USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 375 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 NoAdj-H: A 392 HIS HE2 : A 392 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD NoAdj-H: A 398 HIS HE2 : A 398 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0327) USER MOD Single : A 375 LYS NZ :NH3+ -132:sc= -0.0132 (180deg=-0.236) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 149:sc= 0.0515 USER MOD Single : A 380 MET CE :methyl -164:sc= -0.033 (180deg=-0.482) USER MOD Single : A 381 TYR OH : rot 165:sc= -0.369 USER MOD Single : A 384 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= -0.0846 K(o=-0.085,f=-3.7!) USER MOD Single : A 394 GLN : amide:sc= -1.73 X(o=-1.7,f=-2!) USER MOD Single : A 395 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.32) USER MOD Single : A 397 SER OG : rot 173:sc= -1.54 USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot -68:sc= 1.12 USER MOD Single : A 408 GLN : amide:sc= 0.678 K(o=0.68,f=-0.015) USER MOD Single : A 412 GLN : amide:sc= -3.72! C(o=-3.7!,f=-5.7!) USER MOD Single : A 415 THR OG1 : rot -60:sc= 0.242 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -14.641 -16.470 -4.049 1.00 0.00 N ATOM 2 CA GLY A 363 -14.542 -15.361 -3.058 1.00 0.00 C ATOM 3 C GLY A 363 -14.858 -14.025 -3.748 1.00 0.00 C ATOM 4 O GLY A 363 -14.979 -13.976 -4.955 1.00 0.00 O ATOM 0 HA2 GLY A 363 -15.237 -15.531 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -13.541 -15.332 -2.628 1.00 0.00 H new ATOM 10 N PRO A 364 -14.983 -12.975 -2.961 1.00 0.00 N ATOM 11 CA PRO A 364 -15.288 -11.641 -3.537 1.00 0.00 C ATOM 12 C PRO A 364 -14.056 -11.076 -4.260 1.00 0.00 C ATOM 13 O PRO A 364 -13.028 -10.847 -3.651 1.00 0.00 O ATOM 14 CB PRO A 364 -15.639 -10.793 -2.317 1.00 0.00 C ATOM 15 CG PRO A 364 -14.945 -11.454 -1.171 1.00 0.00 C ATOM 16 CD PRO A 364 -14.857 -12.923 -1.494 1.00 0.00 C ATOM 0 HA PRO A 364 -16.089 -11.667 -4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 364 -15.302 -9.764 -2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 364 -16.717 -10.758 -2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 364 -13.951 -11.031 -1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 364 -15.496 -11.296 -0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 364 -13.911 -13.349 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 364 -15.651 -13.487 -1.005 1.00 0.00 H new ATOM 24 N LEU A 365 -14.147 -10.847 -5.556 1.00 0.00 N ATOM 25 CA LEU A 365 -12.975 -10.298 -6.303 1.00 0.00 C ATOM 26 C LEU A 365 -13.437 -9.220 -7.296 1.00 0.00 C ATOM 27 O LEU A 365 -13.018 -9.209 -8.438 1.00 0.00 O ATOM 28 CB LEU A 365 -12.383 -11.494 -7.046 1.00 0.00 C ATOM 29 CG LEU A 365 -10.959 -11.163 -7.496 1.00 0.00 C ATOM 30 CD1 LEU A 365 -9.971 -11.551 -6.395 1.00 0.00 C ATOM 31 CD2 LEU A 365 -10.634 -11.946 -8.770 1.00 0.00 C ATOM 0 H LEU A 365 -14.980 -11.017 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 365 -12.246 -9.829 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 365 -12.376 -12.371 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 365 -13.000 -11.741 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 365 -10.880 -10.094 -7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 365 -8.957 -11.315 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 365 -10.202 -10.995 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 365 -10.049 -12.620 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 365 -9.620 -11.711 -9.092 1.00 0.00 H new ATOM 0 HD22 LEU A 365 -10.713 -13.015 -8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 365 -11.337 -11.670 -9.556 1.00 0.00 H new ATOM 43 N GLY A 366 -14.296 -8.314 -6.875 1.00 0.00 N ATOM 44 CA GLY A 366 -14.774 -7.247 -7.805 1.00 0.00 C ATOM 45 C GLY A 366 -14.083 -5.919 -7.461 1.00 0.00 C ATOM 46 O GLY A 366 -14.442 -5.263 -6.502 1.00 0.00 O ATOM 0 H GLY A 366 -14.682 -8.272 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -14.557 -7.525 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -15.856 -7.138 -7.725 1.00 0.00 H new ATOM 50 N SER A 367 -13.094 -5.516 -8.233 1.00 0.00 N ATOM 51 CA SER A 367 -12.391 -4.231 -7.939 1.00 0.00 C ATOM 52 C SER A 367 -12.146 -3.451 -9.240 1.00 0.00 C ATOM 53 O SER A 367 -12.617 -2.340 -9.396 1.00 0.00 O ATOM 54 CB SER A 367 -11.065 -4.643 -7.303 1.00 0.00 C ATOM 55 OG SER A 367 -11.168 -4.534 -5.889 1.00 0.00 O ATOM 0 H SER A 367 -12.749 -6.022 -9.048 1.00 0.00 H new ATOM 0 HA SER A 367 -12.972 -3.582 -7.285 1.00 0.00 H new ATOM 0 HB2 SER A 367 -10.817 -5.667 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 367 -10.259 -4.008 -7.671 1.00 0.00 H new ATOM 0 HG SER A 367 -10.319 -4.799 -5.478 1.00 0.00 H new ATOM 61 N GLY A 368 -11.411 -4.019 -10.177 1.00 0.00 N ATOM 62 CA GLY A 368 -11.143 -3.301 -11.457 1.00 0.00 C ATOM 63 C GLY A 368 -9.628 -3.211 -11.688 1.00 0.00 C ATOM 64 O GLY A 368 -8.909 -4.168 -11.468 1.00 0.00 O ATOM 0 H GLY A 368 -10.990 -4.945 -10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.617 -3.826 -12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -11.576 -2.301 -11.423 1.00 0.00 H new ATOM 68 N SER A 369 -9.133 -2.072 -12.130 1.00 0.00 N ATOM 69 CA SER A 369 -7.664 -1.936 -12.369 1.00 0.00 C ATOM 70 C SER A 369 -7.152 -0.612 -11.782 1.00 0.00 C ATOM 71 O SER A 369 -7.588 0.452 -12.181 1.00 0.00 O ATOM 72 CB SER A 369 -7.511 -1.943 -13.889 1.00 0.00 C ATOM 73 OG SER A 369 -6.162 -2.248 -14.223 1.00 0.00 O ATOM 0 H SER A 369 -9.684 -1.238 -12.333 1.00 0.00 H new ATOM 0 HA SER A 369 -7.091 -2.734 -11.897 1.00 0.00 H new ATOM 0 HB2 SER A 369 -8.183 -2.679 -14.330 1.00 0.00 H new ATOM 0 HB3 SER A 369 -7.789 -0.972 -14.299 1.00 0.00 H new ATOM 0 HG SER A 369 -6.060 -2.255 -15.198 1.00 0.00 H new ATOM 79 N GLU A 370 -6.232 -0.662 -10.839 1.00 0.00 N ATOM 80 CA GLU A 370 -5.706 0.601 -10.241 1.00 0.00 C ATOM 81 C GLU A 370 -4.187 0.493 -10.032 1.00 0.00 C ATOM 82 O GLU A 370 -3.695 0.658 -8.931 1.00 0.00 O ATOM 83 CB GLU A 370 -6.431 0.734 -8.900 1.00 0.00 C ATOM 84 CG GLU A 370 -7.917 0.997 -9.149 1.00 0.00 C ATOM 85 CD GLU A 370 -8.602 1.353 -7.829 1.00 0.00 C ATOM 86 OE1 GLU A 370 -8.090 2.212 -7.131 1.00 0.00 O ATOM 87 OE2 GLU A 370 -9.628 0.759 -7.538 1.00 0.00 O ATOM 0 H GLU A 370 -5.829 -1.521 -10.464 1.00 0.00 H new ATOM 0 HA GLU A 370 -5.875 1.467 -10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -6.305 -0.176 -8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -5.999 1.549 -8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -8.038 1.810 -9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -8.385 0.115 -9.587 1.00 0.00 H new ATOM 94 N GLY A 371 -3.436 0.217 -11.081 1.00 0.00 N ATOM 95 CA GLY A 371 -1.955 0.102 -10.932 1.00 0.00 C ATOM 96 C GLY A 371 -1.261 0.847 -12.083 1.00 0.00 C ATOM 97 O GLY A 371 -0.273 0.378 -12.617 1.00 0.00 O ATOM 0 H GLY A 371 -3.789 0.068 -12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -1.642 0.519 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -1.660 -0.947 -10.934 1.00 0.00 H new ATOM 101 N ASN A 372 -1.764 2.001 -12.473 1.00 0.00 N ATOM 102 CA ASN A 372 -1.121 2.760 -13.588 1.00 0.00 C ATOM 103 C ASN A 372 -1.254 4.274 -13.351 1.00 0.00 C ATOM 104 O ASN A 372 -0.271 4.954 -13.121 1.00 0.00 O ATOM 105 CB ASN A 372 -1.885 2.344 -14.846 1.00 0.00 C ATOM 106 CG ASN A 372 -1.203 1.126 -15.482 1.00 0.00 C ATOM 107 OD1 ASN A 372 -0.229 1.270 -16.195 1.00 0.00 O ATOM 108 ND2 ASN A 372 -1.671 -0.078 -15.259 1.00 0.00 N ATOM 0 H ASN A 372 -2.588 2.443 -12.066 1.00 0.00 H new ATOM 0 HA ASN A 372 -0.055 2.546 -13.670 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -2.918 2.105 -14.594 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -1.913 3.170 -15.557 1.00 0.00 H new ATOM 0 HD21 ASN A 372 -1.218 -0.888 -15.683 1.00 0.00 H new ATOM 0 HD22 ASN A 372 -2.488 -0.205 -14.662 1.00 0.00 H new ATOM 115 N LYS A 373 -2.459 4.811 -13.403 1.00 0.00 N ATOM 116 CA LYS A 373 -2.636 6.277 -13.177 1.00 0.00 C ATOM 117 C LYS A 373 -3.901 6.538 -12.346 1.00 0.00 C ATOM 118 O LYS A 373 -4.862 7.107 -12.832 1.00 0.00 O ATOM 119 CB LYS A 373 -2.774 6.884 -14.577 1.00 0.00 C ATOM 120 CG LYS A 373 -1.382 7.128 -15.177 1.00 0.00 C ATOM 121 CD LYS A 373 -1.363 6.668 -16.636 1.00 0.00 C ATOM 122 CE LYS A 373 -0.051 7.103 -17.292 1.00 0.00 C ATOM 123 NZ LYS A 373 0.951 6.090 -16.858 1.00 0.00 N ATOM 0 H LYS A 373 -3.318 4.295 -13.592 1.00 0.00 H new ATOM 0 HA LYS A 373 -1.802 6.713 -12.627 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -3.345 6.213 -15.220 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -3.327 7.822 -14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -1.129 8.187 -15.116 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -0.629 6.587 -14.605 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -1.466 5.584 -16.688 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -2.210 7.095 -17.174 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -0.142 7.128 -18.378 1.00 0.00 H new ATOM 0 HE3 LYS A 373 0.237 8.105 -16.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 1.852 6.261 -17.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 1.096 6.163 -15.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 0.605 5.137 -17.092 1.00 0.00 H new ATOM 137 N VAL A 374 -3.911 6.134 -11.093 1.00 0.00 N ATOM 138 CA VAL A 374 -5.113 6.367 -10.241 1.00 0.00 C ATOM 139 C VAL A 374 -4.683 6.621 -8.786 1.00 0.00 C ATOM 140 O VAL A 374 -3.583 6.275 -8.395 1.00 0.00 O ATOM 141 CB VAL A 374 -5.941 5.081 -10.354 1.00 0.00 C ATOM 142 CG1 VAL A 374 -7.207 5.203 -9.503 1.00 0.00 C ATOM 143 CG2 VAL A 374 -6.339 4.856 -11.816 1.00 0.00 C ATOM 0 H VAL A 374 -3.138 5.655 -10.631 1.00 0.00 H new ATOM 0 HA VAL A 374 -5.686 7.239 -10.557 1.00 0.00 H new ATOM 0 HB VAL A 374 -5.344 4.240 -10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.792 4.287 -9.587 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -6.931 5.363 -8.461 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -7.802 6.046 -9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -6.927 3.942 -11.896 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -6.932 5.701 -12.166 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -5.441 4.764 -12.428 1.00 0.00 H new ATOM 153 N LYS A 375 -5.537 7.216 -7.981 1.00 0.00 N ATOM 154 CA LYS A 375 -5.156 7.475 -6.549 1.00 0.00 C ATOM 155 C LYS A 375 -5.500 6.247 -5.695 1.00 0.00 C ATOM 156 O LYS A 375 -6.597 6.126 -5.183 1.00 0.00 O ATOM 157 CB LYS A 375 -5.969 8.696 -6.090 1.00 0.00 C ATOM 158 CG LYS A 375 -5.157 9.970 -6.329 1.00 0.00 C ATOM 159 CD LYS A 375 -6.106 11.135 -6.617 1.00 0.00 C ATOM 160 CE LYS A 375 -6.476 11.831 -5.305 1.00 0.00 C ATOM 161 NZ LYS A 375 -5.304 12.694 -4.982 1.00 0.00 N ATOM 0 H LYS A 375 -6.470 7.530 -8.248 1.00 0.00 H new ATOM 0 HA LYS A 375 -4.087 7.664 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -6.911 8.745 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -6.218 8.604 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -4.545 10.193 -5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -4.475 9.827 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -5.632 11.844 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -7.005 10.771 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -7.384 12.424 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -6.663 11.106 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -5.033 12.554 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -4.505 12.439 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -5.555 13.692 -5.136 1.00 0.00 H new ATOM 175 N ARG A 376 -4.567 5.330 -5.542 1.00 0.00 N ATOM 176 CA ARG A 376 -4.849 4.105 -4.720 1.00 0.00 C ATOM 177 C ARG A 376 -5.243 4.502 -3.296 1.00 0.00 C ATOM 178 O ARG A 376 -4.820 5.526 -2.792 1.00 0.00 O ATOM 179 CB ARG A 376 -3.564 3.263 -4.694 1.00 0.00 C ATOM 180 CG ARG A 376 -3.666 2.151 -5.736 1.00 0.00 C ATOM 181 CD ARG A 376 -2.492 1.177 -5.576 1.00 0.00 C ATOM 182 NE ARG A 376 -1.723 1.292 -6.855 1.00 0.00 N ATOM 183 CZ ARG A 376 -0.778 2.207 -7.023 1.00 0.00 C ATOM 184 NH1 ARG A 376 -0.473 3.065 -6.078 1.00 0.00 N ATOM 185 NH2 ARG A 376 -0.135 2.266 -8.160 1.00 0.00 N ATOM 0 H ARG A 376 -3.632 5.377 -5.947 1.00 0.00 H new ATOM 0 HA ARG A 376 -5.674 3.538 -5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -2.699 3.893 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.416 2.835 -3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.610 1.618 -5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -3.661 2.579 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -1.874 1.440 -4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -2.843 0.158 -5.416 1.00 0.00 H new ATOM 0 HE ARG A 376 -1.932 0.649 -7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -0.968 3.039 -5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 376 0.259 3.758 -6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -0.362 1.612 -8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 376 0.593 2.967 -8.298 1.00 0.00 H new ATOM 199 N THR A 377 -6.040 3.690 -2.638 1.00 0.00 N ATOM 200 CA THR A 377 -6.443 4.024 -1.238 1.00 0.00 C ATOM 201 C THR A 377 -5.314 3.607 -0.286 1.00 0.00 C ATOM 202 O THR A 377 -4.754 2.541 -0.437 1.00 0.00 O ATOM 203 CB THR A 377 -7.752 3.244 -0.976 1.00 0.00 C ATOM 204 OG1 THR A 377 -8.391 3.764 0.181 1.00 0.00 O ATOM 205 CG2 THR A 377 -7.468 1.749 -0.773 1.00 0.00 C ATOM 0 H THR A 377 -6.424 2.820 -3.008 1.00 0.00 H new ATOM 0 HA THR A 377 -6.612 5.089 -1.082 1.00 0.00 H new ATOM 0 HB THR A 377 -8.401 3.359 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 377 -9.221 3.270 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 377 -8.405 1.222 -0.590 1.00 0.00 H new ATOM 0 HG22 THR A 377 -6.992 1.344 -1.666 1.00 0.00 H new ATOM 0 HG23 THR A 377 -6.805 1.617 0.082 1.00 0.00 H new ATOM 213 N SER A 378 -4.969 4.425 0.683 1.00 0.00 N ATOM 214 CA SER A 378 -3.850 4.041 1.628 1.00 0.00 C ATOM 215 C SER A 378 -4.107 2.635 2.204 1.00 0.00 C ATOM 216 O SER A 378 -5.244 2.233 2.365 1.00 0.00 O ATOM 217 CB SER A 378 -3.845 5.087 2.756 1.00 0.00 C ATOM 218 OG SER A 378 -3.401 4.477 3.960 1.00 0.00 O ATOM 0 H SER A 378 -5.402 5.330 0.865 1.00 0.00 H new ATOM 0 HA SER A 378 -2.889 4.018 1.114 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.191 5.919 2.494 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.845 5.498 2.891 1.00 0.00 H new ATOM 0 HG SER A 378 -2.935 5.140 4.510 1.00 0.00 H new ATOM 224 N CYS A 379 -3.072 1.880 2.510 1.00 0.00 N ATOM 225 CA CYS A 379 -3.296 0.494 3.070 1.00 0.00 C ATOM 226 C CYS A 379 -3.838 0.575 4.508 1.00 0.00 C ATOM 227 O CYS A 379 -3.734 1.602 5.153 1.00 0.00 O ATOM 228 CB CYS A 379 -1.917 -0.190 3.066 1.00 0.00 C ATOM 229 SG CYS A 379 -2.116 -1.986 3.035 1.00 0.00 S ATOM 0 H CYS A 379 -2.096 2.154 2.400 1.00 0.00 H new ATOM 0 HA CYS A 379 -4.025 -0.060 2.478 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.343 0.135 2.198 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.353 0.106 3.950 1.00 0.00 H new ATOM 234 N MET A 380 -4.399 -0.503 5.028 1.00 0.00 N ATOM 235 CA MET A 380 -4.921 -0.468 6.446 1.00 0.00 C ATOM 236 C MET A 380 -3.764 -0.217 7.434 1.00 0.00 C ATOM 237 O MET A 380 -3.954 0.401 8.465 1.00 0.00 O ATOM 238 CB MET A 380 -5.547 -1.845 6.726 1.00 0.00 C ATOM 239 CG MET A 380 -6.759 -2.053 5.817 1.00 0.00 C ATOM 240 SD MET A 380 -7.802 -3.374 6.487 1.00 0.00 S ATOM 241 CE MET A 380 -6.622 -4.734 6.297 1.00 0.00 C ATOM 0 H MET A 380 -4.517 -1.392 4.542 1.00 0.00 H new ATOM 0 HA MET A 380 -5.651 0.332 6.568 1.00 0.00 H new ATOM 0 HB2 MET A 380 -4.812 -2.631 6.554 1.00 0.00 H new ATOM 0 HB3 MET A 380 -5.848 -1.913 7.771 1.00 0.00 H new ATOM 0 HG2 MET A 380 -7.331 -1.128 5.739 1.00 0.00 H new ATOM 0 HG3 MET A 380 -6.431 -2.310 4.810 1.00 0.00 H new ATOM 0 HE1 MET A 380 -7.147 -5.686 6.382 1.00 0.00 H new ATOM 0 HE2 MET A 380 -6.146 -4.668 5.319 1.00 0.00 H new ATOM 0 HE3 MET A 380 -5.862 -4.668 7.076 1.00 0.00 H new ATOM 251 N TYR A 381 -2.563 -0.673 7.120 1.00 0.00 N ATOM 252 CA TYR A 381 -1.412 -0.425 8.050 1.00 0.00 C ATOM 253 C TYR A 381 -0.797 0.962 7.787 1.00 0.00 C ATOM 254 O TYR A 381 -0.175 1.531 8.665 1.00 0.00 O ATOM 255 CB TYR A 381 -0.383 -1.533 7.787 1.00 0.00 C ATOM 256 CG TYR A 381 -0.895 -2.839 8.348 1.00 0.00 C ATOM 257 CD1 TYR A 381 -0.764 -3.120 9.735 1.00 0.00 C ATOM 258 CD2 TYR A 381 -1.508 -3.789 7.486 1.00 0.00 C ATOM 259 CE1 TYR A 381 -1.246 -4.349 10.260 1.00 0.00 C ATOM 260 CE2 TYR A 381 -1.989 -5.018 8.011 1.00 0.00 C ATOM 261 CZ TYR A 381 -1.858 -5.299 9.398 1.00 0.00 C ATOM 262 OH TYR A 381 -2.322 -6.496 9.907 1.00 0.00 O ATOM 0 H TYR A 381 -2.338 -1.197 6.274 1.00 0.00 H new ATOM 0 HA TYR A 381 -1.739 -0.440 9.090 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -0.203 -1.630 6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 381 0.570 -1.276 8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -0.298 -2.399 10.390 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -1.608 -3.576 6.432 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -1.147 -4.561 11.314 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -2.455 -5.739 7.356 1.00 0.00 H new ATOM 0 HH TYR A 381 -2.914 -6.922 9.253 1.00 0.00 H new ATOM 272 N GLY A 382 -0.963 1.524 6.599 1.00 0.00 N ATOM 273 CA GLY A 382 -0.385 2.871 6.326 1.00 0.00 C ATOM 274 C GLY A 382 1.140 2.770 6.248 1.00 0.00 C ATOM 275 O GLY A 382 1.698 2.610 5.182 1.00 0.00 O ATOM 0 H GLY A 382 -1.471 1.103 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -0.782 3.265 5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -0.673 3.568 7.113 1.00 0.00 H new ATOM 279 N ALA A 383 1.821 2.851 7.369 1.00 0.00 N ATOM 280 CA ALA A 383 3.314 2.752 7.341 1.00 0.00 C ATOM 281 C ALA A 383 3.823 1.410 7.908 1.00 0.00 C ATOM 282 O ALA A 383 5.015 1.161 7.887 1.00 0.00 O ATOM 283 CB ALA A 383 3.809 3.916 8.205 1.00 0.00 C ATOM 0 H ALA A 383 1.410 2.980 8.294 1.00 0.00 H new ATOM 0 HA ALA A 383 3.685 2.799 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 383 4.899 3.910 8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 383 3.462 4.858 7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 383 3.419 3.809 9.217 1.00 0.00 H new ATOM 289 N ASN A 384 2.965 0.544 8.424 1.00 0.00 N ATOM 290 CA ASN A 384 3.476 -0.749 8.987 1.00 0.00 C ATOM 291 C ASN A 384 3.055 -1.977 8.149 1.00 0.00 C ATOM 292 O ASN A 384 3.128 -3.087 8.641 1.00 0.00 O ATOM 293 CB ASN A 384 2.871 -0.836 10.391 1.00 0.00 C ATOM 294 CG ASN A 384 3.696 0.023 11.357 1.00 0.00 C ATOM 295 OD1 ASN A 384 4.693 -0.429 11.882 1.00 0.00 O ATOM 296 ND2 ASN A 384 3.324 1.253 11.618 1.00 0.00 N ATOM 0 H ASN A 384 1.955 0.678 8.477 1.00 0.00 H new ATOM 0 HA ASN A 384 4.566 -0.760 8.988 1.00 0.00 H new ATOM 0 HB2 ASN A 384 1.837 -0.493 10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 384 2.858 -1.872 10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 384 3.872 1.826 12.260 1.00 0.00 H new ATOM 0 HD22 ASN A 384 2.487 1.637 11.179 1.00 0.00 H new ATOM 303 N CYS A 385 2.609 -1.815 6.905 1.00 0.00 N ATOM 304 CA CYS A 385 2.195 -3.026 6.082 1.00 0.00 C ATOM 305 C CYS A 385 3.269 -4.128 6.168 1.00 0.00 C ATOM 306 O CYS A 385 4.454 -3.843 6.178 1.00 0.00 O ATOM 307 CB CYS A 385 2.046 -2.544 4.622 1.00 0.00 C ATOM 308 SG CYS A 385 1.205 -3.814 3.633 1.00 0.00 S ATOM 0 H CYS A 385 2.515 -0.916 6.432 1.00 0.00 H new ATOM 0 HA CYS A 385 1.261 -3.447 6.455 1.00 0.00 H new ATOM 0 HB2 CYS A 385 1.479 -1.614 4.593 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.028 -2.332 4.198 1.00 0.00 H new ATOM 313 N TYR A 386 2.866 -5.377 6.247 1.00 0.00 N ATOM 314 CA TYR A 386 3.875 -6.480 6.352 1.00 0.00 C ATOM 315 C TYR A 386 3.745 -7.507 5.199 1.00 0.00 C ATOM 316 O TYR A 386 4.743 -7.967 4.678 1.00 0.00 O ATOM 317 CB TYR A 386 3.632 -7.126 7.727 1.00 0.00 C ATOM 318 CG TYR A 386 2.335 -7.905 7.740 1.00 0.00 C ATOM 319 CD1 TYR A 386 2.319 -9.254 7.294 1.00 0.00 C ATOM 320 CD2 TYR A 386 1.137 -7.293 8.195 1.00 0.00 C ATOM 321 CE1 TYR A 386 1.105 -9.992 7.303 1.00 0.00 C ATOM 322 CE2 TYR A 386 -0.078 -8.031 8.204 1.00 0.00 C ATOM 323 CZ TYR A 386 -0.094 -9.380 7.758 1.00 0.00 C ATOM 324 OH TYR A 386 -1.274 -10.097 7.765 1.00 0.00 O ATOM 0 H TYR A 386 1.891 -5.677 6.243 1.00 0.00 H new ATOM 0 HA TYR A 386 4.891 -6.095 6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 386 4.461 -7.790 7.972 1.00 0.00 H new ATOM 0 HB3 TYR A 386 3.604 -6.354 8.496 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.230 -9.719 6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 386 1.149 -6.268 8.534 1.00 0.00 H new ATOM 0 HE1 TYR A 386 1.093 -11.017 6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -0.989 -7.566 8.550 1.00 0.00 H new ATOM 0 HH TYR A 386 -1.998 -9.532 8.106 1.00 0.00 H new ATOM 334 N ARG A 387 2.540 -7.870 4.786 1.00 0.00 N ATOM 335 CA ARG A 387 2.412 -8.868 3.660 1.00 0.00 C ATOM 336 C ARG A 387 3.110 -8.318 2.404 1.00 0.00 C ATOM 337 O ARG A 387 3.172 -7.119 2.207 1.00 0.00 O ATOM 338 CB ARG A 387 0.904 -9.075 3.401 1.00 0.00 C ATOM 339 CG ARG A 387 0.235 -7.740 3.032 1.00 0.00 C ATOM 340 CD ARG A 387 -0.677 -7.273 4.178 1.00 0.00 C ATOM 341 NE ARG A 387 -1.979 -6.930 3.531 1.00 0.00 N ATOM 342 CZ ARG A 387 -2.818 -7.874 3.129 1.00 0.00 C ATOM 343 NH1 ARG A 387 -2.541 -9.148 3.287 1.00 0.00 N ATOM 344 NH2 ARG A 387 -3.948 -7.535 2.566 1.00 0.00 N ATOM 0 H ARG A 387 1.660 -7.527 5.171 1.00 0.00 H new ATOM 0 HA ARG A 387 2.882 -9.817 3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 387 0.762 -9.795 2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 387 0.430 -9.493 4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 387 0.996 -6.986 2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 387 -0.347 -7.856 2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -0.803 -8.057 4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.253 -6.410 4.691 1.00 0.00 H new ATOM 0 HE ARG A 387 -2.227 -5.950 3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -1.665 -9.429 3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -3.202 -9.857 2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -4.179 -6.550 2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -4.599 -8.256 2.254 1.00 0.00 H new ATOM 358 N LYS A 388 3.648 -9.177 1.560 1.00 0.00 N ATOM 359 CA LYS A 388 4.349 -8.673 0.337 1.00 0.00 C ATOM 360 C LYS A 388 3.775 -9.317 -0.935 1.00 0.00 C ATOM 361 O LYS A 388 4.397 -10.168 -1.542 1.00 0.00 O ATOM 362 CB LYS A 388 5.828 -9.043 0.525 1.00 0.00 C ATOM 363 CG LYS A 388 5.985 -10.558 0.722 1.00 0.00 C ATOM 364 CD LYS A 388 7.211 -11.055 -0.050 1.00 0.00 C ATOM 365 CE LYS A 388 6.776 -11.581 -1.419 1.00 0.00 C ATOM 366 NZ LYS A 388 7.832 -12.557 -1.809 1.00 0.00 N ATOM 0 H LYS A 388 3.630 -10.191 1.667 1.00 0.00 H new ATOM 0 HA LYS A 388 4.218 -7.598 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.402 -8.722 -0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 388 6.234 -8.515 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 388 6.093 -10.787 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.090 -11.074 0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 388 7.930 -10.245 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.712 -11.844 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 388 5.797 -12.058 -1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 388 6.697 -10.773 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 7.604 -12.962 -2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 8.751 -12.073 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 7.879 -13.319 -1.102 1.00 0.00 H new ATOM 380 N ASN A 389 2.598 -8.899 -1.357 1.00 0.00 N ATOM 381 CA ASN A 389 2.000 -9.473 -2.599 1.00 0.00 C ATOM 382 C ASN A 389 1.953 -8.394 -3.687 1.00 0.00 C ATOM 383 O ASN A 389 1.797 -7.227 -3.379 1.00 0.00 O ATOM 384 CB ASN A 389 0.581 -9.895 -2.213 1.00 0.00 C ATOM 385 CG ASN A 389 0.628 -11.216 -1.436 1.00 0.00 C ATOM 386 OD1 ASN A 389 1.482 -11.402 -0.592 1.00 0.00 O ATOM 387 ND2 ASN A 389 -0.258 -12.150 -1.681 1.00 0.00 N ATOM 0 H ASN A 389 2.033 -8.188 -0.893 1.00 0.00 H new ATOM 0 HA ASN A 389 2.577 -10.313 -2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 389 0.114 -9.121 -1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.031 -10.010 -3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -0.229 -13.029 -1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -0.977 -11.998 -2.389 1.00 0.00 H new ATOM 394 N PRO A 390 2.084 -8.802 -4.930 1.00 0.00 N ATOM 395 CA PRO A 390 2.044 -7.820 -6.034 1.00 0.00 C ATOM 396 C PRO A 390 0.622 -7.247 -6.205 1.00 0.00 C ATOM 397 O PRO A 390 0.385 -6.105 -5.865 1.00 0.00 O ATOM 398 CB PRO A 390 2.533 -8.611 -7.248 1.00 0.00 C ATOM 399 CG PRO A 390 2.285 -10.054 -6.923 1.00 0.00 C ATOM 400 CD PRO A 390 2.274 -10.182 -5.419 1.00 0.00 C ATOM 0 HA PRO A 390 2.667 -6.942 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 390 1.996 -8.315 -8.149 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.592 -8.428 -7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 390 1.335 -10.384 -7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.062 -10.684 -7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 390 1.470 -10.836 -5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 390 3.207 -10.608 -5.050 1.00 0.00 H new ATOM 408 N VAL A 391 -0.324 -8.003 -6.741 1.00 0.00 N ATOM 409 CA VAL A 391 -1.734 -7.470 -6.945 1.00 0.00 C ATOM 410 C VAL A 391 -2.237 -6.644 -5.729 1.00 0.00 C ATOM 411 O VAL A 391 -3.030 -5.736 -5.897 1.00 0.00 O ATOM 412 CB VAL A 391 -2.624 -8.708 -7.186 1.00 0.00 C ATOM 413 CG1 VAL A 391 -4.108 -8.314 -7.231 1.00 0.00 C ATOM 414 CG2 VAL A 391 -2.242 -9.345 -8.528 1.00 0.00 C ATOM 0 H VAL A 391 -0.184 -8.966 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 391 -1.764 -6.781 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 391 -2.470 -9.412 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -4.715 -9.203 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.392 -7.857 -6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -4.271 -7.602 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -2.866 -10.221 -8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -2.393 -8.622 -9.330 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -1.194 -9.645 -8.503 1.00 0.00 H new ATOM 424 N HIS A 392 -1.765 -6.906 -4.524 1.00 0.00 N ATOM 425 CA HIS A 392 -2.210 -6.073 -3.342 1.00 0.00 C ATOM 426 C HIS A 392 -1.683 -4.626 -3.510 1.00 0.00 C ATOM 427 O HIS A 392 -2.359 -3.674 -3.164 1.00 0.00 O ATOM 428 CB HIS A 392 -1.582 -6.752 -2.101 1.00 0.00 C ATOM 429 CG HIS A 392 -1.606 -5.838 -0.897 1.00 0.00 C ATOM 430 ND1 HIS A 392 -2.655 -5.832 0.006 1.00 0.00 N ATOM 431 CD2 HIS A 392 -0.705 -4.908 -0.439 1.00 0.00 C ATOM 432 CE1 HIS A 392 -2.363 -4.926 0.958 1.00 0.00 C ATOM 433 NE2 HIS A 392 -1.184 -4.335 0.736 1.00 0.00 N ATOM 0 H HIS A 392 -1.101 -7.649 -4.307 1.00 0.00 H new ATOM 0 HA HIS A 392 -3.295 -6.015 -3.250 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -2.125 -7.669 -1.873 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.553 -7.037 -2.322 1.00 0.00 H new ATOM 0 HD1 HIS A 392 -3.495 -6.408 -0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.231 -4.659 -0.917 1.00 0.00 H new ATOM 0 HE1 HIS A 392 -3.003 -4.703 1.799 1.00 0.00 H new ATOM 441 N PHE A 393 -0.496 -4.457 -4.065 1.00 0.00 N ATOM 442 CA PHE A 393 0.032 -3.063 -4.276 1.00 0.00 C ATOM 443 C PHE A 393 -0.888 -2.308 -5.250 1.00 0.00 C ATOM 444 O PHE A 393 -1.001 -1.098 -5.187 1.00 0.00 O ATOM 445 CB PHE A 393 1.440 -3.198 -4.878 1.00 0.00 C ATOM 446 CG PHE A 393 2.465 -3.179 -3.769 1.00 0.00 C ATOM 447 CD1 PHE A 393 2.780 -1.957 -3.116 1.00 0.00 C ATOM 448 CD2 PHE A 393 3.113 -4.382 -3.378 1.00 0.00 C ATOM 449 CE1 PHE A 393 3.744 -1.937 -2.072 1.00 0.00 C ATOM 450 CE2 PHE A 393 4.078 -4.361 -2.333 1.00 0.00 C ATOM 451 CZ PHE A 393 4.393 -3.139 -1.681 1.00 0.00 C ATOM 0 H PHE A 393 0.118 -5.210 -4.375 1.00 0.00 H new ATOM 0 HA PHE A 393 0.067 -2.509 -3.338 1.00 0.00 H new ATOM 0 HB2 PHE A 393 1.518 -4.126 -5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.629 -2.382 -5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 393 2.287 -1.043 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 393 2.873 -5.311 -3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 393 3.983 -1.008 -1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 393 4.571 -5.274 -2.035 1.00 0.00 H new ATOM 0 HZ PHE A 393 5.126 -3.124 -0.888 1.00 0.00 H new ATOM 461 N GLN A 394 -1.547 -3.011 -6.153 1.00 0.00 N ATOM 462 CA GLN A 394 -2.456 -2.309 -7.127 1.00 0.00 C ATOM 463 C GLN A 394 -3.775 -1.887 -6.456 1.00 0.00 C ATOM 464 O GLN A 394 -4.406 -0.940 -6.889 1.00 0.00 O ATOM 465 CB GLN A 394 -2.739 -3.300 -8.269 1.00 0.00 C ATOM 466 CG GLN A 394 -1.545 -3.338 -9.227 1.00 0.00 C ATOM 467 CD GLN A 394 -0.673 -4.556 -8.908 1.00 0.00 C ATOM 468 OE1 GLN A 394 -0.857 -5.612 -9.480 1.00 0.00 O ATOM 469 NE2 GLN A 394 0.279 -4.459 -8.013 1.00 0.00 N ATOM 0 H GLN A 394 -1.496 -4.024 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 394 -1.981 -1.401 -7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -2.924 -4.295 -7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.640 -3.003 -8.806 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -1.894 -3.387 -10.258 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -0.960 -2.423 -9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 394 0.437 -3.574 -7.530 1.00 0.00 H new ATOM 0 HE22 GLN A 394 0.862 -5.268 -7.799 1.00 0.00 H new ATOM 478 N HIS A 395 -4.211 -2.572 -5.415 1.00 0.00 N ATOM 479 CA HIS A 395 -5.505 -2.175 -4.756 1.00 0.00 C ATOM 480 C HIS A 395 -5.262 -1.188 -3.599 1.00 0.00 C ATOM 481 O HIS A 395 -6.068 -0.308 -3.363 1.00 0.00 O ATOM 482 CB HIS A 395 -6.114 -3.472 -4.214 1.00 0.00 C ATOM 483 CG HIS A 395 -6.468 -4.386 -5.355 1.00 0.00 C ATOM 484 ND1 HIS A 395 -7.387 -5.416 -5.218 1.00 0.00 N ATOM 485 CD2 HIS A 395 -6.032 -4.444 -6.656 1.00 0.00 C ATOM 486 CE1 HIS A 395 -7.473 -6.044 -6.405 1.00 0.00 C ATOM 487 NE2 HIS A 395 -6.669 -5.490 -7.317 1.00 0.00 N ATOM 0 H HIS A 395 -3.736 -3.374 -5.001 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.164 -1.676 -5.466 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -5.407 -3.965 -3.547 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -7.004 -3.248 -3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.305 -3.779 -7.099 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -8.114 -6.892 -6.597 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -6.548 -5.773 -8.289 1.00 0.00 H new ATOM 496 N PHE A 396 -4.177 -1.331 -2.865 1.00 0.00 N ATOM 497 CA PHE A 396 -3.921 -0.399 -1.716 1.00 0.00 C ATOM 498 C PHE A 396 -2.632 0.401 -1.949 1.00 0.00 C ATOM 499 O PHE A 396 -1.682 -0.105 -2.516 1.00 0.00 O ATOM 500 CB PHE A 396 -3.760 -1.308 -0.496 1.00 0.00 C ATOM 501 CG PHE A 396 -5.021 -2.114 -0.289 1.00 0.00 C ATOM 502 CD1 PHE A 396 -5.235 -3.300 -1.039 1.00 0.00 C ATOM 503 CD2 PHE A 396 -5.993 -1.686 0.656 1.00 0.00 C ATOM 504 CE1 PHE A 396 -6.420 -4.060 -0.847 1.00 0.00 C ATOM 505 CE2 PHE A 396 -7.179 -2.445 0.848 1.00 0.00 C ATOM 506 CZ PHE A 396 -7.391 -3.632 0.096 1.00 0.00 C ATOM 0 H PHE A 396 -3.465 -2.046 -3.011 1.00 0.00 H new ATOM 0 HA PHE A 396 -4.728 0.323 -1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -2.910 -1.975 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 396 -3.551 -0.709 0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -4.496 -3.625 -1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -5.830 -0.784 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -6.582 -4.962 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -7.919 -2.120 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 396 -8.292 -4.209 0.242 1.00 0.00 H new ATOM 516 N SER A 397 -2.586 1.648 -1.519 1.00 0.00 N ATOM 517 CA SER A 397 -1.353 2.463 -1.727 1.00 0.00 C ATOM 518 C SER A 397 -0.480 2.459 -0.462 1.00 0.00 C ATOM 519 O SER A 397 -0.890 2.007 0.588 1.00 0.00 O ATOM 520 CB SER A 397 -1.828 3.885 -2.058 1.00 0.00 C ATOM 521 OG SER A 397 -1.278 4.283 -3.308 1.00 0.00 O ATOM 0 H SER A 397 -3.347 2.127 -1.037 1.00 0.00 H new ATOM 0 HA SER A 397 -0.741 2.056 -2.532 1.00 0.00 H new ATOM 0 HB2 SER A 397 -2.917 3.917 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.518 4.576 -1.274 1.00 0.00 H new ATOM 0 HG SER A 397 -1.667 5.141 -3.578 1.00 0.00 H new ATOM 527 N HIS A 398 0.735 2.944 -0.577 1.00 0.00 N ATOM 528 CA HIS A 398 1.658 2.949 0.593 1.00 0.00 C ATOM 529 C HIS A 398 2.468 4.246 0.632 1.00 0.00 C ATOM 530 O HIS A 398 2.626 4.898 -0.378 1.00 0.00 O ATOM 531 CB HIS A 398 2.583 1.748 0.373 1.00 0.00 C ATOM 532 CG HIS A 398 1.780 0.472 0.363 1.00 0.00 C ATOM 533 ND1 HIS A 398 1.390 -0.151 -0.816 1.00 0.00 N ATOM 534 CD2 HIS A 398 1.292 -0.314 1.379 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.698 -1.260 -0.483 1.00 0.00 C ATOM 536 NE2 HIS A 398 0.610 -1.406 0.846 1.00 0.00 N ATOM 0 H HIS A 398 1.123 3.336 -1.435 1.00 0.00 H new ATOM 0 HA HIS A 398 1.120 2.886 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 398 3.117 1.858 -0.571 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.334 1.708 1.162 1.00 0.00 H new ATOM 0 HD1 HIS A 398 1.591 0.172 -1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 398 1.418 -0.115 2.433 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.268 -1.945 -1.199 1.00 0.00 H new ATOM 544 N PRO A 399 2.977 4.587 1.799 1.00 0.00 N ATOM 545 CA PRO A 399 3.796 5.820 1.927 1.00 0.00 C ATOM 546 C PRO A 399 5.039 5.657 1.043 1.00 0.00 C ATOM 547 O PRO A 399 5.592 4.576 0.957 1.00 0.00 O ATOM 548 CB PRO A 399 4.133 5.870 3.420 1.00 0.00 C ATOM 549 CG PRO A 399 4.015 4.453 3.867 1.00 0.00 C ATOM 550 CD PRO A 399 2.871 3.880 3.081 1.00 0.00 C ATOM 0 HA PRO A 399 3.308 6.741 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 399 5.137 6.259 3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 399 3.445 6.518 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 399 4.937 3.903 3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 399 3.824 4.394 4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 399 2.964 2.801 2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 399 1.913 4.064 3.567 1.00 0.00 H new ATOM 558 N GLY A 400 5.454 6.689 0.344 1.00 0.00 N ATOM 559 CA GLY A 400 6.621 6.537 -0.571 1.00 0.00 C ATOM 560 C GLY A 400 6.127 6.302 -2.020 1.00 0.00 C ATOM 561 O GLY A 400 6.926 6.231 -2.935 1.00 0.00 O ATOM 0 H GLY A 400 5.037 7.619 0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.245 7.430 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.241 5.700 -0.248 1.00 0.00 H new ATOM 565 N ASP A 401 4.819 6.203 -2.252 1.00 0.00 N ATOM 566 CA ASP A 401 4.319 6.004 -3.640 1.00 0.00 C ATOM 567 C ASP A 401 3.631 7.295 -4.098 1.00 0.00 C ATOM 568 O ASP A 401 2.923 7.926 -3.336 1.00 0.00 O ATOM 569 CB ASP A 401 3.306 4.855 -3.566 1.00 0.00 C ATOM 570 CG ASP A 401 3.948 3.561 -4.076 1.00 0.00 C ATOM 571 OD1 ASP A 401 4.504 3.588 -5.162 1.00 0.00 O ATOM 572 OD2 ASP A 401 3.869 2.567 -3.373 1.00 0.00 O ATOM 0 H ASP A 401 4.096 6.253 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 401 5.118 5.770 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 401 2.967 4.723 -2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 401 2.426 5.095 -4.163 1.00 0.00 H new ATOM 577 N SER A 402 3.851 7.711 -5.325 1.00 0.00 N ATOM 578 CA SER A 402 3.225 8.995 -5.820 1.00 0.00 C ATOM 579 C SER A 402 1.721 9.107 -5.490 1.00 0.00 C ATOM 580 O SER A 402 1.202 10.207 -5.415 1.00 0.00 O ATOM 581 CB SER A 402 3.419 9.006 -7.343 1.00 0.00 C ATOM 582 OG SER A 402 4.573 9.773 -7.657 1.00 0.00 O ATOM 0 H SER A 402 4.433 7.224 -6.006 1.00 0.00 H new ATOM 0 HA SER A 402 3.702 9.841 -5.325 1.00 0.00 H new ATOM 0 HB2 SER A 402 3.531 7.988 -7.716 1.00 0.00 H new ATOM 0 HB3 SER A 402 2.541 9.429 -7.831 1.00 0.00 H new ATOM 0 HG SER A 402 4.705 9.783 -8.628 1.00 0.00 H new ATOM 588 N ASP A 403 1.001 8.012 -5.317 1.00 0.00 N ATOM 589 CA ASP A 403 -0.465 8.139 -5.027 1.00 0.00 C ATOM 590 C ASP A 403 -0.822 7.835 -3.558 1.00 0.00 C ATOM 591 O ASP A 403 -1.988 7.672 -3.249 1.00 0.00 O ATOM 592 CB ASP A 403 -1.149 7.133 -5.956 1.00 0.00 C ATOM 593 CG ASP A 403 -0.848 7.496 -7.413 1.00 0.00 C ATOM 594 OD1 ASP A 403 -1.311 8.536 -7.851 1.00 0.00 O ATOM 595 OD2 ASP A 403 -0.158 6.728 -8.063 1.00 0.00 O ATOM 0 H ASP A 403 1.360 7.058 -5.364 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.792 9.165 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -0.795 6.125 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -2.225 7.137 -5.784 1.00 0.00 H new ATOM 600 N TYR A 404 0.135 7.754 -2.641 1.00 0.00 N ATOM 601 CA TYR A 404 -0.230 7.460 -1.198 1.00 0.00 C ATOM 602 C TYR A 404 -1.343 8.415 -0.733 1.00 0.00 C ATOM 603 O TYR A 404 -1.303 9.600 -1.008 1.00 0.00 O ATOM 604 CB TYR A 404 1.042 7.689 -0.361 1.00 0.00 C ATOM 605 CG TYR A 404 0.798 7.297 1.083 1.00 0.00 C ATOM 606 CD1 TYR A 404 0.201 6.044 1.397 1.00 0.00 C ATOM 607 CD2 TYR A 404 1.174 8.183 2.130 1.00 0.00 C ATOM 608 CE1 TYR A 404 -0.019 5.679 2.755 1.00 0.00 C ATOM 609 CE2 TYR A 404 0.955 7.818 3.487 1.00 0.00 C ATOM 610 CZ TYR A 404 0.359 6.567 3.799 1.00 0.00 C ATOM 611 OH TYR A 404 0.148 6.213 5.117 1.00 0.00 O ATOM 0 H TYR A 404 1.131 7.876 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.594 6.439 -1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.865 7.103 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.338 8.737 -0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.085 5.369 0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 404 1.627 9.135 1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -0.473 4.728 2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 404 1.242 8.492 4.280 1.00 0.00 H new ATOM 0 HH TYR A 404 -0.815 6.184 5.298 1.00 0.00 H new ATOM 621 N GLY A 405 -2.343 7.904 -0.056 1.00 0.00 N ATOM 622 CA GLY A 405 -3.466 8.777 0.395 1.00 0.00 C ATOM 623 C GLY A 405 -3.180 9.386 1.777 1.00 0.00 C ATOM 624 O GLY A 405 -3.712 10.431 2.106 1.00 0.00 O ATOM 0 H GLY A 405 -2.428 6.921 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -3.623 9.575 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -4.388 8.196 0.435 1.00 0.00 H new ATOM 628 N GLY A 406 -2.368 8.757 2.600 1.00 0.00 N ATOM 629 CA GLY A 406 -2.082 9.311 3.934 1.00 0.00 C ATOM 630 C GLY A 406 -2.615 8.322 4.967 1.00 0.00 C ATOM 631 O GLY A 406 -2.146 7.203 5.064 1.00 0.00 O ATOM 0 H GLY A 406 -1.896 7.878 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -1.010 9.461 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -2.557 10.284 4.055 1.00 0.00 H new ATOM 635 N VAL A 407 -3.571 8.733 5.752 1.00 0.00 N ATOM 636 CA VAL A 407 -4.124 7.826 6.805 1.00 0.00 C ATOM 637 C VAL A 407 -5.632 8.061 7.027 1.00 0.00 C ATOM 638 O VAL A 407 -6.020 8.890 7.828 1.00 0.00 O ATOM 639 CB VAL A 407 -3.331 8.174 8.072 1.00 0.00 C ATOM 640 CG1 VAL A 407 -3.789 7.286 9.232 1.00 0.00 C ATOM 641 CG2 VAL A 407 -1.837 7.942 7.826 1.00 0.00 C ATOM 0 H VAL A 407 -3.996 9.659 5.712 1.00 0.00 H new ATOM 0 HA VAL A 407 -4.027 6.778 6.523 1.00 0.00 H new ATOM 0 HB VAL A 407 -3.505 9.221 8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -3.222 7.538 10.129 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -4.851 7.448 9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -3.620 6.240 8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -1.277 8.190 8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -1.668 6.896 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -1.501 8.575 7.005 1.00 0.00 H new ATOM 651 N GLN A 408 -6.484 7.320 6.345 1.00 0.00 N ATOM 652 CA GLN A 408 -7.965 7.487 6.552 1.00 0.00 C ATOM 653 C GLN A 408 -8.710 6.193 6.159 1.00 0.00 C ATOM 654 O GLN A 408 -9.135 6.033 5.029 1.00 0.00 O ATOM 655 CB GLN A 408 -8.387 8.655 5.650 1.00 0.00 C ATOM 656 CG GLN A 408 -8.025 8.357 4.189 1.00 0.00 C ATOM 657 CD GLN A 408 -7.214 9.519 3.610 1.00 0.00 C ATOM 658 OE1 GLN A 408 -7.707 10.626 3.516 1.00 0.00 O ATOM 659 NE2 GLN A 408 -5.983 9.321 3.213 1.00 0.00 N ATOM 0 H GLN A 408 -6.220 6.613 5.659 1.00 0.00 H new ATOM 0 HA GLN A 408 -8.207 7.687 7.596 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -9.460 8.823 5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -7.893 9.571 5.975 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -7.449 7.433 4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -8.932 8.206 3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -5.565 8.394 3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -5.441 10.094 2.827 1.00 0.00 H new ATOM 668 N ILE A 409 -8.870 5.262 7.080 1.00 0.00 N ATOM 669 CA ILE A 409 -9.582 3.986 6.734 1.00 0.00 C ATOM 670 C ILE A 409 -11.036 4.037 7.229 1.00 0.00 C ATOM 671 O ILE A 409 -11.411 3.329 8.144 1.00 0.00 O ATOM 672 CB ILE A 409 -8.807 2.863 7.440 1.00 0.00 C ATOM 673 CG1 ILE A 409 -7.344 2.872 6.979 1.00 0.00 C ATOM 674 CG2 ILE A 409 -9.435 1.509 7.095 1.00 0.00 C ATOM 675 CD1 ILE A 409 -6.484 2.137 8.006 1.00 0.00 C ATOM 0 H ILE A 409 -8.542 5.331 8.043 1.00 0.00 H new ATOM 0 HA ILE A 409 -9.617 3.824 5.657 1.00 0.00 H new ATOM 0 HB ILE A 409 -8.850 3.024 8.517 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -7.255 2.392 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -6.994 3.898 6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -8.884 0.714 7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -10.474 1.495 7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -9.395 1.354 6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -5.444 2.142 7.680 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -6.564 2.636 8.972 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -6.830 1.107 8.100 1.00 0.00 H new ATOM 687 N VAL A 410 -11.860 4.858 6.616 1.00 0.00 N ATOM 688 CA VAL A 410 -13.293 4.941 7.033 1.00 0.00 C ATOM 689 C VAL A 410 -14.177 4.557 5.838 1.00 0.00 C ATOM 690 O VAL A 410 -14.771 5.407 5.204 1.00 0.00 O ATOM 691 CB VAL A 410 -13.517 6.403 7.428 1.00 0.00 C ATOM 692 CG1 VAL A 410 -14.964 6.593 7.891 1.00 0.00 C ATOM 693 CG2 VAL A 410 -12.569 6.778 8.570 1.00 0.00 C ATOM 0 H VAL A 410 -11.599 5.473 5.845 1.00 0.00 H new ATOM 0 HA VAL A 410 -13.537 4.271 7.858 1.00 0.00 H new ATOM 0 HB VAL A 410 -13.321 7.042 6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -15.122 7.634 8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -15.643 6.329 7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -15.158 5.952 8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -12.730 7.819 8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -12.764 6.137 9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -11.537 6.645 8.245 1.00 0.00 H new ATOM 703 N GLY A 411 -14.244 3.283 5.508 1.00 0.00 N ATOM 704 CA GLY A 411 -15.061 2.856 4.336 1.00 0.00 C ATOM 705 C GLY A 411 -14.152 2.835 3.101 1.00 0.00 C ATOM 706 O GLY A 411 -14.413 3.502 2.119 1.00 0.00 O ATOM 0 H GLY A 411 -13.767 2.529 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -15.489 1.869 4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -15.894 3.542 4.183 1.00 0.00 H new ATOM 710 N GLN A 412 -13.069 2.080 3.151 1.00 0.00 N ATOM 711 CA GLN A 412 -12.120 2.025 1.977 1.00 0.00 C ATOM 712 C GLN A 412 -12.888 1.744 0.672 1.00 0.00 C ATOM 713 O GLN A 412 -12.915 2.569 -0.223 1.00 0.00 O ATOM 714 CB GLN A 412 -11.135 0.876 2.259 1.00 0.00 C ATOM 715 CG GLN A 412 -10.259 1.232 3.465 1.00 0.00 C ATOM 716 CD GLN A 412 -9.991 -0.031 4.294 1.00 0.00 C ATOM 717 OE1 GLN A 412 -8.922 -0.603 4.212 1.00 0.00 O ATOM 718 NE2 GLN A 412 -10.918 -0.499 5.097 1.00 0.00 N ATOM 0 H GLN A 412 -12.802 1.503 3.948 1.00 0.00 H new ATOM 0 HA GLN A 412 -11.601 2.976 1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -11.683 -0.046 2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -10.510 0.696 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -9.317 1.665 3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -10.755 1.984 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -11.817 -0.023 5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -10.739 -1.339 5.648 1.00 0.00 H new ATOM 727 N ASP A 413 -13.518 0.591 0.558 1.00 0.00 N ATOM 728 CA ASP A 413 -14.285 0.275 -0.686 1.00 0.00 C ATOM 729 C ASP A 413 -15.495 -0.619 -0.367 1.00 0.00 C ATOM 730 O ASP A 413 -15.863 -1.469 -1.157 1.00 0.00 O ATOM 731 CB ASP A 413 -13.293 -0.468 -1.581 1.00 0.00 C ATOM 732 CG ASP A 413 -12.504 0.540 -2.419 1.00 0.00 C ATOM 733 OD1 ASP A 413 -13.107 1.491 -2.887 1.00 0.00 O ATOM 734 OD2 ASP A 413 -11.310 0.343 -2.577 1.00 0.00 O ATOM 0 H ASP A 413 -13.531 -0.137 1.272 1.00 0.00 H new ATOM 0 HA ASP A 413 -14.678 1.173 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -12.612 -1.062 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -13.824 -1.161 -2.233 1.00 0.00 H new ATOM 739 N GLU A 414 -16.127 -0.443 0.783 1.00 0.00 N ATOM 740 CA GLU A 414 -17.313 -1.290 1.139 1.00 0.00 C ATOM 741 C GLU A 414 -16.981 -2.786 0.994 1.00 0.00 C ATOM 742 O GLU A 414 -17.652 -3.508 0.281 1.00 0.00 O ATOM 743 CB GLU A 414 -18.412 -0.882 0.151 1.00 0.00 C ATOM 744 CG GLU A 414 -18.761 0.593 0.356 1.00 0.00 C ATOM 745 CD GLU A 414 -19.895 0.713 1.376 1.00 0.00 C ATOM 746 OE1 GLU A 414 -19.612 0.633 2.559 1.00 0.00 O ATOM 747 OE2 GLU A 414 -21.028 0.883 0.954 1.00 0.00 O ATOM 0 H GLU A 414 -15.868 0.251 1.484 1.00 0.00 H new ATOM 0 HA GLU A 414 -17.620 -1.140 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -18.076 -1.048 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -19.297 -1.500 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -17.885 1.140 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -19.061 1.042 -0.591 1.00 0.00 H new ATOM 754 N THR A 415 -15.954 -3.259 1.671 1.00 0.00 N ATOM 755 CA THR A 415 -15.597 -4.707 1.569 1.00 0.00 C ATOM 756 C THR A 415 -15.514 -5.332 2.969 1.00 0.00 C ATOM 757 O THR A 415 -14.462 -5.770 3.396 1.00 0.00 O ATOM 758 CB THR A 415 -14.233 -4.755 0.868 1.00 0.00 C ATOM 759 OG1 THR A 415 -13.813 -6.107 0.759 1.00 0.00 O ATOM 760 CG2 THR A 415 -13.194 -3.963 1.669 1.00 0.00 C ATOM 0 H THR A 415 -15.355 -2.706 2.284 1.00 0.00 H new ATOM 0 HA THR A 415 -16.346 -5.271 1.013 1.00 0.00 H new ATOM 0 HB THR A 415 -14.326 -4.311 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 415 -13.730 -6.497 1.654 1.00 0.00 H new ATOM 0 HG21 THR A 415 -12.231 -4.006 1.159 1.00 0.00 H new ATOM 0 HG22 THR A 415 -13.514 -2.924 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 415 -13.097 -4.394 2.665 1.00 0.00 H new ATOM 768 N ASP A 416 -16.618 -5.387 3.686 1.00 0.00 N ATOM 769 CA ASP A 416 -16.589 -6.000 5.052 1.00 0.00 C ATOM 770 C ASP A 416 -17.199 -7.409 5.007 1.00 0.00 C ATOM 771 O ASP A 416 -17.915 -7.805 5.909 1.00 0.00 O ATOM 772 CB ASP A 416 -17.431 -5.077 5.941 1.00 0.00 C ATOM 773 CG ASP A 416 -16.522 -4.051 6.619 1.00 0.00 C ATOM 774 OD1 ASP A 416 -15.678 -3.493 5.936 1.00 0.00 O ATOM 775 OD2 ASP A 416 -16.684 -3.839 7.810 1.00 0.00 O ATOM 0 H ASP A 416 -17.527 -5.037 3.385 1.00 0.00 H new ATOM 0 HA ASP A 416 -15.572 -6.099 5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -18.187 -4.569 5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -17.960 -5.663 6.693 1.00 0.00 H new ATOM 780 N ASP A 417 -16.924 -8.174 3.967 1.00 0.00 N ATOM 781 CA ASP A 417 -17.494 -9.552 3.880 1.00 0.00 C ATOM 782 C ASP A 417 -16.370 -10.592 3.892 1.00 0.00 C ATOM 783 O ASP A 417 -16.481 -11.547 4.642 1.00 0.00 O ATOM 784 CB ASP A 417 -18.243 -9.588 2.548 1.00 0.00 C ATOM 785 CG ASP A 417 -19.502 -8.724 2.646 1.00 0.00 C ATOM 786 OD1 ASP A 417 -19.447 -7.705 3.315 1.00 0.00 O ATOM 787 OD2 ASP A 417 -20.499 -9.096 2.050 1.00 0.00 O ATOM 0 H ASP A 417 -16.332 -7.899 3.183 1.00 0.00 H new ATOM 0 HA ASP A 417 -18.148 -9.782 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -17.600 -9.223 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -18.512 -10.614 2.298 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.324 -2.894 1.951 1.00 0.00 ZN