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 USER MOD Set 1.2: A 131 GLN : amide:sc= -0.0765 X(o=-0.077,f=-0.16) USER MOD Set 2.1: A 111 CYS SG : rot 158:sc= -0.282 USER MOD Set 2.2: A 115 CYS SG : rot 67:sc= 0.595 USER MOD Set 2.3: A 125 CYS SG : rot -150:sc= 0.82 USER MOD Set 2.4: A 128 CYS SG : rot -30:sc= -1.48! USER MOD Set 3.1: A 101 THR OG1 : rot 72:sc= 0.747 USER MOD Set 3.2: A 108 TYR OH : rot 162:sc= 0.0121 USER MOD Set 4.1: A 74 CYS SG : rot -176:sc= -1.76! USER MOD Set 4.2: A 77 CYS SG : rot -47:sc= 0.579 USER MOD Set 4.3: A 91 CYS SG : rot -129:sc= 1.24 USER MOD Set 4.4: A 94 CYS SG : rot 87:sc= -1.02 USER MOD Single : A 80 LYS NZ :NH3+ 148:sc=-0.00987 (180deg=-0.882) USER MOD Single : A 82 SER OG : rot -130:sc= 0.575 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= -0.177 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -147:sc= -0.522 (180deg=-1.47!) USER MOD Single : A 104 MET CE :methyl -132:sc= 0 (180deg=-0.142) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 161:sc= -0.0484 (180deg=-0.355) USER MOD Single : A 118 GLN : amide:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -3.6! C(o=-3.6!,f=-5.1!) USER MOD Single : A 123 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.66) USER MOD Single : A 124 LYS NZ :NH3+ -118:sc= -0.0404 (180deg=-1.07) USER MOD Single : A 126 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.55) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 CYS SG : rot -82:sc= -0.334 USER MOD Single : A 138 MET CE :methyl -164:sc= -0.275 (180deg=-0.832) USER MOD Single : A 139 SER OG : rot 33:sc= 0.209 USER MOD Single : A 140 HIS : no HD1:sc= 0.0279 K(o=0.028,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.262 10.403 -7.743 1.00 0.00 N ATOM 84 CA GLU A 73 6.577 8.980 -7.778 1.00 0.00 C ATOM 85 C GLU A 73 5.556 8.177 -6.976 1.00 0.00 C ATOM 86 O GLU A 73 5.049 8.641 -5.954 1.00 0.00 O ATOM 87 CB GLU A 73 7.983 8.732 -7.227 1.00 0.00 C ATOM 88 CG GLU A 73 9.072 8.805 -8.284 1.00 0.00 C ATOM 89 CD GLU A 73 10.416 9.209 -7.710 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.434 9.942 -6.699 1.00 0.00 O ATOM 91 OE2 GLU A 73 11.450 8.793 -8.273 1.00 0.00 O ATOM 0 HA GLU A 73 6.538 8.651 -8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.194 9.466 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.011 7.750 -6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.166 7.834 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.780 9.520 -9.053 1.00 0.00 H new ATOM 98 N CYS A 74 5.258 6.971 -7.447 1.00 0.00 N ATOM 99 CA CYS A 74 4.298 6.103 -6.777 1.00 0.00 C ATOM 100 C CYS A 74 4.885 5.537 -5.487 1.00 0.00 C ATOM 101 O CYS A 74 5.790 4.703 -5.518 1.00 0.00 O ATOM 102 CB CYS A 74 3.878 4.961 -7.704 1.00 0.00 C ATOM 103 SG CYS A 74 2.864 3.681 -6.894 1.00 0.00 S ATOM 0 H CYS A 74 5.668 6.572 -8.291 1.00 0.00 H new ATOM 0 HA CYS A 74 3.421 6.699 -6.525 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.319 5.375 -8.543 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.772 4.494 -8.116 1.00 0.00 H new ATOM 0 HG CYS A 74 2.628 2.718 -7.735 1.00 0.00 H new ATOM 108 N ARG A 75 4.363 5.996 -4.354 1.00 0.00 N ATOM 109 CA ARG A 75 4.835 5.537 -3.054 1.00 0.00 C ATOM 110 C ARG A 75 4.893 4.013 -3.004 1.00 0.00 C ATOM 111 O ARG A 75 5.778 3.435 -2.372 1.00 0.00 O ATOM 112 CB ARG A 75 3.923 6.059 -1.943 1.00 0.00 C ATOM 113 CG ARG A 75 3.934 7.573 -1.807 1.00 0.00 C ATOM 114 CD ARG A 75 3.844 8.003 -0.352 1.00 0.00 C ATOM 115 NE ARG A 75 3.702 9.451 -0.216 1.00 0.00 N ATOM 116 CZ ARG A 75 4.730 10.292 -0.204 1.00 0.00 C ATOM 117 NH1 ARG A 75 5.968 9.832 -0.319 1.00 0.00 N ATOM 118 NH2 ARG A 75 4.520 11.596 -0.077 1.00 0.00 N ATOM 0 H ARG A 75 3.613 6.686 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 75 5.841 5.928 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.903 5.727 -2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.228 5.615 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.847 7.972 -2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.098 7.995 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.994 7.510 0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.738 7.675 0.179 1.00 0.00 H new ATOM 0 HE ARG A 75 2.762 9.837 -0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.133 8.830 -0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.756 10.480 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.569 11.953 0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.310 12.241 -0.068 1.00 0.00 H new ATOM 132 N VAL A 76 3.944 3.367 -3.675 1.00 0.00 N ATOM 133 CA VAL A 76 3.887 1.911 -3.708 1.00 0.00 C ATOM 134 C VAL A 76 5.138 1.326 -4.354 1.00 0.00 C ATOM 135 O VAL A 76 5.985 0.741 -3.678 1.00 0.00 O ATOM 136 CB VAL A 76 2.647 1.414 -4.474 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.406 -0.062 -4.201 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.425 2.240 -4.101 1.00 0.00 C ATOM 0 H VAL A 76 3.204 3.830 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 76 3.824 1.574 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 76 2.828 1.536 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.526 -0.395 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.274 -0.638 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.245 -0.213 -3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.558 1.875 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.239 2.152 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.602 3.286 -4.353 1.00 0.00 H new ATOM 148 N CYS A 77 5.250 1.490 -5.668 1.00 0.00 N ATOM 149 CA CYS A 77 6.397 0.979 -6.409 1.00 0.00 C ATOM 150 C CYS A 77 7.419 2.085 -6.658 1.00 0.00 C ATOM 151 O CYS A 77 8.620 1.888 -6.472 1.00 0.00 O ATOM 152 CB CYS A 77 5.945 0.378 -7.741 1.00 0.00 C ATOM 153 SG CYS A 77 5.265 1.596 -8.913 1.00 0.00 S ATOM 0 H CYS A 77 4.559 1.973 -6.242 1.00 0.00 H new ATOM 0 HA CYS A 77 6.868 0.200 -5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.793 -0.125 -8.207 1.00 0.00 H new ATOM 0 HB3 CYS A 77 5.190 -0.384 -7.546 1.00 0.00 H new ATOM 0 HG CYS A 77 4.417 2.365 -8.297 1.00 0.00 H new ATOM 158 N GLY A 78 6.934 3.248 -7.079 1.00 0.00 N ATOM 159 CA GLY A 78 7.818 4.368 -7.347 1.00 0.00 C ATOM 160 C GLY A 78 7.642 4.924 -8.746 1.00 0.00 C ATOM 161 O GLY A 78 7.807 6.123 -8.970 1.00 0.00 O ATOM 0 H GLY A 78 5.944 3.435 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.630 5.157 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.852 4.051 -7.213 1.00 0.00 H new ATOM 165 N ASP A 79 7.307 4.051 -9.690 1.00 0.00 N ATOM 166 CA ASP A 79 7.110 4.461 -11.075 1.00 0.00 C ATOM 167 C ASP A 79 6.290 5.745 -11.150 1.00 0.00 C ATOM 168 O ASP A 79 5.582 6.099 -10.207 1.00 0.00 O ATOM 169 CB ASP A 79 6.414 3.351 -11.864 1.00 0.00 C ATOM 170 CG ASP A 79 6.190 3.725 -13.316 1.00 0.00 C ATOM 171 OD1 ASP A 79 7.159 3.660 -14.101 1.00 0.00 O ATOM 172 OD2 ASP A 79 5.047 4.084 -13.667 1.00 0.00 O ATOM 0 H ASP A 79 7.166 3.055 -9.521 1.00 0.00 H new ATOM 0 HA ASP A 79 8.089 4.650 -11.515 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.015 2.443 -11.814 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.455 3.125 -11.398 1.00 0.00 H new ATOM 177 N LYS A 80 6.391 6.441 -12.277 1.00 0.00 N ATOM 178 CA LYS A 80 5.660 7.687 -12.477 1.00 0.00 C ATOM 179 C LYS A 80 4.229 7.566 -11.962 1.00 0.00 C ATOM 180 O LYS A 80 3.505 6.640 -12.325 1.00 0.00 O ATOM 181 CB LYS A 80 5.649 8.064 -13.960 1.00 0.00 C ATOM 182 CG LYS A 80 4.655 7.264 -14.784 1.00 0.00 C ATOM 183 CD LYS A 80 5.031 7.254 -16.256 1.00 0.00 C ATOM 184 CE LYS A 80 4.564 8.519 -16.959 1.00 0.00 C ATOM 185 NZ LYS A 80 5.516 9.647 -16.762 1.00 0.00 N ATOM 0 H LYS A 80 6.973 6.163 -13.067 1.00 0.00 H new ATOM 0 HA LYS A 80 6.166 8.471 -11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.416 9.125 -14.055 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.648 7.919 -14.370 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.613 6.241 -14.411 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.658 7.688 -14.665 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.112 7.159 -16.356 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.589 6.383 -16.740 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.451 8.321 -18.025 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.582 8.803 -16.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.507 10.260 -17.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.232 10.199 -15.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.475 9.271 -16.618 1.00 0.00 H new ATOM 199 N ALA A 81 3.828 8.508 -11.115 1.00 0.00 N ATOM 200 CA ALA A 81 2.483 8.509 -10.554 1.00 0.00 C ATOM 201 C ALA A 81 1.458 8.965 -11.586 1.00 0.00 C ATOM 202 O ALA A 81 1.779 9.724 -12.500 1.00 0.00 O ATOM 203 CB ALA A 81 2.426 9.399 -9.321 1.00 0.00 C ATOM 0 H ALA A 81 4.416 9.281 -10.802 1.00 0.00 H new ATOM 0 HA ALA A 81 2.237 7.488 -10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.416 9.390 -8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.124 9.027 -8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.698 10.418 -9.595 1.00 0.00 H new ATOM 209 N SER A 82 0.223 8.498 -11.433 1.00 0.00 N ATOM 210 CA SER A 82 -0.849 8.856 -12.355 1.00 0.00 C ATOM 211 C SER A 82 -1.789 9.879 -11.725 1.00 0.00 C ATOM 212 O SER A 82 -2.187 10.851 -12.366 1.00 0.00 O ATOM 213 CB SER A 82 -1.635 7.608 -12.764 1.00 0.00 C ATOM 214 OG SER A 82 -0.772 6.605 -13.270 1.00 0.00 O ATOM 0 H SER A 82 -0.060 7.871 -10.680 1.00 0.00 H new ATOM 0 HA SER A 82 -0.399 9.301 -13.242 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.182 7.221 -11.904 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.374 7.872 -13.520 1.00 0.00 H new ATOM 0 HG SER A 82 -1.117 6.278 -14.127 1.00 0.00 H new ATOM 220 N GLY A 83 -2.141 9.652 -10.462 1.00 0.00 N ATOM 221 CA GLY A 83 -3.031 10.562 -9.766 1.00 0.00 C ATOM 222 C GLY A 83 -3.032 10.337 -8.266 1.00 0.00 C ATOM 223 O GLY A 83 -2.473 9.355 -7.778 1.00 0.00 O ATOM 0 H GLY A 83 -1.825 8.855 -9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.733 11.589 -9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.044 10.439 -10.150 1.00 0.00 H new ATOM 227 N PHE A 84 -3.660 11.251 -7.533 1.00 0.00 N ATOM 228 CA PHE A 84 -3.729 11.150 -6.080 1.00 0.00 C ATOM 229 C PHE A 84 -4.935 10.320 -5.649 1.00 0.00 C ATOM 230 O PHE A 84 -6.022 10.853 -5.425 1.00 0.00 O ATOM 231 CB PHE A 84 -3.805 12.544 -5.454 1.00 0.00 C ATOM 232 CG PHE A 84 -3.387 12.576 -4.012 1.00 0.00 C ATOM 233 CD1 PHE A 84 -2.173 12.038 -3.616 1.00 0.00 C ATOM 234 CD2 PHE A 84 -4.208 13.145 -3.051 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.786 12.066 -2.290 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.827 13.176 -1.723 1.00 0.00 C ATOM 237 CZ PHE A 84 -2.614 12.637 -1.342 1.00 0.00 C ATOM 0 H PHE A 84 -4.128 12.070 -7.922 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.824 10.652 -5.732 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.171 13.224 -6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.826 12.916 -5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.522 11.591 -4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.157 13.569 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.838 11.642 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.477 13.621 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.313 12.662 -0.305 1.00 0.00 H new ATOM 247 N HIS A 85 -4.735 9.010 -5.537 1.00 0.00 N ATOM 248 CA HIS A 85 -5.805 8.106 -5.133 1.00 0.00 C ATOM 249 C HIS A 85 -5.545 7.545 -3.738 1.00 0.00 C ATOM 250 O HIS A 85 -4.440 7.092 -3.436 1.00 0.00 O ATOM 251 CB HIS A 85 -5.941 6.961 -6.138 1.00 0.00 C ATOM 252 CG HIS A 85 -5.968 7.417 -7.564 1.00 0.00 C ATOM 253 ND1 HIS A 85 -7.068 8.016 -8.142 1.00 0.00 N ATOM 254 CD2 HIS A 85 -5.021 7.361 -8.530 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.797 8.307 -9.402 1.00 0.00 C ATOM 256 NE2 HIS A 85 -5.561 7.920 -9.662 1.00 0.00 N ATOM 0 H HIS A 85 -3.842 8.552 -5.720 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.736 8.672 -5.110 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.110 6.268 -6.002 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.856 6.408 -5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.026 6.953 -8.429 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.471 8.781 -10.100 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.085 8.020 -10.558 1.00 0.00 H new ATOM 264 N TYR A 86 -6.569 7.578 -2.892 1.00 0.00 N ATOM 265 CA TYR A 86 -6.450 7.077 -1.528 1.00 0.00 C ATOM 266 C TYR A 86 -5.543 7.976 -0.694 1.00 0.00 C ATOM 267 O TYR A 86 -4.884 7.519 0.239 1.00 0.00 O ATOM 268 CB TYR A 86 -5.903 5.648 -1.534 1.00 0.00 C ATOM 269 CG TYR A 86 -6.613 4.732 -2.505 1.00 0.00 C ATOM 270 CD1 TYR A 86 -6.192 4.626 -3.825 1.00 0.00 C ATOM 271 CD2 TYR A 86 -7.705 3.972 -2.103 1.00 0.00 C ATOM 272 CE1 TYR A 86 -6.837 3.791 -4.716 1.00 0.00 C ATOM 273 CE2 TYR A 86 -8.356 3.134 -2.987 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.919 3.047 -4.293 1.00 0.00 C ATOM 275 OH TYR A 86 -8.564 2.213 -5.177 1.00 0.00 O ATOM 0 H TYR A 86 -7.491 7.946 -3.127 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.444 7.078 -1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.842 5.675 -1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.985 5.232 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.345 5.207 -4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.050 4.038 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.496 3.721 -5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.203 2.550 -2.658 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.303 1.761 -4.720 1.00 0.00 H new ATOM 285 N GLY A 87 -5.517 9.261 -1.037 1.00 0.00 N ATOM 286 CA GLY A 87 -4.689 10.206 -0.311 1.00 0.00 C ATOM 287 C GLY A 87 -3.210 9.903 -0.443 1.00 0.00 C ATOM 288 O GLY A 87 -2.387 10.455 0.288 1.00 0.00 O ATOM 0 H GLY A 87 -6.055 9.664 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.884 11.213 -0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.967 10.193 0.743 1.00 0.00 H new ATOM 292 N VAL A 88 -2.869 9.021 -1.378 1.00 0.00 N ATOM 293 CA VAL A 88 -1.479 8.644 -1.604 1.00 0.00 C ATOM 294 C VAL A 88 -1.146 8.640 -3.091 1.00 0.00 C ATOM 295 O VAL A 88 -1.952 8.211 -3.918 1.00 0.00 O ATOM 296 CB VAL A 88 -1.171 7.255 -1.015 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.785 6.162 -1.877 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.331 7.056 -0.877 1.00 0.00 C ATOM 0 H VAL A 88 -3.537 8.554 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.863 9.388 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.615 7.194 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.557 5.187 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.866 6.296 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.372 6.218 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.530 6.069 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.800 7.137 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.740 7.820 -0.215 1.00 0.00 H new ATOM 308 N HIS A 89 0.048 9.119 -3.426 1.00 0.00 N ATOM 309 CA HIS A 89 0.489 9.169 -4.816 1.00 0.00 C ATOM 310 C HIS A 89 0.794 7.769 -5.340 1.00 0.00 C ATOM 311 O HIS A 89 1.860 7.214 -5.072 1.00 0.00 O ATOM 312 CB HIS A 89 1.727 10.056 -4.948 1.00 0.00 C ATOM 313 CG HIS A 89 1.407 11.499 -5.192 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.533 12.472 -4.223 1.00 0.00 N ATOM 315 CD2 HIS A 89 0.964 12.132 -6.304 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.180 13.641 -4.728 1.00 0.00 C ATOM 317 NE2 HIS A 89 0.831 13.462 -5.989 1.00 0.00 N ATOM 0 H HIS A 89 0.727 9.478 -2.755 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.319 9.593 -5.413 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.322 9.973 -4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.344 9.686 -5.767 1.00 0.00 H new ATOM 0 HD2 HIS A 89 0.754 11.676 -7.260 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.177 14.583 -4.199 1.00 0.00 H new ATOM 0 HE2 HIS A 89 0.514 14.193 -6.626 1.00 0.00 H new ATOM 325 N ALA A 90 -0.148 7.203 -6.086 1.00 0.00 N ATOM 326 CA ALA A 90 0.020 5.869 -6.648 1.00 0.00 C ATOM 327 C ALA A 90 -0.063 5.900 -8.170 1.00 0.00 C ATOM 328 O ALA A 90 -0.582 6.851 -8.755 1.00 0.00 O ATOM 329 CB ALA A 90 -1.025 4.921 -6.080 1.00 0.00 C ATOM 0 H ALA A 90 -1.037 7.648 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 90 1.011 5.508 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.887 3.928 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.916 4.867 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.021 5.288 -6.327 1.00 0.00 H new ATOM 335 N CYS A 91 0.451 4.853 -8.808 1.00 0.00 N ATOM 336 CA CYS A 91 0.436 4.761 -10.263 1.00 0.00 C ATOM 337 C CYS A 91 -0.684 3.839 -10.738 1.00 0.00 C ATOM 338 O CYS A 91 -1.135 2.964 -10.000 1.00 0.00 O ATOM 339 CB CYS A 91 1.784 4.250 -10.776 1.00 0.00 C ATOM 340 SG CYS A 91 2.074 2.478 -10.467 1.00 0.00 S ATOM 0 H CYS A 91 0.883 4.056 -8.340 1.00 0.00 H new ATOM 0 HA CYS A 91 0.256 5.759 -10.664 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.847 4.436 -11.848 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.581 4.825 -10.306 1.00 0.00 H new ATOM 0 HG CYS A 91 3.232 2.321 -9.897 1.00 0.00 H new ATOM 345 N GLU A 92 -1.126 4.044 -11.974 1.00 0.00 N ATOM 346 CA GLU A 92 -2.193 3.232 -12.547 1.00 0.00 C ATOM 347 C GLU A 92 -1.935 1.747 -12.309 1.00 0.00 C ATOM 348 O GLU A 92 -2.831 1.007 -11.904 1.00 0.00 O ATOM 349 CB GLU A 92 -2.323 3.504 -14.047 1.00 0.00 C ATOM 350 CG GLU A 92 -3.300 4.618 -14.382 1.00 0.00 C ATOM 351 CD GLU A 92 -4.747 4.191 -14.226 1.00 0.00 C ATOM 352 OE1 GLU A 92 -5.148 3.204 -14.876 1.00 0.00 O ATOM 353 OE2 GLU A 92 -5.477 4.845 -13.452 1.00 0.00 O ATOM 0 H GLU A 92 -0.762 4.765 -12.598 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.126 3.505 -12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.342 3.760 -14.447 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.643 2.590 -14.547 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.106 5.473 -13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.131 4.949 -15.407 1.00 0.00 H new ATOM 360 N GLY A 93 -0.702 1.318 -12.563 1.00 0.00 N ATOM 361 CA GLY A 93 -0.347 -0.076 -12.372 1.00 0.00 C ATOM 362 C GLY A 93 -0.687 -0.575 -10.981 1.00 0.00 C ATOM 363 O GLY A 93 -1.195 -1.684 -10.819 1.00 0.00 O ATOM 0 H GLY A 93 0.057 1.911 -12.898 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.868 -0.685 -13.111 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.721 -0.204 -12.550 1.00 0.00 H new ATOM 367 N CYS A 94 -0.404 0.245 -9.975 1.00 0.00 N ATOM 368 CA CYS A 94 -0.680 -0.119 -8.590 1.00 0.00 C ATOM 369 C CYS A 94 -2.157 0.077 -8.261 1.00 0.00 C ATOM 370 O CYS A 94 -2.841 -0.858 -7.844 1.00 0.00 O ATOM 371 CB CYS A 94 0.181 0.715 -7.640 1.00 0.00 C ATOM 372 SG CYS A 94 1.935 0.225 -7.602 1.00 0.00 S ATOM 0 H CYS A 94 0.017 1.167 -10.093 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.434 -1.173 -8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.114 1.763 -7.932 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.229 0.638 -6.633 1.00 0.00 H new ATOM 0 HG CYS A 94 2.578 0.839 -8.550 1.00 0.00 H new ATOM 377 N LYS A 95 -2.643 1.299 -8.451 1.00 0.00 N ATOM 378 CA LYS A 95 -4.038 1.619 -8.176 1.00 0.00 C ATOM 379 C LYS A 95 -4.956 0.487 -8.628 1.00 0.00 C ATOM 380 O LYS A 95 -5.763 -0.018 -7.849 1.00 0.00 O ATOM 381 CB LYS A 95 -4.432 2.920 -8.879 1.00 0.00 C ATOM 382 CG LYS A 95 -5.700 3.550 -8.328 1.00 0.00 C ATOM 383 CD LYS A 95 -6.447 4.328 -9.398 1.00 0.00 C ATOM 384 CE LYS A 95 -7.363 3.423 -10.208 1.00 0.00 C ATOM 385 NZ LYS A 95 -6.634 2.741 -11.313 1.00 0.00 N ATOM 0 H LYS A 95 -2.090 2.084 -8.795 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.150 1.746 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.613 3.634 -8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.567 2.722 -9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.348 2.772 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.448 4.216 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.035 5.118 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.732 4.813 -10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.808 2.676 -9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.182 4.012 -10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.273 2.613 -12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.820 3.321 -11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.299 1.812 -10.987 1.00 0.00 H new ATOM 399 N GLY A 96 -4.825 0.093 -9.891 1.00 0.00 N ATOM 400 CA GLY A 96 -5.647 -0.977 -10.423 1.00 0.00 C ATOM 401 C GLY A 96 -5.511 -2.262 -9.630 1.00 0.00 C ATOM 402 O GLY A 96 -6.489 -2.983 -9.431 1.00 0.00 O ATOM 0 H GLY A 96 -4.164 0.496 -10.555 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.691 -0.663 -10.424 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.369 -1.163 -11.460 1.00 0.00 H new ATOM 406 N PHE A 97 -4.296 -2.550 -9.178 1.00 0.00 N ATOM 407 CA PHE A 97 -4.035 -3.758 -8.404 1.00 0.00 C ATOM 408 C PHE A 97 -4.771 -3.719 -7.068 1.00 0.00 C ATOM 409 O PHE A 97 -5.643 -4.546 -6.802 1.00 0.00 O ATOM 410 CB PHE A 97 -2.532 -3.923 -8.167 1.00 0.00 C ATOM 411 CG PHE A 97 -2.203 -4.721 -6.938 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.145 -6.104 -6.989 1.00 0.00 C ATOM 413 CD2 PHE A 97 -1.951 -4.088 -5.731 1.00 0.00 C ATOM 414 CE1 PHE A 97 -1.844 -6.841 -5.859 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.648 -4.819 -4.598 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.594 -6.197 -4.662 1.00 0.00 C ATOM 0 H PHE A 97 -3.476 -1.964 -9.334 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.402 -4.611 -8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.086 -4.408 -9.035 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.075 -2.937 -8.083 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.337 -6.612 -7.922 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.992 -3.010 -5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.804 -7.919 -5.911 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.454 -4.313 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.357 -6.771 -3.778 1.00 0.00 H new ATOM 426 N PHE A 98 -4.412 -2.751 -6.230 1.00 0.00 N ATOM 427 CA PHE A 98 -5.036 -2.604 -4.921 1.00 0.00 C ATOM 428 C PHE A 98 -6.557 -2.642 -5.036 1.00 0.00 C ATOM 429 O PHE A 98 -7.217 -3.468 -4.407 1.00 0.00 O ATOM 430 CB PHE A 98 -4.596 -1.292 -4.267 1.00 0.00 C ATOM 431 CG PHE A 98 -5.325 -0.983 -2.992 1.00 0.00 C ATOM 432 CD1 PHE A 98 -5.237 -1.837 -1.904 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.100 0.160 -2.880 1.00 0.00 C ATOM 434 CE1 PHE A 98 -5.907 -1.555 -0.728 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.772 0.447 -1.707 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.677 -0.412 -0.630 1.00 0.00 C ATOM 0 H PHE A 98 -3.693 -2.058 -6.435 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.715 -3.439 -4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.526 -1.338 -4.062 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.750 -0.475 -4.971 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.638 -2.733 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.180 0.835 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.829 -2.228 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.371 1.343 -1.633 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.203 -0.191 0.287 1.00 0.00 H new ATOM 446 N ARG A 99 -7.106 -1.740 -5.844 1.00 0.00 N ATOM 447 CA ARG A 99 -8.549 -1.669 -6.041 1.00 0.00 C ATOM 448 C ARG A 99 -9.109 -3.027 -6.453 1.00 0.00 C ATOM 449 O ARG A 99 -10.041 -3.540 -5.833 1.00 0.00 O ATOM 450 CB ARG A 99 -8.889 -0.621 -7.102 1.00 0.00 C ATOM 451 CG ARG A 99 -10.369 -0.558 -7.444 1.00 0.00 C ATOM 452 CD ARG A 99 -10.720 0.734 -8.165 1.00 0.00 C ATOM 453 NE ARG A 99 -11.055 1.807 -7.234 1.00 0.00 N ATOM 454 CZ ARG A 99 -11.140 3.085 -7.585 1.00 0.00 C ATOM 455 NH1 ARG A 99 -10.915 3.448 -8.840 1.00 0.00 N ATOM 456 NH2 ARG A 99 -11.451 4.004 -6.679 1.00 0.00 N ATOM 0 H ARG A 99 -6.573 -1.049 -6.372 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.006 -1.379 -5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.564 0.358 -6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.324 -0.838 -8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.635 -1.409 -8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.958 -0.638 -6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.879 1.042 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.563 0.558 -8.834 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.234 1.562 -6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.676 2.745 -9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.981 4.430 -9.106 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.625 3.729 -5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.516 4.985 -6.950 1.00 0.00 H new ATOM 470 N ARG A 100 -8.535 -3.604 -7.504 1.00 0.00 N ATOM 471 CA ARG A 100 -8.978 -4.901 -8.001 1.00 0.00 C ATOM 472 C ARG A 100 -9.044 -5.922 -6.869 1.00 0.00 C ATOM 473 O ARG A 100 -10.022 -6.660 -6.740 1.00 0.00 O ATOM 474 CB ARG A 100 -8.036 -5.400 -9.098 1.00 0.00 C ATOM 475 CG ARG A 100 -8.310 -6.831 -9.532 1.00 0.00 C ATOM 476 CD ARG A 100 -7.803 -7.092 -10.941 1.00 0.00 C ATOM 477 NE ARG A 100 -6.348 -7.217 -10.985 1.00 0.00 N ATOM 478 CZ ARG A 100 -5.638 -7.147 -12.105 1.00 0.00 C ATOM 479 NH1 ARG A 100 -6.245 -6.952 -13.268 1.00 0.00 N ATOM 480 NH2 ARG A 100 -4.317 -7.270 -12.064 1.00 0.00 N ATOM 0 H ARG A 100 -7.762 -3.193 -8.028 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.978 -4.780 -8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.121 -4.744 -9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.008 -5.327 -8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.830 -7.521 -8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.381 -7.027 -9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.257 -8.005 -11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.117 -6.279 -11.596 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.850 -7.366 -10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.260 -6.855 -13.304 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.697 -6.899 -14.127 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.846 -7.419 -11.171 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.773 -7.216 -12.925 1.00 0.00 H new ATOM 494 N THR A 101 -7.997 -5.960 -6.050 1.00 0.00 N ATOM 495 CA THR A 101 -7.936 -6.892 -4.931 1.00 0.00 C ATOM 496 C THR A 101 -9.062 -6.632 -3.937 1.00 0.00 C ATOM 497 O THR A 101 -9.524 -7.548 -3.256 1.00 0.00 O ATOM 498 CB THR A 101 -6.585 -6.798 -4.196 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.508 -6.898 -5.135 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.459 -7.898 -3.153 1.00 0.00 C ATOM 0 H THR A 101 -7.180 -5.356 -6.141 1.00 0.00 H new ATOM 0 HA THR A 101 -8.047 -7.894 -5.347 1.00 0.00 H new ATOM 0 HB THR A 101 -6.538 -5.833 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.457 -6.074 -5.663 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.497 -7.811 -2.647 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.263 -7.801 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.526 -8.871 -3.640 1.00 0.00 H new ATOM 508 N ILE A 102 -9.499 -5.380 -3.859 1.00 0.00 N ATOM 509 CA ILE A 102 -10.572 -5.001 -2.949 1.00 0.00 C ATOM 510 C ILE A 102 -11.936 -5.369 -3.524 1.00 0.00 C ATOM 511 O ILE A 102 -12.660 -6.186 -2.956 1.00 0.00 O ATOM 512 CB ILE A 102 -10.546 -3.491 -2.645 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.231 -3.109 -1.963 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.733 -3.106 -1.774 1.00 0.00 C ATOM 515 CD1 ILE A 102 -9.093 -3.664 -0.563 1.00 0.00 C ATOM 0 H ILE A 102 -9.126 -4.611 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.410 -5.552 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.618 -2.944 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.399 -3.466 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.154 -2.022 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.701 -2.036 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.660 -3.348 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.690 -3.658 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.137 -3.353 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.904 -3.287 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -9.138 -4.753 -0.597 1.00 0.00 H new ATOM 527 N ARG A 103 -12.279 -4.761 -4.655 1.00 0.00 N ATOM 528 CA ARG A 103 -13.555 -5.025 -5.308 1.00 0.00 C ATOM 529 C ARG A 103 -13.742 -6.520 -5.551 1.00 0.00 C ATOM 530 O ARG A 103 -14.869 -7.006 -5.652 1.00 0.00 O ATOM 531 CB ARG A 103 -13.640 -4.267 -6.635 1.00 0.00 C ATOM 532 CG ARG A 103 -12.711 -4.811 -7.708 1.00 0.00 C ATOM 533 CD ARG A 103 -13.293 -4.617 -9.099 1.00 0.00 C ATOM 534 NE ARG A 103 -12.893 -3.341 -9.686 1.00 0.00 N ATOM 535 CZ ARG A 103 -13.217 -2.964 -10.918 1.00 0.00 C ATOM 536 NH1 ARG A 103 -13.944 -3.762 -11.688 1.00 0.00 N ATOM 537 NH2 ARG A 103 -12.815 -1.788 -11.381 1.00 0.00 N ATOM 0 H ARG A 103 -11.691 -4.082 -5.138 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.351 -4.679 -4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.666 -4.306 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.404 -3.217 -6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.745 -4.309 -7.643 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.532 -5.872 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.967 -5.432 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -14.381 -4.667 -9.047 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.334 -2.704 -9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.255 -4.667 -11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.192 -3.471 -12.634 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.256 -1.172 -10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -13.065 -1.500 -12.327 1.00 0.00 H new ATOM 551 N MET A 104 -12.631 -7.243 -5.645 1.00 0.00 N ATOM 552 CA MET A 104 -12.674 -8.682 -5.875 1.00 0.00 C ATOM 553 C MET A 104 -12.413 -9.448 -4.582 1.00 0.00 C ATOM 554 O MET A 104 -12.570 -10.668 -4.528 1.00 0.00 O ATOM 555 CB MET A 104 -11.644 -9.081 -6.934 1.00 0.00 C ATOM 556 CG MET A 104 -11.882 -8.433 -8.288 1.00 0.00 C ATOM 557 SD MET A 104 -11.153 -9.369 -9.645 1.00 0.00 S ATOM 558 CE MET A 104 -12.310 -10.730 -9.778 1.00 0.00 C ATOM 0 H MET A 104 -11.691 -6.856 -5.565 1.00 0.00 H new ATOM 0 HA MET A 104 -13.671 -8.938 -6.233 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.649 -8.811 -6.581 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.657 -10.165 -7.052 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.955 -8.334 -8.455 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.466 -7.426 -8.282 1.00 0.00 H new ATOM 0 HE1 MET A 104 -11.761 -11.671 -9.822 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.968 -10.734 -8.909 1.00 0.00 H new ATOM 0 HE3 MET A 104 -12.906 -10.614 -10.684 1.00 0.00 H new ATOM 568 N LYS A 105 -12.013 -8.724 -3.542 1.00 0.00 N ATOM 569 CA LYS A 105 -11.731 -9.335 -2.248 1.00 0.00 C ATOM 570 C LYS A 105 -10.851 -10.570 -2.409 1.00 0.00 C ATOM 571 O LYS A 105 -11.108 -11.612 -1.804 1.00 0.00 O ATOM 572 CB LYS A 105 -13.036 -9.713 -1.544 1.00 0.00 C ATOM 573 CG LYS A 105 -13.938 -8.526 -1.256 1.00 0.00 C ATOM 574 CD LYS A 105 -15.196 -8.948 -0.516 1.00 0.00 C ATOM 575 CE LYS A 105 -15.897 -7.756 0.118 1.00 0.00 C ATOM 576 NZ LYS A 105 -16.442 -6.824 -0.907 1.00 0.00 N ATOM 0 H LYS A 105 -11.877 -7.714 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.195 -8.606 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.578 -10.429 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.800 -10.216 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.395 -7.791 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.211 -8.040 -2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.876 -9.446 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.939 -9.673 0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.707 -8.108 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.196 -7.221 0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.912 -6.025 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.666 -6.468 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.130 -7.327 -1.503 1.00 0.00 H new ATOM 590 N LEU A 106 -9.812 -10.448 -3.228 1.00 0.00 N ATOM 591 CA LEU A 106 -8.892 -11.555 -3.467 1.00 0.00 C ATOM 592 C LEU A 106 -7.885 -11.682 -2.329 1.00 0.00 C ATOM 593 O LEU A 106 -7.876 -10.873 -1.402 1.00 0.00 O ATOM 594 CB LEU A 106 -8.157 -11.355 -4.794 1.00 0.00 C ATOM 595 CG LEU A 106 -9.040 -11.191 -6.032 1.00 0.00 C ATOM 596 CD1 LEU A 106 -8.219 -10.688 -7.210 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.723 -12.506 -6.378 1.00 0.00 C ATOM 0 H LEU A 106 -9.585 -9.594 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.474 -12.475 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.522 -10.473 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.497 -12.208 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.810 -10.452 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.864 -10.577 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.778 -9.723 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.427 -11.403 -7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.347 -12.370 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.968 -13.266 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.344 -12.825 -5.541 1.00 0.00 H new ATOM 609 N GLU A 107 -7.036 -12.702 -2.408 1.00 0.00 N ATOM 610 CA GLU A 107 -6.023 -12.934 -1.385 1.00 0.00 C ATOM 611 C GLU A 107 -4.754 -13.518 -1.997 1.00 0.00 C ATOM 612 O GLU A 107 -4.795 -14.146 -3.056 1.00 0.00 O ATOM 613 CB GLU A 107 -6.563 -13.875 -0.306 1.00 0.00 C ATOM 614 CG GLU A 107 -7.295 -13.160 0.816 1.00 0.00 C ATOM 615 CD GLU A 107 -7.820 -14.113 1.872 1.00 0.00 C ATOM 616 OE1 GLU A 107 -7.200 -15.179 2.070 1.00 0.00 O ATOM 617 OE2 GLU A 107 -8.850 -13.793 2.500 1.00 0.00 O ATOM 0 H GLU A 107 -7.030 -13.381 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 107 -5.777 -11.975 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.239 -14.594 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.734 -14.443 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.622 -12.441 1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.127 -12.593 0.398 1.00 0.00 H new ATOM 624 N TYR A 108 -3.628 -13.306 -1.325 1.00 0.00 N ATOM 625 CA TYR A 108 -2.346 -13.809 -1.804 1.00 0.00 C ATOM 626 C TYR A 108 -1.580 -14.504 -0.683 1.00 0.00 C ATOM 627 O TYR A 108 -1.497 -13.995 0.435 1.00 0.00 O ATOM 628 CB TYR A 108 -1.507 -12.664 -2.376 1.00 0.00 C ATOM 629 CG TYR A 108 -2.220 -11.867 -3.445 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.613 -12.462 -4.637 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.500 -10.519 -3.262 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.264 -11.737 -5.617 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.152 -9.786 -4.235 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.531 -10.400 -5.411 1.00 0.00 C ATOM 635 OH TYR A 108 -4.180 -9.674 -6.384 1.00 0.00 O ATOM 0 H TYR A 108 -3.577 -12.789 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.541 -14.537 -2.591 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.221 -11.994 -1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.586 -13.072 -2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.406 -13.509 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.203 -10.035 -2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.562 -12.215 -6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.364 -8.739 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.545 -8.854 -5.991 1.00 0.00 H new ATOM 645 N GLU A 109 -1.022 -15.671 -0.991 1.00 0.00 N ATOM 646 CA GLU A 109 -0.263 -16.437 -0.010 1.00 0.00 C ATOM 647 C GLU A 109 0.734 -15.544 0.725 1.00 0.00 C ATOM 648 O GLU A 109 1.472 -14.778 0.105 1.00 0.00 O ATOM 649 CB GLU A 109 0.475 -17.591 -0.691 1.00 0.00 C ATOM 650 CG GLU A 109 1.266 -18.461 0.272 1.00 0.00 C ATOM 651 CD GLU A 109 2.337 -19.278 -0.424 1.00 0.00 C ATOM 652 OE1 GLU A 109 1.981 -20.140 -1.253 1.00 0.00 O ATOM 653 OE2 GLU A 109 3.532 -19.053 -0.139 1.00 0.00 O ATOM 0 H GLU A 109 -1.082 -16.106 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.965 -16.844 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.248 -18.213 -1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.153 -17.185 -1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.731 -17.829 1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.584 -19.132 0.793 1.00 0.00 H new ATOM 660 N LYS A 110 0.748 -15.648 2.049 1.00 0.00 N ATOM 661 CA LYS A 110 1.653 -14.853 2.870 1.00 0.00 C ATOM 662 C LYS A 110 3.092 -14.986 2.380 1.00 0.00 C ATOM 663 O LYS A 110 3.677 -16.069 2.428 1.00 0.00 O ATOM 664 CB LYS A 110 1.560 -15.285 4.335 1.00 0.00 C ATOM 665 CG LYS A 110 2.277 -14.349 5.292 1.00 0.00 C ATOM 666 CD LYS A 110 1.617 -14.340 6.661 1.00 0.00 C ATOM 667 CE LYS A 110 1.746 -15.689 7.352 1.00 0.00 C ATOM 668 NZ LYS A 110 0.836 -15.800 8.525 1.00 0.00 N ATOM 0 H LYS A 110 0.142 -16.276 2.577 1.00 0.00 H new ATOM 0 HA LYS A 110 1.354 -13.808 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.510 -15.348 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.979 -16.286 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.318 -14.656 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.280 -13.339 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.073 -13.568 7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.563 -14.083 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.521 -16.484 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.776 -15.834 7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.954 -16.733 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.067 -15.057 9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.149 -15.687 8.212 1.00 0.00 H new ATOM 682 N CYS A 111 3.657 -13.879 1.911 1.00 0.00 N ATOM 683 CA CYS A 111 5.028 -13.872 1.413 1.00 0.00 C ATOM 684 C CYS A 111 6.001 -13.442 2.507 1.00 0.00 C ATOM 685 O CYS A 111 6.196 -12.250 2.743 1.00 0.00 O ATOM 686 CB CYS A 111 5.150 -12.937 0.209 1.00 0.00 C ATOM 687 SG CYS A 111 6.803 -12.923 -0.557 1.00 0.00 S ATOM 0 H CYS A 111 3.187 -12.975 1.865 1.00 0.00 H new ATOM 0 HA CYS A 111 5.282 -14.886 1.104 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.416 -13.231 -0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 111 4.898 -11.924 0.522 1.00 0.00 H new ATOM 0 HG CYS A 111 6.709 -12.508 -1.785 1.00 0.00 H new ATOM 692 N GLU A 112 6.609 -14.421 3.169 1.00 0.00 N ATOM 693 CA GLU A 112 7.562 -14.143 4.238 1.00 0.00 C ATOM 694 C GLU A 112 8.769 -13.377 3.704 1.00 0.00 C ATOM 695 O GLU A 112 9.367 -12.568 4.413 1.00 0.00 O ATOM 696 CB GLU A 112 8.020 -15.446 4.895 1.00 0.00 C ATOM 697 CG GLU A 112 6.992 -16.044 5.841 1.00 0.00 C ATOM 698 CD GLU A 112 6.006 -16.952 5.133 1.00 0.00 C ATOM 699 OE1 GLU A 112 5.103 -16.428 4.447 1.00 0.00 O ATOM 700 OE2 GLU A 112 6.136 -18.187 5.265 1.00 0.00 O ATOM 0 H GLU A 112 6.459 -15.413 2.984 1.00 0.00 H new ATOM 0 HA GLU A 112 7.062 -13.525 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.252 -16.173 4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.943 -15.261 5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 112 7.505 -16.608 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.448 -15.240 6.336 1.00 0.00 H new ATOM 707 N ARG A 113 9.123 -13.641 2.450 1.00 0.00 N ATOM 708 CA ARG A 113 10.260 -12.979 1.822 1.00 0.00 C ATOM 709 C ARG A 113 10.143 -11.463 1.945 1.00 0.00 C ATOM 710 O ARG A 113 11.137 -10.743 1.846 1.00 0.00 O ATOM 711 CB ARG A 113 10.357 -13.375 0.347 1.00 0.00 C ATOM 712 CG ARG A 113 11.105 -14.678 0.115 1.00 0.00 C ATOM 713 CD ARG A 113 10.153 -15.861 0.034 1.00 0.00 C ATOM 714 NE ARG A 113 10.858 -17.115 -0.214 1.00 0.00 N ATOM 715 CZ ARG A 113 10.302 -18.167 -0.805 1.00 0.00 C ATOM 716 NH1 ARG A 113 9.039 -18.114 -1.207 1.00 0.00 N ATOM 717 NH2 ARG A 113 11.009 -19.273 -0.996 1.00 0.00 N ATOM 0 H ARG A 113 8.639 -14.308 1.849 1.00 0.00 H new ATOM 0 HA ARG A 113 11.165 -13.300 2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.351 -13.465 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 113 10.855 -12.577 -0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.680 -14.609 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.818 -14.838 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 113 9.592 -15.939 0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 113 9.428 -15.689 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 113 11.831 -17.188 0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.493 -17.265 -1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 113 8.614 -18.923 -1.661 1.00 0.00 H new ATOM 0 HH21 ARG A 113 11.981 -19.317 -0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.581 -20.080 -1.450 1.00 0.00 H new ATOM 731 N SER A 114 8.922 -10.984 2.162 1.00 0.00 N ATOM 732 CA SER A 114 8.674 -9.553 2.295 1.00 0.00 C ATOM 733 C SER A 114 9.387 -8.774 1.194 1.00 0.00 C ATOM 734 O SER A 114 10.058 -7.776 1.458 1.00 0.00 O ATOM 735 CB SER A 114 9.136 -9.059 3.666 1.00 0.00 C ATOM 736 OG SER A 114 8.091 -9.147 4.619 1.00 0.00 O ATOM 0 H SER A 114 8.089 -11.566 2.249 1.00 0.00 H new ATOM 0 HA SER A 114 7.601 -9.385 2.199 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.988 -9.650 4.001 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.475 -8.026 3.588 1.00 0.00 H new ATOM 0 HG SER A 114 8.413 -8.827 5.488 1.00 0.00 H new ATOM 742 N CYS A 115 9.237 -9.238 -0.043 1.00 0.00 N ATOM 743 CA CYS A 115 9.866 -8.587 -1.185 1.00 0.00 C ATOM 744 C CYS A 115 9.741 -7.069 -1.083 1.00 0.00 C ATOM 745 O CYS A 115 8.855 -6.552 -0.403 1.00 0.00 O ATOM 746 CB CYS A 115 9.232 -9.075 -2.490 1.00 0.00 C ATOM 747 SG CYS A 115 9.054 -10.885 -2.598 1.00 0.00 S ATOM 0 H CYS A 115 8.685 -10.063 -0.279 1.00 0.00 H new ATOM 0 HA CYS A 115 10.924 -8.848 -1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.249 -8.617 -2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.838 -8.729 -3.327 1.00 0.00 H new ATOM 0 HG CYS A 115 8.188 -11.289 -1.717 1.00 0.00 H new ATOM 752 N LYS A 116 10.636 -6.361 -1.764 1.00 0.00 N ATOM 753 CA LYS A 116 10.626 -4.903 -1.753 1.00 0.00 C ATOM 754 C LYS A 116 10.053 -4.352 -3.055 1.00 0.00 C ATOM 755 O LYS A 116 10.653 -4.502 -4.120 1.00 0.00 O ATOM 756 CB LYS A 116 12.043 -4.365 -1.539 1.00 0.00 C ATOM 757 CG LYS A 116 12.464 -4.321 -0.080 1.00 0.00 C ATOM 758 CD LYS A 116 13.531 -3.267 0.161 1.00 0.00 C ATOM 759 CE LYS A 116 12.945 -1.864 0.132 1.00 0.00 C ATOM 760 NZ LYS A 116 12.009 -1.629 1.267 1.00 0.00 N ATOM 0 H LYS A 116 11.377 -6.773 -2.330 1.00 0.00 H new ATOM 0 HA LYS A 116 9.991 -4.575 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.746 -4.987 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.108 -3.361 -1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.596 -4.110 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.842 -5.298 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.007 -3.444 1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 116 14.308 -3.354 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.752 -1.133 0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.419 -1.710 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.883 -0.606 1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.089 -2.065 1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.401 -2.051 2.133 1.00 0.00 H new ATOM 774 N ILE A 117 8.892 -3.714 -2.962 1.00 0.00 N ATOM 775 CA ILE A 117 8.240 -3.139 -4.132 1.00 0.00 C ATOM 776 C ILE A 117 9.092 -2.034 -4.748 1.00 0.00 C ATOM 777 O ILE A 117 9.011 -0.875 -4.341 1.00 0.00 O ATOM 778 CB ILE A 117 6.854 -2.567 -3.781 1.00 0.00 C ATOM 779 CG1 ILE A 117 5.993 -3.637 -3.107 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.168 -2.037 -5.031 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.567 -4.747 -4.042 1.00 0.00 C ATOM 0 H ILE A 117 8.383 -3.582 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 117 8.118 -3.947 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 117 6.984 -1.740 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.549 -4.068 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.104 -3.166 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.189 -1.636 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.776 -1.248 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 117 6.046 -2.847 -5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 117 4.960 -5.469 -3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.983 -4.328 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.450 -5.244 -4.442 1.00 0.00 H new ATOM 793 N GLN A 118 9.906 -2.401 -5.732 1.00 0.00 N ATOM 794 CA GLN A 118 10.772 -1.440 -6.405 1.00 0.00 C ATOM 795 C GLN A 118 10.191 -1.037 -7.756 1.00 0.00 C ATOM 796 O GLN A 118 9.577 -1.850 -8.448 1.00 0.00 O ATOM 797 CB GLN A 118 12.172 -2.028 -6.593 1.00 0.00 C ATOM 798 CG GLN A 118 13.066 -1.872 -5.374 1.00 0.00 C ATOM 799 CD GLN A 118 14.508 -2.248 -5.656 1.00 0.00 C ATOM 800 OE1 GLN A 118 15.036 -3.202 -5.084 1.00 0.00 O ATOM 801 NE2 GLN A 118 15.153 -1.498 -6.541 1.00 0.00 N ATOM 0 H GLN A 118 9.984 -3.356 -6.081 1.00 0.00 H new ATOM 0 HA GLN A 118 10.840 -0.550 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.083 -3.087 -6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.648 -1.545 -7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 118 13.025 -0.839 -5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.683 -2.495 -4.565 1.00 0.00 H new ATOM 0 HE21 GLN A 118 14.676 -0.717 -6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 118 16.125 -1.703 -6.771 1.00 0.00 H new ATOM 810 N LYS A 119 10.389 0.223 -8.127 1.00 0.00 N ATOM 811 CA LYS A 119 9.886 0.736 -9.396 1.00 0.00 C ATOM 812 C LYS A 119 10.371 -0.123 -10.560 1.00 0.00 C ATOM 813 O LYS A 119 9.606 -0.440 -11.472 1.00 0.00 O ATOM 814 CB LYS A 119 10.332 2.186 -9.598 1.00 0.00 C ATOM 815 CG LYS A 119 10.179 2.676 -11.027 1.00 0.00 C ATOM 816 CD LYS A 119 10.895 3.999 -11.242 1.00 0.00 C ATOM 817 CE LYS A 119 12.380 3.794 -11.500 1.00 0.00 C ATOM 818 NZ LYS A 119 13.038 5.044 -11.972 1.00 0.00 N ATOM 0 H LYS A 119 10.895 0.909 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 119 8.797 0.699 -9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.752 2.831 -8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.376 2.281 -9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.578 1.929 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.121 2.791 -11.262 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.447 4.523 -12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.761 4.633 -10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.864 3.452 -10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.514 3.009 -12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.049 4.863 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.593 5.357 -12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.932 5.786 -11.251 1.00 0.00 H new ATOM 832 N LYS A 120 11.645 -0.497 -10.523 1.00 0.00 N ATOM 833 CA LYS A 120 12.232 -1.321 -11.573 1.00 0.00 C ATOM 834 C LYS A 120 11.483 -2.643 -11.710 1.00 0.00 C ATOM 835 O LYS A 120 11.290 -3.146 -12.815 1.00 0.00 O ATOM 836 CB LYS A 120 13.709 -1.587 -11.274 1.00 0.00 C ATOM 837 CG LYS A 120 13.936 -2.427 -10.029 1.00 0.00 C ATOM 838 CD LYS A 120 14.068 -3.903 -10.368 1.00 0.00 C ATOM 839 CE LYS A 120 15.520 -4.294 -10.599 1.00 0.00 C ATOM 840 NZ LYS A 120 15.686 -5.769 -10.711 1.00 0.00 N ATOM 0 H LYS A 120 12.292 -0.242 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 120 12.150 -0.779 -12.515 1.00 0.00 H new ATOM 0 HB2 LYS A 120 14.159 -2.091 -12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 120 14.225 -0.634 -11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.838 -2.088 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.106 -2.285 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.653 -4.502 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.484 -4.126 -11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.884 -3.817 -11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.132 -3.921 -9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 16.689 -5.995 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.362 -6.222 -9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 15.123 -6.122 -11.511 1.00 0.00 H new ATOM 854 N ASN A 121 11.064 -3.199 -10.578 1.00 0.00 N ATOM 855 CA ASN A 121 10.335 -4.463 -10.572 1.00 0.00 C ATOM 856 C ASN A 121 9.778 -4.763 -9.184 1.00 0.00 C ATOM 857 O ASN A 121 10.526 -4.857 -8.211 1.00 0.00 O ATOM 858 CB ASN A 121 11.248 -5.604 -11.026 1.00 0.00 C ATOM 859 CG ASN A 121 11.405 -5.654 -12.533 1.00 0.00 C ATOM 860 OD1 ASN A 121 12.508 -5.504 -13.059 1.00 0.00 O ATOM 861 ND2 ASN A 121 10.299 -5.866 -13.237 1.00 0.00 N ATOM 0 H ASN A 121 11.216 -2.795 -9.654 1.00 0.00 H new ATOM 0 HA ASN A 121 9.500 -4.376 -11.268 1.00 0.00 H new ATOM 0 HB2 ASN A 121 12.229 -5.486 -10.565 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.842 -6.552 -10.674 1.00 0.00 H new ATOM 0 HD21 ASN A 121 10.343 -5.910 -14.255 1.00 0.00 H new ATOM 0 HD22 ASN A 121 9.406 -5.985 -12.760 1.00 0.00 H new ATOM 868 N ARG A 122 8.460 -4.914 -9.101 1.00 0.00 N ATOM 869 CA ARG A 122 7.803 -5.203 -7.832 1.00 0.00 C ATOM 870 C ARG A 122 8.084 -6.636 -7.389 1.00 0.00 C ATOM 871 O ARG A 122 7.592 -7.083 -6.354 1.00 0.00 O ATOM 872 CB ARG A 122 6.294 -4.982 -7.953 1.00 0.00 C ATOM 873 CG ARG A 122 5.912 -3.546 -8.274 1.00 0.00 C ATOM 874 CD ARG A 122 6.100 -3.236 -9.751 1.00 0.00 C ATOM 875 NE ARG A 122 5.155 -2.228 -10.223 1.00 0.00 N ATOM 876 CZ ARG A 122 5.318 -1.535 -11.345 1.00 0.00 C ATOM 877 NH1 ARG A 122 6.385 -1.741 -12.105 1.00 0.00 N ATOM 878 NH2 ARG A 122 4.414 -0.635 -11.708 1.00 0.00 N ATOM 0 H ARG A 122 7.827 -4.841 -9.897 1.00 0.00 H new ATOM 0 HA ARG A 122 8.204 -4.523 -7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.901 -5.636 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.816 -5.276 -7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.873 -3.374 -7.994 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.519 -2.865 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.118 -2.886 -9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.976 -4.150 -10.332 1.00 0.00 H new ATOM 0 HE ARG A 122 4.324 -2.046 -9.660 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.082 -2.432 -11.829 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.508 -1.208 -12.966 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.592 -0.474 -11.126 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.541 -0.104 -12.570 1.00 0.00 H new ATOM 892 N ASN A 123 8.877 -7.350 -8.180 1.00 0.00 N ATOM 893 CA ASN A 123 9.223 -8.732 -7.869 1.00 0.00 C ATOM 894 C ASN A 123 8.050 -9.664 -8.157 1.00 0.00 C ATOM 895 O ASN A 123 7.825 -10.638 -7.437 1.00 0.00 O ATOM 896 CB ASN A 123 9.642 -8.858 -6.403 1.00 0.00 C ATOM 897 CG ASN A 123 10.700 -9.924 -6.193 1.00 0.00 C ATOM 898 OD1 ASN A 123 10.784 -10.888 -6.954 1.00 0.00 O ATOM 899 ND2 ASN A 123 11.513 -9.755 -5.157 1.00 0.00 N ATOM 0 H ASN A 123 9.292 -6.995 -9.041 1.00 0.00 H new ATOM 0 HA ASN A 123 10.060 -9.023 -8.504 1.00 0.00 H new ATOM 0 HB2 ASN A 123 10.023 -7.898 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 123 8.767 -9.094 -5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 123 12.244 -10.440 -4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 123 11.406 -8.940 -4.553 1.00 0.00 H new ATOM 906 N LYS A 124 7.304 -9.359 -9.214 1.00 0.00 N ATOM 907 CA LYS A 124 6.155 -10.169 -9.599 1.00 0.00 C ATOM 908 C LYS A 124 5.440 -10.720 -8.369 1.00 0.00 C ATOM 909 O LYS A 124 4.956 -11.852 -8.375 1.00 0.00 O ATOM 910 CB LYS A 124 6.597 -11.321 -10.504 1.00 0.00 C ATOM 911 CG LYS A 124 7.260 -10.864 -11.791 1.00 0.00 C ATOM 912 CD LYS A 124 7.732 -12.043 -12.625 1.00 0.00 C ATOM 913 CE LYS A 124 9.129 -12.489 -12.220 1.00 0.00 C ATOM 914 NZ LYS A 124 9.093 -13.506 -11.133 1.00 0.00 N ATOM 0 H LYS A 124 7.475 -8.556 -9.819 1.00 0.00 H new ATOM 0 HA LYS A 124 5.460 -9.532 -10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 124 7.290 -11.958 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 124 5.729 -11.932 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.557 -10.266 -12.371 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.108 -10.221 -11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.036 -12.874 -12.509 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.728 -11.769 -13.680 1.00 0.00 H new ATOM 0 HE2 LYS A 124 9.644 -12.902 -13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.705 -11.624 -11.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.574 -13.131 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.105 -13.727 -10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.575 -14.371 -11.451 1.00 0.00 H new ATOM 928 N CYS A 125 5.377 -9.912 -7.316 1.00 0.00 N ATOM 929 CA CYS A 125 4.721 -10.317 -6.079 1.00 0.00 C ATOM 930 C CYS A 125 3.420 -9.546 -5.875 1.00 0.00 C ATOM 931 O CYS A 125 3.405 -8.316 -5.909 1.00 0.00 O ATOM 932 CB CYS A 125 5.652 -10.093 -4.886 1.00 0.00 C ATOM 933 SG CYS A 125 5.341 -11.208 -3.480 1.00 0.00 S ATOM 0 H CYS A 125 5.773 -8.972 -7.295 1.00 0.00 H new ATOM 0 HA CYS A 125 4.486 -11.379 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.683 -10.220 -5.215 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.550 -9.062 -4.548 1.00 0.00 H new ATOM 0 HG CYS A 125 5.668 -10.611 -2.372 1.00 0.00 H new ATOM 938 N GLN A 126 2.331 -10.279 -5.663 1.00 0.00 N ATOM 939 CA GLN A 126 1.026 -9.663 -5.454 1.00 0.00 C ATOM 940 C GLN A 126 0.825 -9.299 -3.986 1.00 0.00 C ATOM 941 O GLN A 126 0.343 -8.212 -3.667 1.00 0.00 O ATOM 942 CB GLN A 126 -0.086 -10.608 -5.914 1.00 0.00 C ATOM 943 CG GLN A 126 -0.322 -10.582 -7.416 1.00 0.00 C ATOM 944 CD GLN A 126 0.950 -10.799 -8.210 1.00 0.00 C ATOM 945 OE1 GLN A 126 1.633 -9.845 -8.583 1.00 0.00 O ATOM 946 NE2 GLN A 126 1.276 -12.059 -8.475 1.00 0.00 N ATOM 0 H GLN A 126 2.327 -11.299 -5.632 1.00 0.00 H new ATOM 0 HA GLN A 126 0.984 -8.748 -6.045 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.164 -11.625 -5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.012 -10.342 -5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -1.046 -11.353 -7.680 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.761 -9.624 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.681 -12.820 -8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.121 -12.266 -9.007 1.00 0.00 H new ATOM 955 N TYR A 127 1.196 -10.214 -3.098 1.00 0.00 N ATOM 956 CA TYR A 127 1.053 -9.990 -1.665 1.00 0.00 C ATOM 957 C TYR A 127 1.825 -8.749 -1.228 1.00 0.00 C ATOM 958 O TYR A 127 1.235 -7.748 -0.819 1.00 0.00 O ATOM 959 CB TYR A 127 1.545 -11.211 -0.885 1.00 0.00 C ATOM 960 CG TYR A 127 1.584 -10.998 0.611 1.00 0.00 C ATOM 961 CD1 TYR A 127 0.466 -11.246 1.398 1.00 0.00 C ATOM 962 CD2 TYR A 127 2.741 -10.550 1.239 1.00 0.00 C ATOM 963 CE1 TYR A 127 0.498 -11.052 2.765 1.00 0.00 C ATOM 964 CE2 TYR A 127 2.781 -10.355 2.606 1.00 0.00 C ATOM 965 CZ TYR A 127 1.657 -10.607 3.364 1.00 0.00 C ATOM 966 OH TYR A 127 1.693 -10.414 4.727 1.00 0.00 O ATOM 0 H TYR A 127 1.598 -11.118 -3.345 1.00 0.00 H new ATOM 0 HA TYR A 127 -0.004 -9.832 -1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 127 0.896 -12.059 -1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.544 -11.475 -1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -0.443 -11.596 0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.623 -10.351 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -0.381 -11.248 3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 127 3.688 -10.007 3.078 1.00 0.00 H new ATOM 0 HH TYR A 127 2.583 -10.099 4.989 1.00 0.00 H new ATOM 976 N CYS A 128 3.149 -8.821 -1.318 1.00 0.00 N ATOM 977 CA CYS A 128 4.004 -7.705 -0.933 1.00 0.00 C ATOM 978 C CYS A 128 3.444 -6.385 -1.457 1.00 0.00 C ATOM 979 O CYS A 128 3.595 -5.340 -0.824 1.00 0.00 O ATOM 980 CB CYS A 128 5.423 -7.916 -1.464 1.00 0.00 C ATOM 981 SG CYS A 128 6.372 -9.186 -0.565 1.00 0.00 S ATOM 0 H CYS A 128 3.653 -9.641 -1.655 1.00 0.00 H new ATOM 0 HA CYS A 128 4.033 -7.661 0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.368 -8.196 -2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.963 -6.970 -1.413 1.00 0.00 H new ATOM 0 HG CYS A 128 5.976 -9.229 0.672 1.00 0.00 H new ATOM 986 N ARG A 129 2.798 -6.442 -2.617 1.00 0.00 N ATOM 987 CA ARG A 129 2.217 -5.252 -3.227 1.00 0.00 C ATOM 988 C ARG A 129 1.064 -4.716 -2.382 1.00 0.00 C ATOM 989 O ARG A 129 0.955 -3.511 -2.155 1.00 0.00 O ATOM 990 CB ARG A 129 1.725 -5.566 -4.641 1.00 0.00 C ATOM 991 CG ARG A 129 1.183 -4.353 -5.380 1.00 0.00 C ATOM 992 CD ARG A 129 2.277 -3.644 -6.163 1.00 0.00 C ATOM 993 NE ARG A 129 2.569 -4.315 -7.427 1.00 0.00 N ATOM 994 CZ ARG A 129 1.785 -4.239 -8.497 1.00 0.00 C ATOM 995 NH1 ARG A 129 0.669 -3.525 -8.456 1.00 0.00 N ATOM 996 NH2 ARG A 129 2.119 -4.878 -9.611 1.00 0.00 N ATOM 0 H ARG A 129 2.664 -7.299 -3.153 1.00 0.00 H new ATOM 0 HA ARG A 129 2.991 -4.487 -3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.546 -5.994 -5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.945 -6.325 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.390 -4.664 -6.060 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.737 -3.660 -4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.973 -2.616 -6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.183 -3.598 -5.559 1.00 0.00 H new ATOM 0 HE ARG A 129 3.421 -4.872 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.410 -3.032 -7.601 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.069 -3.469 -9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 129 2.978 -5.428 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.517 -4.820 -10.432 1.00 0.00 H new ATOM 1010 N PHE A 130 0.206 -5.619 -1.921 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.939 -5.238 -1.103 1.00 0.00 C ATOM 1012 C PHE A 130 -0.488 -4.744 0.268 1.00 0.00 C ATOM 1013 O PHE A 130 -0.984 -3.735 0.770 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.895 -6.422 -0.941 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.272 -6.024 -0.494 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -4.090 -5.266 -1.316 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.749 -6.408 0.749 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.358 -4.898 -0.908 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -5.017 -6.044 1.162 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.822 -5.287 0.334 1.00 0.00 C ATOM 0 H PHE A 130 0.282 -6.620 -2.100 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.460 -4.426 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.969 -6.951 -1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.475 -7.121 -0.218 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.732 -4.959 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -3.123 -6.998 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.985 -4.307 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.378 -6.352 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.812 -5.000 0.656 1.00 0.00 H new ATOM 1030 N GLN A 131 0.455 -5.462 0.869 1.00 0.00 N ATOM 1031 CA GLN A 131 0.973 -5.098 2.183 1.00 0.00 C ATOM 1032 C GLN A 131 1.390 -3.631 2.215 1.00 0.00 C ATOM 1033 O GLN A 131 0.926 -2.861 3.057 1.00 0.00 O ATOM 1034 CB GLN A 131 2.162 -5.987 2.550 1.00 0.00 C ATOM 1035 CG GLN A 131 1.760 -7.310 3.181 1.00 0.00 C ATOM 1036 CD GLN A 131 1.234 -7.147 4.594 1.00 0.00 C ATOM 1037 OE1 GLN A 131 1.885 -6.542 5.445 1.00 0.00 O ATOM 1038 NE2 GLN A 131 0.049 -7.689 4.850 1.00 0.00 N ATOM 0 H GLN A 131 0.876 -6.299 0.467 1.00 0.00 H new ATOM 0 HA GLN A 131 0.178 -5.247 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.748 -6.185 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.810 -5.447 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.996 -7.784 2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.621 -7.979 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -0.456 -8.182 4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -0.356 -7.612 5.783 1.00 0.00 H new ATOM 1047 N LYS A 132 2.268 -3.250 1.295 1.00 0.00 N ATOM 1048 CA LYS A 132 2.748 -1.876 1.217 1.00 0.00 C ATOM 1049 C LYS A 132 1.582 -0.894 1.164 1.00 0.00 C ATOM 1050 O LYS A 132 1.473 0.000 2.004 1.00 0.00 O ATOM 1051 CB LYS A 132 3.638 -1.693 -0.015 1.00 0.00 C ATOM 1052 CG LYS A 132 4.395 -0.377 -0.030 1.00 0.00 C ATOM 1053 CD LYS A 132 5.722 -0.504 -0.759 1.00 0.00 C ATOM 1054 CE LYS A 132 6.551 0.765 -0.634 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.974 0.536 -1.008 1.00 0.00 N ATOM 0 H LYS A 132 2.663 -3.874 0.592 1.00 0.00 H new ATOM 0 HA LYS A 132 3.333 -1.671 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.353 -2.514 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.021 -1.757 -0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.786 0.388 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.572 -0.046 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.282 -1.347 -0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.541 -0.719 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.128 1.540 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.499 1.133 0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.506 1.424 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.386 -0.185 -0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 8.026 0.209 -1.994 1.00 0.00 H new ATOM 1069 N CYS A 133 0.712 -1.068 0.175 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.447 -0.197 0.015 1.00 0.00 C ATOM 1071 C CYS A 133 -1.108 0.082 1.361 1.00 0.00 C ATOM 1072 O CYS A 133 -1.497 1.214 1.651 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.458 -0.831 -0.942 1.00 0.00 C ATOM 1074 SG CYS A 133 -0.994 -0.722 -2.686 1.00 0.00 S ATOM 0 H CYS A 133 0.787 -1.804 -0.528 1.00 0.00 H new ATOM 0 HA CYS A 133 -0.105 0.749 -0.404 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.585 -1.880 -0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.425 -0.348 -0.804 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.329 0.445 -3.152 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.234 -0.957 2.179 1.00 0.00 N ATOM 1081 CA LEU A 134 -1.849 -0.824 3.495 1.00 0.00 C ATOM 1082 C LEU A 134 -0.983 0.026 4.418 1.00 0.00 C ATOM 1083 O LEU A 134 -1.488 0.876 5.151 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.075 -2.204 4.115 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.101 -3.096 3.415 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -3.098 -4.491 4.021 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.489 -2.479 3.498 1.00 0.00 C ATOM 0 H LEU A 134 -0.919 -1.901 1.954 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.811 -0.326 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.121 -2.731 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.388 -2.068 5.150 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.825 -3.179 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.834 -5.111 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -2.109 -4.935 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.349 -4.428 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.206 -3.127 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.775 -2.365 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.482 -1.502 3.015 1.00 0.00 H new ATOM 1099 N ALA A 135 0.325 -0.209 4.376 1.00 0.00 N ATOM 1100 CA ALA A 135 1.262 0.538 5.206 1.00 0.00 C ATOM 1101 C ALA A 135 1.288 2.012 4.814 1.00 0.00 C ATOM 1102 O ALA A 135 1.430 2.889 5.667 1.00 0.00 O ATOM 1103 CB ALA A 135 2.656 -0.063 5.100 1.00 0.00 C ATOM 0 H ALA A 135 0.759 -0.911 3.776 1.00 0.00 H new ATOM 0 HA ALA A 135 0.927 0.470 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.345 0.505 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.632 -1.100 5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.991 -0.025 4.063 1.00 0.00 H new ATOM 1109 N LEU A 136 1.151 2.277 3.520 1.00 0.00 N ATOM 1110 CA LEU A 136 1.160 3.646 3.015 1.00 0.00 C ATOM 1111 C LEU A 136 0.019 4.457 3.621 1.00 0.00 C ATOM 1112 O LEU A 136 0.110 5.677 3.747 1.00 0.00 O ATOM 1113 CB LEU A 136 1.048 3.648 1.489 1.00 0.00 C ATOM 1114 CG LEU A 136 2.285 3.175 0.725 1.00 0.00 C ATOM 1115 CD1 LEU A 136 2.008 3.143 -0.770 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.475 4.072 1.030 1.00 0.00 C ATOM 0 H LEU A 136 1.032 1.563 2.801 1.00 0.00 H new ATOM 0 HA LEU A 136 2.104 4.108 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.207 3.016 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.810 4.661 1.163 1.00 0.00 H new ATOM 0 HG LEU A 136 2.526 2.163 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.899 2.804 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.184 2.459 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.742 4.143 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.347 3.721 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.245 5.095 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.687 4.044 2.099 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.056 3.770 3.996 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.198 4.442 4.587 1.00 0.00 C ATOM 1130 C GLY A 137 -3.397 4.469 3.660 1.00 0.00 C ATOM 1131 O GLY A 137 -4.406 5.108 3.959 1.00 0.00 O ATOM 0 H GLY A 137 -1.156 2.759 3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.471 3.940 5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.920 5.463 4.847 1.00 0.00 H new ATOM 1135 N MET A 138 -3.287 3.775 2.532 1.00 0.00 N ATOM 1136 CA MET A 138 -4.372 3.723 1.559 1.00 0.00 C ATOM 1137 C MET A 138 -5.676 3.290 2.221 1.00 0.00 C ATOM 1138 O MET A 138 -5.793 2.166 2.708 1.00 0.00 O ATOM 1139 CB MET A 138 -4.020 2.762 0.422 1.00 0.00 C ATOM 1140 CG MET A 138 -3.030 3.338 -0.577 1.00 0.00 C ATOM 1141 SD MET A 138 -2.406 2.100 -1.730 1.00 0.00 S ATOM 1142 CE MET A 138 -2.453 3.017 -3.268 1.00 0.00 C ATOM 0 H MET A 138 -2.458 3.241 2.269 1.00 0.00 H new ATOM 0 HA MET A 138 -4.508 4.724 1.150 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.605 1.847 0.846 1.00 0.00 H new ATOM 0 HB3 MET A 138 -4.934 2.484 -0.104 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.510 4.141 -1.137 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.193 3.782 -0.038 1.00 0.00 H new ATOM 0 HE1 MET A 138 -2.374 2.325 -4.107 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.393 3.565 -3.337 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.621 3.720 -3.298 1.00 0.00 H new ATOM 1152 N SER A 139 -6.655 4.190 2.236 1.00 0.00 N ATOM 1153 CA SER A 139 -7.949 3.902 2.842 1.00 0.00 C ATOM 1154 C SER A 139 -8.790 3.012 1.931 1.00 0.00 C ATOM 1155 O SER A 139 -9.074 3.368 0.787 1.00 0.00 O ATOM 1156 CB SER A 139 -8.699 5.202 3.137 1.00 0.00 C ATOM 1157 OG SER A 139 -8.801 6.007 1.974 1.00 0.00 O ATOM 0 H SER A 139 -6.576 5.125 1.835 1.00 0.00 H new ATOM 0 HA SER A 139 -7.774 3.372 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.696 4.973 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.181 5.754 3.921 1.00 0.00 H new ATOM 0 HG SER A 139 -8.875 5.432 1.184 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.185 1.853 2.447 1.00 0.00 N ATOM 1164 CA HIS A 140 -9.994 0.911 1.682 1.00 0.00 C ATOM 1165 C HIS A 140 -11.400 1.459 1.457 1.00 0.00 C ATOM 1166 O HIS A 140 -11.917 1.429 0.342 1.00 0.00 O ATOM 1167 CB HIS A 140 -10.068 -0.435 2.404 1.00 0.00 C ATOM 1168 CG HIS A 140 -10.860 -0.390 3.675 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -10.373 0.150 4.846 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -12.112 -0.820 3.953 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -11.291 0.048 5.790 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -12.357 -0.537 5.274 1.00 0.00 N ATOM 0 H HIS A 140 -8.958 1.543 3.392 1.00 0.00 H new ATOM 0 HA HIS A 140 -9.519 0.768 0.711 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -10.511 -1.173 1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -9.057 -0.774 2.628 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -12.793 -1.297 3.264 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -11.188 0.386 6.811 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -13.221 -0.745 5.775 1.00 0.00 H new