USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=21 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 -129:sc= -0.069 USER MOD Set 1.2: A 115 CYS SG : rot 128:sc= 0.837 USER MOD Set 1.3: A 124 LYS NZ :NH3+ -152:sc= 0.0801 (180deg=0) USER MOD Set 1.4: A 125 CYS SG : rot -156:sc= 0.746 USER MOD Set 1.5: A 128 CYS SG : rot 137:sc= -1.96 USER MOD Set 2.1: A 101 THR OG1 : rot 72:sc= 0.656 USER MOD Set 2.2: A 108 TYR OH : rot -78:sc= 0.675 USER MOD Set 2.3: A 126 GLN : amide:sc= -1.46! C(o=-0.13!,f=-1.3!) USER MOD Set 3.1: A 74 CYS SG : rot 156:sc= 0.174 USER MOD Set 3.2: A 77 CYS SG : rot -54:sc= 0.0258 USER MOD Set 3.3: A 91 CYS SG : rot -129:sc= 1.18 USER MOD Set 3.4: A 94 CYS SG : rot 82:sc= -2.25 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) 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 64:sc= 0.908 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.0335 K(o=-0.034,f=-1.4) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -164:sc= -0.0236 (180deg=-0.188) USER MOD Single : A 121 ASN : amide:sc=-0.00309 K(o=-0.0031,f=-0.89) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.8) USER MOD Single : A 132 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.259) USER MOD Single : A 133 CYS SG : rot -97:sc= 0.0691 USER MOD Single : A 138 MET CE :methyl -149:sc= -0.632 (180deg=-4.04!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.057 11.061 -7.754 1.00 0.00 N ATOM 84 CA GLU A 73 6.344 9.691 -8.164 1.00 0.00 C ATOM 85 C GLU A 73 5.576 8.693 -7.302 1.00 0.00 C ATOM 86 O GLU A 73 5.469 8.858 -6.086 1.00 0.00 O ATOM 87 CB GLU A 73 7.846 9.411 -8.071 1.00 0.00 C ATOM 88 CG GLU A 73 8.352 9.271 -6.645 1.00 0.00 C ATOM 89 CD GLU A 73 9.847 9.494 -6.532 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.317 10.577 -6.940 1.00 0.00 O ATOM 91 OE2 GLU A 73 10.547 8.586 -6.037 1.00 0.00 O ATOM 0 HA GLU A 73 6.023 9.574 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.071 8.496 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.389 10.218 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.833 9.986 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.108 8.276 -6.273 1.00 0.00 H new ATOM 98 N CYS A 74 5.041 7.658 -7.941 1.00 0.00 N ATOM 99 CA CYS A 74 4.281 6.633 -7.235 1.00 0.00 C ATOM 100 C CYS A 74 4.988 6.222 -5.946 1.00 0.00 C ATOM 101 O CYS A 74 6.214 6.282 -5.853 1.00 0.00 O ATOM 102 CB CYS A 74 4.080 5.409 -8.131 1.00 0.00 C ATOM 103 SG CYS A 74 3.032 4.114 -7.397 1.00 0.00 S ATOM 0 H CYS A 74 5.120 7.507 -8.947 1.00 0.00 H new ATOM 0 HA CYS A 74 3.308 7.051 -6.978 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.635 5.731 -9.073 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.054 4.982 -8.368 1.00 0.00 H new ATOM 0 HG CYS A 74 2.498 3.400 -8.343 1.00 0.00 H new ATOM 108 N ARG A 75 4.206 5.805 -4.956 1.00 0.00 N ATOM 109 CA ARG A 75 4.756 5.385 -3.673 1.00 0.00 C ATOM 110 C ARG A 75 4.803 3.863 -3.573 1.00 0.00 C ATOM 111 O ARG A 75 5.614 3.303 -2.834 1.00 0.00 O ATOM 112 CB ARG A 75 3.922 5.956 -2.525 1.00 0.00 C ATOM 113 CG ARG A 75 3.679 7.452 -2.635 1.00 0.00 C ATOM 114 CD ARG A 75 4.787 8.248 -1.962 1.00 0.00 C ATOM 115 NE ARG A 75 5.904 8.503 -2.867 1.00 0.00 N ATOM 116 CZ ARG A 75 6.874 9.373 -2.610 1.00 0.00 C ATOM 117 NH1 ARG A 75 6.864 10.069 -1.481 1.00 0.00 N ATOM 118 NH2 ARG A 75 7.858 9.550 -3.484 1.00 0.00 N ATOM 0 H ARG A 75 3.189 5.749 -5.018 1.00 0.00 H new ATOM 0 HA ARG A 75 5.774 5.768 -3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.961 5.442 -2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.426 5.747 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.613 7.735 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.721 7.701 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.386 9.196 -1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.145 7.704 -1.088 1.00 0.00 H new ATOM 0 HE ARG A 75 5.941 7.985 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.110 9.937 -0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.611 10.736 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.869 9.017 -4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.602 10.218 -3.285 1.00 0.00 H new ATOM 132 N VAL A 76 3.929 3.199 -4.322 1.00 0.00 N ATOM 133 CA VAL A 76 3.871 1.742 -4.319 1.00 0.00 C ATOM 134 C VAL A 76 5.026 1.144 -5.115 1.00 0.00 C ATOM 135 O VAL A 76 5.826 0.373 -4.584 1.00 0.00 O ATOM 136 CB VAL A 76 2.540 1.232 -4.905 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.443 -0.280 -4.772 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.363 1.912 -4.222 1.00 0.00 C ATOM 0 H VAL A 76 3.251 3.647 -4.939 1.00 0.00 H new ATOM 0 HA VAL A 76 3.947 1.424 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 76 2.510 1.482 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.497 -0.622 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.268 -0.746 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.495 -0.557 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.431 1.540 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.386 1.694 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.427 2.989 -4.374 1.00 0.00 H new ATOM 148 N CYS A 77 5.108 1.505 -6.391 1.00 0.00 N ATOM 149 CA CYS A 77 6.165 1.005 -7.261 1.00 0.00 C ATOM 150 C CYS A 77 7.285 2.032 -7.401 1.00 0.00 C ATOM 151 O CYS A 77 8.465 1.684 -7.391 1.00 0.00 O ATOM 152 CB CYS A 77 5.598 0.661 -8.640 1.00 0.00 C ATOM 153 SG CYS A 77 5.208 2.113 -9.668 1.00 0.00 S ATOM 0 H CYS A 77 4.454 2.143 -6.846 1.00 0.00 H new ATOM 0 HA CYS A 77 6.578 0.103 -6.809 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.316 0.036 -9.171 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.693 0.067 -8.511 1.00 0.00 H new ATOM 0 HG CYS A 77 4.421 2.912 -9.010 1.00 0.00 H new ATOM 158 N GLY A 78 6.906 3.299 -7.532 1.00 0.00 N ATOM 159 CA GLY A 78 7.889 4.357 -7.672 1.00 0.00 C ATOM 160 C GLY A 78 7.739 5.120 -8.974 1.00 0.00 C ATOM 161 O GLY A 78 7.885 6.342 -9.006 1.00 0.00 O ATOM 0 H GLY A 78 5.935 3.612 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.794 5.050 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.890 3.928 -7.619 1.00 0.00 H new ATOM 165 N ASP A 79 7.449 4.398 -10.050 1.00 0.00 N ATOM 166 CA ASP A 79 7.280 5.014 -11.361 1.00 0.00 C ATOM 167 C ASP A 79 6.478 6.307 -11.255 1.00 0.00 C ATOM 168 O ASP A 79 5.654 6.467 -10.354 1.00 0.00 O ATOM 169 CB ASP A 79 6.583 4.045 -12.318 1.00 0.00 C ATOM 170 CG ASP A 79 6.384 4.637 -13.699 1.00 0.00 C ATOM 171 OD1 ASP A 79 7.351 4.636 -14.489 1.00 0.00 O ATOM 172 OD2 ASP A 79 5.262 5.103 -13.990 1.00 0.00 O ATOM 0 H ASP A 79 7.326 3.385 -10.041 1.00 0.00 H new ATOM 0 HA ASP A 79 8.269 5.252 -11.753 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.173 3.132 -12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.615 3.763 -11.904 1.00 0.00 H new ATOM 177 N LYS A 80 6.727 7.229 -12.179 1.00 0.00 N ATOM 178 CA LYS A 80 6.029 8.509 -12.190 1.00 0.00 C ATOM 179 C LYS A 80 4.585 8.346 -11.729 1.00 0.00 C ATOM 180 O LYS A 80 3.900 7.404 -12.125 1.00 0.00 O ATOM 181 CB LYS A 80 6.062 9.119 -13.593 1.00 0.00 C ATOM 182 CG LYS A 80 5.787 10.613 -13.614 1.00 0.00 C ATOM 183 CD LYS A 80 5.142 11.043 -14.921 1.00 0.00 C ATOM 184 CE LYS A 80 4.675 12.489 -14.862 1.00 0.00 C ATOM 185 NZ LYS A 80 3.579 12.758 -15.834 1.00 0.00 N ATOM 0 H LYS A 80 7.407 7.113 -12.930 1.00 0.00 H new ATOM 0 HA LYS A 80 6.539 9.178 -11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.039 8.932 -14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.325 8.614 -14.217 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.134 10.875 -12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.720 11.158 -13.471 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.855 10.923 -15.737 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.294 10.394 -15.140 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.331 12.719 -13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.516 13.151 -15.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.289 13.754 -15.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.915 12.563 -16.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.767 12.145 -15.620 1.00 0.00 H new ATOM 199 N ALA A 81 4.128 9.270 -10.890 1.00 0.00 N ATOM 200 CA ALA A 81 2.764 9.230 -10.379 1.00 0.00 C ATOM 201 C ALA A 81 1.804 9.954 -11.317 1.00 0.00 C ATOM 202 O ALA A 81 2.144 10.988 -11.892 1.00 0.00 O ATOM 203 CB ALA A 81 2.704 9.840 -8.986 1.00 0.00 C ATOM 0 H ALA A 81 4.683 10.055 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 81 2.455 8.186 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.679 9.803 -8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.352 9.277 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.038 10.877 -9.028 1.00 0.00 H new ATOM 209 N SER A 82 0.603 9.404 -11.467 1.00 0.00 N ATOM 210 CA SER A 82 -0.405 9.995 -12.340 1.00 0.00 C ATOM 211 C SER A 82 -1.303 10.952 -11.562 1.00 0.00 C ATOM 212 O SER A 82 -1.676 12.014 -12.059 1.00 0.00 O ATOM 213 CB SER A 82 -1.251 8.900 -12.992 1.00 0.00 C ATOM 214 OG SER A 82 -2.233 9.456 -13.849 1.00 0.00 O ATOM 0 H SER A 82 0.304 8.550 -10.995 1.00 0.00 H new ATOM 0 HA SER A 82 0.109 10.558 -13.119 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.607 8.228 -13.559 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.735 8.302 -12.220 1.00 0.00 H new ATOM 0 HG SER A 82 -2.759 8.735 -14.254 1.00 0.00 H new ATOM 220 N GLY A 83 -1.647 10.567 -10.337 1.00 0.00 N ATOM 221 CA GLY A 83 -2.499 11.400 -9.509 1.00 0.00 C ATOM 222 C GLY A 83 -2.397 11.052 -8.037 1.00 0.00 C ATOM 223 O GLY A 83 -1.412 10.456 -7.599 1.00 0.00 O ATOM 0 H GLY A 83 -1.351 9.693 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.228 12.446 -9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.534 11.292 -9.834 1.00 0.00 H new ATOM 227 N PHE A 84 -3.415 11.427 -7.270 1.00 0.00 N ATOM 228 CA PHE A 84 -3.435 11.153 -5.838 1.00 0.00 C ATOM 229 C PHE A 84 -4.671 10.344 -5.456 1.00 0.00 C ATOM 230 O PHE A 84 -5.714 10.905 -5.117 1.00 0.00 O ATOM 231 CB PHE A 84 -3.403 12.462 -5.046 1.00 0.00 C ATOM 232 CG PHE A 84 -2.858 12.308 -3.655 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.682 11.610 -3.431 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.521 12.861 -2.572 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.178 11.467 -2.152 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.022 12.722 -1.290 1.00 0.00 C ATOM 237 CZ PHE A 84 -1.848 12.024 -1.080 1.00 0.00 C ATOM 0 H PHE A 84 -4.237 11.922 -7.616 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.549 10.567 -5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.797 13.190 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.413 12.868 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.153 11.173 -4.265 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.439 13.407 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.261 10.920 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.549 13.158 -0.454 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.455 11.914 -0.080 1.00 0.00 H new ATOM 247 N HIS A 85 -4.547 9.021 -5.514 1.00 0.00 N ATOM 248 CA HIS A 85 -5.653 8.134 -5.174 1.00 0.00 C ATOM 249 C HIS A 85 -5.413 7.457 -3.828 1.00 0.00 C ATOM 250 O HIS A 85 -4.291 7.061 -3.513 1.00 0.00 O ATOM 251 CB HIS A 85 -5.841 7.078 -6.263 1.00 0.00 C ATOM 252 CG HIS A 85 -5.758 7.630 -7.653 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.755 8.394 -8.220 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.787 7.525 -8.590 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.402 8.735 -9.447 1.00 0.00 C ATOM 256 NE2 HIS A 85 -5.211 8.221 -9.696 1.00 0.00 N ATOM 0 H HIS A 85 -3.692 8.541 -5.793 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.559 8.735 -5.102 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.083 6.304 -6.142 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.810 6.598 -6.129 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.853 6.993 -8.487 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.988 9.332 -10.130 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.691 8.324 -10.567 1.00 0.00 H new ATOM 264 N TYR A 86 -6.474 7.328 -3.038 1.00 0.00 N ATOM 265 CA TYR A 86 -6.377 6.702 -1.725 1.00 0.00 C ATOM 266 C TYR A 86 -5.491 7.524 -0.793 1.00 0.00 C ATOM 267 O TYR A 86 -4.865 6.987 0.120 1.00 0.00 O ATOM 268 CB TYR A 86 -5.823 5.282 -1.853 1.00 0.00 C ATOM 269 CG TYR A 86 -6.460 4.482 -2.967 1.00 0.00 C ATOM 270 CD1 TYR A 86 -7.599 3.719 -2.737 1.00 0.00 C ATOM 271 CD2 TYR A 86 -5.923 4.487 -4.248 1.00 0.00 C ATOM 272 CE1 TYR A 86 -8.184 2.986 -3.751 1.00 0.00 C ATOM 273 CE2 TYR A 86 -6.502 3.758 -5.268 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.632 3.009 -5.015 1.00 0.00 C ATOM 275 OH TYR A 86 -8.211 2.280 -6.028 1.00 0.00 O ATOM 0 H TYR A 86 -7.410 7.649 -3.284 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.379 6.657 -1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.748 5.334 -2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.971 4.757 -0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.034 3.699 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.037 5.071 -4.450 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -9.069 2.398 -3.555 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.072 3.774 -6.259 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.700 2.406 -6.855 1.00 0.00 H new ATOM 285 N GLY A 87 -5.445 8.831 -1.032 1.00 0.00 N ATOM 286 CA GLY A 87 -4.635 9.707 -0.206 1.00 0.00 C ATOM 287 C GLY A 87 -3.157 9.381 -0.292 1.00 0.00 C ATOM 288 O GLY A 87 -2.378 9.762 0.582 1.00 0.00 O ATOM 0 H GLY A 87 -5.954 9.298 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.794 10.741 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.962 9.628 0.831 1.00 0.00 H new ATOM 292 N VAL A 88 -2.769 8.671 -1.347 1.00 0.00 N ATOM 293 CA VAL A 88 -1.375 8.293 -1.543 1.00 0.00 C ATOM 294 C VAL A 88 -0.964 8.448 -3.003 1.00 0.00 C ATOM 295 O VAL A 88 -1.726 8.119 -3.913 1.00 0.00 O ATOM 296 CB VAL A 88 -1.120 6.840 -1.102 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.672 5.864 -2.130 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.366 6.605 -0.875 1.00 0.00 C ATOM 0 H VAL A 88 -3.401 8.346 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.776 8.963 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.640 6.669 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.482 4.842 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.746 6.017 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.184 6.032 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.528 5.573 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.910 6.794 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.726 7.279 -0.098 1.00 0.00 H new ATOM 308 N HIS A 89 0.247 8.952 -3.221 1.00 0.00 N ATOM 309 CA HIS A 89 0.761 9.150 -4.572 1.00 0.00 C ATOM 310 C HIS A 89 0.996 7.812 -5.265 1.00 0.00 C ATOM 311 O HIS A 89 2.077 7.232 -5.166 1.00 0.00 O ATOM 312 CB HIS A 89 2.062 9.953 -4.532 1.00 0.00 C ATOM 313 CG HIS A 89 1.852 11.436 -4.557 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.792 12.207 -3.416 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.689 12.289 -5.595 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.599 13.470 -3.750 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.534 13.547 -5.067 1.00 0.00 N ATOM 0 H HIS A 89 0.890 9.231 -2.480 1.00 0.00 H new ATOM 0 HA HIS A 89 0.016 9.707 -5.140 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.615 9.688 -3.631 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.682 9.668 -5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.682 12.029 -6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.510 14.299 -3.063 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.392 14.402 -5.605 1.00 0.00 H new ATOM 325 N ALA A 90 -0.023 7.327 -5.967 1.00 0.00 N ATOM 326 CA ALA A 90 0.073 6.059 -6.678 1.00 0.00 C ATOM 327 C ALA A 90 -0.121 6.254 -8.177 1.00 0.00 C ATOM 328 O ALA A 90 -0.720 7.237 -8.614 1.00 0.00 O ATOM 329 CB ALA A 90 -0.949 5.071 -6.135 1.00 0.00 C ATOM 0 H ALA A 90 -0.925 7.794 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 90 1.073 5.656 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.866 4.128 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.762 4.900 -5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.952 5.477 -6.265 1.00 0.00 H new ATOM 335 N CYS A 91 0.389 5.311 -8.963 1.00 0.00 N ATOM 336 CA CYS A 91 0.274 5.379 -10.414 1.00 0.00 C ATOM 337 C CYS A 91 -0.926 4.572 -10.903 1.00 0.00 C ATOM 338 O CYS A 91 -1.571 3.869 -10.126 1.00 0.00 O ATOM 339 CB CYS A 91 1.553 4.861 -11.074 1.00 0.00 C ATOM 340 SG CYS A 91 1.809 3.066 -10.892 1.00 0.00 S ATOM 0 H CYS A 91 0.886 4.490 -8.618 1.00 0.00 H new ATOM 0 HA CYS A 91 0.127 6.422 -10.693 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.527 5.108 -12.135 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.408 5.384 -10.646 1.00 0.00 H new ATOM 0 HG CYS A 91 3.009 2.842 -10.445 1.00 0.00 H new ATOM 345 N GLU A 92 -1.217 4.679 -12.196 1.00 0.00 N ATOM 346 CA GLU A 92 -2.339 3.960 -12.787 1.00 0.00 C ATOM 347 C GLU A 92 -2.219 2.460 -12.533 1.00 0.00 C ATOM 348 O GLU A 92 -3.169 1.816 -12.091 1.00 0.00 O ATOM 349 CB GLU A 92 -2.411 4.230 -14.292 1.00 0.00 C ATOM 350 CG GLU A 92 -2.921 5.618 -14.637 1.00 0.00 C ATOM 351 CD GLU A 92 -3.333 5.743 -16.092 1.00 0.00 C ATOM 352 OE1 GLU A 92 -4.471 5.347 -16.422 1.00 0.00 O ATOM 353 OE2 GLU A 92 -2.518 6.236 -16.899 1.00 0.00 O ATOM 0 H GLU A 92 -0.692 5.256 -12.853 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.255 4.318 -12.317 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.419 4.099 -14.724 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.061 3.488 -14.755 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.773 5.857 -14.000 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.144 6.351 -14.419 1.00 0.00 H new ATOM 360 N GLY A 93 -1.042 1.911 -12.817 1.00 0.00 N ATOM 361 CA GLY A 93 -0.818 0.491 -12.615 1.00 0.00 C ATOM 362 C GLY A 93 -1.179 0.041 -11.213 1.00 0.00 C ATOM 363 O GLY A 93 -2.169 -0.664 -11.015 1.00 0.00 O ATOM 0 H GLY A 93 -0.240 2.424 -13.183 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.408 -0.073 -13.338 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.229 0.260 -12.809 1.00 0.00 H new ATOM 367 N CYS A 94 -0.375 0.448 -10.237 1.00 0.00 N ATOM 368 CA CYS A 94 -0.613 0.081 -8.846 1.00 0.00 C ATOM 369 C CYS A 94 -2.044 0.414 -8.433 1.00 0.00 C ATOM 370 O CYS A 94 -2.737 -0.409 -7.836 1.00 0.00 O ATOM 371 CB CYS A 94 0.375 0.805 -7.930 1.00 0.00 C ATOM 372 SG CYS A 94 2.125 0.490 -8.327 1.00 0.00 S ATOM 0 H CYS A 94 0.448 1.033 -10.384 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.466 -0.995 -8.750 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.188 1.877 -7.987 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.187 0.503 -6.900 1.00 0.00 H new ATOM 0 HG CYS A 94 2.496 1.269 -9.300 1.00 0.00 H new ATOM 377 N LYS A 95 -2.480 1.627 -8.756 1.00 0.00 N ATOM 378 CA LYS A 95 -3.828 2.070 -8.421 1.00 0.00 C ATOM 379 C LYS A 95 -4.845 0.964 -8.683 1.00 0.00 C ATOM 380 O LYS A 95 -5.672 0.652 -7.827 1.00 0.00 O ATOM 381 CB LYS A 95 -4.194 3.316 -9.232 1.00 0.00 C ATOM 382 CG LYS A 95 -5.654 3.716 -9.107 1.00 0.00 C ATOM 383 CD LYS A 95 -6.141 4.444 -10.348 1.00 0.00 C ATOM 384 CE LYS A 95 -7.643 4.675 -10.305 1.00 0.00 C ATOM 385 NZ LYS A 95 -8.199 4.965 -11.656 1.00 0.00 N ATOM 0 H LYS A 95 -1.919 2.321 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.849 2.315 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.569 4.148 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.964 3.136 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.263 2.827 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.783 4.356 -8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.627 5.401 -10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.886 3.864 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.134 3.794 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.863 5.506 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.225 5.116 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.749 5.820 -12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.011 4.161 -12.289 1.00 0.00 H new ATOM 399 N GLY A 96 -4.777 0.372 -9.872 1.00 0.00 N ATOM 400 CA GLY A 96 -5.697 -0.694 -10.224 1.00 0.00 C ATOM 401 C GLY A 96 -5.537 -1.913 -9.339 1.00 0.00 C ATOM 402 O GLY A 96 -6.471 -2.312 -8.643 1.00 0.00 O ATOM 0 H GLY A 96 -4.101 0.612 -10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.720 -0.326 -10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.536 -0.980 -11.264 1.00 0.00 H new ATOM 406 N PHE A 97 -4.349 -2.510 -9.364 1.00 0.00 N ATOM 407 CA PHE A 97 -4.071 -3.694 -8.559 1.00 0.00 C ATOM 408 C PHE A 97 -4.741 -3.592 -7.192 1.00 0.00 C ATOM 409 O PHE A 97 -5.602 -4.402 -6.848 1.00 0.00 O ATOM 410 CB PHE A 97 -2.562 -3.876 -8.387 1.00 0.00 C ATOM 411 CG PHE A 97 -2.196 -4.943 -7.396 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.069 -4.643 -6.050 1.00 0.00 C ATOM 413 CD2 PHE A 97 -1.978 -6.247 -7.811 1.00 0.00 C ATOM 414 CE1 PHE A 97 -1.732 -5.622 -5.134 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.643 -7.232 -6.900 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.518 -6.919 -5.561 1.00 0.00 C ATOM 0 H PHE A 97 -3.564 -2.193 -9.933 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.478 -4.561 -9.080 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.121 -4.122 -9.353 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.124 -2.930 -8.069 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.235 -3.631 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.071 -6.497 -8.858 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.636 -5.374 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.479 -8.245 -7.236 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.253 -7.686 -4.849 1.00 0.00 H new ATOM 426 N PHE A 98 -4.340 -2.590 -6.416 1.00 0.00 N ATOM 427 CA PHE A 98 -4.900 -2.382 -5.086 1.00 0.00 C ATOM 428 C PHE A 98 -6.422 -2.489 -5.114 1.00 0.00 C ATOM 429 O PHE A 98 -7.013 -3.275 -4.373 1.00 0.00 O ATOM 430 CB PHE A 98 -4.483 -1.014 -4.542 1.00 0.00 C ATOM 431 CG PHE A 98 -4.968 -0.751 -3.146 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.451 -1.460 -2.073 1.00 0.00 C ATOM 433 CD2 PHE A 98 -5.942 0.205 -2.905 1.00 0.00 C ATOM 434 CE1 PHE A 98 -4.895 -1.220 -0.786 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.390 0.449 -1.620 1.00 0.00 C ATOM 436 CZ PHE A 98 -5.866 -0.265 -0.560 1.00 0.00 C ATOM 0 H PHE A 98 -3.629 -1.910 -6.686 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.511 -3.160 -4.429 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.396 -0.941 -4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.866 -0.237 -5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.692 -2.209 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.356 0.766 -3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.483 -1.779 0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.149 1.197 -1.445 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.215 -0.076 0.444 1.00 0.00 H new ATOM 446 N ARG A 99 -7.049 -1.692 -5.973 1.00 0.00 N ATOM 447 CA ARG A 99 -8.502 -1.695 -6.096 1.00 0.00 C ATOM 448 C ARG A 99 -9.019 -3.098 -6.403 1.00 0.00 C ATOM 449 O ARG A 99 -9.714 -3.705 -5.589 1.00 0.00 O ATOM 450 CB ARG A 99 -8.944 -0.726 -7.195 1.00 0.00 C ATOM 451 CG ARG A 99 -10.373 -0.235 -7.035 1.00 0.00 C ATOM 452 CD ARG A 99 -10.872 0.449 -8.298 1.00 0.00 C ATOM 453 NE ARG A 99 -12.238 0.943 -8.150 1.00 0.00 N ATOM 454 CZ ARG A 99 -12.771 1.876 -8.931 1.00 0.00 C ATOM 455 NH1 ARG A 99 -12.056 2.413 -9.910 1.00 0.00 N ATOM 456 NH2 ARG A 99 -14.021 2.274 -8.734 1.00 0.00 N ATOM 0 H ARG A 99 -6.574 -1.036 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.923 -1.371 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.272 0.133 -7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.844 -1.217 -8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.023 -1.076 -6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.428 0.460 -6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.211 1.280 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.829 -0.252 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.815 0.550 -7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.094 2.110 -10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.468 3.129 -10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.574 1.864 -7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.429 2.991 -9.335 1.00 0.00 H new ATOM 470 N ARG A 100 -8.674 -3.605 -7.582 1.00 0.00 N ATOM 471 CA ARG A 100 -9.105 -4.935 -7.997 1.00 0.00 C ATOM 472 C ARG A 100 -9.060 -5.911 -6.825 1.00 0.00 C ATOM 473 O ARG A 100 -10.022 -6.635 -6.567 1.00 0.00 O ATOM 474 CB ARG A 100 -8.222 -5.448 -9.136 1.00 0.00 C ATOM 475 CG ARG A 100 -8.482 -6.900 -9.501 1.00 0.00 C ATOM 476 CD ARG A 100 -8.154 -7.175 -10.960 1.00 0.00 C ATOM 477 NE ARG A 100 -8.177 -8.602 -11.267 1.00 0.00 N ATOM 478 CZ ARG A 100 -8.202 -9.088 -12.504 1.00 0.00 C ATOM 479 NH1 ARG A 100 -8.207 -8.265 -13.543 1.00 0.00 N ATOM 480 NH2 ARG A 100 -8.222 -10.400 -12.702 1.00 0.00 N ATOM 0 H ARG A 100 -8.098 -3.115 -8.266 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.134 -4.863 -8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.382 -4.826 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.176 -5.335 -8.852 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.882 -7.550 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.527 -7.143 -9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.870 -6.656 -11.597 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.169 -6.770 -11.193 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.174 -9.262 -10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.192 -7.256 -13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.226 -8.641 -14.491 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.218 -11.036 -11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.241 -10.772 -13.651 1.00 0.00 H new ATOM 494 N THR A 101 -7.935 -5.926 -6.116 1.00 0.00 N ATOM 495 CA THR A 101 -7.763 -6.814 -4.973 1.00 0.00 C ATOM 496 C THR A 101 -8.857 -6.591 -3.935 1.00 0.00 C ATOM 497 O THR A 101 -9.337 -7.538 -3.312 1.00 0.00 O ATOM 498 CB THR A 101 -6.389 -6.612 -4.307 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.345 -6.831 -5.262 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.214 -7.560 -3.130 1.00 0.00 C ATOM 0 H THR A 101 -7.129 -5.333 -6.314 1.00 0.00 H new ATOM 0 HA THR A 101 -7.828 -7.834 -5.352 1.00 0.00 H new ATOM 0 HB THR A 101 -6.335 -5.587 -3.939 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.318 -6.083 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.236 -7.399 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.993 -7.371 -2.392 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.287 -8.590 -3.479 1.00 0.00 H new ATOM 508 N ILE A 102 -9.246 -5.333 -3.753 1.00 0.00 N ATOM 509 CA ILE A 102 -10.285 -4.987 -2.791 1.00 0.00 C ATOM 510 C ILE A 102 -11.671 -5.308 -3.339 1.00 0.00 C ATOM 511 O ILE A 102 -12.369 -6.179 -2.819 1.00 0.00 O ATOM 512 CB ILE A 102 -10.228 -3.495 -2.414 1.00 0.00 C ATOM 513 CG1 ILE A 102 -8.876 -3.158 -1.781 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.365 -3.145 -1.466 1.00 0.00 C ATOM 515 CD1 ILE A 102 -8.630 -3.868 -0.468 1.00 0.00 C ATOM 0 H ILE A 102 -8.857 -4.537 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.102 -5.587 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.341 -2.901 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.081 -3.419 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.818 -2.082 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.311 -2.087 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.319 -3.353 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.280 -3.744 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.654 -3.582 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.403 -3.588 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.656 -4.946 -0.627 1.00 0.00 H new ATOM 527 N ARG A 103 -12.063 -4.601 -4.394 1.00 0.00 N ATOM 528 CA ARG A 103 -13.366 -4.811 -5.013 1.00 0.00 C ATOM 529 C ARG A 103 -13.666 -6.300 -5.156 1.00 0.00 C ATOM 530 O ARG A 103 -14.825 -6.714 -5.141 1.00 0.00 O ATOM 531 CB ARG A 103 -13.417 -4.135 -6.385 1.00 0.00 C ATOM 532 CG ARG A 103 -12.295 -4.563 -7.316 1.00 0.00 C ATOM 533 CD ARG A 103 -12.624 -4.245 -8.767 1.00 0.00 C ATOM 534 NE ARG A 103 -12.759 -2.809 -8.995 1.00 0.00 N ATOM 535 CZ ARG A 103 -13.920 -2.164 -8.949 1.00 0.00 C ATOM 536 NH1 ARG A 103 -15.039 -2.823 -8.684 1.00 0.00 N ATOM 537 NH2 ARG A 103 -13.962 -0.856 -9.168 1.00 0.00 N ATOM 0 H ARG A 103 -11.497 -3.878 -4.838 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.123 -4.366 -4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.374 -4.359 -6.856 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.374 -3.054 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.372 -4.058 -7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.119 -5.633 -7.208 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.840 -4.642 -9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.551 -4.745 -9.047 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.917 -2.272 -9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -15.011 -3.828 -8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -15.928 -2.325 -8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.103 -0.345 -9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.853 -0.361 -9.133 1.00 0.00 H new ATOM 551 N MET A 104 -12.614 -7.100 -5.295 1.00 0.00 N ATOM 552 CA MET A 104 -12.765 -8.543 -5.440 1.00 0.00 C ATOM 553 C MET A 104 -12.530 -9.251 -4.110 1.00 0.00 C ATOM 554 O MET A 104 -12.984 -10.377 -3.905 1.00 0.00 O ATOM 555 CB MET A 104 -11.792 -9.076 -6.494 1.00 0.00 C ATOM 556 CG MET A 104 -11.993 -8.465 -7.871 1.00 0.00 C ATOM 557 SD MET A 104 -11.150 -9.387 -9.170 1.00 0.00 S ATOM 558 CE MET A 104 -12.524 -10.270 -9.905 1.00 0.00 C ATOM 0 H MET A 104 -11.648 -6.773 -5.310 1.00 0.00 H new ATOM 0 HA MET A 104 -13.786 -8.745 -5.763 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.771 -8.882 -6.165 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.904 -10.158 -6.566 1.00 0.00 H new ATOM 0 HG2 MET A 104 -13.059 -8.424 -8.094 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.629 -7.438 -7.865 1.00 0.00 H new ATOM 0 HE1 MET A 104 -12.162 -10.887 -10.727 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.992 -10.905 -9.153 1.00 0.00 H new ATOM 0 HE3 MET A 104 -13.256 -9.556 -10.282 1.00 0.00 H new ATOM 568 N LYS A 105 -11.818 -8.584 -3.208 1.00 0.00 N ATOM 569 CA LYS A 105 -11.522 -9.148 -1.896 1.00 0.00 C ATOM 570 C LYS A 105 -10.665 -10.403 -2.024 1.00 0.00 C ATOM 571 O LYS A 105 -10.952 -11.429 -1.405 1.00 0.00 O ATOM 572 CB LYS A 105 -12.821 -9.477 -1.156 1.00 0.00 C ATOM 573 CG LYS A 105 -13.733 -8.278 -0.965 1.00 0.00 C ATOM 574 CD LYS A 105 -13.327 -7.455 0.246 1.00 0.00 C ATOM 575 CE LYS A 105 -14.210 -6.227 0.408 1.00 0.00 C ATOM 576 NZ LYS A 105 -14.348 -5.827 1.836 1.00 0.00 N ATOM 0 H LYS A 105 -11.435 -7.651 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.964 -8.406 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.359 -10.247 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.577 -9.896 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.704 -7.652 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.762 -8.618 -0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.390 -8.071 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.287 -7.145 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.788 -5.399 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.196 -6.431 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.957 -4.987 1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.774 -6.608 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.410 -5.607 2.227 1.00 0.00 H new ATOM 590 N LEU A 106 -9.612 -10.316 -2.829 1.00 0.00 N ATOM 591 CA LEU A 106 -8.712 -11.445 -3.037 1.00 0.00 C ATOM 592 C LEU A 106 -7.701 -11.551 -1.899 1.00 0.00 C ATOM 593 O LEU A 106 -7.279 -10.543 -1.336 1.00 0.00 O ATOM 594 CB LEU A 106 -7.980 -11.300 -4.372 1.00 0.00 C ATOM 595 CG LEU A 106 -8.862 -11.049 -5.596 1.00 0.00 C ATOM 596 CD1 LEU A 106 -8.014 -10.628 -6.787 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.675 -12.290 -5.931 1.00 0.00 C ATOM 0 H LEU A 106 -9.360 -9.475 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.310 -12.356 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.269 -10.478 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.400 -12.206 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.553 -10.239 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.658 -10.454 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.476 -9.711 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.299 -11.417 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.297 -12.093 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.001 -13.120 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.311 -12.548 -5.084 1.00 0.00 H new ATOM 609 N GLU A 107 -7.317 -12.781 -1.569 1.00 0.00 N ATOM 610 CA GLU A 107 -6.354 -13.018 -0.500 1.00 0.00 C ATOM 611 C GLU A 107 -5.082 -13.660 -1.046 1.00 0.00 C ATOM 612 O GLU A 107 -5.084 -14.244 -2.130 1.00 0.00 O ATOM 613 CB GLU A 107 -6.968 -13.913 0.579 1.00 0.00 C ATOM 614 CG GLU A 107 -7.080 -15.372 0.169 1.00 0.00 C ATOM 615 CD GLU A 107 -8.407 -15.691 -0.493 1.00 0.00 C ATOM 616 OE1 GLU A 107 -9.442 -15.174 -0.024 1.00 0.00 O ATOM 617 OE2 GLU A 107 -8.410 -16.458 -1.478 1.00 0.00 O ATOM 0 H GLU A 107 -7.658 -13.627 -2.026 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.094 -12.056 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.364 -13.844 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.960 -13.538 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.268 -15.617 -0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.956 -16.003 1.049 1.00 0.00 H new ATOM 624 N TYR A 108 -3.998 -13.548 -0.287 1.00 0.00 N ATOM 625 CA TYR A 108 -2.718 -14.114 -0.695 1.00 0.00 C ATOM 626 C TYR A 108 -1.987 -14.725 0.497 1.00 0.00 C ATOM 627 O TYR A 108 -2.096 -14.237 1.621 1.00 0.00 O ATOM 628 CB TYR A 108 -1.845 -13.039 -1.346 1.00 0.00 C ATOM 629 CG TYR A 108 -2.507 -12.349 -2.517 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.867 -13.060 -3.656 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.774 -10.986 -2.485 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.471 -12.434 -4.728 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.379 -10.351 -3.553 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.726 -11.079 -4.672 1.00 0.00 C ATOM 635 OH TYR A 108 -4.329 -10.452 -5.737 1.00 0.00 O ATOM 0 H TYR A 108 -3.980 -13.070 0.614 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.914 -14.903 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.583 -12.293 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.913 -13.494 -1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.671 -14.121 -3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.504 -10.413 -1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.742 -13.002 -5.606 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.579 -9.290 -3.512 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.667 -10.298 -6.443 1.00 0.00 H new ATOM 645 N GLU A 109 -1.242 -15.795 0.241 1.00 0.00 N ATOM 646 CA GLU A 109 -0.493 -16.473 1.293 1.00 0.00 C ATOM 647 C GLU A 109 0.439 -15.501 2.011 1.00 0.00 C ATOM 648 O GLU A 109 0.741 -14.422 1.501 1.00 0.00 O ATOM 649 CB GLU A 109 0.316 -17.633 0.707 1.00 0.00 C ATOM 650 CG GLU A 109 1.265 -17.214 -0.402 1.00 0.00 C ATOM 651 CD GLU A 109 1.694 -18.378 -1.274 1.00 0.00 C ATOM 652 OE1 GLU A 109 0.867 -18.848 -2.084 1.00 0.00 O ATOM 653 OE2 GLU A 109 2.854 -18.820 -1.146 1.00 0.00 O ATOM 0 H GLU A 109 -1.141 -16.211 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.207 -16.866 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.889 -18.105 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.371 -18.385 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.782 -16.459 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.148 -16.749 0.037 1.00 0.00 H new ATOM 660 N LYS A 110 0.889 -15.890 3.198 1.00 0.00 N ATOM 661 CA LYS A 110 1.787 -15.056 3.988 1.00 0.00 C ATOM 662 C LYS A 110 3.213 -15.133 3.454 1.00 0.00 C ATOM 663 O LYS A 110 3.837 -16.195 3.471 1.00 0.00 O ATOM 664 CB LYS A 110 1.757 -15.486 5.456 1.00 0.00 C ATOM 665 CG LYS A 110 2.576 -14.590 6.369 1.00 0.00 C ATOM 666 CD LYS A 110 2.299 -14.885 7.834 1.00 0.00 C ATOM 667 CE LYS A 110 2.487 -13.647 8.697 1.00 0.00 C ATOM 668 NZ LYS A 110 2.405 -13.966 10.150 1.00 0.00 N ATOM 0 H LYS A 110 0.646 -16.779 3.635 1.00 0.00 H new ATOM 0 HA LYS A 110 1.445 -14.024 3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.723 -15.496 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.129 -16.508 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.637 -14.731 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.346 -13.546 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.280 -15.256 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.965 -15.675 8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.455 -13.195 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.726 -12.909 8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.538 -13.096 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.472 -14.374 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.147 -14.651 10.397 1.00 0.00 H new ATOM 682 N CYS A 111 3.725 -14.002 2.980 1.00 0.00 N ATOM 683 CA CYS A 111 5.079 -13.941 2.441 1.00 0.00 C ATOM 684 C CYS A 111 6.023 -13.251 3.421 1.00 0.00 C ATOM 685 O CYS A 111 5.876 -12.064 3.709 1.00 0.00 O ATOM 686 CB CYS A 111 5.085 -13.201 1.103 1.00 0.00 C ATOM 687 SG CYS A 111 6.635 -13.376 0.163 1.00 0.00 S ATOM 0 H CYS A 111 3.222 -13.115 2.958 1.00 0.00 H new ATOM 0 HA CYS A 111 5.428 -14.962 2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.260 -13.568 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 111 4.901 -12.142 1.285 1.00 0.00 H new ATOM 0 HG CYS A 111 7.060 -12.201 -0.196 1.00 0.00 H new ATOM 692 N GLU A 112 6.994 -14.004 3.929 1.00 0.00 N ATOM 693 CA GLU A 112 7.962 -13.465 4.877 1.00 0.00 C ATOM 694 C GLU A 112 9.122 -12.794 4.147 1.00 0.00 C ATOM 695 O GLU A 112 9.733 -11.856 4.660 1.00 0.00 O ATOM 696 CB GLU A 112 8.492 -14.576 5.786 1.00 0.00 C ATOM 697 CG GLU A 112 7.400 -15.322 6.535 1.00 0.00 C ATOM 698 CD GLU A 112 6.805 -14.506 7.666 1.00 0.00 C ATOM 699 OE1 GLU A 112 7.337 -14.578 8.793 1.00 0.00 O ATOM 700 OE2 GLU A 112 5.808 -13.794 7.422 1.00 0.00 O ATOM 0 H GLU A 112 7.131 -14.988 3.700 1.00 0.00 H new ATOM 0 HA GLU A 112 7.457 -12.716 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.059 -15.287 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.186 -14.144 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.610 -15.598 5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.809 -16.249 6.937 1.00 0.00 H new ATOM 707 N ARG A 113 9.419 -13.281 2.947 1.00 0.00 N ATOM 708 CA ARG A 113 10.506 -12.730 2.146 1.00 0.00 C ATOM 709 C ARG A 113 10.381 -11.214 2.029 1.00 0.00 C ATOM 710 O ARG A 113 11.364 -10.517 1.776 1.00 0.00 O ATOM 711 CB ARG A 113 10.513 -13.362 0.753 1.00 0.00 C ATOM 712 CG ARG A 113 11.342 -14.632 0.664 1.00 0.00 C ATOM 713 CD ARG A 113 11.630 -15.010 -0.780 1.00 0.00 C ATOM 714 NE ARG A 113 12.346 -16.279 -0.882 1.00 0.00 N ATOM 715 CZ ARG A 113 12.531 -16.928 -2.026 1.00 0.00 C ATOM 716 NH1 ARG A 113 12.056 -16.430 -3.160 1.00 0.00 N ATOM 717 NH2 ARG A 113 13.194 -18.078 -2.038 1.00 0.00 N ATOM 0 H ARG A 113 8.922 -14.056 2.508 1.00 0.00 H new ATOM 0 HA ARG A 113 11.446 -12.962 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.487 -13.587 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 113 10.897 -12.636 0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.281 -14.493 1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.813 -15.448 1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 113 10.692 -15.078 -1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.219 -14.223 -1.250 1.00 0.00 H new ATOM 0 HE ARG A 113 12.725 -16.689 -0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.547 -15.546 -3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.200 -16.931 -4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.562 -18.464 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.336 -18.576 -2.917 1.00 0.00 H new ATOM 731 N SER A 114 9.165 -10.710 2.213 1.00 0.00 N ATOM 732 CA SER A 114 8.910 -9.277 2.123 1.00 0.00 C ATOM 733 C SER A 114 9.464 -8.707 0.821 1.00 0.00 C ATOM 734 O SER A 114 10.077 -7.639 0.808 1.00 0.00 O ATOM 735 CB SER A 114 9.533 -8.551 3.317 1.00 0.00 C ATOM 736 OG SER A 114 9.065 -9.089 4.542 1.00 0.00 O ATOM 0 H SER A 114 8.341 -11.273 2.425 1.00 0.00 H new ATOM 0 HA SER A 114 7.831 -9.123 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.619 -8.634 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.292 -7.489 3.267 1.00 0.00 H new ATOM 0 HG SER A 114 9.359 -10.020 4.624 1.00 0.00 H new ATOM 742 N CYS A 115 9.243 -9.427 -0.274 1.00 0.00 N ATOM 743 CA CYS A 115 9.719 -8.996 -1.582 1.00 0.00 C ATOM 744 C CYS A 115 9.624 -7.479 -1.723 1.00 0.00 C ATOM 745 O CYS A 115 8.633 -6.868 -1.321 1.00 0.00 O ATOM 746 CB CYS A 115 8.912 -9.674 -2.691 1.00 0.00 C ATOM 747 SG CYS A 115 8.638 -11.455 -2.428 1.00 0.00 S ATOM 0 H CYS A 115 8.737 -10.312 -0.281 1.00 0.00 H new ATOM 0 HA CYS A 115 10.765 -9.287 -1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.946 -9.178 -2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.429 -9.533 -3.640 1.00 0.00 H new ATOM 0 HG CYS A 115 7.370 -11.720 -2.537 1.00 0.00 H new ATOM 752 N LYS A 116 10.660 -6.877 -2.297 1.00 0.00 N ATOM 753 CA LYS A 116 10.694 -5.433 -2.493 1.00 0.00 C ATOM 754 C LYS A 116 10.076 -5.051 -3.834 1.00 0.00 C ATOM 755 O LYS A 116 10.650 -5.318 -4.891 1.00 0.00 O ATOM 756 CB LYS A 116 12.135 -4.921 -2.419 1.00 0.00 C ATOM 757 CG LYS A 116 12.239 -3.448 -2.064 1.00 0.00 C ATOM 758 CD LYS A 116 13.623 -3.098 -1.543 1.00 0.00 C ATOM 759 CE LYS A 116 13.857 -3.670 -0.154 1.00 0.00 C ATOM 760 NZ LYS A 116 15.084 -3.109 0.478 1.00 0.00 N ATOM 0 H LYS A 116 11.488 -7.368 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 116 10.109 -4.970 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.681 -5.504 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.622 -5.090 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.017 -2.844 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.492 -3.201 -1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.379 -3.483 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.739 -2.015 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.994 -3.457 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.945 -4.755 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.208 -3.524 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.911 -3.334 -0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.990 -2.077 0.563 1.00 0.00 H new ATOM 774 N ILE A 117 8.905 -4.426 -3.784 1.00 0.00 N ATOM 775 CA ILE A 117 8.211 -4.006 -4.996 1.00 0.00 C ATOM 776 C ILE A 117 8.992 -2.920 -5.728 1.00 0.00 C ATOM 777 O ILE A 117 9.019 -1.767 -5.301 1.00 0.00 O ATOM 778 CB ILE A 117 6.797 -3.482 -4.682 1.00 0.00 C ATOM 779 CG1 ILE A 117 6.021 -4.509 -3.854 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.054 -3.161 -5.970 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.714 -5.784 -4.607 1.00 0.00 C ATOM 0 H ILE A 117 8.416 -4.199 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 117 8.130 -4.886 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 117 6.886 -2.566 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.596 -4.753 -2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.086 -4.061 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.056 -2.792 -5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.600 -2.398 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.972 -4.063 -6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.163 -6.465 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.112 -5.552 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.646 -6.255 -4.920 1.00 0.00 H new ATOM 793 N GLN A 118 9.625 -3.298 -6.834 1.00 0.00 N ATOM 794 CA GLN A 118 10.406 -2.356 -7.627 1.00 0.00 C ATOM 795 C GLN A 118 9.640 -1.929 -8.875 1.00 0.00 C ATOM 796 O GLN A 118 8.668 -2.572 -9.270 1.00 0.00 O ATOM 797 CB GLN A 118 11.745 -2.979 -8.024 1.00 0.00 C ATOM 798 CG GLN A 118 12.705 -3.154 -6.858 1.00 0.00 C ATOM 799 CD GLN A 118 13.774 -4.193 -7.133 1.00 0.00 C ATOM 800 OE1 GLN A 118 13.855 -4.741 -8.233 1.00 0.00 O ATOM 801 NE2 GLN A 118 14.603 -4.469 -6.133 1.00 0.00 N ATOM 0 H GLN A 118 9.612 -4.250 -7.201 1.00 0.00 H new ATOM 0 HA GLN A 118 10.591 -1.472 -7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.562 -3.951 -8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.217 -2.353 -8.781 1.00 0.00 H new ATOM 0 HG2 GLN A 118 13.181 -2.198 -6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.143 -3.443 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 118 14.499 -3.991 -5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 118 15.343 -5.159 -6.260 1.00 0.00 H new ATOM 810 N LYS A 119 10.085 -0.839 -9.491 1.00 0.00 N ATOM 811 CA LYS A 119 9.442 -0.324 -10.695 1.00 0.00 C ATOM 812 C LYS A 119 9.537 -1.333 -11.835 1.00 0.00 C ATOM 813 O LYS A 119 8.567 -1.562 -12.557 1.00 0.00 O ATOM 814 CB LYS A 119 10.086 0.999 -11.115 1.00 0.00 C ATOM 815 CG LYS A 119 11.583 0.898 -11.353 1.00 0.00 C ATOM 816 CD LYS A 119 12.168 2.229 -11.796 1.00 0.00 C ATOM 817 CE LYS A 119 13.534 2.051 -12.440 1.00 0.00 C ATOM 818 NZ LYS A 119 14.089 3.343 -12.930 1.00 0.00 N ATOM 0 H LYS A 119 10.888 -0.295 -9.177 1.00 0.00 H new ATOM 0 HA LYS A 119 8.389 -0.153 -10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.605 1.355 -12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.899 1.746 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.076 0.569 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.781 0.141 -12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.491 2.708 -12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.254 2.894 -10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.222 1.611 -11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.455 1.351 -13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 15.021 3.179 -13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.446 3.751 -13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.189 4.003 -12.132 1.00 0.00 H new ATOM 832 N LYS A 120 10.711 -1.935 -11.990 1.00 0.00 N ATOM 833 CA LYS A 120 10.933 -2.922 -13.040 1.00 0.00 C ATOM 834 C LYS A 120 10.029 -4.135 -12.846 1.00 0.00 C ATOM 835 O LYS A 120 9.316 -4.543 -13.763 1.00 0.00 O ATOM 836 CB LYS A 120 12.398 -3.362 -13.055 1.00 0.00 C ATOM 837 CG LYS A 120 13.365 -2.246 -13.410 1.00 0.00 C ATOM 838 CD LYS A 120 14.775 -2.773 -13.615 1.00 0.00 C ATOM 839 CE LYS A 120 15.635 -1.781 -14.382 1.00 0.00 C ATOM 840 NZ LYS A 120 15.236 -1.691 -15.814 1.00 0.00 N ATOM 0 H LYS A 120 11.524 -1.756 -11.401 1.00 0.00 H new ATOM 0 HA LYS A 120 10.690 -2.458 -13.996 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.659 -3.759 -12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.517 -4.176 -13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.027 -1.746 -14.318 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.367 -1.499 -12.616 1.00 0.00 H new ATOM 0 HD2 LYS A 120 15.232 -2.980 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.736 -3.718 -14.157 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.554 -0.797 -13.920 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.681 -2.079 -14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 15.993 -1.228 -16.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.075 -2.647 -16.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.361 -1.135 -15.896 1.00 0.00 H new ATOM 854 N ASN A 121 10.063 -4.707 -11.647 1.00 0.00 N ATOM 855 CA ASN A 121 9.245 -5.874 -11.333 1.00 0.00 C ATOM 856 C ASN A 121 8.071 -5.490 -10.438 1.00 0.00 C ATOM 857 O ASN A 121 8.189 -5.474 -9.213 1.00 0.00 O ATOM 858 CB ASN A 121 10.093 -6.947 -10.648 1.00 0.00 C ATOM 859 CG ASN A 121 11.324 -7.314 -11.455 1.00 0.00 C ATOM 860 OD1 ASN A 121 11.376 -7.091 -12.664 1.00 0.00 O ATOM 861 ND2 ASN A 121 12.322 -7.881 -10.787 1.00 0.00 N ATOM 0 H ASN A 121 10.648 -4.382 -10.877 1.00 0.00 H new ATOM 0 HA ASN A 121 8.851 -6.273 -12.268 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.400 -6.591 -9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 121 9.487 -7.839 -10.489 1.00 0.00 H new ATOM 0 HD21 ASN A 121 13.175 -8.150 -11.277 1.00 0.00 H new ATOM 0 HD22 ASN A 121 12.235 -8.047 -9.784 1.00 0.00 H new ATOM 868 N ARG A 122 6.937 -5.181 -11.060 1.00 0.00 N ATOM 869 CA ARG A 122 5.741 -4.797 -10.320 1.00 0.00 C ATOM 870 C ARG A 122 4.928 -6.026 -9.924 1.00 0.00 C ATOM 871 O ARG A 122 4.622 -6.228 -8.750 1.00 0.00 O ATOM 872 CB ARG A 122 4.879 -3.851 -11.158 1.00 0.00 C ATOM 873 CG ARG A 122 5.384 -2.417 -11.171 1.00 0.00 C ATOM 874 CD ARG A 122 4.289 -1.445 -11.582 1.00 0.00 C ATOM 875 NE ARG A 122 3.923 -1.596 -12.988 1.00 0.00 N ATOM 876 CZ ARG A 122 4.661 -1.140 -13.993 1.00 0.00 C ATOM 877 NH1 ARG A 122 5.800 -0.507 -13.749 1.00 0.00 N ATOM 878 NH2 ARG A 122 4.260 -1.317 -15.246 1.00 0.00 N ATOM 0 H ARG A 122 6.822 -5.189 -12.073 1.00 0.00 H new ATOM 0 HA ARG A 122 6.056 -4.283 -9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.838 -4.222 -12.182 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.859 -3.865 -10.773 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.755 -2.152 -10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.225 -2.332 -11.860 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.409 -1.606 -10.959 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.625 -0.424 -11.402 1.00 0.00 H new ATOM 0 HE ARG A 122 3.052 -2.079 -13.210 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.111 -0.369 -12.787 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.365 -0.158 -14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.384 -1.804 -15.437 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.828 -0.966 -16.017 1.00 0.00 H new ATOM 892 N ASN A 123 4.581 -6.844 -10.913 1.00 0.00 N ATOM 893 CA ASN A 123 3.803 -8.052 -10.668 1.00 0.00 C ATOM 894 C ASN A 123 4.700 -9.188 -10.186 1.00 0.00 C ATOM 895 O ASN A 123 4.571 -10.329 -10.632 1.00 0.00 O ATOM 896 CB ASN A 123 3.065 -8.475 -11.940 1.00 0.00 C ATOM 897 CG ASN A 123 1.818 -9.284 -11.642 1.00 0.00 C ATOM 898 OD1 ASN A 123 1.882 -10.499 -11.454 1.00 0.00 O ATOM 899 ND2 ASN A 123 0.673 -8.612 -11.599 1.00 0.00 N ATOM 0 H ASN A 123 4.827 -6.692 -11.891 1.00 0.00 H new ATOM 0 HA ASN A 123 3.074 -7.833 -9.888 1.00 0.00 H new ATOM 0 HB2 ASN A 123 2.791 -7.587 -12.510 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.735 -9.063 -12.567 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -0.200 -9.103 -11.404 1.00 0.00 H new ATOM 0 HD22 ASN A 123 0.666 -7.605 -11.761 1.00 0.00 H new ATOM 906 N LYS A 124 5.609 -8.869 -9.270 1.00 0.00 N ATOM 907 CA LYS A 124 6.527 -9.862 -8.724 1.00 0.00 C ATOM 908 C LYS A 124 5.835 -10.723 -7.673 1.00 0.00 C ATOM 909 O LYS A 124 5.684 -11.933 -7.847 1.00 0.00 O ATOM 910 CB LYS A 124 7.749 -9.174 -8.112 1.00 0.00 C ATOM 911 CG LYS A 124 8.982 -10.060 -8.057 1.00 0.00 C ATOM 912 CD LYS A 124 8.954 -10.979 -6.847 1.00 0.00 C ATOM 913 CE LYS A 124 10.232 -11.797 -6.740 1.00 0.00 C ATOM 914 NZ LYS A 124 10.257 -12.627 -5.504 1.00 0.00 N ATOM 0 H LYS A 124 5.729 -7.930 -8.890 1.00 0.00 H new ATOM 0 HA LYS A 124 6.852 -10.508 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 124 7.980 -8.280 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.503 -8.845 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.043 -10.657 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.877 -9.438 -8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.823 -10.387 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.097 -11.649 -6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.324 -12.443 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.093 -11.128 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.242 -12.783 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.744 -12.135 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.802 -13.543 -5.692 1.00 0.00 H new ATOM 928 N CYS A 125 5.414 -10.092 -6.582 1.00 0.00 N ATOM 929 CA CYS A 125 4.736 -10.800 -5.502 1.00 0.00 C ATOM 930 C CYS A 125 3.320 -10.266 -5.306 1.00 0.00 C ATOM 931 O CYS A 125 3.093 -9.057 -5.336 1.00 0.00 O ATOM 932 CB CYS A 125 5.528 -10.665 -4.200 1.00 0.00 C ATOM 933 SG CYS A 125 4.910 -11.710 -2.842 1.00 0.00 S ATOM 0 H CYS A 125 5.530 -9.091 -6.422 1.00 0.00 H new ATOM 0 HA CYS A 125 4.674 -11.854 -5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.570 -10.918 -4.393 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.507 -9.623 -3.881 1.00 0.00 H new ATOM 0 HG CYS A 125 5.272 -11.199 -1.702 1.00 0.00 H new ATOM 938 N GLN A 126 2.373 -11.176 -5.106 1.00 0.00 N ATOM 939 CA GLN A 126 0.979 -10.797 -4.906 1.00 0.00 C ATOM 940 C GLN A 126 0.746 -10.315 -3.478 1.00 0.00 C ATOM 941 O GLN A 126 0.102 -9.290 -3.256 1.00 0.00 O ATOM 942 CB GLN A 126 0.057 -11.978 -5.216 1.00 0.00 C ATOM 943 CG GLN A 126 -0.321 -12.086 -6.684 1.00 0.00 C ATOM 944 CD GLN A 126 -0.736 -10.755 -7.280 1.00 0.00 C ATOM 945 OE1 GLN A 126 -1.917 -10.408 -7.291 1.00 0.00 O ATOM 946 NE2 GLN A 126 0.237 -10.000 -7.779 1.00 0.00 N ATOM 0 H GLN A 126 2.545 -12.181 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 126 0.750 -9.978 -5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.547 -12.901 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.852 -11.885 -4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 126 0.525 -12.483 -7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.138 -12.799 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.203 -10.327 -7.749 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.018 -9.093 -8.192 1.00 0.00 H new ATOM 955 N TYR A 127 1.273 -11.061 -2.514 1.00 0.00 N ATOM 956 CA TYR A 127 1.119 -10.712 -1.107 1.00 0.00 C ATOM 957 C TYR A 127 1.814 -9.390 -0.795 1.00 0.00 C ATOM 958 O TYR A 127 1.161 -8.371 -0.566 1.00 0.00 O ATOM 959 CB TYR A 127 1.687 -11.821 -0.220 1.00 0.00 C ATOM 960 CG TYR A 127 1.691 -11.476 1.253 1.00 0.00 C ATOM 961 CD1 TYR A 127 2.741 -10.763 1.817 1.00 0.00 C ATOM 962 CD2 TYR A 127 0.644 -11.865 2.080 1.00 0.00 C ATOM 963 CE1 TYR A 127 2.749 -10.446 3.161 1.00 0.00 C ATOM 964 CE2 TYR A 127 0.643 -11.552 3.425 1.00 0.00 C ATOM 965 CZ TYR A 127 1.698 -10.843 3.961 1.00 0.00 C ATOM 966 OH TYR A 127 1.701 -10.530 5.301 1.00 0.00 O ATOM 0 H TYR A 127 1.811 -11.911 -2.681 1.00 0.00 H new ATOM 0 HA TYR A 127 0.055 -10.600 -0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 127 1.104 -12.729 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.707 -12.041 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 127 3.566 -10.451 1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -0.183 -12.421 1.664 1.00 0.00 H new ATOM 0 HE1 TYR A 127 3.573 -9.890 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -0.179 -11.861 4.054 1.00 0.00 H new ATOM 0 HH TYR A 127 0.888 -10.882 5.721 1.00 0.00 H new ATOM 976 N CYS A 128 3.142 -9.414 -0.789 1.00 0.00 N ATOM 977 CA CYS A 128 3.928 -8.219 -0.505 1.00 0.00 C ATOM 978 C CYS A 128 3.326 -6.997 -1.192 1.00 0.00 C ATOM 979 O CYS A 128 3.023 -5.995 -0.544 1.00 0.00 O ATOM 980 CB CYS A 128 5.375 -8.414 -0.964 1.00 0.00 C ATOM 981 SG CYS A 128 6.297 -9.660 -0.007 1.00 0.00 S ATOM 0 H CYS A 128 3.697 -10.249 -0.978 1.00 0.00 H new ATOM 0 HA CYS A 128 3.915 -8.053 0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.376 -8.705 -2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.898 -7.460 -0.897 1.00 0.00 H new ATOM 0 HG CYS A 128 6.997 -10.398 -0.816 1.00 0.00 H new ATOM 986 N ARG A 129 3.155 -7.088 -2.507 1.00 0.00 N ATOM 987 CA ARG A 129 2.590 -5.990 -3.282 1.00 0.00 C ATOM 988 C ARG A 129 1.371 -5.399 -2.578 1.00 0.00 C ATOM 989 O ARG A 129 1.227 -4.180 -2.482 1.00 0.00 O ATOM 990 CB ARG A 129 2.201 -6.471 -4.680 1.00 0.00 C ATOM 991 CG ARG A 129 1.581 -5.388 -5.548 1.00 0.00 C ATOM 992 CD ARG A 129 1.423 -5.849 -6.988 1.00 0.00 C ATOM 993 NE ARG A 129 1.142 -4.737 -7.891 1.00 0.00 N ATOM 994 CZ ARG A 129 2.047 -3.831 -8.245 1.00 0.00 C ATOM 995 NH1 ARG A 129 3.285 -3.906 -7.774 1.00 0.00 N ATOM 996 NH2 ARG A 129 1.716 -2.848 -9.072 1.00 0.00 N ATOM 0 H ARG A 129 3.400 -7.911 -3.058 1.00 0.00 H new ATOM 0 HA ARG A 129 3.349 -5.213 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.087 -6.862 -5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.497 -7.298 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.607 -5.111 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.205 -4.495 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.334 -6.355 -7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.615 -6.578 -7.049 1.00 0.00 H new ATOM 0 HE ARG A 129 0.199 -4.651 -8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.544 -4.661 -7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.978 -3.209 -8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.766 -2.787 -9.437 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.412 -2.153 -9.343 1.00 0.00 H new ATOM 1010 N PHE A 130 0.496 -6.271 -2.089 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.711 -5.836 -1.396 1.00 0.00 C ATOM 1012 C PHE A 130 -0.368 -5.207 -0.050 1.00 0.00 C ATOM 1013 O PHE A 130 -0.670 -4.039 0.196 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.662 -7.018 -1.192 1.00 0.00 C ATOM 1015 CG PHE A 130 -2.981 -6.629 -0.590 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -3.754 -5.633 -1.166 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.449 -7.259 0.552 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -4.969 -5.273 -0.615 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.664 -6.903 1.107 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.424 -5.908 0.524 1.00 0.00 C ATOM 0 H PHE A 130 0.600 -7.283 -2.160 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.204 -5.085 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.839 -7.502 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.181 -7.754 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.402 -5.132 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -2.858 -8.036 1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.562 -4.496 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.019 -7.403 1.996 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.372 -5.627 0.958 1.00 0.00 H new ATOM 1030 N GLN A 131 0.264 -5.989 0.819 1.00 0.00 N ATOM 1031 CA GLN A 131 0.646 -5.509 2.142 1.00 0.00 C ATOM 1032 C GLN A 131 1.202 -4.091 2.066 1.00 0.00 C ATOM 1033 O GLN A 131 0.845 -3.228 2.868 1.00 0.00 O ATOM 1034 CB GLN A 131 1.684 -6.443 2.766 1.00 0.00 C ATOM 1035 CG GLN A 131 1.073 -7.596 3.547 1.00 0.00 C ATOM 1036 CD GLN A 131 0.180 -7.125 4.679 1.00 0.00 C ATOM 1037 OE1 GLN A 131 0.427 -6.083 5.287 1.00 0.00 O ATOM 1038 NE2 GLN A 131 -0.864 -7.893 4.968 1.00 0.00 N ATOM 0 H GLN A 131 0.522 -6.958 0.631 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.246 -5.498 2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.319 -6.846 1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.328 -5.866 3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.494 -8.223 2.869 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.871 -8.218 3.953 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -1.030 -8.748 4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -1.500 -7.628 5.720 1.00 0.00 H new ATOM 1047 N LYS A 132 2.079 -3.856 1.095 1.00 0.00 N ATOM 1048 CA LYS A 132 2.685 -2.542 0.913 1.00 0.00 C ATOM 1049 C LYS A 132 1.617 -1.456 0.836 1.00 0.00 C ATOM 1050 O LYS A 132 1.651 -0.484 1.591 1.00 0.00 O ATOM 1051 CB LYS A 132 3.539 -2.523 -0.357 1.00 0.00 C ATOM 1052 CG LYS A 132 3.707 -1.138 -0.957 1.00 0.00 C ATOM 1053 CD LYS A 132 4.816 -1.110 -1.995 1.00 0.00 C ATOM 1054 CE LYS A 132 6.135 -0.655 -1.389 1.00 0.00 C ATOM 1055 NZ LYS A 132 6.948 -1.803 -0.903 1.00 0.00 N ATOM 0 H LYS A 132 2.386 -4.559 0.422 1.00 0.00 H new ATOM 0 HA LYS A 132 3.321 -2.341 1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.523 -2.933 -0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.085 -3.179 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 132 2.770 -0.823 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 132 3.930 -0.422 -0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 132 4.936 -2.103 -2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 132 4.538 -0.440 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.703 -0.097 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 132 5.938 0.027 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 7.929 -1.494 -0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 6.553 -2.154 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 6.931 -2.565 -1.611 1.00 0.00 H new ATOM 1069 N CYS A 133 0.670 -1.628 -0.079 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.410 -0.663 -0.254 1.00 0.00 C ATOM 1071 C CYS A 133 -1.063 -0.329 1.083 1.00 0.00 C ATOM 1072 O CYS A 133 -1.416 0.822 1.344 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.458 -1.208 -1.225 1.00 0.00 C ATOM 1074 SG CYS A 133 -0.926 -1.223 -2.953 1.00 0.00 S ATOM 0 H CYS A 133 0.628 -2.427 -0.712 1.00 0.00 H new ATOM 0 HA CYS A 133 0.017 0.251 -0.668 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.720 -2.223 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.364 -0.607 -1.140 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.386 -0.168 -3.558 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.222 -1.343 1.927 1.00 0.00 N ATOM 1081 CA LEU A 134 -1.834 -1.158 3.238 1.00 0.00 C ATOM 1082 C LEU A 134 -0.976 -0.254 4.117 1.00 0.00 C ATOM 1083 O LEU A 134 -1.477 0.685 4.735 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.038 -2.511 3.923 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.014 -3.469 3.239 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -2.973 -4.837 3.903 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.426 -2.903 3.268 1.00 0.00 C ATOM 0 H LEU A 134 -0.936 -2.301 1.727 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.803 -0.680 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.070 -3.005 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.388 -2.332 4.940 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.711 -3.583 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.674 -5.505 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.966 -5.247 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.250 -4.740 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.107 -3.598 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.739 -2.758 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.445 -1.946 2.746 1.00 0.00 H new ATOM 1099 N ALA A 135 0.320 -0.544 4.167 1.00 0.00 N ATOM 1100 CA ALA A 135 1.248 0.245 4.967 1.00 0.00 C ATOM 1101 C ALA A 135 1.221 1.712 4.552 1.00 0.00 C ATOM 1102 O ALA A 135 1.310 2.608 5.393 1.00 0.00 O ATOM 1103 CB ALA A 135 2.658 -0.314 4.845 1.00 0.00 C ATOM 0 H ALA A 135 0.751 -1.319 3.663 1.00 0.00 H new ATOM 0 HA ALA A 135 0.933 0.183 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.340 0.285 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.672 -1.345 5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.973 -0.283 3.802 1.00 0.00 H new ATOM 1109 N LEU A 136 1.099 1.952 3.251 1.00 0.00 N ATOM 1110 CA LEU A 136 1.061 3.312 2.724 1.00 0.00 C ATOM 1111 C LEU A 136 -0.129 4.081 3.288 1.00 0.00 C ATOM 1112 O LEU A 136 -0.086 5.304 3.416 1.00 0.00 O ATOM 1113 CB LEU A 136 0.988 3.285 1.196 1.00 0.00 C ATOM 1114 CG LEU A 136 2.281 2.912 0.469 1.00 0.00 C ATOM 1115 CD1 LEU A 136 2.041 2.813 -1.029 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.374 3.927 0.770 1.00 0.00 C ATOM 0 H LEU A 136 1.025 1.223 2.542 1.00 0.00 H new ATOM 0 HA LEU A 136 1.976 3.820 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.212 2.578 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.671 4.269 0.850 1.00 0.00 H new ATOM 0 HG LEU A 136 2.609 1.937 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.972 2.547 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.290 2.048 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.688 3.773 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.287 3.646 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.054 4.915 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.565 3.948 1.843 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.191 3.355 3.625 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.377 3.987 4.173 1.00 0.00 C ATOM 1130 C GLY A 137 -3.545 3.962 3.208 1.00 0.00 C ATOM 1131 O GLY A 137 -4.586 4.566 3.467 1.00 0.00 O ATOM 0 H GLY A 137 -1.251 2.341 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.661 3.481 5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.147 5.020 4.434 1.00 0.00 H new ATOM 1135 N MET A 138 -3.373 3.265 2.090 1.00 0.00 N ATOM 1136 CA MET A 138 -4.422 3.165 1.082 1.00 0.00 C ATOM 1137 C MET A 138 -5.741 2.729 1.711 1.00 0.00 C ATOM 1138 O MET A 138 -5.851 1.624 2.243 1.00 0.00 O ATOM 1139 CB MET A 138 -4.015 2.178 -0.013 1.00 0.00 C ATOM 1140 CG MET A 138 -2.841 2.652 -0.854 1.00 0.00 C ATOM 1141 SD MET A 138 -2.687 1.748 -2.406 1.00 0.00 S ATOM 1142 CE MET A 138 -2.765 3.091 -3.589 1.00 0.00 C ATOM 0 H MET A 138 -2.517 2.761 1.859 1.00 0.00 H new ATOM 0 HA MET A 138 -4.560 4.151 0.639 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.760 1.223 0.447 1.00 0.00 H new ATOM 0 HB3 MET A 138 -4.870 1.999 -0.665 1.00 0.00 H new ATOM 0 HG2 MET A 138 -2.958 3.715 -1.067 1.00 0.00 H new ATOM 0 HG3 MET A 138 -1.921 2.541 -0.281 1.00 0.00 H new ATOM 0 HE1 MET A 138 -3.223 2.736 -4.512 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.362 3.905 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.757 3.450 -3.799 1.00 0.00 H new ATOM 1152 N SER A 139 -6.740 3.604 1.648 1.00 0.00 N ATOM 1153 CA SER A 139 -8.051 3.310 2.216 1.00 0.00 C ATOM 1154 C SER A 139 -8.825 2.345 1.324 1.00 0.00 C ATOM 1155 O SER A 139 -8.553 2.232 0.128 1.00 0.00 O ATOM 1156 CB SER A 139 -8.849 4.601 2.404 1.00 0.00 C ATOM 1157 OG SER A 139 -9.791 4.470 3.455 1.00 0.00 O ATOM 0 H SER A 139 -6.667 4.522 1.209 1.00 0.00 H new ATOM 0 HA SER A 139 -7.902 2.839 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.169 5.424 2.622 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.366 4.851 1.477 1.00 0.00 H new ATOM 0 HG SER A 139 -10.287 5.309 3.556 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.793 1.651 1.914 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.609 0.695 1.173 1.00 0.00 C ATOM 1165 C HIS A 140 -12.008 1.251 0.926 1.00 0.00 C ATOM 1166 O HIS A 140 -12.529 1.175 -0.186 1.00 0.00 O ATOM 1167 CB HIS A 140 -10.701 -0.627 1.936 1.00 0.00 C ATOM 1168 CG HIS A 140 -9.380 -1.312 2.110 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -9.260 -2.662 2.362 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -8.118 -0.825 2.065 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -7.981 -2.976 2.466 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -7.267 -1.878 2.290 1.00 0.00 N ATOM 0 H HIS A 140 -10.032 1.732 2.902 1.00 0.00 H new ATOM 0 HA HIS A 140 -10.132 0.518 0.209 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -11.136 -0.441 2.918 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -11.381 -1.295 1.407 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -10.037 -3.316 2.454 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -7.834 0.201 1.885 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -7.586 -3.962 2.662 1.00 0.00 H new