USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 484 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 531 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 544 MET CE :methyl -106:sc= -0.319 (180deg=-3.97!) USER MOD Single : A 530 THR OG1 : rot 180:sc= 0 USER MOD Single : A 532 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 535 MET CE :methyl 150:sc= -3.18 (180deg=-6.22!) USER MOD Single : A 536 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0159) USER MOD Single : A 545 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.41) USER MOD Single : A 549 MET CE :methyl 172:sc= -5.01 (180deg=-5.2) USER MOD Single : A 550 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 554 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 555 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 557 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 559 ASN : amide:sc= -0.536 K(o=-0.54,f=-6.1!) USER MOD Single : A 564 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.16) USER MOD Single : A 566 HIS :FLIP no HD1:sc= -4.27! C(o=-5.1!,f=-4.3!) USER MOD Single : A 567 MET CE :methyl -155:sc= -0.489 (180deg=-1.86!) USER MOD Single : A 568 LYS NZ :NH3+ 144:sc=-0.00692 (180deg=-0.454) USER MOD Single : A 569 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.6) USER MOD Single : A 574 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0694) USER MOD Single : A 575 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= -3.84 X(o=-3.8,f=-3.8!) USER MOD Single : A 578 THR OG1 : rot 79:sc= 0.902 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 527 69.471 1.480 4.973 1.00 0.00 N ATOM 108 CA PRO A 527 68.848 0.818 3.774 1.00 0.00 C ATOM 109 C PRO A 527 69.842 -0.025 2.967 1.00 0.00 C ATOM 110 O PRO A 527 69.444 -0.917 2.211 1.00 0.00 O ATOM 111 CB PRO A 527 68.325 1.989 2.945 1.00 0.00 C ATOM 112 CG PRO A 527 68.035 3.058 3.937 1.00 0.00 C ATOM 113 CD PRO A 527 69.082 2.906 5.038 1.00 0.00 C ATOM 0 HA PRO A 527 68.072 0.110 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 527 69.064 2.318 2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 527 67.429 1.711 2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 527 68.094 4.044 3.476 1.00 0.00 H new ATOM 0 HG3 PRO A 527 67.027 2.954 4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 527 69.937 3.560 4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 527 68.673 3.163 6.015 1.00 0.00 H new ATOM 121 N GLU A 528 71.137 0.249 3.137 1.00 0.00 N ATOM 122 CA GLU A 528 72.174 -0.597 2.539 1.00 0.00 C ATOM 123 C GLU A 528 72.035 -2.050 3.013 1.00 0.00 C ATOM 124 O GLU A 528 72.442 -2.978 2.312 1.00 0.00 O ATOM 125 CB GLU A 528 73.566 -0.068 2.899 1.00 0.00 C ATOM 126 CG GLU A 528 73.895 1.141 2.019 1.00 0.00 C ATOM 127 CD GLU A 528 73.274 2.402 2.609 1.00 0.00 C ATOM 128 OE1 GLU A 528 73.935 3.048 3.404 1.00 0.00 O ATOM 129 OE2 GLU A 528 72.145 2.702 2.257 1.00 0.00 O ATOM 0 H GLU A 528 71.491 1.039 3.676 1.00 0.00 H new ATOM 0 HA GLU A 528 72.048 -0.569 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 528 73.599 0.215 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 528 74.312 -0.850 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 528 74.976 1.261 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 528 73.518 0.979 1.009 1.00 0.00 H new ATOM 136 N GLU A 529 71.424 -2.241 4.187 1.00 0.00 N ATOM 137 CA GLU A 529 71.118 -3.585 4.673 1.00 0.00 C ATOM 138 C GLU A 529 70.077 -4.247 3.775 1.00 0.00 C ATOM 139 O GLU A 529 70.127 -5.454 3.537 1.00 0.00 O ATOM 140 CB GLU A 529 70.586 -3.522 6.106 1.00 0.00 C ATOM 141 CG GLU A 529 70.636 -4.918 6.730 1.00 0.00 C ATOM 142 CD GLU A 529 69.995 -4.894 8.113 1.00 0.00 C ATOM 143 OE1 GLU A 529 70.441 -4.115 8.938 1.00 0.00 O ATOM 144 OE2 GLU A 529 69.066 -5.657 8.327 1.00 0.00 O ATOM 0 H GLU A 529 71.135 -1.488 4.811 1.00 0.00 H new ATOM 0 HA GLU A 529 72.035 -4.174 4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 529 71.182 -2.826 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 529 69.563 -3.147 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 529 70.114 -5.630 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 529 71.670 -5.255 6.805 1.00 0.00 H new ATOM 151 N THR A 530 69.142 -3.445 3.257 1.00 0.00 N ATOM 152 CA THR A 530 68.137 -3.952 2.321 1.00 0.00 C ATOM 153 C THR A 530 68.811 -4.552 1.089 1.00 0.00 C ATOM 154 O THR A 530 68.488 -5.664 0.672 1.00 0.00 O ATOM 155 CB THR A 530 67.199 -2.820 1.891 1.00 0.00 C ATOM 156 OG1 THR A 530 66.765 -2.106 3.039 1.00 0.00 O ATOM 157 CG2 THR A 530 65.985 -3.406 1.164 1.00 0.00 C ATOM 0 H THR A 530 69.061 -2.450 3.468 1.00 0.00 H new ATOM 0 HA THR A 530 67.559 -4.728 2.823 1.00 0.00 H new ATOM 0 HB THR A 530 67.730 -2.144 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.166 -1.380 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.319 -2.599 0.859 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.318 -3.954 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.453 -4.083 1.832 1.00 0.00 H new ATOM 165 N TYR A 531 69.778 -3.820 0.534 1.00 0.00 N ATOM 166 CA TYR A 531 70.513 -4.289 -0.641 1.00 0.00 C ATOM 167 C TYR A 531 71.191 -5.641 -0.389 1.00 0.00 C ATOM 168 O TYR A 531 70.943 -6.602 -1.115 1.00 0.00 O ATOM 169 CB TYR A 531 71.568 -3.254 -1.045 1.00 0.00 C ATOM 170 CG TYR A 531 72.248 -3.560 -2.360 1.00 0.00 C ATOM 171 CD1 TYR A 531 71.706 -3.061 -3.570 1.00 0.00 C ATOM 172 CD2 TYR A 531 73.426 -4.345 -2.383 1.00 0.00 C ATOM 173 CE1 TYR A 531 72.344 -3.345 -4.802 1.00 0.00 C ATOM 174 CE2 TYR A 531 74.064 -4.630 -3.615 1.00 0.00 C ATOM 175 CZ TYR A 531 73.522 -4.130 -4.824 1.00 0.00 C ATOM 176 OH TYR A 531 74.145 -4.408 -6.025 1.00 0.00 O ATOM 0 H TYR A 531 70.069 -2.905 0.877 1.00 0.00 H new ATOM 0 HA TYR A 531 69.792 -4.420 -1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 531 71.096 -2.274 -1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.323 -3.193 -0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 531 70.806 -2.464 -3.553 1.00 0.00 H new ATOM 0 HD2 TYR A 531 73.838 -4.727 -1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 531 71.932 -2.963 -5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 531 74.963 -5.228 -3.632 1.00 0.00 H new ATOM 0 HH TYR A 531 74.940 -4.957 -5.862 1.00 0.00 H new ATOM 186 N GLN A 532 72.027 -5.724 0.651 1.00 0.00 N ATOM 187 CA GLN A 532 72.812 -6.941 0.889 1.00 0.00 C ATOM 188 C GLN A 532 71.904 -8.163 1.099 1.00 0.00 C ATOM 189 O GLN A 532 72.169 -9.245 0.567 1.00 0.00 O ATOM 190 CB GLN A 532 73.765 -6.750 2.085 1.00 0.00 C ATOM 191 CG GLN A 532 72.996 -6.699 3.412 1.00 0.00 C ATOM 192 CD GLN A 532 73.973 -6.554 4.573 1.00 0.00 C ATOM 193 OE1 GLN A 532 74.928 -5.782 4.490 1.00 0.00 O ATOM 194 NE2 GLN A 532 73.792 -7.257 5.658 1.00 0.00 N ATOM 0 H GLN A 532 72.177 -4.978 1.331 1.00 0.00 H new ATOM 0 HA GLN A 532 73.413 -7.128 -0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 532 74.486 -7.567 2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 532 74.333 -5.828 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 532 72.298 -5.862 3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 532 72.404 -7.606 3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 532 73.000 -7.896 5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 532 74.442 -7.167 6.438 1.00 0.00 H new ATOM 203 N ARG A 533 70.793 -7.969 1.813 1.00 0.00 N ATOM 204 CA ARG A 533 69.837 -9.057 2.031 1.00 0.00 C ATOM 205 C ARG A 533 69.320 -9.583 0.696 1.00 0.00 C ATOM 206 O ARG A 533 69.400 -10.779 0.419 1.00 0.00 O ATOM 207 CB ARG A 533 68.661 -8.564 2.876 1.00 0.00 C ATOM 208 CG ARG A 533 69.128 -8.321 4.312 1.00 0.00 C ATOM 209 CD ARG A 533 67.962 -7.784 5.146 1.00 0.00 C ATOM 210 NE ARG A 533 66.937 -8.817 5.308 1.00 0.00 N ATOM 211 CZ ARG A 533 65.965 -8.725 6.227 1.00 0.00 C ATOM 212 NH1 ARG A 533 65.881 -7.691 7.033 1.00 0.00 N ATOM 213 NH2 ARG A 533 65.081 -9.681 6.321 1.00 0.00 N ATOM 0 H ARG A 533 70.535 -7.082 2.245 1.00 0.00 H new ATOM 0 HA ARG A 533 70.346 -9.863 2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 533 68.257 -7.644 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 533 67.857 -9.300 2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 533 69.502 -9.249 4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 533 69.953 -7.609 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 533 68.322 -7.463 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 533 67.532 -6.908 4.661 1.00 0.00 H new ATOM 0 HE ARG A 533 66.963 -9.636 4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 533 66.564 -6.936 6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 533 65.133 -7.643 7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 533 65.134 -10.488 5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 533 64.337 -9.621 7.017 1.00 0.00 H new ATOM 227 N ALA A 534 68.913 -8.660 -0.175 1.00 0.00 N ATOM 228 CA ALA A 534 68.421 -9.029 -1.505 1.00 0.00 C ATOM 229 C ALA A 534 69.510 -9.733 -2.318 1.00 0.00 C ATOM 230 O ALA A 534 69.227 -10.654 -3.084 1.00 0.00 O ATOM 231 CB ALA A 534 67.962 -7.775 -2.252 1.00 0.00 C ATOM 0 H ALA A 534 68.913 -7.657 0.013 1.00 0.00 H new ATOM 0 HA ALA A 534 67.583 -9.715 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.597 -8.054 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.162 -7.291 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 534 68.800 -7.086 -2.356 1.00 0.00 H new ATOM 237 N MET A 535 70.758 -9.300 -2.128 1.00 0.00 N ATOM 238 CA MET A 535 71.891 -9.868 -2.864 1.00 0.00 C ATOM 239 C MET A 535 72.060 -11.358 -2.564 1.00 0.00 C ATOM 240 O MET A 535 72.556 -12.110 -3.405 1.00 0.00 O ATOM 241 CB MET A 535 73.180 -9.125 -2.503 1.00 0.00 C ATOM 242 CG MET A 535 73.221 -7.779 -3.234 1.00 0.00 C ATOM 243 SD MET A 535 73.916 -8.004 -4.892 1.00 0.00 S ATOM 244 CE MET A 535 72.347 -8.128 -5.784 1.00 0.00 C ATOM 0 H MET A 535 71.010 -8.560 -1.473 1.00 0.00 H new ATOM 0 HA MET A 535 71.687 -9.752 -3.928 1.00 0.00 H new ATOM 0 HB2 MET A 535 73.231 -8.967 -1.426 1.00 0.00 H new ATOM 0 HB3 MET A 535 74.047 -9.726 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 535 72.216 -7.362 -3.304 1.00 0.00 H new ATOM 0 HG3 MET A 535 73.823 -7.067 -2.670 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.474 -7.748 -6.798 1.00 0.00 H new ATOM 0 HE2 MET A 535 72.033 -9.171 -5.825 1.00 0.00 H new ATOM 0 HE3 MET A 535 71.588 -7.540 -5.268 1.00 0.00 H new ATOM 254 N LYS A 536 71.649 -11.781 -1.367 1.00 0.00 N ATOM 255 CA LYS A 536 71.708 -13.195 -1.004 1.00 0.00 C ATOM 256 C LYS A 536 70.594 -13.986 -1.695 1.00 0.00 C ATOM 257 O LYS A 536 70.717 -15.197 -1.887 1.00 0.00 O ATOM 258 CB LYS A 536 71.591 -13.353 0.513 1.00 0.00 C ATOM 259 CG LYS A 536 72.796 -12.695 1.189 1.00 0.00 C ATOM 260 CD LYS A 536 72.737 -12.949 2.697 1.00 0.00 C ATOM 261 CE LYS A 536 73.867 -12.185 3.388 1.00 0.00 C ATOM 262 NZ LYS A 536 75.158 -12.893 3.159 1.00 0.00 N ATOM 0 H LYS A 536 71.276 -11.170 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 536 72.668 -13.590 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 536 70.667 -12.895 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 536 71.545 -14.410 0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 536 73.722 -13.097 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 536 72.798 -11.623 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 536 71.773 -12.630 3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 536 72.828 -14.016 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 536 73.924 -11.168 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 536 73.667 -12.107 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 75.916 -12.412 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 75.078 -13.876 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 75.383 -12.886 2.144 1.00 0.00 H new ATOM 276 N ASP A 537 69.511 -13.299 -2.063 1.00 0.00 N ATOM 277 CA ASP A 537 68.400 -13.942 -2.757 1.00 0.00 C ATOM 278 C ASP A 537 68.752 -14.156 -4.235 1.00 0.00 C ATOM 279 O ASP A 537 69.042 -13.191 -4.944 1.00 0.00 O ATOM 280 CB ASP A 537 67.145 -13.069 -2.647 1.00 0.00 C ATOM 281 CG ASP A 537 65.876 -13.900 -2.857 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.973 -15.118 -2.891 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.820 -13.302 -2.982 1.00 0.00 O ATOM 0 H ASP A 537 69.382 -12.302 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 537 68.209 -14.910 -2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 537 67.114 -12.593 -1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.187 -12.271 -3.388 1.00 0.00 H new ATOM 288 N PRO A 538 68.723 -15.385 -4.721 1.00 0.00 N ATOM 289 CA PRO A 538 69.339 -15.720 -6.043 1.00 0.00 C ATOM 290 C PRO A 538 68.696 -14.955 -7.200 1.00 0.00 C ATOM 291 O PRO A 538 69.385 -14.559 -8.143 1.00 0.00 O ATOM 292 CB PRO A 538 69.122 -17.234 -6.206 1.00 0.00 C ATOM 293 CG PRO A 538 68.709 -17.737 -4.864 1.00 0.00 C ATOM 294 CD PRO A 538 68.054 -16.566 -4.144 1.00 0.00 C ATOM 0 HA PRO A 538 70.392 -15.439 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.355 -17.440 -6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.035 -17.725 -6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 538 68.014 -18.571 -4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 538 69.570 -18.103 -4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 538 66.978 -16.541 -4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.203 -16.624 -3.066 1.00 0.00 H new ATOM 302 N GLU A 539 67.390 -14.701 -7.103 1.00 0.00 N ATOM 303 CA GLU A 539 66.668 -14.062 -8.205 1.00 0.00 C ATOM 304 C GLU A 539 67.139 -12.624 -8.366 1.00 0.00 C ATOM 305 O GLU A 539 67.390 -12.164 -9.477 1.00 0.00 O ATOM 306 CB GLU A 539 65.155 -14.073 -7.954 1.00 0.00 C ATOM 307 CG GLU A 539 64.688 -15.496 -7.632 1.00 0.00 C ATOM 308 CD GLU A 539 63.172 -15.523 -7.471 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.699 -15.100 -6.429 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.506 -15.966 -8.393 1.00 0.00 O ATOM 0 H GLU A 539 66.818 -14.923 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 539 66.875 -14.625 -9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 539 64.910 -13.405 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 539 64.629 -13.699 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 539 64.990 -16.176 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.166 -15.846 -6.717 1.00 0.00 H new ATOM 317 N VAL A 540 67.344 -11.945 -7.240 1.00 0.00 N ATOM 318 CA VAL A 540 67.794 -10.554 -7.261 1.00 0.00 C ATOM 319 C VAL A 540 69.183 -10.460 -7.889 1.00 0.00 C ATOM 320 O VAL A 540 69.415 -9.640 -8.775 1.00 0.00 O ATOM 321 CB VAL A 540 67.834 -9.992 -5.833 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.221 -8.511 -5.859 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.457 -10.139 -5.174 1.00 0.00 C ATOM 0 H VAL A 540 67.207 -12.332 -6.306 1.00 0.00 H new ATOM 0 HA VAL A 540 67.093 -9.969 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 540 68.575 -10.550 -5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.246 -8.124 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.205 -8.400 -6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 540 67.487 -7.953 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.494 -9.738 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 540 65.715 -9.591 -5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.182 -11.193 -5.137 1.00 0.00 H new ATOM 333 N ALA A 541 70.091 -11.322 -7.442 1.00 0.00 N ATOM 334 CA ALA A 541 71.481 -11.273 -7.901 1.00 0.00 C ATOM 335 C ALA A 541 71.543 -11.374 -9.423 1.00 0.00 C ATOM 336 O ALA A 541 72.134 -10.525 -10.100 1.00 0.00 O ATOM 337 CB ALA A 541 72.269 -12.432 -7.277 1.00 0.00 C ATOM 0 H ALA A 541 69.894 -12.060 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 541 71.919 -10.324 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.303 -12.395 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.243 -12.346 -6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 541 71.822 -13.379 -7.577 1.00 0.00 H new ATOM 343 N ALA A 542 70.840 -12.365 -9.954 1.00 0.00 N ATOM 344 CA ALA A 542 70.896 -12.660 -11.387 1.00 0.00 C ATOM 345 C ALA A 542 70.356 -11.495 -12.216 1.00 0.00 C ATOM 346 O ALA A 542 70.944 -11.124 -13.233 1.00 0.00 O ATOM 347 CB ALA A 542 70.085 -13.921 -11.693 1.00 0.00 C ATOM 0 H ALA A 542 70.225 -12.979 -9.420 1.00 0.00 H new ATOM 0 HA ALA A 542 71.941 -12.818 -11.655 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.132 -14.133 -12.761 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.498 -14.763 -11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.047 -13.766 -11.399 1.00 0.00 H new ATOM 353 N ILE A 543 69.240 -10.925 -11.772 1.00 0.00 N ATOM 354 CA ILE A 543 68.562 -9.871 -12.528 1.00 0.00 C ATOM 355 C ILE A 543 69.372 -8.568 -12.514 1.00 0.00 C ATOM 356 O ILE A 543 69.461 -7.883 -13.532 1.00 0.00 O ATOM 357 CB ILE A 543 67.168 -9.643 -11.917 1.00 0.00 C ATOM 358 CG1 ILE A 543 66.377 -10.958 -11.977 1.00 0.00 C ATOM 359 CG2 ILE A 543 66.404 -8.558 -12.696 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.096 -10.824 -11.151 1.00 0.00 C ATOM 0 H ILE A 543 68.784 -11.173 -10.894 1.00 0.00 H new ATOM 0 HA ILE A 543 68.466 -10.183 -13.568 1.00 0.00 H new ATOM 0 HB ILE A 543 67.284 -9.315 -10.884 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.131 -11.200 -13.011 1.00 0.00 H new ATOM 0 HG13 ILE A 543 66.985 -11.778 -11.594 1.00 0.00 H new ATOM 0 HG21 ILE A 543 65.421 -8.412 -12.248 1.00 0.00 H new ATOM 0 HG22 ILE A 543 66.962 -7.622 -12.659 1.00 0.00 H new ATOM 0 HG23 ILE A 543 66.287 -8.870 -13.734 1.00 0.00 H new ATOM 0 HD11 ILE A 543 64.536 -11.758 -11.195 1.00 0.00 H new ATOM 0 HD12 ILE A 543 65.353 -10.603 -10.115 1.00 0.00 H new ATOM 0 HD13 ILE A 543 64.486 -10.016 -11.554 1.00 0.00 H new ATOM 372 N MET A 544 69.915 -8.206 -11.349 1.00 0.00 N ATOM 373 CA MET A 544 70.694 -6.968 -11.219 1.00 0.00 C ATOM 374 C MET A 544 71.917 -6.975 -12.141 1.00 0.00 C ATOM 375 O MET A 544 72.416 -5.914 -12.523 1.00 0.00 O ATOM 376 CB MET A 544 71.135 -6.768 -9.768 1.00 0.00 C ATOM 377 CG MET A 544 69.908 -6.468 -8.904 1.00 0.00 C ATOM 378 SD MET A 544 70.439 -5.942 -7.256 1.00 0.00 S ATOM 379 CE MET A 544 70.716 -4.199 -7.656 1.00 0.00 C ATOM 0 H MET A 544 69.832 -8.746 -10.488 1.00 0.00 H new ATOM 0 HA MET A 544 70.051 -6.140 -11.517 1.00 0.00 H new ATOM 0 HB2 MET A 544 71.641 -7.662 -9.403 1.00 0.00 H new ATOM 0 HB3 MET A 544 71.850 -5.948 -9.703 1.00 0.00 H new ATOM 0 HG2 MET A 544 69.305 -5.688 -9.369 1.00 0.00 H new ATOM 0 HG3 MET A 544 69.278 -7.355 -8.828 1.00 0.00 H new ATOM 0 HE1 MET A 544 71.787 -4.003 -7.706 1.00 0.00 H new ATOM 0 HE2 MET A 544 70.260 -3.970 -8.619 1.00 0.00 H new ATOM 0 HE3 MET A 544 70.268 -3.573 -6.884 1.00 0.00 H new ATOM 389 N GLN A 545 72.396 -8.169 -12.486 1.00 0.00 N ATOM 390 CA GLN A 545 73.393 -8.294 -13.547 1.00 0.00 C ATOM 391 C GLN A 545 72.723 -8.085 -14.904 1.00 0.00 C ATOM 392 O GLN A 545 71.500 -7.972 -14.982 1.00 0.00 O ATOM 393 CB GLN A 545 74.058 -9.673 -13.497 1.00 0.00 C ATOM 394 CG GLN A 545 74.739 -9.867 -12.139 1.00 0.00 C ATOM 395 CD GLN A 545 75.963 -8.963 -12.032 1.00 0.00 C ATOM 396 OE1 GLN A 545 76.800 -8.940 -12.933 1.00 0.00 O ATOM 397 NE2 GLN A 545 76.116 -8.212 -10.975 1.00 0.00 N ATOM 0 H GLN A 545 72.116 -9.050 -12.055 1.00 0.00 H new ATOM 0 HA GLN A 545 74.162 -7.535 -13.402 1.00 0.00 H new ATOM 0 HB2 GLN A 545 73.313 -10.453 -13.656 1.00 0.00 H new ATOM 0 HB3 GLN A 545 74.791 -9.764 -14.299 1.00 0.00 H new ATOM 0 HG2 GLN A 545 74.038 -9.639 -11.336 1.00 0.00 H new ATOM 0 HG3 GLN A 545 75.035 -10.909 -12.018 1.00 0.00 H new ATOM 0 HE21 GLN A 545 75.420 -8.233 -10.229 1.00 0.00 H new ATOM 0 HE22 GLN A 545 76.931 -7.604 -10.895 1.00 0.00 H new ATOM 406 N ASP A 546 73.525 -8.014 -15.972 1.00 0.00 N ATOM 407 CA ASP A 546 72.997 -7.768 -17.323 1.00 0.00 C ATOM 408 C ASP A 546 72.499 -6.313 -17.420 1.00 0.00 C ATOM 409 O ASP A 546 71.723 -5.866 -16.576 1.00 0.00 O ATOM 410 CB ASP A 546 71.838 -8.745 -17.626 1.00 0.00 C ATOM 411 CG ASP A 546 71.745 -9.078 -19.118 1.00 0.00 C ATOM 412 OD1 ASP A 546 72.652 -8.728 -19.855 1.00 0.00 O ATOM 413 OD2 ASP A 546 70.759 -9.684 -19.502 1.00 0.00 O ATOM 0 H ASP A 546 74.538 -8.123 -15.930 1.00 0.00 H new ATOM 0 HA ASP A 546 73.789 -7.929 -18.054 1.00 0.00 H new ATOM 0 HB2 ASP A 546 71.980 -9.664 -17.057 1.00 0.00 H new ATOM 0 HB3 ASP A 546 70.897 -8.306 -17.293 1.00 0.00 H new ATOM 418 N PRO A 547 72.922 -5.575 -18.427 1.00 0.00 N ATOM 419 CA PRO A 547 72.914 -4.077 -18.380 1.00 0.00 C ATOM 420 C PRO A 547 71.510 -3.463 -18.475 1.00 0.00 C ATOM 421 O PRO A 547 71.335 -2.269 -18.216 1.00 0.00 O ATOM 422 CB PRO A 547 73.770 -3.679 -19.579 1.00 0.00 C ATOM 423 CG PRO A 547 73.570 -4.768 -20.573 1.00 0.00 C ATOM 424 CD PRO A 547 73.294 -6.047 -19.776 1.00 0.00 C ATOM 0 HA PRO A 547 73.292 -3.709 -17.426 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.461 -2.715 -19.982 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.820 -3.586 -19.301 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.736 -4.538 -21.236 1.00 0.00 H new ATOM 0 HG3 PRO A 547 74.453 -4.886 -21.200 1.00 0.00 H new ATOM 0 HD2 PRO A 547 72.491 -6.629 -20.227 1.00 0.00 H new ATOM 0 HD3 PRO A 547 74.173 -6.690 -19.742 1.00 0.00 H new ATOM 432 N VAL A 548 70.514 -4.273 -18.859 1.00 0.00 N ATOM 433 CA VAL A 548 69.176 -3.751 -19.171 1.00 0.00 C ATOM 434 C VAL A 548 68.641 -2.898 -18.018 1.00 0.00 C ATOM 435 O VAL A 548 68.205 -1.767 -18.227 1.00 0.00 O ATOM 436 CB VAL A 548 68.210 -4.919 -19.459 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.758 -4.417 -19.578 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.617 -5.594 -20.770 1.00 0.00 C ATOM 0 H VAL A 548 70.607 -5.284 -18.961 1.00 0.00 H new ATOM 0 HA VAL A 548 69.250 -3.120 -20.057 1.00 0.00 H new ATOM 0 HB VAL A 548 68.265 -5.628 -18.633 1.00 0.00 H new ATOM 0 HG11 VAL A 548 66.097 -5.260 -19.781 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.461 -3.939 -18.644 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.688 -3.696 -20.393 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.938 -6.421 -20.980 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.568 -4.869 -21.583 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.635 -5.974 -20.683 1.00 0.00 H new ATOM 448 N MET A 549 68.748 -3.414 -16.802 1.00 0.00 N ATOM 449 CA MET A 549 68.103 -2.766 -15.667 1.00 0.00 C ATOM 450 C MET A 549 68.768 -1.435 -15.339 1.00 0.00 C ATOM 451 O MET A 549 68.099 -0.498 -14.904 1.00 0.00 O ATOM 452 CB MET A 549 68.117 -3.681 -14.442 1.00 0.00 C ATOM 453 CG MET A 549 66.855 -4.536 -14.446 1.00 0.00 C ATOM 454 SD MET A 549 66.723 -5.391 -12.867 1.00 0.00 S ATOM 455 CE MET A 549 65.004 -4.958 -12.509 1.00 0.00 C ATOM 0 H MET A 549 69.265 -4.264 -16.577 1.00 0.00 H new ATOM 0 HA MET A 549 67.067 -2.568 -15.944 1.00 0.00 H new ATOM 0 HB2 MET A 549 69.002 -4.317 -14.457 1.00 0.00 H new ATOM 0 HB3 MET A 549 68.166 -3.087 -13.529 1.00 0.00 H new ATOM 0 HG2 MET A 549 65.977 -3.911 -14.611 1.00 0.00 H new ATOM 0 HG3 MET A 549 66.891 -5.257 -15.263 1.00 0.00 H new ATOM 0 HE1 MET A 549 64.665 -5.508 -11.631 1.00 0.00 H new ATOM 0 HE2 MET A 549 64.931 -3.888 -12.317 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.378 -5.217 -13.363 1.00 0.00 H new ATOM 465 N GLN A 550 70.078 -1.338 -15.574 1.00 0.00 N ATOM 466 CA GLN A 550 70.794 -0.081 -15.346 1.00 0.00 C ATOM 467 C GLN A 550 70.211 1.035 -16.216 1.00 0.00 C ATOM 468 O GLN A 550 69.939 2.134 -15.732 1.00 0.00 O ATOM 469 CB GLN A 550 72.280 -0.259 -15.677 1.00 0.00 C ATOM 470 CG GLN A 550 73.072 0.937 -15.141 1.00 0.00 C ATOM 471 CD GLN A 550 74.518 0.858 -15.615 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.775 0.716 -16.810 1.00 0.00 O ATOM 473 NE2 GLN A 550 75.487 0.943 -14.744 1.00 0.00 N ATOM 0 H GLN A 550 70.658 -2.103 -15.917 1.00 0.00 H new ATOM 0 HA GLN A 550 70.683 0.193 -14.297 1.00 0.00 H new ATOM 0 HB2 GLN A 550 72.653 -1.183 -15.235 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.415 -0.344 -16.755 1.00 0.00 H new ATOM 0 HG2 GLN A 550 72.619 1.867 -15.484 1.00 0.00 H new ATOM 0 HG3 GLN A 550 73.038 0.948 -14.052 1.00 0.00 H new ATOM 0 HE21 GLN A 550 75.274 1.061 -13.754 1.00 0.00 H new ATOM 0 HE22 GLN A 550 76.457 0.892 -15.054 1.00 0.00 H new ATOM 482 N SER A 551 69.995 0.728 -17.496 1.00 0.00 N ATOM 483 CA SER A 551 69.435 1.705 -18.432 1.00 0.00 C ATOM 484 C SER A 551 68.031 2.148 -18.010 1.00 0.00 C ATOM 485 O SER A 551 67.716 3.337 -18.053 1.00 0.00 O ATOM 486 CB SER A 551 69.380 1.114 -19.842 1.00 0.00 C ATOM 487 OG SER A 551 70.674 0.647 -20.204 1.00 0.00 O ATOM 0 H SER A 551 70.198 -0.183 -17.907 1.00 0.00 H new ATOM 0 HA SER A 551 70.087 2.579 -18.424 1.00 0.00 H new ATOM 0 HB2 SER A 551 68.661 0.295 -19.878 1.00 0.00 H new ATOM 0 HB3 SER A 551 69.040 1.868 -20.552 1.00 0.00 H new ATOM 0 HG SER A 551 70.644 0.266 -21.106 1.00 0.00 H new ATOM 493 N ILE A 552 67.203 1.198 -17.572 1.00 0.00 N ATOM 494 CA ILE A 552 65.825 1.512 -17.177 1.00 0.00 C ATOM 495 C ILE A 552 65.814 2.485 -15.993 1.00 0.00 C ATOM 496 O ILE A 552 65.086 3.477 -16.002 1.00 0.00 O ATOM 497 CB ILE A 552 65.067 0.223 -16.805 1.00 0.00 C ATOM 498 CG1 ILE A 552 65.160 -0.780 -17.964 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.587 0.546 -16.540 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.634 -2.152 -17.524 1.00 0.00 C ATOM 0 H ILE A 552 67.457 0.214 -17.482 1.00 0.00 H new ATOM 0 HA ILE A 552 65.325 1.984 -18.023 1.00 0.00 H new ATOM 0 HB ILE A 552 65.513 -0.205 -15.908 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.583 -0.418 -18.815 1.00 0.00 H new ATOM 0 HG13 ILE A 552 66.195 -0.869 -18.295 1.00 0.00 H new ATOM 0 HG21 ILE A 552 63.056 -0.369 -16.278 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.511 1.258 -15.718 1.00 0.00 H new ATOM 0 HG23 ILE A 552 63.143 0.979 -17.436 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.706 -2.853 -18.356 1.00 0.00 H new ATOM 0 HD12 ILE A 552 65.229 -2.519 -16.688 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.593 -2.061 -17.216 1.00 0.00 H new ATOM 512 N LEU A 553 66.654 2.212 -14.995 1.00 0.00 N ATOM 513 CA LEU A 553 66.724 3.059 -13.799 1.00 0.00 C ATOM 514 C LEU A 553 67.132 4.490 -14.157 1.00 0.00 C ATOM 515 O LEU A 553 66.468 5.451 -13.762 1.00 0.00 O ATOM 516 CB LEU A 553 67.733 2.478 -12.805 1.00 0.00 C ATOM 517 CG LEU A 553 67.247 1.111 -12.315 1.00 0.00 C ATOM 518 CD1 LEU A 553 68.362 0.426 -11.524 1.00 0.00 C ATOM 519 CD2 LEU A 553 66.026 1.296 -11.409 1.00 0.00 C ATOM 0 H LEU A 553 67.293 1.417 -14.988 1.00 0.00 H new ATOM 0 HA LEU A 553 65.732 3.084 -13.347 1.00 0.00 H new ATOM 0 HB2 LEU A 553 68.709 2.379 -13.279 1.00 0.00 H new ATOM 0 HB3 LEU A 553 67.856 3.155 -11.960 1.00 0.00 H new ATOM 0 HG LEU A 553 66.976 0.496 -13.173 1.00 0.00 H new ATOM 0 HD11 LEU A 553 68.016 -0.547 -11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 553 69.234 0.293 -12.165 1.00 0.00 H new ATOM 0 HD13 LEU A 553 68.632 1.043 -10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 553 65.681 0.323 -11.061 1.00 0.00 H new ATOM 0 HD22 LEU A 553 66.299 1.912 -10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 553 65.229 1.785 -11.968 1.00 0.00 H new ATOM 531 N GLN A 554 68.202 4.625 -14.943 1.00 0.00 N ATOM 532 CA GLN A 554 68.687 5.949 -15.348 1.00 0.00 C ATOM 533 C GLN A 554 67.576 6.742 -16.038 1.00 0.00 C ATOM 534 O GLN A 554 67.235 7.846 -15.612 1.00 0.00 O ATOM 535 CB GLN A 554 69.878 5.802 -16.299 1.00 0.00 C ATOM 536 CG GLN A 554 70.575 7.155 -16.461 1.00 0.00 C ATOM 537 CD GLN A 554 71.663 7.056 -17.525 1.00 0.00 C ATOM 538 OE1 GLN A 554 72.407 6.076 -17.564 1.00 0.00 O ATOM 539 NE2 GLN A 554 71.801 8.019 -18.395 1.00 0.00 N ATOM 0 H GLN A 554 68.745 3.843 -15.309 1.00 0.00 H new ATOM 0 HA GLN A 554 69.000 6.488 -14.454 1.00 0.00 H new ATOM 0 HB2 GLN A 554 70.579 5.065 -15.909 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.539 5.437 -17.269 1.00 0.00 H new ATOM 0 HG2 GLN A 554 69.848 7.917 -16.742 1.00 0.00 H new ATOM 0 HG3 GLN A 554 71.011 7.465 -15.511 1.00 0.00 H new ATOM 0 HE21 GLN A 554 71.183 8.830 -18.360 1.00 0.00 H new ATOM 0 HE22 GLN A 554 72.527 7.961 -19.109 1.00 0.00 H new ATOM 548 N GLN A 555 66.929 6.114 -17.019 1.00 0.00 N ATOM 549 CA GLN A 555 65.865 6.772 -17.779 1.00 0.00 C ATOM 550 C GLN A 555 64.723 7.212 -16.861 1.00 0.00 C ATOM 551 O GLN A 555 64.108 8.257 -17.081 1.00 0.00 O ATOM 552 CB GLN A 555 65.325 5.819 -18.846 1.00 0.00 C ATOM 553 CG GLN A 555 66.395 5.592 -19.917 1.00 0.00 C ATOM 554 CD GLN A 555 65.822 4.758 -21.057 1.00 0.00 C ATOM 555 OE1 GLN A 555 65.141 5.290 -21.934 1.00 0.00 O ATOM 556 NE2 GLN A 555 66.058 3.475 -21.098 1.00 0.00 N ATOM 0 H GLN A 555 67.121 5.154 -17.306 1.00 0.00 H new ATOM 0 HA GLN A 555 66.286 7.658 -18.255 1.00 0.00 H new ATOM 0 HB2 GLN A 555 65.043 4.869 -18.391 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.425 6.235 -19.299 1.00 0.00 H new ATOM 0 HG2 GLN A 555 66.749 6.550 -20.298 1.00 0.00 H new ATOM 0 HG3 GLN A 555 67.256 5.085 -19.481 1.00 0.00 H new ATOM 0 HE21 GLN A 555 66.623 3.037 -20.370 1.00 0.00 H new ATOM 0 HE22 GLN A 555 65.678 2.911 -21.858 1.00 0.00 H new ATOM 565 N ALA A 556 64.446 6.408 -15.834 1.00 0.00 N ATOM 566 CA ALA A 556 63.382 6.723 -14.878 1.00 0.00 C ATOM 567 C ALA A 556 63.679 8.019 -14.127 1.00 0.00 C ATOM 568 O ALA A 556 62.764 8.789 -13.827 1.00 0.00 O ATOM 569 CB ALA A 556 63.223 5.579 -13.874 1.00 0.00 C ATOM 0 H ALA A 556 64.941 5.537 -15.642 1.00 0.00 H new ATOM 0 HA ALA A 556 62.456 6.852 -15.439 1.00 0.00 H new ATOM 0 HB1 ALA A 556 62.430 5.823 -13.167 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.967 4.662 -14.405 1.00 0.00 H new ATOM 0 HB3 ALA A 556 64.159 5.436 -13.334 1.00 0.00 H new ATOM 575 N GLN A 557 64.956 8.256 -13.826 1.00 0.00 N ATOM 576 CA GLN A 557 65.354 9.468 -13.111 1.00 0.00 C ATOM 577 C GLN A 557 65.125 10.698 -13.985 1.00 0.00 C ATOM 578 O GLN A 557 64.593 11.709 -13.527 1.00 0.00 O ATOM 579 CB GLN A 557 66.834 9.385 -12.724 1.00 0.00 C ATOM 580 CG GLN A 557 67.166 10.490 -11.719 1.00 0.00 C ATOM 581 CD GLN A 557 68.664 10.503 -11.435 1.00 0.00 C ATOM 582 OE1 GLN A 557 69.473 10.571 -12.361 1.00 0.00 O ATOM 583 NE2 GLN A 557 69.086 10.443 -10.201 1.00 0.00 N ATOM 0 H GLN A 557 65.726 7.631 -14.064 1.00 0.00 H new ATOM 0 HA GLN A 557 64.748 9.554 -12.209 1.00 0.00 H new ATOM 0 HB2 GLN A 557 67.053 8.409 -12.291 1.00 0.00 H new ATOM 0 HB3 GLN A 557 67.458 9.487 -13.612 1.00 0.00 H new ATOM 0 HG2 GLN A 557 66.854 11.457 -12.113 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.613 10.329 -10.793 1.00 0.00 H new ATOM 0 HE21 GLN A 557 68.415 10.387 -9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 557 70.087 10.452 -10.003 1.00 0.00 H new ATOM 592 N GLN A 558 65.535 10.594 -15.250 1.00 0.00 N ATOM 593 CA GLN A 558 65.330 11.678 -16.209 1.00 0.00 C ATOM 594 C GLN A 558 63.844 11.851 -16.518 1.00 0.00 C ATOM 595 O GLN A 558 63.371 12.971 -16.717 1.00 0.00 O ATOM 596 CB GLN A 558 66.091 11.384 -17.504 1.00 0.00 C ATOM 597 CG GLN A 558 67.592 11.333 -17.216 1.00 0.00 C ATOM 598 CD GLN A 558 68.366 11.134 -18.514 1.00 0.00 C ATOM 599 OE1 GLN A 558 68.561 12.084 -19.274 1.00 0.00 O ATOM 600 NE2 GLN A 558 68.820 9.948 -18.818 1.00 0.00 N ATOM 0 H GLN A 558 66.008 9.775 -15.632 1.00 0.00 H new ATOM 0 HA GLN A 558 65.707 12.601 -15.768 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.759 10.435 -17.926 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.879 12.154 -18.246 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.909 12.257 -16.732 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.810 10.519 -16.524 1.00 0.00 H new ATOM 0 HE21 GLN A 558 68.658 9.163 -18.188 1.00 0.00 H new ATOM 0 HE22 GLN A 558 69.337 9.807 -19.686 1.00 0.00 H new ATOM 609 N ASN A 559 63.117 10.735 -16.558 1.00 0.00 N ATOM 610 CA ASN A 559 61.685 10.770 -16.836 1.00 0.00 C ATOM 611 C ASN A 559 61.004 9.510 -16.290 1.00 0.00 C ATOM 612 O ASN A 559 61.376 8.397 -16.666 1.00 0.00 O ATOM 613 CB ASN A 559 61.452 10.862 -18.345 1.00 0.00 C ATOM 614 CG ASN A 559 60.045 11.378 -18.626 1.00 0.00 C ATOM 615 OD1 ASN A 559 59.062 10.722 -18.282 1.00 0.00 O ATOM 616 ND2 ASN A 559 59.888 12.520 -19.238 1.00 0.00 N ATOM 0 H ASN A 559 63.495 9.801 -16.402 1.00 0.00 H new ATOM 0 HA ASN A 559 61.257 11.645 -16.347 1.00 0.00 H new ATOM 0 HB2 ASN A 559 62.189 11.528 -18.795 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.587 9.882 -18.802 1.00 0.00 H new ATOM 0 HD21 ASN A 559 58.950 12.870 -19.432 1.00 0.00 H new ATOM 0 HD22 ASN A 559 60.704 13.063 -19.522 1.00 0.00 H new ATOM 623 N PRO A 560 59.992 9.654 -15.455 1.00 0.00 N ATOM 624 CA PRO A 560 59.401 8.486 -14.724 1.00 0.00 C ATOM 625 C PRO A 560 58.639 7.524 -15.645 1.00 0.00 C ATOM 626 O PRO A 560 58.299 6.413 -15.236 1.00 0.00 O ATOM 627 CB PRO A 560 58.455 9.131 -13.709 1.00 0.00 C ATOM 628 CG PRO A 560 58.054 10.429 -14.319 1.00 0.00 C ATOM 629 CD PRO A 560 59.235 10.894 -15.170 1.00 0.00 C ATOM 0 HA PRO A 560 60.176 7.870 -14.268 1.00 0.00 H new ATOM 0 HB2 PRO A 560 57.587 8.499 -13.523 1.00 0.00 H new ATOM 0 HB3 PRO A 560 58.950 9.283 -12.750 1.00 0.00 H new ATOM 0 HG2 PRO A 560 57.159 10.310 -14.930 1.00 0.00 H new ATOM 0 HG3 PRO A 560 57.819 11.163 -13.548 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.898 11.374 -16.089 1.00 0.00 H new ATOM 0 HD3 PRO A 560 59.848 11.620 -14.636 1.00 0.00 H new ATOM 637 N ALA A 561 58.377 7.951 -16.882 1.00 0.00 N ATOM 638 CA ALA A 561 57.606 7.135 -17.819 1.00 0.00 C ATOM 639 C ALA A 561 58.413 5.930 -18.311 1.00 0.00 C ATOM 640 O ALA A 561 57.839 4.902 -18.676 1.00 0.00 O ATOM 641 CB ALA A 561 57.187 7.985 -19.021 1.00 0.00 C ATOM 0 H ALA A 561 58.685 8.849 -17.255 1.00 0.00 H new ATOM 0 HA ALA A 561 56.725 6.766 -17.293 1.00 0.00 H new ATOM 0 HB1 ALA A 561 56.613 7.373 -19.717 1.00 0.00 H new ATOM 0 HB2 ALA A 561 56.574 8.820 -18.681 1.00 0.00 H new ATOM 0 HB3 ALA A 561 58.075 8.368 -19.523 1.00 0.00 H new ATOM 647 N ALA A 562 59.744 6.048 -18.299 1.00 0.00 N ATOM 648 CA ALA A 562 60.602 5.045 -18.934 1.00 0.00 C ATOM 649 C ALA A 562 60.434 3.672 -18.287 1.00 0.00 C ATOM 650 O ALA A 562 60.157 2.685 -18.971 1.00 0.00 O ATOM 651 CB ALA A 562 62.066 5.475 -18.837 1.00 0.00 C ATOM 0 H ALA A 562 60.246 6.820 -17.861 1.00 0.00 H new ATOM 0 HA ALA A 562 60.305 4.969 -19.980 1.00 0.00 H new ATOM 0 HB1 ALA A 562 62.698 4.724 -19.311 1.00 0.00 H new ATOM 0 HB2 ALA A 562 62.198 6.432 -19.342 1.00 0.00 H new ATOM 0 HB3 ALA A 562 62.347 5.576 -17.789 1.00 0.00 H new ATOM 657 N LEU A 563 60.565 3.610 -16.963 1.00 0.00 N ATOM 658 CA LEU A 563 60.462 2.327 -16.267 1.00 0.00 C ATOM 659 C LEU A 563 59.048 1.752 -16.374 1.00 0.00 C ATOM 660 O LEU A 563 58.869 0.535 -16.372 1.00 0.00 O ATOM 661 CB LEU A 563 60.912 2.438 -14.794 1.00 0.00 C ATOM 662 CG LEU A 563 60.273 3.633 -14.063 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.772 3.395 -13.829 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.979 3.813 -12.714 1.00 0.00 C ATOM 0 H LEU A 563 60.739 4.414 -16.360 1.00 0.00 H new ATOM 0 HA LEU A 563 61.143 1.634 -16.761 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.655 1.518 -14.270 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.997 2.533 -14.757 1.00 0.00 H new ATOM 0 HG LEU A 563 60.384 4.528 -14.676 1.00 0.00 H new ATOM 0 HD11 LEU A 563 58.344 4.253 -13.311 1.00 0.00 H new ATOM 0 HD12 LEU A 563 58.271 3.263 -14.788 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.636 2.500 -13.222 1.00 0.00 H new ATOM 0 HD21 LEU A 563 60.538 4.656 -12.182 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.862 2.908 -12.119 1.00 0.00 H new ATOM 0 HD23 LEU A 563 62.039 4.003 -12.881 1.00 0.00 H new ATOM 676 N GLN A 564 58.046 2.629 -16.495 1.00 0.00 N ATOM 677 CA GLN A 564 56.657 2.179 -16.613 1.00 0.00 C ATOM 678 C GLN A 564 56.469 1.323 -17.866 1.00 0.00 C ATOM 679 O GLN A 564 56.123 0.143 -17.771 1.00 0.00 O ATOM 680 CB GLN A 564 55.720 3.389 -16.677 1.00 0.00 C ATOM 681 CG GLN A 564 54.274 2.932 -16.467 1.00 0.00 C ATOM 682 CD GLN A 564 54.053 2.564 -15.004 1.00 0.00 C ATOM 683 OE1 GLN A 564 54.178 3.415 -14.123 1.00 0.00 O ATOM 684 NE2 GLN A 564 53.727 1.340 -14.690 1.00 0.00 N ATOM 0 H GLN A 564 58.169 3.641 -16.514 1.00 0.00 H new ATOM 0 HA GLN A 564 56.417 1.576 -15.737 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.996 4.116 -15.914 1.00 0.00 H new ATOM 0 HB3 GLN A 564 55.818 3.887 -17.642 1.00 0.00 H new ATOM 0 HG2 GLN A 564 53.587 3.726 -16.759 1.00 0.00 H new ATOM 0 HG3 GLN A 564 54.059 2.074 -17.103 1.00 0.00 H new ATOM 0 HE21 GLN A 564 53.624 0.636 -15.421 1.00 0.00 H new ATOM 0 HE22 GLN A 564 53.575 1.087 -13.714 1.00 0.00 H new ATOM 693 N GLU A 565 56.875 1.860 -19.018 1.00 0.00 N ATOM 694 CA GLU A 565 56.716 1.139 -20.284 1.00 0.00 C ATOM 695 C GLU A 565 57.532 -0.157 -20.277 1.00 0.00 C ATOM 696 O GLU A 565 57.181 -1.125 -20.954 1.00 0.00 O ATOM 697 CB GLU A 565 57.147 2.024 -21.459 1.00 0.00 C ATOM 698 CG GLU A 565 58.590 2.500 -21.268 1.00 0.00 C ATOM 699 CD GLU A 565 59.137 3.045 -22.583 1.00 0.00 C ATOM 700 OE1 GLU A 565 59.370 2.250 -23.479 1.00 0.00 O ATOM 701 OE2 GLU A 565 59.316 4.247 -22.675 1.00 0.00 O ATOM 0 H GLU A 565 57.310 2.779 -19.102 1.00 0.00 H new ATOM 0 HA GLU A 565 55.663 0.884 -20.400 1.00 0.00 H new ATOM 0 HB2 GLU A 565 57.062 1.467 -22.392 1.00 0.00 H new ATOM 0 HB3 GLU A 565 56.481 2.883 -21.538 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.628 3.273 -20.500 1.00 0.00 H new ATOM 0 HG3 GLU A 565 59.211 1.674 -20.920 1.00 0.00 H new ATOM 708 N HIS A 566 58.622 -0.161 -19.509 1.00 0.00 N ATOM 709 CA HIS A 566 59.429 -1.366 -19.332 1.00 0.00 C ATOM 710 C HIS A 566 58.649 -2.448 -18.581 1.00 0.00 C ATOM 711 O HIS A 566 58.661 -3.613 -18.977 1.00 0.00 O ATOM 712 CB HIS A 566 60.713 -1.025 -18.571 1.00 0.00 C ATOM 713 CG HIS A 566 61.819 -0.536 -19.467 1.00 0.00 C ATOM 714 ND1 HIS A 566 62.418 0.692 -19.599 1.00 0.00 N flip ATOM 715 CD2 HIS A 566 62.443 -1.362 -20.390 1.00 0.00 C flip ATOM 716 CE1 HIS A 566 63.394 0.634 -20.589 1.00 0.00 C flip ATOM 717 NE2 HIS A 566 63.368 -0.626 -21.032 1.00 0.00 N flip ATOM 0 H HIS A 566 58.965 0.655 -19.001 1.00 0.00 H new ATOM 0 HA HIS A 566 59.683 -1.754 -20.318 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.494 -0.261 -17.825 1.00 0.00 H new ATOM 0 HB3 HIS A 566 61.054 -1.909 -18.032 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.226 -2.406 -20.562 1.00 0.00 H new ATOM 0 HE1 HIS A 566 64.035 1.435 -20.927 1.00 0.00 H new ATOM 0 HE2 HIS A 566 63.976 -0.986 -21.768 1.00 0.00 H new ATOM 725 N MET A 567 57.942 -2.053 -17.519 1.00 0.00 N ATOM 726 CA MET A 567 57.166 -3.003 -16.717 1.00 0.00 C ATOM 727 C MET A 567 56.053 -3.650 -17.551 1.00 0.00 C ATOM 728 O MET A 567 55.639 -4.776 -17.274 1.00 0.00 O ATOM 729 CB MET A 567 56.552 -2.279 -15.512 1.00 0.00 C ATOM 730 CG MET A 567 55.967 -3.300 -14.533 1.00 0.00 C ATOM 731 SD MET A 567 55.290 -2.435 -13.093 1.00 0.00 S ATOM 732 CE MET A 567 56.847 -1.731 -12.498 1.00 0.00 C ATOM 0 H MET A 567 57.891 -1.087 -17.196 1.00 0.00 H new ATOM 0 HA MET A 567 57.838 -3.790 -16.373 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.311 -1.677 -15.013 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.772 -1.595 -15.846 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.186 -3.882 -15.022 1.00 0.00 H new ATOM 0 HG3 MET A 567 56.739 -4.003 -14.219 1.00 0.00 H new ATOM 0 HE1 MET A 567 56.774 -1.540 -11.427 1.00 0.00 H new ATOM 0 HE2 MET A 567 57.659 -2.433 -12.687 1.00 0.00 H new ATOM 0 HE3 MET A 567 57.046 -0.795 -13.020 1.00 0.00 H new ATOM 742 N LYS A 568 55.581 -2.935 -18.575 1.00 0.00 N ATOM 743 CA LYS A 568 54.569 -3.486 -19.478 1.00 0.00 C ATOM 744 C LYS A 568 55.160 -4.638 -20.294 1.00 0.00 C ATOM 745 O LYS A 568 54.484 -5.630 -20.566 1.00 0.00 O ATOM 746 CB LYS A 568 54.053 -2.396 -20.420 1.00 0.00 C ATOM 747 CG LYS A 568 53.334 -1.317 -19.609 1.00 0.00 C ATOM 748 CD LYS A 568 52.882 -0.188 -20.541 1.00 0.00 C ATOM 749 CE LYS A 568 51.721 -0.667 -21.420 1.00 0.00 C ATOM 750 NZ LYS A 568 52.234 -1.006 -22.779 1.00 0.00 N ATOM 0 H LYS A 568 55.879 -1.985 -18.798 1.00 0.00 H new ATOM 0 HA LYS A 568 53.738 -3.863 -18.881 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.883 -1.957 -20.974 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.373 -2.828 -21.154 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.473 -1.746 -19.097 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.998 -0.923 -18.840 1.00 0.00 H new ATOM 0 HD2 LYS A 568 52.572 0.677 -19.954 1.00 0.00 H new ATOM 0 HD3 LYS A 568 53.714 0.133 -21.167 1.00 0.00 H new ATOM 0 HE2 LYS A 568 51.246 -1.539 -20.971 1.00 0.00 H new ATOM 0 HE3 LYS A 568 50.959 0.110 -21.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 51.714 -1.826 -23.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 52.099 -0.193 -23.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 53.247 -1.235 -22.721 1.00 0.00 H new ATOM 764 N ASN A 569 56.428 -4.489 -20.681 1.00 0.00 N ATOM 765 CA ASN A 569 57.154 -5.556 -21.378 1.00 0.00 C ATOM 766 C ASN A 569 57.295 -6.794 -20.476 1.00 0.00 C ATOM 767 O ASN A 569 57.588 -6.660 -19.287 1.00 0.00 O ATOM 768 CB ASN A 569 58.545 -5.048 -21.781 1.00 0.00 C ATOM 769 CG ASN A 569 59.019 -5.741 -23.054 1.00 0.00 C ATOM 770 OD1 ASN A 569 59.932 -6.565 -23.010 1.00 0.00 O ATOM 771 ND2 ASN A 569 58.448 -5.455 -24.192 1.00 0.00 N ATOM 0 H ASN A 569 56.974 -3.642 -20.525 1.00 0.00 H new ATOM 0 HA ASN A 569 56.593 -5.839 -22.269 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.514 -3.970 -21.937 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.254 -5.233 -20.974 1.00 0.00 H new ATOM 0 HD21 ASN A 569 58.758 -5.915 -25.048 1.00 0.00 H new ATOM 0 HD22 ASN A 569 57.691 -4.772 -24.225 1.00 0.00 H new ATOM 778 N PRO A 570 57.107 -7.987 -21.013 1.00 0.00 N ATOM 779 CA PRO A 570 56.994 -9.220 -20.170 1.00 0.00 C ATOM 780 C PRO A 570 58.330 -9.636 -19.548 1.00 0.00 C ATOM 781 O PRO A 570 58.396 -9.943 -18.356 1.00 0.00 O ATOM 782 CB PRO A 570 56.486 -10.287 -21.142 1.00 0.00 C ATOM 783 CG PRO A 570 56.947 -9.845 -22.488 1.00 0.00 C ATOM 784 CD PRO A 570 57.007 -8.318 -22.451 1.00 0.00 C ATOM 0 HA PRO A 570 56.332 -9.063 -19.319 1.00 0.00 H new ATOM 0 HB2 PRO A 570 56.887 -11.269 -20.892 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.400 -10.367 -21.105 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.926 -10.265 -22.719 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.262 -10.187 -23.264 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.866 -7.941 -23.006 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.118 -7.875 -22.900 1.00 0.00 H new ATOM 792 N GLU A 571 59.397 -9.616 -20.347 1.00 0.00 N ATOM 793 CA GLU A 571 60.711 -10.037 -19.859 1.00 0.00 C ATOM 794 C GLU A 571 61.213 -9.062 -18.797 1.00 0.00 C ATOM 795 O GLU A 571 61.736 -9.472 -17.753 1.00 0.00 O ATOM 796 CB GLU A 571 61.710 -10.105 -21.019 1.00 0.00 C ATOM 797 CG GLU A 571 62.991 -10.806 -20.557 1.00 0.00 C ATOM 798 CD GLU A 571 64.041 -10.759 -21.663 1.00 0.00 C ATOM 799 OE1 GLU A 571 64.177 -9.717 -22.282 1.00 0.00 O ATOM 800 OE2 GLU A 571 64.694 -11.769 -21.874 1.00 0.00 O ATOM 0 H GLU A 571 59.379 -9.317 -21.322 1.00 0.00 H new ATOM 0 HA GLU A 571 60.618 -11.028 -19.415 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.271 -10.645 -21.858 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.941 -9.100 -21.372 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.376 -10.323 -19.659 1.00 0.00 H new ATOM 0 HG3 GLU A 571 62.774 -11.841 -20.294 1.00 0.00 H new ATOM 807 N VAL A 572 60.958 -7.777 -19.017 1.00 0.00 N ATOM 808 CA VAL A 572 61.345 -6.768 -18.045 1.00 0.00 C ATOM 809 C VAL A 572 60.408 -6.836 -16.838 1.00 0.00 C ATOM 810 O VAL A 572 60.841 -6.651 -15.709 1.00 0.00 O ATOM 811 CB VAL A 572 61.314 -5.369 -18.676 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.773 -4.320 -17.653 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.257 -5.337 -19.883 1.00 0.00 C ATOM 0 H VAL A 572 60.491 -7.415 -19.849 1.00 0.00 H new ATOM 0 HA VAL A 572 62.365 -6.964 -17.715 1.00 0.00 H new ATOM 0 HB VAL A 572 60.295 -5.143 -18.991 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.748 -3.331 -18.110 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.108 -4.338 -16.790 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.790 -4.545 -17.332 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.238 -4.345 -20.334 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.272 -5.568 -19.558 1.00 0.00 H new ATOM 0 HG23 VAL A 572 61.934 -6.075 -20.617 1.00 0.00 H new ATOM 823 N PHE A 573 59.140 -7.189 -17.077 1.00 0.00 N ATOM 824 CA PHE A 573 58.155 -7.282 -15.991 1.00 0.00 C ATOM 825 C PHE A 573 58.664 -8.193 -14.869 1.00 0.00 C ATOM 826 O PHE A 573 58.633 -7.817 -13.697 1.00 0.00 O ATOM 827 CB PHE A 573 56.830 -7.828 -16.543 1.00 0.00 C ATOM 828 CG PHE A 573 55.733 -7.962 -15.509 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.130 -6.807 -14.956 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.303 -9.249 -15.100 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.099 -6.936 -13.996 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.272 -9.379 -14.138 1.00 0.00 C ATOM 833 CZ PHE A 573 53.670 -8.222 -13.586 1.00 0.00 C ATOM 0 H PHE A 573 58.773 -7.413 -18.002 1.00 0.00 H new ATOM 0 HA PHE A 573 57.998 -6.285 -15.579 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.483 -7.170 -17.340 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.012 -8.805 -16.992 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.457 -5.826 -15.267 1.00 0.00 H new ATOM 0 HD2 PHE A 573 55.762 -10.131 -15.522 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.639 -6.054 -13.576 1.00 0.00 H new ATOM 0 HE2 PHE A 573 53.945 -10.360 -13.825 1.00 0.00 H new ATOM 0 HZ PHE A 573 52.884 -8.320 -12.852 1.00 0.00 H new ATOM 843 N LYS A 574 59.195 -9.356 -15.245 1.00 0.00 N ATOM 844 CA LYS A 574 59.788 -10.273 -14.268 1.00 0.00 C ATOM 845 C LYS A 574 60.953 -9.610 -13.528 1.00 0.00 C ATOM 846 O LYS A 574 61.013 -9.628 -12.297 1.00 0.00 O ATOM 847 CB LYS A 574 60.293 -11.533 -14.977 1.00 0.00 C ATOM 848 CG LYS A 574 59.115 -12.262 -15.626 1.00 0.00 C ATOM 849 CD LYS A 574 59.605 -13.572 -16.246 1.00 0.00 C ATOM 850 CE LYS A 574 58.468 -14.219 -17.038 1.00 0.00 C ATOM 851 NZ LYS A 574 58.312 -13.521 -18.345 1.00 0.00 N ATOM 0 H LYS A 574 59.228 -9.685 -16.210 1.00 0.00 H new ATOM 0 HA LYS A 574 59.019 -10.538 -13.543 1.00 0.00 H new ATOM 0 HB2 LYS A 574 61.030 -11.266 -15.734 1.00 0.00 H new ATOM 0 HB3 LYS A 574 60.792 -12.189 -14.264 1.00 0.00 H new ATOM 0 HG2 LYS A 574 58.345 -12.465 -14.882 1.00 0.00 H new ATOM 0 HG3 LYS A 574 58.661 -11.632 -16.391 1.00 0.00 H new ATOM 0 HD2 LYS A 574 60.455 -13.381 -16.901 1.00 0.00 H new ATOM 0 HD3 LYS A 574 59.950 -14.250 -15.465 1.00 0.00 H new ATOM 0 HE2 LYS A 574 58.680 -15.276 -17.201 1.00 0.00 H new ATOM 0 HE3 LYS A 574 57.539 -14.164 -16.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 57.674 -14.069 -18.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 57.912 -12.574 -18.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 59.241 -13.432 -18.804 1.00 0.00 H new ATOM 865 N LYS A 575 61.843 -8.968 -14.287 1.00 0.00 N ATOM 866 CA LYS A 575 63.062 -8.392 -13.711 1.00 0.00 C ATOM 867 C LYS A 575 62.740 -7.256 -12.736 1.00 0.00 C ATOM 868 O LYS A 575 63.149 -7.281 -11.570 1.00 0.00 O ATOM 869 CB LYS A 575 63.954 -7.853 -14.830 1.00 0.00 C ATOM 870 CG LYS A 575 64.515 -9.020 -15.648 1.00 0.00 C ATOM 871 CD LYS A 575 65.595 -8.502 -16.600 1.00 0.00 C ATOM 872 CE LYS A 575 66.212 -9.681 -17.356 1.00 0.00 C ATOM 873 NZ LYS A 575 67.087 -9.166 -18.448 1.00 0.00 N ATOM 0 H LYS A 575 61.745 -8.834 -15.293 1.00 0.00 H new ATOM 0 HA LYS A 575 63.577 -9.181 -13.163 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.382 -7.186 -15.475 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.770 -7.267 -14.408 1.00 0.00 H new ATOM 0 HG2 LYS A 575 64.933 -9.776 -14.984 1.00 0.00 H new ATOM 0 HG3 LYS A 575 63.716 -9.499 -16.214 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.164 -7.790 -17.304 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.365 -7.971 -16.040 1.00 0.00 H new ATOM 0 HE2 LYS A 575 66.792 -10.302 -16.673 1.00 0.00 H new ATOM 0 HE3 LYS A 575 65.426 -10.312 -17.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 67.507 -9.966 -18.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 66.521 -8.591 -19.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 67.844 -8.581 -18.040 1.00 0.00 H new ATOM 887 N ILE A 576 61.974 -6.279 -13.215 1.00 0.00 N ATOM 888 CA ILE A 576 61.641 -5.095 -12.416 1.00 0.00 C ATOM 889 C ILE A 576 60.952 -5.509 -11.106 1.00 0.00 C ATOM 890 O ILE A 576 61.345 -5.069 -10.024 1.00 0.00 O ATOM 891 CB ILE A 576 60.727 -4.145 -13.219 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.355 -3.804 -14.593 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.488 -2.850 -12.426 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.654 -3.000 -14.444 1.00 0.00 C ATOM 0 H ILE A 576 61.571 -6.281 -14.152 1.00 0.00 H new ATOM 0 HA ILE A 576 62.566 -4.571 -12.174 1.00 0.00 H new ATOM 0 HB ILE A 576 59.776 -4.650 -13.387 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.559 -4.726 -15.138 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.641 -3.234 -15.187 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.842 -2.186 -13.000 1.00 0.00 H new ATOM 0 HG22 ILE A 576 60.010 -3.088 -11.476 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.442 -2.357 -12.239 1.00 0.00 H new ATOM 0 HD11 ILE A 576 63.062 -2.782 -15.431 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.446 -2.066 -13.923 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.378 -3.581 -13.873 1.00 0.00 H new ATOM 906 N GLN A 577 59.969 -6.405 -11.205 1.00 0.00 N ATOM 907 CA GLN A 577 59.208 -6.838 -10.027 1.00 0.00 C ATOM 908 C GLN A 577 60.113 -7.449 -8.954 1.00 0.00 C ATOM 909 O GLN A 577 59.950 -7.166 -7.769 1.00 0.00 O ATOM 910 CB GLN A 577 58.149 -7.864 -10.436 1.00 0.00 C ATOM 911 CG GLN A 577 56.996 -7.153 -11.147 1.00 0.00 C ATOM 912 CD GLN A 577 55.834 -8.119 -11.344 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.005 -9.184 -11.937 1.00 0.00 O ATOM 914 NE2 GLN A 577 54.655 -7.811 -10.876 1.00 0.00 N ATOM 0 H GLN A 577 59.681 -6.843 -12.080 1.00 0.00 H new ATOM 0 HA GLN A 577 58.731 -5.953 -9.606 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.589 -8.614 -11.094 1.00 0.00 H new ATOM 0 HB3 GLN A 577 57.778 -8.390 -9.556 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.670 -6.294 -10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.331 -6.772 -12.112 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.516 -6.928 -10.385 1.00 0.00 H new ATOM 0 HE22 GLN A 577 53.873 -8.454 -11.001 1.00 0.00 H new ATOM 923 N THR A 578 61.070 -8.282 -9.374 1.00 0.00 N ATOM 924 CA THR A 578 61.928 -8.996 -8.423 1.00 0.00 C ATOM 925 C THR A 578 62.637 -8.027 -7.475 1.00 0.00 C ATOM 926 O THR A 578 62.550 -8.172 -6.253 1.00 0.00 O ATOM 927 CB THR A 578 62.968 -9.840 -9.175 1.00 0.00 C ATOM 928 OG1 THR A 578 62.313 -10.616 -10.168 1.00 0.00 O ATOM 929 CG2 THR A 578 63.699 -10.773 -8.200 1.00 0.00 C ATOM 0 H THR A 578 61.269 -8.477 -10.355 1.00 0.00 H new ATOM 0 HA THR A 578 61.291 -9.651 -7.828 1.00 0.00 H new ATOM 0 HB THR A 578 63.695 -9.176 -9.642 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.124 -10.055 -10.949 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.433 -11.366 -8.745 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.205 -10.179 -7.439 1.00 0.00 H new ATOM 0 HG23 THR A 578 62.979 -11.437 -7.723 1.00 0.00 H new ATOM 937 N LEU A 579 63.291 -7.008 -8.031 1.00 0.00 N ATOM 938 CA LEU A 579 64.066 -6.082 -7.199 1.00 0.00 C ATOM 939 C LEU A 579 63.161 -5.270 -6.274 1.00 0.00 C ATOM 940 O LEU A 579 63.534 -4.979 -5.136 1.00 0.00 O ATOM 941 CB LEU A 579 64.901 -5.125 -8.059 1.00 0.00 C ATOM 942 CG LEU A 579 65.778 -5.899 -9.060 1.00 0.00 C ATOM 943 CD1 LEU A 579 66.760 -4.925 -9.706 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.574 -7.008 -8.357 1.00 0.00 C ATOM 0 H LEU A 579 63.303 -6.803 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 579 64.736 -6.691 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.240 -4.446 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.533 -4.511 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 579 65.131 -6.356 -9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.388 -5.460 -10.418 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.207 -4.143 -10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.387 -4.476 -8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.184 -7.538 -9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.219 -6.567 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 579 65.884 -7.708 -7.885 1.00 0.00 H new ATOM 956 N ILE A 580 61.974 -4.905 -6.761 1.00 0.00 N ATOM 957 CA ILE A 580 61.037 -4.109 -5.962 1.00 0.00 C ATOM 958 C ILE A 580 60.566 -4.902 -4.738 1.00 0.00 C ATOM 959 O ILE A 580 60.501 -4.365 -3.631 1.00 0.00 O ATOM 960 CB ILE A 580 59.837 -3.694 -6.830 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.344 -2.884 -8.029 1.00 0.00 C ATOM 962 CG2 ILE A 580 58.872 -2.825 -6.011 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.207 -2.677 -9.032 1.00 0.00 C ATOM 0 H ILE A 580 61.640 -5.144 -7.695 1.00 0.00 H new ATOM 0 HA ILE A 580 61.546 -3.212 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 580 59.314 -4.587 -7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 580 60.725 -1.920 -7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.173 -3.405 -8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.025 -2.536 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.514 -3.391 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.391 -1.931 -5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.572 -2.101 -9.882 1.00 0.00 H new ATOM 0 HD12 ILE A 580 58.846 -3.646 -9.378 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.391 -2.137 -8.551 1.00 0.00 H new ATOM 975 N ALA A 581 60.237 -6.177 -4.947 1.00 0.00 N ATOM 976 CA ALA A 581 59.861 -7.065 -3.844 1.00 0.00 C ATOM 977 C ALA A 581 60.998 -7.191 -2.827 1.00 0.00 C ATOM 978 O ALA A 581 60.756 -7.353 -1.630 1.00 0.00 O ATOM 979 CB ALA A 581 59.509 -8.453 -4.386 1.00 0.00 C ATOM 0 H ALA A 581 60.223 -6.618 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 581 58.993 -6.633 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.231 -9.107 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.673 -8.371 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.372 -8.871 -4.904 1.00 0.00 H new ATOM 985 N ALA A 582 62.235 -7.117 -3.319 1.00 0.00 N ATOM 986 CA ALA A 582 63.408 -7.144 -2.443 1.00 0.00 C ATOM 987 C ALA A 582 63.598 -5.812 -1.698 1.00 0.00 C ATOM 988 O ALA A 582 64.459 -5.712 -0.822 1.00 0.00 O ATOM 989 CB ALA A 582 64.661 -7.450 -3.267 1.00 0.00 C ATOM 0 H ALA A 582 62.451 -7.038 -4.313 1.00 0.00 H new ATOM 0 HA ALA A 582 63.247 -7.925 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.532 -7.469 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.550 -8.420 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 582 64.795 -6.679 -4.026 1.00 0.00 H new ATOM 995 N GLY A 583 62.800 -4.795 -2.043 1.00 0.00 N ATOM 996 CA GLY A 583 62.905 -3.489 -1.394 1.00 0.00 C ATOM 997 C GLY A 583 64.144 -2.718 -1.854 1.00 0.00 C ATOM 998 O GLY A 583 64.616 -1.821 -1.153 1.00 0.00 O ATOM 0 H GLY A 583 62.080 -4.853 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.012 -2.903 -1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 583 62.942 -3.623 -0.313 1.00 0.00 H new ATOM 1002 N ILE A 584 64.668 -3.071 -3.030 1.00 0.00 N ATOM 1003 CA ILE A 584 65.825 -2.367 -3.589 1.00 0.00 C ATOM 1004 C ILE A 584 65.374 -1.155 -4.404 1.00 0.00 C ATOM 1005 O ILE A 584 66.078 -0.146 -4.469 1.00 0.00 O ATOM 1006 CB ILE A 584 66.647 -3.300 -4.492 1.00 0.00 C ATOM 1007 CG1 ILE A 584 66.873 -4.649 -3.793 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.004 -2.653 -4.782 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.475 -5.653 -4.779 1.00 0.00 C ATOM 0 H ILE A 584 64.314 -3.832 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 584 66.445 -2.035 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 584 66.103 -3.465 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.540 -4.519 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 584 65.928 -5.030 -3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 584 68.591 -3.311 -5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 584 67.852 -1.698 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 584 68.536 -2.489 -3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.632 -6.607 -4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 584 66.793 -5.793 -5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.429 -5.275 -5.146 1.00 0.00 H new ATOM 1021 N ILE A 585 64.198 -1.261 -5.025 1.00 0.00 N ATOM 1022 CA ILE A 585 63.698 -0.207 -5.904 1.00 0.00 C ATOM 1023 C ILE A 585 62.297 0.214 -5.462 1.00 0.00 C ATOM 1024 O ILE A 585 61.502 -0.618 -5.023 1.00 0.00 O ATOM 1025 CB ILE A 585 63.666 -0.712 -7.355 1.00 0.00 C ATOM 1026 CG1 ILE A 585 65.060 -1.215 -7.755 1.00 0.00 C ATOM 1027 CG2 ILE A 585 63.256 0.426 -8.296 1.00 0.00 C ATOM 1028 CD1 ILE A 585 64.979 -1.944 -9.098 1.00 0.00 C ATOM 0 H ILE A 585 63.577 -2.065 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 585 64.361 0.656 -5.845 1.00 0.00 H new ATOM 0 HB ILE A 585 62.943 -1.524 -7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 585 65.753 -0.377 -7.826 1.00 0.00 H new ATOM 0 HG13 ILE A 585 65.449 -1.886 -6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 585 63.236 0.060 -9.322 1.00 0.00 H new ATOM 0 HG22 ILE A 585 62.265 0.787 -8.020 1.00 0.00 H new ATOM 0 HG23 ILE A 585 63.975 1.241 -8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 585 65.970 -2.300 -9.379 1.00 0.00 H new ATOM 0 HD12 ILE A 585 64.300 -2.792 -9.011 1.00 0.00 H new ATOM 0 HD13 ILE A 585 64.609 -1.260 -9.862 1.00 0.00 H new ATOM 1040 N ARG A 586 62.003 1.509 -5.582 1.00 0.00 N ATOM 1041 CA ARG A 586 60.712 2.036 -5.147 1.00 0.00 C ATOM 1042 C ARG A 586 60.150 3.011 -6.178 1.00 0.00 C ATOM 1043 O ARG A 586 60.891 3.802 -6.765 1.00 0.00 O ATOM 1044 CB ARG A 586 60.864 2.747 -3.801 1.00 0.00 C ATOM 1045 CG ARG A 586 61.260 1.731 -2.728 1.00 0.00 C ATOM 1046 CD ARG A 586 61.296 2.416 -1.360 1.00 0.00 C ATOM 1047 NE ARG A 586 62.267 3.514 -1.366 1.00 0.00 N ATOM 1048 CZ ARG A 586 62.299 4.446 -0.403 1.00 0.00 C ATOM 1049 NH1 ARG A 586 61.455 4.421 0.602 1.00 0.00 N ATOM 1050 NH2 ARG A 586 63.190 5.398 -0.465 1.00 0.00 N ATOM 0 H ARG A 586 62.636 2.206 -5.974 1.00 0.00 H new ATOM 0 HA ARG A 586 60.020 1.200 -5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 586 61.621 3.528 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 586 59.928 3.234 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 586 60.548 0.906 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 586 62.237 1.306 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 586 60.306 2.798 -1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 586 61.561 1.692 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 586 62.941 3.571 -2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 586 60.755 3.681 0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 586 61.499 5.141 1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 586 63.852 5.427 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 586 63.224 6.113 0.262 1.00 0.00 H new