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 111 CYS SG : rot -150:sc= -0.518 USER MOD Set 1.2: A 115 CYS SG : rot 126:sc= 1.24 USER MOD Set 1.3: A 125 CYS SG : rot -152:sc= 0.971 USER MOD Set 1.4: A 128 CYS SG : rot 142:sc= -0.302 USER MOD Set 2.1: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 126 GLN : amide:sc= -1.65 K(o=-1.6,f=-4.3!) USER MOD Set 3.1: A 74 CYS SG : rot 153:sc= 0.883 USER MOD Set 3.2: A 77 CYS SG : rot -47:sc= -0.408 USER MOD Set 3.3: A 91 CYS SG : rot -130:sc= 0.989 USER MOD Set 3.4: A 94 CYS SG : rot 89:sc= -1.52 USER MOD Set 4.1: A 85 HIS : no HE2:sc= -2.92! C(o=-2.1!,f=-4.6!) USER MOD Set 4.2: A 95 LYS NZ :NH3+ -118:sc= 0.827 (180deg=-0.0101) 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 86 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 89 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 101 THR OG1 : rot 69:sc= 0.205 USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 165:sc= -0.0473 (180deg=-0.313) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 67:sc= 0.81 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.229 K(o=-0.23,f=-4.1!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.196) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 123 ASN : amide:sc= -0.0704 K(o=-0.07,f=-1.7) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.0092) USER MOD Single : A 132 LYS NZ :NH3+ -159:sc= 0.485 (180deg=0.211) USER MOD Single : A 133 CYS SG : rot -105:sc= 0.061 USER MOD Single : A 138 MET CE :methyl -173:sc= 0 (180deg=-0.137) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= 0.083 K(o=0.083,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 5.891 11.029 -7.799 1.00 0.00 N ATOM 84 CA GLU A 73 6.221 9.660 -8.178 1.00 0.00 C ATOM 85 C GLU A 73 5.466 8.658 -7.311 1.00 0.00 C ATOM 86 O GLU A 73 5.257 8.884 -6.119 1.00 0.00 O ATOM 87 CB GLU A 73 7.728 9.423 -8.056 1.00 0.00 C ATOM 88 CG GLU A 73 8.205 9.262 -6.623 1.00 0.00 C ATOM 89 CD GLU A 73 9.708 9.094 -6.523 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.249 8.182 -7.184 1.00 0.00 O ATOM 91 OE2 GLU A 73 10.344 9.874 -5.785 1.00 0.00 O ATOM 0 HA GLU A 73 5.920 9.515 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.994 8.529 -8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.257 10.259 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.901 10.134 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.716 8.396 -6.177 1.00 0.00 H new ATOM 98 N CYS A 74 5.058 7.548 -7.918 1.00 0.00 N ATOM 99 CA CYS A 74 4.324 6.510 -7.204 1.00 0.00 C ATOM 100 C CYS A 74 5.019 6.159 -5.891 1.00 0.00 C ATOM 101 O CYS A 74 6.242 6.243 -5.783 1.00 0.00 O ATOM 102 CB CYS A 74 4.192 5.259 -8.074 1.00 0.00 C ATOM 103 SG CYS A 74 3.226 3.919 -7.307 1.00 0.00 S ATOM 0 H CYS A 74 5.224 7.344 -8.904 1.00 0.00 H new ATOM 0 HA CYS A 74 3.329 6.893 -6.978 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.724 5.534 -9.019 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.189 4.886 -8.308 1.00 0.00 H new ATOM 0 HG CYS A 74 2.684 3.188 -8.236 1.00 0.00 H new ATOM 108 N ARG A 75 4.229 5.766 -4.897 1.00 0.00 N ATOM 109 CA ARG A 75 4.768 5.403 -3.592 1.00 0.00 C ATOM 110 C ARG A 75 4.863 3.887 -3.445 1.00 0.00 C ATOM 111 O ARG A 75 5.660 3.378 -2.657 1.00 0.00 O ATOM 112 CB ARG A 75 3.893 5.980 -2.477 1.00 0.00 C ATOM 113 CG ARG A 75 3.875 7.499 -2.441 1.00 0.00 C ATOM 114 CD ARG A 75 5.076 8.053 -1.691 1.00 0.00 C ATOM 115 NE ARG A 75 5.048 7.698 -0.275 1.00 0.00 N ATOM 116 CZ ARG A 75 6.107 7.776 0.523 1.00 0.00 C ATOM 117 NH1 ARG A 75 7.271 8.195 0.046 1.00 0.00 N ATOM 118 NH2 ARG A 75 6.003 7.435 1.801 1.00 0.00 N ATOM 0 H ARG A 75 3.214 5.691 -4.970 1.00 0.00 H new ATOM 0 HA ARG A 75 5.771 5.822 -3.512 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.873 5.616 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.249 5.607 -1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.869 7.888 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.957 7.842 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.992 7.672 -2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.098 9.138 -1.792 1.00 0.00 H new ATOM 0 HE ARG A 75 4.167 7.372 0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.355 8.458 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.083 8.254 0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.109 7.113 2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.817 7.495 2.413 1.00 0.00 H new ATOM 132 N VAL A 76 4.044 3.171 -4.210 1.00 0.00 N ATOM 133 CA VAL A 76 4.037 1.714 -4.166 1.00 0.00 C ATOM 134 C VAL A 76 5.252 1.136 -4.882 1.00 0.00 C ATOM 135 O VAL A 76 6.059 0.424 -4.283 1.00 0.00 O ATOM 136 CB VAL A 76 2.758 1.140 -4.805 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.837 -0.376 -4.888 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.529 1.576 -4.020 1.00 0.00 C ATOM 0 H VAL A 76 3.377 3.577 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 76 4.069 1.429 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 76 2.672 1.531 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.925 -0.764 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.695 -0.663 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.948 -0.790 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.634 1.162 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.605 1.215 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.466 2.664 -4.018 1.00 0.00 H new ATOM 148 N CYS A 77 5.378 1.448 -6.168 1.00 0.00 N ATOM 149 CA CYS A 77 6.496 0.960 -6.967 1.00 0.00 C ATOM 150 C CYS A 77 7.553 2.046 -7.144 1.00 0.00 C ATOM 151 O CYS A 77 8.747 1.796 -6.984 1.00 0.00 O ATOM 152 CB CYS A 77 6.002 0.486 -8.336 1.00 0.00 C ATOM 153 SG CYS A 77 5.442 1.830 -9.431 1.00 0.00 S ATOM 0 H CYS A 77 4.720 2.036 -6.679 1.00 0.00 H new ATOM 0 HA CYS A 77 6.948 0.120 -6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.805 -0.061 -8.831 1.00 0.00 H new ATOM 0 HB3 CYS A 77 5.181 -0.216 -8.191 1.00 0.00 H new ATOM 0 HG CYS A 77 4.650 2.624 -8.773 1.00 0.00 H new ATOM 158 N GLY A 78 7.104 3.253 -7.474 1.00 0.00 N ATOM 159 CA GLY A 78 8.024 4.359 -7.667 1.00 0.00 C ATOM 160 C GLY A 78 7.772 5.104 -8.962 1.00 0.00 C ATOM 161 O GLY A 78 7.857 6.332 -9.007 1.00 0.00 O ATOM 0 H GLY A 78 6.120 3.485 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.935 5.052 -6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.047 3.982 -7.662 1.00 0.00 H new ATOM 165 N ASP A 79 7.462 4.362 -10.019 1.00 0.00 N ATOM 166 CA ASP A 79 7.197 4.960 -11.323 1.00 0.00 C ATOM 167 C ASP A 79 6.283 6.174 -11.188 1.00 0.00 C ATOM 168 O ASP A 79 5.457 6.245 -10.278 1.00 0.00 O ATOM 169 CB ASP A 79 6.564 3.931 -12.260 1.00 0.00 C ATOM 170 CG ASP A 79 6.544 4.397 -13.703 1.00 0.00 C ATOM 171 OD1 ASP A 79 7.434 5.186 -14.083 1.00 0.00 O ATOM 172 OD2 ASP A 79 5.637 3.974 -14.451 1.00 0.00 O ATOM 0 H ASP A 79 7.388 3.345 -9.999 1.00 0.00 H new ATOM 0 HA ASP A 79 8.147 5.288 -11.745 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.116 2.994 -12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.545 3.725 -11.934 1.00 0.00 H new ATOM 177 N LYS A 80 6.437 7.128 -12.100 1.00 0.00 N ATOM 178 CA LYS A 80 5.626 8.340 -12.084 1.00 0.00 C ATOM 179 C LYS A 80 4.201 8.035 -11.632 1.00 0.00 C ATOM 180 O LYS A 80 3.583 7.079 -12.100 1.00 0.00 O ATOM 181 CB LYS A 80 5.606 8.982 -13.473 1.00 0.00 C ATOM 182 CG LYS A 80 6.868 9.762 -13.801 1.00 0.00 C ATOM 183 CD LYS A 80 7.086 9.864 -15.301 1.00 0.00 C ATOM 184 CE LYS A 80 7.720 8.599 -15.859 1.00 0.00 C ATOM 185 NZ LYS A 80 7.661 8.560 -17.347 1.00 0.00 N ATOM 0 H LYS A 80 7.116 7.085 -12.860 1.00 0.00 H new ATOM 0 HA LYS A 80 6.072 9.037 -11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.465 8.203 -14.222 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.748 9.650 -13.543 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.800 10.762 -13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.728 9.276 -13.340 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.132 10.044 -15.797 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.725 10.720 -15.520 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.759 8.540 -15.535 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.209 7.726 -15.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.103 7.683 -17.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.668 8.591 -17.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.170 9.379 -17.736 1.00 0.00 H new ATOM 199 N ALA A 81 3.686 8.855 -10.722 1.00 0.00 N ATOM 200 CA ALA A 81 2.333 8.675 -10.210 1.00 0.00 C ATOM 201 C ALA A 81 1.328 9.490 -11.017 1.00 0.00 C ATOM 202 O ALA A 81 1.647 10.571 -11.513 1.00 0.00 O ATOM 203 CB ALA A 81 2.269 9.061 -8.740 1.00 0.00 C ATOM 0 H ALA A 81 4.185 9.651 -10.324 1.00 0.00 H new ATOM 0 HA ALA A 81 2.071 7.622 -10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.253 8.922 -8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.952 8.432 -8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.556 10.106 -8.625 1.00 0.00 H new ATOM 209 N SER A 82 0.114 8.964 -11.146 1.00 0.00 N ATOM 210 CA SER A 82 -0.936 9.642 -11.897 1.00 0.00 C ATOM 211 C SER A 82 -1.538 10.783 -11.082 1.00 0.00 C ATOM 212 O SER A 82 -1.985 11.786 -11.635 1.00 0.00 O ATOM 213 CB SER A 82 -2.031 8.649 -12.291 1.00 0.00 C ATOM 214 OG SER A 82 -2.901 9.207 -13.261 1.00 0.00 O ATOM 0 H SER A 82 -0.167 8.071 -10.740 1.00 0.00 H new ATOM 0 HA SER A 82 -0.491 10.060 -12.800 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.577 7.740 -12.685 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.602 8.363 -11.408 1.00 0.00 H new ATOM 0 HG SER A 82 -3.591 8.552 -13.497 1.00 0.00 H new ATOM 220 N GLY A 83 -1.544 10.620 -9.762 1.00 0.00 N ATOM 221 CA GLY A 83 -2.092 11.643 -8.891 1.00 0.00 C ATOM 222 C GLY A 83 -2.541 11.086 -7.555 1.00 0.00 C ATOM 223 O GLY A 83 -2.199 9.959 -7.197 1.00 0.00 O ATOM 0 H GLY A 83 -1.179 9.798 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.341 12.415 -8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.938 12.121 -9.385 1.00 0.00 H new ATOM 227 N PHE A 84 -3.307 11.879 -6.813 1.00 0.00 N ATOM 228 CA PHE A 84 -3.802 11.460 -5.506 1.00 0.00 C ATOM 229 C PHE A 84 -4.795 10.310 -5.644 1.00 0.00 C ATOM 230 O PHE A 84 -5.849 10.456 -6.263 1.00 0.00 O ATOM 231 CB PHE A 84 -4.463 12.637 -4.787 1.00 0.00 C ATOM 232 CG PHE A 84 -4.336 12.573 -3.291 1.00 0.00 C ATOM 233 CD1 PHE A 84 -3.091 12.625 -2.686 1.00 0.00 C ATOM 234 CD2 PHE A 84 -5.462 12.463 -2.491 1.00 0.00 C ATOM 235 CE1 PHE A 84 -2.971 12.566 -1.310 1.00 0.00 C ATOM 236 CE2 PHE A 84 -5.348 12.403 -1.115 1.00 0.00 C ATOM 237 CZ PHE A 84 -4.101 12.456 -0.524 1.00 0.00 C ATOM 0 H PHE A 84 -3.599 12.815 -7.094 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.953 11.114 -4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.017 13.566 -5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.520 12.668 -5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.204 12.713 -3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.440 12.424 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.995 12.606 -0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.233 12.315 -0.503 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.010 12.411 0.551 1.00 0.00 H new ATOM 247 N HIS A 85 -4.450 9.166 -5.062 1.00 0.00 N ATOM 248 CA HIS A 85 -5.311 7.989 -5.119 1.00 0.00 C ATOM 249 C HIS A 85 -5.322 7.259 -3.779 1.00 0.00 C ATOM 250 O HIS A 85 -4.321 6.666 -3.376 1.00 0.00 O ATOM 251 CB HIS A 85 -4.844 7.043 -6.225 1.00 0.00 C ATOM 252 CG HIS A 85 -4.869 7.658 -7.590 1.00 0.00 C ATOM 253 ND1 HIS A 85 -5.914 8.435 -8.046 1.00 0.00 N ATOM 254 CD2 HIS A 85 -3.969 7.609 -8.600 1.00 0.00 C ATOM 255 CE1 HIS A 85 -5.656 8.835 -9.278 1.00 0.00 C ATOM 256 NE2 HIS A 85 -4.482 8.349 -9.638 1.00 0.00 N ATOM 0 H HIS A 85 -3.581 9.028 -4.546 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.325 8.321 -5.340 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.830 6.711 -6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.477 6.156 -6.224 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -6.754 8.665 -7.515 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.024 7.086 -8.592 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.297 9.455 -9.888 1.00 0.00 H new ATOM 264 N TYR A 86 -6.459 7.308 -3.094 1.00 0.00 N ATOM 265 CA TYR A 86 -6.599 6.654 -1.798 1.00 0.00 C ATOM 266 C TYR A 86 -5.656 7.272 -0.771 1.00 0.00 C ATOM 267 O TYR A 86 -5.182 6.595 0.140 1.00 0.00 O ATOM 268 CB TYR A 86 -6.319 5.155 -1.927 1.00 0.00 C ATOM 269 CG TYR A 86 -7.152 4.473 -2.989 1.00 0.00 C ATOM 270 CD1 TYR A 86 -8.435 4.020 -2.708 1.00 0.00 C ATOM 271 CD2 TYR A 86 -6.655 4.279 -4.271 1.00 0.00 C ATOM 272 CE1 TYR A 86 -9.200 3.395 -3.674 1.00 0.00 C ATOM 273 CE2 TYR A 86 -7.413 3.657 -5.244 1.00 0.00 C ATOM 274 CZ TYR A 86 -8.684 3.216 -4.941 1.00 0.00 C ATOM 275 OH TYR A 86 -9.441 2.595 -5.907 1.00 0.00 O ATOM 0 H TYR A 86 -7.297 7.794 -3.414 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.624 6.798 -1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.263 5.009 -2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.506 4.675 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.841 4.159 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.659 4.620 -4.511 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -10.196 3.049 -3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.012 3.517 -6.237 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.931 2.550 -6.743 1.00 0.00 H new ATOM 285 N GLY A 87 -5.389 8.566 -0.925 1.00 0.00 N ATOM 286 CA GLY A 87 -4.505 9.256 -0.005 1.00 0.00 C ATOM 287 C GLY A 87 -3.053 9.188 -0.435 1.00 0.00 C ATOM 288 O GLY A 87 -2.309 10.158 -0.289 1.00 0.00 O ATOM 0 H GLY A 87 -5.770 9.148 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.809 10.300 0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.607 8.820 0.989 1.00 0.00 H new ATOM 292 N VAL A 88 -2.647 8.039 -0.965 1.00 0.00 N ATOM 293 CA VAL A 88 -1.274 7.848 -1.417 1.00 0.00 C ATOM 294 C VAL A 88 -1.160 8.042 -2.925 1.00 0.00 C ATOM 295 O VAL A 88 -1.991 7.551 -3.690 1.00 0.00 O ATOM 296 CB VAL A 88 -0.753 6.446 -1.051 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.610 5.370 -1.700 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.705 6.296 -1.460 1.00 0.00 C ATOM 0 H VAL A 88 -3.250 7.226 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.667 8.598 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.818 6.325 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.226 4.386 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.639 5.466 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.580 5.486 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.057 5.299 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.797 6.438 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.307 7.043 -0.943 1.00 0.00 H new ATOM 308 N HIS A 89 -0.126 8.762 -3.347 1.00 0.00 N ATOM 309 CA HIS A 89 0.099 9.021 -4.765 1.00 0.00 C ATOM 310 C HIS A 89 0.603 7.768 -5.473 1.00 0.00 C ATOM 311 O HIS A 89 1.807 7.518 -5.531 1.00 0.00 O ATOM 312 CB HIS A 89 1.102 10.161 -4.944 1.00 0.00 C ATOM 313 CG HIS A 89 0.524 11.516 -4.673 1.00 0.00 C ATOM 314 ND1 HIS A 89 0.690 12.179 -3.475 1.00 0.00 N ATOM 315 CD2 HIS A 89 -0.221 12.333 -5.454 1.00 0.00 C ATOM 316 CE1 HIS A 89 0.071 13.345 -3.531 1.00 0.00 C ATOM 317 NE2 HIS A 89 -0.489 13.463 -4.721 1.00 0.00 N ATOM 0 H HIS A 89 0.570 9.177 -2.727 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.852 9.311 -5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.949 9.997 -4.278 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.489 10.137 -5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.544 12.133 -6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.030 14.077 -2.738 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -1.033 14.264 -5.044 1.00 0.00 H new ATOM 325 N ALA A 90 -0.326 6.982 -6.009 1.00 0.00 N ATOM 326 CA ALA A 90 0.025 5.756 -6.714 1.00 0.00 C ATOM 327 C ALA A 90 -0.125 5.927 -8.221 1.00 0.00 C ATOM 328 O ALA A 90 -0.777 6.861 -8.689 1.00 0.00 O ATOM 329 CB ALA A 90 -0.836 4.601 -6.223 1.00 0.00 C ATOM 0 H ALA A 90 -1.327 7.173 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 90 1.071 5.531 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.564 3.691 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.675 4.456 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.887 4.828 -6.404 1.00 0.00 H new ATOM 335 N CYS A 91 0.483 5.020 -8.979 1.00 0.00 N ATOM 336 CA CYS A 91 0.419 5.071 -10.434 1.00 0.00 C ATOM 337 C CYS A 91 -0.739 4.225 -10.957 1.00 0.00 C ATOM 338 O CYS A 91 -1.396 3.516 -10.196 1.00 0.00 O ATOM 339 CB CYS A 91 1.736 4.584 -11.041 1.00 0.00 C ATOM 340 SG CYS A 91 2.053 2.806 -10.801 1.00 0.00 S ATOM 0 H CYS A 91 1.026 4.240 -8.608 1.00 0.00 H new ATOM 0 HA CYS A 91 0.252 6.107 -10.730 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.733 4.801 -12.109 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.557 5.151 -10.603 1.00 0.00 H new ATOM 0 HG CYS A 91 3.253 2.639 -10.329 1.00 0.00 H new ATOM 345 N GLU A 92 -0.981 4.305 -12.262 1.00 0.00 N ATOM 346 CA GLU A 92 -2.059 3.548 -12.886 1.00 0.00 C ATOM 347 C GLU A 92 -1.910 2.056 -12.603 1.00 0.00 C ATOM 348 O GLU A 92 -2.855 1.398 -12.170 1.00 0.00 O ATOM 349 CB GLU A 92 -2.076 3.792 -14.397 1.00 0.00 C ATOM 350 CG GLU A 92 -2.283 5.249 -14.775 1.00 0.00 C ATOM 351 CD GLU A 92 -3.709 5.714 -14.548 1.00 0.00 C ATOM 352 OE1 GLU A 92 -4.153 5.712 -13.381 1.00 0.00 O ATOM 353 OE2 GLU A 92 -4.379 6.079 -15.536 1.00 0.00 O ATOM 0 H GLU A 92 -0.445 4.886 -12.907 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.002 3.889 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.135 3.445 -14.823 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.869 3.193 -14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.605 5.872 -14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.022 5.389 -15.824 1.00 0.00 H new ATOM 360 N GLY A 93 -0.715 1.528 -12.852 1.00 0.00 N ATOM 361 CA GLY A 93 -0.464 0.118 -12.618 1.00 0.00 C ATOM 362 C GLY A 93 -0.832 -0.312 -11.212 1.00 0.00 C ATOM 363 O GLY A 93 -1.805 -1.040 -11.012 1.00 0.00 O ATOM 0 H GLY A 93 0.083 2.052 -13.211 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.033 -0.473 -13.336 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.590 -0.094 -12.795 1.00 0.00 H new ATOM 367 N CYS A 94 -0.052 0.137 -10.235 1.00 0.00 N ATOM 368 CA CYS A 94 -0.300 -0.207 -8.840 1.00 0.00 C ATOM 369 C CYS A 94 -1.771 -0.016 -8.485 1.00 0.00 C ATOM 370 O CYS A 94 -2.463 -0.967 -8.122 1.00 0.00 O ATOM 371 CB CYS A 94 0.573 0.649 -7.919 1.00 0.00 C ATOM 372 SG CYS A 94 2.362 0.359 -8.110 1.00 0.00 S ATOM 0 H CYS A 94 0.757 0.740 -10.383 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.044 -1.257 -8.700 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.364 1.701 -8.112 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.292 0.453 -6.884 1.00 0.00 H new ATOM 0 HG CYS A 94 2.831 1.139 -9.038 1.00 0.00 H new ATOM 377 N LYS A 95 -2.244 1.221 -8.593 1.00 0.00 N ATOM 378 CA LYS A 95 -3.634 1.539 -8.285 1.00 0.00 C ATOM 379 C LYS A 95 -4.562 0.419 -8.744 1.00 0.00 C ATOM 380 O LYS A 95 -5.321 -0.135 -7.950 1.00 0.00 O ATOM 381 CB LYS A 95 -4.037 2.856 -8.953 1.00 0.00 C ATOM 382 CG LYS A 95 -5.370 3.400 -8.470 1.00 0.00 C ATOM 383 CD LYS A 95 -5.708 4.723 -9.137 1.00 0.00 C ATOM 384 CE LYS A 95 -6.099 4.529 -10.594 1.00 0.00 C ATOM 385 NZ LYS A 95 -6.213 5.826 -11.315 1.00 0.00 N ATOM 0 H LYS A 95 -1.685 2.020 -8.892 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.726 1.644 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.262 3.600 -8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.084 2.707 -10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.157 2.675 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.339 3.534 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.526 5.204 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.850 5.392 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.357 3.903 -11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.050 3.999 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.189 5.952 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.965 6.604 -10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.564 5.829 -12.128 1.00 0.00 H new ATOM 399 N GLY A 96 -4.495 0.090 -10.030 1.00 0.00 N ATOM 400 CA GLY A 96 -5.334 -0.964 -10.571 1.00 0.00 C ATOM 401 C GLY A 96 -5.307 -2.219 -9.722 1.00 0.00 C ATOM 402 O GLY A 96 -6.355 -2.759 -9.365 1.00 0.00 O ATOM 0 H GLY A 96 -3.875 0.534 -10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.360 -0.604 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.003 -1.205 -11.581 1.00 0.00 H new ATOM 406 N PHE A 97 -4.106 -2.688 -9.399 1.00 0.00 N ATOM 407 CA PHE A 97 -3.947 -3.890 -8.589 1.00 0.00 C ATOM 408 C PHE A 97 -4.713 -3.766 -7.275 1.00 0.00 C ATOM 409 O PHE A 97 -5.557 -4.604 -6.954 1.00 0.00 O ATOM 410 CB PHE A 97 -2.465 -4.147 -8.306 1.00 0.00 C ATOM 411 CG PHE A 97 -2.226 -5.273 -7.340 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.220 -6.588 -7.777 1.00 0.00 C ATOM 413 CD2 PHE A 97 -2.008 -5.015 -5.997 1.00 0.00 C ATOM 414 CE1 PHE A 97 -2.001 -7.625 -6.890 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.788 -6.049 -5.105 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.783 -7.355 -5.553 1.00 0.00 C ATOM 0 H PHE A 97 -3.229 -2.254 -9.686 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.355 -4.732 -9.149 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.957 -4.370 -9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.016 -3.237 -7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.388 -6.805 -8.822 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.010 -3.995 -5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.000 -8.646 -7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.620 -5.835 -4.060 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.609 -8.164 -4.859 1.00 0.00 H new ATOM 426 N PHE A 98 -4.413 -2.716 -6.519 1.00 0.00 N ATOM 427 CA PHE A 98 -5.072 -2.482 -5.239 1.00 0.00 C ATOM 428 C PHE A 98 -6.587 -2.598 -5.378 1.00 0.00 C ATOM 429 O PHE A 98 -7.192 -3.558 -4.901 1.00 0.00 O ATOM 430 CB PHE A 98 -4.703 -1.099 -4.697 1.00 0.00 C ATOM 431 CG PHE A 98 -5.299 -0.805 -3.350 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.776 -1.384 -2.205 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.383 0.049 -3.229 1.00 0.00 C ATOM 434 CE1 PHE A 98 -5.322 -1.115 -0.964 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.933 0.322 -1.991 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.403 -0.262 -0.857 1.00 0.00 C ATOM 0 H PHE A 98 -3.718 -2.013 -6.770 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.730 -3.243 -4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.618 -1.021 -4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.034 -0.340 -5.406 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.932 -2.053 -2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.803 0.507 -4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.904 -1.571 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.777 0.991 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.833 -0.052 0.111 1.00 0.00 H new ATOM 446 N ARG A 99 -7.192 -1.614 -6.034 1.00 0.00 N ATOM 447 CA ARG A 99 -8.637 -1.604 -6.234 1.00 0.00 C ATOM 448 C ARG A 99 -9.147 -3.000 -6.579 1.00 0.00 C ATOM 449 O ARG A 99 -10.113 -3.482 -5.987 1.00 0.00 O ATOM 450 CB ARG A 99 -9.012 -0.623 -7.346 1.00 0.00 C ATOM 451 CG ARG A 99 -10.481 -0.673 -7.732 1.00 0.00 C ATOM 452 CD ARG A 99 -10.857 0.484 -8.644 1.00 0.00 C ATOM 453 NE ARG A 99 -11.244 1.673 -7.889 1.00 0.00 N ATOM 454 CZ ARG A 99 -11.361 2.881 -8.429 1.00 0.00 C ATOM 455 NH1 ARG A 99 -11.123 3.059 -9.721 1.00 0.00 N ATOM 456 NH2 ARG A 99 -11.717 3.914 -7.677 1.00 0.00 N ATOM 0 H ARG A 99 -6.705 -0.813 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.106 -1.284 -5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.763 0.389 -7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.406 -0.836 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.695 -1.617 -8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.096 -0.643 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.013 0.724 -9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.680 0.182 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.435 1.570 -6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.849 2.267 -10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.214 3.988 -10.133 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.901 3.781 -6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.806 4.841 -8.093 1.00 0.00 H new ATOM 470 N ARG A 100 -8.492 -3.643 -7.540 1.00 0.00 N ATOM 471 CA ARG A 100 -8.880 -4.983 -7.965 1.00 0.00 C ATOM 472 C ARG A 100 -8.955 -5.931 -6.772 1.00 0.00 C ATOM 473 O ARG A 100 -9.954 -6.625 -6.578 1.00 0.00 O ATOM 474 CB ARG A 100 -7.887 -5.522 -8.996 1.00 0.00 C ATOM 475 CG ARG A 100 -8.153 -6.962 -9.403 1.00 0.00 C ATOM 476 CD ARG A 100 -7.608 -7.258 -10.792 1.00 0.00 C ATOM 477 NE ARG A 100 -7.493 -8.692 -11.040 1.00 0.00 N ATOM 478 CZ ARG A 100 -6.576 -9.466 -10.471 1.00 0.00 C ATOM 479 NH1 ARG A 100 -5.698 -8.945 -9.624 1.00 0.00 N ATOM 480 NH2 ARG A 100 -6.535 -10.763 -10.747 1.00 0.00 N ATOM 0 H ARG A 100 -7.690 -3.258 -8.039 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.868 -4.920 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.919 -4.891 -9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.878 -5.449 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.694 -7.636 -8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.226 -7.155 -9.383 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.262 -6.812 -11.541 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.630 -6.791 -10.905 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.154 -9.124 -11.686 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.726 -7.948 -9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.994 -9.541 -9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.209 -11.168 -11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.830 -11.356 -10.309 1.00 0.00 H new ATOM 494 N THR A 101 -7.892 -5.957 -5.975 1.00 0.00 N ATOM 495 CA THR A 101 -7.836 -6.821 -4.802 1.00 0.00 C ATOM 496 C THR A 101 -8.994 -6.534 -3.853 1.00 0.00 C ATOM 497 O THR A 101 -9.412 -7.404 -3.089 1.00 0.00 O ATOM 498 CB THR A 101 -6.508 -6.650 -4.041 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.406 -6.950 -4.904 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.464 -7.556 -2.820 1.00 0.00 C ATOM 0 H THR A 101 -7.057 -5.389 -6.120 1.00 0.00 H new ATOM 0 HA THR A 101 -7.910 -7.847 -5.161 1.00 0.00 H new ATOM 0 HB THR A 101 -6.436 -5.614 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.337 -6.262 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.517 -7.418 -2.298 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.287 -7.305 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.557 -8.595 -3.135 1.00 0.00 H new ATOM 508 N ILE A 102 -9.507 -5.310 -3.906 1.00 0.00 N ATOM 509 CA ILE A 102 -10.618 -4.910 -3.051 1.00 0.00 C ATOM 510 C ILE A 102 -11.955 -5.315 -3.662 1.00 0.00 C ATOM 511 O ILE A 102 -12.671 -6.154 -3.114 1.00 0.00 O ATOM 512 CB ILE A 102 -10.619 -3.390 -2.804 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.248 -2.931 -2.304 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.705 -3.016 -1.805 1.00 0.00 C ATOM 515 CD1 ILE A 102 -8.884 -3.485 -0.944 1.00 0.00 C ATOM 0 H ILE A 102 -9.171 -4.578 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.485 -5.425 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.829 -2.884 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.488 -3.232 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.232 -1.842 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.693 -1.938 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.678 -3.312 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.523 -3.529 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.900 -3.118 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.623 -3.163 -0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.867 -4.574 -0.987 1.00 0.00 H new ATOM 527 N ARG A 103 -12.285 -4.716 -4.802 1.00 0.00 N ATOM 528 CA ARG A 103 -13.536 -5.015 -5.488 1.00 0.00 C ATOM 529 C ARG A 103 -13.720 -6.521 -5.651 1.00 0.00 C ATOM 530 O ARG A 103 -14.839 -7.030 -5.584 1.00 0.00 O ATOM 531 CB ARG A 103 -13.566 -4.335 -6.858 1.00 0.00 C ATOM 532 CG ARG A 103 -12.762 -5.069 -7.919 1.00 0.00 C ATOM 533 CD ARG A 103 -12.905 -4.409 -9.282 1.00 0.00 C ATOM 534 NE ARG A 103 -14.126 -4.824 -9.966 1.00 0.00 N ATOM 535 CZ ARG A 103 -14.287 -4.764 -11.284 1.00 0.00 C ATOM 536 NH1 ARG A 103 -13.309 -4.308 -12.054 1.00 0.00 N ATOM 537 NH2 ARG A 103 -15.428 -5.160 -11.832 1.00 0.00 N ATOM 0 H ARG A 103 -11.703 -4.021 -5.270 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.355 -4.630 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.601 -4.252 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.181 -3.320 -6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.711 -5.089 -7.632 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -13.096 -6.105 -7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.907 -3.326 -9.162 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.041 -4.659 -9.898 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.898 -5.179 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.431 -4.002 -11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.435 -4.263 -13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.182 -5.511 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.551 -5.114 -12.843 1.00 0.00 H new ATOM 551 N MET A 104 -12.615 -7.227 -5.865 1.00 0.00 N ATOM 552 CA MET A 104 -12.655 -8.675 -6.037 1.00 0.00 C ATOM 553 C MET A 104 -12.503 -9.386 -4.696 1.00 0.00 C ATOM 554 O MET A 104 -12.843 -10.561 -4.563 1.00 0.00 O ATOM 555 CB MET A 104 -11.552 -9.127 -6.995 1.00 0.00 C ATOM 556 CG MET A 104 -11.677 -8.533 -8.389 1.00 0.00 C ATOM 557 SD MET A 104 -10.810 -9.504 -9.638 1.00 0.00 S ATOM 558 CE MET A 104 -12.185 -10.320 -10.446 1.00 0.00 C ATOM 0 H MET A 104 -11.681 -6.821 -5.924 1.00 0.00 H new ATOM 0 HA MET A 104 -13.624 -8.939 -6.460 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.584 -8.852 -6.577 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.570 -10.214 -7.069 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.731 -8.462 -8.656 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.281 -7.518 -8.384 1.00 0.00 H new ATOM 0 HE1 MET A 104 -11.810 -10.959 -11.245 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.726 -10.927 -9.720 1.00 0.00 H new ATOM 0 HE3 MET A 104 -12.857 -9.571 -10.865 1.00 0.00 H new ATOM 568 N LYS A 105 -11.990 -8.665 -3.704 1.00 0.00 N ATOM 569 CA LYS A 105 -11.794 -9.226 -2.373 1.00 0.00 C ATOM 570 C LYS A 105 -10.901 -10.462 -2.430 1.00 0.00 C ATOM 571 O LYS A 105 -11.171 -11.466 -1.770 1.00 0.00 O ATOM 572 CB LYS A 105 -13.142 -9.586 -1.745 1.00 0.00 C ATOM 573 CG LYS A 105 -14.131 -8.434 -1.726 1.00 0.00 C ATOM 574 CD LYS A 105 -15.552 -8.923 -1.498 1.00 0.00 C ATOM 575 CE LYS A 105 -16.554 -7.782 -1.580 1.00 0.00 C ATOM 576 NZ LYS A 105 -16.559 -7.143 -2.926 1.00 0.00 N ATOM 0 H LYS A 105 -11.703 -7.691 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.303 -8.473 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.579 -10.420 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.977 -9.929 -0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.857 -7.731 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.079 -7.893 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.801 -9.681 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.621 -9.400 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.552 -8.158 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.315 -7.034 -0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.410 -6.554 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.712 -6.548 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.558 -7.880 -3.660 1.00 0.00 H new ATOM 590 N LEU A 106 -9.836 -10.381 -3.219 1.00 0.00 N ATOM 591 CA LEU A 106 -8.902 -11.492 -3.360 1.00 0.00 C ATOM 592 C LEU A 106 -7.939 -11.548 -2.178 1.00 0.00 C ATOM 593 O LEU A 106 -7.521 -10.514 -1.658 1.00 0.00 O ATOM 594 CB LEU A 106 -8.116 -11.361 -4.667 1.00 0.00 C ATOM 595 CG LEU A 106 -8.951 -11.203 -5.938 1.00 0.00 C ATOM 596 CD1 LEU A 106 -8.075 -10.755 -7.099 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.660 -12.507 -6.276 1.00 0.00 C ATOM 0 H LEU A 106 -9.598 -9.557 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.478 -12.417 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.451 -10.501 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.485 -12.242 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.706 -10.437 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.686 -10.648 -7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.613 -9.798 -6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.298 -11.498 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.250 -12.376 -7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.921 -13.293 -6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.318 -12.787 -5.453 1.00 0.00 H new ATOM 609 N GLU A 107 -7.591 -12.761 -1.762 1.00 0.00 N ATOM 610 CA GLU A 107 -6.676 -12.951 -0.642 1.00 0.00 C ATOM 611 C GLU A 107 -5.312 -13.429 -1.130 1.00 0.00 C ATOM 612 O GLU A 107 -5.156 -13.823 -2.286 1.00 0.00 O ATOM 613 CB GLU A 107 -7.256 -13.957 0.354 1.00 0.00 C ATOM 614 CG GLU A 107 -8.293 -13.359 1.289 1.00 0.00 C ATOM 615 CD GLU A 107 -9.316 -14.378 1.754 1.00 0.00 C ATOM 616 OE1 GLU A 107 -9.951 -15.017 0.890 1.00 0.00 O ATOM 617 OE2 GLU A 107 -9.481 -14.536 2.982 1.00 0.00 O ATOM 0 H GLU A 107 -7.928 -13.627 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.548 -11.990 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.708 -14.781 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.444 -14.378 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.791 -12.932 2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.805 -12.541 0.782 1.00 0.00 H new ATOM 624 N TYR A 108 -4.326 -13.392 -0.240 1.00 0.00 N ATOM 625 CA TYR A 108 -2.974 -13.818 -0.579 1.00 0.00 C ATOM 626 C TYR A 108 -2.275 -14.429 0.632 1.00 0.00 C ATOM 627 O TYR A 108 -2.607 -14.118 1.775 1.00 0.00 O ATOM 628 CB TYR A 108 -2.160 -12.635 -1.107 1.00 0.00 C ATOM 629 CG TYR A 108 -2.566 -12.193 -2.495 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.402 -13.034 -3.589 1.00 0.00 C ATOM 631 CD2 TYR A 108 -3.115 -10.935 -2.712 1.00 0.00 C ATOM 632 CE1 TYR A 108 -2.771 -12.634 -4.859 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.488 -10.527 -3.978 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.313 -11.380 -5.048 1.00 0.00 C ATOM 635 OH TYR A 108 -3.683 -10.978 -6.312 1.00 0.00 O ATOM 0 H TYR A 108 -4.438 -13.071 0.722 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.045 -14.578 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.268 -11.795 -0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.104 -12.906 -1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.979 -14.017 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.252 -10.265 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.636 -13.299 -5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.914 -9.546 -4.129 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.048 -10.069 -6.273 1.00 0.00 H new ATOM 645 N GLU A 109 -1.306 -15.300 0.371 1.00 0.00 N ATOM 646 CA GLU A 109 -0.560 -15.956 1.439 1.00 0.00 C ATOM 647 C GLU A 109 0.516 -15.030 1.999 1.00 0.00 C ATOM 648 O GLU A 109 1.180 -14.308 1.254 1.00 0.00 O ATOM 649 CB GLU A 109 0.080 -17.248 0.926 1.00 0.00 C ATOM 650 CG GLU A 109 -0.846 -18.451 0.989 1.00 0.00 C ATOM 651 CD GLU A 109 -0.219 -19.700 0.400 1.00 0.00 C ATOM 652 OE1 GLU A 109 0.648 -20.300 1.070 1.00 0.00 O ATOM 653 OE2 GLU A 109 -0.594 -20.077 -0.729 1.00 0.00 O ATOM 0 H GLU A 109 -1.019 -15.568 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.259 -16.199 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.401 -17.100 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.975 -17.458 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.119 -18.641 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.768 -18.224 0.453 1.00 0.00 H new ATOM 660 N LYS A 110 0.682 -15.055 3.317 1.00 0.00 N ATOM 661 CA LYS A 110 1.677 -14.219 3.979 1.00 0.00 C ATOM 662 C LYS A 110 3.075 -14.507 3.440 1.00 0.00 C ATOM 663 O LYS A 110 3.606 -15.604 3.616 1.00 0.00 O ATOM 664 CB LYS A 110 1.645 -14.452 5.491 1.00 0.00 C ATOM 665 CG LYS A 110 2.653 -13.615 6.257 1.00 0.00 C ATOM 666 CD LYS A 110 2.414 -13.686 7.756 1.00 0.00 C ATOM 667 CE LYS A 110 2.928 -14.993 8.341 1.00 0.00 C ATOM 668 NZ LYS A 110 2.542 -15.151 9.770 1.00 0.00 N ATOM 0 H LYS A 110 0.140 -15.645 3.948 1.00 0.00 H new ATOM 0 HA LYS A 110 1.434 -13.177 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.645 -14.231 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.834 -15.507 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.661 -13.962 6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.592 -12.578 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.910 -12.847 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.348 -13.589 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 110 2.533 -15.829 7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.014 -15.028 8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.911 -16.054 10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.940 -14.367 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.505 -15.143 9.853 1.00 0.00 H new ATOM 682 N CYS A 111 3.667 -13.515 2.783 1.00 0.00 N ATOM 683 CA CYS A 111 5.003 -13.660 2.219 1.00 0.00 C ATOM 684 C CYS A 111 6.063 -13.153 3.193 1.00 0.00 C ATOM 685 O CYS A 111 6.356 -11.959 3.240 1.00 0.00 O ATOM 686 CB CYS A 111 5.107 -12.900 0.896 1.00 0.00 C ATOM 687 SG CYS A 111 6.711 -13.088 0.053 1.00 0.00 S ATOM 0 H CYS A 111 3.241 -12.601 2.628 1.00 0.00 H new ATOM 0 HA CYS A 111 5.179 -14.720 2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.316 -13.243 0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 111 4.929 -11.841 1.083 1.00 0.00 H new ATOM 0 HG CYS A 111 6.963 -12.020 -0.644 1.00 0.00 H new ATOM 692 N GLU A 112 6.633 -14.070 3.969 1.00 0.00 N ATOM 693 CA GLU A 112 7.659 -13.715 4.942 1.00 0.00 C ATOM 694 C GLU A 112 8.819 -12.985 4.269 1.00 0.00 C ATOM 695 O GLU A 112 9.299 -11.968 4.768 1.00 0.00 O ATOM 696 CB GLU A 112 8.175 -14.968 5.653 1.00 0.00 C ATOM 697 CG GLU A 112 7.105 -15.704 6.442 1.00 0.00 C ATOM 698 CD GLU A 112 6.319 -16.681 5.588 1.00 0.00 C ATOM 699 OE1 GLU A 112 6.929 -17.318 4.704 1.00 0.00 O ATOM 700 OE2 GLU A 112 5.096 -16.807 5.803 1.00 0.00 O ATOM 0 H GLU A 112 6.402 -15.063 3.943 1.00 0.00 H new ATOM 0 HA GLU A 112 7.210 -13.047 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.600 -15.646 4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.983 -14.686 6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 112 7.572 -16.242 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.420 -14.979 6.882 1.00 0.00 H new ATOM 707 N ARG A 113 9.263 -13.514 3.133 1.00 0.00 N ATOM 708 CA ARG A 113 10.366 -12.915 2.392 1.00 0.00 C ATOM 709 C ARG A 113 10.282 -11.392 2.428 1.00 0.00 C ATOM 710 O ARG A 113 11.301 -10.703 2.381 1.00 0.00 O ATOM 711 CB ARG A 113 10.359 -13.403 0.943 1.00 0.00 C ATOM 712 CG ARG A 113 10.747 -14.865 0.790 1.00 0.00 C ATOM 713 CD ARG A 113 10.268 -15.433 -0.537 1.00 0.00 C ATOM 714 NE ARG A 113 11.002 -16.638 -0.914 1.00 0.00 N ATOM 715 CZ ARG A 113 12.206 -16.618 -1.475 1.00 0.00 C ATOM 716 NH1 ARG A 113 12.808 -15.463 -1.722 1.00 0.00 N ATOM 717 NH2 ARG A 113 12.811 -17.757 -1.790 1.00 0.00 N ATOM 0 H ARG A 113 8.876 -14.356 2.706 1.00 0.00 H new ATOM 0 HA ARG A 113 11.298 -13.221 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.364 -13.254 0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.046 -12.791 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.830 -14.964 0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.321 -15.443 1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 113 9.205 -15.662 -0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 113 10.383 -14.680 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 113 10.567 -17.543 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.347 -14.586 -1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 113 13.732 -15.452 -2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 113 12.351 -18.648 -1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.735 -17.741 -2.221 1.00 0.00 H new ATOM 731 N SER A 114 9.061 -10.874 2.511 1.00 0.00 N ATOM 732 CA SER A 114 8.843 -9.432 2.549 1.00 0.00 C ATOM 733 C SER A 114 9.507 -8.751 1.356 1.00 0.00 C ATOM 734 O SER A 114 10.247 -7.780 1.513 1.00 0.00 O ATOM 735 CB SER A 114 9.388 -8.847 3.853 1.00 0.00 C ATOM 736 OG SER A 114 8.589 -9.232 4.958 1.00 0.00 O ATOM 0 H SER A 114 8.207 -11.431 2.553 1.00 0.00 H new ATOM 0 HA SER A 114 7.770 -9.250 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.413 -9.185 4.006 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.418 -7.760 3.783 1.00 0.00 H new ATOM 0 HG SER A 114 8.671 -10.198 5.100 1.00 0.00 H new ATOM 742 N CYS A 115 9.238 -9.269 0.162 1.00 0.00 N ATOM 743 CA CYS A 115 9.808 -8.713 -1.059 1.00 0.00 C ATOM 744 C CYS A 115 9.702 -7.191 -1.065 1.00 0.00 C ATOM 745 O CYS A 115 9.027 -6.601 -0.222 1.00 0.00 O ATOM 746 CB CYS A 115 9.099 -9.290 -2.286 1.00 0.00 C ATOM 747 SG CYS A 115 8.782 -11.081 -2.188 1.00 0.00 S ATOM 0 H CYS A 115 8.628 -10.073 0.014 1.00 0.00 H new ATOM 0 HA CYS A 115 10.863 -8.986 -1.095 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.150 -8.771 -2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.703 -9.087 -3.170 1.00 0.00 H new ATOM 0 HG CYS A 115 7.519 -11.310 -2.396 1.00 0.00 H new ATOM 752 N LYS A 116 10.374 -6.561 -2.023 1.00 0.00 N ATOM 753 CA LYS A 116 10.355 -5.107 -2.141 1.00 0.00 C ATOM 754 C LYS A 116 9.818 -4.680 -3.504 1.00 0.00 C ATOM 755 O LYS A 116 10.482 -4.855 -4.526 1.00 0.00 O ATOM 756 CB LYS A 116 11.762 -4.540 -1.935 1.00 0.00 C ATOM 757 CG LYS A 116 11.784 -3.040 -1.698 1.00 0.00 C ATOM 758 CD LYS A 116 13.192 -2.479 -1.805 1.00 0.00 C ATOM 759 CE LYS A 116 13.205 -0.968 -1.629 1.00 0.00 C ATOM 760 NZ LYS A 116 14.445 -0.356 -2.182 1.00 0.00 N ATOM 0 H LYS A 116 10.938 -7.034 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 116 9.694 -4.712 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.226 -5.041 -1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.369 -4.770 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.139 -2.546 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.378 -2.821 -0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 116 13.827 -2.940 -1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.615 -2.737 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.335 -0.537 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.121 -0.725 -0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.416 0.674 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.274 -0.748 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.512 -0.566 -3.198 1.00 0.00 H new ATOM 774 N ILE A 117 8.615 -4.117 -3.510 1.00 0.00 N ATOM 775 CA ILE A 117 7.991 -3.662 -4.746 1.00 0.00 C ATOM 776 C ILE A 117 8.804 -2.547 -5.394 1.00 0.00 C ATOM 777 O ILE A 117 8.888 -1.439 -4.864 1.00 0.00 O ATOM 778 CB ILE A 117 6.556 -3.160 -4.501 1.00 0.00 C ATOM 779 CG1 ILE A 117 5.737 -4.227 -3.772 1.00 0.00 C ATOM 780 CG2 ILE A 117 5.894 -2.785 -5.819 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.439 -5.444 -4.619 1.00 0.00 C ATOM 0 H ILE A 117 8.053 -3.965 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 117 7.957 -4.521 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 117 6.600 -2.270 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.277 -4.540 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.797 -3.787 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.880 -2.432 -5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.469 -1.995 -6.303 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.858 -3.659 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 117 4.856 -6.158 -4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.872 -5.144 -5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.375 -5.908 -4.931 1.00 0.00 H new ATOM 793 N GLN A 118 9.400 -2.847 -6.544 1.00 0.00 N ATOM 794 CA GLN A 118 10.205 -1.868 -7.265 1.00 0.00 C ATOM 795 C GLN A 118 9.727 -1.725 -8.706 1.00 0.00 C ATOM 796 O GLN A 118 9.035 -2.597 -9.232 1.00 0.00 O ATOM 797 CB GLN A 118 11.680 -2.275 -7.243 1.00 0.00 C ATOM 798 CG GLN A 118 12.628 -1.146 -7.615 1.00 0.00 C ATOM 799 CD GLN A 118 12.395 0.106 -6.793 1.00 0.00 C ATOM 800 OE1 GLN A 118 11.615 0.978 -7.176 1.00 0.00 O ATOM 801 NE2 GLN A 118 13.073 0.203 -5.655 1.00 0.00 N ATOM 0 H GLN A 118 9.341 -3.759 -6.996 1.00 0.00 H new ATOM 0 HA GLN A 118 10.093 -0.905 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.933 -2.638 -6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.829 -3.106 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 118 13.656 -1.480 -7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.508 -0.909 -8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 118 13.709 -0.543 -5.375 1.00 0.00 H new ATOM 0 HE22 GLN A 118 12.957 1.024 -5.061 1.00 0.00 H new ATOM 810 N LYS A 119 10.099 -0.618 -9.340 1.00 0.00 N ATOM 811 CA LYS A 119 9.710 -0.359 -10.721 1.00 0.00 C ATOM 812 C LYS A 119 10.227 -1.455 -11.647 1.00 0.00 C ATOM 813 O LYS A 119 9.457 -2.084 -12.373 1.00 0.00 O ATOM 814 CB LYS A 119 10.242 1.001 -11.176 1.00 0.00 C ATOM 815 CG LYS A 119 11.745 1.150 -11.020 1.00 0.00 C ATOM 816 CD LYS A 119 12.147 2.604 -10.844 1.00 0.00 C ATOM 817 CE LYS A 119 13.579 2.731 -10.347 1.00 0.00 C ATOM 818 NZ LYS A 119 14.554 2.785 -11.471 1.00 0.00 N ATOM 0 H LYS A 119 10.670 0.115 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 119 8.621 -0.351 -10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.977 1.154 -12.222 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.746 1.785 -10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.081 0.572 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.245 0.737 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.043 3.129 -11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.472 3.086 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.674 3.632 -9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.816 1.885 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 15.518 2.872 -11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.481 1.915 -12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.344 3.607 -12.073 1.00 0.00 H new ATOM 832 N LYS A 120 11.536 -1.681 -11.615 1.00 0.00 N ATOM 833 CA LYS A 120 12.157 -2.703 -12.449 1.00 0.00 C ATOM 834 C LYS A 120 11.399 -4.022 -12.349 1.00 0.00 C ATOM 835 O LYS A 120 11.215 -4.721 -13.345 1.00 0.00 O ATOM 836 CB LYS A 120 13.617 -2.909 -12.037 1.00 0.00 C ATOM 837 CG LYS A 120 13.791 -3.254 -10.569 1.00 0.00 C ATOM 838 CD LYS A 120 15.169 -3.831 -10.291 1.00 0.00 C ATOM 839 CE LYS A 120 16.180 -2.738 -9.983 1.00 0.00 C ATOM 840 NZ LYS A 120 16.858 -2.246 -11.215 1.00 0.00 N ATOM 0 H LYS A 120 12.188 -1.170 -11.020 1.00 0.00 H new ATOM 0 HA LYS A 120 12.122 -2.362 -13.484 1.00 0.00 H new ATOM 0 HB2 LYS A 120 14.048 -3.706 -12.643 1.00 0.00 H new ATOM 0 HB3 LYS A 120 14.180 -2.002 -12.258 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.641 -2.360 -9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.028 -3.973 -10.270 1.00 0.00 H new ATOM 0 HD2 LYS A 120 15.112 -4.522 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.505 -4.406 -11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.677 -1.907 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.926 -3.119 -9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.873 -2.465 -11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 16.445 -2.712 -12.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 16.730 -1.217 -11.295 1.00 0.00 H new ATOM 854 N ASN A 121 10.958 -4.356 -11.140 1.00 0.00 N ATOM 855 CA ASN A 121 10.218 -5.591 -10.910 1.00 0.00 C ATOM 856 C ASN A 121 8.969 -5.329 -10.074 1.00 0.00 C ATOM 857 O ASN A 121 8.985 -5.477 -8.852 1.00 0.00 O ATOM 858 CB ASN A 121 11.108 -6.620 -10.209 1.00 0.00 C ATOM 859 CG ASN A 121 11.931 -7.435 -11.188 1.00 0.00 C ATOM 860 OD1 ASN A 121 11.391 -8.217 -11.970 1.00 0.00 O ATOM 861 ND2 ASN A 121 13.246 -7.254 -11.149 1.00 0.00 N ATOM 0 H ASN A 121 11.101 -3.788 -10.305 1.00 0.00 H new ATOM 0 HA ASN A 121 9.909 -5.986 -11.878 1.00 0.00 H new ATOM 0 HB2 ASN A 121 11.775 -6.107 -9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.486 -7.290 -9.615 1.00 0.00 H new ATOM 0 HD21 ASN A 121 13.851 -7.774 -11.784 1.00 0.00 H new ATOM 0 HD22 ASN A 121 13.651 -6.595 -10.484 1.00 0.00 H new ATOM 868 N ARG A 122 7.888 -4.941 -10.742 1.00 0.00 N ATOM 869 CA ARG A 122 6.630 -4.658 -10.062 1.00 0.00 C ATOM 870 C ARG A 122 5.777 -5.919 -9.950 1.00 0.00 C ATOM 871 O ARG A 122 5.305 -6.267 -8.869 1.00 0.00 O ATOM 872 CB ARG A 122 5.856 -3.570 -10.807 1.00 0.00 C ATOM 873 CG ARG A 122 6.446 -2.179 -10.639 1.00 0.00 C ATOM 874 CD ARG A 122 5.827 -1.190 -11.614 1.00 0.00 C ATOM 875 NE ARG A 122 6.454 -1.255 -12.932 1.00 0.00 N ATOM 876 CZ ARG A 122 6.025 -2.044 -13.911 1.00 0.00 C ATOM 877 NH1 ARG A 122 4.974 -2.829 -13.722 1.00 0.00 N ATOM 878 NH2 ARG A 122 6.648 -2.048 -15.083 1.00 0.00 N ATOM 0 H ARG A 122 7.858 -4.815 -11.754 1.00 0.00 H new ATOM 0 HA ARG A 122 6.861 -4.306 -9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.828 -3.818 -11.868 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.825 -3.563 -10.454 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.284 -1.835 -9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.524 -2.219 -10.795 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.761 -1.394 -11.709 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.924 -0.180 -11.216 1.00 0.00 H new ATOM 0 HE ARG A 122 7.265 -0.663 -13.110 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.492 -2.828 -12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.647 -3.434 -14.476 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.457 -1.445 -15.233 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.318 -2.654 -15.834 1.00 0.00 H new ATOM 892 N ASN A 123 5.583 -6.597 -11.077 1.00 0.00 N ATOM 893 CA ASN A 123 4.786 -7.818 -11.106 1.00 0.00 C ATOM 894 C ASN A 123 5.598 -9.010 -10.609 1.00 0.00 C ATOM 895 O ASN A 123 5.634 -10.061 -11.249 1.00 0.00 O ATOM 896 CB ASN A 123 4.279 -8.087 -12.524 1.00 0.00 C ATOM 897 CG ASN A 123 2.967 -8.848 -12.535 1.00 0.00 C ATOM 898 OD1 ASN A 123 2.069 -8.570 -11.739 1.00 0.00 O ATOM 899 ND2 ASN A 123 2.850 -9.814 -13.438 1.00 0.00 N ATOM 0 H ASN A 123 5.966 -6.322 -11.981 1.00 0.00 H new ATOM 0 HA ASN A 123 3.932 -7.681 -10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.150 -7.139 -13.047 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.030 -8.655 -13.074 1.00 0.00 H new ATOM 0 HD21 ASN A 123 1.990 -10.360 -13.492 1.00 0.00 H new ATOM 0 HD22 ASN A 123 3.620 -10.010 -14.078 1.00 0.00 H new ATOM 906 N LYS A 124 6.249 -8.839 -9.464 1.00 0.00 N ATOM 907 CA LYS A 124 7.060 -9.901 -8.878 1.00 0.00 C ATOM 908 C LYS A 124 6.269 -10.673 -7.827 1.00 0.00 C ATOM 909 O LYS A 124 5.995 -11.862 -7.991 1.00 0.00 O ATOM 910 CB LYS A 124 8.327 -9.315 -8.251 1.00 0.00 C ATOM 911 CG LYS A 124 9.237 -10.361 -7.631 1.00 0.00 C ATOM 912 CD LYS A 124 10.127 -11.015 -8.674 1.00 0.00 C ATOM 913 CE LYS A 124 11.128 -11.966 -8.036 1.00 0.00 C ATOM 914 NZ LYS A 124 12.303 -12.208 -8.918 1.00 0.00 N ATOM 0 H LYS A 124 6.231 -7.975 -8.922 1.00 0.00 H new ATOM 0 HA LYS A 124 7.341 -10.591 -9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.882 -8.769 -9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.043 -8.593 -7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.856 -9.897 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.634 -11.123 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.511 -11.560 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.660 -10.246 -9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.466 -11.553 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.638 -12.914 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.962 -12.861 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 11.983 -12.626 -9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.786 -11.307 -9.108 1.00 0.00 H new ATOM 928 N CYS A 125 5.904 -9.989 -6.748 1.00 0.00 N ATOM 929 CA CYS A 125 5.143 -10.610 -5.670 1.00 0.00 C ATOM 930 C CYS A 125 3.756 -9.984 -5.552 1.00 0.00 C ATOM 931 O CYS A 125 3.587 -8.784 -5.766 1.00 0.00 O ATOM 932 CB CYS A 125 5.892 -10.470 -4.343 1.00 0.00 C ATOM 933 SG CYS A 125 5.126 -11.373 -2.959 1.00 0.00 S ATOM 0 H CYS A 125 6.123 -9.004 -6.597 1.00 0.00 H new ATOM 0 HA CYS A 125 5.026 -11.668 -5.904 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.913 -10.827 -4.475 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.955 -9.413 -4.083 1.00 0.00 H new ATOM 0 HG CYS A 125 5.406 -10.772 -1.841 1.00 0.00 H new ATOM 938 N GLN A 126 2.769 -10.806 -5.211 1.00 0.00 N ATOM 939 CA GLN A 126 1.398 -10.333 -5.065 1.00 0.00 C ATOM 940 C GLN A 126 1.140 -9.839 -3.645 1.00 0.00 C ATOM 941 O GLN A 126 0.878 -8.657 -3.426 1.00 0.00 O ATOM 942 CB GLN A 126 0.411 -11.448 -5.417 1.00 0.00 C ATOM 943 CG GLN A 126 0.327 -11.738 -6.907 1.00 0.00 C ATOM 944 CD GLN A 126 -0.345 -10.622 -7.682 1.00 0.00 C ATOM 945 OE1 GLN A 126 0.113 -9.479 -7.671 1.00 0.00 O ATOM 946 NE2 GLN A 126 -1.440 -10.947 -8.360 1.00 0.00 N ATOM 0 H GLN A 126 2.893 -11.802 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 126 1.253 -9.499 -5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.703 -12.359 -4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.579 -11.174 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 126 1.332 -11.894 -7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.224 -12.666 -7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -1.785 -11.907 -8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -1.936 -10.237 -8.899 1.00 0.00 H new ATOM 955 N TYR A 127 1.216 -10.753 -2.684 1.00 0.00 N ATOM 956 CA TYR A 127 0.989 -10.411 -1.285 1.00 0.00 C ATOM 957 C TYR A 127 1.709 -9.118 -0.915 1.00 0.00 C ATOM 958 O TYR A 127 1.078 -8.116 -0.577 1.00 0.00 O ATOM 959 CB TYR A 127 1.460 -11.548 -0.377 1.00 0.00 C ATOM 960 CG TYR A 127 1.243 -11.278 1.095 1.00 0.00 C ATOM 961 CD1 TYR A 127 0.030 -11.572 1.704 1.00 0.00 C ATOM 962 CD2 TYR A 127 2.252 -10.729 1.876 1.00 0.00 C ATOM 963 CE1 TYR A 127 -0.173 -11.326 3.048 1.00 0.00 C ATOM 964 CE2 TYR A 127 2.059 -10.481 3.222 1.00 0.00 C ATOM 965 CZ TYR A 127 0.844 -10.781 3.803 1.00 0.00 C ATOM 966 OH TYR A 127 0.647 -10.535 5.142 1.00 0.00 O ATOM 0 H TYR A 127 1.433 -11.736 -2.848 1.00 0.00 H new ATOM 0 HA TYR A 127 -0.081 -10.262 -1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 127 0.934 -12.462 -0.651 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.521 -11.726 -0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -0.769 -12.000 1.117 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.204 -10.492 1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -1.123 -11.559 3.505 1.00 0.00 H new ATOM 0 HE2 TYR A 127 2.854 -10.055 3.815 1.00 0.00 H new ATOM 0 HH TYR A 127 1.462 -10.151 5.528 1.00 0.00 H new ATOM 976 N CYS A 128 3.036 -9.148 -0.983 1.00 0.00 N ATOM 977 CA CYS A 128 3.845 -7.980 -0.657 1.00 0.00 C ATOM 978 C CYS A 128 3.268 -6.722 -1.298 1.00 0.00 C ATOM 979 O CYS A 128 3.140 -5.684 -0.648 1.00 0.00 O ATOM 980 CB CYS A 128 5.288 -8.187 -1.123 1.00 0.00 C ATOM 981 SG CYS A 128 6.244 -9.344 -0.090 1.00 0.00 S ATOM 0 H CYS A 128 3.574 -9.969 -1.261 1.00 0.00 H new ATOM 0 HA CYS A 128 3.834 -7.852 0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.278 -8.556 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.796 -7.223 -1.136 1.00 0.00 H new ATOM 0 HG CYS A 128 7.025 -10.057 -0.846 1.00 0.00 H new ATOM 986 N ARG A 129 2.921 -6.822 -2.577 1.00 0.00 N ATOM 987 CA ARG A 129 2.358 -5.693 -3.307 1.00 0.00 C ATOM 988 C ARG A 129 1.153 -5.115 -2.570 1.00 0.00 C ATOM 989 O ARG A 129 1.143 -3.941 -2.199 1.00 0.00 O ATOM 990 CB ARG A 129 1.948 -6.122 -4.717 1.00 0.00 C ATOM 991 CG ARG A 129 1.496 -4.968 -5.598 1.00 0.00 C ATOM 992 CD ARG A 129 0.893 -5.466 -6.902 1.00 0.00 C ATOM 993 NE ARG A 129 1.899 -5.604 -7.952 1.00 0.00 N ATOM 994 CZ ARG A 129 1.603 -5.700 -9.244 1.00 0.00 C ATOM 995 NH1 ARG A 129 0.339 -5.674 -9.642 1.00 0.00 N ATOM 996 NH2 ARG A 129 2.574 -5.823 -10.140 1.00 0.00 N ATOM 0 H ARG A 129 3.020 -7.674 -3.129 1.00 0.00 H new ATOM 0 HA ARG A 129 3.124 -4.921 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.790 -6.624 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.141 -6.851 -4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.762 -4.366 -5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.345 -4.319 -5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.410 -6.429 -6.734 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.118 -4.774 -7.231 1.00 0.00 H new ATOM 0 HE ARG A 129 2.881 -5.628 -7.679 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -0.410 -5.580 -8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.115 -5.748 -10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.548 -5.844 -9.837 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.347 -5.897 -11.132 1.00 0.00 H new ATOM 1010 N PHE A 130 0.139 -5.948 -2.360 1.00 0.00 N ATOM 1011 CA PHE A 130 -1.072 -5.520 -1.669 1.00 0.00 C ATOM 1012 C PHE A 130 -0.741 -4.971 -0.284 1.00 0.00 C ATOM 1013 O PHE A 130 -1.333 -3.988 0.162 1.00 0.00 O ATOM 1014 CB PHE A 130 -2.054 -6.686 -1.547 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.382 -6.293 -0.964 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -4.148 -5.304 -1.558 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.863 -6.913 0.178 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.370 -4.940 -1.025 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -5.084 -6.554 0.715 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.838 -5.565 0.114 1.00 0.00 C ATOM 0 H PHE A 130 0.132 -6.923 -2.658 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.534 -4.726 -2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -2.214 -7.121 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.608 -7.462 -0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.786 -4.811 -2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -3.277 -7.685 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.958 -4.168 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.449 -7.046 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.792 -5.281 0.534 1.00 0.00 H new ATOM 1030 N GLN A 131 0.206 -5.614 0.390 1.00 0.00 N ATOM 1031 CA GLN A 131 0.614 -5.191 1.725 1.00 0.00 C ATOM 1032 C GLN A 131 1.171 -3.772 1.700 1.00 0.00 C ATOM 1033 O GLN A 131 0.704 -2.897 2.429 1.00 0.00 O ATOM 1034 CB GLN A 131 1.661 -6.153 2.290 1.00 0.00 C ATOM 1035 CG GLN A 131 1.063 -7.336 3.033 1.00 0.00 C ATOM 1036 CD GLN A 131 0.582 -6.970 4.423 1.00 0.00 C ATOM 1037 OE1 GLN A 131 1.363 -6.934 5.373 1.00 0.00 O ATOM 1038 NE2 GLN A 131 -0.711 -6.695 4.549 1.00 0.00 N ATOM 0 H GLN A 131 0.705 -6.429 0.035 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.266 -5.205 2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.280 -6.523 1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.318 -5.605 2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.228 -7.737 2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.808 -8.128 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -1.323 -6.737 3.734 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -1.092 -6.442 5.461 1.00 0.00 H new ATOM 1047 N LYS A 132 2.173 -3.549 0.856 1.00 0.00 N ATOM 1048 CA LYS A 132 2.794 -2.236 0.734 1.00 0.00 C ATOM 1049 C LYS A 132 1.737 -1.139 0.661 1.00 0.00 C ATOM 1050 O LYS A 132 1.869 -0.093 1.298 1.00 0.00 O ATOM 1051 CB LYS A 132 3.686 -2.184 -0.508 1.00 0.00 C ATOM 1052 CG LYS A 132 4.410 -0.860 -0.682 1.00 0.00 C ATOM 1053 CD LYS A 132 5.734 -1.040 -1.407 1.00 0.00 C ATOM 1054 CE LYS A 132 6.526 0.258 -1.451 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.833 0.087 -2.143 1.00 0.00 N ATOM 0 H LYS A 132 2.572 -4.262 0.246 1.00 0.00 H new ATOM 0 HA LYS A 132 3.406 -2.068 1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.422 -2.986 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.076 -2.374 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.779 -0.170 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.587 -0.410 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.322 -1.810 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.549 -1.389 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 132 5.942 1.023 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.697 0.614 -0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.480 0.849 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.245 -0.833 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.689 0.125 -3.172 1.00 0.00 H new ATOM 1069 N CYS A 133 0.690 -1.384 -0.118 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.390 -0.417 -0.274 1.00 0.00 C ATOM 1071 C CYS A 133 -1.005 -0.066 1.076 1.00 0.00 C ATOM 1072 O CYS A 133 -1.216 1.107 1.389 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.467 -0.969 -1.210 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.000 -0.963 -2.957 1.00 0.00 S ATOM 0 H CYS A 133 0.566 -2.244 -0.652 1.00 0.00 H new ATOM 0 HA CYS A 133 0.029 0.490 -0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.704 -1.990 -0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.377 -0.382 -1.086 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.629 -0.005 -3.571 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.293 -1.089 1.873 1.00 0.00 N ATOM 1081 CA LEU A 134 -1.886 -0.890 3.191 1.00 0.00 C ATOM 1082 C LEU A 134 -0.927 -0.142 4.112 1.00 0.00 C ATOM 1083 O LEU A 134 -1.321 0.798 4.802 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.262 -2.237 3.812 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.289 -3.068 3.042 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -3.247 -4.519 3.493 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.686 -2.491 3.224 1.00 0.00 C ATOM 0 H LEU A 134 -1.125 -2.065 1.629 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.787 -0.289 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.354 -2.830 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.649 -2.057 4.815 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.037 -3.031 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.985 -5.095 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -2.253 -4.928 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.473 -4.576 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.404 -3.095 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.947 -2.497 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.708 -1.467 2.851 1.00 0.00 H new ATOM 1099 N ALA A 135 0.332 -0.565 4.115 1.00 0.00 N ATOM 1100 CA ALA A 135 1.348 0.067 4.948 1.00 0.00 C ATOM 1101 C ALA A 135 1.420 1.567 4.682 1.00 0.00 C ATOM 1102 O ALA A 135 1.514 2.369 5.612 1.00 0.00 O ATOM 1103 CB ALA A 135 2.705 -0.579 4.708 1.00 0.00 C ATOM 0 H ALA A 135 0.673 -1.343 3.550 1.00 0.00 H new ATOM 0 HA ALA A 135 1.069 -0.078 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.454 -0.097 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.652 -1.639 4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.983 -0.464 3.660 1.00 0.00 H new ATOM 1109 N LEU A 136 1.376 1.940 3.408 1.00 0.00 N ATOM 1110 CA LEU A 136 1.437 3.345 3.020 1.00 0.00 C ATOM 1111 C LEU A 136 0.236 4.112 3.562 1.00 0.00 C ATOM 1112 O LEU A 136 0.323 5.308 3.838 1.00 0.00 O ATOM 1113 CB LEU A 136 1.492 3.471 1.496 1.00 0.00 C ATOM 1114 CG LEU A 136 2.777 2.981 0.828 1.00 0.00 C ATOM 1115 CD1 LEU A 136 2.534 2.689 -0.645 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.889 4.006 0.994 1.00 0.00 C ATOM 0 H LEU A 136 1.298 1.290 2.626 1.00 0.00 H new ATOM 0 HA LEU A 136 2.342 3.776 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.653 2.917 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 136 1.346 4.519 1.233 1.00 0.00 H new ATOM 0 HG LEU A 136 3.087 2.056 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.459 2.341 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.769 1.919 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.199 3.598 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.796 3.640 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.588 4.947 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.081 4.166 2.055 1.00 0.00 H new ATOM 1128 N GLY A 137 -0.886 3.415 3.714 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.089 4.047 4.225 1.00 0.00 C ATOM 1130 C GLY A 137 -3.157 4.204 3.162 1.00 0.00 C ATOM 1131 O GLY A 137 -3.821 5.238 3.088 1.00 0.00 O ATOM 0 H GLY A 137 -0.984 2.424 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.485 3.454 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.837 5.027 4.630 1.00 0.00 H new ATOM 1135 N MET A 138 -3.324 3.177 2.336 1.00 0.00 N ATOM 1136 CA MET A 138 -4.320 3.207 1.271 1.00 0.00 C ATOM 1137 C MET A 138 -5.724 3.010 1.834 1.00 0.00 C ATOM 1138 O MET A 138 -6.039 1.957 2.387 1.00 0.00 O ATOM 1139 CB MET A 138 -4.018 2.126 0.231 1.00 0.00 C ATOM 1140 CG MET A 138 -3.094 2.594 -0.882 1.00 0.00 C ATOM 1141 SD MET A 138 -3.322 1.665 -2.410 1.00 0.00 S ATOM 1142 CE MET A 138 -2.996 2.935 -3.630 1.00 0.00 C ATOM 0 H MET A 138 -2.783 2.314 2.383 1.00 0.00 H new ATOM 0 HA MET A 138 -4.274 4.185 0.792 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.566 1.269 0.731 1.00 0.00 H new ATOM 0 HB3 MET A 138 -4.955 1.782 -0.207 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.271 3.652 -1.075 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.059 2.498 -0.554 1.00 0.00 H new ATOM 0 HE1 MET A 138 -3.218 2.549 -4.625 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.624 3.803 -3.428 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.947 3.227 -3.580 1.00 0.00 H new ATOM 1152 N SER A 139 -6.563 4.030 1.689 1.00 0.00 N ATOM 1153 CA SER A 139 -7.932 3.970 2.187 1.00 0.00 C ATOM 1154 C SER A 139 -8.741 2.922 1.428 1.00 0.00 C ATOM 1155 O SER A 139 -8.944 3.034 0.219 1.00 0.00 O ATOM 1156 CB SER A 139 -8.604 5.339 2.060 1.00 0.00 C ATOM 1157 OG SER A 139 -9.622 5.500 3.032 1.00 0.00 O ATOM 0 H SER A 139 -6.319 4.908 1.231 1.00 0.00 H new ATOM 0 HA SER A 139 -7.897 3.686 3.239 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.858 6.126 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.029 5.448 1.062 1.00 0.00 H new ATOM 0 HG SER A 139 -10.034 6.383 2.931 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.200 1.903 2.148 1.00 0.00 N ATOM 1164 CA HIS A 140 -9.987 0.834 1.544 1.00 0.00 C ATOM 1165 C HIS A 140 -11.473 1.179 1.558 1.00 0.00 C ATOM 1166 O HIS A 140 -12.236 0.713 0.713 1.00 0.00 O ATOM 1167 CB HIS A 140 -9.751 -0.483 2.285 1.00 0.00 C ATOM 1168 CG HIS A 140 -10.423 -0.547 3.622 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -10.072 0.265 4.680 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -11.431 -1.331 4.069 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -10.834 -0.019 5.721 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -11.668 -0.984 5.376 1.00 0.00 N ATOM 0 H HIS A 140 -9.041 1.795 3.150 1.00 0.00 H new ATOM 0 HA HIS A 140 -9.667 0.722 0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -10.109 -1.307 1.668 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -8.679 -0.628 2.419 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -11.952 -2.089 3.503 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -10.784 0.457 6.689 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -12.373 -1.403 5.982 1.00 0.00 H new