USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=20 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 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 111 CYS SG : rot -130:sc= 0.353 USER MOD Set 2.2: A 115 CYS SG : rot 134:sc= 1.05 USER MOD Set 2.3: A 125 CYS SG : rot -149:sc= 0.484 USER MOD Set 2.4: A 128 CYS SG : rot 131:sc= -1.88! USER MOD Set 3.1: A 118 GLN : amide:sc= -0.0535 X(o=-0.072,f=0.17) USER MOD Set 3.2: A 119 LYS NZ :NH3+ -133:sc= -0.019 (180deg=-0.193) USER MOD Set 4.1: A 74 CYS SG : rot 158:sc= -0.326 USER MOD Set 4.2: A 77 CYS SG : rot -62:sc= 0.274 USER MOD Set 4.3: A 91 CYS SG : rot -131:sc= 1.1 USER MOD Set 4.4: A 94 CYS SG : rot 81:sc= -0.381 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= -0.792 X(o=-0.79,f=-1.1) USER MOD Single : A 86 TYR OH : rot 46:sc= -0.572 USER MOD Single : A 89 HIS : no HD1:sc= -0.336 K(o=-0.34,f=-1.4) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 104 MET CE :methyl 153:sc= -0.186 (180deg=-0.813) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 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= 0 X(o=0,f=-0.1) USER MOD Single : A 123 ASN :FLIP amide:sc= -1.01 F(o=-1.5,f=-1) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.55) USER MOD Single : A 131 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.1) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 138 MET CE :methyl -162:sc= -0.57 (180deg=-2.29) USER MOD Single : A 139 SER OG : rot 53:sc= 0.297 USER MOD Single : A 140 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.334 10.577 -7.411 1.00 0.00 N ATOM 84 CA GLU A 73 6.495 9.186 -7.819 1.00 0.00 C ATOM 85 C GLU A 73 5.570 8.274 -7.018 1.00 0.00 C ATOM 86 O GLU A 73 5.201 8.585 -5.885 1.00 0.00 O ATOM 87 CB GLU A 73 7.948 8.743 -7.639 1.00 0.00 C ATOM 88 CG GLU A 73 8.810 8.969 -8.870 1.00 0.00 C ATOM 89 CD GLU A 73 10.279 9.131 -8.532 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.910 8.129 -8.133 1.00 0.00 O ATOM 91 OE2 GLU A 73 10.798 10.259 -8.665 1.00 0.00 O ATOM 0 HA GLU A 73 6.228 9.110 -8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.382 9.283 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.967 7.684 -7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.689 8.128 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.462 9.859 -9.395 1.00 0.00 H new ATOM 98 N CYS A 74 5.200 7.146 -7.615 1.00 0.00 N ATOM 99 CA CYS A 74 4.318 6.187 -6.960 1.00 0.00 C ATOM 100 C CYS A 74 4.954 5.649 -5.681 1.00 0.00 C ATOM 101 O CYS A 74 6.138 5.310 -5.660 1.00 0.00 O ATOM 102 CB CYS A 74 3.993 5.031 -7.907 1.00 0.00 C ATOM 103 SG CYS A 74 2.798 3.832 -7.234 1.00 0.00 S ATOM 0 H CYS A 74 5.497 6.873 -8.552 1.00 0.00 H new ATOM 0 HA CYS A 74 3.394 6.702 -6.697 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.598 5.438 -8.838 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.916 4.508 -8.154 1.00 0.00 H new ATOM 0 HG CYS A 74 2.235 3.185 -8.211 1.00 0.00 H new ATOM 108 N ARG A 75 4.160 5.572 -4.619 1.00 0.00 N ATOM 109 CA ARG A 75 4.646 5.075 -3.337 1.00 0.00 C ATOM 110 C ARG A 75 4.381 3.579 -3.198 1.00 0.00 C ATOM 111 O ARG A 75 4.281 3.056 -2.088 1.00 0.00 O ATOM 112 CB ARG A 75 3.977 5.831 -2.187 1.00 0.00 C ATOM 113 CG ARG A 75 4.155 7.339 -2.264 1.00 0.00 C ATOM 114 CD ARG A 75 5.420 7.788 -1.550 1.00 0.00 C ATOM 115 NE ARG A 75 5.327 9.171 -1.090 1.00 0.00 N ATOM 116 CZ ARG A 75 6.327 9.819 -0.503 1.00 0.00 C ATOM 117 NH1 ARG A 75 7.490 9.212 -0.306 1.00 0.00 N ATOM 118 NH2 ARG A 75 6.166 11.076 -0.112 1.00 0.00 N ATOM 0 H ARG A 75 3.178 5.847 -4.620 1.00 0.00 H new ATOM 0 HA ARG A 75 5.722 5.241 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.912 5.599 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.386 5.473 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.196 7.649 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.290 7.832 -1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.607 7.134 -0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.272 7.686 -2.223 1.00 0.00 H new ATOM 0 HE ARG A 75 4.446 9.666 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.618 8.245 -0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.256 9.712 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.273 11.546 -0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.935 11.572 0.339 1.00 0.00 H new ATOM 132 N VAL A 76 4.268 2.895 -4.332 1.00 0.00 N ATOM 133 CA VAL A 76 4.015 1.459 -4.337 1.00 0.00 C ATOM 134 C VAL A 76 5.015 0.729 -5.227 1.00 0.00 C ATOM 135 O VAL A 76 5.465 -0.370 -4.901 1.00 0.00 O ATOM 136 CB VAL A 76 2.588 1.142 -4.820 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.396 -0.359 -4.973 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.560 1.724 -3.861 1.00 0.00 C ATOM 0 H VAL A 76 4.348 3.312 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 76 4.127 1.114 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 76 2.443 1.604 -5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.381 -0.563 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.109 -0.745 -5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.560 -0.847 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.557 1.491 -4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.702 1.293 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.684 2.806 -3.808 1.00 0.00 H new ATOM 148 N CYS A 77 5.359 1.346 -6.352 1.00 0.00 N ATOM 149 CA CYS A 77 6.306 0.756 -7.290 1.00 0.00 C ATOM 150 C CYS A 77 7.504 1.676 -7.505 1.00 0.00 C ATOM 151 O CYS A 77 8.652 1.236 -7.470 1.00 0.00 O ATOM 152 CB CYS A 77 5.620 0.473 -8.628 1.00 0.00 C ATOM 153 SG CYS A 77 5.047 1.965 -9.501 1.00 0.00 S ATOM 0 H CYS A 77 4.996 2.256 -6.637 1.00 0.00 H new ATOM 0 HA CYS A 77 6.663 -0.183 -6.866 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.313 -0.068 -9.272 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.767 -0.184 -8.455 1.00 0.00 H new ATOM 0 HG CYS A 77 4.155 2.575 -8.778 1.00 0.00 H new ATOM 158 N GLY A 78 7.227 2.958 -7.727 1.00 0.00 N ATOM 159 CA GLY A 78 8.292 3.920 -7.943 1.00 0.00 C ATOM 160 C GLY A 78 8.073 4.757 -9.188 1.00 0.00 C ATOM 161 O GLY A 78 8.369 5.951 -9.201 1.00 0.00 O ATOM 0 H GLY A 78 6.285 3.347 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.366 4.576 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.242 3.393 -8.026 1.00 0.00 H new ATOM 165 N ASP A 79 7.553 4.129 -10.237 1.00 0.00 N ATOM 166 CA ASP A 79 7.295 4.824 -11.493 1.00 0.00 C ATOM 167 C ASP A 79 6.605 6.161 -11.242 1.00 0.00 C ATOM 168 O ASP A 79 6.196 6.460 -10.120 1.00 0.00 O ATOM 169 CB ASP A 79 6.434 3.956 -12.412 1.00 0.00 C ATOM 170 CG ASP A 79 6.678 4.248 -13.880 1.00 0.00 C ATOM 171 OD1 ASP A 79 7.761 4.778 -14.206 1.00 0.00 O ATOM 172 OD2 ASP A 79 5.787 3.948 -14.702 1.00 0.00 O ATOM 0 H ASP A 79 7.302 3.140 -10.243 1.00 0.00 H new ATOM 0 HA ASP A 79 8.252 5.015 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.642 2.905 -12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.381 4.121 -12.182 1.00 0.00 H new ATOM 177 N LYS A 80 6.480 6.963 -12.294 1.00 0.00 N ATOM 178 CA LYS A 80 5.840 8.269 -12.190 1.00 0.00 C ATOM 179 C LYS A 80 4.417 8.136 -11.655 1.00 0.00 C ATOM 180 O LYS A 80 3.705 7.189 -11.987 1.00 0.00 O ATOM 181 CB LYS A 80 5.820 8.961 -13.555 1.00 0.00 C ATOM 182 CG LYS A 80 4.942 8.262 -14.578 1.00 0.00 C ATOM 183 CD LYS A 80 5.411 8.538 -15.997 1.00 0.00 C ATOM 184 CE LYS A 80 4.469 7.930 -17.024 1.00 0.00 C ATOM 185 NZ LYS A 80 3.354 8.854 -17.370 1.00 0.00 N ATOM 0 H LYS A 80 6.814 6.731 -13.229 1.00 0.00 H new ATOM 0 HA LYS A 80 6.418 8.874 -11.491 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.471 9.986 -13.428 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.838 9.017 -13.940 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.951 7.188 -14.393 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.911 8.596 -14.463 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.479 9.614 -16.156 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.413 8.132 -16.136 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.027 7.681 -17.926 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.060 6.998 -16.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.734 8.403 -18.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.805 9.072 -16.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.742 9.734 -17.765 1.00 0.00 H new ATOM 199 N ALA A 81 4.010 9.092 -10.826 1.00 0.00 N ATOM 200 CA ALA A 81 2.672 9.083 -10.248 1.00 0.00 C ATOM 201 C ALA A 81 1.674 9.783 -11.164 1.00 0.00 C ATOM 202 O ALA A 81 1.827 10.964 -11.478 1.00 0.00 O ATOM 203 CB ALA A 81 2.685 9.743 -8.877 1.00 0.00 C ATOM 0 H ALA A 81 4.588 9.882 -10.540 1.00 0.00 H new ATOM 0 HA ALA A 81 2.358 8.045 -10.137 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.679 9.729 -8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.361 9.199 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.024 10.774 -8.973 1.00 0.00 H new ATOM 209 N SER A 82 0.653 9.047 -11.592 1.00 0.00 N ATOM 210 CA SER A 82 -0.368 9.596 -12.476 1.00 0.00 C ATOM 211 C SER A 82 -1.238 10.609 -11.738 1.00 0.00 C ATOM 212 O SER A 82 -1.413 11.740 -12.190 1.00 0.00 O ATOM 213 CB SER A 82 -1.240 8.473 -13.042 1.00 0.00 C ATOM 214 OG SER A 82 -2.170 8.977 -13.985 1.00 0.00 O ATOM 0 H SER A 82 0.511 8.069 -11.341 1.00 0.00 H new ATOM 0 HA SER A 82 0.134 10.106 -13.298 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.609 7.721 -13.515 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.772 7.977 -12.230 1.00 0.00 H new ATOM 0 HG SER A 82 -2.714 8.240 -14.333 1.00 0.00 H new ATOM 220 N GLY A 83 -1.783 10.193 -10.599 1.00 0.00 N ATOM 221 CA GLY A 83 -2.629 11.074 -9.816 1.00 0.00 C ATOM 222 C GLY A 83 -2.531 10.801 -8.328 1.00 0.00 C ATOM 223 O GLY A 83 -1.563 10.200 -7.862 1.00 0.00 O ATOM 0 H GLY A 83 -1.654 9.261 -10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.349 12.109 -10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.664 10.958 -10.136 1.00 0.00 H new ATOM 227 N PHE A 84 -3.535 11.245 -7.579 1.00 0.00 N ATOM 228 CA PHE A 84 -3.557 11.047 -6.135 1.00 0.00 C ATOM 229 C PHE A 84 -4.793 10.259 -5.712 1.00 0.00 C ATOM 230 O PHE A 84 -5.830 10.838 -5.383 1.00 0.00 O ATOM 231 CB PHE A 84 -3.527 12.396 -5.413 1.00 0.00 C ATOM 232 CG PHE A 84 -3.002 12.314 -4.009 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.748 11.784 -3.754 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.764 12.766 -2.943 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.263 11.706 -2.462 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.284 12.691 -1.649 1.00 0.00 C ATOM 237 CZ PHE A 84 -2.031 12.162 -1.408 1.00 0.00 C ATOM 0 H PHE A 84 -4.344 11.744 -7.949 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.671 10.475 -5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.910 13.090 -5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.535 12.810 -5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.142 11.428 -4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.744 13.182 -3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.284 11.289 -2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.888 13.046 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.653 12.105 -0.398 1.00 0.00 H new ATOM 247 N HIS A 85 -4.677 8.935 -5.724 1.00 0.00 N ATOM 248 CA HIS A 85 -5.784 8.066 -5.342 1.00 0.00 C ATOM 249 C HIS A 85 -5.554 7.470 -3.956 1.00 0.00 C ATOM 250 O HIS A 85 -4.420 7.183 -3.574 1.00 0.00 O ATOM 251 CB HIS A 85 -5.960 6.947 -6.369 1.00 0.00 C ATOM 252 CG HIS A 85 -5.919 7.425 -7.788 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.972 8.079 -8.392 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.944 7.342 -8.722 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.646 8.376 -9.638 1.00 0.00 C ATOM 256 NE2 HIS A 85 -5.420 7.940 -9.863 1.00 0.00 N ATOM 0 H HIS A 85 -3.827 8.440 -5.994 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.692 8.668 -5.313 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.177 6.203 -6.222 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.912 6.447 -6.190 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.972 6.889 -8.594 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.275 8.888 -10.351 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.910 8.032 -10.741 1.00 0.00 H new ATOM 264 N TYR A 86 -6.637 7.287 -3.209 1.00 0.00 N ATOM 265 CA TYR A 86 -6.553 6.728 -1.865 1.00 0.00 C ATOM 266 C TYR A 86 -5.704 7.614 -0.959 1.00 0.00 C ATOM 267 O TYR A 86 -5.104 7.142 0.006 1.00 0.00 O ATOM 268 CB TYR A 86 -5.965 5.317 -1.913 1.00 0.00 C ATOM 269 CG TYR A 86 -6.498 4.477 -3.051 1.00 0.00 C ATOM 270 CD1 TYR A 86 -5.878 4.480 -4.294 1.00 0.00 C ATOM 271 CD2 TYR A 86 -7.623 3.679 -2.883 1.00 0.00 C ATOM 272 CE1 TYR A 86 -6.362 3.714 -5.337 1.00 0.00 C ATOM 273 CE2 TYR A 86 -8.115 2.909 -3.920 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.481 2.930 -5.145 1.00 0.00 C ATOM 275 OH TYR A 86 -7.966 2.165 -6.181 1.00 0.00 O ATOM 0 H TYR A 86 -7.583 7.518 -3.511 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.562 6.680 -1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.881 5.387 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.176 4.812 -0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.002 5.092 -4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.122 3.660 -1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.867 3.729 -6.297 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.991 2.294 -3.772 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.223 1.699 -6.619 1.00 0.00 H new ATOM 285 N GLY A 87 -5.659 8.904 -1.277 1.00 0.00 N ATOM 286 CA GLY A 87 -4.883 9.838 -0.482 1.00 0.00 C ATOM 287 C GLY A 87 -3.404 9.505 -0.478 1.00 0.00 C ATOM 288 O GLY A 87 -2.665 9.938 0.407 1.00 0.00 O ATOM 0 H GLY A 87 -6.146 9.319 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.024 10.846 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.256 9.836 0.542 1.00 0.00 H new ATOM 292 N VAL A 88 -2.970 8.733 -1.469 1.00 0.00 N ATOM 293 CA VAL A 88 -1.569 8.342 -1.577 1.00 0.00 C ATOM 294 C VAL A 88 -1.082 8.435 -3.018 1.00 0.00 C ATOM 295 O VAL A 88 -1.730 7.933 -3.938 1.00 0.00 O ATOM 296 CB VAL A 88 -1.346 6.907 -1.062 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.799 5.891 -2.100 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.115 6.694 -0.697 1.00 0.00 C ATOM 0 H VAL A 88 -3.568 8.366 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.998 9.035 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.946 6.764 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.634 4.883 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.860 6.031 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.228 6.030 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.255 5.675 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.737 6.855 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.402 7.399 0.084 1.00 0.00 H new ATOM 308 N HIS A 89 0.065 9.079 -3.209 1.00 0.00 N ATOM 309 CA HIS A 89 0.641 9.237 -4.539 1.00 0.00 C ATOM 310 C HIS A 89 0.883 7.879 -5.192 1.00 0.00 C ATOM 311 O HIS A 89 1.940 7.275 -5.016 1.00 0.00 O ATOM 312 CB HIS A 89 1.953 10.019 -4.461 1.00 0.00 C ATOM 313 CG HIS A 89 1.776 11.500 -4.586 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.627 12.336 -3.499 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.727 12.296 -5.680 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.492 13.581 -3.919 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.549 13.584 -5.239 1.00 0.00 N ATOM 0 H HIS A 89 0.614 9.500 -2.459 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.069 9.793 -5.151 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.442 9.799 -3.512 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.620 9.673 -5.251 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.812 11.977 -6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.358 14.449 -3.290 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.473 14.409 -5.834 1.00 0.00 H new ATOM 325 N ALA A 90 -0.105 7.406 -5.944 1.00 0.00 N ATOM 326 CA ALA A 90 0.000 6.120 -6.623 1.00 0.00 C ATOM 327 C ALA A 90 -0.135 6.285 -8.133 1.00 0.00 C ATOM 328 O ALA A 90 -0.636 7.301 -8.615 1.00 0.00 O ATOM 329 CB ALA A 90 -1.055 5.158 -6.098 1.00 0.00 C ATOM 0 H ALA A 90 -0.987 7.894 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 90 0.987 5.706 -6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.965 4.202 -6.614 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.910 5.008 -5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.047 5.574 -6.275 1.00 0.00 H new ATOM 335 N CYS A 91 0.316 5.279 -8.876 1.00 0.00 N ATOM 336 CA CYS A 91 0.247 5.311 -10.331 1.00 0.00 C ATOM 337 C CYS A 91 -0.935 4.490 -10.839 1.00 0.00 C ATOM 338 O CYS A 91 -1.552 3.741 -10.083 1.00 0.00 O ATOM 339 CB CYS A 91 1.548 4.781 -10.937 1.00 0.00 C ATOM 340 SG CYS A 91 1.732 2.971 -10.833 1.00 0.00 S ATOM 0 H CYS A 91 0.734 4.431 -8.493 1.00 0.00 H new ATOM 0 HA CYS A 91 0.106 6.347 -10.639 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.598 5.081 -11.984 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.391 5.251 -10.430 1.00 0.00 H new ATOM 0 HG CYS A 91 2.909 2.681 -10.363 1.00 0.00 H new ATOM 345 N GLU A 92 -1.244 4.638 -12.123 1.00 0.00 N ATOM 346 CA GLU A 92 -2.352 3.911 -12.731 1.00 0.00 C ATOM 347 C GLU A 92 -2.211 2.409 -12.495 1.00 0.00 C ATOM 348 O GLU A 92 -3.140 1.754 -12.024 1.00 0.00 O ATOM 349 CB GLU A 92 -2.418 4.199 -14.232 1.00 0.00 C ATOM 350 CG GLU A 92 -1.156 3.809 -14.983 1.00 0.00 C ATOM 351 CD GLU A 92 -1.134 4.343 -16.402 1.00 0.00 C ATOM 352 OE1 GLU A 92 -1.765 3.720 -17.280 1.00 0.00 O ATOM 353 OE2 GLU A 92 -0.484 5.384 -16.633 1.00 0.00 O ATOM 0 H GLU A 92 -0.743 5.255 -12.762 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.276 4.250 -12.263 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.265 3.663 -14.659 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.606 5.262 -14.381 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.286 4.184 -14.444 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.072 2.722 -15.006 1.00 0.00 H new ATOM 360 N GLY A 93 -1.042 1.871 -12.828 1.00 0.00 N ATOM 361 CA GLY A 93 -0.800 0.452 -12.647 1.00 0.00 C ATOM 362 C GLY A 93 -1.223 -0.038 -11.276 1.00 0.00 C ATOM 363 O GLY A 93 -2.196 -0.781 -11.146 1.00 0.00 O ATOM 0 H GLY A 93 -0.258 2.393 -13.220 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.340 -0.106 -13.412 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.261 0.246 -12.792 1.00 0.00 H new ATOM 367 N CYS A 94 -0.488 0.377 -10.249 1.00 0.00 N ATOM 368 CA CYS A 94 -0.790 -0.025 -8.880 1.00 0.00 C ATOM 369 C CYS A 94 -2.224 0.339 -8.510 1.00 0.00 C ATOM 370 O CYS A 94 -2.989 -0.503 -8.039 1.00 0.00 O ATOM 371 CB CYS A 94 0.185 0.638 -7.905 1.00 0.00 C ATOM 372 SG CYS A 94 1.938 0.278 -8.245 1.00 0.00 S ATOM 0 H CYS A 94 0.321 0.992 -10.339 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.680 -1.107 -8.813 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.034 1.717 -7.935 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.052 0.311 -6.893 1.00 0.00 H new ATOM 0 HG CYS A 94 2.365 1.059 -9.192 1.00 0.00 H new ATOM 377 N LYS A 95 -2.583 1.601 -8.725 1.00 0.00 N ATOM 378 CA LYS A 95 -3.925 2.079 -8.416 1.00 0.00 C ATOM 379 C LYS A 95 -4.966 1.002 -8.705 1.00 0.00 C ATOM 380 O LYS A 95 -5.688 0.567 -7.809 1.00 0.00 O ATOM 381 CB LYS A 95 -4.240 3.338 -9.228 1.00 0.00 C ATOM 382 CG LYS A 95 -5.687 3.786 -9.118 1.00 0.00 C ATOM 383 CD LYS A 95 -6.139 4.520 -10.369 1.00 0.00 C ATOM 384 CE LYS A 95 -7.642 4.757 -10.364 1.00 0.00 C ATOM 385 NZ LYS A 95 -8.101 5.431 -11.610 1.00 0.00 N ATOM 0 H LYS A 95 -1.962 2.311 -9.112 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.962 2.320 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.591 4.148 -8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.004 3.153 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.326 2.919 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.803 4.437 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.619 5.475 -10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.864 3.942 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.160 3.804 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.911 5.366 -9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.130 5.575 -11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.626 6.352 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.868 4.838 -12.432 1.00 0.00 H new ATOM 399 N GLY A 96 -5.036 0.574 -9.962 1.00 0.00 N ATOM 400 CA GLY A 96 -5.991 -0.449 -10.346 1.00 0.00 C ATOM 401 C GLY A 96 -5.871 -1.700 -9.498 1.00 0.00 C ATOM 402 O GLY A 96 -6.850 -2.151 -8.902 1.00 0.00 O ATOM 0 H GLY A 96 -4.448 0.918 -10.721 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.002 -0.050 -10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.840 -0.708 -11.394 1.00 0.00 H new ATOM 406 N PHE A 97 -4.669 -2.264 -9.444 1.00 0.00 N ATOM 407 CA PHE A 97 -4.426 -3.473 -8.665 1.00 0.00 C ATOM 408 C PHE A 97 -5.151 -3.411 -7.324 1.00 0.00 C ATOM 409 O PHE A 97 -5.885 -4.329 -6.960 1.00 0.00 O ATOM 410 CB PHE A 97 -2.925 -3.665 -8.438 1.00 0.00 C ATOM 411 CG PHE A 97 -2.604 -4.544 -7.264 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.527 -5.920 -7.412 1.00 0.00 C ATOM 413 CD2 PHE A 97 -2.380 -3.996 -6.011 1.00 0.00 C ATOM 414 CE1 PHE A 97 -2.233 -6.732 -6.333 1.00 0.00 C ATOM 415 CE2 PHE A 97 -2.085 -4.803 -4.928 1.00 0.00 C ATOM 416 CZ PHE A 97 -2.010 -6.173 -5.090 1.00 0.00 C ATOM 0 H PHE A 97 -3.848 -1.903 -9.930 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.813 -4.322 -9.228 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.482 -4.096 -9.336 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.461 -2.690 -8.290 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.699 -6.363 -8.382 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.437 -2.926 -5.879 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.178 -7.803 -6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.913 -4.363 -3.957 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.777 -6.806 -4.246 1.00 0.00 H new ATOM 426 N PHE A 98 -4.939 -2.321 -6.594 1.00 0.00 N ATOM 427 CA PHE A 98 -5.570 -2.138 -5.292 1.00 0.00 C ATOM 428 C PHE A 98 -7.084 -2.298 -5.395 1.00 0.00 C ATOM 429 O PHE A 98 -7.654 -3.261 -4.882 1.00 0.00 O ATOM 430 CB PHE A 98 -5.229 -0.759 -4.725 1.00 0.00 C ATOM 431 CG PHE A 98 -5.506 -0.631 -3.254 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.679 -1.241 -2.324 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.593 0.100 -2.802 1.00 0.00 C ATOM 434 CE1 PHE A 98 -4.931 -1.124 -0.970 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.849 0.220 -1.449 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.018 -0.393 -0.532 1.00 0.00 C ATOM 0 H PHE A 98 -4.335 -1.551 -6.882 1.00 0.00 H new ATOM 0 HA PHE A 98 -5.186 -2.904 -4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -4.175 -0.550 -4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.801 -0.002 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.828 -1.814 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -7.247 0.581 -3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.279 -1.604 -0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.699 0.793 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.218 -0.301 0.525 1.00 0.00 H new ATOM 446 N ARG A 99 -7.730 -1.346 -6.061 1.00 0.00 N ATOM 447 CA ARG A 99 -9.177 -1.379 -6.231 1.00 0.00 C ATOM 448 C ARG A 99 -9.662 -2.803 -6.489 1.00 0.00 C ATOM 449 O ARG A 99 -10.590 -3.281 -5.837 1.00 0.00 O ATOM 450 CB ARG A 99 -9.598 -0.468 -7.385 1.00 0.00 C ATOM 451 CG ARG A 99 -11.096 -0.220 -7.450 1.00 0.00 C ATOM 452 CD ARG A 99 -11.501 0.975 -6.601 1.00 0.00 C ATOM 453 NE ARG A 99 -12.815 1.491 -6.973 1.00 0.00 N ATOM 454 CZ ARG A 99 -13.275 2.676 -6.587 1.00 0.00 C ATOM 455 NH1 ARG A 99 -12.531 3.463 -5.823 1.00 0.00 N ATOM 456 NH2 ARG A 99 -14.482 3.076 -6.967 1.00 0.00 N ATOM 0 H ARG A 99 -7.273 -0.542 -6.492 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.634 -1.019 -5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.084 0.488 -7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.271 -0.912 -8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.393 -0.050 -8.485 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.628 -1.108 -7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.509 0.687 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.758 1.765 -6.709 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.412 0.910 -7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.602 3.159 -5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.887 4.372 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.057 2.473 -7.556 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.835 3.986 -6.670 1.00 0.00 H new ATOM 470 N ARG A 100 -9.028 -3.473 -7.446 1.00 0.00 N ATOM 471 CA ARG A 100 -9.396 -4.841 -7.792 1.00 0.00 C ATOM 472 C ARG A 100 -9.250 -5.765 -6.586 1.00 0.00 C ATOM 473 O ARG A 100 -10.223 -6.365 -6.128 1.00 0.00 O ATOM 474 CB ARG A 100 -8.529 -5.349 -8.945 1.00 0.00 C ATOM 475 CG ARG A 100 -8.719 -6.827 -9.245 1.00 0.00 C ATOM 476 CD ARG A 100 -7.934 -7.250 -10.477 1.00 0.00 C ATOM 477 NE ARG A 100 -8.468 -6.654 -11.698 1.00 0.00 N ATOM 478 CZ ARG A 100 -8.110 -7.035 -12.919 1.00 0.00 C ATOM 479 NH1 ARG A 100 -7.223 -8.007 -13.081 1.00 0.00 N ATOM 480 NH2 ARG A 100 -8.641 -6.444 -13.982 1.00 0.00 N ATOM 0 H ARG A 100 -8.258 -3.091 -7.995 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.440 -4.842 -8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.758 -4.773 -9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.481 -5.167 -8.708 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.398 -7.418 -8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.778 -7.035 -9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.890 -6.960 -10.359 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.955 -8.336 -10.565 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.153 -5.904 -11.609 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.813 -8.465 -12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.950 -8.297 -14.020 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.325 -5.697 -13.862 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.366 -6.737 -14.919 1.00 0.00 H new ATOM 494 N THR A 101 -8.027 -5.876 -6.077 1.00 0.00 N ATOM 495 CA THR A 101 -7.753 -6.727 -4.926 1.00 0.00 C ATOM 496 C THR A 101 -8.839 -6.587 -3.867 1.00 0.00 C ATOM 497 O THR A 101 -9.068 -7.501 -3.074 1.00 0.00 O ATOM 498 CB THR A 101 -6.388 -6.394 -4.293 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.370 -6.384 -5.300 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.031 -7.405 -3.214 1.00 0.00 C ATOM 0 H THR A 101 -7.210 -5.387 -6.444 1.00 0.00 H new ATOM 0 HA THR A 101 -7.736 -7.754 -5.290 1.00 0.00 H new ATOM 0 HB THR A 101 -6.456 -5.407 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.343 -5.503 -5.729 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.064 -7.149 -2.782 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.792 -7.389 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.981 -8.402 -3.652 1.00 0.00 H new ATOM 508 N ILE A 102 -9.507 -5.438 -3.859 1.00 0.00 N ATOM 509 CA ILE A 102 -10.572 -5.180 -2.897 1.00 0.00 C ATOM 510 C ILE A 102 -11.909 -5.712 -3.401 1.00 0.00 C ATOM 511 O ILE A 102 -12.478 -6.638 -2.822 1.00 0.00 O ATOM 512 CB ILE A 102 -10.710 -3.675 -2.601 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.367 -3.097 -2.148 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.778 -3.439 -1.544 1.00 0.00 C ATOM 515 CD1 ILE A 102 -8.922 -3.596 -0.791 1.00 0.00 C ATOM 0 H ILE A 102 -9.330 -4.671 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.300 -5.700 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 102 -11.013 -3.166 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.605 -3.348 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.439 -2.010 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.864 -2.371 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.735 -3.820 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.502 -3.957 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.963 -3.145 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.664 -3.322 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.817 -4.681 -0.819 1.00 0.00 H new ATOM 527 N ARG A 103 -12.404 -5.123 -4.485 1.00 0.00 N ATOM 528 CA ARG A 103 -13.674 -5.538 -5.067 1.00 0.00 C ATOM 529 C ARG A 103 -13.725 -7.054 -5.236 1.00 0.00 C ATOM 530 O ARG A 103 -14.732 -7.689 -4.924 1.00 0.00 O ATOM 531 CB ARG A 103 -13.885 -4.857 -6.421 1.00 0.00 C ATOM 532 CG ARG A 103 -13.270 -5.613 -7.586 1.00 0.00 C ATOM 533 CD ARG A 103 -13.685 -5.013 -8.921 1.00 0.00 C ATOM 534 NE ARG A 103 -13.518 -5.959 -10.021 1.00 0.00 N ATOM 535 CZ ARG A 103 -13.805 -5.672 -11.286 1.00 0.00 C ATOM 536 NH1 ARG A 103 -14.269 -4.473 -11.609 1.00 0.00 N ATOM 537 NH2 ARG A 103 -13.626 -6.586 -12.232 1.00 0.00 N ATOM 0 H ARG A 103 -11.945 -4.357 -4.978 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.472 -5.238 -4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.954 -4.742 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.459 -3.854 -6.384 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -12.184 -5.595 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -13.576 -6.658 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -14.727 -4.698 -8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.092 -4.120 -9.117 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.162 -6.890 -9.806 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.407 -3.767 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.488 -4.256 -12.581 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.268 -7.509 -11.988 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -13.847 -6.365 -13.203 1.00 0.00 H new ATOM 551 N MET A 104 -12.633 -7.626 -5.732 1.00 0.00 N ATOM 552 CA MET A 104 -12.553 -9.067 -5.941 1.00 0.00 C ATOM 553 C MET A 104 -12.137 -9.781 -4.658 1.00 0.00 C ATOM 554 O MET A 104 -12.129 -11.010 -4.594 1.00 0.00 O ATOM 555 CB MET A 104 -11.562 -9.388 -7.061 1.00 0.00 C ATOM 556 CG MET A 104 -11.932 -8.763 -8.397 1.00 0.00 C ATOM 557 SD MET A 104 -11.171 -9.610 -9.795 1.00 0.00 S ATOM 558 CE MET A 104 -12.001 -11.196 -9.721 1.00 0.00 C ATOM 0 H MET A 104 -11.791 -7.114 -5.997 1.00 0.00 H new ATOM 0 HA MET A 104 -13.543 -9.422 -6.229 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.571 -9.041 -6.769 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.499 -10.470 -7.180 1.00 0.00 H new ATOM 0 HG2 MET A 104 -13.016 -8.779 -8.514 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.627 -7.717 -8.401 1.00 0.00 H new ATOM 0 HE1 MET A 104 -12.030 -11.638 -10.717 1.00 0.00 H new ATOM 0 HE2 MET A 104 -11.460 -11.859 -9.045 1.00 0.00 H new ATOM 0 HE3 MET A 104 -13.019 -11.057 -9.356 1.00 0.00 H new ATOM 568 N LYS A 105 -11.791 -9.002 -3.639 1.00 0.00 N ATOM 569 CA LYS A 105 -11.375 -9.558 -2.357 1.00 0.00 C ATOM 570 C LYS A 105 -10.375 -10.694 -2.556 1.00 0.00 C ATOM 571 O LYS A 105 -10.441 -11.718 -1.875 1.00 0.00 O ATOM 572 CB LYS A 105 -12.590 -10.066 -1.579 1.00 0.00 C ATOM 573 CG LYS A 105 -13.546 -8.963 -1.157 1.00 0.00 C ATOM 574 CD LYS A 105 -14.902 -9.522 -0.759 1.00 0.00 C ATOM 575 CE LYS A 105 -15.918 -8.412 -0.535 1.00 0.00 C ATOM 576 NZ LYS A 105 -17.305 -8.861 -0.840 1.00 0.00 N ATOM 0 H LYS A 105 -11.790 -7.983 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.891 -8.766 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.129 -10.787 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.247 -10.597 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.119 -8.411 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -13.670 -8.254 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.262 -10.195 -1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.800 -10.113 0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.865 -8.074 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.667 -7.557 -1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.968 -8.077 -0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.362 -9.160 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.555 -9.661 -0.223 1.00 0.00 H new ATOM 590 N LEU A 106 -9.451 -10.505 -3.491 1.00 0.00 N ATOM 591 CA LEU A 106 -8.436 -11.513 -3.779 1.00 0.00 C ATOM 592 C LEU A 106 -7.425 -11.607 -2.641 1.00 0.00 C ATOM 593 O LEU A 106 -6.824 -10.608 -2.248 1.00 0.00 O ATOM 594 CB LEU A 106 -7.718 -11.183 -5.088 1.00 0.00 C ATOM 595 CG LEU A 106 -8.605 -11.064 -6.328 1.00 0.00 C ATOM 596 CD1 LEU A 106 -7.929 -10.207 -7.388 1.00 0.00 C ATOM 597 CD2 LEU A 106 -8.933 -12.442 -6.884 1.00 0.00 C ATOM 0 H LEU A 106 -9.383 -9.663 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 106 -8.935 -12.477 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.181 -10.243 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.970 -11.954 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.538 -10.580 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.575 -10.134 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.746 -9.210 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.981 -10.663 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.565 -12.338 -7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.010 -12.953 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.459 -13.024 -6.127 1.00 0.00 H new ATOM 609 N GLU A 107 -7.241 -12.815 -2.118 1.00 0.00 N ATOM 610 CA GLU A 107 -6.301 -13.039 -1.026 1.00 0.00 C ATOM 611 C GLU A 107 -5.038 -13.734 -1.529 1.00 0.00 C ATOM 612 O GLU A 107 -5.017 -14.287 -2.629 1.00 0.00 O ATOM 613 CB GLU A 107 -6.954 -13.878 0.075 1.00 0.00 C ATOM 614 CG GLU A 107 -7.099 -15.347 -0.285 1.00 0.00 C ATOM 615 CD GLU A 107 -8.424 -15.655 -0.957 1.00 0.00 C ATOM 616 OE1 GLU A 107 -9.047 -14.718 -1.497 1.00 0.00 O ATOM 617 OE2 GLU A 107 -8.836 -16.834 -0.942 1.00 0.00 O ATOM 0 H GLU A 107 -7.730 -13.653 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.022 -12.068 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.361 -13.792 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.939 -13.468 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.284 -15.637 -0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.005 -15.950 0.618 1.00 0.00 H new ATOM 624 N TYR A 108 -3.989 -13.701 -0.716 1.00 0.00 N ATOM 625 CA TYR A 108 -2.721 -14.324 -1.078 1.00 0.00 C ATOM 626 C TYR A 108 -2.101 -15.035 0.120 1.00 0.00 C ATOM 627 O TYR A 108 -2.627 -14.974 1.231 1.00 0.00 O ATOM 628 CB TYR A 108 -1.750 -13.274 -1.621 1.00 0.00 C ATOM 629 CG TYR A 108 -2.328 -12.432 -2.735 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.859 -13.022 -3.875 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.346 -11.045 -2.646 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.388 -12.256 -4.896 1.00 0.00 C ATOM 633 CE2 TYR A 108 -2.875 -10.271 -3.661 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.394 -10.881 -4.784 1.00 0.00 C ATOM 635 OH TYR A 108 -3.921 -10.114 -5.798 1.00 0.00 O ATOM 0 H TYR A 108 -3.991 -13.249 0.199 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.917 -15.064 -1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.442 -12.620 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.853 -13.775 -1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.858 -14.098 -3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.940 -10.564 -1.769 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.794 -12.731 -5.777 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.882 -9.194 -3.576 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.849 -9.166 -5.562 1.00 0.00 H new ATOM 645 N GLU A 109 -0.980 -15.710 -0.115 1.00 0.00 N ATOM 646 CA GLU A 109 -0.288 -16.433 0.945 1.00 0.00 C ATOM 647 C GLU A 109 0.679 -15.516 1.688 1.00 0.00 C ATOM 648 O GLU A 109 1.401 -14.729 1.076 1.00 0.00 O ATOM 649 CB GLU A 109 0.470 -17.630 0.366 1.00 0.00 C ATOM 650 CG GLU A 109 1.278 -18.397 1.399 1.00 0.00 C ATOM 651 CD GLU A 109 0.424 -18.918 2.538 1.00 0.00 C ATOM 652 OE1 GLU A 109 -0.285 -19.926 2.334 1.00 0.00 O ATOM 653 OE2 GLU A 109 0.463 -18.319 3.633 1.00 0.00 O ATOM 0 H GLU A 109 -0.532 -15.771 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.036 -16.793 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.243 -18.309 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.140 -17.280 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.780 -19.234 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.056 -17.748 1.801 1.00 0.00 H new ATOM 660 N LYS A 110 0.688 -15.624 3.013 1.00 0.00 N ATOM 661 CA LYS A 110 1.565 -14.806 3.841 1.00 0.00 C ATOM 662 C LYS A 110 2.977 -14.767 3.265 1.00 0.00 C ATOM 663 O LYS A 110 3.421 -15.716 2.618 1.00 0.00 O ATOM 664 CB LYS A 110 1.602 -15.349 5.272 1.00 0.00 C ATOM 665 CG LYS A 110 2.717 -14.759 6.118 1.00 0.00 C ATOM 666 CD LYS A 110 2.402 -13.333 6.538 1.00 0.00 C ATOM 667 CE LYS A 110 1.308 -13.291 7.594 1.00 0.00 C ATOM 668 NZ LYS A 110 1.302 -12.000 8.335 1.00 0.00 N ATOM 0 H LYS A 110 0.097 -16.271 3.536 1.00 0.00 H new ATOM 0 HA LYS A 110 1.168 -13.791 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.646 -15.146 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.718 -16.432 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.868 -15.376 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.650 -14.776 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.303 -12.860 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.091 -12.757 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.339 -13.442 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.450 -14.112 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.542 -12.011 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.218 -11.868 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.141 -11.218 7.669 1.00 0.00 H new ATOM 682 N CYS A 111 3.678 -13.664 3.505 1.00 0.00 N ATOM 683 CA CYS A 111 5.040 -13.501 3.010 1.00 0.00 C ATOM 684 C CYS A 111 5.900 -12.749 4.023 1.00 0.00 C ATOM 685 O CYS A 111 5.619 -11.599 4.357 1.00 0.00 O ATOM 686 CB CYS A 111 5.035 -12.754 1.675 1.00 0.00 C ATOM 687 SG CYS A 111 6.625 -12.805 0.788 1.00 0.00 S ATOM 0 H CYS A 111 3.326 -12.870 4.039 1.00 0.00 H new ATOM 0 HA CYS A 111 5.467 -14.493 2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.261 -13.179 1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 111 4.764 -11.713 1.854 1.00 0.00 H new ATOM 0 HG CYS A 111 6.966 -11.600 0.439 1.00 0.00 H new ATOM 692 N GLU A 112 6.948 -13.409 4.506 1.00 0.00 N ATOM 693 CA GLU A 112 7.848 -12.803 5.481 1.00 0.00 C ATOM 694 C GLU A 112 9.023 -12.121 4.785 1.00 0.00 C ATOM 695 O GLU A 112 9.443 -11.032 5.177 1.00 0.00 O ATOM 696 CB GLU A 112 8.363 -13.860 6.459 1.00 0.00 C ATOM 697 CG GLU A 112 7.313 -14.337 7.448 1.00 0.00 C ATOM 698 CD GLU A 112 7.650 -15.686 8.053 1.00 0.00 C ATOM 699 OE1 GLU A 112 8.170 -16.552 7.319 1.00 0.00 O ATOM 700 OE2 GLU A 112 7.394 -15.875 9.260 1.00 0.00 O ATOM 0 H GLU A 112 7.195 -14.362 4.239 1.00 0.00 H new ATOM 0 HA GLU A 112 7.289 -12.049 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.733 -14.716 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.210 -13.451 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 112 7.210 -13.601 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.348 -14.400 6.945 1.00 0.00 H new ATOM 707 N ARG A 113 9.550 -12.772 3.753 1.00 0.00 N ATOM 708 CA ARG A 113 10.678 -12.231 3.004 1.00 0.00 C ATOM 709 C ARG A 113 10.566 -10.714 2.873 1.00 0.00 C ATOM 710 O ARG A 113 11.570 -10.002 2.910 1.00 0.00 O ATOM 711 CB ARG A 113 10.750 -12.870 1.616 1.00 0.00 C ATOM 712 CG ARG A 113 11.454 -14.216 1.601 1.00 0.00 C ATOM 713 CD ARG A 113 12.960 -14.056 1.458 1.00 0.00 C ATOM 714 NE ARG A 113 13.314 -13.213 0.319 1.00 0.00 N ATOM 715 CZ ARG A 113 13.391 -13.659 -0.930 1.00 0.00 C ATOM 716 NH1 ARG A 113 13.138 -14.932 -1.199 1.00 0.00 N ATOM 717 NH2 ARG A 113 13.720 -12.830 -1.912 1.00 0.00 N ATOM 0 H ARG A 113 9.214 -13.674 3.417 1.00 0.00 H new ATOM 0 HA ARG A 113 11.591 -12.465 3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.738 -12.994 1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.268 -12.191 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.230 -14.755 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.071 -14.819 0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 113 13.367 -13.622 2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.419 -15.037 1.340 1.00 0.00 H new ATOM 0 HE ARG A 113 13.513 -12.228 0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.884 -15.572 -0.446 1.00 0.00 H new ATOM 0 HH12 ARG A 113 13.198 -15.272 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.914 -11.850 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.779 -13.173 -2.871 1.00 0.00 H new ATOM 731 N SER A 114 9.339 -10.228 2.718 1.00 0.00 N ATOM 732 CA SER A 114 9.096 -8.797 2.576 1.00 0.00 C ATOM 733 C SER A 114 9.573 -8.297 1.216 1.00 0.00 C ATOM 734 O SER A 114 10.103 -7.192 1.099 1.00 0.00 O ATOM 735 CB SER A 114 9.803 -8.026 3.692 1.00 0.00 C ATOM 736 OG SER A 114 9.104 -6.834 4.011 1.00 0.00 O ATOM 0 H SER A 114 8.498 -10.804 2.688 1.00 0.00 H new ATOM 0 HA SER A 114 8.022 -8.627 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.881 -8.654 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.820 -7.783 3.383 1.00 0.00 H new ATOM 0 HG SER A 114 9.575 -6.360 4.728 1.00 0.00 H new ATOM 742 N CYS A 115 9.382 -9.119 0.190 1.00 0.00 N ATOM 743 CA CYS A 115 9.792 -8.763 -1.163 1.00 0.00 C ATOM 744 C CYS A 115 9.619 -7.267 -1.408 1.00 0.00 C ATOM 745 O CYS A 115 8.718 -6.636 -0.854 1.00 0.00 O ATOM 746 CB CYS A 115 8.981 -9.556 -2.190 1.00 0.00 C ATOM 747 SG CYS A 115 8.770 -11.317 -1.771 1.00 0.00 S ATOM 0 H CYS A 115 8.945 -10.037 0.270 1.00 0.00 H new ATOM 0 HA CYS A 115 10.847 -9.012 -1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.997 -9.098 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.471 -9.481 -3.161 1.00 0.00 H new ATOM 0 HG CYS A 115 7.528 -11.659 -1.945 1.00 0.00 H new ATOM 752 N LYS A 116 10.488 -6.705 -2.241 1.00 0.00 N ATOM 753 CA LYS A 116 10.432 -5.284 -2.562 1.00 0.00 C ATOM 754 C LYS A 116 9.862 -5.064 -3.960 1.00 0.00 C ATOM 755 O LYS A 116 10.413 -5.550 -4.948 1.00 0.00 O ATOM 756 CB LYS A 116 11.827 -4.663 -2.465 1.00 0.00 C ATOM 757 CG LYS A 116 12.305 -4.464 -1.037 1.00 0.00 C ATOM 758 CD LYS A 116 13.682 -3.822 -0.995 1.00 0.00 C ATOM 759 CE LYS A 116 14.438 -4.207 0.268 1.00 0.00 C ATOM 760 NZ LYS A 116 15.911 -4.075 0.094 1.00 0.00 N ATOM 0 H LYS A 116 11.240 -7.213 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 116 9.774 -4.800 -1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.537 -5.301 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.823 -3.700 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.594 -3.838 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.335 -5.426 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.254 -4.128 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.581 -2.738 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.112 -3.575 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.195 -5.235 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.390 -4.346 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 16.227 -4.697 -0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.146 -3.089 -0.139 1.00 0.00 H new ATOM 774 N ILE A 117 8.759 -4.328 -4.036 1.00 0.00 N ATOM 775 CA ILE A 117 8.117 -4.042 -5.313 1.00 0.00 C ATOM 776 C ILE A 117 8.929 -3.036 -6.122 1.00 0.00 C ATOM 777 O ILE A 117 8.881 -1.834 -5.863 1.00 0.00 O ATOM 778 CB ILE A 117 6.691 -3.495 -5.117 1.00 0.00 C ATOM 779 CG1 ILE A 117 5.881 -4.432 -4.218 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.003 -3.316 -6.462 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.514 -5.740 -4.883 1.00 0.00 C ATOM 0 H ILE A 117 8.291 -3.918 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 117 8.063 -4.985 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 117 6.755 -2.521 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.454 -4.641 -3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.969 -3.924 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.996 -2.929 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.572 -2.614 -7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.947 -4.277 -6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 117 4.941 -6.354 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.914 -5.541 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.422 -6.269 -5.171 1.00 0.00 H new ATOM 793 N GLN A 118 9.671 -3.537 -7.104 1.00 0.00 N ATOM 794 CA GLN A 118 10.492 -2.681 -7.953 1.00 0.00 C ATOM 795 C GLN A 118 9.766 -2.343 -9.250 1.00 0.00 C ATOM 796 O GLN A 118 9.055 -3.177 -9.812 1.00 0.00 O ATOM 797 CB GLN A 118 11.826 -3.363 -8.263 1.00 0.00 C ATOM 798 CG GLN A 118 12.811 -2.468 -8.997 1.00 0.00 C ATOM 799 CD GLN A 118 13.549 -1.527 -8.067 1.00 0.00 C ATOM 800 OE1 GLN A 118 14.536 -1.907 -7.435 1.00 0.00 O ATOM 801 NE2 GLN A 118 13.075 -0.290 -7.977 1.00 0.00 N ATOM 0 H GLN A 118 9.721 -4.530 -7.332 1.00 0.00 H new ATOM 0 HA GLN A 118 10.683 -1.753 -7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.278 -3.698 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.639 -4.253 -8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 118 13.533 -3.088 -9.528 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.277 -1.886 -9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.255 -0.018 -8.518 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.531 0.388 -7.366 1.00 0.00 H new ATOM 810 N LYS A 119 9.949 -1.114 -9.722 1.00 0.00 N ATOM 811 CA LYS A 119 9.312 -0.664 -10.954 1.00 0.00 C ATOM 812 C LYS A 119 9.657 -1.592 -12.115 1.00 0.00 C ATOM 813 O LYS A 119 8.786 -1.977 -12.896 1.00 0.00 O ATOM 814 CB LYS A 119 9.746 0.766 -11.284 1.00 0.00 C ATOM 815 CG LYS A 119 11.230 0.899 -11.576 1.00 0.00 C ATOM 816 CD LYS A 119 11.648 2.356 -11.684 1.00 0.00 C ATOM 817 CE LYS A 119 12.018 2.932 -10.326 1.00 0.00 C ATOM 818 NZ LYS A 119 13.310 2.385 -9.825 1.00 0.00 N ATOM 0 H LYS A 119 10.534 -0.412 -9.269 1.00 0.00 H new ATOM 0 HA LYS A 119 8.233 -0.684 -10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.181 1.118 -12.147 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.489 1.417 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.802 0.413 -10.786 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.467 0.382 -12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.498 2.442 -12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.835 2.938 -12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.087 4.017 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.227 2.710 -9.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.202 2.094 -8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.585 1.563 -10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.046 3.116 -9.893 1.00 0.00 H new ATOM 832 N LYS A 120 10.932 -1.949 -12.222 1.00 0.00 N ATOM 833 CA LYS A 120 11.393 -2.834 -13.285 1.00 0.00 C ATOM 834 C LYS A 120 10.674 -4.178 -13.224 1.00 0.00 C ATOM 835 O LYS A 120 10.141 -4.653 -14.226 1.00 0.00 O ATOM 836 CB LYS A 120 12.905 -3.048 -13.180 1.00 0.00 C ATOM 837 CG LYS A 120 13.584 -3.263 -14.521 1.00 0.00 C ATOM 838 CD LYS A 120 14.119 -1.960 -15.090 1.00 0.00 C ATOM 839 CE LYS A 120 13.091 -1.274 -15.976 1.00 0.00 C ATOM 840 NZ LYS A 120 13.570 0.050 -16.460 1.00 0.00 N ATOM 0 H LYS A 120 11.665 -1.639 -11.585 1.00 0.00 H new ATOM 0 HA LYS A 120 11.165 -2.362 -14.241 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.353 -2.183 -12.690 1.00 0.00 H new ATOM 0 HB3 LYS A 120 13.098 -3.911 -12.542 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.402 -3.974 -14.406 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.875 -3.704 -15.222 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.400 -1.294 -14.274 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.023 -2.157 -15.666 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.864 -1.912 -16.830 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.162 -1.143 -15.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.841 0.485 -17.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.762 0.668 -15.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.442 -0.077 -17.012 1.00 0.00 H new ATOM 854 N ASN A 121 10.662 -4.785 -12.042 1.00 0.00 N ATOM 855 CA ASN A 121 10.006 -6.074 -11.851 1.00 0.00 C ATOM 856 C ASN A 121 9.026 -6.018 -10.683 1.00 0.00 C ATOM 857 O ASN A 121 9.224 -6.675 -9.661 1.00 0.00 O ATOM 858 CB ASN A 121 11.048 -7.167 -11.605 1.00 0.00 C ATOM 859 CG ASN A 121 11.681 -7.662 -12.891 1.00 0.00 C ATOM 860 OD1 ASN A 121 10.987 -8.082 -13.816 1.00 0.00 O ATOM 861 ND2 ASN A 121 13.007 -7.615 -12.953 1.00 0.00 N ATOM 0 H ASN A 121 11.099 -4.405 -11.202 1.00 0.00 H new ATOM 0 HA ASN A 121 9.449 -6.309 -12.758 1.00 0.00 H new ATOM 0 HB2 ASN A 121 11.826 -6.782 -10.945 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.578 -8.004 -11.089 1.00 0.00 H new ATOM 0 HD21 ASN A 121 13.490 -7.935 -13.792 1.00 0.00 H new ATOM 0 HD22 ASN A 121 13.542 -7.259 -12.161 1.00 0.00 H new ATOM 868 N ARG A 122 7.968 -5.229 -10.843 1.00 0.00 N ATOM 869 CA ARG A 122 6.957 -5.087 -9.803 1.00 0.00 C ATOM 870 C ARG A 122 6.069 -6.326 -9.734 1.00 0.00 C ATOM 871 O ARG A 122 5.501 -6.637 -8.688 1.00 0.00 O ATOM 872 CB ARG A 122 6.100 -3.846 -10.061 1.00 0.00 C ATOM 873 CG ARG A 122 5.346 -3.891 -11.379 1.00 0.00 C ATOM 874 CD ARG A 122 4.410 -2.701 -11.527 1.00 0.00 C ATOM 875 NE ARG A 122 4.131 -2.394 -12.927 1.00 0.00 N ATOM 876 CZ ARG A 122 5.052 -1.967 -13.784 1.00 0.00 C ATOM 877 NH1 ARG A 122 6.305 -1.797 -13.385 1.00 0.00 N ATOM 878 NH2 ARG A 122 4.720 -1.709 -15.042 1.00 0.00 N ATOM 0 H ARG A 122 7.789 -4.679 -11.683 1.00 0.00 H new ATOM 0 HA ARG A 122 7.469 -4.975 -8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.385 -3.733 -9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.740 -2.964 -10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.056 -3.901 -12.206 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.773 -4.816 -11.440 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.474 -2.909 -11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.854 -1.829 -11.046 1.00 0.00 H new ATOM 0 HE ARG A 122 3.176 -2.514 -13.266 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.564 -1.994 -12.418 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.010 -1.469 -14.045 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.757 -1.838 -15.352 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.428 -1.381 -15.699 1.00 0.00 H new ATOM 892 N ASN A 123 5.956 -7.029 -10.856 1.00 0.00 N ATOM 893 CA ASN A 123 5.136 -8.234 -10.924 1.00 0.00 C ATOM 894 C ASN A 123 5.910 -9.447 -10.416 1.00 0.00 C ATOM 895 O ASN A 123 6.205 -10.371 -11.174 1.00 0.00 O ATOM 896 CB ASN A 123 4.669 -8.478 -12.360 1.00 0.00 C ATOM 897 CG ASN A 123 5.824 -8.558 -13.339 1.00 0.00 C ATOM 898 OD1 ASN A 123 6.252 -7.408 -13.846 1.00 0.00 O flip ATOM 899 ND2 ASN A 123 6.327 -9.642 -13.635 1.00 0.00 N flip ATOM 0 H ASN A 123 6.421 -6.786 -11.730 1.00 0.00 H new ATOM 0 HA ASN A 123 4.265 -8.087 -10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.097 -9.405 -12.400 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.996 -7.675 -12.661 1.00 0.00 H new ATOM 0 HD21 ASN A 123 5.966 -10.502 -13.221 1.00 0.00 H new ATOM 0 HD22 ASN A 123 7.105 -9.680 -14.294 1.00 0.00 H new ATOM 906 N LYS A 124 6.235 -9.437 -9.128 1.00 0.00 N ATOM 907 CA LYS A 124 6.972 -10.537 -8.516 1.00 0.00 C ATOM 908 C LYS A 124 6.152 -11.192 -7.409 1.00 0.00 C ATOM 909 O LYS A 124 5.783 -12.363 -7.507 1.00 0.00 O ATOM 910 CB LYS A 124 8.302 -10.034 -7.951 1.00 0.00 C ATOM 911 CG LYS A 124 9.364 -9.798 -9.011 1.00 0.00 C ATOM 912 CD LYS A 124 10.753 -9.718 -8.401 1.00 0.00 C ATOM 913 CE LYS A 124 11.818 -10.201 -9.374 1.00 0.00 C ATOM 914 NZ LYS A 124 13.153 -9.615 -9.071 1.00 0.00 N ATOM 0 H LYS A 124 6.000 -8.679 -8.487 1.00 0.00 H new ATOM 0 HA LYS A 124 7.170 -11.282 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.128 -9.104 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.677 -10.758 -7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.333 -10.604 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.147 -8.873 -9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 124 10.965 -8.689 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.788 -10.320 -7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.881 -11.288 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.528 -9.937 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.851 -9.969 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.100 -8.578 -9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 13.442 -9.888 -8.110 1.00 0.00 H new ATOM 928 N CYS A 125 5.870 -10.430 -6.358 1.00 0.00 N ATOM 929 CA CYS A 125 5.093 -10.936 -5.233 1.00 0.00 C ATOM 930 C CYS A 125 3.758 -10.205 -5.121 1.00 0.00 C ATOM 931 O CYS A 125 3.688 -8.990 -5.303 1.00 0.00 O ATOM 932 CB CYS A 125 5.882 -10.782 -3.931 1.00 0.00 C ATOM 933 SG CYS A 125 5.166 -11.679 -2.517 1.00 0.00 S ATOM 0 H CYS A 125 6.168 -9.459 -6.262 1.00 0.00 H new ATOM 0 HA CYS A 125 4.895 -11.994 -5.407 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.901 -11.134 -4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.946 -9.723 -3.681 1.00 0.00 H new ATOM 0 HG CYS A 125 5.438 -11.042 -1.417 1.00 0.00 H new ATOM 938 N GLN A 126 2.703 -10.955 -4.821 1.00 0.00 N ATOM 939 CA GLN A 126 1.371 -10.379 -4.685 1.00 0.00 C ATOM 940 C GLN A 126 1.130 -9.893 -3.260 1.00 0.00 C ATOM 941 O GLN A 126 0.557 -8.824 -3.046 1.00 0.00 O ATOM 942 CB GLN A 126 0.306 -11.406 -5.073 1.00 0.00 C ATOM 943 CG GLN A 126 -0.038 -11.396 -6.554 1.00 0.00 C ATOM 944 CD GLN A 126 1.156 -11.713 -7.433 1.00 0.00 C ATOM 945 OE1 GLN A 126 1.993 -10.850 -7.698 1.00 0.00 O ATOM 946 NE2 GLN A 126 1.241 -12.957 -7.890 1.00 0.00 N ATOM 0 H GLN A 126 2.745 -11.963 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 126 1.303 -9.524 -5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.655 -12.401 -4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.599 -11.214 -4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.828 -12.123 -6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.434 -10.417 -6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.524 -13.640 -7.645 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.023 -13.229 -8.486 1.00 0.00 H new ATOM 955 N TYR A 127 1.570 -10.684 -2.288 1.00 0.00 N ATOM 956 CA TYR A 127 1.400 -10.336 -0.883 1.00 0.00 C ATOM 957 C TYR A 127 2.055 -8.994 -0.570 1.00 0.00 C ATOM 958 O TYR A 127 1.374 -8.009 -0.286 1.00 0.00 O ATOM 959 CB TYR A 127 1.995 -11.427 0.010 1.00 0.00 C ATOM 960 CG TYR A 127 1.451 -11.418 1.421 1.00 0.00 C ATOM 961 CD1 TYR A 127 0.183 -11.910 1.701 1.00 0.00 C ATOM 962 CD2 TYR A 127 2.207 -10.919 2.474 1.00 0.00 C ATOM 963 CE1 TYR A 127 -0.318 -11.903 2.988 1.00 0.00 C ATOM 964 CE2 TYR A 127 1.715 -10.909 3.765 1.00 0.00 C ATOM 965 CZ TYR A 127 0.451 -11.402 4.017 1.00 0.00 C ATOM 966 OH TYR A 127 -0.043 -11.395 5.301 1.00 0.00 O ATOM 0 H TYR A 127 2.047 -11.571 -2.448 1.00 0.00 H new ATOM 0 HA TYR A 127 0.332 -10.254 -0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 127 1.799 -12.400 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 127 3.078 -11.305 0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -0.422 -12.305 0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.197 -10.532 2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -1.307 -12.288 3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 127 2.316 -10.518 4.572 1.00 0.00 H new ATOM 0 HH TYR A 127 -0.662 -12.146 5.417 1.00 0.00 H new ATOM 976 N CYS A 128 3.383 -8.964 -0.626 1.00 0.00 N ATOM 977 CA CYS A 128 4.132 -7.745 -0.351 1.00 0.00 C ATOM 978 C CYS A 128 3.540 -6.559 -1.106 1.00 0.00 C ATOM 979 O CYS A 128 3.555 -5.429 -0.619 1.00 0.00 O ATOM 980 CB CYS A 128 5.602 -7.926 -0.736 1.00 0.00 C ATOM 981 SG CYS A 128 6.481 -9.177 0.255 1.00 0.00 S ATOM 0 H CYS A 128 3.962 -9.771 -0.860 1.00 0.00 H new ATOM 0 HA CYS A 128 4.065 -7.542 0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.659 -8.205 -1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 128 6.114 -6.970 -0.632 1.00 0.00 H new ATOM 0 HG CYS A 128 7.120 -9.987 -0.536 1.00 0.00 H new ATOM 986 N ARG A 129 3.019 -6.826 -2.300 1.00 0.00 N ATOM 987 CA ARG A 129 2.422 -5.781 -3.123 1.00 0.00 C ATOM 988 C ARG A 129 1.226 -5.149 -2.418 1.00 0.00 C ATOM 989 O ARG A 129 1.154 -3.930 -2.266 1.00 0.00 O ATOM 990 CB ARG A 129 1.988 -6.353 -4.474 1.00 0.00 C ATOM 991 CG ARG A 129 1.674 -5.289 -5.514 1.00 0.00 C ATOM 992 CD ARG A 129 1.087 -5.901 -6.776 1.00 0.00 C ATOM 993 NE ARG A 129 0.603 -4.881 -7.703 1.00 0.00 N ATOM 994 CZ ARG A 129 1.403 -4.080 -8.398 1.00 0.00 C ATOM 995 NH1 ARG A 129 2.719 -4.180 -8.271 1.00 0.00 N ATOM 996 NH2 ARG A 129 0.887 -3.177 -9.222 1.00 0.00 N ATOM 0 H ARG A 129 2.998 -7.756 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 129 3.174 -5.009 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.778 -7.000 -4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.107 -6.978 -4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.971 -4.567 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.583 -4.742 -5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.844 -6.510 -7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.267 -6.567 -6.509 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.405 -4.778 -7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.119 -4.873 -7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.331 -3.564 -8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.125 -3.097 -9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.502 -2.562 -9.755 1.00 0.00 H new ATOM 1010 N PHE A 130 0.288 -5.987 -1.990 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.907 -5.511 -1.302 1.00 0.00 C ATOM 1012 C PHE A 130 -0.552 -4.930 0.064 1.00 0.00 C ATOM 1013 O PHE A 130 -1.037 -3.862 0.439 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.915 -6.651 -1.137 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.239 -6.204 -0.588 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -4.056 -5.355 -1.317 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.668 -6.633 0.658 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.276 -4.943 -0.815 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.887 -6.225 1.166 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.691 -5.378 0.429 1.00 0.00 C ATOM 0 H PHE A 130 0.332 -6.999 -2.107 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.355 -4.724 -1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -2.074 -7.128 -2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.492 -7.406 -0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.736 -5.011 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -3.042 -7.294 1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.904 -4.282 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.210 -6.568 2.138 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.643 -5.056 0.825 1.00 0.00 H new ATOM 1030 N GLN A 131 0.296 -5.640 0.801 1.00 0.00 N ATOM 1031 CA GLN A 131 0.714 -5.195 2.125 1.00 0.00 C ATOM 1032 C GLN A 131 1.261 -3.772 2.074 1.00 0.00 C ATOM 1033 O GLN A 131 0.899 -2.926 2.892 1.00 0.00 O ATOM 1034 CB GLN A 131 1.773 -6.140 2.693 1.00 0.00 C ATOM 1035 CG GLN A 131 1.209 -7.467 3.176 1.00 0.00 C ATOM 1036 CD GLN A 131 0.349 -7.319 4.415 1.00 0.00 C ATOM 1037 OE1 GLN A 131 -0.817 -7.715 4.427 1.00 0.00 O ATOM 1038 NE2 GLN A 131 0.921 -6.747 5.468 1.00 0.00 N ATOM 0 H GLN A 131 0.707 -6.525 0.504 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.160 -5.206 2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.525 -6.332 1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.280 -5.647 3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.617 -7.917 2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.031 -8.151 3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 131 1.890 -6.433 5.414 1.00 0.00 H new ATOM 0 HE22 GLN A 131 0.391 -6.621 6.331 1.00 0.00 H new ATOM 1047 N LYS A 132 2.135 -3.514 1.107 1.00 0.00 N ATOM 1048 CA LYS A 132 2.732 -2.193 0.947 1.00 0.00 C ATOM 1049 C LYS A 132 1.655 -1.120 0.828 1.00 0.00 C ATOM 1050 O LYS A 132 1.738 -0.070 1.467 1.00 0.00 O ATOM 1051 CB LYS A 132 3.634 -2.165 -0.289 1.00 0.00 C ATOM 1052 CG LYS A 132 4.408 -0.868 -0.448 1.00 0.00 C ATOM 1053 CD LYS A 132 5.709 -1.084 -1.202 1.00 0.00 C ATOM 1054 CE LYS A 132 6.550 0.183 -1.238 1.00 0.00 C ATOM 1055 NZ LYS A 132 8.004 -0.118 -1.345 1.00 0.00 N ATOM 0 H LYS A 132 2.446 -4.203 0.422 1.00 0.00 H new ATOM 0 HA LYS A 132 3.332 -1.983 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.339 -2.994 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.023 -2.325 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.795 -0.140 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.621 -0.448 0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.276 -1.885 -0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.491 -1.406 -2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.244 0.798 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.366 0.767 -0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.542 0.772 -1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.303 -0.683 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 8.184 -0.653 -2.218 1.00 0.00 H new ATOM 1069 N CYS A 133 0.645 -1.390 0.009 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.450 -0.447 -0.192 1.00 0.00 C ATOM 1071 C CYS A 133 -1.100 -0.077 1.137 1.00 0.00 C ATOM 1072 O CYS A 133 -1.474 1.076 1.358 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.495 -1.042 -1.136 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.017 -1.013 -2.880 1.00 0.00 S ATOM 0 H CYS A 133 0.561 -2.254 -0.527 1.00 0.00 H new ATOM 0 HA CYS A 133 -0.040 0.458 -0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.690 -2.073 -0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.430 -0.494 -1.017 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.964 -1.539 -3.598 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.233 -1.061 2.019 1.00 0.00 N ATOM 1081 CA LEU A 134 -1.839 -0.839 3.327 1.00 0.00 C ATOM 1082 C LEU A 134 -0.939 0.024 4.206 1.00 0.00 C ATOM 1083 O LEU A 134 -1.401 0.970 4.844 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.113 -2.177 4.017 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.178 -3.061 3.368 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -2.970 -4.518 3.753 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.572 -2.597 3.765 1.00 0.00 C ATOM 0 H LEU A 134 -0.929 -2.020 1.852 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.782 -0.313 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.180 -2.739 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.412 -1.978 5.046 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.083 -2.975 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.737 -5.132 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.986 -4.846 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.037 -4.621 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.317 -3.238 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.679 -2.652 4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.720 -1.568 3.438 1.00 0.00 H new ATOM 1099 N ALA A 135 0.347 -0.307 4.232 1.00 0.00 N ATOM 1100 CA ALA A 135 1.313 0.440 5.028 1.00 0.00 C ATOM 1101 C ALA A 135 1.335 1.911 4.625 1.00 0.00 C ATOM 1102 O ALA A 135 1.683 2.779 5.426 1.00 0.00 O ATOM 1103 CB ALA A 135 2.699 -0.169 4.885 1.00 0.00 C ATOM 0 H ALA A 135 0.745 -1.088 3.711 1.00 0.00 H new ATOM 0 HA ALA A 135 1.009 0.381 6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.410 0.399 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.679 -1.203 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.003 -0.140 3.839 1.00 0.00 H new ATOM 1109 N LEU A 136 0.963 2.184 3.379 1.00 0.00 N ATOM 1110 CA LEU A 136 0.941 3.550 2.869 1.00 0.00 C ATOM 1111 C LEU A 136 -0.227 4.333 3.460 1.00 0.00 C ATOM 1112 O LEU A 136 -0.261 5.561 3.395 1.00 0.00 O ATOM 1113 CB LEU A 136 0.847 3.545 1.342 1.00 0.00 C ATOM 1114 CG LEU A 136 2.088 3.057 0.595 1.00 0.00 C ATOM 1115 CD1 LEU A 136 1.767 2.814 -0.872 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.223 4.061 0.735 1.00 0.00 C ATOM 0 H LEU A 136 0.673 1.477 2.703 1.00 0.00 H new ATOM 0 HA LEU A 136 1.869 4.038 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.003 2.919 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.622 4.558 1.009 1.00 0.00 H new ATOM 0 HG LEU A 136 2.407 2.113 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.662 2.467 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.986 2.058 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.423 3.742 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.099 3.698 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.914 5.020 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.471 4.186 1.789 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.184 3.613 4.038 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.340 4.257 4.633 1.00 0.00 C ATOM 1130 C GLY A 137 -3.536 4.276 3.703 1.00 0.00 C ATOM 1131 O GLY A 137 -4.586 4.821 4.043 1.00 0.00 O ATOM 0 H GLY A 137 -1.179 2.595 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.608 3.738 5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.081 5.280 4.908 1.00 0.00 H new ATOM 1135 N MET A 138 -3.378 3.680 2.526 1.00 0.00 N ATOM 1136 CA MET A 138 -4.455 3.631 1.543 1.00 0.00 C ATOM 1137 C MET A 138 -5.792 3.342 2.217 1.00 0.00 C ATOM 1138 O MET A 138 -5.992 2.269 2.786 1.00 0.00 O ATOM 1139 CB MET A 138 -4.161 2.565 0.486 1.00 0.00 C ATOM 1140 CG MET A 138 -3.336 3.079 -0.682 1.00 0.00 C ATOM 1141 SD MET A 138 -3.310 1.931 -2.073 1.00 0.00 S ATOM 1142 CE MET A 138 -2.806 3.020 -3.402 1.00 0.00 C ATOM 0 H MET A 138 -2.515 3.224 2.229 1.00 0.00 H new ATOM 0 HA MET A 138 -4.516 4.605 1.058 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.633 1.735 0.956 1.00 0.00 H new ATOM 0 HB3 MET A 138 -5.104 2.170 0.108 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.739 4.036 -1.013 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.315 3.262 -0.348 1.00 0.00 H new ATOM 0 HE1 MET A 138 -3.047 2.560 -4.360 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.332 3.970 -3.313 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.732 3.193 -3.343 1.00 0.00 H new ATOM 1152 N SER A 139 -6.705 4.306 2.148 1.00 0.00 N ATOM 1153 CA SER A 139 -8.022 4.155 2.756 1.00 0.00 C ATOM 1154 C SER A 139 -8.949 3.351 1.849 1.00 0.00 C ATOM 1155 O SER A 139 -9.844 3.904 1.209 1.00 0.00 O ATOM 1156 CB SER A 139 -8.635 5.528 3.042 1.00 0.00 C ATOM 1157 OG SER A 139 -8.648 6.333 1.876 1.00 0.00 O ATOM 0 H SER A 139 -6.557 5.199 1.678 1.00 0.00 H new ATOM 0 HA SER A 139 -7.902 3.615 3.695 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.652 5.405 3.414 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.066 6.028 3.826 1.00 0.00 H new ATOM 0 HG SER A 139 -9.081 5.844 1.146 1.00 0.00 H new ATOM 1163 N HIS A 140 -8.728 2.041 1.800 1.00 0.00 N ATOM 1164 CA HIS A 140 -9.544 1.158 0.973 1.00 0.00 C ATOM 1165 C HIS A 140 -11.030 1.412 1.209 1.00 0.00 C ATOM 1166 O HIS A 140 -11.791 1.621 0.265 1.00 0.00 O ATOM 1167 CB HIS A 140 -9.211 -0.304 1.270 1.00 0.00 C ATOM 1168 CG HIS A 140 -9.714 -0.775 2.600 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -8.949 -0.746 3.747 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -10.913 -1.287 2.962 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -9.655 -1.222 4.757 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -10.851 -1.557 4.307 1.00 0.00 N ATOM 0 H HIS A 140 -7.991 1.567 2.323 1.00 0.00 H new ATOM 0 HA HIS A 140 -9.319 1.369 -0.072 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -9.637 -0.931 0.487 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -8.130 -0.437 1.232 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -11.761 -1.453 2.314 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -9.313 -1.320 5.777 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -11.606 -1.952 4.868 1.00 0.00 H new