USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 667 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0791 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= 0 (180deg=-0.258) USER MOD Single : A 40 SER OG : rot 93:sc= 0.632 USER MOD Single : A 46 MET CE :methyl 161:sc= -4.55! (180deg=-5.01!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 176:sc= -4.35 (180deg=-4.64!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -1.47 K(o=-1.5,f=0.07) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 10:sc= -0.849 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.35! C(o=-2.4!,f=-3.5!) USER MOD Single : A 82 ASN : amide:sc= -5.38! K(o=-5.4!,f=-1.7) USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0347) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 0.979 (180deg=0.911) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.3! C(o=-2.3!,f=-6.9!) USER MOD Single : A 95 LYS NZ :NH3+ -163:sc= -0.009 (180deg=-0.18) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.075 -0.801 -12.018 1.00 0.00 N ATOM 143 CA GLU A 10 -8.389 -2.087 -11.999 1.00 0.00 C ATOM 144 C GLU A 10 -9.355 -3.251 -12.177 1.00 0.00 C ATOM 145 O GLU A 10 -10.444 -3.265 -11.602 1.00 0.00 O ATOM 146 CB GLU A 10 -7.599 -2.269 -10.698 1.00 0.00 C ATOM 147 CG GLU A 10 -7.073 -0.977 -10.091 1.00 0.00 C ATOM 148 CD GLU A 10 -5.803 -1.185 -9.290 1.00 0.00 C ATOM 149 OE1 GLU A 10 -4.850 -1.784 -9.832 1.00 0.00 O ATOM 150 OE2 GLU A 10 -5.761 -0.750 -8.119 1.00 0.00 O ATOM 0 HA GLU A 10 -7.698 -2.086 -12.842 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.237 -2.765 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.757 -2.934 -10.889 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.883 -0.257 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.838 -0.545 -9.446 1.00 0.00 H new ATOM 157 N LYS A 11 -8.935 -4.238 -12.968 1.00 0.00 N ATOM 158 CA LYS A 11 -9.748 -5.423 -13.211 1.00 0.00 C ATOM 159 C LYS A 11 -9.854 -6.248 -11.929 1.00 0.00 C ATOM 160 O LYS A 11 -9.685 -5.713 -10.834 1.00 0.00 O ATOM 161 CB LYS A 11 -9.139 -6.258 -14.344 1.00 0.00 C ATOM 162 CG LYS A 11 -9.125 -5.549 -15.688 1.00 0.00 C ATOM 163 CD LYS A 11 -8.412 -6.376 -16.746 1.00 0.00 C ATOM 164 CE LYS A 11 -8.323 -5.631 -18.071 1.00 0.00 C ATOM 165 NZ LYS A 11 -7.527 -6.383 -19.081 1.00 0.00 N ATOM 0 H LYS A 11 -8.036 -4.238 -13.450 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.749 -5.116 -13.513 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.118 -6.528 -14.075 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.700 -7.188 -14.440 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.148 -5.352 -16.007 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.631 -4.583 -15.586 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.409 -6.625 -16.400 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.942 -7.317 -16.892 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.327 -5.457 -18.457 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.870 -4.653 -17.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.491 -5.841 -19.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.561 -6.527 -18.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.973 -7.306 -19.257 1.00 0.00 H new ATOM 179 N ASP A 12 -10.131 -7.543 -12.055 1.00 0.00 N ATOM 180 CA ASP A 12 -10.249 -8.404 -10.882 1.00 0.00 C ATOM 181 C ASP A 12 -9.379 -9.651 -11.012 1.00 0.00 C ATOM 182 O ASP A 12 -9.607 -10.648 -10.330 1.00 0.00 O ATOM 183 CB ASP A 12 -11.710 -8.800 -10.662 1.00 0.00 C ATOM 184 CG ASP A 12 -12.383 -7.959 -9.596 1.00 0.00 C ATOM 185 OD1 ASP A 12 -12.061 -8.145 -8.403 1.00 0.00 O ATOM 186 OD2 ASP A 12 -13.230 -7.114 -9.952 1.00 0.00 O ATOM 0 H ASP A 12 -10.277 -8.015 -12.947 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.896 -7.840 -10.018 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.256 -8.698 -11.600 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.760 -9.851 -10.377 1.00 0.00 H new ATOM 191 N GLY A 13 -8.384 -9.592 -11.892 1.00 0.00 N ATOM 192 CA GLY A 13 -7.503 -10.729 -12.090 1.00 0.00 C ATOM 193 C GLY A 13 -6.158 -10.562 -11.405 1.00 0.00 C ATOM 194 O GLY A 13 -6.020 -9.758 -10.483 1.00 0.00 O ATOM 0 H GLY A 13 -8.172 -8.779 -12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.989 -11.628 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.345 -10.878 -13.158 1.00 0.00 H new ATOM 198 N ALA A 14 -5.169 -11.334 -11.850 1.00 0.00 N ATOM 199 CA ALA A 14 -3.830 -11.281 -11.270 1.00 0.00 C ATOM 200 C ALA A 14 -3.108 -9.985 -11.631 1.00 0.00 C ATOM 201 O ALA A 14 -3.696 -9.074 -12.212 1.00 0.00 O ATOM 202 CB ALA A 14 -3.017 -12.482 -11.724 1.00 0.00 C ATOM 0 H ALA A 14 -5.271 -12.005 -12.612 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.936 -11.307 -10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.020 -12.433 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.511 -13.399 -11.401 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.936 -12.477 -12.811 1.00 0.00 H new ATOM 208 N VAL A 15 -1.811 -9.939 -11.331 1.00 0.00 N ATOM 209 CA VAL A 15 -0.988 -8.782 -11.676 1.00 0.00 C ATOM 210 C VAL A 15 -0.823 -8.666 -13.188 1.00 0.00 C ATOM 211 O VAL A 15 -0.794 -9.676 -13.891 1.00 0.00 O ATOM 212 CB VAL A 15 0.403 -8.844 -11.018 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.182 -10.053 -11.510 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.174 -7.557 -11.278 1.00 0.00 C ATOM 0 H VAL A 15 -1.309 -10.687 -10.852 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.509 -7.903 -11.295 1.00 0.00 H new ATOM 0 HB VAL A 15 0.268 -8.949 -9.942 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.161 -10.075 -11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.636 -10.963 -11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.308 -9.989 -12.591 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.154 -7.619 -10.806 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.297 -7.417 -12.352 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.624 -6.713 -10.863 1.00 0.00 H new ATOM 224 N GLU A 16 -0.670 -7.447 -13.689 1.00 0.00 N ATOM 225 CA GLU A 16 -0.457 -7.232 -15.113 1.00 0.00 C ATOM 226 C GLU A 16 0.649 -6.200 -15.326 1.00 0.00 C ATOM 227 O GLU A 16 1.058 -5.518 -14.388 1.00 0.00 O ATOM 228 CB GLU A 16 -1.750 -6.799 -15.814 1.00 0.00 C ATOM 229 CG GLU A 16 -2.600 -7.967 -16.286 1.00 0.00 C ATOM 230 CD GLU A 16 -3.596 -7.566 -17.354 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.162 -7.082 -18.420 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.813 -7.735 -17.124 1.00 0.00 O ATOM 0 H GLU A 16 -0.689 -6.594 -13.131 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.147 -8.177 -15.558 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.337 -6.185 -15.131 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.498 -6.173 -16.670 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.950 -8.751 -16.676 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.135 -8.390 -15.436 1.00 0.00 H new ATOM 239 N ALA A 17 1.153 -6.140 -16.557 1.00 0.00 N ATOM 240 CA ALA A 17 2.259 -5.243 -16.919 1.00 0.00 C ATOM 241 C ALA A 17 2.414 -4.077 -15.928 1.00 0.00 C ATOM 242 O ALA A 17 3.354 -4.061 -15.134 1.00 0.00 O ATOM 243 CB ALA A 17 2.055 -4.711 -18.329 1.00 0.00 C ATOM 0 H ALA A 17 0.811 -6.708 -17.332 1.00 0.00 H new ATOM 0 HA ALA A 17 3.179 -5.825 -16.876 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.879 -4.047 -18.590 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.024 -5.544 -19.031 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.116 -4.160 -18.378 1.00 0.00 H new ATOM 249 N GLU A 18 1.516 -3.098 -15.988 1.00 0.00 N ATOM 250 CA GLU A 18 1.604 -1.938 -15.095 1.00 0.00 C ATOM 251 C GLU A 18 0.379 -1.828 -14.188 1.00 0.00 C ATOM 252 O GLU A 18 -0.469 -0.956 -14.374 1.00 0.00 O ATOM 253 CB GLU A 18 1.761 -0.655 -15.914 1.00 0.00 C ATOM 254 CG GLU A 18 2.930 -0.694 -16.885 1.00 0.00 C ATOM 255 CD GLU A 18 2.750 0.258 -18.050 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.649 1.479 -17.810 1.00 0.00 O ATOM 257 OE2 GLU A 18 2.712 -0.218 -19.204 1.00 0.00 O ATOM 0 H GLU A 18 0.728 -3.080 -16.635 1.00 0.00 H new ATOM 0 HA GLU A 18 2.479 -2.076 -14.460 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.842 -0.475 -16.472 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.892 0.187 -15.234 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.848 -0.443 -16.353 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.049 -1.709 -17.265 1.00 0.00 H new ATOM 264 N ASP A 19 0.285 -2.741 -13.221 1.00 0.00 N ATOM 265 CA ASP A 19 -0.845 -2.779 -12.292 1.00 0.00 C ATOM 266 C ASP A 19 -0.525 -2.142 -10.939 1.00 0.00 C ATOM 267 O ASP A 19 0.541 -1.563 -10.743 1.00 0.00 O ATOM 268 CB ASP A 19 -1.248 -4.230 -12.068 1.00 0.00 C ATOM 269 CG ASP A 19 -1.943 -4.821 -13.269 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.787 -4.267 -14.378 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.646 -5.840 -13.102 1.00 0.00 O ATOM 0 H ASP A 19 0.982 -3.468 -13.060 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.654 -2.203 -12.740 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.361 -4.820 -11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.907 -4.293 -11.202 1.00 0.00 H new ATOM 276 N ARG A 20 -1.470 -2.280 -10.000 1.00 0.00 N ATOM 277 CA ARG A 20 -1.316 -1.753 -8.648 1.00 0.00 C ATOM 278 C ARG A 20 -1.924 -2.722 -7.630 1.00 0.00 C ATOM 279 O ARG A 20 -3.138 -2.928 -7.608 1.00 0.00 O ATOM 280 CB ARG A 20 -1.978 -0.382 -8.527 1.00 0.00 C ATOM 281 CG ARG A 20 -1.132 0.754 -9.078 1.00 0.00 C ATOM 282 CD ARG A 20 -0.552 1.610 -7.963 1.00 0.00 C ATOM 283 NE ARG A 20 -0.400 3.005 -8.370 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.230 4.014 -7.518 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.194 3.792 -6.211 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.099 5.252 -7.975 1.00 0.00 N ATOM 0 H ARG A 20 -2.357 -2.758 -10.160 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.252 -1.644 -8.440 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.932 -0.401 -9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.197 -0.185 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.322 0.346 -9.683 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.740 1.375 -9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.201 1.556 -7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.418 1.211 -7.666 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.426 3.219 -9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.297 2.843 -5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.063 4.570 -5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.129 5.431 -8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.031 6.025 -7.323 1.00 0.00 H new ATOM 300 N VAL A 21 -1.077 -3.306 -6.786 1.00 0.00 N ATOM 301 CA VAL A 21 -1.523 -4.245 -5.757 1.00 0.00 C ATOM 302 C VAL A 21 -1.775 -3.550 -4.418 1.00 0.00 C ATOM 303 O VAL A 21 -1.350 -2.414 -4.208 1.00 0.00 O ATOM 304 CB VAL A 21 -0.467 -5.347 -5.535 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.287 -6.197 -6.785 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.854 -4.724 -5.113 1.00 0.00 C ATOM 0 H VAL A 21 -0.070 -3.144 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.457 -4.678 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.818 -6.003 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.463 -6.965 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.234 -6.671 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.039 -5.565 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.594 -5.509 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.202 -4.046 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.715 -4.169 -4.185 1.00 0.00 H new ATOM 316 N THR A 22 -2.418 -4.266 -3.492 1.00 0.00 N ATOM 317 CA THR A 22 -2.667 -3.743 -2.152 1.00 0.00 C ATOM 318 C THR A 22 -1.963 -4.643 -1.143 1.00 0.00 C ATOM 319 O THR A 22 -2.312 -5.813 -1.005 1.00 0.00 O ATOM 320 CB THR A 22 -4.164 -3.686 -1.849 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.826 -2.812 -2.746 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.466 -3.216 -0.441 1.00 0.00 C ATOM 0 H THR A 22 -2.774 -5.209 -3.648 1.00 0.00 H new ATOM 0 HA THR A 22 -2.280 -2.726 -2.088 1.00 0.00 H new ATOM 0 HB THR A 22 -4.523 -4.709 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.783 -2.791 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.545 -3.197 -0.287 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.009 -3.898 0.276 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.061 -2.214 -0.297 1.00 0.00 H new ATOM 330 N ILE A 23 -0.946 -4.116 -0.472 1.00 0.00 N ATOM 331 CA ILE A 23 -0.186 -4.918 0.482 1.00 0.00 C ATOM 332 C ILE A 23 -0.051 -4.255 1.854 1.00 0.00 C ATOM 333 O ILE A 23 -0.096 -3.033 1.983 1.00 0.00 O ATOM 334 CB ILE A 23 1.236 -5.196 -0.044 1.00 0.00 C ATOM 335 CG1 ILE A 23 2.004 -3.883 -0.194 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.197 -5.963 -1.363 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.367 -4.048 -0.816 1.00 0.00 C ATOM 0 H ILE A 23 -0.631 -3.151 -0.567 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.751 -5.843 0.595 1.00 0.00 H new ATOM 0 HB ILE A 23 1.756 -5.822 0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.417 -3.196 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.115 -3.423 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.215 -6.144 -1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.689 -6.916 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.659 -5.377 -2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.853 -3.075 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.972 -4.709 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.263 -4.479 -1.812 1.00 0.00 H new ATOM 349 N ASP A 24 0.173 -5.092 2.862 1.00 0.00 N ATOM 350 CA ASP A 24 0.383 -4.644 4.236 1.00 0.00 C ATOM 351 C ASP A 24 1.717 -5.217 4.716 1.00 0.00 C ATOM 352 O ASP A 24 1.923 -6.429 4.655 1.00 0.00 O ATOM 353 CB ASP A 24 -0.748 -5.127 5.149 1.00 0.00 C ATOM 354 CG ASP A 24 -0.992 -6.618 5.031 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.469 -7.060 3.966 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.704 -7.344 6.005 1.00 0.00 O ATOM 0 H ASP A 24 0.214 -6.105 2.749 1.00 0.00 H new ATOM 0 HA ASP A 24 0.394 -3.555 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.505 -4.882 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.664 -4.591 4.901 1.00 0.00 H new ATOM 361 N PHE A 25 2.640 -4.364 5.159 1.00 0.00 N ATOM 362 CA PHE A 25 3.947 -4.857 5.591 1.00 0.00 C ATOM 363 C PHE A 25 4.492 -4.121 6.806 1.00 0.00 C ATOM 364 O PHE A 25 3.961 -3.096 7.224 1.00 0.00 O ATOM 365 CB PHE A 25 4.949 -4.739 4.443 1.00 0.00 C ATOM 366 CG PHE A 25 5.328 -3.322 4.106 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.168 -2.594 4.937 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.826 -2.713 2.969 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.496 -1.284 4.636 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.147 -1.405 2.670 1.00 0.00 C ATOM 371 CZ PHE A 25 5.979 -0.691 3.502 1.00 0.00 C ATOM 0 H PHE A 25 2.513 -3.354 5.228 1.00 0.00 H new ATOM 0 HA PHE A 25 3.808 -5.899 5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.851 -5.294 4.703 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.528 -5.213 3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.570 -3.055 5.827 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.176 -3.268 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.154 -0.727 5.286 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.745 -0.941 1.782 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.227 0.334 3.267 1.00 0.00 H new ATOM 381 N THR A 26 5.569 -4.668 7.360 1.00 0.00 N ATOM 382 CA THR A 26 6.222 -4.084 8.529 1.00 0.00 C ATOM 383 C THR A 26 7.717 -4.412 8.541 1.00 0.00 C ATOM 384 O THR A 26 8.102 -5.580 8.604 1.00 0.00 O ATOM 385 CB THR A 26 5.566 -4.593 9.814 1.00 0.00 C ATOM 386 OG1 THR A 26 4.170 -4.352 9.796 1.00 0.00 O ATOM 387 CG2 THR A 26 6.131 -3.953 11.064 1.00 0.00 C ATOM 0 H THR A 26 6.011 -5.520 7.016 1.00 0.00 H new ATOM 0 HA THR A 26 6.107 -3.001 8.475 1.00 0.00 H new ATOM 0 HB THR A 26 5.778 -5.662 9.845 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.770 -4.686 10.626 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.624 -4.356 11.940 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.198 -4.166 11.132 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.979 -2.875 11.021 1.00 0.00 H new ATOM 395 N GLY A 27 8.557 -3.377 8.479 1.00 0.00 N ATOM 396 CA GLY A 27 9.997 -3.593 8.484 1.00 0.00 C ATOM 397 C GLY A 27 10.788 -2.360 8.889 1.00 0.00 C ATOM 398 O GLY A 27 10.233 -1.272 9.025 1.00 0.00 O ATOM 0 H GLY A 27 8.268 -2.400 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.233 -4.408 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.314 -3.909 7.490 1.00 0.00 H new ATOM 402 N SER A 28 12.092 -2.543 9.087 1.00 0.00 N ATOM 403 CA SER A 28 12.979 -1.447 9.484 1.00 0.00 C ATOM 404 C SER A 28 13.933 -1.060 8.357 1.00 0.00 C ATOM 405 O SER A 28 14.062 -1.777 7.366 1.00 0.00 O ATOM 406 CB SER A 28 13.787 -1.846 10.722 1.00 0.00 C ATOM 407 OG SER A 28 13.960 -3.252 10.785 1.00 0.00 O ATOM 0 H SER A 28 12.561 -3.442 8.979 1.00 0.00 H new ATOM 0 HA SER A 28 12.354 -0.584 9.713 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.761 -1.357 10.698 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.278 -1.498 11.621 1.00 0.00 H new ATOM 0 HG SER A 28 14.480 -3.482 11.583 1.00 0.00 H new ATOM 413 N VAL A 29 14.612 0.075 8.532 1.00 0.00 N ATOM 414 CA VAL A 29 15.571 0.562 7.545 1.00 0.00 C ATOM 415 C VAL A 29 16.987 0.578 8.118 1.00 0.00 C ATOM 416 O VAL A 29 17.848 -0.183 7.676 1.00 0.00 O ATOM 417 CB VAL A 29 15.190 1.968 7.006 1.00 0.00 C ATOM 418 CG1 VAL A 29 14.827 2.929 8.131 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.314 2.543 6.154 1.00 0.00 C ATOM 0 H VAL A 29 14.513 0.674 9.352 1.00 0.00 H new ATOM 0 HA VAL A 29 15.542 -0.132 6.705 1.00 0.00 H new ATOM 0 HB VAL A 29 14.305 1.846 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.567 3.900 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.976 2.535 8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.678 3.041 8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.025 3.528 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.218 2.631 6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.504 1.882 5.308 1.00 0.00 H new ATOM 429 N ASP A 30 17.225 1.427 9.109 1.00 0.00 N ATOM 430 CA ASP A 30 18.532 1.508 9.741 1.00 0.00 C ATOM 431 C ASP A 30 18.552 0.648 10.998 1.00 0.00 C ATOM 432 O ASP A 30 19.166 1.008 12.003 1.00 0.00 O ATOM 433 CB ASP A 30 18.873 2.959 10.085 1.00 0.00 C ATOM 434 CG ASP A 30 20.270 3.345 9.640 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.192 2.519 9.803 1.00 0.00 O ATOM 436 OD2 ASP A 30 20.442 4.470 9.127 1.00 0.00 O ATOM 0 H ASP A 30 16.530 2.068 9.491 1.00 0.00 H new ATOM 0 HA ASP A 30 19.283 1.136 9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.148 3.622 9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 30 18.784 3.105 11.162 1.00 0.00 H new ATOM 441 N GLY A 31 17.853 -0.482 10.939 1.00 0.00 N ATOM 442 CA GLY A 31 17.779 -1.368 12.081 1.00 0.00 C ATOM 443 C GLY A 31 16.525 -1.129 12.899 1.00 0.00 C ATOM 444 O GLY A 31 16.160 -1.947 13.745 1.00 0.00 O ATOM 0 H GLY A 31 17.337 -0.798 10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.799 -2.403 11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.657 -1.223 12.711 1.00 0.00 H new ATOM 448 N GLU A 32 15.862 -0.003 12.644 1.00 0.00 N ATOM 449 CA GLU A 32 14.643 0.349 13.359 1.00 0.00 C ATOM 450 C GLU A 32 13.580 0.859 12.390 1.00 0.00 C ATOM 451 O GLU A 32 13.851 1.716 11.548 1.00 0.00 O ATOM 452 CB GLU A 32 14.941 1.404 14.423 1.00 0.00 C ATOM 453 CG GLU A 32 15.942 0.939 15.470 1.00 0.00 C ATOM 454 CD GLU A 32 16.329 2.039 16.439 1.00 0.00 C ATOM 455 OE1 GLU A 32 17.216 2.848 16.095 1.00 0.00 O ATOM 456 OE2 GLU A 32 15.748 2.088 17.543 1.00 0.00 O ATOM 0 H GLU A 32 16.152 0.681 11.945 1.00 0.00 H new ATOM 0 HA GLU A 32 14.260 -0.546 13.850 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.325 2.301 13.937 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.011 1.683 14.918 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.518 0.103 16.026 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.837 0.568 14.971 1.00 0.00 H new ATOM 463 N GLU A 33 12.370 0.324 12.519 1.00 0.00 N ATOM 464 CA GLU A 33 11.261 0.711 11.666 1.00 0.00 C ATOM 465 C GLU A 33 11.008 2.201 11.762 1.00 0.00 C ATOM 466 O GLU A 33 10.686 2.725 12.828 1.00 0.00 O ATOM 467 CB GLU A 33 10.003 -0.071 12.045 1.00 0.00 C ATOM 468 CG GLU A 33 9.618 0.056 13.510 1.00 0.00 C ATOM 469 CD GLU A 33 8.154 0.413 13.695 1.00 0.00 C ATOM 470 OE1 GLU A 33 7.592 1.091 12.811 1.00 0.00 O ATOM 471 OE2 GLU A 33 7.572 0.010 14.724 1.00 0.00 O ATOM 0 H GLU A 33 12.135 -0.385 13.214 1.00 0.00 H new ATOM 0 HA GLU A 33 11.520 0.475 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.173 0.275 11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.157 -1.124 11.810 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.827 -0.884 14.021 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.238 0.819 13.981 1.00 0.00 H new ATOM 478 N PHE A 34 11.182 2.885 10.643 1.00 0.00 N ATOM 479 CA PHE A 34 11.006 4.332 10.565 1.00 0.00 C ATOM 480 C PHE A 34 9.538 4.717 10.374 1.00 0.00 C ATOM 481 O PHE A 34 8.659 4.164 11.034 1.00 0.00 O ATOM 482 CB PHE A 34 11.910 4.889 9.441 1.00 0.00 C ATOM 483 CG PHE A 34 11.610 4.375 8.050 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.708 3.024 7.735 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.237 5.256 7.051 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.435 2.572 6.459 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.963 4.808 5.773 1.00 0.00 C ATOM 488 CZ PHE A 34 11.062 3.465 5.478 1.00 0.00 C ATOM 0 H PHE A 34 11.450 2.454 9.758 1.00 0.00 H new ATOM 0 HA PHE A 34 11.308 4.782 11.511 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.824 5.976 9.434 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.947 4.652 9.681 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.002 2.319 8.499 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.159 6.310 7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.514 1.519 6.230 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.671 5.510 5.005 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.848 3.113 4.480 1.00 0.00 H new ATOM 498 N GLU A 35 9.274 5.643 9.472 1.00 0.00 N ATOM 499 CA GLU A 35 7.903 6.075 9.190 1.00 0.00 C ATOM 500 C GLU A 35 7.124 4.985 8.457 1.00 0.00 C ATOM 501 O GLU A 35 6.022 4.616 8.861 1.00 0.00 O ATOM 502 CB GLU A 35 7.883 7.377 8.380 1.00 0.00 C ATOM 503 CG GLU A 35 8.597 7.290 7.043 1.00 0.00 C ATOM 504 CD GLU A 35 7.664 6.949 5.898 1.00 0.00 C ATOM 505 OE1 GLU A 35 6.494 7.386 5.935 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.103 6.246 4.964 1.00 0.00 O ATOM 0 H GLU A 35 9.987 6.116 8.917 1.00 0.00 H new ATOM 0 HA GLU A 35 7.418 6.262 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.847 7.668 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.342 8.168 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.086 8.242 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.381 6.535 7.104 1.00 0.00 H new ATOM 513 N GLY A 36 7.710 4.472 7.376 1.00 0.00 N ATOM 514 CA GLY A 36 7.062 3.426 6.604 1.00 0.00 C ATOM 515 C GLY A 36 7.369 2.044 7.135 1.00 0.00 C ATOM 516 O GLY A 36 7.106 1.046 6.467 1.00 0.00 O ATOM 0 H GLY A 36 8.621 4.763 7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.984 3.585 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.384 3.493 5.565 1.00 0.00 H new ATOM 520 N GLY A 37 7.925 1.980 8.342 1.00 0.00 N ATOM 521 CA GLY A 37 8.255 0.704 8.935 1.00 0.00 C ATOM 522 C GLY A 37 7.050 -0.200 9.116 1.00 0.00 C ATOM 523 O GLY A 37 7.199 -1.378 9.437 1.00 0.00 O ATOM 0 H GLY A 37 8.151 2.792 8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.990 0.198 8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.724 0.872 9.904 1.00 0.00 H new ATOM 527 N LYS A 38 5.853 0.341 8.900 1.00 0.00 N ATOM 528 CA LYS A 38 4.631 -0.441 9.029 1.00 0.00 C ATOM 529 C LYS A 38 3.543 0.107 8.110 1.00 0.00 C ATOM 530 O LYS A 38 3.158 1.271 8.202 1.00 0.00 O ATOM 531 CB LYS A 38 4.150 -0.462 10.484 1.00 0.00 C ATOM 532 CG LYS A 38 3.807 0.909 11.047 1.00 0.00 C ATOM 533 CD LYS A 38 2.511 0.874 11.844 1.00 0.00 C ATOM 534 CE LYS A 38 1.332 1.346 11.009 1.00 0.00 C ATOM 535 NZ LYS A 38 0.748 0.245 10.192 1.00 0.00 N ATOM 0 H LYS A 38 5.706 1.315 8.636 1.00 0.00 H new ATOM 0 HA LYS A 38 4.849 -1.466 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.271 -1.102 10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.924 -0.914 11.104 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.619 1.255 11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.715 1.626 10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.326 -0.141 12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.609 1.505 12.727 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.565 1.756 11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.654 2.153 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.289 0.322 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.097 0.315 9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.028 -0.672 10.594 1.00 0.00 H new ATOM 549 N ALA A 39 3.057 -0.747 7.218 1.00 0.00 N ATOM 550 CA ALA A 39 2.018 -0.364 6.272 1.00 0.00 C ATOM 551 C ALA A 39 0.925 -1.421 6.223 1.00 0.00 C ATOM 552 O ALA A 39 1.194 -2.611 6.384 1.00 0.00 O ATOM 553 CB ALA A 39 2.615 -0.155 4.884 1.00 0.00 C ATOM 0 H ALA A 39 3.368 -1.714 7.130 1.00 0.00 H new ATOM 0 HA ALA A 39 1.576 0.575 6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.826 0.131 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.366 0.634 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.080 -1.081 4.545 1.00 0.00 H new ATOM 559 N SER A 40 -0.307 -0.983 6.005 1.00 0.00 N ATOM 560 CA SER A 40 -1.436 -1.898 5.940 1.00 0.00 C ATOM 561 C SER A 40 -2.052 -1.908 4.548 1.00 0.00 C ATOM 562 O SER A 40 -2.076 -2.938 3.877 1.00 0.00 O ATOM 563 CB SER A 40 -2.493 -1.512 6.977 1.00 0.00 C ATOM 564 OG SER A 40 -2.829 -0.138 6.872 1.00 0.00 O ATOM 0 H SER A 40 -0.549 -0.001 5.870 1.00 0.00 H new ATOM 0 HA SER A 40 -1.070 -2.901 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.386 -2.120 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.119 -1.723 7.979 1.00 0.00 H new ATOM 0 HG SER A 40 -3.602 -0.035 6.279 1.00 0.00 H new ATOM 570 N ASP A 41 -2.497 -0.749 4.092 1.00 0.00 N ATOM 571 CA ASP A 41 -3.053 -0.600 2.763 1.00 0.00 C ATOM 572 C ASP A 41 -2.015 0.061 1.870 1.00 0.00 C ATOM 573 O ASP A 41 -2.169 1.221 1.487 1.00 0.00 O ATOM 574 CB ASP A 41 -4.334 0.234 2.801 1.00 0.00 C ATOM 575 CG ASP A 41 -5.350 -0.312 3.788 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.041 -0.347 4.997 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.452 -0.702 3.350 1.00 0.00 O ATOM 0 H ASP A 41 -2.482 0.114 4.635 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.309 -1.582 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.088 1.262 3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.777 0.261 1.805 1.00 0.00 H new ATOM 582 N PHE A 42 -0.967 -0.665 1.538 1.00 0.00 N ATOM 583 CA PHE A 42 0.081 -0.121 0.683 1.00 0.00 C ATOM 584 C PHE A 42 -0.233 -0.404 -0.780 1.00 0.00 C ATOM 585 O PHE A 42 -0.133 -1.543 -1.236 1.00 0.00 O ATOM 586 CB PHE A 42 1.443 -0.715 1.058 1.00 0.00 C ATOM 587 CG PHE A 42 2.613 0.043 0.488 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.626 1.428 0.508 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.694 -0.626 -0.074 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.691 2.134 -0.016 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.761 0.077 -0.601 1.00 0.00 C ATOM 592 CZ PHE A 42 4.759 1.459 -0.571 1.00 0.00 C ATOM 0 H PHE A 42 -0.814 -1.627 1.842 1.00 0.00 H new ATOM 0 HA PHE A 42 0.122 0.958 0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.532 -0.739 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.487 -1.747 0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.792 1.963 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.700 -1.706 -0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.688 3.214 0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.596 -0.453 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.592 2.010 -0.981 1.00 0.00 H new ATOM 602 N VAL A 43 -0.615 0.637 -1.514 1.00 0.00 N ATOM 603 CA VAL A 43 -0.942 0.490 -2.921 1.00 0.00 C ATOM 604 C VAL A 43 0.316 0.558 -3.772 1.00 0.00 C ATOM 605 O VAL A 43 0.798 1.640 -4.106 1.00 0.00 O ATOM 606 CB VAL A 43 -1.920 1.584 -3.382 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.346 1.354 -4.827 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.129 1.643 -2.460 1.00 0.00 C ATOM 0 H VAL A 43 -0.704 1.588 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.416 -0.484 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.408 2.545 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.038 2.139 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.468 1.373 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.838 0.385 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.810 2.423 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.643 0.682 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.802 1.867 -1.445 1.00 0.00 H new ATOM 618 N LEU A 44 0.847 -0.607 -4.112 1.00 0.00 N ATOM 619 CA LEU A 44 2.053 -0.683 -4.915 1.00 0.00 C ATOM 620 C LEU A 44 1.718 -0.721 -6.397 1.00 0.00 C ATOM 621 O LEU A 44 0.791 -1.406 -6.814 1.00 0.00 O ATOM 622 CB LEU A 44 2.859 -1.923 -4.534 1.00 0.00 C ATOM 623 CG LEU A 44 4.332 -1.668 -4.228 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.085 -2.981 -4.147 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.955 -0.759 -5.279 1.00 0.00 C ATOM 0 H LEU A 44 0.460 -1.512 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 44 2.648 0.209 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.397 -2.384 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.793 -2.645 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 44 4.400 -1.165 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.135 -2.785 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.658 -3.597 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.004 -3.506 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.005 -0.592 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.877 -1.229 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.429 0.196 -5.292 1.00 0.00 H new ATOM 637 N ALA A 45 2.492 0.013 -7.182 1.00 0.00 N ATOM 638 CA ALA A 45 2.293 0.059 -8.623 1.00 0.00 C ATOM 639 C ALA A 45 3.277 -0.870 -9.326 1.00 0.00 C ATOM 640 O ALA A 45 4.462 -0.560 -9.440 1.00 0.00 O ATOM 641 CB ALA A 45 2.457 1.480 -9.134 1.00 0.00 C ATOM 0 H ALA A 45 3.265 0.586 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 45 1.279 -0.277 -8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.305 1.498 -10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.723 2.127 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.461 1.836 -8.903 1.00 0.00 H new ATOM 647 N MET A 46 2.784 -2.014 -9.788 1.00 0.00 N ATOM 648 CA MET A 46 3.629 -2.983 -10.470 1.00 0.00 C ATOM 649 C MET A 46 4.083 -2.455 -11.826 1.00 0.00 C ATOM 650 O MET A 46 3.522 -2.806 -12.863 1.00 0.00 O ATOM 651 CB MET A 46 2.895 -4.314 -10.629 1.00 0.00 C ATOM 652 CG MET A 46 3.455 -5.411 -9.740 1.00 0.00 C ATOM 653 SD MET A 46 4.756 -6.359 -10.553 1.00 0.00 S ATOM 654 CE MET A 46 6.067 -5.142 -10.615 1.00 0.00 C ATOM 0 H MET A 46 1.806 -2.291 -9.702 1.00 0.00 H new ATOM 0 HA MET A 46 4.517 -3.147 -9.859 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.839 -4.170 -10.398 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.953 -4.632 -11.670 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.850 -4.968 -8.826 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.649 -6.083 -9.446 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.022 -5.644 -10.769 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.883 -4.451 -11.438 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.095 -4.589 -9.676 1.00 0.00 H new ATOM 664 N GLY A 47 5.109 -1.612 -11.794 1.00 0.00 N ATOM 665 CA GLY A 47 5.646 -1.036 -13.014 1.00 0.00 C ATOM 666 C GLY A 47 5.178 0.388 -13.247 1.00 0.00 C ATOM 667 O GLY A 47 4.392 0.648 -14.159 1.00 0.00 O ATOM 0 H GLY A 47 5.581 -1.316 -10.940 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.735 -1.053 -12.970 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.352 -1.654 -13.862 1.00 0.00 H new ATOM 671 N GLN A 48 5.663 1.309 -12.423 1.00 0.00 N ATOM 672 CA GLN A 48 5.296 2.716 -12.543 1.00 0.00 C ATOM 673 C GLN A 48 6.543 3.588 -12.619 1.00 0.00 C ATOM 674 O GLN A 48 6.837 4.182 -13.654 1.00 0.00 O ATOM 675 CB GLN A 48 4.429 3.138 -11.355 1.00 0.00 C ATOM 676 CG GLN A 48 3.301 4.085 -11.728 1.00 0.00 C ATOM 677 CD GLN A 48 3.619 5.529 -11.398 1.00 0.00 C ATOM 678 OE1 GLN A 48 3.890 6.337 -12.286 1.00 0.00 O ATOM 679 NE2 GLN A 48 3.588 5.862 -10.113 1.00 0.00 N ATOM 0 H GLN A 48 6.313 1.107 -11.663 1.00 0.00 H new ATOM 0 HA GLN A 48 4.724 2.848 -13.462 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.005 2.247 -10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.061 3.617 -10.607 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.095 3.997 -12.795 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.393 3.788 -11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.358 5.160 -9.410 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.794 6.820 -9.829 1.00 0.00 H new ATOM 688 N GLY A 49 7.280 3.650 -11.515 1.00 0.00 N ATOM 689 CA GLY A 49 8.495 4.440 -11.477 1.00 0.00 C ATOM 690 C GLY A 49 9.729 3.588 -11.700 1.00 0.00 C ATOM 691 O GLY A 49 10.529 3.862 -12.594 1.00 0.00 O ATOM 0 H GLY A 49 7.057 3.166 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.447 5.217 -12.240 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.571 4.944 -10.513 1.00 0.00 H new ATOM 695 N ARG A 50 9.874 2.547 -10.886 1.00 0.00 N ATOM 696 CA ARG A 50 11.009 1.636 -10.992 1.00 0.00 C ATOM 697 C ARG A 50 10.930 0.553 -9.920 1.00 0.00 C ATOM 698 O ARG A 50 11.750 0.508 -9.007 1.00 0.00 O ATOM 699 CB ARG A 50 12.331 2.399 -10.863 1.00 0.00 C ATOM 700 CG ARG A 50 12.527 3.052 -9.505 1.00 0.00 C ATOM 701 CD ARG A 50 13.744 2.496 -8.781 1.00 0.00 C ATOM 702 NE ARG A 50 14.942 2.535 -9.617 1.00 0.00 N ATOM 703 CZ ARG A 50 15.585 1.454 -10.060 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.130 0.236 -9.791 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.687 1.594 -10.783 1.00 0.00 N ATOM 0 H ARG A 50 9.216 2.313 -10.142 1.00 0.00 H new ATOM 0 HA ARG A 50 10.971 1.164 -11.974 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.157 1.712 -11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.375 3.167 -11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.640 4.129 -9.632 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.638 2.895 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.918 3.070 -7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.547 1.468 -8.477 1.00 0.00 H new ATOM 0 HE ARG A 50 15.311 3.449 -9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.280 0.119 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.631 -0.583 -10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 50 17.040 2.526 -10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.182 0.770 -11.124 1.00 0.00 H new ATOM 719 N MET A 51 9.937 -0.322 -10.038 1.00 0.00 N ATOM 720 CA MET A 51 9.763 -1.403 -9.074 1.00 0.00 C ATOM 721 C MET A 51 11.089 -2.110 -8.811 1.00 0.00 C ATOM 722 O MET A 51 11.616 -2.802 -9.681 1.00 0.00 O ATOM 723 CB MET A 51 8.728 -2.409 -9.578 1.00 0.00 C ATOM 724 CG MET A 51 8.005 -3.145 -8.464 1.00 0.00 C ATOM 725 SD MET A 51 6.396 -2.423 -8.088 1.00 0.00 S ATOM 726 CE MET A 51 6.868 -0.745 -7.677 1.00 0.00 C ATOM 0 H MET A 51 9.244 -0.305 -10.787 1.00 0.00 H new ATOM 0 HA MET A 51 9.407 -0.969 -8.140 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.995 -1.887 -10.193 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.223 -3.136 -10.221 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.873 -4.189 -8.749 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.623 -3.135 -7.566 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.974 -0.151 -7.490 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.493 -0.751 -6.784 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.425 -0.310 -8.507 1.00 0.00 H new ATOM 736 N ILE A 52 11.620 -1.935 -7.607 1.00 0.00 N ATOM 737 CA ILE A 52 12.881 -2.566 -7.237 1.00 0.00 C ATOM 738 C ILE A 52 12.709 -4.073 -7.121 1.00 0.00 C ATOM 739 O ILE A 52 11.603 -4.562 -6.893 1.00 0.00 O ATOM 740 CB ILE A 52 13.457 -2.022 -5.906 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.343 -1.577 -4.953 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.415 -0.871 -6.175 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.838 -1.222 -3.567 1.00 0.00 C ATOM 0 H ILE A 52 11.200 -1.364 -6.873 1.00 0.00 H new ATOM 0 HA ILE A 52 13.587 -2.325 -8.031 1.00 0.00 H new ATOM 0 HB ILE A 52 14.004 -2.832 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.834 -0.713 -5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.604 -2.375 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.812 -0.499 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.236 -1.220 -6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.884 -0.068 -6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.995 -0.916 -2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.321 -2.091 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.554 -0.403 -3.635 1.00 0.00 H new ATOM 755 N PRO A 53 13.803 -4.837 -7.269 1.00 0.00 N ATOM 756 CA PRO A 53 13.755 -6.295 -7.168 1.00 0.00 C ATOM 757 C PRO A 53 13.080 -6.746 -5.880 1.00 0.00 C ATOM 758 O PRO A 53 12.551 -7.849 -5.797 1.00 0.00 O ATOM 759 CB PRO A 53 15.230 -6.705 -7.172 1.00 0.00 C ATOM 760 CG PRO A 53 15.933 -5.591 -7.867 1.00 0.00 C ATOM 761 CD PRO A 53 15.168 -4.340 -7.532 1.00 0.00 C ATOM 0 HA PRO A 53 13.178 -6.747 -7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.606 -6.838 -6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.376 -7.651 -7.693 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.968 -5.516 -7.534 1.00 0.00 H new ATOM 0 HG3 PRO A 53 15.956 -5.757 -8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.586 -3.833 -6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.184 -3.626 -8.355 1.00 0.00 H new ATOM 769 N GLY A 54 13.103 -5.875 -4.877 1.00 0.00 N ATOM 770 CA GLY A 54 12.493 -6.190 -3.602 1.00 0.00 C ATOM 771 C GLY A 54 10.989 -6.345 -3.690 1.00 0.00 C ATOM 772 O GLY A 54 10.450 -7.422 -3.423 1.00 0.00 O ATOM 0 H GLY A 54 13.536 -4.953 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.926 -7.113 -3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.731 -5.403 -2.887 1.00 0.00 H new ATOM 776 N PHE A 55 10.307 -5.269 -4.068 1.00 0.00 N ATOM 777 CA PHE A 55 8.862 -5.297 -4.187 1.00 0.00 C ATOM 778 C PHE A 55 8.436 -6.152 -5.371 1.00 0.00 C ATOM 779 O PHE A 55 7.486 -6.930 -5.282 1.00 0.00 O ATOM 780 CB PHE A 55 8.303 -3.879 -4.345 1.00 0.00 C ATOM 781 CG PHE A 55 8.323 -3.050 -3.087 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.480 -3.346 -2.024 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.176 -1.964 -2.974 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.488 -2.579 -0.883 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.188 -1.193 -1.827 1.00 0.00 C ATOM 786 CZ PHE A 55 8.343 -1.500 -0.781 1.00 0.00 C ATOM 0 H PHE A 55 10.734 -4.371 -4.296 1.00 0.00 H new ATOM 0 HA PHE A 55 8.460 -5.734 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.876 -3.361 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.276 -3.946 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.809 -4.190 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.838 -1.717 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.825 -2.821 -0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.859 -0.350 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.350 -0.898 0.115 1.00 0.00 H new ATOM 796 N GLU A 56 9.148 -6.002 -6.482 1.00 0.00 N ATOM 797 CA GLU A 56 8.851 -6.758 -7.692 1.00 0.00 C ATOM 798 C GLU A 56 8.849 -8.260 -7.417 1.00 0.00 C ATOM 799 O GLU A 56 8.234 -9.033 -8.152 1.00 0.00 O ATOM 800 CB GLU A 56 9.877 -6.429 -8.778 1.00 0.00 C ATOM 801 CG GLU A 56 9.344 -6.597 -10.191 1.00 0.00 C ATOM 802 CD GLU A 56 10.423 -7.005 -11.176 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.320 -7.784 -10.785 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.373 -6.546 -12.335 1.00 0.00 O ATOM 0 H GLU A 56 9.937 -5.362 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 56 7.856 -6.473 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.216 -5.401 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.748 -7.071 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.554 -7.348 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.893 -5.661 -10.519 1.00 0.00 H new ATOM 811 N ASP A 57 9.543 -8.670 -6.357 1.00 0.00 N ATOM 812 CA ASP A 57 9.622 -10.079 -5.994 1.00 0.00 C ATOM 813 C ASP A 57 8.373 -10.534 -5.243 1.00 0.00 C ATOM 814 O ASP A 57 7.536 -11.250 -5.795 1.00 0.00 O ATOM 815 CB ASP A 57 10.865 -10.346 -5.141 1.00 0.00 C ATOM 816 CG ASP A 57 11.437 -11.732 -5.368 1.00 0.00 C ATOM 817 OD1 ASP A 57 10.897 -12.697 -4.787 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.423 -11.852 -6.125 1.00 0.00 O ATOM 0 H ASP A 57 10.058 -8.045 -5.736 1.00 0.00 H new ATOM 0 HA ASP A 57 9.692 -10.651 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.626 -9.600 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.611 -10.229 -4.087 1.00 0.00 H new ATOM 823 N GLY A 58 8.261 -10.143 -3.975 1.00 0.00 N ATOM 824 CA GLY A 58 7.120 -10.553 -3.177 1.00 0.00 C ATOM 825 C GLY A 58 5.821 -9.988 -3.698 1.00 0.00 C ATOM 826 O GLY A 58 4.868 -10.723 -3.957 1.00 0.00 O ATOM 0 H GLY A 58 8.937 -9.553 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.061 -11.641 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.266 -10.230 -2.146 1.00 0.00 H new ATOM 830 N ILE A 59 5.788 -8.673 -3.842 1.00 0.00 N ATOM 831 CA ILE A 59 4.627 -7.962 -4.323 1.00 0.00 C ATOM 832 C ILE A 59 4.537 -8.005 -5.838 1.00 0.00 C ATOM 833 O ILE A 59 4.096 -7.056 -6.486 1.00 0.00 O ATOM 834 CB ILE A 59 4.684 -6.508 -3.836 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.095 -6.465 -2.360 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.346 -5.827 -4.044 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.582 -6.570 -2.121 1.00 0.00 C ATOM 0 H ILE A 59 6.579 -8.067 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 59 3.736 -8.449 -3.927 1.00 0.00 H new ATOM 0 HB ILE A 59 5.431 -5.969 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.734 -5.534 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.597 -7.279 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.404 -4.797 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.094 -5.836 -5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.576 -6.358 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.782 -6.531 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.950 -7.513 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.089 -5.741 -2.615 1.00 0.00 H new ATOM 849 N LYS A 60 4.892 -9.161 -6.369 1.00 0.00 N ATOM 850 CA LYS A 60 4.776 -9.388 -7.798 1.00 0.00 C ATOM 851 C LYS A 60 3.345 -9.009 -8.170 1.00 0.00 C ATOM 852 O LYS A 60 3.093 -8.250 -9.102 1.00 0.00 O ATOM 853 CB LYS A 60 5.072 -10.845 -8.152 1.00 0.00 C ATOM 854 CG LYS A 60 6.449 -11.041 -8.762 1.00 0.00 C ATOM 855 CD LYS A 60 6.525 -12.320 -9.579 1.00 0.00 C ATOM 856 CE LYS A 60 7.677 -12.273 -10.569 1.00 0.00 C ATOM 857 NZ LYS A 60 7.487 -13.234 -11.689 1.00 0.00 N ATOM 0 H LYS A 60 5.260 -9.951 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 60 5.499 -8.790 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.989 -11.455 -7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.317 -11.204 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.690 -10.189 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.197 -11.070 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.650 -13.173 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.588 -12.468 -10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.771 -11.263 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.609 -12.499 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.294 -13.171 -12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.423 -14.200 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.610 -13.004 -12.199 1.00 0.00 H new ATOM 871 N GLY A 61 2.424 -9.596 -7.414 1.00 0.00 N ATOM 872 CA GLY A 61 1.007 -9.392 -7.618 1.00 0.00 C ATOM 873 C GLY A 61 0.374 -10.647 -8.157 1.00 0.00 C ATOM 874 O GLY A 61 -0.484 -10.614 -9.038 1.00 0.00 O ATOM 0 H GLY A 61 2.646 -10.226 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.533 -9.112 -6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.847 -8.568 -8.313 1.00 0.00 H new ATOM 878 N HIS A 62 0.826 -11.764 -7.610 1.00 0.00 N ATOM 879 CA HIS A 62 0.335 -13.078 -8.023 1.00 0.00 C ATOM 880 C HIS A 62 -0.191 -13.888 -6.839 1.00 0.00 C ATOM 881 O HIS A 62 -0.391 -15.096 -6.950 1.00 0.00 O ATOM 882 CB HIS A 62 1.448 -13.860 -8.727 1.00 0.00 C ATOM 883 CG HIS A 62 2.681 -14.051 -7.895 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.793 -14.729 -8.346 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.979 -13.649 -6.633 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.719 -14.739 -7.404 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.251 -14.088 -6.356 1.00 0.00 N ATOM 0 H HIS A 62 1.534 -11.792 -6.876 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.493 -12.914 -8.712 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.063 -14.838 -9.017 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.719 -13.339 -9.645 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.336 -13.089 -5.970 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.692 -15.201 -7.479 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.753 -13.935 -5.481 1.00 0.00 H new ATOM 895 N LYS A 63 -0.409 -13.226 -5.709 1.00 0.00 N ATOM 896 CA LYS A 63 -0.908 -13.910 -4.523 1.00 0.00 C ATOM 897 C LYS A 63 -1.816 -13.007 -3.693 1.00 0.00 C ATOM 898 O LYS A 63 -1.391 -12.439 -2.686 1.00 0.00 O ATOM 899 CB LYS A 63 0.260 -14.393 -3.669 1.00 0.00 C ATOM 900 CG LYS A 63 0.981 -15.597 -4.246 1.00 0.00 C ATOM 901 CD LYS A 63 0.180 -16.870 -4.033 1.00 0.00 C ATOM 902 CE LYS A 63 1.074 -18.031 -3.635 1.00 0.00 C ATOM 903 NZ LYS A 63 0.596 -19.319 -4.210 1.00 0.00 N ATOM 0 H LYS A 63 -0.250 -12.226 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.497 -14.765 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.973 -13.577 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.108 -14.644 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.152 -15.446 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.960 -15.697 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.569 -16.704 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.357 -17.120 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.092 -17.838 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.107 -18.108 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.232 -20.088 -3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.366 -19.516 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.588 -19.254 -5.248 1.00 0.00 H new ATOM 917 N ALA A 64 -3.075 -12.899 -4.103 1.00 0.00 N ATOM 918 CA ALA A 64 -4.048 -12.091 -3.383 1.00 0.00 C ATOM 919 C ALA A 64 -4.244 -12.584 -1.947 1.00 0.00 C ATOM 920 O ALA A 64 -5.034 -13.496 -1.702 1.00 0.00 O ATOM 921 CB ALA A 64 -5.375 -12.080 -4.130 1.00 0.00 C ATOM 0 H ALA A 64 -3.445 -13.363 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.661 -11.073 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.096 -11.473 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.229 -11.660 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.752 -13.099 -4.218 1.00 0.00 H new ATOM 927 N GLY A 65 -3.536 -11.973 -0.998 1.00 0.00 N ATOM 928 CA GLY A 65 -3.669 -12.367 0.399 1.00 0.00 C ATOM 929 C GLY A 65 -2.529 -13.245 0.881 1.00 0.00 C ATOM 930 O GLY A 65 -2.730 -14.140 1.702 1.00 0.00 O ATOM 0 H GLY A 65 -2.875 -11.215 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.718 -11.472 1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.611 -12.899 0.532 1.00 0.00 H new ATOM 934 N GLU A 66 -1.330 -12.984 0.375 1.00 0.00 N ATOM 935 CA GLU A 66 -0.146 -13.749 0.757 1.00 0.00 C ATOM 936 C GLU A 66 0.672 -13.007 1.807 1.00 0.00 C ATOM 937 O GLU A 66 0.566 -11.792 1.933 1.00 0.00 O ATOM 938 CB GLU A 66 0.710 -14.025 -0.477 1.00 0.00 C ATOM 939 CG GLU A 66 1.915 -14.916 -0.218 1.00 0.00 C ATOM 940 CD GLU A 66 1.529 -16.367 -0.007 1.00 0.00 C ATOM 941 OE1 GLU A 66 0.443 -16.617 0.556 1.00 0.00 O ATOM 942 OE2 GLU A 66 2.314 -17.254 -0.404 1.00 0.00 O ATOM 0 H GLU A 66 -1.150 -12.245 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.473 -14.694 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.086 -14.490 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.056 -13.075 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.603 -14.845 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.449 -14.554 0.661 1.00 0.00 H new ATOM 949 N GLU A 67 1.507 -13.744 2.536 1.00 0.00 N ATOM 950 CA GLU A 67 2.372 -13.156 3.556 1.00 0.00 C ATOM 951 C GLU A 67 3.825 -13.530 3.273 1.00 0.00 C ATOM 952 O GLU A 67 4.216 -14.687 3.418 1.00 0.00 O ATOM 953 CB GLU A 67 1.968 -13.631 4.952 1.00 0.00 C ATOM 954 CG GLU A 67 2.662 -12.873 6.072 1.00 0.00 C ATOM 955 CD GLU A 67 2.174 -13.286 7.447 1.00 0.00 C ATOM 956 OE1 GLU A 67 0.962 -13.140 7.713 1.00 0.00 O ATOM 957 OE2 GLU A 67 3.002 -13.753 8.254 1.00 0.00 O ATOM 0 H GLU A 67 1.603 -14.755 2.438 1.00 0.00 H new ATOM 0 HA GLU A 67 2.264 -12.072 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.889 -13.525 5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.196 -14.693 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.737 -13.040 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.497 -11.804 5.938 1.00 0.00 H new ATOM 964 N PHE A 68 4.610 -12.552 2.836 1.00 0.00 N ATOM 965 CA PHE A 68 6.010 -12.792 2.495 1.00 0.00 C ATOM 966 C PHE A 68 6.907 -11.662 2.993 1.00 0.00 C ATOM 967 O PHE A 68 6.430 -10.598 3.375 1.00 0.00 O ATOM 968 CB PHE A 68 6.145 -12.934 0.985 1.00 0.00 C ATOM 969 CG PHE A 68 5.494 -11.805 0.256 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.146 -10.596 0.124 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.220 -11.942 -0.267 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.543 -9.539 -0.527 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.608 -10.888 -0.915 1.00 0.00 C ATOM 974 CZ PHE A 68 4.270 -9.686 -1.046 1.00 0.00 C ATOM 0 H PHE A 68 4.303 -11.587 2.709 1.00 0.00 H new ATOM 0 HA PHE A 68 6.330 -13.712 2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.201 -12.977 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.698 -13.876 0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.138 -10.476 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.699 -12.883 -0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.064 -8.599 -0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.613 -11.005 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.795 -8.860 -1.554 1.00 0.00 H new ATOM 984 N THR A 69 8.209 -11.902 2.983 1.00 0.00 N ATOM 985 CA THR A 69 9.173 -10.904 3.431 1.00 0.00 C ATOM 986 C THR A 69 10.228 -10.655 2.362 1.00 0.00 C ATOM 987 O THR A 69 10.810 -11.599 1.831 1.00 0.00 O ATOM 988 CB THR A 69 9.844 -11.365 4.729 1.00 0.00 C ATOM 989 OG1 THR A 69 8.884 -11.855 5.652 1.00 0.00 O ATOM 990 CG2 THR A 69 10.631 -10.274 5.422 1.00 0.00 C ATOM 0 H THR A 69 8.625 -12.779 2.670 1.00 0.00 H new ATOM 0 HA THR A 69 8.640 -9.971 3.615 1.00 0.00 H new ATOM 0 HB THR A 69 10.535 -12.151 4.425 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.336 -12.145 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.079 -10.671 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.417 -9.915 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.965 -9.449 5.675 1.00 0.00 H new ATOM 998 N ILE A 70 10.479 -9.385 2.044 1.00 0.00 N ATOM 999 CA ILE A 70 11.473 -9.062 1.036 1.00 0.00 C ATOM 1000 C ILE A 70 12.306 -7.865 1.454 1.00 0.00 C ATOM 1001 O ILE A 70 11.931 -7.116 2.358 1.00 0.00 O ATOM 1002 CB ILE A 70 10.828 -8.781 -0.339 1.00 0.00 C ATOM 1003 CG1 ILE A 70 10.029 -7.468 -0.317 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.941 -9.947 -0.759 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.765 -7.526 0.511 1.00 0.00 C ATOM 0 H ILE A 70 10.014 -8.580 2.464 1.00 0.00 H new ATOM 0 HA ILE A 70 12.118 -9.935 0.943 1.00 0.00 H new ATOM 0 HB ILE A 70 11.626 -8.673 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.667 -6.674 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.768 -7.197 -1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.494 -9.733 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.541 -10.854 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.152 -10.089 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.261 -6.560 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.104 -8.296 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.018 -7.764 1.544 1.00 0.00 H new ATOM 1017 N ASP A 71 13.415 -7.664 0.765 1.00 0.00 N ATOM 1018 CA ASP A 71 14.278 -6.530 1.031 1.00 0.00 C ATOM 1019 C ASP A 71 13.909 -5.408 0.077 1.00 0.00 C ATOM 1020 O ASP A 71 13.515 -5.669 -1.056 1.00 0.00 O ATOM 1021 CB ASP A 71 15.747 -6.915 0.852 1.00 0.00 C ATOM 1022 CG ASP A 71 16.016 -7.554 -0.498 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.676 -6.934 -1.527 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.569 -8.675 -0.525 1.00 0.00 O ATOM 0 H ASP A 71 13.739 -8.274 0.015 1.00 0.00 H new ATOM 0 HA ASP A 71 14.142 -6.203 2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.369 -6.026 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.038 -7.606 1.643 1.00 0.00 H new ATOM 1029 N VAL A 72 14.050 -4.168 0.511 1.00 0.00 N ATOM 1030 CA VAL A 72 13.740 -3.038 -0.356 1.00 0.00 C ATOM 1031 C VAL A 72 14.687 -1.879 -0.092 1.00 0.00 C ATOM 1032 O VAL A 72 14.947 -1.526 1.056 1.00 0.00 O ATOM 1033 CB VAL A 72 12.287 -2.547 -0.183 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.319 -3.424 -0.964 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.907 -2.496 1.285 1.00 0.00 C ATOM 0 H VAL A 72 14.373 -3.916 1.445 1.00 0.00 H new ATOM 0 HA VAL A 72 13.863 -3.393 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 72 12.223 -1.536 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.302 -3.057 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.574 -3.394 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.386 -4.451 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.879 -2.147 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.995 -3.492 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.574 -1.812 1.810 1.00 0.00 H new ATOM 1045 N THR A 73 15.193 -1.278 -1.158 1.00 0.00 N ATOM 1046 CA THR A 73 16.101 -0.146 -1.048 1.00 0.00 C ATOM 1047 C THR A 73 15.895 0.755 -2.256 1.00 0.00 C ATOM 1048 O THR A 73 16.010 0.308 -3.397 1.00 0.00 O ATOM 1049 CB THR A 73 17.559 -0.624 -0.975 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.837 -1.190 0.293 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.574 0.476 -1.218 1.00 0.00 C ATOM 0 H THR A 73 14.988 -1.558 -2.117 1.00 0.00 H new ATOM 0 HA THR A 73 15.890 0.407 -0.133 1.00 0.00 H new ATOM 0 HB THR A 73 17.656 -1.362 -1.771 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.001 -1.303 0.791 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.581 0.064 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.421 0.899 -2.211 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.451 1.257 -0.468 1.00 0.00 H new ATOM 1059 N PHE A 74 15.569 2.014 -2.011 1.00 0.00 N ATOM 1060 CA PHE A 74 15.324 2.953 -3.091 1.00 0.00 C ATOM 1061 C PHE A 74 16.622 3.591 -3.591 1.00 0.00 C ATOM 1062 O PHE A 74 17.429 4.078 -2.799 1.00 0.00 O ATOM 1063 CB PHE A 74 14.326 4.006 -2.628 1.00 0.00 C ATOM 1064 CG PHE A 74 12.949 3.435 -2.431 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.732 2.380 -1.554 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.878 3.939 -3.141 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.466 1.844 -1.393 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.609 3.412 -2.983 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.403 2.362 -2.111 1.00 0.00 C ATOM 0 H PHE A 74 15.468 2.408 -1.075 1.00 0.00 H new ATOM 0 HA PHE A 74 14.900 2.412 -3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.672 4.446 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.282 4.811 -3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.560 1.974 -0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.033 4.756 -3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.308 1.024 -0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.780 3.822 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.414 1.946 -1.989 1.00 0.00 H new ATOM 1079 N PRO A 75 16.844 3.579 -4.919 1.00 0.00 N ATOM 1080 CA PRO A 75 18.055 4.141 -5.528 1.00 0.00 C ATOM 1081 C PRO A 75 18.118 5.664 -5.460 1.00 0.00 C ATOM 1082 O PRO A 75 17.267 6.311 -4.852 1.00 0.00 O ATOM 1083 CB PRO A 75 17.971 3.687 -6.984 1.00 0.00 C ATOM 1084 CG PRO A 75 16.523 3.450 -7.235 1.00 0.00 C ATOM 1085 CD PRO A 75 15.936 2.999 -5.927 1.00 0.00 C ATOM 0 HA PRO A 75 18.948 3.803 -5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.368 4.447 -7.657 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.553 2.780 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.036 4.359 -7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.381 2.693 -8.006 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.915 3.359 -5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.902 1.912 -5.857 1.00 0.00 H new ATOM 1093 N GLU A 76 19.148 6.220 -6.094 1.00 0.00 N ATOM 1094 CA GLU A 76 19.358 7.663 -6.119 1.00 0.00 C ATOM 1095 C GLU A 76 18.421 8.360 -7.107 1.00 0.00 C ATOM 1096 O GLU A 76 18.290 9.583 -7.084 1.00 0.00 O ATOM 1097 CB GLU A 76 20.813 7.977 -6.473 1.00 0.00 C ATOM 1098 CG GLU A 76 21.794 7.636 -5.363 1.00 0.00 C ATOM 1099 CD GLU A 76 23.045 8.491 -5.410 1.00 0.00 C ATOM 1100 OE1 GLU A 76 22.919 9.732 -5.349 1.00 0.00 O ATOM 1101 OE2 GLU A 76 24.151 7.919 -5.509 1.00 0.00 O ATOM 0 H GLU A 76 19.855 5.687 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 76 19.133 8.044 -5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.087 7.425 -7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.900 9.037 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.305 7.766 -4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.073 6.585 -5.439 1.00 0.00 H new ATOM 1108 N GLU A 77 17.777 7.586 -7.978 1.00 0.00 N ATOM 1109 CA GLU A 77 16.866 8.157 -8.964 1.00 0.00 C ATOM 1110 C GLU A 77 15.458 8.298 -8.392 1.00 0.00 C ATOM 1111 O GLU A 77 14.733 9.234 -8.732 1.00 0.00 O ATOM 1112 CB GLU A 77 16.842 7.305 -10.235 1.00 0.00 C ATOM 1113 CG GLU A 77 16.410 5.866 -10.007 1.00 0.00 C ATOM 1114 CD GLU A 77 16.406 5.055 -11.288 1.00 0.00 C ATOM 1115 OE1 GLU A 77 17.503 4.760 -11.807 1.00 0.00 O ATOM 1116 OE2 GLU A 77 15.306 4.715 -11.773 1.00 0.00 O ATOM 0 H GLU A 77 17.868 6.571 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 77 17.231 9.152 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.167 7.766 -10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.836 7.309 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.080 5.398 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.412 5.854 -9.569 1.00 0.00 H new ATOM 1123 N TYR A 78 15.079 7.377 -7.511 1.00 0.00 N ATOM 1124 CA TYR A 78 13.762 7.419 -6.885 1.00 0.00 C ATOM 1125 C TYR A 78 13.658 8.631 -5.969 1.00 0.00 C ATOM 1126 O TYR A 78 12.941 9.587 -6.262 1.00 0.00 O ATOM 1127 CB TYR A 78 13.510 6.140 -6.084 1.00 0.00 C ATOM 1128 CG TYR A 78 12.052 5.757 -5.990 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.173 6.456 -5.167 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.555 4.691 -6.723 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.841 6.099 -5.084 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.227 4.329 -6.649 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.373 5.035 -5.828 1.00 0.00 C ATOM 1134 OH TYR A 78 8.045 4.675 -5.752 1.00 0.00 O ATOM 0 H TYR A 78 15.663 6.595 -7.215 1.00 0.00 H new ATOM 0 HA TYR A 78 13.008 7.496 -7.668 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.063 5.320 -6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.908 6.268 -5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.538 7.289 -4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.221 4.133 -7.365 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.170 6.649 -4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.857 3.497 -7.231 1.00 0.00 H new ATOM 0 HH TYR A 78 7.880 3.907 -6.339 1.00 0.00 H new ATOM 1144 N HIS A 79 14.399 8.578 -4.865 1.00 0.00 N ATOM 1145 CA HIS A 79 14.435 9.657 -3.884 1.00 0.00 C ATOM 1146 C HIS A 79 13.090 10.373 -3.745 1.00 0.00 C ATOM 1147 O HIS A 79 12.985 11.570 -4.015 1.00 0.00 O ATOM 1148 CB HIS A 79 15.531 10.653 -4.250 1.00 0.00 C ATOM 1149 CG HIS A 79 16.894 10.177 -3.861 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.009 10.986 -3.869 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.316 8.961 -3.439 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.059 10.292 -3.468 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.664 9.060 -3.200 1.00 0.00 N ATOM 0 H HIS A 79 14.992 7.784 -4.626 1.00 0.00 H new ATOM 0 HA HIS A 79 14.653 9.208 -2.915 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.507 10.836 -5.324 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.329 11.606 -3.760 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.706 8.079 -3.314 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.067 10.667 -3.375 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.264 8.304 -2.869 1.00 0.00 H new ATOM 1161 N ALA A 80 12.066 9.638 -3.313 1.00 0.00 N ATOM 1162 CA ALA A 80 10.742 10.218 -3.129 1.00 0.00 C ATOM 1163 C ALA A 80 10.714 11.111 -1.893 1.00 0.00 C ATOM 1164 O ALA A 80 11.423 10.870 -0.919 1.00 0.00 O ATOM 1165 CB ALA A 80 9.685 9.131 -3.027 1.00 0.00 C ATOM 0 H ALA A 80 12.130 8.646 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 80 10.516 10.831 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.705 9.588 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.684 8.538 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.907 8.486 -2.176 1.00 0.00 H new ATOM 1171 N GLU A 81 9.906 12.156 -1.951 1.00 0.00 N ATOM 1172 CA GLU A 81 9.797 13.113 -0.856 1.00 0.00 C ATOM 1173 C GLU A 81 9.498 12.457 0.495 1.00 0.00 C ATOM 1174 O GLU A 81 9.805 13.030 1.539 1.00 0.00 O ATOM 1175 CB GLU A 81 8.706 14.140 -1.171 1.00 0.00 C ATOM 1176 CG GLU A 81 8.884 14.838 -2.511 1.00 0.00 C ATOM 1177 CD GLU A 81 7.620 15.530 -2.979 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.555 14.875 -2.993 1.00 0.00 O ATOM 1179 OE2 GLU A 81 7.693 16.726 -3.332 1.00 0.00 O ATOM 0 H GLU A 81 9.310 12.367 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 81 10.770 13.596 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.737 13.641 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.689 14.891 -0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.687 15.571 -2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.192 14.108 -3.259 1.00 0.00 H new ATOM 1186 N ASN A 82 8.867 11.284 0.488 1.00 0.00 N ATOM 1187 CA ASN A 82 8.507 10.623 1.744 1.00 0.00 C ATOM 1188 C ASN A 82 9.531 9.582 2.220 1.00 0.00 C ATOM 1189 O ASN A 82 9.766 9.460 3.422 1.00 0.00 O ATOM 1190 CB ASN A 82 7.123 9.979 1.627 1.00 0.00 C ATOM 1191 CG ASN A 82 7.023 9.006 0.473 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.395 9.293 -0.546 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.642 7.845 0.629 1.00 0.00 N ATOM 0 H ASN A 82 8.598 10.778 -0.356 1.00 0.00 H new ATOM 0 HA ASN A 82 8.497 11.407 2.501 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.890 9.458 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.373 10.760 1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.610 7.146 -0.113 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.151 7.650 1.491 1.00 0.00 H new ATOM 1200 N LEU A 83 10.122 8.817 1.304 1.00 0.00 N ATOM 1201 CA LEU A 83 11.089 7.785 1.703 1.00 0.00 C ATOM 1202 C LEU A 83 12.357 7.803 0.853 1.00 0.00 C ATOM 1203 O LEU A 83 13.105 6.831 0.826 1.00 0.00 O ATOM 1204 CB LEU A 83 10.437 6.392 1.667 1.00 0.00 C ATOM 1205 CG LEU A 83 10.332 5.697 0.292 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.193 6.685 -0.855 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.530 4.803 0.054 1.00 0.00 C ATOM 0 H LEU A 83 9.956 8.886 0.300 1.00 0.00 H new ATOM 0 HA LEU A 83 11.391 8.015 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.000 5.738 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.432 6.479 2.079 1.00 0.00 H new ATOM 0 HG LEU A 83 9.424 5.095 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.123 6.141 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.292 7.283 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.064 7.341 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.437 4.322 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.441 5.401 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.576 4.041 0.832 1.00 0.00 H new ATOM 1219 N LYS A 84 12.593 8.908 0.168 1.00 0.00 N ATOM 1220 CA LYS A 84 13.772 9.061 -0.695 1.00 0.00 C ATOM 1221 C LYS A 84 14.986 8.255 -0.211 1.00 0.00 C ATOM 1222 O LYS A 84 15.436 8.403 0.926 1.00 0.00 O ATOM 1223 CB LYS A 84 14.164 10.537 -0.809 1.00 0.00 C ATOM 1224 CG LYS A 84 14.294 11.243 0.532 1.00 0.00 C ATOM 1225 CD LYS A 84 15.112 12.519 0.406 1.00 0.00 C ATOM 1226 CE LYS A 84 15.738 12.915 1.733 1.00 0.00 C ATOM 1227 NZ LYS A 84 16.912 12.063 2.073 1.00 0.00 N ATOM 0 H LYS A 84 11.983 9.725 0.187 1.00 0.00 H new ATOM 0 HA LYS A 84 13.485 8.667 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.112 10.611 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.418 11.056 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.303 11.480 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.766 10.575 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.895 12.378 -0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.474 13.327 0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.048 13.959 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.992 12.836 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.400 12.459 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.590 11.098 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.567 12.037 1.266 1.00 0.00 H new ATOM 1241 N GLY A 85 15.519 7.419 -1.106 1.00 0.00 N ATOM 1242 CA GLY A 85 16.692 6.606 -0.803 1.00 0.00 C ATOM 1243 C GLY A 85 16.614 5.862 0.520 1.00 0.00 C ATOM 1244 O GLY A 85 17.510 5.982 1.357 1.00 0.00 O ATOM 0 H GLY A 85 15.152 7.290 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.835 5.882 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.572 7.249 -0.793 1.00 0.00 H new ATOM 1248 N LYS A 86 15.553 5.087 0.711 1.00 0.00 N ATOM 1249 CA LYS A 86 15.386 4.325 1.943 1.00 0.00 C ATOM 1250 C LYS A 86 15.802 2.863 1.784 1.00 0.00 C ATOM 1251 O LYS A 86 14.989 2.015 1.412 1.00 0.00 O ATOM 1252 CB LYS A 86 13.941 4.399 2.428 1.00 0.00 C ATOM 1253 CG LYS A 86 13.810 4.608 3.928 1.00 0.00 C ATOM 1254 CD LYS A 86 14.453 5.913 4.378 1.00 0.00 C ATOM 1255 CE LYS A 86 13.559 7.110 4.087 1.00 0.00 C ATOM 1256 NZ LYS A 86 14.325 8.247 3.507 1.00 0.00 N ATOM 0 H LYS A 86 14.800 4.970 0.033 1.00 0.00 H new ATOM 0 HA LYS A 86 16.044 4.778 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.435 5.214 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.427 3.478 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.755 4.609 4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.276 3.774 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.662 5.866 5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.409 6.041 3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.770 6.814 3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.073 7.432 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.728 9.098 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.172 8.425 4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.611 8.013 2.535 1.00 0.00 H new ATOM 1270 N ALA A 87 17.058 2.564 2.102 1.00 0.00 N ATOM 1271 CA ALA A 87 17.556 1.193 2.032 1.00 0.00 C ATOM 1272 C ALA A 87 17.085 0.434 3.267 1.00 0.00 C ATOM 1273 O ALA A 87 17.736 0.472 4.311 1.00 0.00 O ATOM 1274 CB ALA A 87 19.075 1.183 1.935 1.00 0.00 C ATOM 0 H ALA A 87 17.748 3.249 2.410 1.00 0.00 H new ATOM 0 HA ALA A 87 17.165 0.705 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.430 0.154 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.386 1.719 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.499 1.669 2.814 1.00 0.00 H new ATOM 1280 N ALA A 88 15.926 -0.212 3.161 1.00 0.00 N ATOM 1281 CA ALA A 88 15.354 -0.920 4.302 1.00 0.00 C ATOM 1282 C ALA A 88 14.989 -2.374 4.019 1.00 0.00 C ATOM 1283 O ALA A 88 15.242 -2.915 2.944 1.00 0.00 O ATOM 1284 CB ALA A 88 14.118 -0.165 4.784 1.00 0.00 C ATOM 0 H ALA A 88 15.370 -0.260 2.307 1.00 0.00 H new ATOM 0 HA ALA A 88 16.128 -0.951 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.683 -0.686 5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.401 0.845 5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.386 -0.114 3.978 1.00 0.00 H new ATOM 1290 N LYS A 89 14.359 -2.973 5.022 1.00 0.00 N ATOM 1291 CA LYS A 89 13.886 -4.348 4.969 1.00 0.00 C ATOM 1292 C LYS A 89 12.407 -4.339 5.319 1.00 0.00 C ATOM 1293 O LYS A 89 12.010 -3.641 6.249 1.00 0.00 O ATOM 1294 CB LYS A 89 14.661 -5.229 5.954 1.00 0.00 C ATOM 1295 CG LYS A 89 15.934 -5.824 5.372 1.00 0.00 C ATOM 1296 CD LYS A 89 17.120 -4.889 5.553 1.00 0.00 C ATOM 1297 CE LYS A 89 17.875 -5.189 6.839 1.00 0.00 C ATOM 1298 NZ LYS A 89 19.001 -6.137 6.618 1.00 0.00 N ATOM 0 H LYS A 89 14.160 -2.509 5.908 1.00 0.00 H new ATOM 0 HA LYS A 89 14.042 -4.760 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.916 -4.638 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.013 -6.038 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.145 -6.778 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.789 -6.029 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.795 -4.987 4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.772 -3.856 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.261 -4.260 7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.187 -5.608 7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.488 -6.314 7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.631 -7.034 6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.671 -5.727 5.937 1.00 0.00 H new ATOM 1312 N PHE A 90 11.599 -5.129 4.620 1.00 0.00 N ATOM 1313 CA PHE A 90 10.161 -5.196 4.916 1.00 0.00 C ATOM 1314 C PHE A 90 9.637 -6.622 4.889 1.00 0.00 C ATOM 1315 O PHE A 90 10.172 -7.478 4.184 1.00 0.00 O ATOM 1316 CB PHE A 90 9.325 -4.439 3.878 1.00 0.00 C ATOM 1317 CG PHE A 90 9.556 -2.965 3.759 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.309 -2.266 4.678 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.975 -2.283 2.712 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.488 -0.900 4.551 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.144 -0.916 2.576 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.903 -0.224 3.499 1.00 0.00 C ATOM 0 H PHE A 90 11.904 -5.727 3.852 1.00 0.00 H new ATOM 0 HA PHE A 90 10.063 -4.755 5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.508 -4.890 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.272 -4.599 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.764 -2.790 5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.381 -2.822 1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.085 -0.363 5.274 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.684 -0.392 1.751 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.039 0.843 3.398 1.00 0.00 H new ATOM 1332 N ALA A 91 8.536 -6.848 5.595 1.00 0.00 N ATOM 1333 CA ALA A 91 7.863 -8.134 5.596 1.00 0.00 C ATOM 1334 C ALA A 91 6.437 -7.824 5.181 1.00 0.00 C ATOM 1335 O ALA A 91 5.672 -7.222 5.934 1.00 0.00 O ATOM 1336 CB ALA A 91 7.912 -8.785 6.969 1.00 0.00 C ATOM 0 H ALA A 91 8.088 -6.144 6.181 1.00 0.00 H new ATOM 0 HA ALA A 91 8.340 -8.845 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.399 -9.746 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.951 -8.938 7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.422 -8.138 7.696 1.00 0.00 H new ATOM 1342 N ILE A 92 6.130 -8.137 3.931 1.00 0.00 N ATOM 1343 CA ILE A 92 4.845 -7.782 3.350 1.00 0.00 C ATOM 1344 C ILE A 92 3.840 -8.924 3.239 1.00 0.00 C ATOM 1345 O ILE A 92 4.184 -10.101 3.256 1.00 0.00 O ATOM 1346 CB ILE A 92 5.069 -7.205 1.936 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.180 -6.141 1.952 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.772 -6.663 1.365 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.128 -5.160 0.798 1.00 0.00 C ATOM 0 H ILE A 92 6.755 -8.637 3.299 1.00 0.00 H new ATOM 0 HA ILE A 92 4.412 -7.057 4.040 1.00 0.00 H new ATOM 0 HB ILE A 92 5.400 -8.010 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.120 -5.585 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.147 -6.644 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.953 -6.261 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.037 -7.466 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.392 -5.872 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.947 -4.447 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.221 -5.701 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.178 -4.626 0.817 1.00 0.00 H new ATOM 1361 N ASN A 93 2.582 -8.524 3.071 1.00 0.00 N ATOM 1362 CA ASN A 93 1.473 -9.444 2.889 1.00 0.00 C ATOM 1363 C ASN A 93 0.582 -8.933 1.752 1.00 0.00 C ATOM 1364 O ASN A 93 -0.156 -7.963 1.922 1.00 0.00 O ATOM 1365 CB ASN A 93 0.667 -9.579 4.184 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.505 -10.532 4.049 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.397 -11.715 4.373 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.634 -10.020 3.570 1.00 0.00 N ATOM 0 H ASN A 93 2.306 -7.542 3.058 1.00 0.00 H new ATOM 0 HA ASN A 93 1.859 -10.430 2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.324 -9.928 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.299 -8.597 4.482 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.456 -10.613 3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.678 -9.034 3.314 1.00 0.00 H new ATOM 1375 N LEU A 94 0.679 -9.568 0.585 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.097 -9.150 -0.585 1.00 0.00 C ATOM 1377 C LEU A 94 -1.595 -9.347 -0.378 1.00 0.00 C ATOM 1378 O LEU A 94 -2.015 -10.167 0.437 1.00 0.00 O ATOM 1379 CB LEU A 94 0.361 -9.924 -1.821 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.125 -9.363 -3.157 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.566 -8.045 -3.463 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.125 -10.368 -4.269 1.00 0.00 C ATOM 0 H LEU A 94 1.285 -10.372 0.423 1.00 0.00 H new ATOM 0 HA LEU A 94 0.080 -8.084 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.451 -9.950 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.019 -10.955 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.197 -9.179 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.208 -7.660 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.343 -7.326 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.643 -8.203 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.225 -9.957 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.193 -10.577 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.413 -11.291 -4.053 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.401 -8.594 -1.135 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.852 -8.694 -1.043 1.00 0.00 C ATOM 1396 C LYS A 95 -4.514 -8.395 -2.396 1.00 0.00 C ATOM 1397 O LYS A 95 -4.471 -9.218 -3.306 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.393 -7.757 0.048 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.133 -8.246 1.464 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.125 -9.324 1.868 1.00 0.00 C ATOM 1401 CE LYS A 95 -6.479 -8.729 2.219 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.439 -7.965 3.497 1.00 0.00 N ATOM 0 H LYS A 95 -2.068 -7.911 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.101 -9.719 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.941 -6.773 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.467 -7.634 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.118 -8.638 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.200 -7.408 2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.240 -10.038 1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.736 -9.876 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.806 -8.071 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.217 -9.528 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.408 -7.824 3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.890 -8.497 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.991 -7.040 3.335 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.166 -7.241 -2.510 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.870 -6.898 -3.737 1.00 0.00 C ATOM 1418 C LYS A 96 -4.922 -6.526 -4.870 1.00 0.00 C ATOM 1419 O LYS A 96 -4.399 -5.412 -4.918 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.843 -5.745 -3.482 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.049 -6.137 -2.643 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.355 -5.788 -3.340 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.558 -6.277 -2.547 1.00 0.00 C ATOM 1424 NZ LYS A 96 -11.629 -6.810 -3.434 1.00 0.00 N ATOM 0 H LYS A 96 -5.220 -6.536 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.419 -7.787 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.311 -4.936 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.189 -5.355 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.019 -7.208 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.003 -5.629 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.420 -4.708 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.368 -6.233 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.242 -7.055 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.956 -5.457 -1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.431 -7.133 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.949 -6.061 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.257 -7.609 -3.986 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.736 -7.459 -5.798 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.889 -7.245 -6.962 1.00 0.00 C ATOM 1440 C VAL A 97 -4.757 -7.191 -8.220 1.00 0.00 C ATOM 1441 O VAL A 97 -5.257 -8.218 -8.681 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.841 -8.372 -7.104 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.485 -9.741 -6.896 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.141 -8.305 -8.461 1.00 0.00 C ATOM 0 H VAL A 97 -5.168 -8.382 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.360 -6.301 -6.833 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.088 -8.227 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.728 -10.519 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.921 -9.790 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.266 -9.892 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.409 -9.110 -8.533 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.878 -8.413 -9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.636 -7.345 -8.563 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.943 -5.993 -8.762 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.764 -5.813 -9.954 1.00 0.00 C ATOM 1456 C GLU A 98 -4.965 -5.154 -11.078 1.00 0.00 C ATOM 1457 O GLU A 98 -3.743 -5.061 -10.998 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.994 -4.976 -9.607 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.849 -5.588 -8.509 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.651 -4.910 -7.167 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -6.485 -4.779 -6.736 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -8.658 -4.508 -6.549 1.00 0.00 O ATOM 0 H GLU A 98 -4.537 -5.132 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.085 -6.793 -10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.672 -3.982 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.602 -4.848 -10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.899 -5.523 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.609 -6.647 -8.415 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.652 -4.707 -12.131 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.979 -4.072 -13.266 1.00 0.00 C ATOM 1471 C GLU A 99 -5.421 -2.624 -13.450 1.00 0.00 C ATOM 1472 O GLU A 99 -6.376 -2.343 -14.171 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.237 -4.862 -14.550 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.376 -4.416 -15.722 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.186 -3.793 -16.841 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.230 -3.175 -16.545 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.777 -3.924 -18.014 1.00 0.00 O ATOM 0 H GLU A 99 -6.666 -4.772 -12.222 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.910 -4.071 -13.051 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.056 -5.920 -14.359 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.288 -4.763 -14.823 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.636 -3.696 -15.371 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.827 -5.274 -16.111 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.704 -1.711 -12.802 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.009 -0.285 -12.890 1.00 0.00 C ATOM 1486 C ARG A 100 -4.716 0.265 -14.282 1.00 0.00 C ATOM 1487 O ARG A 100 -4.042 -0.373 -15.091 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.194 0.495 -11.859 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.691 0.344 -12.041 1.00 0.00 C ATOM 1490 CD ARG A 100 -1.992 1.693 -12.146 1.00 0.00 C ATOM 1491 NE ARG A 100 -2.223 2.339 -13.436 1.00 0.00 N ATOM 1492 CZ ARG A 100 -1.293 3.020 -14.109 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -0.065 3.145 -13.621 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -1.593 3.581 -15.272 1.00 0.00 N ATOM 0 H ARG A 100 -3.905 -1.933 -12.208 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.073 -0.165 -12.687 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.456 1.551 -11.922 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.468 0.158 -10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.278 -0.214 -11.201 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.491 -0.239 -12.940 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.345 2.345 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.921 1.557 -11.997 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.153 2.265 -13.848 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.174 2.719 -12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.640 3.667 -14.142 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.535 3.492 -15.653 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.882 4.101 -15.786 1.00 0.00 H new