USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 692 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 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= -0.0196 X(o=-0.041,f=0) USER MOD Set 2.2: A 77 LYS NZ :NH3+ 180:sc= -0.0211 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0298 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.621 K(o=0.62,f=-2.4!) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0.647 (180deg=0.646) USER MOD Single : A 23 ASN : amide:sc= 0.716 K(o=0.72,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 37 THR OG1 : rot -13:sc= 0.396 USER MOD Single : A 46 TYR OH : rot 15:sc= -0.0167 USER MOD Single : A 47 SER OG : rot 134:sc= 1.15 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0.393 K(o=0.39,f=-1.4) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.905 K(o=0.9,f=-7.5!) USER MOD Single : A 67 THR OG1 : rot 84:sc= 1.3 USER MOD Single : A 68 ASN : amide:sc= 0.0688 K(o=0.069,f=-2.8!) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 1.17 (180deg=0.974) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.6 F(o=-0.24,f=0.6) USER MOD Single : A 95 TYR OH : rot 27:sc= 1.29 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 -0.146 -1.418 -4.355 1.00 0.00 N ATOM 30 CA ASP A 3 -0.723 -1.670 -5.702 1.00 0.00 C ATOM 31 C ASP A 3 -2.281 -1.446 -5.699 1.00 0.00 C ATOM 32 O ASP A 3 -2.979 -2.226 -5.038 1.00 0.00 O ATOM 33 CB ASP A 3 -0.321 -3.120 -6.087 1.00 0.00 C ATOM 34 CG ASP A 3 -0.676 -3.512 -7.519 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.789 -3.899 -7.861 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.373 -3.365 -8.374 1.00 0.00 O ATOM 0 HA ASP A 3 -0.337 -0.971 -6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.754 -3.236 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.808 -3.814 -5.402 1.00 0.00 H new ATOM 41 N PRO A 4 -2.883 -0.470 -6.445 1.00 0.00 N ATOM 42 CA PRO A 4 -4.363 -0.294 -6.485 1.00 0.00 C ATOM 43 C PRO A 4 -5.221 -1.344 -7.267 1.00 0.00 C ATOM 44 O PRO A 4 -6.397 -1.508 -6.934 1.00 0.00 O ATOM 45 CB PRO A 4 -4.515 1.148 -6.997 1.00 0.00 C ATOM 46 CG PRO A 4 -3.222 1.521 -7.712 1.00 0.00 C ATOM 47 CD PRO A 4 -2.145 0.558 -7.204 1.00 0.00 C ATOM 0 HA PRO A 4 -4.787 -0.477 -5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.364 1.226 -7.676 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.705 1.831 -6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.339 1.436 -8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.948 2.555 -7.501 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.589 0.116 -8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.421 1.072 -6.572 1.00 0.00 H new ATOM 55 N ALA A 5 -4.665 -2.087 -8.244 1.00 0.00 N ATOM 56 CA ALA A 5 -5.324 -3.298 -8.816 1.00 0.00 C ATOM 57 C ALA A 5 -5.528 -4.481 -7.806 1.00 0.00 C ATOM 58 O ALA A 5 -6.654 -4.968 -7.664 1.00 0.00 O ATOM 59 CB ALA A 5 -4.537 -3.704 -10.076 1.00 0.00 C ATOM 0 H ALA A 5 -3.758 -1.876 -8.661 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.351 -3.040 -9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.993 -4.589 -10.521 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.555 -2.886 -10.796 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.505 -3.926 -9.805 1.00 0.00 H new ATOM 65 N ALA A 6 -4.489 -4.879 -7.042 1.00 0.00 N ATOM 66 CA ALA A 6 -4.672 -5.675 -5.794 1.00 0.00 C ATOM 67 C ALA A 6 -5.537 -5.008 -4.664 1.00 0.00 C ATOM 68 O ALA A 6 -6.328 -5.699 -4.019 1.00 0.00 O ATOM 69 CB ALA A 6 -3.265 -6.053 -5.299 1.00 0.00 C ATOM 0 H ALA A 6 -3.515 -4.667 -7.260 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.270 -6.551 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.347 -6.639 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.757 -6.642 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.694 -5.146 -5.100 1.00 0.00 H new ATOM 75 N GLY A 7 -5.444 -3.679 -4.460 1.00 0.00 N ATOM 76 CA GLY A 7 -6.414 -2.905 -3.637 1.00 0.00 C ATOM 77 C GLY A 7 -7.917 -2.971 -3.986 1.00 0.00 C ATOM 78 O GLY A 7 -8.728 -3.091 -3.070 1.00 0.00 O ATOM 0 H GLY A 7 -4.699 -3.107 -4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.302 -3.232 -2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.114 -1.858 -3.674 1.00 0.00 H new ATOM 82 N GLU A 8 -8.291 -2.948 -5.277 1.00 0.00 N ATOM 83 CA GLU A 8 -9.655 -3.351 -5.739 1.00 0.00 C ATOM 84 C GLU A 8 -10.136 -4.785 -5.327 1.00 0.00 C ATOM 85 O GLU A 8 -11.307 -4.947 -4.972 1.00 0.00 O ATOM 86 CB GLU A 8 -9.720 -3.165 -7.280 1.00 0.00 C ATOM 87 CG GLU A 8 -11.092 -3.415 -7.969 1.00 0.00 C ATOM 88 CD GLU A 8 -12.268 -2.581 -7.461 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.810 -3.082 -6.307 1.00 0.00 O ATOM 90 OE2 GLU A 8 -12.663 -1.564 -8.027 1.00 0.00 O ATOM 0 H GLU A 8 -7.672 -2.654 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.355 -2.698 -5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.407 -2.147 -7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.988 -3.834 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.977 -3.229 -9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.345 -4.469 -7.854 1.00 0.00 H new ATOM 97 N LYS A 9 -9.251 -5.794 -5.394 1.00 0.00 N ATOM 98 CA LYS A 9 -9.486 -7.148 -4.806 1.00 0.00 C ATOM 99 C LYS A 9 -9.688 -7.151 -3.249 1.00 0.00 C ATOM 100 O LYS A 9 -10.673 -7.719 -2.771 1.00 0.00 O ATOM 101 CB LYS A 9 -8.353 -8.127 -5.232 1.00 0.00 C ATOM 102 CG LYS A 9 -8.076 -8.252 -6.750 1.00 0.00 C ATOM 103 CD LYS A 9 -7.005 -9.309 -7.075 1.00 0.00 C ATOM 104 CE LYS A 9 -6.660 -9.333 -8.572 1.00 0.00 C ATOM 105 NZ LYS A 9 -5.617 -10.345 -8.832 1.00 0.00 N ATOM 0 H LYS A 9 -8.346 -5.706 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.436 -7.493 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.431 -7.814 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.597 -9.118 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.002 -8.510 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.755 -7.285 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.104 -9.102 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.361 -10.293 -6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.552 -9.559 -9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.312 -8.350 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.389 -10.356 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.763 -10.111 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.964 -11.283 -8.545 1.00 0.00 H new ATOM 118 N VAL A 10 -8.817 -6.474 -2.465 1.00 0.00 N ATOM 119 CA VAL A 10 -9.056 -6.203 -1.005 1.00 0.00 C ATOM 120 C VAL A 10 -10.370 -5.377 -0.713 1.00 0.00 C ATOM 121 O VAL A 10 -11.107 -5.726 0.215 1.00 0.00 O ATOM 122 CB VAL A 10 -7.783 -5.589 -0.309 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.924 -5.492 1.231 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.459 -6.354 -0.558 1.00 0.00 C ATOM 0 H VAL A 10 -7.934 -6.098 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.235 -7.176 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.730 -4.606 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.016 -5.062 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.775 -4.858 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.080 -6.488 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.645 -5.851 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.553 -7.374 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.247 -6.376 -1.627 1.00 0.00 H new ATOM 134 N PHE A 11 -10.707 -4.348 -1.521 1.00 0.00 N ATOM 135 CA PHE A 11 -12.049 -3.688 -1.514 1.00 0.00 C ATOM 136 C PHE A 11 -13.308 -4.610 -1.745 1.00 0.00 C ATOM 137 O PHE A 11 -14.401 -4.229 -1.323 1.00 0.00 O ATOM 138 CB PHE A 11 -11.992 -2.482 -2.501 1.00 0.00 C ATOM 139 CG PHE A 11 -13.029 -1.376 -2.231 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.313 -1.458 -2.779 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.708 -0.295 -1.403 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.279 -0.510 -2.451 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.669 0.664 -1.096 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.960 0.543 -1.600 1.00 0.00 C ATOM 0 H PHE A 11 -10.062 -3.945 -2.200 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.226 -3.358 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.995 -2.044 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.134 -2.854 -3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.557 -2.260 -3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.710 -0.204 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.276 -0.592 -2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.412 1.503 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.715 1.267 -1.330 1.00 0.00 H new ATOM 154 N GLY A 12 -13.173 -5.836 -2.298 1.00 0.00 N ATOM 155 CA GLY A 12 -14.162 -6.940 -2.103 1.00 0.00 C ATOM 156 C GLY A 12 -14.754 -7.190 -0.686 1.00 0.00 C ATOM 157 O GLY A 12 -15.959 -7.405 -0.553 1.00 0.00 O ATOM 0 H GLY A 12 -12.384 -6.095 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.997 -6.755 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.688 -7.866 -2.428 1.00 0.00 H new ATOM 161 N LYS A 13 -13.919 -7.103 0.364 1.00 0.00 N ATOM 162 CA LYS A 13 -14.389 -7.006 1.781 1.00 0.00 C ATOM 163 C LYS A 13 -15.223 -5.734 2.168 1.00 0.00 C ATOM 164 O LYS A 13 -16.150 -5.825 2.976 1.00 0.00 O ATOM 165 CB LYS A 13 -13.152 -7.133 2.717 1.00 0.00 C ATOM 166 CG LYS A 13 -12.438 -8.505 2.728 1.00 0.00 C ATOM 167 CD LYS A 13 -11.112 -8.460 3.516 1.00 0.00 C ATOM 168 CE LYS A 13 -10.341 -9.790 3.564 1.00 0.00 C ATOM 169 NZ LYS A 13 -10.974 -10.755 4.486 1.00 0.00 N ATOM 0 H LYS A 13 -12.903 -7.097 0.269 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.100 -7.823 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.426 -6.372 2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.468 -6.904 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.097 -9.253 3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.240 -8.819 1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.469 -7.700 3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.324 -8.143 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.294 -10.220 2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.314 -9.604 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.427 -11.639 4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.996 -10.355 5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.945 -10.951 4.170 1.00 0.00 H new ATOM 182 N CYS A 14 -14.871 -4.564 1.621 1.00 0.00 N ATOM 183 CA CYS A 14 -15.554 -3.274 1.909 1.00 0.00 C ATOM 184 C CYS A 14 -16.872 -3.003 1.102 1.00 0.00 C ATOM 185 O CYS A 14 -17.837 -2.502 1.685 1.00 0.00 O ATOM 186 CB CYS A 14 -14.524 -2.128 1.733 1.00 0.00 C ATOM 187 SG CYS A 14 -12.819 -2.539 2.232 1.00 0.00 S ATOM 0 H CYS A 14 -14.100 -4.474 0.960 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.909 -3.330 2.938 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.517 -1.824 0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.858 -1.267 2.312 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.050 -1.509 2.038 1.00 0.00 H new ATOM 192 N LYS A 15 -16.923 -3.324 -0.212 1.00 0.00 N ATOM 193 CA LYS A 15 -18.095 -3.048 -1.103 1.00 0.00 C ATOM 194 C LYS A 15 -19.516 -3.566 -0.702 1.00 0.00 C ATOM 195 O LYS A 15 -20.507 -2.914 -1.041 1.00 0.00 O ATOM 196 CB LYS A 15 -17.740 -3.424 -2.570 1.00 0.00 C ATOM 197 CG LYS A 15 -17.513 -4.922 -2.895 1.00 0.00 C ATOM 198 CD LYS A 15 -17.230 -5.229 -4.382 1.00 0.00 C ATOM 199 CE LYS A 15 -15.916 -4.640 -4.929 1.00 0.00 C ATOM 200 NZ LYS A 15 -15.658 -5.132 -6.295 1.00 0.00 N ATOM 0 H LYS A 15 -16.152 -3.785 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.240 -1.976 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.541 -3.059 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.837 -2.880 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.676 -5.286 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.394 -5.484 -2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.210 -6.310 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.058 -4.849 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.973 -3.551 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.088 -4.914 -4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.769 -4.725 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.583 -6.169 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.440 -4.849 -6.919 1.00 0.00 H new ATOM 213 N ALA A 16 -19.630 -4.693 0.026 1.00 0.00 N ATOM 214 CA ALA A 16 -20.911 -5.118 0.661 1.00 0.00 C ATOM 215 C ALA A 16 -21.578 -4.114 1.667 1.00 0.00 C ATOM 216 O ALA A 16 -22.806 -4.001 1.684 1.00 0.00 O ATOM 217 CB ALA A 16 -20.636 -6.489 1.310 1.00 0.00 C ATOM 0 H ALA A 16 -18.854 -5.333 0.194 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.666 -5.161 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.543 -6.852 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.325 -7.199 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.845 -6.388 2.053 1.00 0.00 H new ATOM 223 N CYS A 17 -20.784 -3.389 2.478 1.00 0.00 N ATOM 224 CA CYS A 17 -21.283 -2.275 3.326 1.00 0.00 C ATOM 225 C CYS A 17 -21.098 -0.835 2.722 1.00 0.00 C ATOM 226 O CYS A 17 -22.009 -0.010 2.843 1.00 0.00 O ATOM 227 CB CYS A 17 -20.585 -2.410 4.695 1.00 0.00 C ATOM 228 SG CYS A 17 -20.747 -4.082 5.401 1.00 0.00 S ATOM 0 H CYS A 17 -19.781 -3.553 2.568 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.366 -2.369 3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.528 -2.166 4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -21.009 -1.684 5.388 1.00 0.00 H new ATOM 0 HG CYS A 17 -20.138 -4.129 6.548 1.00 0.00 H new ATOM 233 N HIS A 18 -19.925 -0.517 2.136 1.00 0.00 N ATOM 234 CA HIS A 18 -19.523 0.856 1.736 1.00 0.00 C ATOM 235 C HIS A 18 -19.588 1.053 0.189 1.00 0.00 C ATOM 236 O HIS A 18 -19.034 0.277 -0.595 1.00 0.00 O ATOM 237 CB HIS A 18 -18.065 1.090 2.210 1.00 0.00 C ATOM 238 CG HIS A 18 -17.876 1.344 3.702 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.815 2.605 4.244 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.518 0.390 4.665 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.361 2.322 5.493 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.213 0.996 5.895 1.00 0.00 N ATOM 0 H HIS A 18 -19.215 -1.217 1.922 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.212 1.566 2.193 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.470 0.220 1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.659 1.941 1.663 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.047 3.505 3.824 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.481 -0.674 4.484 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.115 3.124 6.173 1.00 0.00 H new ATOM 250 N LYS A 19 -20.216 2.154 -0.235 1.00 0.00 N ATOM 251 CA LYS A 19 -20.514 2.420 -1.670 1.00 0.00 C ATOM 252 C LYS A 19 -19.512 3.460 -2.257 1.00 0.00 C ATOM 253 O LYS A 19 -19.378 4.576 -1.745 1.00 0.00 O ATOM 254 CB LYS A 19 -21.982 2.916 -1.850 1.00 0.00 C ATOM 255 CG LYS A 19 -23.134 1.955 -1.451 1.00 0.00 C ATOM 256 CD LYS A 19 -23.498 1.996 0.048 1.00 0.00 C ATOM 257 CE LYS A 19 -24.595 0.996 0.439 1.00 0.00 C ATOM 258 NZ LYS A 19 -24.668 0.948 1.909 1.00 0.00 N ATOM 0 H LYS A 19 -20.536 2.891 0.393 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.400 1.484 -2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.097 3.833 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.118 3.182 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -24.019 2.204 -2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.852 0.936 -1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.604 1.791 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.826 3.003 0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.554 1.300 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -24.370 0.008 0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -25.418 0.288 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.756 0.625 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -24.881 1.897 2.277 1.00 0.00 H new ATOM 271 N LEU A 20 -18.854 3.130 -3.380 1.00 0.00 N ATOM 272 CA LEU A 20 -18.048 4.126 -4.158 1.00 0.00 C ATOM 273 C LEU A 20 -18.870 5.221 -4.916 1.00 0.00 C ATOM 274 O LEU A 20 -18.385 6.347 -5.045 1.00 0.00 O ATOM 275 CB LEU A 20 -17.082 3.386 -5.123 1.00 0.00 C ATOM 276 CG LEU A 20 -15.957 2.552 -4.459 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.265 1.666 -5.501 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.904 3.428 -3.753 1.00 0.00 C ATOM 0 H LEU A 20 -18.855 2.192 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.487 4.688 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.672 2.723 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.620 4.125 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.435 1.934 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.477 1.086 -5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.995 0.989 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.830 2.292 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.141 2.791 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.440 4.095 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.385 4.019 -2.973 1.00 0.00 H new ATOM 290 N ASP A 21 -20.108 4.955 -5.378 1.00 0.00 N ATOM 291 CA ASP A 21 -20.963 5.990 -6.040 1.00 0.00 C ATOM 292 C ASP A 21 -21.681 6.962 -5.029 1.00 0.00 C ATOM 293 O ASP A 21 -22.906 7.103 -5.038 1.00 0.00 O ATOM 294 CB ASP A 21 -21.946 5.264 -7.003 1.00 0.00 C ATOM 295 CG ASP A 21 -21.306 4.590 -8.218 1.00 0.00 C ATOM 296 OD1 ASP A 21 -20.988 5.187 -9.240 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.125 3.253 -8.034 1.00 0.00 O ATOM 0 H ASP A 21 -20.548 4.037 -5.310 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.324 6.660 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.490 4.509 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.680 5.988 -7.357 1.00 0.00 H new ATOM 302 N GLY A 22 -20.902 7.650 -4.169 1.00 0.00 N ATOM 303 CA GLY A 22 -21.400 8.710 -3.240 1.00 0.00 C ATOM 304 C GLY A 22 -22.609 8.464 -2.293 1.00 0.00 C ATOM 305 O GLY A 22 -23.348 9.411 -2.024 1.00 0.00 O ATOM 0 H GLY A 22 -19.897 7.491 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.559 8.998 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.650 9.576 -3.853 1.00 0.00 H new ATOM 309 N ASN A 23 -22.811 7.234 -1.791 1.00 0.00 N ATOM 310 CA ASN A 23 -24.009 6.864 -0.978 1.00 0.00 C ATOM 311 C ASN A 23 -23.629 6.213 0.392 1.00 0.00 C ATOM 312 O ASN A 23 -22.708 5.398 0.497 1.00 0.00 O ATOM 313 CB ASN A 23 -24.904 5.898 -1.812 1.00 0.00 C ATOM 314 CG ASN A 23 -25.902 6.589 -2.746 1.00 0.00 C ATOM 315 OD1 ASN A 23 -27.023 6.899 -2.364 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.561 6.855 -3.982 1.00 0.00 N ATOM 0 H ASN A 23 -22.158 6.463 -1.930 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.554 7.778 -0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.259 5.251 -2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.456 5.254 -1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -26.225 7.312 -4.607 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.632 6.605 -4.320 1.00 0.00 H new ATOM 323 N ASP A 24 -24.408 6.530 1.440 1.00 0.00 N ATOM 324 CA ASP A 24 -24.335 5.843 2.758 1.00 0.00 C ATOM 325 C ASP A 24 -25.576 4.931 3.042 1.00 0.00 C ATOM 326 O ASP A 24 -26.681 5.164 2.542 1.00 0.00 O ATOM 327 CB ASP A 24 -24.066 6.909 3.850 1.00 0.00 C ATOM 328 CG ASP A 24 -25.140 7.958 4.148 1.00 0.00 C ATOM 329 OD1 ASP A 24 -26.017 7.541 5.104 1.00 0.00 O ATOM 330 OD2 ASP A 24 -25.170 9.068 3.627 1.00 0.00 O ATOM 0 H ASP A 24 -25.110 7.270 1.406 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.504 5.137 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.856 6.381 4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -23.156 7.441 3.573 1.00 0.00 H new ATOM 335 N GLY A 25 -25.379 3.893 3.867 1.00 0.00 N ATOM 336 CA GLY A 25 -26.479 2.963 4.250 1.00 0.00 C ATOM 337 C GLY A 25 -26.115 2.077 5.447 1.00 0.00 C ATOM 338 O GLY A 25 -26.402 2.423 6.593 1.00 0.00 O ATOM 0 H GLY A 25 -24.477 3.667 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.371 3.541 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.728 2.331 3.398 1.00 0.00 H new ATOM 342 N VAL A 26 -25.433 0.960 5.169 1.00 0.00 N ATOM 343 CA VAL A 26 -24.678 0.193 6.214 1.00 0.00 C ATOM 344 C VAL A 26 -23.328 0.925 6.536 1.00 0.00 C ATOM 345 O VAL A 26 -23.156 1.393 7.661 1.00 0.00 O ATOM 346 CB VAL A 26 -24.502 -1.327 5.853 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.812 -2.140 6.977 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.820 -2.063 5.516 1.00 0.00 C ATOM 0 H VAL A 26 -25.377 0.553 4.235 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.272 0.179 7.128 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.875 -1.286 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.719 -3.181 6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.821 -1.728 7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.410 -2.083 7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.605 -3.105 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.492 -2.017 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -26.294 -1.587 4.658 1.00 0.00 H new ATOM 358 N GLY A 27 -22.397 1.041 5.570 1.00 0.00 N ATOM 359 CA GLY A 27 -21.166 1.852 5.723 1.00 0.00 C ATOM 360 C GLY A 27 -21.191 3.212 4.961 1.00 0.00 C ATOM 361 O GLY A 27 -21.664 3.241 3.818 1.00 0.00 O ATOM 0 H GLY A 27 -22.473 0.579 4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.003 2.046 6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.315 1.268 5.372 1.00 0.00 H new ATOM 365 N PRO A 28 -20.654 4.347 5.499 1.00 0.00 N ATOM 366 CA PRO A 28 -20.586 5.638 4.764 1.00 0.00 C ATOM 367 C PRO A 28 -19.488 5.690 3.654 1.00 0.00 C ATOM 368 O PRO A 28 -18.305 5.452 3.921 1.00 0.00 O ATOM 369 CB PRO A 28 -20.359 6.645 5.907 1.00 0.00 C ATOM 370 CG PRO A 28 -19.630 5.862 6.998 1.00 0.00 C ATOM 371 CD PRO A 28 -20.174 4.443 6.889 1.00 0.00 C ATOM 0 HA PRO A 28 -21.483 5.840 4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.765 7.495 5.570 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -21.305 7.043 6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.551 5.884 6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.823 6.285 7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.401 3.703 7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.980 4.269 7.602 1.00 0.00 H new ATOM 379 N HIS A 29 -19.911 6.010 2.420 1.00 0.00 N ATOM 380 CA HIS A 29 -19.079 6.001 1.177 1.00 0.00 C ATOM 381 C HIS A 29 -17.527 6.189 1.253 1.00 0.00 C ATOM 382 O HIS A 29 -17.034 7.187 1.786 1.00 0.00 O ATOM 383 CB HIS A 29 -19.703 6.992 0.151 1.00 0.00 C ATOM 384 CG HIS A 29 -19.864 8.465 0.543 1.00 0.00 C ATOM 385 ND1 HIS A 29 -21.005 8.973 1.150 1.00 0.00 N ATOM 386 CD2 HIS A 29 -18.963 9.495 0.234 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.678 10.304 1.144 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.473 10.714 0.639 1.00 0.00 N ATOM 0 H HIS A 29 -20.874 6.294 2.240 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.126 4.955 0.874 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.094 6.957 -0.752 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -20.690 6.613 -0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.008 9.355 -0.251 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.372 11.031 1.538 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -19.069 11.649 0.579 1.00 0.00 H new ATOM 396 N LEU A 30 -16.762 5.234 0.696 1.00 0.00 N ATOM 397 CA LEU A 30 -15.264 5.316 0.663 1.00 0.00 C ATOM 398 C LEU A 30 -14.610 6.072 -0.546 1.00 0.00 C ATOM 399 O LEU A 30 -13.391 6.263 -0.550 1.00 0.00 O ATOM 400 CB LEU A 30 -14.679 3.890 0.851 1.00 0.00 C ATOM 401 CG LEU A 30 -14.926 3.225 2.229 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.548 1.739 2.202 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.200 3.912 3.396 1.00 0.00 C ATOM 0 H LEU A 30 -17.141 4.393 0.260 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.993 5.967 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.097 3.244 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.603 3.936 0.681 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.995 3.338 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.732 1.299 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.151 1.224 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.492 1.637 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.425 3.386 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.125 3.891 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.535 4.946 3.475 1.00 0.00 H new ATOM 415 N ASN A 31 -15.398 6.573 -1.513 1.00 0.00 N ATOM 416 CA ASN A 31 -14.940 7.582 -2.501 1.00 0.00 C ATOM 417 C ASN A 31 -14.840 8.989 -1.824 1.00 0.00 C ATOM 418 O ASN A 31 -15.836 9.533 -1.336 1.00 0.00 O ATOM 419 CB ASN A 31 -15.941 7.522 -3.677 1.00 0.00 C ATOM 420 CG ASN A 31 -15.599 8.395 -4.883 1.00 0.00 C ATOM 421 OD1 ASN A 31 -14.510 8.331 -5.442 1.00 0.00 O ATOM 422 ND2 ASN A 31 -16.521 9.208 -5.336 1.00 0.00 N ATOM 0 H ASN A 31 -16.371 6.294 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.938 7.379 -2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.019 6.487 -4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.925 7.813 -3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.333 9.788 -6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.427 9.261 -4.871 1.00 0.00 H new ATOM 429 N GLY A 32 -13.617 9.523 -1.726 1.00 0.00 N ATOM 430 CA GLY A 32 -13.326 10.692 -0.851 1.00 0.00 C ATOM 431 C GLY A 32 -13.186 10.411 0.663 1.00 0.00 C ATOM 432 O GLY A 32 -13.710 11.181 1.470 1.00 0.00 O ATOM 0 H GLY A 32 -12.806 9.173 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.402 11.154 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.120 11.426 -0.988 1.00 0.00 H new ATOM 436 N VAL A 33 -12.477 9.337 1.051 1.00 0.00 N ATOM 437 CA VAL A 33 -12.132 9.050 2.483 1.00 0.00 C ATOM 438 C VAL A 33 -10.726 9.566 2.948 1.00 0.00 C ATOM 439 O VAL A 33 -10.609 10.005 4.095 1.00 0.00 O ATOM 440 CB VAL A 33 -12.406 7.545 2.823 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.416 6.534 2.199 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.494 7.287 4.345 1.00 0.00 C ATOM 0 H VAL A 33 -12.122 8.639 0.398 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.807 9.654 3.088 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.375 7.366 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.694 5.523 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.449 6.616 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.406 6.750 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.685 6.229 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.554 7.571 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.306 7.879 4.768 1.00 0.00 H new ATOM 452 N VAL A 34 -9.663 9.501 2.118 1.00 0.00 N ATOM 453 CA VAL A 34 -8.270 9.847 2.544 1.00 0.00 C ATOM 454 C VAL A 34 -8.139 11.401 2.725 1.00 0.00 C ATOM 455 O VAL A 34 -8.307 12.172 1.774 1.00 0.00 O ATOM 456 CB VAL A 34 -7.187 9.243 1.581 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.743 9.472 2.092 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.326 7.726 1.321 1.00 0.00 C ATOM 0 H VAL A 34 -9.733 9.212 1.142 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.076 9.385 3.512 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.370 9.782 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.034 9.035 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.554 10.542 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.623 9.001 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.536 7.399 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.244 7.186 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.297 7.522 0.870 1.00 0.00 H new ATOM 468 N GLY A 35 -7.896 11.846 3.968 1.00 0.00 N ATOM 469 CA GLY A 35 -8.078 13.274 4.357 1.00 0.00 C ATOM 470 C GLY A 35 -9.464 13.744 4.876 1.00 0.00 C ATOM 471 O GLY A 35 -9.572 14.912 5.252 1.00 0.00 O ATOM 0 H GLY A 35 -7.573 11.247 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.344 13.500 5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.827 13.885 3.490 1.00 0.00 H new ATOM 475 N ARG A 36 -10.509 12.894 4.923 1.00 0.00 N ATOM 476 CA ARG A 36 -11.852 13.282 5.435 1.00 0.00 C ATOM 477 C ARG A 36 -11.909 13.263 6.993 1.00 0.00 C ATOM 478 O ARG A 36 -11.347 12.376 7.642 1.00 0.00 O ATOM 479 CB ARG A 36 -12.913 12.337 4.794 1.00 0.00 C ATOM 480 CG ARG A 36 -14.393 12.695 5.109 1.00 0.00 C ATOM 481 CD ARG A 36 -15.444 11.944 4.274 1.00 0.00 C ATOM 482 NE ARG A 36 -15.635 10.528 4.711 1.00 0.00 N ATOM 483 CZ ARG A 36 -16.029 9.533 3.915 1.00 0.00 C ATOM 484 NH1 ARG A 36 -15.990 9.586 2.610 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.474 8.435 4.457 1.00 0.00 N ATOM 0 H ARG A 36 -10.454 11.924 4.611 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.068 14.311 5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.776 12.344 3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.722 11.319 5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.581 12.495 6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.530 13.766 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.396 12.470 4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.145 11.958 3.226 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.451 10.306 5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.643 10.424 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.307 8.789 2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.516 8.348 5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.780 7.662 3.866 1.00 0.00 H new ATOM 499 N THR A 37 -12.656 14.210 7.585 1.00 0.00 N ATOM 500 CA THR A 37 -12.891 14.275 9.058 1.00 0.00 C ATOM 501 C THR A 37 -13.547 12.972 9.633 1.00 0.00 C ATOM 502 O THR A 37 -14.409 12.347 9.001 1.00 0.00 O ATOM 503 CB THR A 37 -13.710 15.573 9.354 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.983 16.721 8.923 1.00 0.00 O ATOM 505 CG2 THR A 37 -14.026 15.843 10.835 1.00 0.00 C ATOM 0 H THR A 37 -13.118 14.957 7.066 1.00 0.00 H new ATOM 0 HA THR A 37 -11.936 14.329 9.582 1.00 0.00 H new ATOM 0 HB THR A 37 -14.646 15.403 8.822 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.056 16.468 8.729 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.597 16.768 10.923 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.610 15.016 11.239 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.095 15.937 11.394 1.00 0.00 H new ATOM 513 N VAL A 38 -13.133 12.566 10.847 1.00 0.00 N ATOM 514 CA VAL A 38 -13.734 11.398 11.559 1.00 0.00 C ATOM 515 C VAL A 38 -15.202 11.756 12.001 1.00 0.00 C ATOM 516 O VAL A 38 -15.436 12.772 12.661 1.00 0.00 O ATOM 517 CB VAL A 38 -12.820 10.901 12.732 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.388 9.634 13.409 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.369 10.546 12.323 1.00 0.00 C ATOM 0 H VAL A 38 -12.383 13.024 11.366 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.799 10.548 10.880 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.804 11.759 13.404 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.724 9.324 14.216 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.376 9.850 13.815 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.465 8.833 12.674 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.815 10.213 13.200 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.385 9.749 11.580 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.884 11.426 11.900 1.00 0.00 H new ATOM 529 N ALA A 39 -16.181 10.950 11.543 1.00 0.00 N ATOM 530 CA ALA A 39 -17.623 11.343 11.476 1.00 0.00 C ATOM 531 C ALA A 39 -18.038 12.465 10.450 1.00 0.00 C ATOM 532 O ALA A 39 -19.039 13.160 10.652 1.00 0.00 O ATOM 533 CB ALA A 39 -18.230 11.508 12.888 1.00 0.00 C ATOM 0 H ALA A 39 -16.004 10.004 11.206 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.098 10.484 11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.278 11.794 12.802 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.154 10.565 13.429 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.686 12.282 13.430 1.00 0.00 H new ATOM 539 N GLY A 40 -17.339 12.593 9.305 1.00 0.00 N ATOM 540 CA GLY A 40 -17.594 13.675 8.311 1.00 0.00 C ATOM 541 C GLY A 40 -18.436 13.316 7.067 1.00 0.00 C ATOM 542 O GLY A 40 -18.055 13.665 5.949 1.00 0.00 O ATOM 0 H GLY A 40 -16.586 11.959 9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.091 14.496 8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.630 14.051 7.968 1.00 0.00 H new ATOM 546 N VAL A 41 -19.598 12.683 7.271 1.00 0.00 N ATOM 547 CA VAL A 41 -20.645 12.510 6.214 1.00 0.00 C ATOM 548 C VAL A 41 -21.998 12.999 6.824 1.00 0.00 C ATOM 549 O VAL A 41 -22.636 12.289 7.610 1.00 0.00 O ATOM 550 CB VAL A 41 -20.708 11.050 5.631 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.885 10.807 4.652 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.418 10.646 4.880 1.00 0.00 C ATOM 0 H VAL A 41 -19.854 12.270 8.168 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.396 13.112 5.340 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.845 10.440 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.856 9.777 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.829 10.987 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.799 11.486 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.521 9.629 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.253 11.329 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.569 10.694 5.562 1.00 0.00 H new ATOM 562 N ASP A 42 -22.468 14.191 6.403 1.00 0.00 N ATOM 563 CA ASP A 42 -23.827 14.700 6.751 1.00 0.00 C ATOM 564 C ASP A 42 -24.915 13.920 5.939 1.00 0.00 C ATOM 565 O ASP A 42 -25.095 14.134 4.737 1.00 0.00 O ATOM 566 CB ASP A 42 -23.896 16.229 6.491 1.00 0.00 C ATOM 567 CG ASP A 42 -23.052 17.087 7.434 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.430 17.458 8.540 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.832 17.390 6.909 1.00 0.00 O ATOM 0 H ASP A 42 -21.929 14.829 5.817 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.024 14.532 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.578 16.422 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.935 16.548 6.567 1.00 0.00 H new ATOM 574 N GLY A 43 -25.564 12.947 6.596 1.00 0.00 N ATOM 575 CA GLY A 43 -26.234 11.822 5.886 1.00 0.00 C ATOM 576 C GLY A 43 -26.146 10.425 6.550 1.00 0.00 C ATOM 577 O GLY A 43 -27.049 9.612 6.331 1.00 0.00 O ATOM 0 H GLY A 43 -25.645 12.907 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.287 12.075 5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.808 11.750 4.885 1.00 0.00 H new ATOM 581 N PHE A 44 -25.069 10.105 7.295 1.00 0.00 N ATOM 582 CA PHE A 44 -24.952 8.833 8.060 1.00 0.00 C ATOM 583 C PHE A 44 -25.074 9.071 9.602 1.00 0.00 C ATOM 584 O PHE A 44 -24.468 9.990 10.165 1.00 0.00 O ATOM 585 CB PHE A 44 -23.608 8.158 7.661 1.00 0.00 C ATOM 586 CG PHE A 44 -23.425 6.736 8.224 1.00 0.00 C ATOM 587 CD1 PHE A 44 -24.109 5.650 7.665 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.658 6.540 9.376 1.00 0.00 C ATOM 589 CE1 PHE A 44 -24.036 4.395 8.262 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.592 5.286 9.976 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.284 4.215 9.419 1.00 0.00 C ATOM 0 H PHE A 44 -24.256 10.713 7.388 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.776 8.166 7.809 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.543 8.117 6.574 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.784 8.782 8.006 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.695 5.786 6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.112 7.368 9.804 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.564 3.559 7.827 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.005 5.145 10.872 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.237 3.242 9.886 1.00 0.00 H new ATOM 601 N ASN A 45 -25.801 8.173 10.295 1.00 0.00 N ATOM 602 CA ASN A 45 -25.850 8.152 11.781 1.00 0.00 C ATOM 603 C ASN A 45 -24.599 7.426 12.384 1.00 0.00 C ATOM 604 O ASN A 45 -24.576 6.202 12.543 1.00 0.00 O ATOM 605 CB ASN A 45 -27.202 7.502 12.184 1.00 0.00 C ATOM 606 CG ASN A 45 -27.554 7.628 13.660 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.101 8.623 14.120 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.254 6.638 14.454 1.00 0.00 N ATOM 0 H ASN A 45 -26.366 7.448 9.853 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.805 9.160 12.194 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -27.998 7.957 11.595 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.174 6.445 11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.475 6.697 15.448 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -26.798 5.805 14.081 1.00 0.00 H new ATOM 615 N TYR A 46 -23.569 8.206 12.742 1.00 0.00 N ATOM 616 CA TYR A 46 -22.338 7.685 13.394 1.00 0.00 C ATOM 617 C TYR A 46 -22.530 7.360 14.914 1.00 0.00 C ATOM 618 O TYR A 46 -23.354 7.974 15.600 1.00 0.00 O ATOM 619 CB TYR A 46 -21.202 8.730 13.177 1.00 0.00 C ATOM 620 CG TYR A 46 -20.660 8.855 11.742 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.688 7.962 11.285 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.126 9.857 10.883 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.173 8.077 9.997 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.622 9.961 9.588 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.636 9.080 9.150 1.00 0.00 C ATOM 626 OH TYR A 46 -19.108 9.228 7.895 1.00 0.00 O ATOM 0 H TYR A 46 -23.556 9.215 12.592 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.078 6.732 12.933 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.570 9.707 13.491 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.372 8.476 13.836 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.333 7.176 11.936 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.879 10.552 11.225 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.415 7.388 9.655 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.996 10.725 8.923 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.599 8.425 7.657 1.00 0.00 H new ATOM 636 N SER A 47 -21.734 6.417 15.462 1.00 0.00 N ATOM 637 CA SER A 47 -21.706 6.161 16.933 1.00 0.00 C ATOM 638 C SER A 47 -21.035 7.318 17.742 1.00 0.00 C ATOM 639 O SER A 47 -20.101 7.968 17.261 1.00 0.00 O ATOM 640 CB SER A 47 -21.064 4.777 17.231 1.00 0.00 C ATOM 641 OG SER A 47 -19.634 4.776 17.151 1.00 0.00 O ATOM 0 H SER A 47 -21.106 5.822 14.922 1.00 0.00 H new ATOM 0 HA SER A 47 -22.739 6.134 17.279 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.363 4.455 18.228 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.459 4.044 16.527 1.00 0.00 H new ATOM 0 HG SER A 47 -19.263 4.307 17.928 1.00 0.00 H new ATOM 647 N ASP A 48 -21.488 7.560 18.988 1.00 0.00 N ATOM 648 CA ASP A 48 -20.911 8.621 19.874 1.00 0.00 C ATOM 649 C ASP A 48 -19.342 8.634 20.043 1.00 0.00 C ATOM 650 O ASP A 48 -18.792 9.732 19.913 1.00 0.00 O ATOM 651 CB ASP A 48 -21.653 8.658 21.238 1.00 0.00 C ATOM 652 CG ASP A 48 -23.126 9.068 21.167 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.298 10.419 21.270 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.037 8.258 21.024 1.00 0.00 O ATOM 0 H ASP A 48 -22.254 7.039 19.415 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.091 9.550 19.333 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.589 7.671 21.695 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.131 9.350 21.899 1.00 0.00 H new ATOM 659 N PRO A 49 -18.574 7.519 20.244 1.00 0.00 N ATOM 660 CA PRO A 49 -17.085 7.524 20.127 1.00 0.00 C ATOM 661 C PRO A 49 -16.438 7.900 18.757 1.00 0.00 C ATOM 662 O PRO A 49 -15.368 8.509 18.749 1.00 0.00 O ATOM 663 CB PRO A 49 -16.699 6.099 20.569 1.00 0.00 C ATOM 664 CG PRO A 49 -17.930 5.536 21.278 1.00 0.00 C ATOM 665 CD PRO A 49 -19.114 6.194 20.587 1.00 0.00 C ATOM 0 HA PRO A 49 -16.691 8.339 20.735 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.426 5.484 19.711 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.837 6.116 21.236 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -17.975 4.450 21.190 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -17.914 5.769 22.343 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.428 5.641 19.702 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -19.981 6.265 21.244 1.00 0.00 H new ATOM 673 N MET A 50 -17.072 7.563 17.618 1.00 0.00 N ATOM 674 CA MET A 50 -16.715 8.147 16.292 1.00 0.00 C ATOM 675 C MET A 50 -17.038 9.675 16.143 1.00 0.00 C ATOM 676 O MET A 50 -16.210 10.419 15.611 1.00 0.00 O ATOM 677 CB MET A 50 -17.392 7.257 15.211 1.00 0.00 C ATOM 678 CG MET A 50 -16.892 7.469 13.770 1.00 0.00 C ATOM 679 SD MET A 50 -15.177 6.943 13.582 1.00 0.00 S ATOM 680 CE MET A 50 -15.390 5.301 12.871 1.00 0.00 C ATOM 0 H MET A 50 -17.837 6.889 17.580 1.00 0.00 H new ATOM 0 HA MET A 50 -15.632 8.134 16.171 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.241 6.211 15.479 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.466 7.440 15.235 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.523 6.910 13.079 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.982 8.522 13.504 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.413 4.850 12.699 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.961 4.678 13.559 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.925 5.381 11.925 1.00 0.00 H new ATOM 690 N LYS A 51 -18.201 10.149 16.634 1.00 0.00 N ATOM 691 CA LYS A 51 -18.540 11.604 16.689 1.00 0.00 C ATOM 692 C LYS A 51 -17.623 12.453 17.632 1.00 0.00 C ATOM 693 O LYS A 51 -17.102 13.484 17.201 1.00 0.00 O ATOM 694 CB LYS A 51 -20.047 11.792 17.028 1.00 0.00 C ATOM 695 CG LYS A 51 -21.043 11.221 15.988 1.00 0.00 C ATOM 696 CD LYS A 51 -22.530 11.531 16.253 1.00 0.00 C ATOM 697 CE LYS A 51 -23.102 10.858 17.512 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.560 11.063 17.591 1.00 0.00 N ATOM 0 H LYS A 51 -18.935 9.545 17.004 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.342 11.999 15.692 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.246 11.322 17.991 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.244 12.857 17.147 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.778 11.611 15.005 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.917 10.139 15.946 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.653 12.610 16.344 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.115 11.215 15.389 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.879 9.791 17.494 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.623 11.269 18.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.930 10.602 18.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.766 12.082 17.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.015 10.650 16.752 1.00 0.00 H new ATOM 711 N ALA A 52 -17.388 12.015 18.884 1.00 0.00 N ATOM 712 CA ALA A 52 -16.392 12.646 19.792 1.00 0.00 C ATOM 713 C ALA A 52 -14.906 12.141 19.674 1.00 0.00 C ATOM 714 O ALA A 52 -14.157 12.210 20.654 1.00 0.00 O ATOM 715 CB ALA A 52 -16.988 12.450 21.203 1.00 0.00 C ATOM 0 H ALA A 52 -17.875 11.221 19.298 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.259 13.692 19.518 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.319 12.886 21.945 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.960 12.940 21.259 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.107 11.385 21.403 1.00 0.00 H new ATOM 721 N HIS A 53 -14.439 11.705 18.483 1.00 0.00 N ATOM 722 CA HIS A 53 -13.027 11.272 18.275 1.00 0.00 C ATOM 723 C HIS A 53 -12.015 12.459 18.124 1.00 0.00 C ATOM 724 O HIS A 53 -11.071 12.552 18.913 1.00 0.00 O ATOM 725 CB HIS A 53 -13.006 10.269 17.086 1.00 0.00 C ATOM 726 CG HIS A 53 -11.736 9.426 16.993 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.704 9.675 16.099 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.456 8.295 17.778 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.868 8.642 16.438 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.231 7.762 17.426 1.00 0.00 N ATOM 0 H HIS A 53 -15.017 11.641 17.645 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.669 10.770 19.174 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.864 9.603 17.174 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.128 10.824 16.156 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.105 7.899 18.546 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.924 8.521 15.927 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.738 6.948 17.795 1.00 0.00 H new ATOM 738 N GLY A 54 -12.193 13.339 17.117 1.00 0.00 N ATOM 739 CA GLY A 54 -11.255 14.463 16.855 1.00 0.00 C ATOM 740 C GLY A 54 -10.058 14.100 15.959 1.00 0.00 C ATOM 741 O GLY A 54 -8.980 13.757 16.450 1.00 0.00 O ATOM 0 H GLY A 54 -12.978 13.297 16.467 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.807 15.279 16.389 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.879 14.836 17.808 1.00 0.00 H new ATOM 745 N GLY A 55 -10.254 14.209 14.644 1.00 0.00 N ATOM 746 CA GLY A 55 -9.192 13.902 13.656 1.00 0.00 C ATOM 747 C GLY A 55 -9.647 13.845 12.181 1.00 0.00 C ATOM 748 O GLY A 55 -10.809 14.079 11.834 1.00 0.00 O ATOM 0 H GLY A 55 -11.136 14.507 14.228 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.408 14.654 13.747 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.745 12.943 13.917 1.00 0.00 H new ATOM 752 N ASP A 56 -8.689 13.491 11.313 1.00 0.00 N ATOM 753 CA ASP A 56 -8.940 13.244 9.861 1.00 0.00 C ATOM 754 C ASP A 56 -8.305 11.887 9.420 1.00 0.00 C ATOM 755 O ASP A 56 -7.312 11.413 9.989 1.00 0.00 O ATOM 756 CB ASP A 56 -8.394 14.414 8.997 1.00 0.00 C ATOM 757 CG ASP A 56 -9.117 15.751 9.170 1.00 0.00 C ATOM 758 OD1 ASP A 56 -8.826 16.582 10.023 1.00 0.00 O ATOM 759 OD2 ASP A 56 -10.129 15.908 8.276 1.00 0.00 O ATOM 0 H ASP A 56 -7.714 13.364 11.584 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.017 13.186 9.706 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.340 14.557 9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.448 14.124 7.948 1.00 0.00 H new ATOM 764 N TRP A 57 -8.867 11.263 8.369 1.00 0.00 N ATOM 765 CA TRP A 57 -8.455 9.901 7.925 1.00 0.00 C ATOM 766 C TRP A 57 -7.171 9.904 7.034 1.00 0.00 C ATOM 767 O TRP A 57 -7.211 9.767 5.809 1.00 0.00 O ATOM 768 CB TRP A 57 -9.675 9.192 7.269 1.00 0.00 C ATOM 769 CG TRP A 57 -10.737 8.654 8.240 1.00 0.00 C ATOM 770 CD1 TRP A 57 -12.062 9.124 8.360 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.600 7.680 9.221 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.764 8.446 9.373 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.835 7.574 9.906 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.470 6.944 9.667 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.945 6.757 11.054 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.603 6.145 10.802 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.820 6.058 11.489 1.00 0.00 C ATOM 0 H TRP A 57 -9.610 11.674 7.804 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.154 9.322 8.798 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.155 9.894 6.587 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.308 8.362 6.666 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.485 9.908 7.749 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.738 8.570 9.651 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.530 7.002 9.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.882 6.676 11.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.752 5.583 11.158 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.888 5.439 12.371 1.00 0.00 H new ATOM 788 N THR A 58 -6.016 10.022 7.700 1.00 0.00 N ATOM 789 CA THR A 58 -4.667 9.923 7.070 1.00 0.00 C ATOM 790 C THR A 58 -4.252 8.446 6.709 1.00 0.00 C ATOM 791 O THR A 58 -4.813 7.511 7.295 1.00 0.00 O ATOM 792 CB THR A 58 -3.613 10.587 8.024 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.601 9.976 9.310 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.788 12.099 8.238 1.00 0.00 C ATOM 0 H THR A 58 -5.977 10.191 8.705 1.00 0.00 H new ATOM 0 HA THR A 58 -4.704 10.454 6.119 1.00 0.00 H new ATOM 0 HB THR A 58 -2.672 10.428 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.931 10.415 9.875 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.012 12.463 8.912 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.708 12.614 7.280 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.768 12.294 8.674 1.00 0.00 H new ATOM 802 N PRO A 59 -3.257 8.160 5.808 1.00 0.00 N ATOM 803 CA PRO A 59 -2.742 6.774 5.573 1.00 0.00 C ATOM 804 C PRO A 59 -2.357 5.913 6.817 1.00 0.00 C ATOM 805 O PRO A 59 -2.830 4.779 6.949 1.00 0.00 O ATOM 806 CB PRO A 59 -1.571 7.002 4.594 1.00 0.00 C ATOM 807 CG PRO A 59 -1.246 8.496 4.641 1.00 0.00 C ATOM 808 CD PRO A 59 -2.577 9.168 4.966 1.00 0.00 C ATOM 0 HA PRO A 59 -3.542 6.143 5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.704 6.408 4.882 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.845 6.697 3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.495 8.715 5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.847 8.845 3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.436 10.109 5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.147 9.393 4.065 1.00 0.00 H new ATOM 816 N GLU A 60 -1.563 6.472 7.750 1.00 0.00 N ATOM 817 CA GLU A 60 -1.341 5.850 9.087 1.00 0.00 C ATOM 818 C GLU A 60 -2.623 5.622 9.962 1.00 0.00 C ATOM 819 O GLU A 60 -2.826 4.498 10.423 1.00 0.00 O ATOM 820 CB GLU A 60 -0.144 6.459 9.859 1.00 0.00 C ATOM 821 CG GLU A 60 -0.371 7.814 10.568 1.00 0.00 C ATOM 822 CD GLU A 60 0.732 8.180 11.554 1.00 0.00 C ATOM 823 OE1 GLU A 60 0.661 7.437 12.704 1.00 0.00 O ATOM 824 OE2 GLU A 60 1.574 9.045 11.335 1.00 0.00 O ATOM 0 H GLU A 60 -1.062 7.350 7.612 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.044 4.830 8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.176 5.736 10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.683 6.579 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.450 8.599 9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.324 7.783 11.097 1.00 0.00 H new ATOM 831 N ALA A 61 -3.498 6.633 10.156 1.00 0.00 N ATOM 832 CA ALA A 61 -4.803 6.453 10.854 1.00 0.00 C ATOM 833 C ALA A 61 -5.769 5.392 10.233 1.00 0.00 C ATOM 834 O ALA A 61 -6.304 4.561 10.971 1.00 0.00 O ATOM 835 CB ALA A 61 -5.466 7.838 10.978 1.00 0.00 C ATOM 0 H ALA A 61 -3.329 7.588 9.840 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.587 6.027 11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.425 7.738 11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.819 8.501 11.552 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.624 8.256 9.984 1.00 0.00 H new ATOM 841 N LEU A 62 -5.931 5.367 8.896 1.00 0.00 N ATOM 842 CA LEU A 62 -6.585 4.243 8.172 1.00 0.00 C ATOM 843 C LEU A 62 -5.908 2.846 8.370 1.00 0.00 C ATOM 844 O LEU A 62 -6.623 1.915 8.737 1.00 0.00 O ATOM 845 CB LEU A 62 -6.715 4.610 6.663 1.00 0.00 C ATOM 846 CG LEU A 62 -7.734 5.722 6.298 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.488 6.237 4.873 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.190 5.233 6.412 1.00 0.00 C ATOM 0 H LEU A 62 -5.616 6.119 8.283 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.572 4.120 8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.733 4.917 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.987 3.707 6.116 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.585 6.530 7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.213 7.016 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.480 6.646 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.596 5.415 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.868 6.044 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.346 4.394 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.388 4.914 7.435 1.00 0.00 H new ATOM 860 N GLN A 63 -4.581 2.662 8.186 1.00 0.00 N ATOM 861 CA GLN A 63 -3.908 1.354 8.484 1.00 0.00 C ATOM 862 C GLN A 63 -3.902 0.901 9.991 1.00 0.00 C ATOM 863 O GLN A 63 -4.061 -0.290 10.277 1.00 0.00 O ATOM 864 CB GLN A 63 -2.537 1.265 7.748 1.00 0.00 C ATOM 865 CG GLN A 63 -1.275 1.830 8.448 1.00 0.00 C ATOM 866 CD GLN A 63 -0.552 0.885 9.422 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.549 -0.337 9.290 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.114 1.421 10.414 1.00 0.00 N ATOM 0 H GLN A 63 -3.952 3.386 7.838 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.548 0.579 8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.349 0.214 7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.642 1.778 6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.566 2.136 7.679 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.561 2.729 8.993 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.120 2.434 10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.626 0.826 11.065 1.00 0.00 H new ATOM 877 N GLU A 64 -3.771 1.836 10.950 1.00 0.00 N ATOM 878 CA GLU A 64 -4.049 1.593 12.396 1.00 0.00 C ATOM 879 C GLU A 64 -5.531 1.162 12.698 1.00 0.00 C ATOM 880 O GLU A 64 -5.738 0.118 13.323 1.00 0.00 O ATOM 881 CB GLU A 64 -3.611 2.862 13.193 1.00 0.00 C ATOM 882 CG GLU A 64 -2.086 3.175 13.214 1.00 0.00 C ATOM 883 CD GLU A 64 -1.704 4.581 13.696 1.00 0.00 C ATOM 884 OE1 GLU A 64 -2.050 4.786 14.999 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.134 5.416 12.992 1.00 0.00 O ATOM 0 H GLU A 64 -3.468 2.790 10.752 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.466 0.732 12.723 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.131 3.724 12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.951 2.753 14.223 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.592 2.444 13.854 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.691 3.036 12.208 1.00 0.00 H new ATOM 892 N PHE A 65 -6.550 1.910 12.221 1.00 0.00 N ATOM 893 CA PHE A 65 -7.981 1.492 12.284 1.00 0.00 C ATOM 894 C PHE A 65 -8.327 0.163 11.534 1.00 0.00 C ATOM 895 O PHE A 65 -8.998 -0.693 12.102 1.00 0.00 O ATOM 896 CB PHE A 65 -8.799 2.709 11.771 1.00 0.00 C ATOM 897 CG PHE A 65 -10.332 2.572 11.826 1.00 0.00 C ATOM 898 CD1 PHE A 65 -11.012 2.640 13.048 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.061 2.384 10.647 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.398 2.512 13.088 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.447 2.264 10.693 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.116 2.323 11.911 1.00 0.00 C ATOM 0 H PHE A 65 -6.411 2.820 11.781 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.236 1.234 13.312 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.512 3.584 12.354 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.510 2.905 10.739 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.459 2.792 13.963 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.547 2.332 9.699 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.917 2.559 14.034 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.005 2.124 9.779 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.191 2.222 11.943 1.00 0.00 H new ATOM 912 N LEU A 66 -7.867 -0.039 10.290 1.00 0.00 N ATOM 913 CA LEU A 66 -8.052 -1.327 9.557 1.00 0.00 C ATOM 914 C LEU A 66 -7.204 -2.544 10.068 1.00 0.00 C ATOM 915 O LEU A 66 -7.515 -3.678 9.702 1.00 0.00 O ATOM 916 CB LEU A 66 -7.857 -1.060 8.037 1.00 0.00 C ATOM 917 CG LEU A 66 -8.841 -0.052 7.374 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.359 0.325 5.966 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.285 -0.580 7.325 1.00 0.00 C ATOM 0 H LEU A 66 -7.361 0.669 9.758 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.069 -1.660 9.764 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.841 -0.696 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.938 -2.011 7.511 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.850 0.840 8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.059 1.030 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.373 0.784 6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.302 -0.572 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.928 0.163 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.315 -1.505 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.637 -0.773 8.339 1.00 0.00 H new ATOM 931 N THR A 67 -6.203 -2.349 10.948 1.00 0.00 N ATOM 932 CA THR A 67 -5.648 -3.432 11.815 1.00 0.00 C ATOM 933 C THR A 67 -6.663 -3.899 12.923 1.00 0.00 C ATOM 934 O THR A 67 -6.948 -5.095 13.006 1.00 0.00 O ATOM 935 CB THR A 67 -4.270 -2.991 12.409 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.389 -2.503 11.401 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.501 -4.132 13.096 1.00 0.00 C ATOM 0 H THR A 67 -5.751 -1.445 11.085 1.00 0.00 H new ATOM 0 HA THR A 67 -5.480 -4.310 11.192 1.00 0.00 H new ATOM 0 HB THR A 67 -4.538 -2.221 13.133 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.587 -1.560 11.222 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.556 -3.752 13.484 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.097 -4.529 13.918 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.305 -4.925 12.374 1.00 0.00 H new ATOM 945 N ASN A 68 -7.192 -2.984 13.765 1.00 0.00 N ATOM 946 CA ASN A 68 -8.242 -3.305 14.773 1.00 0.00 C ATOM 947 C ASN A 68 -9.204 -2.066 14.907 1.00 0.00 C ATOM 948 O ASN A 68 -8.811 -1.095 15.570 1.00 0.00 O ATOM 949 CB ASN A 68 -7.553 -3.718 16.106 1.00 0.00 C ATOM 950 CG ASN A 68 -8.488 -4.170 17.242 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.589 -3.668 17.449 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.065 -5.103 18.058 1.00 0.00 N ATOM 0 H ASN A 68 -6.908 -2.004 13.770 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.858 -4.151 14.468 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.855 -4.528 15.894 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.963 -2.874 16.463 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.647 -5.396 18.843 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.154 -5.537 17.909 1.00 0.00 H new ATOM 959 N PRO A 69 -10.458 -2.051 14.354 1.00 0.00 N ATOM 960 CA PRO A 69 -11.383 -0.885 14.489 1.00 0.00 C ATOM 961 C PRO A 69 -11.788 -0.419 15.924 1.00 0.00 C ATOM 962 O PRO A 69 -11.793 0.786 16.192 1.00 0.00 O ATOM 963 CB PRO A 69 -12.574 -1.294 13.601 1.00 0.00 C ATOM 964 CG PRO A 69 -11.963 -2.216 12.549 1.00 0.00 C ATOM 965 CD PRO A 69 -10.915 -3.014 13.328 1.00 0.00 C ATOM 0 HA PRO A 69 -10.877 0.030 14.181 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.344 -1.805 14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.045 -0.425 13.142 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -12.714 -2.869 12.105 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.511 -1.650 11.735 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.342 -3.910 13.778 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.096 -3.339 12.686 1.00 0.00 H new ATOM 973 N LYS A 70 -12.072 -1.364 16.841 1.00 0.00 N ATOM 974 CA LYS A 70 -12.321 -1.066 18.283 1.00 0.00 C ATOM 975 C LYS A 70 -11.135 -0.449 19.091 1.00 0.00 C ATOM 976 O LYS A 70 -11.373 0.364 19.982 1.00 0.00 O ATOM 977 CB LYS A 70 -12.859 -2.328 19.019 1.00 0.00 C ATOM 978 CG LYS A 70 -14.308 -2.788 18.721 1.00 0.00 C ATOM 979 CD LYS A 70 -14.484 -3.670 17.464 1.00 0.00 C ATOM 980 CE LYS A 70 -15.221 -2.956 16.324 1.00 0.00 C ATOM 981 NZ LYS A 70 -15.262 -3.830 15.139 1.00 0.00 N ATOM 0 H LYS A 70 -12.137 -2.356 16.614 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.069 -0.274 18.252 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.192 -3.158 18.787 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.781 -2.147 20.091 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.680 -3.339 19.585 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.936 -1.904 18.613 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.503 -3.988 17.111 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.033 -4.572 17.735 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.234 -2.701 16.636 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.717 -2.020 16.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.977 -3.476 14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.330 -3.834 14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.508 -4.798 15.430 1.00 0.00 H new ATOM 994 N ALA A 71 -9.880 -0.822 18.811 1.00 0.00 N ATOM 995 CA ALA A 71 -8.690 -0.202 19.458 1.00 0.00 C ATOM 996 C ALA A 71 -8.430 1.307 19.133 1.00 0.00 C ATOM 997 O ALA A 71 -8.134 2.077 20.050 1.00 0.00 O ATOM 998 CB ALA A 71 -7.481 -1.097 19.126 1.00 0.00 C ATOM 0 H ALA A 71 -9.649 -1.553 18.138 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.880 -0.160 20.530 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.583 -0.679 19.582 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.653 -2.100 19.516 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.350 -1.146 18.045 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.561 1.741 17.862 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.501 3.192 17.488 1.00 0.00 C ATOM 1006 C VAL A 72 -9.821 3.964 17.841 1.00 0.00 C ATOM 1007 O VAL A 72 -9.732 5.018 18.478 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.014 3.362 16.005 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -8.044 4.818 15.472 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.569 2.853 15.793 1.00 0.00 C ATOM 0 H VAL A 72 -8.709 1.117 17.069 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.747 3.677 18.109 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.737 2.763 15.451 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.691 4.835 14.441 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.064 5.199 15.512 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.398 5.444 16.088 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.283 2.994 14.751 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.888 3.412 16.435 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.516 1.793 16.043 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.014 3.490 17.426 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.311 4.150 17.767 1.00 0.00 C ATOM 1022 C VAL A 73 -13.061 3.210 18.769 1.00 0.00 C ATOM 1023 O VAL A 73 -13.695 2.225 18.371 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.140 4.494 16.482 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.450 5.241 16.819 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.397 5.354 15.430 1.00 0.00 C ATOM 0 H VAL A 73 -11.116 2.652 16.853 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.146 5.115 18.246 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.333 3.511 16.052 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.992 5.459 15.899 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.068 4.618 17.465 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.215 6.174 17.331 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.054 5.537 14.580 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.107 6.305 15.877 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.506 4.826 15.092 1.00 0.00 H new ATOM 1036 N LYS A 74 -12.987 3.521 20.077 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.460 2.600 21.153 1.00 0.00 C ATOM 1038 C LYS A 74 -15.009 2.648 21.342 1.00 0.00 C ATOM 1039 O LYS A 74 -15.562 3.504 22.036 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.655 2.890 22.451 1.00 0.00 C ATOM 1041 CG LYS A 74 -11.170 2.448 22.409 1.00 0.00 C ATOM 1042 CD LYS A 74 -10.308 2.955 23.583 1.00 0.00 C ATOM 1043 CE LYS A 74 -10.629 2.287 24.932 1.00 0.00 C ATOM 1044 NZ LYS A 74 -9.727 2.801 25.979 1.00 0.00 N ATOM 0 H LYS A 74 -12.606 4.401 20.424 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.265 1.568 20.862 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.695 3.960 22.655 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.145 2.388 23.285 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.131 1.359 22.392 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.728 2.797 21.476 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.257 2.787 23.347 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.444 4.032 23.681 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.666 2.483 25.206 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.521 1.206 24.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.952 2.344 26.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.741 2.593 25.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.851 3.830 26.070 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.685 1.707 20.669 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.152 1.770 20.417 1.00 0.00 C ATOM 1059 C GLY A 75 -17.595 2.337 19.040 1.00 0.00 C ATOM 1060 O GLY A 75 -18.580 3.080 18.940 1.00 0.00 O ATOM 0 H GLY A 75 -15.240 0.876 20.279 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.559 0.764 20.519 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.607 2.378 21.199 1.00 0.00 H new ATOM 1064 N THR A 76 -16.921 1.912 17.960 1.00 0.00 N ATOM 1065 CA THR A 76 -17.434 2.050 16.569 1.00 0.00 C ATOM 1066 C THR A 76 -18.512 0.967 16.227 1.00 0.00 C ATOM 1067 O THR A 76 -18.335 -0.218 16.530 1.00 0.00 O ATOM 1068 CB THR A 76 -16.250 2.052 15.548 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.736 2.264 14.226 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.368 0.791 15.478 1.00 0.00 C ATOM 0 H THR A 76 -16.007 1.463 18.015 1.00 0.00 H new ATOM 0 HA THR A 76 -17.942 3.012 16.492 1.00 0.00 H new ATOM 0 HB THR A 76 -15.621 2.855 15.932 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.984 2.265 13.597 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.589 0.933 14.729 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.909 0.614 16.450 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.982 -0.067 15.205 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.596 1.353 15.526 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.570 0.362 14.957 1.00 0.00 C ATOM 1080 C LYS A 77 -20.142 -0.443 13.670 1.00 0.00 C ATOM 1081 O LYS A 77 -20.979 -1.121 13.068 1.00 0.00 O ATOM 1082 CB LYS A 77 -21.961 1.046 14.819 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.130 2.134 13.725 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.592 2.561 13.480 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.175 3.433 14.602 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.626 3.620 14.407 1.00 0.00 N ATOM 0 H LYS A 77 -19.830 2.327 15.334 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.606 -0.451 15.682 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.700 0.267 14.632 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.209 1.497 15.780 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.549 3.012 14.008 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.710 1.762 12.790 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.649 3.109 12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -24.208 1.669 13.367 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.989 2.965 15.569 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.676 4.402 14.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -26.006 4.212 15.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -25.796 4.086 13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -26.100 2.694 14.417 1.00 0.00 H new ATOM 1099 N MET A 78 -18.858 -0.419 13.262 1.00 0.00 N ATOM 1100 CA MET A 78 -18.351 -1.189 12.099 1.00 0.00 C ATOM 1101 C MET A 78 -18.098 -2.685 12.464 1.00 0.00 C ATOM 1102 O MET A 78 -17.168 -3.004 13.212 1.00 0.00 O ATOM 1103 CB MET A 78 -17.088 -0.451 11.571 1.00 0.00 C ATOM 1104 CG MET A 78 -16.418 -1.147 10.371 1.00 0.00 C ATOM 1105 SD MET A 78 -15.652 0.051 9.210 1.00 0.00 S ATOM 1106 CE MET A 78 -13.951 -0.609 9.343 1.00 0.00 C ATOM 0 H MET A 78 -18.139 0.134 13.727 1.00 0.00 H new ATOM 0 HA MET A 78 -19.094 -1.230 11.303 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.365 0.563 11.283 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.363 -0.366 12.381 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.656 -1.837 10.733 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.160 -1.742 9.838 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.284 -0.026 8.708 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.615 -0.544 10.378 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.939 -1.651 9.022 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.887 -3.609 11.883 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.663 -5.071 12.051 1.00 0.00 C ATOM 1118 C ALA A 79 -17.550 -5.641 11.106 1.00 0.00 C ATOM 1119 O ALA A 79 -17.802 -6.351 10.128 1.00 0.00 O ATOM 1120 CB ALA A 79 -20.042 -5.745 11.908 1.00 0.00 C ATOM 0 H ALA A 79 -19.686 -3.377 11.293 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.255 -5.292 13.037 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.934 -6.823 12.023 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.715 -5.364 12.676 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.454 -5.525 10.923 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.294 -5.317 11.448 1.00 0.00 N ATOM 1127 CA PHE A 80 -15.086 -5.762 10.709 1.00 0.00 C ATOM 1128 C PHE A 80 -13.951 -6.031 11.748 1.00 0.00 C ATOM 1129 O PHE A 80 -13.603 -5.155 12.546 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.707 -4.681 9.653 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.572 -5.094 8.702 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.829 -5.979 7.650 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.260 -4.665 8.934 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.784 -6.456 6.864 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.217 -5.139 8.142 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.478 -6.045 7.116 1.00 0.00 C ATOM 0 H PHE A 80 -16.078 -4.731 12.255 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.262 -6.688 10.162 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.591 -4.442 9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.415 -3.769 10.173 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.842 -6.293 7.447 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -12.056 -3.964 9.730 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.987 -7.146 6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.206 -4.804 8.323 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.666 -6.429 6.516 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.355 -7.236 11.729 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.280 -7.610 12.688 1.00 0.00 C ATOM 1148 C ALA A 81 -10.882 -6.967 12.406 1.00 0.00 C ATOM 1149 O ALA A 81 -10.332 -6.307 13.293 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.250 -9.150 12.756 1.00 0.00 C ATOM 0 H ALA A 81 -13.593 -7.972 11.064 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.519 -7.189 13.665 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.473 -9.468 13.451 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.217 -9.518 13.100 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.039 -9.554 11.766 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.309 -7.156 11.204 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.969 -6.609 10.879 1.00 0.00 C ATOM 1158 C GLY A 82 -8.306 -7.182 9.609 1.00 0.00 C ATOM 1159 O GLY A 82 -8.471 -8.352 9.256 1.00 0.00 O ATOM 0 H GLY A 82 -10.744 -7.678 10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.055 -5.528 10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.307 -6.790 11.726 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.475 -6.349 8.972 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.518 -6.784 7.921 1.00 0.00 C ATOM 1165 C LEU A 83 -5.103 -6.984 8.578 1.00 0.00 C ATOM 1166 O LEU A 83 -4.432 -5.971 8.823 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.466 -5.713 6.791 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.710 -5.539 5.886 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.529 -4.324 4.961 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.006 -6.782 5.029 1.00 0.00 C ATOM 0 H LEU A 83 -7.439 -5.348 9.164 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.838 -7.728 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.256 -4.750 7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.618 -5.949 6.148 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.558 -5.388 6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.411 -4.213 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.398 -3.425 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.650 -4.472 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.889 -6.600 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.153 -6.990 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.186 -7.638 5.679 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.590 -8.215 8.887 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.291 -8.390 9.606 1.00 0.00 C ATOM 1184 C PRO A 84 -1.975 -8.038 8.836 1.00 0.00 C ATOM 1185 O PRO A 84 -1.045 -7.502 9.448 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.373 -9.856 10.078 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.294 -10.553 9.074 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.324 -9.486 8.705 1.00 0.00 C ATOM 0 HA PRO A 84 -3.194 -7.658 10.408 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.387 -10.320 10.094 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.773 -9.922 11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.742 -10.894 8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.769 -11.430 9.512 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.673 -9.604 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.202 -9.537 9.348 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.898 -8.282 7.516 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.719 -7.925 6.685 1.00 0.00 C ATOM 1198 C LYS A 85 -0.720 -6.414 6.284 1.00 0.00 C ATOM 1199 O LYS A 85 -1.678 -5.899 5.695 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.700 -8.824 5.418 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.425 -10.325 5.667 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.392 -11.139 4.359 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.123 -12.631 4.610 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.143 -13.367 3.331 1.00 0.00 N ATOM 0 H LYS A 85 -2.647 -8.731 6.989 1.00 0.00 H new ATOM 0 HA LYS A 85 0.181 -8.095 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.661 -8.728 4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.059 -8.442 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.527 -10.436 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.195 -10.729 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.343 -11.026 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.380 -10.738 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.843 -12.758 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.877 -13.037 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.040 -14.375 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.075 -13.257 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.592 -12.988 2.701 1.00 0.00 H new ATOM 1217 N ILE A 86 0.409 -5.730 6.544 1.00 0.00 N ATOM 1218 CA ILE A 86 0.702 -4.366 5.991 1.00 0.00 C ATOM 1219 C ILE A 86 0.541 -4.199 4.438 1.00 0.00 C ATOM 1220 O ILE A 86 -0.054 -3.212 4.003 1.00 0.00 O ATOM 1221 CB ILE A 86 2.079 -3.855 6.540 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.403 -2.368 6.212 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.299 -4.718 6.113 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.468 -1.324 6.845 1.00 0.00 C ATOM 0 H ILE A 86 1.152 -6.094 7.141 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.091 -3.715 6.360 1.00 0.00 H new ATOM 0 HB ILE A 86 1.931 -3.950 7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.423 -2.158 6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.379 -2.241 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.210 -4.294 6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.169 -5.737 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.374 -4.729 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.786 -0.324 6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.447 -1.495 6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.507 -1.411 7.931 1.00 0.00 H new ATOM 1236 N GLU A 87 1.018 -5.161 3.624 1.00 0.00 N ATOM 1237 CA GLU A 87 0.780 -5.192 2.150 1.00 0.00 C ATOM 1238 C GLU A 87 -0.724 -5.147 1.711 1.00 0.00 C ATOM 1239 O GLU A 87 -1.065 -4.326 0.861 1.00 0.00 O ATOM 1240 CB GLU A 87 1.512 -6.411 1.522 1.00 0.00 C ATOM 1241 CG GLU A 87 3.060 -6.383 1.598 1.00 0.00 C ATOM 1242 CD GLU A 87 3.723 -7.574 0.912 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.873 -8.638 1.749 1.00 0.00 O ATOM 1244 OE2 GLU A 87 4.080 -7.573 -0.261 1.00 0.00 O ATOM 0 H GLU A 87 1.580 -5.943 3.961 1.00 0.00 H new ATOM 0 HA GLU A 87 1.197 -4.261 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.159 -7.316 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.220 -6.486 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.422 -5.462 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.364 -6.360 2.644 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.634 -5.947 2.309 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.112 -5.784 2.113 1.00 0.00 C ATOM 1253 C ASP A 88 -3.694 -4.377 2.493 1.00 0.00 C ATOM 1254 O ASP A 88 -4.484 -3.821 1.726 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.870 -6.915 2.865 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.683 -8.316 2.282 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -2.749 -9.052 2.585 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.664 -8.642 1.389 1.00 0.00 O ATOM 0 H ASP A 88 -1.383 -6.714 2.933 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.272 -5.860 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.541 -6.923 3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.934 -6.678 2.869 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.282 -3.800 3.639 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.612 -2.394 4.016 1.00 0.00 C ATOM 1265 C ARG A 89 -3.032 -1.300 3.054 1.00 0.00 C ATOM 1266 O ARG A 89 -3.793 -0.461 2.570 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.205 -2.135 5.497 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.797 -3.107 6.552 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.666 -2.676 8.024 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.252 -2.560 8.490 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.546 -3.514 9.090 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.959 -4.740 9.251 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.373 -3.197 9.547 1.00 0.00 N ATOM 0 H ARG A 89 -2.713 -4.285 4.333 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.692 -2.295 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.118 -2.176 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.503 -1.120 5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.854 -3.250 6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.312 -4.076 6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.164 -1.716 8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.189 -3.397 8.653 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.785 -1.667 8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.878 -5.018 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.363 -5.421 9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.024 -2.245 9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.200 -3.900 10.014 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.720 -1.319 2.749 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.097 -0.438 1.723 1.00 0.00 C ATOM 1289 C ALA A 90 -1.594 -0.599 0.245 1.00 0.00 C ATOM 1290 O ALA A 90 -1.786 0.418 -0.425 1.00 0.00 O ATOM 1291 CB ALA A 90 0.424 -0.631 1.865 1.00 0.00 C ATOM 0 H ALA A 90 -1.055 -1.944 3.204 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.412 0.586 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.940 -0.007 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.735 -0.346 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.676 -1.677 1.691 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.867 -1.823 -0.256 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.617 -2.044 -1.532 1.00 0.00 C ATOM 1299 C ASN A 91 -4.039 -1.386 -1.560 1.00 0.00 C ATOM 1300 O ASN A 91 -4.346 -0.616 -2.475 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.696 -3.569 -1.841 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.404 -4.280 -2.267 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -1.351 -5.584 -2.150 1.00 0.00 O flip ATOM 1304 ND2 ASN A 91 -0.444 -3.702 -2.759 1.00 0.00 N flip ATOM 0 H ASN A 91 -1.580 -2.688 0.203 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.054 -1.537 -2.316 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.078 -4.072 -0.952 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.434 -3.713 -2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.458 -2.687 -2.862 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.370 -4.235 -3.066 1.00 0.00 H new ATOM 1311 N LEU A 92 -4.881 -1.642 -0.539 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.150 -0.893 -0.316 1.00 0.00 C ATOM 1313 C LEU A 92 -6.018 0.663 -0.194 1.00 0.00 C ATOM 1314 O LEU A 92 -6.774 1.378 -0.850 1.00 0.00 O ATOM 1315 CB LEU A 92 -6.828 -1.550 0.915 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.240 -1.047 1.300 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.292 -1.286 0.206 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.689 -1.750 2.585 1.00 0.00 C ATOM 0 H LEU A 92 -4.709 -2.369 0.156 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.768 -0.976 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.890 -2.623 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.174 -1.410 1.775 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.165 0.031 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.258 -0.910 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.996 -0.764 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.369 -2.354 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.683 -1.400 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.716 -2.827 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.988 -1.523 3.388 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.070 1.195 0.596 1.00 0.00 N ATOM 1331 CA ILE A 93 -4.820 2.667 0.715 1.00 0.00 C ATOM 1332 C ILE A 93 -4.194 3.325 -0.574 1.00 0.00 C ATOM 1333 O ILE A 93 -4.487 4.494 -0.842 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.087 2.924 2.082 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -5.002 2.582 3.304 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.547 4.369 2.253 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.264 2.367 4.632 1.00 0.00 C ATOM 0 H ILE A 93 -4.449 0.629 1.175 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.763 3.212 0.752 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.228 2.253 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.724 3.388 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.569 1.681 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.056 4.462 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.830 4.586 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.375 5.076 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.985 2.136 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.562 1.539 4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.719 3.273 4.896 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.409 2.621 -1.415 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.215 2.995 -2.848 1.00 0.00 C ATOM 1351 C ALA A 94 -4.524 3.106 -3.704 1.00 0.00 C ATOM 1352 O ALA A 94 -4.707 4.111 -4.397 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.204 1.999 -3.443 1.00 0.00 C ATOM 0 H ALA A 94 -2.894 1.787 -1.134 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.835 4.016 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.033 2.237 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.263 2.067 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.599 0.986 -3.361 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.451 2.126 -3.628 1.00 0.00 N ATOM 1360 CA TYR A 95 -6.814 2.249 -4.229 1.00 0.00 C ATOM 1361 C TYR A 95 -7.696 3.411 -3.643 1.00 0.00 C ATOM 1362 O TYR A 95 -8.266 4.177 -4.420 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.492 0.850 -4.154 1.00 0.00 C ATOM 1364 CG TYR A 95 -8.870 0.749 -4.827 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -8.965 0.595 -6.213 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.039 0.859 -4.064 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.213 0.550 -6.829 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.285 0.824 -4.685 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.369 0.665 -6.064 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.593 0.597 -6.668 1.00 0.00 O ATOM 0 H TYR A 95 -5.288 1.236 -3.157 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.707 2.555 -5.270 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.828 0.118 -4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.597 0.572 -3.105 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.068 0.511 -6.808 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.974 0.971 -2.992 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.283 0.426 -7.900 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.185 0.920 -4.096 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.524 0.064 -7.488 1.00 0.00 H new ATOM 1380 N LEU A 96 -7.793 3.565 -2.308 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.475 4.729 -1.662 1.00 0.00 C ATOM 1382 C LEU A 96 -7.857 6.144 -1.952 1.00 0.00 C ATOM 1383 O LEU A 96 -8.610 7.115 -2.024 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.608 4.475 -0.131 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.396 3.222 0.347 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.287 3.073 1.875 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -10.875 3.264 -0.068 1.00 0.00 C ATOM 0 H LEU A 96 -7.407 2.897 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.457 4.781 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.602 4.412 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.080 5.352 0.311 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.944 2.358 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.843 2.192 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.240 2.963 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.701 3.959 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.379 2.366 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.350 4.144 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.947 3.311 -1.155 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.531 6.276 -2.158 1.00 0.00 N ATOM 1400 CA GLU A 97 -5.910 7.476 -2.801 1.00 0.00 C ATOM 1401 C GLU A 97 -6.283 7.718 -4.308 1.00 0.00 C ATOM 1402 O GLU A 97 -6.440 8.873 -4.708 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.374 7.386 -2.600 1.00 0.00 C ATOM 1404 CG GLU A 97 -3.907 7.601 -1.137 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.451 7.236 -0.886 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.277 5.883 -0.801 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.552 8.062 -0.761 1.00 0.00 O ATOM 0 H GLU A 97 -5.854 5.563 -1.888 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.329 8.352 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.032 6.408 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.892 8.129 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.059 8.647 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.538 7.007 -0.475 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.467 6.669 -5.136 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.213 6.788 -6.426 1.00 0.00 C ATOM 1416 C GLY A 98 -8.718 7.174 -6.359 1.00 0.00 C ATOM 1417 O GLY A 98 -9.176 7.993 -7.156 1.00 0.00 O ATOM 0 H GLY A 98 -6.115 5.731 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.704 7.530 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.135 5.834 -6.948 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.480 6.598 -5.417 1.00 0.00 N ATOM 1422 CA GLN A 99 -10.885 7.010 -5.115 1.00 0.00 C ATOM 1423 C GLN A 99 -10.950 8.121 -4.004 1.00 0.00 C ATOM 1424 O GLN A 99 -11.523 7.937 -2.924 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.680 5.726 -4.731 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.789 4.581 -5.778 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.621 4.902 -7.023 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.826 4.679 -7.079 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -12.013 5.431 -8.058 1.00 0.00 N ATOM 0 H GLN A 99 -9.150 5.829 -4.834 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.339 7.470 -5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.225 5.311 -3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.692 6.030 -4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.783 4.306 -6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.220 3.706 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.011 5.620 -8.020 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.542 5.654 -8.901 1.00 0.00 H new