USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=22 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 127 TYR OH : rot 180:sc= 0.0263 USER MOD Set 1.2: A 131 GLN : amide:sc= -0.233 K(o=-0.21,f=-1.1) USER MOD Set 2.1: A 111 CYS SG : rot -147:sc= -1.01 USER MOD Set 2.2: A 115 CYS SG : rot 127:sc= 0.435 USER MOD Set 2.3: A 125 CYS SG : rot -167:sc= 0.73 USER MOD Set 2.4: A 128 CYS SG : rot -50:sc= -0.566 USER MOD Set 3.1: A 74 CYS SG : rot 153:sc= 0.445 USER MOD Set 3.2: A 77 CYS SG : rot -50:sc= -0.393 USER MOD Set 3.3: A 91 CYS SG : rot -131:sc= 1.01 USER MOD Set 3.4: A 94 CYS SG : rot 88:sc= -1.91 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 136:sc= 0.17 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 89 HIS : no HD1:sc= -0.776 K(o=-0.78,f=-2.4) USER MOD Single : A 95 LYS NZ :NH3+ -157:sc= -0.734 (180deg=-1.29) USER MOD Single : A 101 THR OG1 : rot 69:sc= 0.308 USER MOD Single : A 104 MET CE :methyl -120:sc= -0.14 (180deg=-0.65) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -57:sc= 0.166 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.14) USER MOD Single : A 119 LYS NZ :NH3+ 157:sc= -0.08 (180deg=-0.448) USER MOD Single : A 120 LYS NZ :NH3+ 167:sc=-0.00884 (180deg=-0.139) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 ASN : amide:sc= -0.779 X(o=-0.78,f=-0.76) USER MOD Single : A 124 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0423) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 CYS SG : rot -104:sc= -0.579 USER MOD Single : A 138 MET CE :methyl -166:sc= 0 (180deg=-0.237) USER MOD Single : A 139 SER OG : rot 25:sc= 0.513 USER MOD Single : A 140 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 5.680 11.243 -7.654 1.00 0.00 N ATOM 84 CA GLU A 73 6.014 9.891 -8.087 1.00 0.00 C ATOM 85 C GLU A 73 5.251 8.853 -7.270 1.00 0.00 C ATOM 86 O GLU A 73 4.893 9.095 -6.116 1.00 0.00 O ATOM 87 CB GLU A 73 7.520 9.649 -7.961 1.00 0.00 C ATOM 88 CG GLU A 73 7.979 9.401 -6.534 1.00 0.00 C ATOM 89 CD GLU A 73 9.485 9.490 -6.382 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.103 10.321 -7.080 1.00 0.00 O ATOM 91 OE2 GLU A 73 10.045 8.730 -5.565 1.00 0.00 O ATOM 0 HA GLU A 73 5.723 9.790 -9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.795 8.792 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.053 10.512 -8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.507 10.128 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.643 8.415 -6.214 1.00 0.00 H new ATOM 98 N CYS A 74 5.003 7.697 -7.876 1.00 0.00 N ATOM 99 CA CYS A 74 4.282 6.621 -7.206 1.00 0.00 C ATOM 100 C CYS A 74 5.006 6.189 -5.935 1.00 0.00 C ATOM 101 O CYS A 74 6.229 6.293 -5.839 1.00 0.00 O ATOM 102 CB CYS A 74 4.120 5.425 -8.146 1.00 0.00 C ATOM 103 SG CYS A 74 3.133 4.061 -7.451 1.00 0.00 S ATOM 0 H CYS A 74 5.291 7.481 -8.830 1.00 0.00 H new ATOM 0 HA CYS A 74 3.296 6.995 -6.931 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.652 5.764 -9.070 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.108 5.047 -8.409 1.00 0.00 H new ATOM 0 HG CYS A 74 2.564 3.402 -8.416 1.00 0.00 H new ATOM 108 N ARG A 75 4.243 5.704 -4.961 1.00 0.00 N ATOM 109 CA ARG A 75 4.811 5.256 -3.695 1.00 0.00 C ATOM 110 C ARG A 75 4.938 3.736 -3.663 1.00 0.00 C ATOM 111 O ARG A 75 5.822 3.190 -3.003 1.00 0.00 O ATOM 112 CB ARG A 75 3.946 5.731 -2.527 1.00 0.00 C ATOM 113 CG ARG A 75 4.032 7.228 -2.274 1.00 0.00 C ATOM 114 CD ARG A 75 5.343 7.605 -1.603 1.00 0.00 C ATOM 115 NE ARG A 75 5.430 7.084 -0.241 1.00 0.00 N ATOM 116 CZ ARG A 75 6.526 7.160 0.506 1.00 0.00 C ATOM 117 NH1 ARG A 75 7.622 7.732 0.025 1.00 0.00 N ATOM 118 NH2 ARG A 75 6.528 6.663 1.736 1.00 0.00 N ATOM 0 H ARG A 75 3.229 5.611 -5.024 1.00 0.00 H new ATOM 0 HA ARG A 75 5.807 5.688 -3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.908 5.463 -2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.247 5.201 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.938 7.764 -3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.198 7.541 -1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.176 7.220 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.441 8.690 -1.583 1.00 0.00 H new ATOM 0 HE ARG A 75 4.604 6.638 0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.625 8.115 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.462 7.789 0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.687 6.222 2.109 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.370 6.722 2.309 1.00 0.00 H new ATOM 132 N VAL A 76 4.048 3.058 -4.381 1.00 0.00 N ATOM 133 CA VAL A 76 4.060 1.601 -4.435 1.00 0.00 C ATOM 134 C VAL A 76 5.248 1.091 -5.243 1.00 0.00 C ATOM 135 O VAL A 76 6.121 0.400 -4.716 1.00 0.00 O ATOM 136 CB VAL A 76 2.760 1.051 -5.053 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.732 -0.467 -4.973 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.547 1.652 -4.360 1.00 0.00 C ATOM 0 H VAL A 76 3.310 3.494 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 76 4.144 1.247 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 76 2.728 1.336 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.807 -0.838 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.583 -0.876 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.786 -0.777 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.637 1.253 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.571 1.398 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.563 2.736 -4.474 1.00 0.00 H new ATOM 148 N CYS A 77 5.277 1.438 -6.526 1.00 0.00 N ATOM 149 CA CYS A 77 6.359 1.016 -7.408 1.00 0.00 C ATOM 150 C CYS A 77 7.402 2.119 -7.556 1.00 0.00 C ATOM 151 O CYS A 77 8.604 1.855 -7.561 1.00 0.00 O ATOM 152 CB CYS A 77 5.804 0.636 -8.782 1.00 0.00 C ATOM 153 SG CYS A 77 5.314 2.060 -9.806 1.00 0.00 S ATOM 0 H CYS A 77 4.564 2.010 -6.978 1.00 0.00 H new ATOM 0 HA CYS A 77 6.839 0.145 -6.963 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.556 0.058 -9.319 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.940 -0.014 -8.646 1.00 0.00 H new ATOM 0 HG CYS A 77 4.546 2.848 -9.114 1.00 0.00 H new ATOM 158 N GLY A 78 6.933 3.358 -7.676 1.00 0.00 N ATOM 159 CA GLY A 78 7.838 4.483 -7.821 1.00 0.00 C ATOM 160 C GLY A 78 7.583 5.271 -9.091 1.00 0.00 C ATOM 161 O GLY A 78 7.602 6.502 -9.079 1.00 0.00 O ATOM 0 H GLY A 78 5.943 3.602 -7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.733 5.143 -6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.866 4.121 -7.822 1.00 0.00 H new ATOM 165 N ASP A 79 7.344 4.562 -10.188 1.00 0.00 N ATOM 166 CA ASP A 79 7.085 5.203 -11.472 1.00 0.00 C ATOM 167 C ASP A 79 6.269 6.479 -11.287 1.00 0.00 C ATOM 168 O ASP A 79 5.500 6.604 -10.334 1.00 0.00 O ATOM 169 CB ASP A 79 6.347 4.242 -12.406 1.00 0.00 C ATOM 170 CG ASP A 79 6.421 4.675 -13.857 1.00 0.00 C ATOM 171 OD1 ASP A 79 5.645 5.572 -14.249 1.00 0.00 O ATOM 172 OD2 ASP A 79 7.255 4.118 -14.601 1.00 0.00 O ATOM 0 H ASP A 79 7.324 3.543 -10.214 1.00 0.00 H new ATOM 0 HA ASP A 79 8.044 5.467 -11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.773 3.244 -12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.302 4.175 -12.102 1.00 0.00 H new ATOM 177 N LYS A 80 6.442 7.424 -12.205 1.00 0.00 N ATOM 178 CA LYS A 80 5.723 8.691 -12.144 1.00 0.00 C ATOM 179 C LYS A 80 4.325 8.496 -11.566 1.00 0.00 C ATOM 180 O LYS A 80 3.661 7.498 -11.845 1.00 0.00 O ATOM 181 CB LYS A 80 5.627 9.313 -13.539 1.00 0.00 C ATOM 182 CG LYS A 80 4.664 8.589 -14.463 1.00 0.00 C ATOM 183 CD LYS A 80 5.077 8.727 -15.919 1.00 0.00 C ATOM 184 CE LYS A 80 4.652 10.069 -16.495 1.00 0.00 C ATOM 185 NZ LYS A 80 4.996 10.187 -17.939 1.00 0.00 N ATOM 0 H LYS A 80 7.074 7.336 -13.001 1.00 0.00 H new ATOM 0 HA LYS A 80 6.277 9.364 -11.489 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.313 10.352 -13.443 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.618 9.320 -13.994 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.624 7.534 -14.194 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.659 8.990 -14.329 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.158 8.620 -16.003 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.631 7.922 -16.503 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.577 10.195 -16.366 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.136 10.872 -15.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.690 11.115 -18.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.025 10.092 -18.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.514 9.436 -18.473 1.00 0.00 H new ATOM 199 N ALA A 81 3.884 9.456 -10.760 1.00 0.00 N ATOM 200 CA ALA A 81 2.563 9.391 -10.146 1.00 0.00 C ATOM 201 C ALA A 81 1.521 10.092 -11.009 1.00 0.00 C ATOM 202 O ALA A 81 1.650 11.278 -11.314 1.00 0.00 O ATOM 203 CB ALA A 81 2.598 10.004 -8.754 1.00 0.00 C ATOM 0 H ALA A 81 4.422 10.288 -10.517 1.00 0.00 H new ATOM 0 HA ALA A 81 2.280 8.342 -10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.605 9.949 -8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.307 9.456 -8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.907 11.047 -8.823 1.00 0.00 H new ATOM 209 N SER A 82 0.488 9.352 -11.401 1.00 0.00 N ATOM 210 CA SER A 82 -0.574 9.903 -12.234 1.00 0.00 C ATOM 211 C SER A 82 -1.474 10.832 -11.424 1.00 0.00 C ATOM 212 O SER A 82 -1.841 11.913 -11.881 1.00 0.00 O ATOM 213 CB SER A 82 -1.407 8.775 -12.847 1.00 0.00 C ATOM 214 OG SER A 82 -2.062 9.208 -14.027 1.00 0.00 O ATOM 0 H SER A 82 0.365 8.370 -11.155 1.00 0.00 H new ATOM 0 HA SER A 82 -0.111 10.481 -13.034 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.763 7.926 -13.076 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.145 8.429 -12.123 1.00 0.00 H new ATOM 0 HG SER A 82 -1.981 8.518 -14.718 1.00 0.00 H new ATOM 220 N GLY A 83 -1.825 10.400 -10.216 1.00 0.00 N ATOM 221 CA GLY A 83 -2.678 11.203 -9.360 1.00 0.00 C ATOM 222 C GLY A 83 -2.552 10.826 -7.897 1.00 0.00 C ATOM 223 O GLY A 83 -1.617 10.127 -7.507 1.00 0.00 O ATOM 0 H GLY A 83 -1.534 9.508 -9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.424 12.256 -9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.715 11.086 -9.674 1.00 0.00 H new ATOM 227 N PHE A 84 -3.496 11.291 -7.085 1.00 0.00 N ATOM 228 CA PHE A 84 -3.485 11.001 -5.656 1.00 0.00 C ATOM 229 C PHE A 84 -4.719 10.198 -5.254 1.00 0.00 C ATOM 230 O PHE A 84 -5.757 10.765 -4.911 1.00 0.00 O ATOM 231 CB PHE A 84 -3.423 12.300 -4.850 1.00 0.00 C ATOM 232 CG PHE A 84 -2.869 12.122 -3.466 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.633 11.527 -3.271 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.585 12.548 -2.359 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.122 11.361 -1.998 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.079 12.385 -1.083 1.00 0.00 C ATOM 237 CZ PHE A 84 -1.845 11.791 -0.903 1.00 0.00 C ATOM 0 H PHE A 84 -4.278 11.870 -7.392 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.599 10.405 -5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.809 13.023 -5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.425 12.723 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.063 11.189 -4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.550 13.013 -2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.158 10.895 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.647 12.721 -0.228 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.446 11.663 0.093 1.00 0.00 H new ATOM 247 N HIS A 85 -4.598 8.875 -5.301 1.00 0.00 N ATOM 248 CA HIS A 85 -5.703 7.994 -4.942 1.00 0.00 C ATOM 249 C HIS A 85 -5.443 7.314 -3.601 1.00 0.00 C ATOM 250 O HIS A 85 -4.304 6.977 -3.276 1.00 0.00 O ATOM 251 CB HIS A 85 -5.915 6.939 -6.029 1.00 0.00 C ATOM 252 CG HIS A 85 -5.943 7.505 -7.416 1.00 0.00 C ATOM 253 ND1 HIS A 85 -7.068 8.071 -7.975 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.973 7.591 -8.356 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.790 8.480 -9.200 1.00 0.00 C ATOM 256 NE2 HIS A 85 -5.525 8.201 -9.456 1.00 0.00 N ATOM 0 H HIS A 85 -3.746 8.390 -5.584 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.604 8.600 -4.853 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.119 6.197 -5.964 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.853 6.417 -5.839 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.955 7.245 -8.259 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.480 8.961 -9.877 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.037 8.405 -10.328 1.00 0.00 H new ATOM 264 N TYR A 86 -6.505 7.116 -2.828 1.00 0.00 N ATOM 265 CA TYR A 86 -6.390 6.480 -1.521 1.00 0.00 C ATOM 266 C TYR A 86 -5.494 7.295 -0.595 1.00 0.00 C ATOM 267 O TYR A 86 -4.835 6.750 0.289 1.00 0.00 O ATOM 268 CB TYR A 86 -5.835 5.062 -1.668 1.00 0.00 C ATOM 269 CG TYR A 86 -6.525 4.250 -2.741 1.00 0.00 C ATOM 270 CD1 TYR A 86 -6.169 4.384 -4.077 1.00 0.00 C ATOM 271 CD2 TYR A 86 -7.531 3.348 -2.418 1.00 0.00 C ATOM 272 CE1 TYR A 86 -6.797 3.644 -5.061 1.00 0.00 C ATOM 273 CE2 TYR A 86 -8.163 2.603 -3.395 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.793 2.755 -4.715 1.00 0.00 C ATOM 275 OH TYR A 86 -8.420 2.016 -5.692 1.00 0.00 O ATOM 0 H TYR A 86 -7.455 7.387 -3.084 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.386 6.430 -1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.771 5.119 -1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.930 4.543 -0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.388 5.078 -4.351 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -7.824 3.227 -1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.509 3.761 -6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.943 1.905 -3.127 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.096 1.437 -5.281 1.00 0.00 H new ATOM 285 N GLY A 87 -5.476 8.609 -0.804 1.00 0.00 N ATOM 286 CA GLY A 87 -4.659 9.480 0.020 1.00 0.00 C ATOM 287 C GLY A 87 -3.185 9.134 -0.055 1.00 0.00 C ATOM 288 O GLY A 87 -2.407 9.506 0.823 1.00 0.00 O ATOM 0 H GLY A 87 -6.013 9.085 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.803 10.513 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.992 9.413 1.056 1.00 0.00 H new ATOM 292 N VAL A 88 -2.800 8.418 -1.107 1.00 0.00 N ATOM 293 CA VAL A 88 -1.409 8.021 -1.294 1.00 0.00 C ATOM 294 C VAL A 88 -0.996 8.140 -2.756 1.00 0.00 C ATOM 295 O VAL A 88 -1.680 7.639 -3.649 1.00 0.00 O ATOM 296 CB VAL A 88 -1.170 6.575 -0.820 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.869 5.588 -1.742 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.320 6.281 -0.742 1.00 0.00 C ATOM 0 H VAL A 88 -3.432 8.101 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.802 8.698 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.593 6.463 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.689 4.572 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.941 5.787 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.479 5.697 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.471 5.255 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.768 6.410 -1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.790 6.967 -0.037 1.00 0.00 H new ATOM 308 N HIS A 89 0.130 8.806 -2.995 1.00 0.00 N ATOM 309 CA HIS A 89 0.636 8.990 -4.350 1.00 0.00 C ATOM 310 C HIS A 89 0.869 7.645 -5.031 1.00 0.00 C ATOM 311 O HIS A 89 1.860 6.967 -4.764 1.00 0.00 O ATOM 312 CB HIS A 89 1.936 9.795 -4.327 1.00 0.00 C ATOM 313 CG HIS A 89 1.725 11.277 -4.365 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.581 12.046 -3.229 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.634 12.132 -5.410 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.410 13.309 -3.575 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.438 13.388 -4.893 1.00 0.00 N ATOM 0 H HIS A 89 0.709 9.227 -2.268 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.113 9.540 -4.919 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.496 9.539 -3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.550 9.502 -5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.703 11.874 -6.456 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.271 14.137 -2.895 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.331 14.244 -5.438 1.00 0.00 H new ATOM 325 N ALA A 90 -0.052 7.264 -5.910 1.00 0.00 N ATOM 326 CA ALA A 90 0.053 6.001 -6.629 1.00 0.00 C ATOM 327 C ALA A 90 -0.174 6.199 -8.124 1.00 0.00 C ATOM 328 O ALA A 90 -0.864 7.131 -8.539 1.00 0.00 O ATOM 329 CB ALA A 90 -0.940 4.992 -6.072 1.00 0.00 C ATOM 0 H ALA A 90 -0.880 7.813 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 90 1.063 5.616 -6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.850 4.053 -6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.729 4.819 -5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.953 5.380 -6.181 1.00 0.00 H new ATOM 335 N CYS A 91 0.410 5.318 -8.929 1.00 0.00 N ATOM 336 CA CYS A 91 0.273 5.397 -10.378 1.00 0.00 C ATOM 337 C CYS A 91 -0.904 4.553 -10.859 1.00 0.00 C ATOM 338 O CYS A 91 -1.514 3.820 -10.081 1.00 0.00 O ATOM 339 CB CYS A 91 1.561 4.931 -11.059 1.00 0.00 C ATOM 340 SG CYS A 91 1.851 3.135 -10.954 1.00 0.00 S ATOM 0 H CYS A 91 0.983 4.540 -8.602 1.00 0.00 H new ATOM 0 HA CYS A 91 0.085 6.437 -10.645 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.530 5.222 -12.109 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.406 5.452 -10.609 1.00 0.00 H new ATOM 0 HG CYS A 91 3.068 2.915 -10.553 1.00 0.00 H new ATOM 345 N GLU A 92 -1.216 4.662 -12.147 1.00 0.00 N ATOM 346 CA GLU A 92 -2.320 3.909 -12.731 1.00 0.00 C ATOM 347 C GLU A 92 -2.081 2.407 -12.606 1.00 0.00 C ATOM 348 O GLU A 92 -2.932 1.670 -12.111 1.00 0.00 O ATOM 349 CB GLU A 92 -2.502 4.288 -14.202 1.00 0.00 C ATOM 350 CG GLU A 92 -2.721 5.774 -14.426 1.00 0.00 C ATOM 351 CD GLU A 92 -2.621 6.166 -15.887 1.00 0.00 C ATOM 352 OE1 GLU A 92 -3.433 5.663 -16.692 1.00 0.00 O ATOM 353 OE2 GLU A 92 -1.731 6.973 -16.226 1.00 0.00 O ATOM 0 H GLU A 92 -0.720 5.264 -12.805 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.228 4.161 -12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.622 3.971 -14.761 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.352 3.739 -14.607 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.703 6.054 -14.045 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.985 6.336 -13.852 1.00 0.00 H new ATOM 360 N GLY A 93 -0.914 1.960 -13.061 1.00 0.00 N ATOM 361 CA GLY A 93 -0.582 0.549 -12.993 1.00 0.00 C ATOM 362 C GLY A 93 -0.897 -0.055 -11.639 1.00 0.00 C ATOM 363 O GLY A 93 -1.815 -0.866 -11.510 1.00 0.00 O ATOM 0 H GLY A 93 -0.193 2.550 -13.475 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.133 0.011 -13.765 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.478 0.417 -13.209 1.00 0.00 H new ATOM 367 N CYS A 94 -0.132 0.337 -10.625 1.00 0.00 N ATOM 368 CA CYS A 94 -0.332 -0.173 -9.274 1.00 0.00 C ATOM 369 C CYS A 94 -1.806 -0.119 -8.885 1.00 0.00 C ATOM 370 O CYS A 94 -2.398 -1.131 -8.508 1.00 0.00 O ATOM 371 CB CYS A 94 0.501 0.633 -8.275 1.00 0.00 C ATOM 372 SG CYS A 94 2.301 0.468 -8.503 1.00 0.00 S ATOM 0 H CYS A 94 0.632 1.007 -10.714 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.007 -1.213 -9.253 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.230 1.686 -8.358 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.243 0.316 -7.264 1.00 0.00 H new ATOM 0 HG CYS A 94 2.714 1.358 -9.356 1.00 0.00 H new ATOM 377 N LYS A 95 -2.394 1.069 -8.979 1.00 0.00 N ATOM 378 CA LYS A 95 -3.800 1.256 -8.639 1.00 0.00 C ATOM 379 C LYS A 95 -4.628 0.048 -9.063 1.00 0.00 C ATOM 380 O LYS A 95 -5.266 -0.601 -8.235 1.00 0.00 O ATOM 381 CB LYS A 95 -4.343 2.521 -9.308 1.00 0.00 C ATOM 382 CG LYS A 95 -5.740 2.900 -8.848 1.00 0.00 C ATOM 383 CD LYS A 95 -6.153 4.262 -9.381 1.00 0.00 C ATOM 384 CE LYS A 95 -6.858 4.144 -10.724 1.00 0.00 C ATOM 385 NZ LYS A 95 -5.895 3.913 -11.837 1.00 0.00 N ATOM 0 H LYS A 95 -1.919 1.917 -9.288 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.875 1.363 -7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.665 3.350 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.352 2.375 -10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.452 2.146 -9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.775 2.909 -7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.813 4.750 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.272 4.896 -9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.574 3.323 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.426 5.054 -10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.322 4.218 -12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.027 4.459 -11.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.663 2.901 -11.891 1.00 0.00 H new ATOM 399 N GLY A 96 -4.613 -0.250 -10.359 1.00 0.00 N ATOM 400 CA GLY A 96 -5.365 -1.380 -10.870 1.00 0.00 C ATOM 401 C GLY A 96 -5.219 -2.614 -10.001 1.00 0.00 C ATOM 402 O GLY A 96 -6.202 -3.293 -9.703 1.00 0.00 O ATOM 0 H GLY A 96 -4.093 0.272 -11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.419 -1.110 -10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.028 -1.609 -11.881 1.00 0.00 H new ATOM 406 N PHE A 97 -3.988 -2.907 -9.595 1.00 0.00 N ATOM 407 CA PHE A 97 -3.716 -4.069 -8.757 1.00 0.00 C ATOM 408 C PHE A 97 -4.451 -3.964 -7.425 1.00 0.00 C ATOM 409 O PHE A 97 -5.356 -4.748 -7.138 1.00 0.00 O ATOM 410 CB PHE A 97 -2.212 -4.207 -8.513 1.00 0.00 C ATOM 411 CG PHE A 97 -1.866 -5.224 -7.463 1.00 0.00 C ATOM 412 CD1 PHE A 97 -1.783 -6.570 -7.784 1.00 0.00 C ATOM 413 CD2 PHE A 97 -1.622 -4.835 -6.156 1.00 0.00 C ATOM 414 CE1 PHE A 97 -1.466 -7.508 -6.820 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.304 -5.768 -5.188 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.225 -7.106 -5.520 1.00 0.00 C ATOM 0 H PHE A 97 -3.163 -2.356 -9.833 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.075 -4.955 -9.281 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.724 -4.482 -9.448 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.810 -3.238 -8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.968 -6.889 -8.799 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.681 -3.790 -5.891 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.407 -8.554 -7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.117 -5.451 -4.173 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.975 -7.837 -4.765 1.00 0.00 H new ATOM 426 N PHE A 98 -4.055 -2.988 -6.613 1.00 0.00 N ATOM 427 CA PHE A 98 -4.675 -2.780 -5.310 1.00 0.00 C ATOM 428 C PHE A 98 -6.197 -2.780 -5.424 1.00 0.00 C ATOM 429 O PHE A 98 -6.874 -3.621 -4.833 1.00 0.00 O ATOM 430 CB PHE A 98 -4.199 -1.460 -4.700 1.00 0.00 C ATOM 431 CG PHE A 98 -4.772 -1.186 -3.339 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.253 -1.809 -2.216 1.00 0.00 C ATOM 433 CD2 PHE A 98 -5.831 -0.306 -3.184 1.00 0.00 C ATOM 434 CE1 PHE A 98 -4.779 -1.559 -0.962 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.361 -0.052 -1.933 1.00 0.00 C ATOM 436 CZ PHE A 98 -5.835 -0.680 -0.821 1.00 0.00 C ATOM 0 H PHE A 98 -3.308 -2.330 -6.835 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.377 -3.602 -4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.111 -1.472 -4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.467 -0.642 -5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.428 -2.498 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.247 0.187 -4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.365 -2.050 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.186 0.637 -1.825 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.249 -0.484 0.157 1.00 0.00 H new ATOM 446 N ARG A 99 -6.727 -1.831 -6.189 1.00 0.00 N ATOM 447 CA ARG A 99 -8.168 -1.720 -6.380 1.00 0.00 C ATOM 448 C ARG A 99 -8.793 -3.093 -6.608 1.00 0.00 C ATOM 449 O ARG A 99 -9.669 -3.520 -5.857 1.00 0.00 O ATOM 450 CB ARG A 99 -8.477 -0.803 -7.565 1.00 0.00 C ATOM 451 CG ARG A 99 -9.929 -0.855 -8.012 1.00 0.00 C ATOM 452 CD ARG A 99 -10.203 0.137 -9.132 1.00 0.00 C ATOM 453 NE ARG A 99 -9.973 -0.449 -10.450 1.00 0.00 N ATOM 454 CZ ARG A 99 -9.755 0.271 -11.545 1.00 0.00 C ATOM 455 NH1 ARG A 99 -9.737 1.595 -11.480 1.00 0.00 N ATOM 456 NH2 ARG A 99 -9.553 -0.335 -12.708 1.00 0.00 N ATOM 0 H ARG A 99 -6.180 -1.128 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.598 -1.290 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.225 0.223 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.837 -1.079 -8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.171 -1.863 -8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.580 -0.638 -7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.234 0.484 -9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.563 1.011 -9.007 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.980 -1.465 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.891 2.064 -10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.569 2.145 -12.323 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.565 -1.354 -12.761 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.386 0.218 -13.549 1.00 0.00 H new ATOM 470 N ARG A 100 -8.337 -3.779 -7.651 1.00 0.00 N ATOM 471 CA ARG A 100 -8.853 -5.103 -7.980 1.00 0.00 C ATOM 472 C ARG A 100 -8.926 -5.982 -6.735 1.00 0.00 C ATOM 473 O ARG A 100 -9.896 -6.714 -6.534 1.00 0.00 O ATOM 474 CB ARG A 100 -7.970 -5.769 -9.037 1.00 0.00 C ATOM 475 CG ARG A 100 -8.287 -7.240 -9.255 1.00 0.00 C ATOM 476 CD ARG A 100 -7.970 -7.673 -10.678 1.00 0.00 C ATOM 477 NE ARG A 100 -8.724 -6.905 -11.665 1.00 0.00 N ATOM 478 CZ ARG A 100 -8.354 -6.774 -12.934 1.00 0.00 C ATOM 479 NH1 ARG A 100 -7.245 -7.358 -13.368 1.00 0.00 N ATOM 480 NH2 ARG A 100 -9.093 -6.059 -13.772 1.00 0.00 N ATOM 0 H ARG A 100 -7.611 -3.440 -8.283 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.860 -4.985 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.084 -5.237 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.926 -5.671 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.713 -7.845 -8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.341 -7.421 -9.045 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.903 -7.553 -10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.197 -8.733 -10.793 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.582 -6.444 -11.363 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.674 -7.909 -12.727 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.963 -7.256 -14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.947 -5.609 -13.442 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.807 -5.959 -14.746 1.00 0.00 H new ATOM 494 N THR A 101 -7.894 -5.906 -5.901 1.00 0.00 N ATOM 495 CA THR A 101 -7.840 -6.695 -4.677 1.00 0.00 C ATOM 496 C THR A 101 -8.904 -6.243 -3.684 1.00 0.00 C ATOM 497 O THR A 101 -9.344 -7.018 -2.835 1.00 0.00 O ATOM 498 CB THR A 101 -6.456 -6.601 -4.008 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.430 -6.905 -4.960 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.359 -7.556 -2.828 1.00 0.00 C ATOM 0 H THR A 101 -7.083 -5.305 -6.051 1.00 0.00 H new ATOM 0 HA THR A 101 -8.028 -7.731 -4.960 1.00 0.00 H new ATOM 0 HB THR A 101 -6.322 -5.583 -3.643 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.380 -6.189 -5.627 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.373 -7.472 -2.372 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.122 -7.303 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.513 -8.578 -3.174 1.00 0.00 H new ATOM 508 N ILE A 102 -9.314 -4.984 -3.796 1.00 0.00 N ATOM 509 CA ILE A 102 -10.328 -4.429 -2.908 1.00 0.00 C ATOM 510 C ILE A 102 -11.732 -4.778 -3.391 1.00 0.00 C ATOM 511 O ILE A 102 -12.494 -5.441 -2.687 1.00 0.00 O ATOM 512 CB ILE A 102 -10.202 -2.898 -2.796 1.00 0.00 C ATOM 513 CG1 ILE A 102 -8.771 -2.509 -2.419 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.190 -2.359 -1.772 1.00 0.00 C ATOM 515 CD1 ILE A 102 -8.213 -3.305 -1.260 1.00 0.00 C ATOM 0 H ILE A 102 -8.960 -4.329 -4.493 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.163 -4.872 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.436 -2.457 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.126 -2.645 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.746 -1.449 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.089 -1.276 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.205 -2.610 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -10.984 -2.804 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.196 -2.976 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -8.835 -3.150 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.205 -4.364 -1.516 1.00 0.00 H new ATOM 527 N ARG A 103 -12.066 -4.329 -4.596 1.00 0.00 N ATOM 528 CA ARG A 103 -13.378 -4.595 -5.174 1.00 0.00 C ATOM 529 C ARG A 103 -13.723 -6.078 -5.081 1.00 0.00 C ATOM 530 O ARG A 103 -14.850 -6.444 -4.750 1.00 0.00 O ATOM 531 CB ARG A 103 -13.416 -4.141 -6.635 1.00 0.00 C ATOM 532 CG ARG A 103 -12.258 -4.667 -7.466 1.00 0.00 C ATOM 533 CD ARG A 103 -12.396 -4.270 -8.928 1.00 0.00 C ATOM 534 NE ARG A 103 -13.498 -4.970 -9.583 1.00 0.00 N ATOM 535 CZ ARG A 103 -13.385 -6.180 -10.118 1.00 0.00 C ATOM 536 NH1 ARG A 103 -12.225 -6.822 -10.076 1.00 0.00 N ATOM 537 NH2 ARG A 103 -14.433 -6.751 -10.697 1.00 0.00 N ATOM 0 H ARG A 103 -11.446 -3.779 -5.191 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.119 -4.032 -4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.353 -4.469 -7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.411 -3.052 -6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.319 -4.280 -7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.215 -5.753 -7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.557 -3.194 -8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.465 -4.488 -9.452 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.404 -4.504 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -11.417 -6.386 -9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -12.141 -7.751 -10.488 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.327 -6.261 -10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.345 -7.681 -11.108 1.00 0.00 H new ATOM 551 N MET A 104 -12.744 -6.927 -5.377 1.00 0.00 N ATOM 552 CA MET A 104 -12.944 -8.371 -5.327 1.00 0.00 C ATOM 553 C MET A 104 -12.389 -8.952 -4.030 1.00 0.00 C ATOM 554 O MET A 104 -12.269 -10.168 -3.884 1.00 0.00 O ATOM 555 CB MET A 104 -12.276 -9.043 -6.528 1.00 0.00 C ATOM 556 CG MET A 104 -12.914 -8.681 -7.859 1.00 0.00 C ATOM 557 SD MET A 104 -14.159 -9.876 -8.380 1.00 0.00 S ATOM 558 CE MET A 104 -13.136 -11.308 -8.712 1.00 0.00 C ATOM 0 H MET A 104 -11.805 -6.640 -5.654 1.00 0.00 H new ATOM 0 HA MET A 104 -14.016 -8.565 -5.362 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.223 -8.763 -6.551 1.00 0.00 H new ATOM 0 HB3 MET A 104 -12.316 -10.124 -6.397 1.00 0.00 H new ATOM 0 HG2 MET A 104 -13.372 -7.695 -7.782 1.00 0.00 H new ATOM 0 HG3 MET A 104 -12.139 -8.613 -8.623 1.00 0.00 H new ATOM 0 HE1 MET A 104 -13.248 -11.601 -9.756 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.092 -11.064 -8.514 1.00 0.00 H new ATOM 0 HE3 MET A 104 -13.444 -12.132 -8.069 1.00 0.00 H new ATOM 568 N LYS A 105 -12.051 -8.074 -3.091 1.00 0.00 N ATOM 569 CA LYS A 105 -11.509 -8.499 -1.806 1.00 0.00 C ATOM 570 C LYS A 105 -10.655 -9.754 -1.963 1.00 0.00 C ATOM 571 O LYS A 105 -10.773 -10.699 -1.182 1.00 0.00 O ATOM 572 CB LYS A 105 -12.643 -8.762 -0.813 1.00 0.00 C ATOM 573 CG LYS A 105 -13.405 -7.510 -0.415 1.00 0.00 C ATOM 574 CD LYS A 105 -12.627 -6.678 0.590 1.00 0.00 C ATOM 575 CE LYS A 105 -13.186 -5.268 0.698 1.00 0.00 C ATOM 576 NZ LYS A 105 -12.789 -4.610 1.974 1.00 0.00 N ATOM 0 H LYS A 105 -12.143 -7.064 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.878 -7.697 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.339 -9.477 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.230 -9.226 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.611 -6.911 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.368 -7.790 0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.661 -7.160 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.579 -6.633 0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.833 -4.672 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.273 -5.302 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.190 -3.651 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.148 -5.165 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.752 -4.554 2.028 1.00 0.00 H new ATOM 590 N LEU A 106 -9.797 -9.756 -2.977 1.00 0.00 N ATOM 591 CA LEU A 106 -8.922 -10.895 -3.236 1.00 0.00 C ATOM 592 C LEU A 106 -7.938 -11.098 -2.088 1.00 0.00 C ATOM 593 O LEU A 106 -7.218 -10.177 -1.705 1.00 0.00 O ATOM 594 CB LEU A 106 -8.159 -10.690 -4.546 1.00 0.00 C ATOM 595 CG LEU A 106 -9.014 -10.567 -5.808 1.00 0.00 C ATOM 596 CD1 LEU A 106 -8.279 -9.769 -6.874 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.389 -11.944 -6.334 1.00 0.00 C ATOM 0 H LEU A 106 -9.688 -8.983 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.543 -11.787 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.552 -9.789 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.471 -11.525 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.931 -10.036 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.902 -9.692 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.061 -8.770 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.346 -10.273 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.997 -11.837 -7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.483 -12.501 -6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.956 -12.482 -5.574 1.00 0.00 H new ATOM 609 N GLU A 107 -7.913 -12.311 -1.544 1.00 0.00 N ATOM 610 CA GLU A 107 -7.016 -12.635 -0.441 1.00 0.00 C ATOM 611 C GLU A 107 -5.783 -13.379 -0.943 1.00 0.00 C ATOM 612 O GLU A 107 -5.801 -13.980 -2.018 1.00 0.00 O ATOM 613 CB GLU A 107 -7.745 -13.480 0.606 1.00 0.00 C ATOM 614 CG GLU A 107 -7.076 -13.468 1.970 1.00 0.00 C ATOM 615 CD GLU A 107 -7.980 -13.994 3.068 1.00 0.00 C ATOM 616 OE1 GLU A 107 -8.389 -15.171 2.987 1.00 0.00 O ATOM 617 OE2 GLU A 107 -8.278 -13.228 4.008 1.00 0.00 O ATOM 0 H GLU A 107 -8.503 -13.085 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.693 -11.701 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.767 -13.115 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.808 -14.509 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.169 -14.071 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.771 -12.450 2.212 1.00 0.00 H new ATOM 624 N TYR A 108 -4.712 -13.334 -0.158 1.00 0.00 N ATOM 625 CA TYR A 108 -3.468 -14.001 -0.523 1.00 0.00 C ATOM 626 C TYR A 108 -2.810 -14.634 0.699 1.00 0.00 C ATOM 627 O TYR A 108 -3.282 -14.473 1.824 1.00 0.00 O ATOM 628 CB TYR A 108 -2.505 -13.008 -1.177 1.00 0.00 C ATOM 629 CG TYR A 108 -3.021 -12.431 -2.477 1.00 0.00 C ATOM 630 CD1 TYR A 108 -3.564 -13.252 -3.457 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.964 -11.065 -2.723 1.00 0.00 C ATOM 632 CE1 TYR A 108 -4.036 -12.729 -4.645 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.435 -10.533 -3.909 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.969 -11.370 -4.867 1.00 0.00 C ATOM 635 OH TYR A 108 -4.438 -10.845 -6.049 1.00 0.00 O ATOM 0 H TYR A 108 -4.681 -12.842 0.735 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.705 -14.791 -1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.308 -12.193 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.553 -13.506 -1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.618 -14.317 -3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.545 -10.408 -1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.456 -13.382 -5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.385 -9.469 -4.085 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.318 -9.872 -6.045 1.00 0.00 H new ATOM 645 N GLU A 109 -1.717 -15.355 0.468 1.00 0.00 N ATOM 646 CA GLU A 109 -0.994 -16.013 1.550 1.00 0.00 C ATOM 647 C GLU A 109 0.186 -15.163 2.012 1.00 0.00 C ATOM 648 O GLU A 109 0.981 -14.689 1.199 1.00 0.00 O ATOM 649 CB GLU A 109 -0.500 -17.389 1.099 1.00 0.00 C ATOM 650 CG GLU A 109 -0.201 -18.335 2.250 1.00 0.00 C ATOM 651 CD GLU A 109 -0.053 -19.775 1.798 1.00 0.00 C ATOM 652 OE1 GLU A 109 -1.074 -20.386 1.417 1.00 0.00 O ATOM 653 OE2 GLU A 109 1.084 -20.292 1.826 1.00 0.00 O ATOM 0 H GLU A 109 -1.313 -15.498 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.680 -16.137 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.252 -17.842 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.401 -17.264 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.716 -18.018 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.002 -18.270 2.987 1.00 0.00 H new ATOM 660 N LYS A 110 0.293 -14.973 3.322 1.00 0.00 N ATOM 661 CA LYS A 110 1.375 -14.181 3.895 1.00 0.00 C ATOM 662 C LYS A 110 2.717 -14.571 3.284 1.00 0.00 C ATOM 663 O LYS A 110 3.039 -15.754 3.172 1.00 0.00 O ATOM 664 CB LYS A 110 1.421 -14.365 5.414 1.00 0.00 C ATOM 665 CG LYS A 110 2.477 -13.514 6.098 1.00 0.00 C ATOM 666 CD LYS A 110 2.767 -14.009 7.504 1.00 0.00 C ATOM 667 CE LYS A 110 4.078 -13.450 8.033 1.00 0.00 C ATOM 668 NZ LYS A 110 4.239 -13.696 9.493 1.00 0.00 N ATOM 0 H LYS A 110 -0.357 -15.357 4.008 1.00 0.00 H new ATOM 0 HA LYS A 110 1.183 -13.132 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.444 -14.121 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.611 -15.415 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.394 -13.529 5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.141 -12.478 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.953 -13.719 8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.808 -15.098 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.910 -13.904 7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.120 -12.378 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.145 -13.299 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.460 -13.241 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.225 -14.720 9.676 1.00 0.00 H new ATOM 682 N CYS A 111 3.497 -13.569 2.892 1.00 0.00 N ATOM 683 CA CYS A 111 4.805 -13.806 2.294 1.00 0.00 C ATOM 684 C CYS A 111 5.921 -13.325 3.217 1.00 0.00 C ATOM 685 O CYS A 111 6.187 -12.128 3.313 1.00 0.00 O ATOM 686 CB CYS A 111 4.907 -13.099 0.941 1.00 0.00 C ATOM 687 SG CYS A 111 6.444 -13.454 0.030 1.00 0.00 S ATOM 0 H CYS A 111 3.245 -12.584 2.978 1.00 0.00 H new ATOM 0 HA CYS A 111 4.919 -14.880 2.145 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.057 -13.392 0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 111 4.831 -12.023 1.099 1.00 0.00 H new ATOM 0 HG CYS A 111 6.796 -12.405 -0.653 1.00 0.00 H new ATOM 692 N GLU A 112 6.570 -14.268 3.893 1.00 0.00 N ATOM 693 CA GLU A 112 7.657 -13.940 4.808 1.00 0.00 C ATOM 694 C GLU A 112 8.829 -13.313 4.059 1.00 0.00 C ATOM 695 O GLU A 112 9.409 -12.324 4.508 1.00 0.00 O ATOM 696 CB GLU A 112 8.124 -15.194 5.551 1.00 0.00 C ATOM 697 CG GLU A 112 7.223 -15.586 6.710 1.00 0.00 C ATOM 698 CD GLU A 112 7.701 -16.835 7.424 1.00 0.00 C ATOM 699 OE1 GLU A 112 7.388 -17.947 6.951 1.00 0.00 O ATOM 700 OE2 GLU A 112 8.390 -16.699 8.457 1.00 0.00 O ATOM 0 H GLU A 112 6.362 -15.264 3.824 1.00 0.00 H new ATOM 0 HA GLU A 112 7.282 -13.216 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.178 -16.024 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.134 -15.029 5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 112 7.173 -14.762 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.211 -15.749 6.340 1.00 0.00 H new ATOM 707 N ARG A 113 9.172 -13.896 2.915 1.00 0.00 N ATOM 708 CA ARG A 113 10.276 -13.397 2.104 1.00 0.00 C ATOM 709 C ARG A 113 10.357 -11.874 2.174 1.00 0.00 C ATOM 710 O ARG A 113 11.445 -11.300 2.162 1.00 0.00 O ATOM 711 CB ARG A 113 10.111 -13.843 0.650 1.00 0.00 C ATOM 712 CG ARG A 113 10.064 -15.352 0.477 1.00 0.00 C ATOM 713 CD ARG A 113 9.280 -15.746 -0.765 1.00 0.00 C ATOM 714 NE ARG A 113 9.980 -15.380 -1.993 1.00 0.00 N ATOM 715 CZ ARG A 113 9.375 -15.225 -3.165 1.00 0.00 C ATOM 716 NH1 ARG A 113 8.065 -15.403 -3.268 1.00 0.00 N ATOM 717 NH2 ARG A 113 10.081 -14.890 -4.238 1.00 0.00 N ATOM 0 H ARG A 113 8.701 -14.714 2.529 1.00 0.00 H new ATOM 0 HA ARG A 113 11.202 -13.812 2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.194 -13.411 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 113 10.936 -13.444 0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.079 -15.743 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.607 -15.806 1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 113 9.103 -16.821 -0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 113 8.304 -15.262 -0.746 1.00 0.00 H new ATOM 0 HE ARG A 113 10.989 -15.235 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.519 -15.660 -2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 113 7.603 -15.283 -4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 113 11.089 -14.752 -4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 113 9.616 -14.771 -5.138 1.00 0.00 H new ATOM 731 N SER A 114 9.198 -11.228 2.248 1.00 0.00 N ATOM 732 CA SER A 114 9.137 -9.773 2.316 1.00 0.00 C ATOM 733 C SER A 114 9.715 -9.145 1.051 1.00 0.00 C ATOM 734 O SER A 114 10.502 -8.201 1.116 1.00 0.00 O ATOM 735 CB SER A 114 9.898 -9.266 3.543 1.00 0.00 C ATOM 736 OG SER A 114 9.612 -7.901 3.792 1.00 0.00 O ATOM 0 H SER A 114 8.288 -11.689 2.262 1.00 0.00 H new ATOM 0 HA SER A 114 8.090 -9.482 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.628 -9.862 4.414 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.969 -9.394 3.389 1.00 0.00 H new ATOM 0 HG SER A 114 9.834 -7.370 2.999 1.00 0.00 H new ATOM 742 N CYS A 115 9.317 -9.677 -0.100 1.00 0.00 N ATOM 743 CA CYS A 115 9.794 -9.172 -1.382 1.00 0.00 C ATOM 744 C CYS A 115 9.707 -7.649 -1.432 1.00 0.00 C ATOM 745 O CYS A 115 8.957 -7.033 -0.675 1.00 0.00 O ATOM 746 CB CYS A 115 8.981 -9.778 -2.527 1.00 0.00 C ATOM 747 SG CYS A 115 8.619 -11.552 -2.324 1.00 0.00 S ATOM 0 H CYS A 115 8.665 -10.458 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 115 10.838 -9.463 -1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.041 -9.234 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.525 -9.634 -3.461 1.00 0.00 H new ATOM 0 HG CYS A 115 7.340 -11.751 -2.445 1.00 0.00 H new ATOM 752 N LYS A 116 10.480 -7.048 -2.331 1.00 0.00 N ATOM 753 CA LYS A 116 10.491 -5.597 -2.483 1.00 0.00 C ATOM 754 C LYS A 116 9.914 -5.188 -3.834 1.00 0.00 C ATOM 755 O LYS A 116 10.468 -5.521 -4.882 1.00 0.00 O ATOM 756 CB LYS A 116 11.916 -5.060 -2.340 1.00 0.00 C ATOM 757 CG LYS A 116 12.856 -5.530 -3.436 1.00 0.00 C ATOM 758 CD LYS A 116 14.312 -5.371 -3.029 1.00 0.00 C ATOM 759 CE LYS A 116 14.742 -6.462 -2.061 1.00 0.00 C ATOM 760 NZ LYS A 116 16.223 -6.523 -1.916 1.00 0.00 N ATOM 0 H LYS A 116 11.107 -7.543 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 116 9.868 -5.169 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 116 11.886 -3.970 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.316 -5.367 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.654 -6.576 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.668 -4.961 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.944 -5.400 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 116 14.457 -4.395 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.289 -6.282 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.371 -7.425 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.476 -7.279 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 16.655 -6.720 -2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.574 -5.612 -1.557 1.00 0.00 H new ATOM 774 N ILE A 117 8.801 -4.463 -3.802 1.00 0.00 N ATOM 775 CA ILE A 117 8.153 -4.006 -5.025 1.00 0.00 C ATOM 776 C ILE A 117 8.927 -2.858 -5.663 1.00 0.00 C ATOM 777 O ILE A 117 9.072 -1.789 -5.069 1.00 0.00 O ATOM 778 CB ILE A 117 6.706 -3.549 -4.758 1.00 0.00 C ATOM 779 CG1 ILE A 117 5.964 -4.594 -3.923 1.00 0.00 C ATOM 780 CG2 ILE A 117 5.979 -3.299 -6.071 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.563 -5.822 -4.709 1.00 0.00 C ATOM 0 H ILE A 117 8.329 -4.180 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 117 8.138 -4.854 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 117 6.733 -2.615 -4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.597 -4.897 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.071 -4.138 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.958 -2.977 -5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.499 -2.523 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.959 -4.218 -6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.042 -6.519 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.904 -5.531 -5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.454 -6.302 -5.114 1.00 0.00 H new ATOM 793 N GLN A 118 9.422 -3.086 -6.875 1.00 0.00 N ATOM 794 CA GLN A 118 10.182 -2.070 -7.593 1.00 0.00 C ATOM 795 C GLN A 118 9.552 -1.779 -8.952 1.00 0.00 C ATOM 796 O GLN A 118 8.798 -2.592 -9.486 1.00 0.00 O ATOM 797 CB GLN A 118 11.632 -2.520 -7.776 1.00 0.00 C ATOM 798 CG GLN A 118 12.509 -2.255 -6.563 1.00 0.00 C ATOM 799 CD GLN A 118 12.714 -0.776 -6.302 1.00 0.00 C ATOM 800 OE1 GLN A 118 13.485 -0.113 -6.997 1.00 0.00 O ATOM 801 NE2 GLN A 118 12.023 -0.250 -5.298 1.00 0.00 N ATOM 0 H GLN A 118 9.310 -3.965 -7.380 1.00 0.00 H new ATOM 0 HA GLN A 118 10.166 -1.155 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.647 -3.587 -7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.056 -2.008 -8.640 1.00 0.00 H new ATOM 0 HG2 GLN A 118 12.056 -2.716 -5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 118 13.478 -2.732 -6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.395 -0.837 -4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 118 12.120 0.741 -5.076 1.00 0.00 H new ATOM 810 N LYS A 119 9.867 -0.613 -9.507 1.00 0.00 N ATOM 811 CA LYS A 119 9.333 -0.214 -10.804 1.00 0.00 C ATOM 812 C LYS A 119 9.666 -1.251 -11.871 1.00 0.00 C ATOM 813 O LYS A 119 8.789 -1.702 -12.609 1.00 0.00 O ATOM 814 CB LYS A 119 9.894 1.150 -11.211 1.00 0.00 C ATOM 815 CG LYS A 119 11.410 1.183 -11.299 1.00 0.00 C ATOM 816 CD LYS A 119 11.921 2.579 -11.612 1.00 0.00 C ATOM 817 CE LYS A 119 12.053 3.419 -10.351 1.00 0.00 C ATOM 818 NZ LYS A 119 13.125 2.907 -9.453 1.00 0.00 N ATOM 0 H LYS A 119 10.489 0.072 -9.079 1.00 0.00 H new ATOM 0 HA LYS A 119 8.249 -0.143 -10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.476 1.431 -12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.564 1.899 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.837 0.841 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.746 0.490 -12.071 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.889 2.511 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.240 3.069 -12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.270 4.452 -10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.103 3.424 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.454 3.674 -8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.750 2.129 -8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.921 2.560 -10.025 1.00 0.00 H new ATOM 832 N LYS A 120 10.938 -1.628 -11.948 1.00 0.00 N ATOM 833 CA LYS A 120 11.387 -2.614 -12.924 1.00 0.00 C ATOM 834 C LYS A 120 10.472 -3.835 -12.923 1.00 0.00 C ATOM 835 O LYS A 120 9.936 -4.221 -13.961 1.00 0.00 O ATOM 836 CB LYS A 120 12.825 -3.041 -12.623 1.00 0.00 C ATOM 837 CG LYS A 120 13.825 -1.899 -12.689 1.00 0.00 C ATOM 838 CD LYS A 120 14.052 -1.439 -14.119 1.00 0.00 C ATOM 839 CE LYS A 120 15.159 -0.399 -14.201 1.00 0.00 C ATOM 840 NZ LYS A 120 16.495 -0.986 -13.905 1.00 0.00 N ATOM 0 H LYS A 120 11.677 -1.265 -11.345 1.00 0.00 H new ATOM 0 HA LYS A 120 11.350 -2.155 -13.912 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.862 -3.488 -11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 120 13.122 -3.814 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.464 -1.063 -12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 120 14.772 -2.218 -12.254 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.310 -2.296 -14.741 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.128 -1.021 -14.519 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.169 0.043 -15.197 1.00 0.00 H new ATOM 0 HE3 LYS A 120 14.953 0.407 -13.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.239 -0.314 -14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 16.569 -1.184 -12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 16.612 -1.870 -14.439 1.00 0.00 H new ATOM 854 N ASN A 121 10.298 -4.438 -11.751 1.00 0.00 N ATOM 855 CA ASN A 121 9.448 -5.615 -11.616 1.00 0.00 C ATOM 856 C ASN A 121 8.370 -5.388 -10.560 1.00 0.00 C ATOM 857 O ASN A 121 8.575 -5.672 -9.379 1.00 0.00 O ATOM 858 CB ASN A 121 10.289 -6.838 -11.248 1.00 0.00 C ATOM 859 CG ASN A 121 11.620 -6.864 -11.975 1.00 0.00 C ATOM 860 OD1 ASN A 121 11.670 -6.993 -13.198 1.00 0.00 O ATOM 861 ND2 ASN A 121 12.707 -6.742 -11.222 1.00 0.00 N ATOM 0 H ASN A 121 10.734 -4.131 -10.882 1.00 0.00 H new ATOM 0 HA ASN A 121 8.961 -5.793 -12.575 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.465 -6.844 -10.172 1.00 0.00 H new ATOM 0 HB3 ASN A 121 9.731 -7.744 -11.485 1.00 0.00 H new ATOM 0 HD21 ASN A 121 13.631 -6.753 -11.654 1.00 0.00 H new ATOM 0 HD22 ASN A 121 12.618 -6.637 -10.211 1.00 0.00 H new ATOM 868 N ARG A 122 7.223 -4.877 -10.993 1.00 0.00 N ATOM 869 CA ARG A 122 6.113 -4.612 -10.085 1.00 0.00 C ATOM 870 C ARG A 122 5.328 -5.889 -9.799 1.00 0.00 C ATOM 871 O ARG A 122 4.980 -6.171 -8.653 1.00 0.00 O ATOM 872 CB ARG A 122 5.183 -3.552 -10.678 1.00 0.00 C ATOM 873 CG ARG A 122 5.798 -2.162 -10.728 1.00 0.00 C ATOM 874 CD ARG A 122 5.024 -1.244 -11.661 1.00 0.00 C ATOM 875 NE ARG A 122 5.372 -1.468 -13.062 1.00 0.00 N ATOM 876 CZ ARG A 122 5.122 -0.594 -14.030 1.00 0.00 C ATOM 877 NH1 ARG A 122 4.525 0.556 -13.751 1.00 0.00 N ATOM 878 NH2 ARG A 122 5.469 -0.870 -15.281 1.00 0.00 N ATOM 0 H ARG A 122 7.037 -4.638 -11.967 1.00 0.00 H new ATOM 0 HA ARG A 122 6.525 -4.241 -9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.901 -3.852 -11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.267 -3.514 -10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.815 -1.734 -9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.833 -2.233 -11.062 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.955 -1.405 -11.523 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.227 -0.206 -11.399 1.00 0.00 H new ATOM 0 HE ARG A 122 5.832 -2.344 -13.310 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.256 0.771 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.334 1.226 -14.496 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.928 -1.754 -15.500 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.276 -0.198 -16.024 1.00 0.00 H new ATOM 892 N ASN A 123 5.053 -6.657 -10.849 1.00 0.00 N ATOM 893 CA ASN A 123 4.309 -7.903 -10.710 1.00 0.00 C ATOM 894 C ASN A 123 5.217 -9.028 -10.223 1.00 0.00 C ATOM 895 O ASN A 123 5.276 -10.100 -10.827 1.00 0.00 O ATOM 896 CB ASN A 123 3.669 -8.290 -12.045 1.00 0.00 C ATOM 897 CG ASN A 123 2.861 -9.570 -11.949 1.00 0.00 C ATOM 898 OD1 ASN A 123 1.925 -9.668 -11.156 1.00 0.00 O ATOM 899 ND2 ASN A 123 3.221 -10.559 -12.759 1.00 0.00 N ATOM 0 H ASN A 123 5.334 -6.438 -11.805 1.00 0.00 H new ATOM 0 HA ASN A 123 3.524 -7.748 -9.970 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.023 -7.480 -12.383 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.449 -8.411 -12.797 1.00 0.00 H new ATOM 0 HD21 ASN A 123 2.715 -11.444 -12.739 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.004 -10.433 -13.401 1.00 0.00 H new ATOM 906 N LYS A 124 5.925 -8.777 -9.127 1.00 0.00 N ATOM 907 CA LYS A 124 6.829 -9.768 -8.556 1.00 0.00 C ATOM 908 C LYS A 124 6.102 -10.652 -7.548 1.00 0.00 C ATOM 909 O LYS A 124 6.028 -11.870 -7.714 1.00 0.00 O ATOM 910 CB LYS A 124 8.017 -9.077 -7.882 1.00 0.00 C ATOM 911 CG LYS A 124 9.153 -8.752 -8.836 1.00 0.00 C ATOM 912 CD LYS A 124 9.883 -10.008 -9.282 1.00 0.00 C ATOM 913 CE LYS A 124 10.766 -10.563 -8.175 1.00 0.00 C ATOM 914 NZ LYS A 124 11.998 -9.747 -7.987 1.00 0.00 N ATOM 0 H LYS A 124 5.890 -7.895 -8.616 1.00 0.00 H new ATOM 0 HA LYS A 124 7.195 -10.398 -9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 124 7.672 -8.155 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.395 -9.718 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.759 -8.230 -9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.855 -8.075 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.158 -10.764 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.493 -9.784 -10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.204 -10.592 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.043 -11.590 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.636 -10.229 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.478 -9.627 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.742 -8.814 -7.605 1.00 0.00 H new ATOM 928 N CYS A 125 5.566 -10.031 -6.503 1.00 0.00 N ATOM 929 CA CYS A 125 4.843 -10.761 -5.468 1.00 0.00 C ATOM 930 C CYS A 125 3.382 -10.325 -5.414 1.00 0.00 C ATOM 931 O CYS A 125 3.056 -9.175 -5.710 1.00 0.00 O ATOM 932 CB CYS A 125 5.503 -10.541 -4.105 1.00 0.00 C ATOM 933 SG CYS A 125 4.814 -11.573 -2.771 1.00 0.00 S ATOM 0 H CYS A 125 5.619 -9.024 -6.350 1.00 0.00 H new ATOM 0 HA CYS A 125 4.878 -11.822 -5.715 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.570 -10.744 -4.193 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.400 -9.492 -3.828 1.00 0.00 H new ATOM 0 HG CYS A 125 5.241 -11.139 -1.622 1.00 0.00 H new ATOM 938 N GLN A 126 2.507 -11.250 -5.035 1.00 0.00 N ATOM 939 CA GLN A 126 1.081 -10.961 -4.943 1.00 0.00 C ATOM 940 C GLN A 126 0.724 -10.416 -3.565 1.00 0.00 C ATOM 941 O GLN A 126 -0.075 -9.487 -3.441 1.00 0.00 O ATOM 942 CB GLN A 126 0.264 -12.222 -5.233 1.00 0.00 C ATOM 943 CG GLN A 126 0.136 -12.536 -6.715 1.00 0.00 C ATOM 944 CD GLN A 126 -0.483 -13.896 -6.972 1.00 0.00 C ATOM 945 OE1 GLN A 126 -1.536 -14.225 -6.424 1.00 0.00 O ATOM 946 NE2 GLN A 126 0.168 -14.695 -7.809 1.00 0.00 N ATOM 0 H GLN A 126 2.760 -12.206 -4.787 1.00 0.00 H new ATOM 0 HA GLN A 126 0.841 -10.202 -5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.728 -13.070 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.733 -12.105 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.471 -11.768 -7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.122 -12.497 -7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.037 -14.382 -8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -0.201 -15.622 -8.020 1.00 0.00 H new ATOM 955 N TYR A 127 1.320 -10.998 -2.530 1.00 0.00 N ATOM 956 CA TYR A 127 1.063 -10.572 -1.160 1.00 0.00 C ATOM 957 C TYR A 127 1.813 -9.283 -0.840 1.00 0.00 C ATOM 958 O TYR A 127 1.210 -8.221 -0.684 1.00 0.00 O ATOM 959 CB TYR A 127 1.471 -11.671 -0.177 1.00 0.00 C ATOM 960 CG TYR A 127 0.931 -11.464 1.220 1.00 0.00 C ATOM 961 CD1 TYR A 127 1.631 -10.706 2.151 1.00 0.00 C ATOM 962 CD2 TYR A 127 -0.278 -12.027 1.609 1.00 0.00 C ATOM 963 CE1 TYR A 127 1.141 -10.515 3.429 1.00 0.00 C ATOM 964 CE2 TYR A 127 -0.775 -11.840 2.885 1.00 0.00 C ATOM 965 CZ TYR A 127 -0.062 -11.084 3.791 1.00 0.00 C ATOM 966 OH TYR A 127 -0.553 -10.897 5.063 1.00 0.00 O ATOM 0 H TYR A 127 1.985 -11.767 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 127 -0.006 -10.383 -1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 127 1.122 -12.632 -0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.559 -11.722 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 127 2.573 -10.259 1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -0.839 -12.621 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 127 1.697 -9.923 4.141 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -1.717 -12.284 3.171 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.410 -11.363 5.155 1.00 0.00 H new ATOM 976 N CYS A 128 3.135 -9.384 -0.745 1.00 0.00 N ATOM 977 CA CYS A 128 3.971 -8.228 -0.444 1.00 0.00 C ATOM 978 C CYS A 128 3.422 -6.971 -1.112 1.00 0.00 C ATOM 979 O CYS A 128 3.346 -5.909 -0.494 1.00 0.00 O ATOM 980 CB CYS A 128 5.408 -8.478 -0.905 1.00 0.00 C ATOM 981 SG CYS A 128 6.301 -9.720 0.084 1.00 0.00 S ATOM 0 H CYS A 128 3.650 -10.255 -0.872 1.00 0.00 H new ATOM 0 HA CYS A 128 3.964 -8.077 0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.393 -8.800 -1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.958 -7.538 -0.870 1.00 0.00 H new ATOM 0 HG CYS A 128 6.180 -9.437 1.347 1.00 0.00 H new ATOM 986 N ARG A 129 3.040 -7.100 -2.379 1.00 0.00 N ATOM 987 CA ARG A 129 2.499 -5.974 -3.132 1.00 0.00 C ATOM 988 C ARG A 129 1.352 -5.313 -2.372 1.00 0.00 C ATOM 989 O ARG A 129 1.398 -4.120 -2.074 1.00 0.00 O ATOM 990 CB ARG A 129 2.014 -6.439 -4.506 1.00 0.00 C ATOM 991 CG ARG A 129 1.808 -5.303 -5.495 1.00 0.00 C ATOM 992 CD ARG A 129 1.724 -5.818 -6.924 1.00 0.00 C ATOM 993 NE ARG A 129 1.426 -4.749 -7.874 1.00 0.00 N ATOM 994 CZ ARG A 129 2.319 -3.851 -8.273 1.00 0.00 C ATOM 995 NH1 ARG A 129 3.560 -3.893 -7.808 1.00 0.00 N ATOM 996 NH2 ARG A 129 1.973 -2.908 -9.140 1.00 0.00 N ATOM 0 H ARG A 129 3.095 -7.972 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 129 3.295 -5.241 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.737 -7.142 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.076 -6.980 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.894 -4.764 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.630 -4.592 -5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.668 -6.291 -7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.953 -6.586 -6.988 1.00 0.00 H new ATOM 0 HE ARG A 129 0.480 -4.689 -8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.831 -4.617 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.244 -3.202 -8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.020 -2.872 -9.501 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.660 -2.219 -9.445 1.00 0.00 H new ATOM 1010 N PHE A 130 0.325 -6.097 -2.063 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.835 -5.588 -1.340 1.00 0.00 C ATOM 1012 C PHE A 130 -0.420 -4.992 0.002 1.00 0.00 C ATOM 1013 O PHE A 130 -0.842 -3.893 0.361 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.857 -6.706 -1.120 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.195 -6.211 -0.652 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -3.896 -5.269 -1.388 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.752 -6.686 0.524 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.129 -4.812 -0.960 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.984 -6.233 0.956 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.672 -5.294 0.214 1.00 0.00 C ATOM 0 H PHE A 130 0.272 -7.087 -2.302 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.291 -4.802 -1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.988 -7.256 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.462 -7.409 -0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.475 -4.887 -2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -3.217 -7.419 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.666 -4.079 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.408 -6.613 1.873 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.634 -4.937 0.552 1.00 0.00 H new ATOM 1030 N GLN A 131 0.408 -5.726 0.738 1.00 0.00 N ATOM 1031 CA GLN A 131 0.878 -5.270 2.041 1.00 0.00 C ATOM 1032 C GLN A 131 1.409 -3.843 1.960 1.00 0.00 C ATOM 1033 O GLN A 131 0.959 -2.959 2.689 1.00 0.00 O ATOM 1034 CB GLN A 131 1.970 -6.204 2.567 1.00 0.00 C ATOM 1035 CG GLN A 131 1.434 -7.363 3.392 1.00 0.00 C ATOM 1036 CD GLN A 131 0.508 -6.909 4.503 1.00 0.00 C ATOM 1037 OE1 GLN A 131 0.625 -5.793 5.008 1.00 0.00 O ATOM 1038 NE2 GLN A 131 -0.422 -7.775 4.889 1.00 0.00 N ATOM 0 H GLN A 131 0.767 -6.638 0.455 1.00 0.00 H new ATOM 0 HA GLN A 131 0.033 -5.285 2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.535 -6.600 1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.667 -5.628 3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.900 -8.053 2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.270 -7.914 3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -0.483 -8.690 4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -1.075 -7.525 5.632 1.00 0.00 H new ATOM 1047 N LYS A 132 2.369 -3.624 1.068 1.00 0.00 N ATOM 1048 CA LYS A 132 2.961 -2.304 0.889 1.00 0.00 C ATOM 1049 C LYS A 132 1.892 -1.217 0.929 1.00 0.00 C ATOM 1050 O LYS A 132 1.985 -0.269 1.710 1.00 0.00 O ATOM 1051 CB LYS A 132 3.721 -2.238 -0.438 1.00 0.00 C ATOM 1052 CG LYS A 132 4.377 -0.893 -0.697 1.00 0.00 C ATOM 1053 CD LYS A 132 5.516 -1.012 -1.696 1.00 0.00 C ATOM 1054 CE LYS A 132 6.494 0.146 -1.566 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.463 -0.069 -0.455 1.00 0.00 N ATOM 0 H LYS A 132 2.754 -4.345 0.457 1.00 0.00 H new ATOM 0 HA LYS A 132 3.658 -2.133 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.486 -3.014 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.032 -2.460 -1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.633 -0.191 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.755 -0.485 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.042 -1.954 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.113 -1.037 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 132 7.037 0.270 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 132 5.942 1.070 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.112 0.742 -0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 6.947 -0.162 0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 8.008 -0.937 -0.632 1.00 0.00 H new ATOM 1069 N CYS A 133 0.877 -1.362 0.084 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.212 -0.392 0.024 1.00 0.00 C ATOM 1071 C CYS A 133 -0.712 -0.048 1.423 1.00 0.00 C ATOM 1072 O CYS A 133 -0.691 1.113 1.833 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.363 -0.939 -0.822 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.078 -0.844 -2.605 1.00 0.00 S ATOM 0 H CYS A 133 0.785 -2.141 -0.568 1.00 0.00 H new ATOM 0 HA CYS A 133 0.170 0.518 -0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.539 -1.979 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.272 -0.388 -0.580 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.769 0.138 -3.103 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.161 -1.064 2.151 1.00 0.00 N ATOM 1081 CA LEU A 134 -1.669 -0.870 3.505 1.00 0.00 C ATOM 1082 C LEU A 134 -0.688 -0.056 4.343 1.00 0.00 C ATOM 1083 O LEU A 134 -1.082 0.866 5.057 1.00 0.00 O ATOM 1084 CB LEU A 134 -1.928 -2.221 4.173 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.002 -3.095 3.525 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -2.934 -4.515 4.067 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.384 -2.500 3.756 1.00 0.00 C ATOM 0 H LEU A 134 -1.184 -2.031 1.827 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.607 -0.319 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -0.993 -2.781 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.210 -2.043 5.211 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.817 -3.129 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.706 -5.122 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.954 -4.941 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.093 -4.501 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.136 -3.135 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.578 -2.436 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.428 -1.502 3.319 1.00 0.00 H new ATOM 1099 N ALA A 135 0.592 -0.401 4.248 1.00 0.00 N ATOM 1100 CA ALA A 135 1.630 0.300 4.993 1.00 0.00 C ATOM 1101 C ALA A 135 1.804 1.726 4.482 1.00 0.00 C ATOM 1102 O ALA A 135 2.135 2.634 5.246 1.00 0.00 O ATOM 1103 CB ALA A 135 2.946 -0.459 4.906 1.00 0.00 C ATOM 0 H ALA A 135 0.935 -1.162 3.662 1.00 0.00 H new ATOM 0 HA ALA A 135 1.322 0.352 6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.712 0.076 5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.819 -1.457 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.251 -0.541 3.863 1.00 0.00 H new ATOM 1109 N LEU A 136 1.581 1.917 3.186 1.00 0.00 N ATOM 1110 CA LEU A 136 1.714 3.233 2.573 1.00 0.00 C ATOM 1111 C LEU A 136 0.658 4.194 3.110 1.00 0.00 C ATOM 1112 O LEU A 136 0.868 5.405 3.146 1.00 0.00 O ATOM 1113 CB LEU A 136 1.594 3.123 1.052 1.00 0.00 C ATOM 1114 CG LEU A 136 2.859 2.693 0.308 1.00 0.00 C ATOM 1115 CD1 LEU A 136 2.554 2.438 -1.160 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.948 3.746 0.453 1.00 0.00 C ATOM 0 H LEU A 136 1.307 1.177 2.540 1.00 0.00 H new ATOM 0 HA LEU A 136 2.698 3.627 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.801 2.412 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 136 1.278 4.090 0.662 1.00 0.00 H new ATOM 0 HG LEU A 136 3.219 1.764 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.466 2.133 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.808 1.648 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.169 3.350 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.840 3.423 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.598 4.691 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.187 3.880 1.508 1.00 0.00 H new ATOM 1128 N GLY A 137 -0.478 3.643 3.527 1.00 0.00 N ATOM 1129 CA GLY A 137 -1.549 4.465 4.059 1.00 0.00 C ATOM 1130 C GLY A 137 -2.805 4.398 3.213 1.00 0.00 C ATOM 1131 O GLY A 137 -3.635 5.306 3.250 1.00 0.00 O ATOM 0 H GLY A 137 -0.676 2.643 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -1.781 4.143 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.212 5.500 4.122 1.00 0.00 H new ATOM 1135 N MET A 138 -2.945 3.320 2.448 1.00 0.00 N ATOM 1136 CA MET A 138 -4.109 3.139 1.588 1.00 0.00 C ATOM 1137 C MET A 138 -5.333 2.744 2.408 1.00 0.00 C ATOM 1138 O MET A 138 -5.247 2.565 3.623 1.00 0.00 O ATOM 1139 CB MET A 138 -3.826 2.074 0.527 1.00 0.00 C ATOM 1140 CG MET A 138 -3.099 2.612 -0.695 1.00 0.00 C ATOM 1141 SD MET A 138 -3.211 1.504 -2.113 1.00 0.00 S ATOM 1142 CE MET A 138 -2.890 2.642 -3.458 1.00 0.00 C ATOM 0 H MET A 138 -2.267 2.559 2.406 1.00 0.00 H new ATOM 0 HA MET A 138 -4.315 4.088 1.093 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.230 1.278 0.973 1.00 0.00 H new ATOM 0 HB3 MET A 138 -4.769 1.628 0.211 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.516 3.583 -0.963 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.050 2.774 -0.447 1.00 0.00 H new ATOM 0 HE1 MET A 138 -3.166 2.175 -4.403 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.478 3.548 -3.316 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.830 2.896 -3.474 1.00 0.00 H new ATOM 1152 N SER A 139 -6.472 2.611 1.736 1.00 0.00 N ATOM 1153 CA SER A 139 -7.715 2.241 2.403 1.00 0.00 C ATOM 1154 C SER A 139 -8.692 1.606 1.419 1.00 0.00 C ATOM 1155 O SER A 139 -8.458 1.601 0.209 1.00 0.00 O ATOM 1156 CB SER A 139 -8.354 3.469 3.054 1.00 0.00 C ATOM 1157 OG SER A 139 -7.832 3.688 4.352 1.00 0.00 O ATOM 0 H SER A 139 -6.560 2.754 0.730 1.00 0.00 H new ATOM 0 HA SER A 139 -7.480 1.510 3.176 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.175 4.347 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.434 3.333 3.111 1.00 0.00 H new ATOM 0 HG SER A 139 -6.939 3.289 4.417 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.789 1.071 1.945 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.804 0.433 1.113 1.00 0.00 C ATOM 1165 C HIS A 140 -12.136 1.168 1.222 1.00 0.00 C ATOM 1166 O HIS A 140 -12.229 2.213 1.865 1.00 0.00 O ATOM 1167 CB HIS A 140 -10.980 -1.030 1.520 1.00 0.00 C ATOM 1168 CG HIS A 140 -11.228 -1.219 2.985 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -12.483 -1.152 3.551 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -10.372 -1.477 4.001 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -12.388 -1.358 4.853 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -11.117 -1.558 5.151 1.00 0.00 N ATOM 0 H HIS A 140 -9.998 1.066 2.943 1.00 0.00 H new ATOM 0 HA HIS A 140 -10.470 0.476 0.076 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -11.813 -1.456 0.961 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -10.087 -1.587 1.236 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -9.302 -1.597 3.922 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -13.210 -1.362 5.554 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -10.749 -1.743 6.084 1.00 0.00 H new