 1.00 0.00 C ATOM 536 NH1 ARG A 103 -14.150 -6.567 -10.237 1.00 0.00 N ATOM 537 NH2 ARG A 103 -12.420 -6.814 -11.725 1.00 0.00 N ATOM 0 H ARG A 103 -11.758 -4.490 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.343 -5.315 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.677 -5.020 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.528 -3.811 -6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.661 -5.278 -7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.858 -6.398 -7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -13.831 -4.254 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.235 -3.592 -8.765 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.358 -4.987 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.560 -6.102 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.663 -7.309 -10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.497 -6.539 -12.061 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.936 -7.555 -12.199 1.00 0.00 H new ATOM 551 N MET A 104 -12.469 -7.707 -5.837 1.00 0.00 N ATOM 552 CA MET A 104 -12.405 -9.143 -6.082 1.00 0.00 C ATOM 553 C MET A 104 -12.142 -9.904 -4.787 1.00 0.00 C ATOM 554 O MET A 104 -12.338 -11.118 -4.717 1.00 0.00 O ATOM 555 CB MET A 104 -11.312 -9.459 -7.104 1.00 0.00 C ATOM 556 CG MET A 104 -11.561 -8.842 -8.471 1.00 0.00 C ATOM 557 SD MET A 104 -10.509 -9.547 -9.754 1.00 0.00 S ATOM 558 CE MET A 104 -11.077 -11.246 -9.762 1.00 0.00 C ATOM 0 H MET A 104 -11.591 -7.213 -5.994 1.00 0.00 H new ATOM 0 HA MET A 104 -13.368 -9.462 -6.481 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.355 -9.102 -6.722 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.229 -10.540 -7.212 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.606 -8.985 -8.745 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.390 -7.767 -8.417 1.00 0.00 H new ATOM 0 HE1 MET A 104 -10.238 -11.911 -9.557 1.00 0.00 H new ATOM 0 HE2 MET A 104 -11.841 -11.378 -8.996 1.00 0.00 H new ATOM 0 HE3 MET A 104 -11.498 -11.484 -10.739 1.00 0.00 H new ATOM 568 N LYS A 105 -11.696 -9.184 -3.763 1.00 0.00 N ATOM 569 CA LYS A 105 -11.407 -9.791 -2.469 1.00 0.00 C ATOM 570 C LYS A 105 -10.449 -10.969 -2.622 1.00 0.00 C ATOM 571 O LYS A 105 -10.678 -12.044 -2.067 1.00 0.00 O ATOM 572 CB LYS A 105 -12.702 -10.257 -1.800 1.00 0.00 C ATOM 573 CG LYS A 105 -13.378 -9.181 -0.968 1.00 0.00 C ATOM 574 CD LYS A 105 -12.720 -9.032 0.393 1.00 0.00 C ATOM 575 CE LYS A 105 -13.545 -8.148 1.317 1.00 0.00 C ATOM 576 NZ LYS A 105 -14.702 -8.882 1.899 1.00 0.00 N ATOM 0 H LYS A 105 -11.527 -8.179 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.932 -9.038 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.395 -10.599 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.484 -11.114 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.337 -8.230 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.432 -9.428 -0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.592 -10.015 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.724 -8.605 0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.912 -7.772 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.906 -7.281 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.239 -8.246 2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.320 -9.219 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.357 -9.695 2.448 1.00 0.00 H new ATOM 590 N LEU A 106 -9.377 -10.759 -3.377 1.00 0.00 N ATOM 591 CA LEU A 106 -8.383 -11.803 -3.603 1.00 0.00 C ATOM 592 C LEU A 106 -7.471 -11.957 -2.390 1.00 0.00 C ATOM 593 O LEU A 106 -6.838 -10.997 -1.952 1.00 0.00 O ATOM 594 CB LEU A 106 -7.550 -11.482 -4.844 1.00 0.00 C ATOM 595 CG LEU A 106 -8.335 -11.173 -6.119 1.00 0.00 C ATOM 596 CD1 LEU A 106 -7.420 -10.582 -7.180 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.020 -12.427 -6.641 1.00 0.00 C ATOM 0 H LEU A 106 -9.173 -9.875 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 106 -8.910 -12.744 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.913 -10.627 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.891 -12.327 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.103 -10.437 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.997 -10.369 -8.080 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.977 -9.659 -6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.629 -11.294 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.574 -12.188 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.270 -13.186 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.708 -12.807 -5.886 1.00 0.00 H new ATOM 609 N GLU A 107 -7.408 -13.172 -1.854 1.00 0.00 N ATOM 610 CA GLU A 107 -6.572 -13.452 -0.692 1.00 0.00 C ATOM 611 C GLU A 107 -5.202 -13.970 -1.120 1.00 0.00 C ATOM 612 O GLU A 107 -5.096 -14.807 -2.017 1.00 0.00 O ATOM 613 CB GLU A 107 -7.254 -14.473 0.221 1.00 0.00 C ATOM 614 CG GLU A 107 -6.880 -14.324 1.686 1.00 0.00 C ATOM 615 CD GLU A 107 -5.407 -14.578 1.941 1.00 0.00 C ATOM 616 OE1 GLU A 107 -4.882 -15.588 1.427 1.00 0.00 O ATOM 617 OE2 GLU A 107 -4.779 -13.768 2.653 1.00 0.00 O ATOM 0 H GLU A 107 -7.925 -13.978 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.434 -12.521 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.335 -14.375 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.992 -15.477 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.135 -13.319 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.473 -15.019 2.281 1.00 0.00 H new ATOM 624 N TYR A 108 -4.157 -13.468 -0.473 1.00 0.00 N ATOM 625 CA TYR A 108 -2.794 -13.877 -0.787 1.00 0.00 C ATOM 626 C TYR A 108 -2.138 -14.556 0.412 1.00 0.00 C ATOM 627 O TYR A 108 -2.558 -14.365 1.552 1.00 0.00 O ATOM 628 CB TYR A 108 -1.963 -12.668 -1.220 1.00 0.00 C ATOM 629 CG TYR A 108 -2.451 -12.024 -2.498 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.607 -12.769 -3.660 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.758 -10.669 -2.542 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.053 -12.184 -4.829 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.206 -10.076 -3.707 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.351 -10.837 -4.848 1.00 0.00 C ATOM 635 OH TYR A 108 -3.796 -10.251 -6.010 1.00 0.00 O ATOM 0 H TYR A 108 -4.228 -12.776 0.273 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.837 -14.593 -1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.974 -11.926 -0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.927 -12.979 -1.352 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.376 -13.824 -3.649 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.644 -10.070 -1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.168 -12.778 -5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.441 -9.022 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.962 -9.298 -5.853 1.00 0.00 H new ATOM 645 N GLU A 109 -1.106 -15.349 0.143 1.00 0.00 N ATOM 646 CA GLU A 109 -0.392 -16.056 1.200 1.00 0.00 C ATOM 647 C GLU A 109 0.683 -15.168 1.819 1.00 0.00 C ATOM 648 O GLU A 109 1.607 -14.724 1.137 1.00 0.00 O ATOM 649 CB GLU A 109 0.243 -17.335 0.649 1.00 0.00 C ATOM 650 CG GLU A 109 0.477 -18.402 1.705 1.00 0.00 C ATOM 651 CD GLU A 109 1.218 -17.871 2.917 1.00 0.00 C ATOM 652 OE1 GLU A 109 2.465 -17.835 2.882 1.00 0.00 O ATOM 653 OE2 GLU A 109 0.549 -17.490 3.900 1.00 0.00 O ATOM 0 H GLU A 109 -0.746 -15.518 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.111 -16.320 1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.400 -17.743 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.195 -17.085 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.482 -18.812 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 109 1.045 -19.223 1.267 1.00 0.00 H new ATOM 660 N LYS A 110 0.556 -14.913 3.117 1.00 0.00 N ATOM 661 CA LYS A 110 1.515 -14.079 3.831 1.00 0.00 C ATOM 662 C LYS A 110 2.940 -14.375 3.373 1.00 0.00 C ATOM 663 O LYS A 110 3.434 -15.492 3.530 1.00 0.00 O ATOM 664 CB LYS A 110 1.395 -14.305 5.339 1.00 0.00 C ATOM 665 CG LYS A 110 2.297 -13.401 6.163 1.00 0.00 C ATOM 666 CD LYS A 110 3.655 -14.038 6.403 1.00 0.00 C ATOM 667 CE LYS A 110 3.656 -14.894 7.660 1.00 0.00 C ATOM 668 NZ LYS A 110 3.690 -14.064 8.896 1.00 0.00 N ATOM 0 H LYS A 110 -0.203 -15.273 3.696 1.00 0.00 H new ATOM 0 HA LYS A 110 1.290 -13.036 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.360 -14.144 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.635 -15.345 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.427 -12.449 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.821 -13.185 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.927 -14.651 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.413 -13.259 6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 110 2.767 -15.525 7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.519 -15.560 7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.877 -14.673 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.443 -13.351 8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.774 -13.587 9.019 1.00 0.00 H new ATOM 682 N CYS A 111 3.597 -13.367 2.808 1.00 0.00 N ATOM 683 CA CYS A 111 4.965 -13.519 2.329 1.00 0.00 C ATOM 684 C CYS A 111 5.957 -12.899 3.310 1.00 0.00 C ATOM 685 O CYS A 111 6.242 -11.704 3.246 1.00 0.00 O ATOM 686 CB CYS A 111 5.120 -12.870 0.952 1.00 0.00 C ATOM 687 SG CYS A 111 6.775 -13.073 0.217 1.00 0.00 S ATOM 0 H CYS A 111 3.203 -12.436 2.671 1.00 0.00 H new ATOM 0 HA CYS A 111 5.179 -14.585 2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.379 -13.296 0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 111 4.900 -11.806 1.037 1.00 0.00 H new ATOM 0 HG CYS A 111 6.999 -12.105 -0.622 1.00 0.00 H new ATOM 692 N GLU A 112 6.478 -13.722 4.215 1.00 0.00 N ATOM 693 CA GLU A 112 7.437 -13.254 5.209 1.00 0.00 C ATOM 694 C GLU A 112 8.609 -12.541 4.540 1.00 0.00 C ATOM 695 O GLU A 112 9.017 -11.461 4.966 1.00 0.00 O ATOM 696 CB GLU A 112 7.949 -14.427 6.047 1.00 0.00 C ATOM 697 CG GLU A 112 6.866 -15.109 6.865 1.00 0.00 C ATOM 698 CD GLU A 112 7.267 -16.499 7.321 1.00 0.00 C ATOM 699 OE1 GLU A 112 7.784 -17.271 6.488 1.00 0.00 O ATOM 700 OE2 GLU A 112 7.064 -16.813 8.513 1.00 0.00 O ATOM 0 H GLU A 112 6.252 -14.715 4.280 1.00 0.00 H new ATOM 0 HA GLU A 112 6.929 -12.545 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.410 -15.161 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.729 -14.069 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.635 -14.497 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.954 -15.174 6.271 1.00 0.00 H new ATOM 707 N ARG A 113 9.147 -13.156 3.492 1.00 0.00 N ATOM 708 CA ARG A 113 10.274 -12.582 2.765 1.00 0.00 C ATOM 709 C ARG A 113 10.173 -11.060 2.720 1.00 0.00 C ATOM 710 O ARG A 113 11.174 -10.358 2.866 1.00 0.00 O ATOM 711 CB ARG A 113 10.329 -13.143 1.343 1.00 0.00 C ATOM 712 CG ARG A 113 10.915 -14.543 1.263 1.00 0.00 C ATOM 713 CD ARG A 113 12.410 -14.538 1.545 1.00 0.00 C ATOM 714 NE ARG A 113 13.049 -15.783 1.126 1.00 0.00 N ATOM 715 CZ ARG A 113 13.034 -16.897 1.849 1.00 0.00 C ATOM 716 NH1 ARG A 113 12.415 -16.922 3.021 1.00 0.00 N ATOM 717 NH2 ARG A 113 13.639 -17.989 1.400 1.00 0.00 N ATOM 0 H ARG A 113 8.821 -14.051 3.127 1.00 0.00 H new ATOM 0 HA ARG A 113 11.190 -12.853 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.321 -13.156 0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 113 10.922 -12.474 0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 113 10.411 -15.191 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.732 -14.959 0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.874 -13.699 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.578 -14.385 2.611 1.00 0.00 H new ATOM 0 HE ARG A 113 13.534 -15.798 0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.949 -16.084 3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.405 -17.779 3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.116 -17.974 0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.627 -18.844 1.956 1.00 0.00 H new ATOM 731 N SER A 114 8.960 -10.558 2.517 1.00 0.00 N ATOM 732 CA SER A 114 8.729 -9.120 2.448 1.00 0.00 C ATOM 733 C SER A 114 9.406 -8.519 1.220 1.00 0.00 C ATOM 734 O SER A 114 10.055 -7.476 1.301 1.00 0.00 O ATOM 735 CB SER A 114 9.249 -8.438 3.715 1.00 0.00 C ATOM 736 OG SER A 114 8.775 -7.105 3.807 1.00 0.00 O ATOM 0 H SER A 114 8.121 -11.126 2.397 1.00 0.00 H new ATOM 0 HA SER A 114 7.655 -8.953 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.931 -9.002 4.592 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.339 -8.441 3.712 1.00 0.00 H new ATOM 0 HG SER A 114 9.082 -6.594 3.029 1.00 0.00 H new ATOM 742 N CYS A 115 9.251 -9.186 0.081 1.00 0.00 N ATOM 743 CA CYS A 115 9.847 -8.721 -1.166 1.00 0.00 C ATOM 744 C CYS A 115 9.784 -7.200 -1.264 1.00 0.00 C ATOM 745 O CYS A 115 8.839 -6.574 -0.784 1.00 0.00 O ATOM 746 CB CYS A 115 9.132 -9.351 -2.363 1.00 0.00 C ATOM 747 SG CYS A 115 8.810 -11.135 -2.183 1.00 0.00 S ATOM 0 H CYS A 115 8.717 -10.051 -0.004 1.00 0.00 H new ATOM 0 HA CYS A 115 10.894 -9.025 -1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.184 -8.836 -2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.733 -9.190 -3.258 1.00 0.00 H new ATOM 0 HG CYS A 115 7.545 -11.368 -2.368 1.00 0.00 H new ATOM 752 N LYS A 116 10.796 -6.610 -1.891 1.00 0.00 N ATOM 753 CA LYS A 116 10.857 -5.163 -2.055 1.00 0.00 C ATOM 754 C LYS A 116 10.208 -4.736 -3.367 1.00 0.00 C ATOM 755 O LYS A 116 10.748 -4.982 -4.446 1.00 0.00 O ATOM 756 CB LYS A 116 12.311 -4.685 -2.013 1.00 0.00 C ATOM 757 CG LYS A 116 13.031 -5.039 -0.724 1.00 0.00 C ATOM 758 CD LYS A 116 12.512 -4.222 0.448 1.00 0.00 C ATOM 759 CE LYS A 116 13.447 -4.306 1.644 1.00 0.00 C ATOM 760 NZ LYS A 116 13.204 -3.204 2.616 1.00 0.00 N ATOM 0 H LYS A 116 11.586 -7.113 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 116 10.307 -4.706 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.852 -5.121 -2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.333 -3.603 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.902 -6.101 -0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.100 -4.866 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.399 -3.181 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.523 -4.580 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.314 -5.266 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.481 -4.266 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.861 -3.296 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.356 -2.288 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.225 -3.257 2.963 1.00 0.00 H new ATOM 774 N ILE A 117 9.048 -4.096 -3.267 1.00 0.00 N ATOM 775 CA ILE A 117 8.328 -3.633 -4.447 1.00 0.00 C ATOM 776 C ILE A 117 9.098 -2.529 -5.163 1.00 0.00 C ATOM 777 O ILE A 117 9.198 -1.407 -4.668 1.00 0.00 O ATOM 778 CB ILE A 117 6.926 -3.111 -4.082 1.00 0.00 C ATOM 779 CG1 ILE A 117 6.120 -4.203 -3.374 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.197 -2.632 -5.328 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.801 -5.388 -4.259 1.00 0.00 C ATOM 0 H ILE A 117 8.587 -3.886 -2.382 1.00 0.00 H new ATOM 0 HA ILE A 117 8.226 -4.491 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 117 7.035 -2.266 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.678 -4.549 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.188 -3.774 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.208 -2.266 -5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.765 -1.827 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 117 6.095 -3.459 -6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.229 -6.122 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.216 -5.055 -5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.729 -5.842 -4.608 1.00 0.00 H new ATOM 793 N GLN A 118 9.638 -2.855 -6.333 1.00 0.00 N ATOM 794 CA GLN A 118 10.399 -1.890 -7.118 1.00 0.00 C ATOM 795 C GLN A 118 9.739 -1.650 -8.472 1.00 0.00 C ATOM 796 O GLN A 118 8.919 -2.449 -8.926 1.00 0.00 O ATOM 797 CB GLN A 118 11.834 -2.380 -7.317 1.00 0.00 C ATOM 798 CG GLN A 118 12.668 -2.349 -6.046 1.00 0.00 C ATOM 799 CD GLN A 118 14.009 -3.038 -6.211 1.00 0.00 C ATOM 800 OE1 GLN A 118 14.710 -2.828 -7.201 1.00 0.00 O ATOM 801 NE2 GLN A 118 14.372 -3.867 -5.239 1.00 0.00 N ATOM 0 H GLN A 118 9.563 -3.779 -6.758 1.00 0.00 H new ATOM 0 HA GLN A 118 10.418 -0.948 -6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.811 -3.399 -7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.318 -1.764 -8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 118 12.830 -1.313 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.113 -2.830 -5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 118 13.759 -4.011 -4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 118 15.263 -4.360 -5.295 1.00 0.00 H new ATOM 810 N LYS A 119 10.102 -0.544 -9.114 1.00 0.00 N ATOM 811 CA LYS A 119 9.547 -0.198 -10.417 1.00 0.00 C ATOM 812 C LYS A 119 10.016 -1.180 -11.486 1.00 0.00 C ATOM 813 O LYS A 119 9.233 -1.614 -12.332 1.00 0.00 O ATOM 814 CB LYS A 119 9.951 1.226 -10.805 1.00 0.00 C ATOM 815 CG LYS A 119 11.450 1.410 -10.965 1.00 0.00 C ATOM 816 CD LYS A 119 11.789 2.799 -11.481 1.00 0.00 C ATOM 817 CE LYS A 119 11.482 2.932 -12.965 1.00 0.00 C ATOM 818 NZ LYS A 119 12.409 2.117 -13.798 1.00 0.00 N ATOM 0 H LYS A 119 10.779 0.128 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 119 8.461 -0.255 -10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.459 1.492 -11.740 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.587 1.918 -10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.942 1.247 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.838 0.660 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.222 3.544 -10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.845 3.005 -11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.455 2.619 -13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.555 3.979 -13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.380 2.455 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.377 2.207 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.118 1.119 -13.766 1.00 0.00 H new ATOM 832 N LYS A 120 11.298 -1.527 -11.443 1.00 0.00 N ATOM 833 CA LYS A 120 11.871 -2.460 -12.405 1.00 0.00 C ATOM 834 C LYS A 120 11.092 -3.771 -12.423 1.00 0.00 C ATOM 835 O LYS A 120 10.729 -4.274 -13.486 1.00 0.00 O ATOM 836 CB LYS A 120 13.340 -2.732 -12.071 1.00 0.00 C ATOM 837 CG LYS A 120 13.961 -3.835 -12.910 1.00 0.00 C ATOM 838 CD LYS A 120 14.546 -3.290 -14.202 1.00 0.00 C ATOM 839 CE LYS A 120 13.521 -3.300 -15.326 1.00 0.00 C ATOM 840 NZ LYS A 120 13.552 -4.575 -16.094 1.00 0.00 N ATOM 0 H LYS A 120 11.960 -1.175 -10.751 1.00 0.00 H new ATOM 0 HA LYS A 120 11.807 -2.007 -13.394 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.912 -1.815 -12.212 1.00 0.00 H new ATOM 0 HB3 LYS A 120 13.421 -2.999 -11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.743 -4.333 -12.337 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.206 -4.587 -13.140 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.901 -2.272 -14.041 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.411 -3.887 -14.491 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.525 -3.151 -14.910 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.713 -2.465 -16.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.839 -4.542 -16.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.495 -4.705 -16.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.343 -5.370 -15.456 1.00 0.00 H new ATOM 854 N ASN A 121 10.837 -4.319 -11.240 1.00 0.00 N ATOM 855 CA ASN A 121 10.100 -5.572 -11.120 1.00 0.00 C ATOM 856 C ASN A 121 8.984 -5.450 -10.088 1.00 0.00 C ATOM 857 O ASN A 121 9.139 -5.864 -8.939 1.00 0.00 O ATOM 858 CB ASN A 121 11.047 -6.710 -10.733 1.00 0.00 C ATOM 859 CG ASN A 121 12.185 -6.877 -11.720 1.00 0.00 C ATOM 860 OD1 ASN A 121 12.046 -6.564 -12.903 1.00 0.00 O ATOM 861 ND2 ASN A 121 13.319 -7.372 -11.238 1.00 0.00 N ATOM 0 H ASN A 121 11.130 -3.915 -10.350 1.00 0.00 H new ATOM 0 HA ASN A 121 9.652 -5.795 -12.088 1.00 0.00 H new ATOM 0 HB2 ASN A 121 11.456 -6.517 -9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.484 -7.642 -10.671 1.00 0.00 H new ATOM 0 HD21 ASN A 121 14.120 -7.507 -11.855 1.00 0.00 H new ATOM 0 HD22 ASN A 121 13.389 -7.618 -10.251 1.00 0.00 H new ATOM 868 N ARG A 122 7.859 -4.879 -10.505 1.00 0.00 N ATOM 869 CA ARG A 122 6.716 -4.702 -9.617 1.00 0.00 C ATOM 870 C ARG A 122 5.817 -5.934 -9.635 1.00 0.00 C ATOM 871 O ARG A 122 5.175 -6.261 -8.638 1.00 0.00 O ATOM 872 CB ARG A 122 5.913 -3.465 -10.024 1.00 0.00 C ATOM 873 CG ARG A 122 5.345 -3.545 -11.432 1.00 0.00 C ATOM 874 CD ARG A 122 4.611 -2.267 -11.809 1.00 0.00 C ATOM 875 NE ARG A 122 4.084 -2.321 -13.170 1.00 0.00 N ATOM 876 CZ ARG A 122 3.826 -1.242 -13.901 1.00 0.00 C ATOM 877 NH1 ARG A 122 4.046 -0.033 -13.404 1.00 0.00 N ATOM 878 NH2 ARG A 122 3.347 -1.372 -15.132 1.00 0.00 N ATOM 0 H ARG A 122 7.714 -4.531 -11.453 1.00 0.00 H new ATOM 0 HA ARG A 122 7.094 -4.564 -8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.094 -3.325 -9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.553 -2.586 -9.949 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.152 -3.725 -12.142 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.663 -4.392 -11.503 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.792 -2.099 -11.109 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.289 -1.418 -11.716 1.00 0.00 H new ATOM 0 HE ARG A 122 3.904 -3.237 -13.582 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.414 0.070 -12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.847 0.794 -13.967 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.177 -2.301 -15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.149 -0.543 -15.692 1.00 0.00 H new ATOM 892 N ASN A 123 5.776 -6.614 -10.776 1.00 0.00 N ATOM 893 CA ASN A 123 4.955 -7.810 -10.925 1.00 0.00 C ATOM 894 C ASN A 123 5.699 -9.046 -10.430 1.00 0.00 C ATOM 895 O ASN A 123 5.732 -10.076 -11.104 1.00 0.00 O ATOM 896 CB ASN A 123 4.550 -7.997 -12.388 1.00 0.00 C ATOM 897 CG ASN A 123 3.377 -8.945 -12.547 1.00 0.00 C ATOM 898 OD1 ASN A 123 2.561 -9.098 -11.638 1.00 0.00 O ATOM 899 ND2 ASN A 123 3.287 -9.587 -13.706 1.00 0.00 N ATOM 0 H ASN A 123 6.302 -6.357 -11.611 1.00 0.00 H new ATOM 0 HA ASN A 123 4.057 -7.682 -10.320 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.292 -7.029 -12.817 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.401 -8.379 -12.952 1.00 0.00 H new ATOM 0 HD21 ASN A 123 2.519 -10.237 -13.870 1.00 0.00 H new ATOM 0 HD22 ASN A 123 3.986 -9.430 -14.432 1.00 0.00 H new ATOM 906 N LYS A 124 6.296 -8.937 -9.248 1.00 0.00 N ATOM 907 CA LYS A 124 7.039 -10.045 -8.660 1.00 0.00 C ATOM 908 C LYS A 124 6.199 -10.768 -7.612 1.00 0.00 C ATOM 909 O LYS A 124 5.891 -11.952 -7.756 1.00 0.00 O ATOM 910 CB LYS A 124 8.336 -9.538 -8.027 1.00 0.00 C ATOM 911 CG LYS A 124 9.367 -10.629 -7.794 1.00 0.00 C ATOM 912 CD LYS A 124 10.750 -10.048 -7.554 1.00 0.00 C ATOM 913 CE LYS A 124 10.978 -9.741 -6.081 1.00 0.00 C ATOM 914 NZ LYS A 124 11.201 -10.980 -5.285 1.00 0.00 N ATOM 0 H LYS A 124 6.280 -8.091 -8.678 1.00 0.00 H new ATOM 0 HA LYS A 124 7.281 -10.749 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.769 -8.772 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.103 -9.061 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.071 -11.233 -6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.396 -11.294 -8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.507 -10.751 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.869 -9.136 -8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.840 -9.082 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.116 -9.204 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.567 -10.727 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.302 -11.492 -5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.890 -11.587 -5.773 1.00 0.00 H new ATOM 928 N CYS A 125 5.829 -10.049 -6.557 1.00 0.00 N ATOM 929 CA CYS A 125 5.023 -10.621 -5.485 1.00 0.00 C ATOM 930 C CYS A 125 3.672 -9.919 -5.386 1.00 0.00 C ATOM 931 O CYS A 125 3.577 -8.707 -5.576 1.00 0.00 O ATOM 932 CB CYS A 125 5.764 -10.516 -4.151 1.00 0.00 C ATOM 933 SG CYS A 125 5.079 -11.573 -2.835 1.00 0.00 S ATOM 0 H CYS A 125 6.075 -9.068 -6.422 1.00 0.00 H new ATOM 0 HA CYS A 125 4.850 -11.672 -5.715 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.810 -10.780 -4.307 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.743 -9.479 -3.817 1.00 0.00 H new ATOM 0 HG CYS A 125 5.354 -11.055 -1.675 1.00 0.00 H new ATOM 938 N GLN A 126 2.631 -10.690 -5.089 1.00 0.00 N ATOM 939 CA GLN A 126 1.286 -10.142 -4.965 1.00 0.00 C ATOM 940 C GLN A 126 1.023 -9.660 -3.542 1.00 0.00 C ATOM 941 O GLN A 126 0.647 -8.507 -3.326 1.00 0.00 O ATOM 942 CB GLN A 126 0.246 -11.192 -5.360 1.00 0.00 C ATOM 943 CG GLN A 126 0.349 -11.634 -6.811 1.00 0.00 C ATOM 944 CD GLN A 126 1.638 -12.375 -7.106 1.00 0.00 C ATOM 945 OE1 GLN A 126 1.937 -13.395 -6.484 1.00 0.00 O ATOM 946 NE2 GLN A 126 2.410 -11.865 -8.058 1.00 0.00 N ATOM 0 H GLN A 126 2.693 -11.696 -4.930 1.00 0.00 H new ATOM 0 HA GLN A 126 1.205 -9.289 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.358 -12.063 -4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.751 -10.789 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.498 -12.276 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.281 -10.760 -7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.123 -11.018 -8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 126 3.290 -12.321 -8.300 1.00 0.00 H new ATOM 955 N TYR A 127 1.223 -10.548 -2.575 1.00 0.00 N ATOM 956 CA TYR A 127 1.005 -10.214 -1.173 1.00 0.00 C ATOM 957 C TYR A 127 1.769 -8.951 -0.789 1.00 0.00 C ATOM 958 O TYR A 127 1.181 -7.968 -0.336 1.00 0.00 O ATOM 959 CB TYR A 127 1.435 -11.377 -0.277 1.00 0.00 C ATOM 960 CG TYR A 127 1.285 -11.091 1.200 1.00 0.00 C ATOM 961 CD1 TYR A 127 2.323 -10.520 1.926 1.00 0.00 C ATOM 962 CD2 TYR A 127 0.106 -11.392 1.870 1.00 0.00 C ATOM 963 CE1 TYR A 127 2.191 -10.257 3.276 1.00 0.00 C ATOM 964 CE2 TYR A 127 -0.036 -11.132 3.219 1.00 0.00 C ATOM 965 CZ TYR A 127 1.010 -10.564 3.918 1.00 0.00 C ATOM 966 OH TYR A 127 0.873 -10.305 5.262 1.00 0.00 O ATOM 0 H TYR A 127 1.536 -11.505 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 127 -0.060 -10.030 -1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 127 0.844 -12.257 -0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.476 -11.621 -0.487 1.00 0.00 H new ATOM 0 HD1 TYR A 127 3.249 -10.277 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -0.714 -11.837 1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 127 3.008 -9.813 3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -0.960 -11.372 3.724 1.00 0.00 H new ATOM 0 HH TYR A 127 -0.020 -10.580 5.559 1.00 0.00 H new ATOM 976 N CYS A 128 3.084 -8.985 -0.973 1.00 0.00 N ATOM 977 CA CYS A 128 3.932 -7.844 -0.647 1.00 0.00 C ATOM 978 C CYS A 128 3.398 -6.568 -1.290 1.00 0.00 C ATOM 979 O CYS A 128 3.266 -5.536 -0.630 1.00 0.00 O ATOM 980 CB CYS A 128 5.368 -8.100 -1.110 1.00 0.00 C ATOM 981 SG CYS A 128 6.269 -9.318 -0.100 1.00 0.00 S ATOM 0 H CYS A 128 3.586 -9.790 -1.346 1.00 0.00 H new ATOM 0 HA CYS A 128 3.924 -7.715 0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.349 -8.444 -2.144 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.916 -7.158 -1.098 1.00 0.00 H new ATOM 0 HG CYS A 128 7.001 -10.065 -0.872 1.00 0.00 H new ATOM 986 N ARG A 129 3.093 -6.645 -2.581 1.00 0.00 N ATOM 987 CA ARG A 129 2.574 -5.497 -3.314 1.00 0.00 C ATOM 988 C ARG A 129 1.358 -4.905 -2.607 1.00 0.00 C ATOM 989 O ARG A 129 1.322 -3.712 -2.304 1.00 0.00 O ATOM 990 CB ARG A 129 2.200 -5.902 -4.741 1.00 0.00 C ATOM 991 CG ARG A 129 1.559 -4.782 -5.544 1.00 0.00 C ATOM 992 CD ARG A 129 2.606 -3.916 -6.228 1.00 0.00 C ATOM 993 NE ARG A 129 3.008 -4.463 -7.521 1.00 0.00 N ATOM 994 CZ ARG A 129 2.282 -4.342 -8.627 1.00 0.00 C ATOM 995 NH1 ARG A 129 1.125 -3.697 -8.598 1.00 0.00 N ATOM 996 NH2 ARG A 129 2.715 -4.867 -9.767 1.00 0.00 N ATOM 0 H ARG A 129 3.196 -7.491 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 129 3.356 -4.739 -3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.096 -6.242 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.514 -6.748 -4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.891 -5.207 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.948 -4.164 -4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.210 -2.910 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.481 -3.828 -5.584 1.00 0.00 H new ATOM 0 HE ARG A 129 3.894 -4.965 -7.578 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.789 -3.291 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.570 -3.606 -9.449 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.606 -5.364 -9.794 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.157 -4.774 -10.616 1.00 0.00 H new ATOM 1010 N PHE A 130 0.363 -5.747 -2.348 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.856 -5.307 -1.678 1.00 0.00 C ATOM 1012 C PHE A 130 -0.548 -4.779 -0.280 1.00 0.00 C ATOM 1013 O PHE A 130 -0.844 -3.628 0.038 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.859 -6.459 -1.591 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.161 -6.072 -0.950 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -4.027 -5.196 -1.584 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.519 -6.585 0.287 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.227 -4.839 -0.997 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.717 -6.231 0.878 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.571 -5.356 0.236 1.00 0.00 C ATOM 0 H PHE A 130 0.376 -6.737 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.292 -4.498 -2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -2.055 -6.836 -2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.413 -7.277 -1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.762 -4.787 -2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -2.855 -7.269 0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.894 -4.157 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -4.985 -6.638 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.506 -5.077 0.698 1.00 0.00 H new ATOM 1030 N GLN A 131 0.048 -5.630 0.550 1.00 0.00 N ATOM 1031 CA GLN A 131 0.395 -5.249 1.914 1.00 0.00 C ATOM 1032 C GLN A 131 0.962 -3.834 1.957 1.00 0.00 C ATOM 1033 O GLN A 131 0.558 -3.017 2.785 1.00 0.00 O ATOM 1034 CB GLN A 131 1.408 -6.235 2.499 1.00 0.00 C ATOM 1035 CG GLN A 131 0.775 -7.501 3.054 1.00 0.00 C ATOM 1036 CD GLN A 131 -0.476 -7.220 3.864 1.00 0.00 C ATOM 1037 OE1 GLN A 131 -1.586 -7.215 3.331 1.00 0.00 O ATOM 1038 NE2 GLN A 131 -0.302 -6.986 5.159 1.00 0.00 N ATOM 0 H GLN A 131 0.300 -6.587 0.302 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.515 -5.274 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.126 -6.507 1.725 1.00 0.00 H new ATOM 0 HB3 GLN A 131 1.967 -5.740 3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.527 -8.170 2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.500 -8.021 3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 131 0.637 -7.000 5.558 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -1.107 -6.792 5.755 1.00 0.00 H new ATOM 1047 N LYS A 132 1.900 -3.550 1.060 1.00 0.00 N ATOM 1048 CA LYS A 132 2.523 -2.234 0.994 1.00 0.00 C ATOM 1049 C LYS A 132 1.467 -1.133 0.971 1.00 0.00 C ATOM 1050 O LYS A 132 1.487 -0.223 1.800 1.00 0.00 O ATOM 1051 CB LYS A 132 3.412 -2.129 -0.247 1.00 0.00 C ATOM 1052 CG LYS A 132 4.054 -0.764 -0.422 1.00 0.00 C ATOM 1053 CD LYS A 132 5.187 -0.806 -1.434 1.00 0.00 C ATOM 1054 CE LYS A 132 6.205 0.295 -1.178 1.00 0.00 C ATOM 1055 NZ LYS A 132 6.924 0.097 0.111 1.00 0.00 N ATOM 0 H LYS A 132 2.246 -4.215 0.368 1.00 0.00 H new ATOM 0 HA LYS A 132 3.138 -2.105 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.195 -2.885 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.816 -2.357 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.301 -0.046 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.435 -0.414 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 132 5.681 -1.777 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 132 4.781 -0.701 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.926 0.321 -1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 132 5.700 1.261 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 7.843 0.583 0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 6.356 0.489 0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.076 -0.919 0.271 1.00 0.00 H new ATOM 1069 N CYS A 133 0.546 -1.223 0.018 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.519 -0.235 -0.112 1.00 0.00 C ATOM 1071 C CYS A 133 -1.133 0.085 1.247 1.00 0.00 C ATOM 1072 O CYS A 133 -1.295 1.251 1.608 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.600 -0.742 -1.067 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.082 -0.811 -2.798 1.00 0.00 S ATOM 0 H CYS A 133 0.515 -1.970 -0.676 1.00 0.00 H new ATOM 0 HA CYS A 133 -0.085 0.679 -0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.910 -1.738 -0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.474 -0.095 -0.986 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.701 0.112 -3.473 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.475 -0.958 1.996 1.00 0.00 N ATOM 1081 CA LEU A 134 -2.073 -0.789 3.315 1.00 0.00 C ATOM 1082 C LEU A 134 -1.201 0.097 4.199 1.00 0.00 C ATOM 1083 O LEU A 134 -1.687 1.045 4.816 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.278 -2.150 3.982 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.104 -3.166 3.193 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -3.112 -4.512 3.901 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.524 -2.659 2.992 1.00 0.00 C ATOM 0 H LEU A 134 -1.348 -1.929 1.712 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.041 -0.304 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.299 -2.585 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.760 -1.991 4.947 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.644 -3.296 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.705 -5.223 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -2.091 -4.881 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.547 -4.398 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.097 -3.395 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.994 -2.499 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.500 -1.719 2.441 1.00 0.00 H new ATOM 1099 N ALA A 135 0.089 -0.217 4.254 1.00 0.00 N ATOM 1100 CA ALA A 135 1.030 0.553 5.058 1.00 0.00 C ATOM 1101 C ALA A 135 1.132 1.990 4.558 1.00 0.00 C ATOM 1102 O ALA A 135 1.286 2.923 5.347 1.00 0.00 O ATOM 1103 CB ALA A 135 2.399 -0.110 5.048 1.00 0.00 C ATOM 0 H ALA A 135 0.507 -1.000 3.751 1.00 0.00 H new ATOM 0 HA ALA A 135 0.658 0.578 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.091 0.476 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.319 -1.116 5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.769 -0.166 4.024 1.00 0.00 H new ATOM 1109 N LEU A 136 1.046 2.161 3.243 1.00 0.00 N ATOM 1110 CA LEU A 136 1.130 3.486 2.637 1.00 0.00 C ATOM 1111 C LEU A 136 -0.007 4.379 3.122 1.00 0.00 C ATOM 1112 O LEU A 136 0.119 5.603 3.148 1.00 0.00 O ATOM 1113 CB LEU A 136 1.091 3.373 1.112 1.00 0.00 C ATOM 1114 CG LEU A 136 2.307 2.719 0.456 1.00 0.00 C ATOM 1115 CD1 LEU A 136 2.104 2.602 -1.047 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.570 3.510 0.765 1.00 0.00 C ATOM 0 H LEU A 136 0.918 1.400 2.576 1.00 0.00 H new ATOM 0 HA LEU A 136 2.075 3.938 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.203 2.806 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.973 4.374 0.696 1.00 0.00 H new ATOM 0 HG LEU A 136 2.421 1.716 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.980 2.134 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.223 1.993 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.964 3.595 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.425 3.030 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.466 4.526 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.725 3.542 1.844 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.118 3.759 3.507 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.261 4.513 3.988 1.00 0.00 C ATOM 1130 C GLY A 137 -3.406 4.526 2.996 1.00 0.00 C ATOM 1131 O GLY A 137 -4.181 5.481 2.945 1.00 0.00 O ATOM 0 H GLY A 137 -1.247 2.747 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.605 4.084 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.954 5.538 4.197 1.00 0.00 H new ATOM 1135 N MET A 138 -3.513 3.464 2.204 1.00 0.00 N ATOM 1136 CA MET A 138 -4.573 3.357 1.208 1.00 0.00 C ATOM 1137 C MET A 138 -5.909 3.032 1.868 1.00 0.00 C ATOM 1138 O MET A 138 -6.143 1.900 2.292 1.00 0.00 O ATOM 1139 CB MET A 138 -4.226 2.283 0.176 1.00 0.00 C ATOM 1140 CG MET A 138 -3.278 2.768 -0.910 1.00 0.00 C ATOM 1141 SD MET A 138 -3.479 1.867 -2.459 1.00 0.00 S ATOM 1142 CE MET A 138 -3.219 3.180 -3.650 1.00 0.00 C ATOM 0 H MET A 138 -2.879 2.666 2.233 1.00 0.00 H new ATOM 0 HA MET A 138 -4.662 4.319 0.704 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.776 1.432 0.687 1.00 0.00 H new ATOM 0 HB3 MET A 138 -5.145 1.926 -0.288 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.447 3.830 -1.087 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.250 2.663 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 138 -3.723 2.930 -4.583 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.624 4.113 -3.258 1.00 0.00 H new ATOM 0 HE3 MET A 138 -2.151 3.298 -3.835 1.00 0.00 H new ATOM 1152 N SER A 139 -6.782 4.031 1.952 1.00 0.00 N ATOM 1153 CA SER A 139 -8.093 3.851 2.564 1.00 0.00 C ATOM 1154 C SER A 139 -8.975 2.951 1.704 1.00 0.00 C ATOM 1155 O SER A 139 -9.322 3.298 0.574 1.00 0.00 O ATOM 1156 CB SER A 139 -8.773 5.205 2.770 1.00 0.00 C ATOM 1157 OG SER A 139 -8.851 5.928 1.553 1.00 0.00 O ATOM 0 H SER A 139 -6.605 4.973 1.604 1.00 0.00 H new ATOM 0 HA SER A 139 -7.952 3.373 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.775 5.055 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.218 5.786 3.507 1.00 0.00 H new ATOM 0 HG SER A 139 -9.063 5.313 0.820 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.336 1.793 2.247 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.179 0.842 1.530 1.00 0.00 C ATOM 1165 C HIS A 140 -11.607 1.365 1.410 1.00 0.00 C ATOM 1166 O HIS A 140 -12.206 1.321 0.337 1.00 0.00 O ATOM 1167 CB HIS A 140 -10.177 -0.511 2.242 1.00 0.00 C ATOM 1168 CG HIS A 140 -10.976 -0.522 3.509 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -10.623 0.202 4.628 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -12.119 -1.174 3.829 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -11.513 -0.005 5.583 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -12.431 -0.836 5.123 1.00 0.00 N ATOM 0 H HIS A 140 -9.058 1.490 3.181 1.00 0.00 H new ATOM 0 HA HIS A 140 -9.771 0.717 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -10.573 -1.269 1.566 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -9.148 -0.792 2.468 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -12.680 -1.836 3.187 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -11.493 0.431 6.571 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -13.241 -1.172 5.644 1.00 0.00 H new