USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 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 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 183 NAG O3 : rot -169:sc= 0.0173 USER MOD Set 1.2: A 186 GAL O2 : rot 180:sc= 0.0186 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= -2.98! USER MOD Single : A 1 ALA N :NH3+ -146:sc= -3.44! (180deg=-6.44!) USER MOD Single : A 5 GLN : amide:sc= -1.09! C(o=-1.1!,f=-1.8!) USER MOD Single : A 11 THR OG1 : rot 60:sc= -0.123! USER MOD Single : A 13 GLN : amide:sc= -4! C(o=-4!,f=-5.6!) USER MOD Single : A 15 ASN :FLIP amide:sc= -9.33! C(o=-15!,f=-9.3!) USER MOD Single : A 19 SER OG : rot -9:sc= 0.901 USER MOD Single : A 20 GLN :FLIP amide:sc=-0.00659 F(o=-1.3!,f=-0.0066) USER MOD Single : A 27 GLN : amide:sc= -6.02! C(o=-6!,f=-5.6!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 65:sc= 0.867 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 22:sc= 0.279 USER MOD Single : A 43 SER OG : rot -106:sc= 0.628 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 146:sc= -0.356 (180deg=-0.863) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0659 USER MOD Single : A 47 MET CE :methyl -124:sc= 0 (180deg=-0.0105) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.48 F(o=-4!,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.4! X(o=-1.4!,f=-1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 55 SER OG : rot 59:sc= 0.994 USER MOD Single : A 57 SER OG : rot -69:sc= 0.447 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.59! C(o=-2.6!,f=-11!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 71 MET CE :methyl -153:sc= -6.46! (180deg=-9.35!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -15.5! C(o=-18!,f=-15!) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -14.6! C(o=-17!,f=-15!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0052 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.303 K(o=-0.3,f=-0.96) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 180:sc= -0.0422 USER MOD Single : A 179 NAG O3 : rot 180:sc= 0 USER MOD Single : A 179 NAG O6 : rot 180:sc= -0.0183 USER MOD Single : A 180 BMA O2 : rot 141:sc= 0.105 USER MOD Single : A 180 BMA O4 : rot 160:sc= -0.795 USER MOD Single : A 181 MAN O3 : rot -14:sc= 0.728 USER MOD Single : A 181 MAN O4 : rot -153:sc= 1.08 USER MOD Single : A 181 MAN O6 : rot 180:sc= 0.888 USER MOD Single : A 182 MAN O3 : rot 26:sc= 0.0779 USER MOD Single : A 182 MAN O4 : rot 160:sc= 0 USER MOD Single : A 182 MAN O6 : rot -26:sc= 0.0339 USER MOD Single : A 183 NAG O6 : rot -26:sc= 0.0537 USER MOD Single : A 184 NAG O3 : rot 180:sc= 0 USER MOD Single : A 184 NAG O6 : rot 180:sc= -2.79! USER MOD Single : A 185 GAL O2 : rot 180:sc= -9.42! USER MOD Single : A 185 GAL O3 : rot 89:sc= 0.0806 USER MOD Single : A 185 GAL O4 : rot 127:sc= 1.2 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0.859 USER MOD Single : A 186 GAL O3 : rot 88:sc= 0.0842 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0823 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.932 -10.366 -3.209 1.00 0.00 N ATOM 2 CA ALA A 1 2.360 -10.049 -2.952 1.00 0.00 C ATOM 3 C ALA A 1 3.255 -10.647 -4.029 1.00 0.00 C ATOM 4 O ALA A 1 4.155 -9.984 -4.545 1.00 0.00 O ATOM 5 CB ALA A 1 2.775 -10.561 -1.579 1.00 0.00 C ATOM 0 H1 ALA A 1 0.338 -9.572 -2.895 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.789 -10.523 -4.227 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.667 -11.225 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 1 2.476 -8.966 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.824 -10.322 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.162 -10.087 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.637 -11.641 -1.537 1.00 0.00 H new ATOM 13 N PRO A 2 3.015 -11.917 -4.382 1.00 0.00 N ATOM 14 CA PRO A 2 3.797 -12.619 -5.404 1.00 0.00 C ATOM 15 C PRO A 2 3.761 -11.905 -6.749 1.00 0.00 C ATOM 16 O PRO A 2 2.779 -11.244 -7.087 1.00 0.00 O ATOM 17 CB PRO A 2 3.117 -13.990 -5.505 1.00 0.00 C ATOM 18 CG PRO A 2 2.384 -14.151 -4.219 1.00 0.00 C ATOM 19 CD PRO A 2 1.959 -12.768 -3.814 1.00 0.00 C ATOM 0 HA PRO A 2 4.853 -12.676 -5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.436 -14.031 -6.355 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.850 -14.785 -5.644 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.521 -14.806 -4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.022 -14.602 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.977 -12.514 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.898 -12.666 -2.731 1.00 0.00 H new ATOM 27 N ASP A 3 4.837 -12.044 -7.513 1.00 0.00 N ATOM 28 CA ASP A 3 4.932 -11.413 -8.823 1.00 0.00 C ATOM 29 C ASP A 3 4.121 -12.185 -9.859 1.00 0.00 C ATOM 30 O ASP A 3 3.968 -13.403 -9.760 1.00 0.00 O ATOM 31 CB ASP A 3 6.393 -11.330 -9.261 1.00 0.00 C ATOM 32 CG ASP A 3 6.777 -9.943 -9.737 1.00 0.00 C ATOM 33 OD1 ASP A 3 6.033 -8.986 -9.437 1.00 0.00 O ATOM 34 OD2 ASP A 3 7.822 -9.814 -10.407 1.00 0.00 O ATOM 0 H ASP A 3 5.657 -12.589 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 3 4.523 -10.406 -8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.036 -11.616 -8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.570 -12.048 -10.062 1.00 0.00 H new ATOM 39 N VAL A 4 3.603 -11.469 -10.851 1.00 0.00 N ATOM 40 CA VAL A 4 2.809 -12.089 -11.907 1.00 0.00 C ATOM 41 C VAL A 4 1.924 -13.200 -11.352 1.00 0.00 C ATOM 42 O VAL A 4 1.598 -14.156 -12.054 1.00 0.00 O ATOM 43 CB VAL A 4 3.710 -12.668 -13.013 1.00 0.00 C ATOM 44 CG1 VAL A 4 4.407 -13.930 -12.530 1.00 0.00 C ATOM 45 CG2 VAL A 4 2.904 -12.944 -14.272 1.00 0.00 C ATOM 0 H VAL A 4 3.718 -10.460 -10.947 1.00 0.00 H new ATOM 0 HA VAL A 4 2.178 -11.308 -12.331 1.00 0.00 H new ATOM 0 HB VAL A 4 4.474 -11.929 -13.255 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.039 -14.324 -13.326 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.022 -13.696 -11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.661 -14.676 -12.257 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.559 -13.353 -15.041 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.115 -13.662 -14.049 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.459 -12.016 -14.630 1.00 0.00 H new ATOM 55 N GLN A 5 1.535 -13.063 -10.089 1.00 0.00 N ATOM 56 CA GLN A 5 0.686 -14.055 -9.441 1.00 0.00 C ATOM 57 C GLN A 5 -0.467 -13.381 -8.703 1.00 0.00 C ATOM 58 O GLN A 5 -0.429 -13.225 -7.483 1.00 0.00 O ATOM 59 CB GLN A 5 1.512 -14.905 -8.472 1.00 0.00 C ATOM 60 CG GLN A 5 1.466 -16.395 -8.773 1.00 0.00 C ATOM 61 CD GLN A 5 1.404 -16.687 -10.259 1.00 0.00 C ATOM 62 OE1 GLN A 5 0.324 -16.747 -10.847 1.00 0.00 O ATOM 63 NE2 GLN A 5 2.566 -16.872 -10.876 1.00 0.00 N ATOM 0 H GLN A 5 1.794 -12.276 -9.495 1.00 0.00 H new ATOM 0 HA GLN A 5 0.267 -14.704 -10.210 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.549 -14.569 -8.501 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.151 -14.737 -7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.348 -16.875 -8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.597 -16.834 -8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.438 -16.813 -10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.586 -17.073 -11.876 1.00 0.00 H new ATOM 72 N ASP A 6 -1.488 -12.984 -9.454 1.00 0.00 N ATOM 73 CA ASP A 6 -2.654 -12.325 -8.876 1.00 0.00 C ATOM 74 C ASP A 6 -2.375 -10.845 -8.629 1.00 0.00 C ATOM 75 O ASP A 6 -1.331 -10.326 -9.028 1.00 0.00 O ATOM 76 CB ASP A 6 -3.061 -13.006 -7.568 1.00 0.00 C ATOM 77 CG ASP A 6 -3.140 -14.515 -7.700 1.00 0.00 C ATOM 78 OD1 ASP A 6 -2.075 -15.164 -7.741 1.00 0.00 O ATOM 79 OD2 ASP A 6 -4.268 -15.046 -7.764 1.00 0.00 O ATOM 0 H ASP A 6 -1.532 -13.107 -10.466 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.475 -12.409 -9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.342 -12.750 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.029 -12.621 -7.247 1.00 0.00 H new ATOM 84 N CYS A 7 -3.315 -10.171 -7.975 1.00 0.00 N ATOM 85 CA CYS A 7 -3.170 -8.750 -7.680 1.00 0.00 C ATOM 86 C CYS A 7 -2.624 -8.537 -6.270 1.00 0.00 C ATOM 87 O CYS A 7 -3.132 -9.108 -5.304 1.00 0.00 O ATOM 88 CB CYS A 7 -4.517 -8.036 -7.844 1.00 0.00 C ATOM 89 SG CYS A 7 -5.231 -7.390 -6.295 1.00 0.00 S ATOM 0 H CYS A 7 -4.185 -10.585 -7.639 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.457 -8.325 -8.386 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.392 -7.209 -8.543 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.228 -8.729 -8.294 1.00 0.00 H new ATOM 94 N PRO A 8 -1.579 -7.708 -6.139 1.00 0.00 N ATOM 95 CA PRO A 8 -0.957 -7.411 -4.845 1.00 0.00 C ATOM 96 C PRO A 8 -1.878 -6.602 -3.937 1.00 0.00 C ATOM 97 O PRO A 8 -1.843 -5.372 -3.939 1.00 0.00 O ATOM 98 CB PRO A 8 0.287 -6.587 -5.211 1.00 0.00 C ATOM 99 CG PRO A 8 0.454 -6.741 -6.687 1.00 0.00 C ATOM 100 CD PRO A 8 -0.919 -6.991 -7.237 1.00 0.00 C ATOM 0 HA PRO A 8 -0.727 -8.321 -4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.157 -5.540 -4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.166 -6.948 -4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.892 -5.844 -7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.124 -7.569 -6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.433 -6.061 -7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.888 -7.587 -8.149 1.00 0.00 H new ATOM 108 N GLU A 9 -2.702 -7.300 -3.161 1.00 0.00 N ATOM 109 CA GLU A 9 -3.634 -6.648 -2.246 1.00 0.00 C ATOM 110 C GLU A 9 -2.942 -5.535 -1.462 1.00 0.00 C ATOM 111 O GLU A 9 -2.160 -5.802 -0.549 1.00 0.00 O ATOM 112 CB GLU A 9 -4.239 -7.685 -1.291 1.00 0.00 C ATOM 113 CG GLU A 9 -4.582 -7.148 0.092 1.00 0.00 C ATOM 114 CD GLU A 9 -4.073 -8.046 1.205 1.00 0.00 C ATOM 115 OE1 GLU A 9 -3.294 -8.975 0.905 1.00 0.00 O ATOM 116 OE2 GLU A 9 -4.453 -7.821 2.373 1.00 0.00 O ATOM 0 H GLU A 9 -2.743 -8.319 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.435 -6.196 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.143 -8.092 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.537 -8.512 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.154 -6.152 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.663 -7.043 0.180 1.00 0.00 H new ATOM 123 N CYS A 10 -3.241 -4.289 -1.828 1.00 0.00 N ATOM 124 CA CYS A 10 -2.655 -3.123 -1.165 1.00 0.00 C ATOM 125 C CYS A 10 -1.338 -3.482 -0.487 1.00 0.00 C ATOM 126 O CYS A 10 -1.313 -3.832 0.693 1.00 0.00 O ATOM 127 CB CYS A 10 -3.627 -2.549 -0.130 1.00 0.00 C ATOM 128 SG CYS A 10 -4.172 -0.842 -0.474 1.00 0.00 S ATOM 0 H CYS A 10 -3.888 -4.060 -2.583 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.459 -2.371 -1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.504 -3.194 -0.076 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.152 -2.575 0.851 1.00 0.00 H new ATOM 133 N THR A 11 -0.243 -3.393 -1.234 1.00 0.00 N ATOM 134 CA THR A 11 1.074 -3.707 -0.697 1.00 0.00 C ATOM 135 C THR A 11 2.140 -2.897 -1.412 1.00 0.00 C ATOM 136 O THR A 11 1.827 -1.951 -2.128 1.00 0.00 O ATOM 137 CB THR A 11 1.375 -5.198 -0.846 1.00 0.00 C ATOM 138 OG1 THR A 11 2.718 -5.477 -0.493 1.00 0.00 O ATOM 139 CG2 THR A 11 1.155 -5.711 -2.252 1.00 0.00 C ATOM 0 H THR A 11 -0.242 -3.106 -2.213 1.00 0.00 H new ATOM 0 HA THR A 11 1.080 -3.451 0.363 1.00 0.00 H new ATOM 0 HB THR A 11 0.679 -5.703 -0.176 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.873 -5.214 0.438 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.386 -6.776 -2.291 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.115 -5.555 -2.538 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.806 -5.173 -2.942 1.00 0.00 H new ATOM 147 N LEU A 12 3.397 -3.273 -1.219 1.00 0.00 N ATOM 148 CA LEU A 12 4.505 -2.575 -1.854 1.00 0.00 C ATOM 149 C LEU A 12 5.006 -3.332 -3.067 1.00 0.00 C ATOM 150 O LEU A 12 5.117 -4.559 -3.050 1.00 0.00 O ATOM 151 CB LEU A 12 5.648 -2.373 -0.869 1.00 0.00 C ATOM 152 CG LEU A 12 5.394 -1.312 0.197 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.017 -1.503 0.808 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.472 -1.381 1.263 1.00 0.00 C ATOM 0 H LEU A 12 3.674 -4.057 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 12 4.137 -1.602 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.855 -3.322 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.545 -2.101 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 12 5.428 -0.325 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.847 -0.740 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.259 -1.416 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.956 -2.490 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.284 -0.620 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.461 -2.367 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.446 -1.206 0.807 1.00 0.00 H new ATOM 166 N GLN A 13 5.307 -2.591 -4.120 1.00 0.00 N ATOM 167 CA GLN A 13 5.799 -3.187 -5.349 1.00 0.00 C ATOM 168 C GLN A 13 7.260 -2.877 -5.559 1.00 0.00 C ATOM 169 O GLN A 13 7.652 -2.275 -6.557 1.00 0.00 O ATOM 170 CB GLN A 13 5.009 -2.690 -6.526 1.00 0.00 C ATOM 171 CG GLN A 13 3.519 -2.881 -6.353 1.00 0.00 C ATOM 172 CD GLN A 13 2.830 -3.330 -7.627 1.00 0.00 C ATOM 173 OE1 GLN A 13 2.236 -2.522 -8.342 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.906 -4.624 -7.919 1.00 0.00 N ATOM 0 H GLN A 13 5.219 -1.575 -4.148 1.00 0.00 H new ATOM 0 HA GLN A 13 5.681 -4.267 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.220 -1.632 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.336 -3.213 -7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.341 -3.618 -5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.074 -1.945 -6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.409 -5.258 -7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.462 -4.983 -8.764 1.00 0.00 H new ATOM 183 N GLU A 14 8.036 -3.290 -4.592 1.00 0.00 N ATOM 184 CA GLU A 14 9.483 -3.082 -4.589 1.00 0.00 C ATOM 185 C GLU A 14 9.953 -2.431 -5.876 1.00 0.00 C ATOM 186 O GLU A 14 9.738 -2.944 -6.974 1.00 0.00 O ATOM 187 CB GLU A 14 10.239 -4.387 -4.385 1.00 0.00 C ATOM 188 CG GLU A 14 11.455 -4.245 -3.476 1.00 0.00 C ATOM 189 CD GLU A 14 11.625 -5.433 -2.549 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.146 -6.532 -2.900 1.00 0.00 O ATOM 191 OE2 GLU A 14 12.236 -5.263 -1.473 1.00 0.00 O ATOM 0 H GLU A 14 7.690 -3.786 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 14 9.697 -2.416 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.562 -5.128 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.561 -4.767 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.351 -4.133 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.358 -3.336 -2.883 1.00 0.00 H new ATOM 198 N ASN A 15 10.590 -1.297 -5.715 1.00 0.00 N ATOM 199 CA ASN A 15 11.105 -0.526 -6.829 1.00 0.00 C ATOM 200 C ASN A 15 12.025 -1.353 -7.716 1.00 0.00 C ATOM 201 O ASN A 15 13.078 -1.813 -7.275 1.00 0.00 O ATOM 202 CB ASN A 15 11.850 0.687 -6.311 1.00 0.00 C ATOM 203 CG ASN A 15 11.656 1.906 -7.183 1.00 0.00 C ATOM 204 OD1 ASN A 15 11.662 3.067 -6.554 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 11.503 1.803 -8.401 1.00 0.00 N flip ATOM 0 H ASN A 15 10.769 -0.877 -4.803 1.00 0.00 H new ATOM 0 HA ASN A 15 10.255 -0.211 -7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.512 0.911 -5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.913 0.456 -6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.506 0.882 -8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.373 2.639 -8.971 1.00 0.00 H new ATOM 212 N PRO A 16 11.649 -1.537 -8.989 1.00 0.00 N ATOM 213 CA PRO A 16 12.451 -2.291 -9.946 1.00 0.00 C ATOM 214 C PRO A 16 13.575 -1.442 -10.526 1.00 0.00 C ATOM 215 O PRO A 16 14.194 -1.801 -11.529 1.00 0.00 O ATOM 216 CB PRO A 16 11.438 -2.663 -11.023 1.00 0.00 C ATOM 217 CG PRO A 16 10.452 -1.542 -11.012 1.00 0.00 C ATOM 218 CD PRO A 16 10.416 -1.009 -9.600 1.00 0.00 C ATOM 0 HA PRO A 16 12.946 -3.153 -9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.914 -2.763 -11.998 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.957 -3.616 -10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.746 -0.761 -11.713 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.466 -1.891 -11.319 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.398 0.081 -9.585 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.528 -1.350 -9.067 1.00 0.00 H new ATOM 226 N PHE A 17 13.827 -0.316 -9.873 1.00 0.00 N ATOM 227 CA PHE A 17 14.872 0.609 -10.289 1.00 0.00 C ATOM 228 C PHE A 17 15.903 0.765 -9.184 1.00 0.00 C ATOM 229 O PHE A 17 17.099 0.550 -9.390 1.00 0.00 O ATOM 230 CB PHE A 17 14.273 1.977 -10.611 1.00 0.00 C ATOM 231 CG PHE A 17 15.282 2.965 -11.119 1.00 0.00 C ATOM 232 CD1 PHE A 17 16.167 3.581 -10.249 1.00 0.00 C ATOM 233 CD2 PHE A 17 15.350 3.273 -12.468 1.00 0.00 C ATOM 234 CE1 PHE A 17 17.100 4.487 -10.715 1.00 0.00 C ATOM 235 CE2 PHE A 17 16.281 4.178 -12.940 1.00 0.00 C ATOM 236 CZ PHE A 17 17.158 4.786 -12.061 1.00 0.00 C ATOM 0 H PHE A 17 13.315 -0.019 -9.043 1.00 0.00 H new ATOM 0 HA PHE A 17 15.351 0.205 -11.181 1.00 0.00 H new ATOM 0 HB2 PHE A 17 13.488 1.855 -11.357 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.801 2.379 -9.714 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.127 3.350 -9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 17 14.667 2.800 -13.159 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.784 4.961 -10.026 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.324 4.410 -13.994 1.00 0.00 H new ATOM 0 HZ PHE A 17 17.887 5.494 -12.427 1.00 0.00 H new ATOM 246 N PHE A 18 15.422 1.147 -8.010 1.00 0.00 N ATOM 247 CA PHE A 18 16.278 1.348 -6.851 1.00 0.00 C ATOM 248 C PHE A 18 16.764 0.019 -6.290 1.00 0.00 C ATOM 249 O PHE A 18 17.639 -0.019 -5.427 1.00 0.00 O ATOM 250 CB PHE A 18 15.516 2.110 -5.771 1.00 0.00 C ATOM 251 CG PHE A 18 16.353 3.122 -5.048 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.377 2.718 -4.212 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.116 4.477 -5.210 1.00 0.00 C ATOM 254 CE1 PHE A 18 18.155 3.647 -3.547 1.00 0.00 C ATOM 255 CE2 PHE A 18 16.891 5.411 -4.550 1.00 0.00 C ATOM 256 CZ PHE A 18 17.911 4.996 -3.716 1.00 0.00 C ATOM 0 H PHE A 18 14.433 1.325 -7.835 1.00 0.00 H new ATOM 0 HA PHE A 18 17.146 1.926 -7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.664 2.614 -6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.117 1.398 -5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.571 1.664 -4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 18 15.318 4.807 -5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.952 3.319 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.699 6.465 -4.686 1.00 0.00 H new ATOM 0 HZ PHE A 18 18.516 5.725 -3.197 1.00 0.00 H new ATOM 266 N SER A 19 16.182 -1.068 -6.774 1.00 0.00 N ATOM 267 CA SER A 19 16.551 -2.398 -6.312 1.00 0.00 C ATOM 268 C SER A 19 18.036 -2.672 -6.532 1.00 0.00 C ATOM 269 O SER A 19 18.451 -3.051 -7.627 1.00 0.00 O ATOM 270 CB SER A 19 15.715 -3.462 -7.025 1.00 0.00 C ATOM 271 OG SER A 19 16.271 -3.783 -8.289 1.00 0.00 O ATOM 0 H SER A 19 15.452 -1.055 -7.487 1.00 0.00 H new ATOM 0 HA SER A 19 16.351 -2.443 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.661 -4.360 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.694 -3.102 -7.154 1.00 0.00 H new ATOM 0 HG SER A 19 16.986 -3.148 -8.502 1.00 0.00 H new ATOM 277 N GLN A 20 18.825 -2.496 -5.478 1.00 0.00 N ATOM 278 CA GLN A 20 20.261 -2.744 -5.544 1.00 0.00 C ATOM 279 C GLN A 20 20.655 -3.789 -4.508 1.00 0.00 C ATOM 280 O GLN A 20 19.993 -3.935 -3.483 1.00 0.00 O ATOM 281 CB GLN A 20 21.053 -1.455 -5.301 1.00 0.00 C ATOM 282 CG GLN A 20 20.483 -0.237 -6.009 1.00 0.00 C ATOM 283 CD GLN A 20 21.461 0.925 -6.071 1.00 0.00 C ATOM 284 OE1 GLN A 20 22.596 0.792 -5.392 1.00 0.00 O flip ATOM 285 NE2 GLN A 20 21.195 1.937 -6.721 1.00 0.00 N flip ATOM 0 H GLN A 20 18.494 -2.182 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 20 20.497 -3.111 -6.543 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.086 -1.257 -4.230 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.081 -1.605 -5.629 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.193 -0.515 -7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.577 0.085 -5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.313 2.000 -7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.857 2.712 -6.752 1.00 0.00 H new ATOM 294 N PRO A 21 21.738 -4.535 -4.766 1.00 0.00 N ATOM 295 CA PRO A 21 22.221 -5.573 -3.852 1.00 0.00 C ATOM 296 C PRO A 21 22.248 -5.109 -2.397 1.00 0.00 C ATOM 297 O PRO A 21 23.311 -4.817 -1.849 1.00 0.00 O ATOM 298 CB PRO A 21 23.639 -5.839 -4.355 1.00 0.00 C ATOM 299 CG PRO A 21 23.587 -5.528 -5.811 1.00 0.00 C ATOM 300 CD PRO A 21 22.576 -4.423 -5.973 1.00 0.00 C ATOM 0 HA PRO A 21 21.575 -6.451 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.366 -5.210 -3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 21 23.933 -6.874 -4.181 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.565 -5.216 -6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.297 -6.407 -6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 21 23.057 -3.447 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.988 -4.549 -6.882 1.00 0.00 H new ATOM 308 N GLY A 22 21.073 -5.047 -1.774 1.00 0.00 N ATOM 309 CA GLY A 22 20.994 -4.622 -0.389 1.00 0.00 C ATOM 310 C GLY A 22 19.993 -3.503 -0.161 1.00 0.00 C ATOM 311 O GLY A 22 19.858 -3.011 0.959 1.00 0.00 O ATOM 0 H GLY A 22 20.178 -5.283 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.721 -5.476 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.979 -4.291 -0.061 1.00 0.00 H new ATOM 315 N ALA A 23 19.287 -3.097 -1.214 1.00 0.00 N ATOM 316 CA ALA A 23 18.302 -2.027 -1.090 1.00 0.00 C ATOM 317 C ALA A 23 17.304 -2.048 -2.228 1.00 0.00 C ATOM 318 O ALA A 23 17.564 -1.576 -3.334 1.00 0.00 O ATOM 319 CB ALA A 23 18.992 -0.677 -0.993 1.00 0.00 C ATOM 0 H ALA A 23 19.377 -3.488 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 23 17.743 -2.196 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.242 0.109 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.642 -0.663 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.587 -0.507 -1.890 1.00 0.00 H new ATOM 325 N PRO A 24 16.150 -2.645 -1.943 1.00 0.00 N ATOM 326 CA PRO A 24 15.057 -2.825 -2.865 1.00 0.00 C ATOM 327 C PRO A 24 13.862 -1.929 -2.572 1.00 0.00 C ATOM 328 O PRO A 24 12.888 -2.354 -1.951 1.00 0.00 O ATOM 329 CB PRO A 24 14.716 -4.279 -2.573 1.00 0.00 C ATOM 330 CG PRO A 24 15.023 -4.465 -1.108 1.00 0.00 C ATOM 331 CD PRO A 24 15.821 -3.268 -0.670 1.00 0.00 C ATOM 0 HA PRO A 24 15.310 -2.581 -3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.668 -4.489 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.309 -4.955 -3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.103 -4.548 -0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.586 -5.384 -0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.242 -2.604 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.713 -3.553 -0.112 1.00 0.00 H new ATOM 339 N ILE A 25 13.949 -0.692 -3.027 1.00 0.00 N ATOM 340 CA ILE A 25 12.905 0.281 -2.844 1.00 0.00 C ATOM 341 C ILE A 25 11.521 -0.274 -3.128 1.00 0.00 C ATOM 342 O ILE A 25 11.361 -1.470 -3.348 1.00 0.00 O ATOM 343 CB ILE A 25 13.202 1.476 -3.726 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.426 2.149 -3.177 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.046 2.439 -3.715 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.249 2.470 -1.723 1.00 0.00 C ATOM 0 H ILE A 25 14.758 -0.338 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 25 12.893 0.577 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 25 13.362 1.154 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.293 1.501 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.625 3.064 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.277 3.292 -4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.152 1.938 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.871 2.786 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.148 2.957 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.396 3.137 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.074 1.550 -1.166 1.00 0.00 H new ATOM 358 N LEU A 26 10.507 0.585 -3.040 1.00 0.00 N ATOM 359 CA LEU A 26 9.137 0.143 -3.193 1.00 0.00 C ATOM 360 C LEU A 26 8.207 1.153 -3.820 1.00 0.00 C ATOM 361 O LEU A 26 8.605 2.080 -4.518 1.00 0.00 O ATOM 362 CB LEU A 26 8.653 -0.160 -1.803 1.00 0.00 C ATOM 363 CG LEU A 26 9.770 -0.055 -0.786 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.223 0.227 0.597 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.613 -1.319 -0.779 1.00 0.00 C ATOM 0 H LEU A 26 10.615 1.584 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 26 9.128 -0.710 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.853 0.531 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.229 -1.164 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 26 10.407 0.781 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.047 0.297 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.673 1.168 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.555 -0.581 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.409 -1.221 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.986 -2.173 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.050 -1.471 -1.766 1.00 0.00 H new ATOM 377 N GLN A 27 6.942 0.912 -3.542 1.00 0.00 N ATOM 378 CA GLN A 27 5.847 1.735 -4.029 1.00 0.00 C ATOM 379 C GLN A 27 4.536 0.960 -3.920 1.00 0.00 C ATOM 380 O GLN A 27 4.189 0.161 -4.790 1.00 0.00 O ATOM 381 CB GLN A 27 6.113 2.177 -5.464 1.00 0.00 C ATOM 382 CG GLN A 27 4.934 2.876 -6.121 1.00 0.00 C ATOM 383 CD GLN A 27 3.869 1.908 -6.600 1.00 0.00 C ATOM 384 OE1 GLN A 27 4.164 0.932 -7.289 1.00 0.00 O ATOM 385 NE2 GLN A 27 2.620 2.179 -6.238 1.00 0.00 N ATOM 0 H GLN A 27 6.638 0.129 -2.964 1.00 0.00 H new ATOM 0 HA GLN A 27 5.768 2.633 -3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.972 2.848 -5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.383 1.304 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.491 3.575 -5.412 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.291 3.464 -6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.422 3.000 -5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.859 1.566 -6.532 1.00 0.00 H new ATOM 394 N CYS A 28 3.840 1.189 -2.815 1.00 0.00 N ATOM 395 CA CYS A 28 2.583 0.513 -2.521 1.00 0.00 C ATOM 396 C CYS A 28 1.755 0.279 -3.780 1.00 0.00 C ATOM 397 O CYS A 28 1.221 1.220 -4.366 1.00 0.00 O ATOM 398 CB CYS A 28 1.758 1.315 -1.507 1.00 0.00 C ATOM 399 SG CYS A 28 0.934 0.286 -0.241 1.00 0.00 S ATOM 0 H CYS A 28 4.131 1.850 -2.095 1.00 0.00 H new ATOM 0 HA CYS A 28 2.837 -0.457 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.410 2.032 -1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.002 1.890 -2.042 1.00 0.00 H new ATOM 404 N MET A 29 1.631 -0.984 -4.181 1.00 0.00 N ATOM 405 CA MET A 29 0.844 -1.328 -5.357 1.00 0.00 C ATOM 406 C MET A 29 -0.475 -0.563 -5.346 1.00 0.00 C ATOM 407 O MET A 29 -0.631 0.439 -6.043 1.00 0.00 O ATOM 408 CB MET A 29 0.564 -2.832 -5.397 1.00 0.00 C ATOM 409 CG MET A 29 -0.466 -3.226 -6.443 1.00 0.00 C ATOM 410 SD MET A 29 -0.428 -2.152 -7.890 1.00 0.00 S ATOM 411 CE MET A 29 -2.137 -2.238 -8.415 1.00 0.00 C ATOM 0 H MET A 29 2.063 -1.780 -3.711 1.00 0.00 H new ATOM 0 HA MET A 29 1.415 -1.053 -6.244 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.495 -3.362 -5.597 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.217 -3.156 -4.416 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.287 -4.255 -6.754 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.461 -3.195 -5.998 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.276 -1.623 -9.304 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.395 -3.272 -8.645 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.782 -1.872 -7.616 1.00 0.00 H new ATOM 421 N GLY A 30 -1.416 -1.040 -4.536 1.00 0.00 N ATOM 422 CA GLY A 30 -2.706 -0.385 -4.432 1.00 0.00 C ATOM 423 C GLY A 30 -3.838 -1.202 -5.024 1.00 0.00 C ATOM 424 O GLY A 30 -4.575 -0.721 -5.884 1.00 0.00 O ATOM 0 H GLY A 30 -1.307 -1.868 -3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.921 -0.184 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.659 0.579 -4.938 1.00 0.00 H new ATOM 428 N CYS A 31 -3.987 -2.436 -4.553 1.00 0.00 N ATOM 429 CA CYS A 31 -5.047 -3.318 -5.029 1.00 0.00 C ATOM 430 C CYS A 31 -5.883 -3.820 -3.858 1.00 0.00 C ATOM 431 O CYS A 31 -5.924 -5.018 -3.577 1.00 0.00 O ATOM 432 CB CYS A 31 -4.456 -4.499 -5.797 1.00 0.00 C ATOM 433 SG CYS A 31 -5.682 -5.461 -6.740 1.00 0.00 S ATOM 0 H CYS A 31 -3.385 -2.849 -3.840 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.690 -2.751 -5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.695 -4.128 -6.484 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.954 -5.162 -5.093 1.00 0.00 H new ATOM 438 N CYS A 32 -6.535 -2.892 -3.170 1.00 0.00 N ATOM 439 CA CYS A 32 -7.359 -3.223 -2.015 1.00 0.00 C ATOM 440 C CYS A 32 -8.737 -3.732 -2.423 1.00 0.00 C ATOM 441 O CYS A 32 -9.689 -3.653 -1.645 1.00 0.00 O ATOM 442 CB CYS A 32 -7.519 -1.995 -1.125 1.00 0.00 C ATOM 443 SG CYS A 32 -7.338 -2.335 0.651 1.00 0.00 S ATOM 0 H CYS A 32 -6.508 -1.897 -3.394 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.853 -4.020 -1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.780 -1.249 -1.418 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.502 -1.557 -1.302 1.00 0.00 H new ATOM 448 N PHE A 33 -8.847 -4.254 -3.636 1.00 0.00 N ATOM 449 CA PHE A 33 -10.118 -4.769 -4.119 1.00 0.00 C ATOM 450 C PHE A 33 -11.203 -3.699 -4.034 1.00 0.00 C ATOM 451 O PHE A 33 -11.088 -2.743 -3.268 1.00 0.00 O ATOM 452 CB PHE A 33 -10.531 -5.994 -3.301 1.00 0.00 C ATOM 453 CG PHE A 33 -9.522 -7.106 -3.333 1.00 0.00 C ATOM 454 CD1 PHE A 33 -9.455 -7.963 -4.418 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.638 -7.292 -2.281 1.00 0.00 C ATOM 456 CE1 PHE A 33 -8.529 -8.987 -4.455 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.708 -8.314 -2.312 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.654 -9.163 -3.400 1.00 0.00 C ATOM 0 H PHE A 33 -8.076 -4.332 -4.300 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.997 -5.057 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.694 -5.692 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.483 -6.368 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.135 -7.829 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.677 -6.631 -1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.489 -9.649 -5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.025 -8.448 -1.487 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.929 -9.963 -3.426 1.00 0.00 H new ATOM 468 N SER A 34 -12.257 -3.869 -4.826 1.00 0.00 N ATOM 469 CA SER A 34 -13.366 -2.921 -4.844 1.00 0.00 C ATOM 470 C SER A 34 -14.350 -3.270 -5.955 1.00 0.00 C ATOM 471 O SER A 34 -14.806 -2.399 -6.697 1.00 0.00 O ATOM 472 CB SER A 34 -12.843 -1.493 -5.022 1.00 0.00 C ATOM 473 OG SER A 34 -12.974 -1.062 -6.365 1.00 0.00 O ATOM 0 H SER A 34 -12.367 -4.656 -5.465 1.00 0.00 H new ATOM 0 HA SER A 34 -13.889 -2.983 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.392 -0.818 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.796 -1.447 -4.723 1.00 0.00 H new ATOM 0 HG SER A 34 -13.924 -1.003 -6.599 1.00 0.00 H new ATOM 479 N ARG A 35 -14.672 -4.556 -6.062 1.00 0.00 N ATOM 480 CA ARG A 35 -15.598 -5.039 -7.079 1.00 0.00 C ATOM 481 C ARG A 35 -14.871 -5.299 -8.393 1.00 0.00 C ATOM 482 O ARG A 35 -13.640 -5.330 -8.438 1.00 0.00 O ATOM 483 CB ARG A 35 -16.730 -4.034 -7.303 1.00 0.00 C ATOM 484 CG ARG A 35 -17.265 -3.410 -6.023 1.00 0.00 C ATOM 485 CD ARG A 35 -18.650 -3.938 -5.680 1.00 0.00 C ATOM 486 NE ARG A 35 -19.558 -3.886 -6.824 1.00 0.00 N ATOM 487 CZ ARG A 35 -20.882 -3.902 -6.715 1.00 0.00 C ATOM 488 NH1 ARG A 35 -21.450 -3.965 -5.519 1.00 0.00 N ATOM 489 NH2 ARG A 35 -21.640 -3.853 -7.803 1.00 0.00 N ATOM 0 H ARG A 35 -14.302 -5.285 -5.452 1.00 0.00 H new ATOM 0 HA ARG A 35 -16.025 -5.976 -6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -16.373 -3.241 -7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -17.548 -4.534 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -16.581 -3.621 -5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -17.305 -2.326 -6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -18.568 -4.967 -5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -19.067 -3.354 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 35 -19.152 -3.835 -7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -20.870 -4.001 -4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -22.467 -3.977 -5.437 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -21.206 -3.803 -8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -22.656 -3.865 -7.717 1.00 0.00 H new ATOM 503 N ALA A 36 -15.638 -5.485 -9.461 1.00 0.00 N ATOM 504 CA ALA A 36 -15.066 -5.743 -10.777 1.00 0.00 C ATOM 505 C ALA A 36 -15.336 -4.583 -11.729 1.00 0.00 C ATOM 506 O ALA A 36 -16.487 -4.278 -12.039 1.00 0.00 O ATOM 507 CB ALA A 36 -15.625 -7.035 -11.349 1.00 0.00 C ATOM 0 H ALA A 36 -16.658 -5.462 -9.441 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.987 -5.844 -10.664 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.190 -7.216 -12.332 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.379 -7.863 -10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.708 -6.954 -11.441 1.00 0.00 H new ATOM 513 N TYR A 37 -14.268 -3.942 -12.192 1.00 0.00 N ATOM 514 CA TYR A 37 -14.392 -2.817 -13.112 1.00 0.00 C ATOM 515 C TYR A 37 -15.451 -1.833 -12.625 1.00 0.00 C ATOM 516 O TYR A 37 -16.617 -1.922 -13.011 1.00 0.00 O ATOM 517 CB TYR A 37 -14.753 -3.317 -14.514 1.00 0.00 C ATOM 518 CG TYR A 37 -15.113 -2.211 -15.483 1.00 0.00 C ATOM 519 CD1 TYR A 37 -14.767 -0.891 -15.219 1.00 0.00 C ATOM 520 CD2 TYR A 37 -15.795 -2.487 -16.662 1.00 0.00 C ATOM 521 CE1 TYR A 37 -15.091 0.122 -16.102 1.00 0.00 C ATOM 522 CE2 TYR A 37 -16.122 -1.478 -17.550 1.00 0.00 C ATOM 523 CZ TYR A 37 -15.767 -0.177 -17.265 1.00 0.00 C ATOM 524 OH TYR A 37 -16.092 0.829 -18.147 1.00 0.00 O ATOM 0 H TYR A 37 -13.308 -4.182 -11.946 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.432 -2.303 -13.151 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.911 -3.880 -14.917 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -15.592 -4.008 -14.438 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.236 -0.653 -14.309 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.074 -3.505 -16.889 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.816 1.143 -15.881 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.653 -1.708 -18.462 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.566 0.449 -18.916 1.00 0.00 H new ATOM 534 N PRO A 38 -15.060 -0.874 -11.772 1.00 0.00 N ATOM 535 CA PRO A 38 -15.977 0.128 -11.243 1.00 0.00 C ATOM 536 C PRO A 38 -16.928 0.637 -12.316 1.00 0.00 C ATOM 537 O PRO A 38 -16.511 0.938 -13.434 1.00 0.00 O ATOM 538 CB PRO A 38 -15.051 1.255 -10.753 1.00 0.00 C ATOM 539 CG PRO A 38 -13.652 0.815 -11.068 1.00 0.00 C ATOM 540 CD PRO A 38 -13.704 -0.675 -11.262 1.00 0.00 C ATOM 0 HA PRO A 38 -16.614 -0.271 -10.454 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.285 2.195 -11.252 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.175 1.423 -9.683 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.283 1.310 -11.966 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.972 1.077 -10.258 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.949 -1.020 -11.968 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.537 -1.213 -10.329 1.00 0.00 H new ATOM 548 N THR A 39 -18.208 0.718 -11.977 1.00 0.00 N ATOM 549 CA THR A 39 -19.216 1.176 -12.924 1.00 0.00 C ATOM 550 C THR A 39 -20.349 1.906 -12.217 1.00 0.00 C ATOM 551 O THR A 39 -20.567 3.101 -12.416 1.00 0.00 O ATOM 552 CB THR A 39 -19.750 -0.011 -13.732 1.00 0.00 C ATOM 553 OG1 THR A 39 -18.895 -0.293 -14.826 1.00 0.00 O ATOM 554 CG2 THR A 39 -21.142 0.203 -14.290 1.00 0.00 C ATOM 0 H THR A 39 -18.572 0.473 -11.056 1.00 0.00 H new ATOM 0 HA THR A 39 -18.749 1.885 -13.607 1.00 0.00 H new ATOM 0 HB THR A 39 -19.788 -0.839 -13.024 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.003 0.069 -14.646 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.450 -0.681 -14.849 1.00 0.00 H new ATOM 0 HG22 THR A 39 -21.840 0.375 -13.471 1.00 0.00 H new ATOM 0 HG23 THR A 39 -21.139 1.069 -14.952 1.00 0.00 H new ATOM 562 N PRO A 40 -21.079 1.175 -11.387 1.00 0.00 N ATOM 563 CA PRO A 40 -22.211 1.702 -10.621 1.00 0.00 C ATOM 564 C PRO A 40 -21.771 2.683 -9.538 1.00 0.00 C ATOM 565 O PRO A 40 -21.642 2.318 -8.370 1.00 0.00 O ATOM 566 CB PRO A 40 -22.827 0.447 -9.994 1.00 0.00 C ATOM 567 CG PRO A 40 -21.717 -0.548 -9.957 1.00 0.00 C ATOM 568 CD PRO A 40 -20.842 -0.244 -11.143 1.00 0.00 C ATOM 0 HA PRO A 40 -22.903 2.265 -11.247 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -23.208 0.652 -8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -23.666 0.081 -10.586 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -21.154 -0.469 -9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -22.104 -1.566 -10.009 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -19.792 -0.445 -10.929 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -21.113 -0.850 -12.007 1.00 0.00 H new ATOM 576 N LEU A 41 -21.540 3.930 -9.938 1.00 0.00 N ATOM 577 CA LEU A 41 -21.112 4.968 -9.004 1.00 0.00 C ATOM 578 C LEU A 41 -22.313 5.691 -8.402 1.00 0.00 C ATOM 579 O LEU A 41 -22.344 5.964 -7.202 1.00 0.00 O ATOM 580 CB LEU A 41 -20.205 5.977 -9.713 1.00 0.00 C ATOM 581 CG LEU A 41 -18.749 5.538 -9.885 1.00 0.00 C ATOM 582 CD1 LEU A 41 -18.674 4.056 -10.213 1.00 0.00 C ATOM 583 CD2 LEU A 41 -18.071 6.362 -10.969 1.00 0.00 C ATOM 0 H LEU A 41 -21.642 4.247 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.557 4.487 -8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.623 6.187 -10.698 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -20.222 6.912 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.223 5.707 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.631 3.762 -10.332 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.123 3.481 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.214 3.861 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.036 6.038 -11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.597 6.224 -11.914 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -18.093 7.416 -10.692 1.00 0.00 H new ATOM 595 N ARG A 42 -23.292 6.002 -9.249 1.00 0.00 N ATOM 596 CA ARG A 42 -24.503 6.701 -8.822 1.00 0.00 C ATOM 597 C ARG A 42 -24.700 6.613 -7.311 1.00 0.00 C ATOM 598 O ARG A 42 -24.634 5.532 -6.727 1.00 0.00 O ATOM 599 CB ARG A 42 -25.726 6.131 -9.540 1.00 0.00 C ATOM 600 CG ARG A 42 -25.680 4.623 -9.722 1.00 0.00 C ATOM 601 CD ARG A 42 -26.739 3.929 -8.881 1.00 0.00 C ATOM 602 NE ARG A 42 -27.053 4.683 -7.669 1.00 0.00 N ATOM 603 CZ ARG A 42 -28.274 5.112 -7.355 1.00 0.00 C ATOM 604 NH1 ARG A 42 -29.299 4.871 -8.162 1.00 0.00 N ATOM 605 NH2 ARG A 42 -28.470 5.786 -6.230 1.00 0.00 N ATOM 0 H ARG A 42 -23.269 5.779 -10.244 1.00 0.00 H new ATOM 0 HA ARG A 42 -24.386 7.752 -9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -26.622 6.393 -8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -25.815 6.604 -10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -25.830 4.377 -10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -24.693 4.252 -9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -27.645 3.799 -9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -26.391 2.933 -8.609 1.00 0.00 H new ATOM 0 HE ARG A 42 -26.291 4.893 -7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -29.155 4.354 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -30.231 5.203 -7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -27.686 5.976 -5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -29.405 6.115 -5.989 1.00 0.00 H new ATOM 619 N SER A 43 -24.939 7.762 -6.686 1.00 0.00 N ATOM 620 CA SER A 43 -25.144 7.824 -5.244 1.00 0.00 C ATOM 621 C SER A 43 -25.443 9.253 -4.803 1.00 0.00 C ATOM 622 O SER A 43 -24.639 9.880 -4.113 1.00 0.00 O ATOM 623 CB SER A 43 -23.907 7.304 -4.510 1.00 0.00 C ATOM 624 OG SER A 43 -22.756 7.380 -5.333 1.00 0.00 O ATOM 0 H SER A 43 -24.995 8.665 -7.158 1.00 0.00 H new ATOM 0 HA SER A 43 -25.999 7.195 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 43 -23.748 7.886 -3.602 1.00 0.00 H new ATOM 0 HB3 SER A 43 -24.070 6.271 -4.202 1.00 0.00 H new ATOM 0 HG SER A 43 -22.512 6.481 -5.638 1.00 0.00 H new ATOM 630 N LYS A 44 -26.601 9.764 -5.208 1.00 0.00 N ATOM 631 CA LYS A 44 -27.000 11.122 -4.853 1.00 0.00 C ATOM 632 C LYS A 44 -27.477 11.188 -3.407 1.00 0.00 C ATOM 633 O LYS A 44 -27.358 12.223 -2.751 1.00 0.00 O ATOM 634 CB LYS A 44 -28.100 11.619 -5.791 1.00 0.00 C ATOM 635 CG LYS A 44 -27.934 13.073 -6.203 1.00 0.00 C ATOM 636 CD LYS A 44 -28.835 13.984 -5.387 1.00 0.00 C ATOM 637 CE LYS A 44 -28.187 15.338 -5.144 1.00 0.00 C ATOM 638 NZ LYS A 44 -29.122 16.459 -5.438 1.00 0.00 N ATOM 0 H LYS A 44 -27.278 9.260 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 44 -26.128 11.768 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -28.113 10.996 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -29.066 11.496 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -26.895 13.374 -6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -28.166 13.182 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -29.783 14.121 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -29.062 13.512 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -27.857 15.402 -4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -27.298 15.433 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -28.644 17.365 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -29.417 16.413 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -29.959 16.383 -4.825 1.00 0.00 H new ATOM 652 N LYS A 45 -28.012 10.078 -2.911 1.00 0.00 N ATOM 653 CA LYS A 45 -28.501 10.015 -1.541 1.00 0.00 C ATOM 654 C LYS A 45 -28.117 8.693 -0.887 1.00 0.00 C ATOM 655 O LYS A 45 -28.961 7.818 -0.686 1.00 0.00 O ATOM 656 CB LYS A 45 -30.018 10.204 -1.508 1.00 0.00 C ATOM 657 CG LYS A 45 -30.456 11.625 -1.824 1.00 0.00 C ATOM 658 CD LYS A 45 -31.091 12.295 -0.616 1.00 0.00 C ATOM 659 CE LYS A 45 -30.049 12.686 0.421 1.00 0.00 C ATOM 660 NZ LYS A 45 -28.929 13.464 -0.180 1.00 0.00 N ATOM 0 H LYS A 45 -28.118 9.211 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 45 -28.035 10.822 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -30.477 9.522 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -30.390 9.928 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -29.595 12.207 -2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -31.167 11.612 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -31.637 13.182 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -31.818 11.620 -0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -30.522 13.278 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -29.653 11.787 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -28.586 14.165 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.154 12.818 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -29.265 13.952 -1.035 1.00 0.00 H new ATOM 674 N THR A 46 -26.837 8.556 -0.555 1.00 0.00 N ATOM 675 CA THR A 46 -26.334 7.343 0.078 1.00 0.00 C ATOM 676 C THR A 46 -26.450 7.439 1.596 1.00 0.00 C ATOM 677 O THR A 46 -26.508 6.424 2.289 1.00 0.00 O ATOM 678 CB THR A 46 -24.876 7.099 -0.325 1.00 0.00 C ATOM 679 OG1 THR A 46 -24.268 8.299 -0.764 1.00 0.00 O ATOM 680 CG2 THR A 46 -24.723 6.076 -1.432 1.00 0.00 C ATOM 0 H THR A 46 -26.128 9.272 -0.715 1.00 0.00 H new ATOM 0 HA THR A 46 -26.940 6.503 -0.262 1.00 0.00 H new ATOM 0 HB THR A 46 -24.390 6.716 0.572 1.00 0.00 H new ATOM 0 HG1 THR A 46 -23.337 8.121 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 46 -23.666 5.951 -1.669 1.00 0.00 H new ATOM 0 HG22 THR A 46 -25.137 5.122 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 46 -25.256 6.418 -2.319 1.00 0.00 H new ATOM 688 N MET A 47 -26.487 8.669 2.104 1.00 0.00 N ATOM 689 CA MET A 47 -26.601 8.907 3.541 1.00 0.00 C ATOM 690 C MET A 47 -25.964 7.772 4.335 1.00 0.00 C ATOM 691 O MET A 47 -26.624 6.787 4.665 1.00 0.00 O ATOM 692 CB MET A 47 -28.070 9.060 3.940 1.00 0.00 C ATOM 693 CG MET A 47 -29.041 8.651 2.845 1.00 0.00 C ATOM 694 SD MET A 47 -30.751 8.597 3.415 1.00 0.00 S ATOM 695 CE MET A 47 -30.779 7.014 4.252 1.00 0.00 C ATOM 0 H MET A 47 -26.440 9.518 1.540 1.00 0.00 H new ATOM 0 HA MET A 47 -26.070 9.830 3.772 1.00 0.00 H new ATOM 0 HB2 MET A 47 -28.262 8.458 4.828 1.00 0.00 H new ATOM 0 HB3 MET A 47 -28.258 10.099 4.212 1.00 0.00 H new ATOM 0 HG2 MET A 47 -28.961 9.352 2.014 1.00 0.00 H new ATOM 0 HG3 MET A 47 -28.759 7.670 2.463 1.00 0.00 H new ATOM 0 HE1 MET A 47 -31.568 6.392 3.829 1.00 0.00 H new ATOM 0 HE2 MET A 47 -29.817 6.517 4.123 1.00 0.00 H new ATOM 0 HE3 MET A 47 -30.969 7.167 5.314 1.00 0.00 H new ATOM 705 N LEU A 48 -24.677 7.915 4.638 1.00 0.00 N ATOM 706 CA LEU A 48 -23.960 6.895 5.391 1.00 0.00 C ATOM 707 C LEU A 48 -24.081 7.136 6.892 1.00 0.00 C ATOM 708 O LEU A 48 -23.782 8.221 7.392 1.00 0.00 O ATOM 709 CB LEU A 48 -22.485 6.855 4.977 1.00 0.00 C ATOM 710 CG LEU A 48 -21.629 8.016 5.486 1.00 0.00 C ATOM 711 CD1 LEU A 48 -20.220 7.537 5.798 1.00 0.00 C ATOM 712 CD2 LEU A 48 -21.595 9.141 4.464 1.00 0.00 C ATOM 0 H LEU A 48 -24.113 8.723 4.375 1.00 0.00 H new ATOM 0 HA LEU A 48 -24.413 5.930 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -22.050 5.921 5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -22.431 6.836 3.889 1.00 0.00 H new ATOM 0 HG LEU A 48 -22.076 8.399 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -19.623 8.374 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -20.260 6.763 6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.766 7.130 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -20.982 9.958 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -21.171 8.772 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -22.608 9.501 4.285 1.00 0.00 H new ATOM 724 N VAL A 49 -24.528 6.108 7.603 1.00 0.00 N ATOM 725 CA VAL A 49 -24.699 6.180 9.050 1.00 0.00 C ATOM 726 C VAL A 49 -25.390 4.927 9.580 1.00 0.00 C ATOM 727 O VAL A 49 -25.756 4.848 10.753 1.00 0.00 O ATOM 728 CB VAL A 49 -25.498 7.437 9.460 1.00 0.00 C ATOM 729 CG1 VAL A 49 -26.806 7.064 10.148 1.00 0.00 C ATOM 730 CG2 VAL A 49 -24.657 8.333 10.360 1.00 0.00 C ATOM 0 H VAL A 49 -24.781 5.207 7.197 1.00 0.00 H new ATOM 0 HA VAL A 49 -23.705 6.246 9.492 1.00 0.00 H new ATOM 0 HB VAL A 49 -25.745 7.987 8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -27.344 7.971 10.424 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -27.418 6.471 9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -26.592 6.482 11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -25.235 9.214 10.639 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -24.375 7.784 11.259 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.758 8.643 9.827 1.00 0.00 H new ATOM 740 N GLN A 50 -25.559 3.948 8.703 1.00 0.00 N ATOM 741 CA GLN A 50 -26.197 2.688 9.062 1.00 0.00 C ATOM 742 C GLN A 50 -25.388 1.516 8.515 1.00 0.00 C ATOM 743 O GLN A 50 -24.631 1.669 7.557 1.00 0.00 O ATOM 744 CB GLN A 50 -27.628 2.642 8.519 1.00 0.00 C ATOM 745 CG GLN A 50 -28.624 3.436 9.351 1.00 0.00 C ATOM 746 CD GLN A 50 -28.369 3.314 10.840 1.00 0.00 C ATOM 747 OE1 GLN A 50 -28.134 4.445 11.496 1.00 0.00 O flip ATOM 748 NE2 GLN A 50 -28.386 2.216 11.397 1.00 0.00 N flip ATOM 0 H GLN A 50 -25.260 4.003 7.729 1.00 0.00 H new ATOM 0 HA GLN A 50 -26.235 2.613 10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -27.633 3.026 7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -27.955 1.603 8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -28.576 4.486 9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -29.634 3.090 9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -28.571 1.372 10.855 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -28.215 2.151 12.401 1.00 0.00 H new ATOM 757 N LYS A 51 -25.544 0.348 9.129 1.00 0.00 N ATOM 758 CA LYS A 51 -24.817 -0.839 8.696 1.00 0.00 C ATOM 759 C LYS A 51 -23.429 -0.880 9.332 1.00 0.00 C ATOM 760 O LYS A 51 -22.813 0.158 9.571 1.00 0.00 O ATOM 761 CB LYS A 51 -24.692 -0.860 7.171 1.00 0.00 C ATOM 762 CG LYS A 51 -25.937 -0.365 6.454 1.00 0.00 C ATOM 763 CD LYS A 51 -26.598 -1.474 5.652 1.00 0.00 C ATOM 764 CE LYS A 51 -26.027 -1.560 4.246 1.00 0.00 C ATOM 765 NZ LYS A 51 -25.039 -2.666 4.116 1.00 0.00 N ATOM 0 H LYS A 51 -26.165 0.198 9.925 1.00 0.00 H new ATOM 0 HA LYS A 51 -25.376 -1.718 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -23.843 -0.244 6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -24.476 -1.878 6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -26.645 0.029 7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -25.672 0.457 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -26.457 -2.427 6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -27.672 -1.296 5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -26.838 -1.712 3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -25.550 -0.614 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.673 -2.692 3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.253 -2.509 4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.501 -3.572 4.336 1.00 0.00 H new ATOM 779 N ASN A 52 -22.946 -2.086 9.611 1.00 0.00 N ATOM 780 CA ASN A 52 -21.635 -2.263 10.226 1.00 0.00 C ATOM 781 C ASN A 52 -20.510 -1.972 9.235 1.00 0.00 C ATOM 782 O ASN A 52 -20.685 -2.112 8.026 1.00 0.00 O ATOM 783 CB ASN A 52 -21.497 -3.688 10.763 1.00 0.00 C ATOM 784 CG ASN A 52 -21.828 -4.732 9.715 1.00 0.00 C ATOM 785 OD1 ASN A 52 -20.940 -5.268 9.052 1.00 0.00 O ATOM 786 ND2 ASN A 52 -23.115 -5.025 9.559 1.00 0.00 N ATOM 0 H ASN A 52 -23.443 -2.956 9.421 1.00 0.00 H new ATOM 0 HA ASN A 52 -21.553 -1.553 11.049 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.478 -3.843 11.118 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -22.157 -3.816 11.621 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -23.400 -5.719 8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -23.818 -4.556 10.131 1.00 0.00 H new ATOM 793 N VAL A 53 -19.356 -1.571 9.767 1.00 0.00 N ATOM 794 CA VAL A 53 -18.180 -1.260 8.953 1.00 0.00 C ATOM 795 C VAL A 53 -18.552 -0.889 7.521 1.00 0.00 C ATOM 796 O VAL A 53 -18.916 -1.749 6.717 1.00 0.00 O ATOM 797 CB VAL A 53 -17.189 -2.438 8.918 1.00 0.00 C ATOM 798 CG1 VAL A 53 -16.057 -2.208 9.908 1.00 0.00 C ATOM 799 CG2 VAL A 53 -17.902 -3.751 9.207 1.00 0.00 C ATOM 0 H VAL A 53 -19.209 -1.453 10.769 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.707 -0.400 9.428 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.762 -2.500 7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.365 -3.049 9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.528 -1.291 9.649 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.466 -2.118 10.914 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -17.183 -4.570 9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -18.360 -3.706 10.195 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.674 -3.919 8.456 1.00 0.00 H new ATOM 809 N THR A 54 -18.445 0.399 7.204 1.00 0.00 N ATOM 810 CA THR A 54 -18.758 0.888 5.867 1.00 0.00 C ATOM 811 C THR A 54 -17.505 0.927 4.996 1.00 0.00 C ATOM 812 O THR A 54 -17.446 0.286 3.947 1.00 0.00 O ATOM 813 CB THR A 54 -19.384 2.282 5.948 1.00 0.00 C ATOM 814 OG1 THR A 54 -19.096 2.889 7.195 1.00 0.00 O ATOM 815 CG2 THR A 54 -20.889 2.272 5.780 1.00 0.00 C ATOM 0 H THR A 54 -18.143 1.122 7.857 1.00 0.00 H new ATOM 0 HA THR A 54 -19.473 0.203 5.411 1.00 0.00 H new ATOM 0 HB THR A 54 -18.945 2.845 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.503 3.780 7.227 1.00 0.00 H new ATOM 0 HG21 THR A 54 -21.269 3.291 5.848 1.00 0.00 H new ATOM 0 HG22 THR A 54 -21.144 1.854 4.806 1.00 0.00 H new ATOM 0 HG23 THR A 54 -21.339 1.664 6.565 1.00 0.00 H new ATOM 823 N SER A 55 -16.503 1.681 5.442 1.00 0.00 N ATOM 824 CA SER A 55 -15.247 1.802 4.708 1.00 0.00 C ATOM 825 C SER A 55 -15.498 2.033 3.220 1.00 0.00 C ATOM 826 O SER A 55 -15.349 1.121 2.408 1.00 0.00 O ATOM 827 CB SER A 55 -14.394 0.547 4.902 1.00 0.00 C ATOM 828 OG SER A 55 -14.852 -0.515 4.084 1.00 0.00 O ATOM 0 H SER A 55 -16.537 2.218 6.309 1.00 0.00 H new ATOM 0 HA SER A 55 -14.711 2.665 5.104 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.354 0.771 4.664 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.423 0.242 5.948 1.00 0.00 H new ATOM 0 HG SER A 55 -14.815 -0.243 3.143 1.00 0.00 H new ATOM 834 N GLU A 56 -15.877 3.260 2.869 1.00 0.00 N ATOM 835 CA GLU A 56 -16.146 3.609 1.477 1.00 0.00 C ATOM 836 C GLU A 56 -14.985 4.400 0.878 1.00 0.00 C ATOM 837 O GLU A 56 -15.144 5.079 -0.136 1.00 0.00 O ATOM 838 CB GLU A 56 -17.441 4.421 1.369 1.00 0.00 C ATOM 839 CG GLU A 56 -17.916 4.622 -0.060 1.00 0.00 C ATOM 840 CD GLU A 56 -18.277 6.064 -0.358 1.00 0.00 C ATOM 841 OE1 GLU A 56 -19.137 6.621 0.356 1.00 0.00 O ATOM 842 OE2 GLU A 56 -17.700 6.636 -1.307 1.00 0.00 O ATOM 0 H GLU A 56 -16.004 4.028 3.528 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.260 2.682 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.224 3.917 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.289 5.396 1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.135 4.298 -0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.784 3.989 -0.243 1.00 0.00 H new ATOM 849 N SER A 57 -13.819 4.307 1.510 1.00 0.00 N ATOM 850 CA SER A 57 -12.636 5.014 1.034 1.00 0.00 C ATOM 851 C SER A 57 -11.359 4.348 1.538 1.00 0.00 C ATOM 852 O SER A 57 -10.716 4.837 2.466 1.00 0.00 O ATOM 853 CB SER A 57 -12.675 6.476 1.483 1.00 0.00 C ATOM 854 OG SER A 57 -11.427 7.113 1.262 1.00 0.00 O ATOM 0 H SER A 57 -13.669 3.750 2.351 1.00 0.00 H new ATOM 0 HA SER A 57 -12.636 4.975 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.458 7.005 0.940 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.930 6.528 2.541 1.00 0.00 H new ATOM 0 HG SER A 57 -10.758 6.743 1.875 1.00 0.00 H new ATOM 860 N THR A 58 -10.998 3.227 0.920 1.00 0.00 N ATOM 861 CA THR A 58 -9.797 2.493 1.305 1.00 0.00 C ATOM 862 C THR A 58 -8.541 3.248 0.889 1.00 0.00 C ATOM 863 O THR A 58 -8.598 4.148 0.049 1.00 0.00 O ATOM 864 CB THR A 58 -9.804 1.104 0.668 1.00 0.00 C ATOM 865 OG1 THR A 58 -10.226 1.176 -0.683 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.709 0.126 1.382 1.00 0.00 C ATOM 0 H THR A 58 -11.520 2.807 0.151 1.00 0.00 H new ATOM 0 HA THR A 58 -9.793 2.391 2.390 1.00 0.00 H new ATOM 0 HB THR A 58 -8.778 0.744 0.742 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.223 0.278 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.668 -0.841 0.880 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.379 0.013 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.733 0.500 1.367 1.00 0.00 H new ATOM 874 N CYS A 59 -7.405 2.877 1.474 1.00 0.00 N ATOM 875 CA CYS A 59 -6.139 3.527 1.152 1.00 0.00 C ATOM 876 C CYS A 59 -4.992 3.001 2.014 1.00 0.00 C ATOM 877 O CYS A 59 -5.043 3.062 3.242 1.00 0.00 O ATOM 878 CB CYS A 59 -6.261 5.045 1.324 1.00 0.00 C ATOM 879 SG CYS A 59 -5.854 5.647 2.996 1.00 0.00 S ATOM 0 H CYS A 59 -7.336 2.134 2.169 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.911 3.294 0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.604 5.534 0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.280 5.346 1.081 1.00 0.00 H new ATOM 884 N CYS A 60 -3.948 2.508 1.353 1.00 0.00 N ATOM 885 CA CYS A 60 -2.766 1.997 2.040 1.00 0.00 C ATOM 886 C CYS A 60 -1.579 2.890 1.743 1.00 0.00 C ATOM 887 O CYS A 60 -0.474 2.416 1.482 1.00 0.00 O ATOM 888 CB CYS A 60 -2.459 0.558 1.616 1.00 0.00 C ATOM 889 SG CYS A 60 -2.502 0.280 -0.186 1.00 0.00 S ATOM 0 H CYS A 60 -3.897 2.452 0.336 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.964 1.997 3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.473 0.284 1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.177 -0.110 2.092 1.00 0.00 H new ATOM 894 N VAL A 61 -1.822 4.192 1.797 1.00 0.00 N ATOM 895 CA VAL A 61 -0.778 5.173 1.549 1.00 0.00 C ATOM 896 C VAL A 61 0.355 4.952 2.535 1.00 0.00 C ATOM 897 O VAL A 61 0.496 5.692 3.507 1.00 0.00 O ATOM 898 CB VAL A 61 -1.300 6.616 1.693 1.00 0.00 C ATOM 899 CG1 VAL A 61 -2.334 6.923 0.618 1.00 0.00 C ATOM 900 CG2 VAL A 61 -1.882 6.838 3.080 1.00 0.00 C ATOM 0 H VAL A 61 -2.735 4.593 2.011 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.430 5.043 0.524 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.461 7.299 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.690 7.946 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.880 6.809 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.173 6.234 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.245 7.862 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.708 6.146 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.110 6.665 3.830 1.00 0.00 H new ATOM 910 N ALA A 62 1.141 3.908 2.287 1.00 0.00 N ATOM 911 CA ALA A 62 2.247 3.547 3.160 1.00 0.00 C ATOM 912 C ALA A 62 2.110 4.187 4.534 1.00 0.00 C ATOM 913 O ALA A 62 2.388 5.373 4.718 1.00 0.00 O ATOM 914 CB ALA A 62 3.573 3.913 2.532 1.00 0.00 C ATOM 0 H ALA A 62 1.028 3.294 1.480 1.00 0.00 H new ATOM 0 HA ALA A 62 2.216 2.466 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.384 3.633 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.686 3.383 1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.606 4.987 2.352 1.00 0.00 H new ATOM 920 N LYS A 63 1.709 3.375 5.499 1.00 0.00 N ATOM 921 CA LYS A 63 1.557 3.815 6.870 1.00 0.00 C ATOM 922 C LYS A 63 2.842 4.474 7.317 1.00 0.00 C ATOM 923 O LYS A 63 2.851 5.407 8.120 1.00 0.00 O ATOM 924 CB LYS A 63 1.253 2.609 7.742 1.00 0.00 C ATOM 925 CG LYS A 63 0.882 2.948 9.172 1.00 0.00 C ATOM 926 CD LYS A 63 -0.391 3.776 9.242 1.00 0.00 C ATOM 927 CE LYS A 63 -1.545 2.973 9.820 1.00 0.00 C ATOM 928 NZ LYS A 63 -2.657 3.851 10.284 1.00 0.00 N ATOM 0 H LYS A 63 1.480 2.392 5.350 1.00 0.00 H new ATOM 0 HA LYS A 63 0.740 4.532 6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.435 2.047 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.124 1.954 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.749 2.028 9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.699 3.497 9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.218 4.660 9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.654 4.127 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.920 2.281 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.186 2.371 10.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.424 3.265 10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.307 4.494 11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.017 4.407 9.483 1.00 0.00 H new ATOM 942 N SER A 64 3.924 3.967 6.756 1.00 0.00 N ATOM 943 CA SER A 64 5.253 4.462 7.027 1.00 0.00 C ATOM 944 C SER A 64 6.068 4.381 5.749 1.00 0.00 C ATOM 945 O SER A 64 5.798 3.541 4.891 1.00 0.00 O ATOM 946 CB SER A 64 5.914 3.640 8.128 1.00 0.00 C ATOM 947 OG SER A 64 6.958 4.363 8.754 1.00 0.00 O ATOM 0 H SER A 64 3.900 3.192 6.093 1.00 0.00 H new ATOM 0 HA SER A 64 5.198 5.496 7.367 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.168 3.357 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.310 2.716 7.707 1.00 0.00 H new ATOM 0 HG SER A 64 7.362 3.812 9.456 1.00 0.00 H new ATOM 953 N TYR A 65 7.050 5.251 5.605 1.00 0.00 N ATOM 954 CA TYR A 65 7.862 5.244 4.402 1.00 0.00 C ATOM 955 C TYR A 65 9.331 5.379 4.709 1.00 0.00 C ATOM 956 O TYR A 65 9.726 5.789 5.799 1.00 0.00 O ATOM 957 CB TYR A 65 7.462 6.391 3.479 1.00 0.00 C ATOM 958 CG TYR A 65 7.059 7.647 4.213 1.00 0.00 C ATOM 959 CD1 TYR A 65 5.778 7.789 4.722 1.00 0.00 C ATOM 960 CD2 TYR A 65 7.960 8.688 4.395 1.00 0.00 C ATOM 961 CE1 TYR A 65 5.400 8.934 5.394 1.00 0.00 C ATOM 962 CE2 TYR A 65 7.591 9.839 5.068 1.00 0.00 C ATOM 963 CZ TYR A 65 6.310 9.957 5.566 1.00 0.00 C ATOM 964 OH TYR A 65 5.938 11.099 6.237 1.00 0.00 O ATOM 0 H TYR A 65 7.302 5.960 6.293 1.00 0.00 H new ATOM 0 HA TYR A 65 7.688 4.284 3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.296 6.620 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.634 6.067 2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.063 6.990 4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.963 8.598 4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.397 9.029 5.783 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.302 10.641 5.203 1.00 0.00 H new ATOM 0 HH TYR A 65 6.696 11.720 6.272 1.00 0.00 H new ATOM 974 N ASN A 66 10.135 5.068 3.709 1.00 0.00 N ATOM 975 CA ASN A 66 11.575 5.196 3.831 1.00 0.00 C ATOM 976 C ASN A 66 12.101 5.863 2.586 1.00 0.00 C ATOM 977 O ASN A 66 13.249 5.698 2.177 1.00 0.00 O ATOM 978 CB ASN A 66 12.214 3.840 4.055 1.00 0.00 C ATOM 979 CG ASN A 66 13.724 3.874 3.921 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.310 3.091 3.173 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.362 4.785 4.646 1.00 0.00 N ATOM 0 H ASN A 66 9.815 4.725 2.803 1.00 0.00 H new ATOM 0 HA ASN A 66 11.827 5.809 4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.950 3.478 5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.806 3.128 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.378 4.856 4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.836 5.414 5.253 1.00 0.00 H new ATOM 988 N ARG A 67 11.198 6.622 2.017 1.00 0.00 N ATOM 989 CA ARG A 67 11.418 7.392 0.799 1.00 0.00 C ATOM 990 C ARG A 67 12.885 7.415 0.384 1.00 0.00 C ATOM 991 O ARG A 67 13.776 7.681 1.191 1.00 0.00 O ATOM 992 CB ARG A 67 10.908 8.816 1.002 1.00 0.00 C ATOM 993 CG ARG A 67 11.244 9.371 2.368 1.00 0.00 C ATOM 994 CD ARG A 67 11.150 10.888 2.397 1.00 0.00 C ATOM 995 NE ARG A 67 12.463 11.519 2.276 1.00 0.00 N ATOM 996 CZ ARG A 67 12.966 12.371 3.169 1.00 0.00 C ATOM 997 NH1 ARG A 67 12.264 12.717 4.241 1.00 0.00 N ATOM 998 NH2 ARG A 67 14.175 12.884 2.986 1.00 0.00 N ATOM 0 H ARG A 67 10.256 6.730 2.394 1.00 0.00 H new ATOM 0 HA ARG A 67 10.866 6.907 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.337 9.463 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.827 8.833 0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.565 8.950 3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.251 9.063 2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.508 11.227 1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.680 11.205 3.328 1.00 0.00 H new ATOM 0 HE ARG A 67 13.029 11.293 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.332 12.330 4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.657 13.370 4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.719 12.626 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.561 13.536 3.669 1.00 0.00 H new ATOM 1012 N VAL A 68 13.114 7.143 -0.895 1.00 0.00 N ATOM 1013 CA VAL A 68 14.459 7.131 -1.462 1.00 0.00 C ATOM 1014 C VAL A 68 14.468 7.756 -2.851 1.00 0.00 C ATOM 1015 O VAL A 68 15.080 7.233 -3.779 1.00 0.00 O ATOM 1016 CB VAL A 68 15.028 5.696 -1.547 1.00 0.00 C ATOM 1017 CG1 VAL A 68 14.681 4.903 -0.298 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.517 4.967 -2.786 1.00 0.00 C ATOM 0 H VAL A 68 12.377 6.925 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 68 15.090 7.718 -0.795 1.00 0.00 H new ATOM 0 HB VAL A 68 16.112 5.779 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.092 3.897 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.105 5.397 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.598 4.845 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.936 3.961 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.429 4.906 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.820 5.512 -3.680 1.00 0.00 H new ATOM 1028 N THR A 69 13.778 8.878 -2.977 1.00 0.00 N ATOM 1029 CA THR A 69 13.678 9.592 -4.247 1.00 0.00 C ATOM 1030 C THR A 69 14.644 9.037 -5.289 1.00 0.00 C ATOM 1031 O THR A 69 15.860 9.058 -5.098 1.00 0.00 O ATOM 1032 CB THR A 69 13.943 11.079 -4.061 1.00 0.00 C ATOM 1033 OG1 THR A 69 12.922 11.679 -3.284 1.00 0.00 O ATOM 1034 CG2 THR A 69 14.022 11.818 -5.380 1.00 0.00 C ATOM 0 H THR A 69 13.273 9.320 -2.209 1.00 0.00 H new ATOM 0 HA THR A 69 12.659 9.447 -4.606 1.00 0.00 H new ATOM 0 HB THR A 69 14.905 11.154 -3.553 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.112 12.634 -3.175 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.212 12.875 -5.194 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.831 11.404 -5.981 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.079 11.708 -5.916 1.00 0.00 H new ATOM 1042 N VAL A 70 14.093 8.545 -6.390 1.00 0.00 N ATOM 1043 CA VAL A 70 14.900 7.987 -7.471 1.00 0.00 C ATOM 1044 C VAL A 70 14.755 8.778 -8.758 1.00 0.00 C ATOM 1045 O VAL A 70 14.197 9.875 -8.781 1.00 0.00 O ATOM 1046 CB VAL A 70 14.530 6.527 -7.782 1.00 0.00 C ATOM 1047 CG1 VAL A 70 15.777 5.654 -7.839 1.00 0.00 C ATOM 1048 CG2 VAL A 70 13.533 5.988 -6.765 1.00 0.00 C ATOM 0 H VAL A 70 13.088 8.520 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 70 15.928 8.040 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 70 14.054 6.501 -8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.491 4.626 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.443 6.022 -8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.290 5.689 -6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.288 4.954 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.971 6.033 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.625 6.591 -6.790 1.00 0.00 H new ATOM 1058 N MET A 71 15.272 8.190 -9.828 1.00 0.00 N ATOM 1059 CA MET A 71 15.228 8.794 -11.153 1.00 0.00 C ATOM 1060 C MET A 71 15.190 10.312 -11.058 1.00 0.00 C ATOM 1061 O MET A 71 15.875 10.909 -10.227 1.00 0.00 O ATOM 1062 CB MET A 71 14.011 8.291 -11.935 1.00 0.00 C ATOM 1063 CG MET A 71 13.498 6.946 -11.465 1.00 0.00 C ATOM 1064 SD MET A 71 13.498 5.704 -12.772 1.00 0.00 S ATOM 1065 CE MET A 71 11.812 5.106 -12.668 1.00 0.00 C ATOM 0 H MET A 71 15.734 7.281 -9.802 1.00 0.00 H new ATOM 0 HA MET A 71 16.135 8.501 -11.683 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.209 9.025 -11.853 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.272 8.221 -12.991 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.115 6.596 -10.637 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.485 7.063 -11.081 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.768 4.077 -13.025 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.475 5.146 -11.632 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.166 5.731 -13.284 1.00 0.00 H new ATOM 1075 N GLY A 72 14.380 10.935 -11.905 1.00 0.00 N ATOM 1076 CA GLY A 72 14.266 12.375 -11.888 1.00 0.00 C ATOM 1077 C GLY A 72 13.566 12.891 -10.642 1.00 0.00 C ATOM 1078 O GLY A 72 13.218 14.068 -10.561 1.00 0.00 O ATOM 0 H GLY A 72 13.801 10.466 -12.602 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.261 12.815 -11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.717 12.703 -12.771 1.00 0.00 H new ATOM 1082 N GLY A 73 13.355 12.005 -9.673 1.00 0.00 N ATOM 1083 CA GLY A 73 12.693 12.390 -8.444 1.00 0.00 C ATOM 1084 C GLY A 73 11.550 11.457 -8.099 1.00 0.00 C ATOM 1085 O GLY A 73 10.411 11.894 -7.924 1.00 0.00 O ATOM 0 H GLY A 73 13.633 11.025 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.416 12.394 -7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.314 13.408 -8.540 1.00 0.00 H new ATOM 1089 N PHE A 74 11.852 10.167 -8.009 1.00 0.00 N ATOM 1090 CA PHE A 74 10.843 9.165 -7.692 1.00 0.00 C ATOM 1091 C PHE A 74 10.830 8.855 -6.204 1.00 0.00 C ATOM 1092 O PHE A 74 11.743 8.217 -5.682 1.00 0.00 O ATOM 1093 CB PHE A 74 11.090 7.885 -8.482 1.00 0.00 C ATOM 1094 CG PHE A 74 10.786 8.022 -9.948 1.00 0.00 C ATOM 1095 CD1 PHE A 74 11.141 9.172 -10.639 1.00 0.00 C ATOM 1096 CD2 PHE A 74 10.141 7.006 -10.632 1.00 0.00 C ATOM 1097 CE1 PHE A 74 10.858 9.303 -11.985 1.00 0.00 C ATOM 1098 CE2 PHE A 74 9.854 7.132 -11.978 1.00 0.00 C ATOM 1099 CZ PHE A 74 10.213 8.282 -12.655 1.00 0.00 C ATOM 0 H PHE A 74 12.789 9.791 -8.151 1.00 0.00 H new ATOM 0 HA PHE A 74 9.872 9.574 -7.971 1.00 0.00 H new ATOM 0 HB2 PHE A 74 12.131 7.587 -8.360 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.478 7.085 -8.065 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.644 9.974 -10.119 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.859 6.105 -10.108 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.141 10.202 -12.512 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.350 6.332 -12.500 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.989 8.382 -13.707 1.00 0.00 H new ATOM 1109 N LYS A 75 9.782 9.307 -5.531 1.00 0.00 N ATOM 1110 CA LYS A 75 9.640 9.088 -4.099 1.00 0.00 C ATOM 1111 C LYS A 75 8.765 7.876 -3.807 1.00 0.00 C ATOM 1112 O LYS A 75 7.536 7.951 -3.850 1.00 0.00 O ATOM 1113 CB LYS A 75 9.060 10.331 -3.429 1.00 0.00 C ATOM 1114 CG LYS A 75 10.015 11.511 -3.434 1.00 0.00 C ATOM 1115 CD LYS A 75 9.381 12.747 -2.823 1.00 0.00 C ATOM 1116 CE LYS A 75 9.252 12.617 -1.314 1.00 0.00 C ATOM 1117 NZ LYS A 75 7.897 13.005 -0.837 1.00 0.00 N ATOM 0 H LYS A 75 9.015 9.829 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 75 10.631 8.893 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.139 10.615 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.794 10.091 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.917 11.252 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.322 11.727 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.983 13.623 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.396 12.907 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.460 11.588 -1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.001 13.245 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.850 12.902 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.708 13.994 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.184 12.390 -1.278 1.00 0.00 H new ATOM 1131 N VAL A 76 9.418 6.765 -3.500 1.00 0.00 N ATOM 1132 CA VAL A 76 8.732 5.518 -3.183 1.00 0.00 C ATOM 1133 C VAL A 76 8.406 5.462 -1.730 1.00 0.00 C ATOM 1134 O VAL A 76 8.064 4.407 -1.197 1.00 0.00 O ATOM 1135 CB VAL A 76 9.640 4.317 -3.486 1.00 0.00 C ATOM 1136 CG1 VAL A 76 9.885 4.197 -4.982 1.00 0.00 C ATOM 1137 CG2 VAL A 76 10.937 4.542 -2.724 1.00 0.00 C ATOM 0 H VAL A 76 10.435 6.701 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 76 7.825 5.480 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 76 9.176 3.382 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.530 3.341 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.934 4.060 -5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.367 5.105 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.617 3.710 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.400 5.470 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.725 4.607 -1.657 1.00 0.00 H new ATOM 1147 N GLU A 77 8.562 6.594 -1.090 1.00 0.00 N ATOM 1148 CA GLU A 77 8.341 6.668 0.342 1.00 0.00 C ATOM 1149 C GLU A 77 8.706 5.308 0.885 1.00 0.00 C ATOM 1150 O GLU A 77 8.017 4.738 1.725 1.00 0.00 O ATOM 1151 CB GLU A 77 6.882 7.007 0.642 1.00 0.00 C ATOM 1152 CG GLU A 77 6.703 8.233 1.515 1.00 0.00 C ATOM 1153 CD GLU A 77 6.418 9.485 0.710 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.722 9.495 -0.502 1.00 0.00 O ATOM 1155 OE2 GLU A 77 5.891 10.457 1.290 1.00 0.00 O ATOM 0 H GLU A 77 8.839 7.472 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 77 8.942 7.451 0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.355 7.163 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.414 6.153 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.884 8.061 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.603 8.385 2.110 1.00 0.00 H new ATOM 1162 N ASN A 78 9.780 4.781 0.292 1.00 0.00 N ATOM 1163 CA ASN A 78 10.263 3.444 0.563 1.00 0.00 C ATOM 1164 C ASN A 78 9.425 2.829 1.652 1.00 0.00 C ATOM 1165 O ASN A 78 9.860 2.628 2.786 1.00 0.00 O ATOM 1166 CB ASN A 78 11.746 3.386 0.888 1.00 0.00 C ATOM 1167 CG ASN A 78 12.187 1.946 0.893 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.002 1.234 -0.091 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.770 1.500 1.982 1.00 0.00 N ATOM 0 H ASN A 78 10.339 5.285 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 78 10.158 2.862 -0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.316 3.952 0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.937 3.843 1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.906 2.122 2.779 1.00 0.00 H new ATOM 1174 N HIS A 79 8.186 2.600 1.274 1.00 0.00 N ATOM 1175 CA HIS A 79 7.172 2.077 2.152 1.00 0.00 C ATOM 1176 C HIS A 79 7.668 1.047 3.128 1.00 0.00 C ATOM 1177 O HIS A 79 8.143 -0.027 2.766 1.00 0.00 O ATOM 1178 CB HIS A 79 6.027 1.524 1.334 1.00 0.00 C ATOM 1179 CG HIS A 79 5.426 2.583 0.501 1.00 0.00 C ATOM 1180 ND1 HIS A 79 5.764 3.884 0.429 1.00 0.00 N flip ATOM 1181 CD2 HIS A 79 4.402 2.394 -0.382 1.00 0.00 C flip ATOM 1182 CE1 HIS A 79 4.950 4.517 -0.506 1.00 0.00 C flip ATOM 1183 NE2 HIS A 79 4.148 3.574 -0.969 1.00 0.00 N flip ATOM 0 H HIS A 79 7.852 2.777 0.327 1.00 0.00 H new ATOM 0 HA HIS A 79 6.835 2.914 2.763 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.385 0.713 0.699 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.271 1.101 1.996 1.00 0.00 H new ATOM 0 HD1 HIS A 79 6.500 4.334 0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.889 1.463 -0.574 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.970 5.558 -0.792 1.00 0.00 H new ATOM 1191 N THR A 80 7.505 1.392 4.381 1.00 0.00 N ATOM 1192 CA THR A 80 7.883 0.516 5.468 1.00 0.00 C ATOM 1193 C THR A 80 6.630 -0.030 6.158 1.00 0.00 C ATOM 1194 O THR A 80 6.716 -0.916 7.008 1.00 0.00 O ATOM 1195 CB THR A 80 8.793 1.259 6.445 1.00 0.00 C ATOM 1196 OG1 THR A 80 8.050 1.826 7.507 1.00 0.00 O ATOM 1197 CG2 THR A 80 9.574 2.371 5.776 1.00 0.00 C ATOM 0 H THR A 80 7.108 2.284 4.678 1.00 0.00 H new ATOM 0 HA THR A 80 8.442 -0.334 5.077 1.00 0.00 H new ATOM 0 HB THR A 80 9.490 0.512 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.657 2.294 8.118 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.205 2.867 6.513 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.199 1.953 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.881 3.094 5.346 1.00 0.00 H new ATOM 1205 N ALA A 81 5.461 0.493 5.763 1.00 0.00 N ATOM 1206 CA ALA A 81 4.190 0.052 6.314 1.00 0.00 C ATOM 1207 C ALA A 81 3.038 0.620 5.488 1.00 0.00 C ATOM 1208 O ALA A 81 2.922 1.829 5.343 1.00 0.00 O ATOM 1209 CB ALA A 81 4.069 0.482 7.767 1.00 0.00 C ATOM 0 H ALA A 81 5.379 1.226 5.059 1.00 0.00 H new ATOM 0 HA ALA A 81 4.144 -1.036 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.113 0.146 8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.880 0.041 8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.127 1.569 7.831 1.00 0.00 H new ATOM 1215 N CYS A 82 2.194 -0.259 4.947 1.00 0.00 N ATOM 1216 CA CYS A 82 1.046 0.167 4.140 1.00 0.00 C ATOM 1217 C CYS A 82 -0.251 -0.308 4.798 1.00 0.00 C ATOM 1218 O CYS A 82 -0.446 -1.508 4.997 1.00 0.00 O ATOM 1219 CB CYS A 82 1.141 -0.396 2.720 1.00 0.00 C ATOM 1220 SG CYS A 82 1.880 0.747 1.499 1.00 0.00 S ATOM 0 H CYS A 82 2.282 -1.270 5.052 1.00 0.00 H new ATOM 0 HA CYS A 82 1.049 1.255 4.081 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.731 -1.312 2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.141 -0.670 2.384 1.00 0.00 H new ATOM 1225 N HIS A 83 -1.127 0.629 5.152 1.00 0.00 N ATOM 1226 CA HIS A 83 -2.388 0.276 5.810 1.00 0.00 C ATOM 1227 C HIS A 83 -3.597 0.801 5.055 1.00 0.00 C ATOM 1228 O HIS A 83 -3.774 2.010 4.899 1.00 0.00 O ATOM 1229 CB HIS A 83 -2.406 0.790 7.245 1.00 0.00 C ATOM 1230 CG HIS A 83 -1.228 0.319 8.018 1.00 0.00 C ATOM 1231 ND1 HIS A 83 0.053 0.182 7.633 1.00 0.00 N flip ATOM 1232 CD2 HIS A 83 -1.289 -0.108 9.327 1.00 0.00 C flip ATOM 1233 CE1 HIS A 83 0.749 -0.329 8.700 1.00 0.00 C flip ATOM 1234 NE2 HIS A 83 -0.086 -0.492 9.712 1.00 0.00 N flip ATOM 0 H HIS A 83 -0.992 1.628 4.998 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.450 -0.812 5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.424 1.880 7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.320 0.458 7.738 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.178 -0.126 9.940 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.804 -0.560 8.711 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.158 -0.853 10.634 1.00 0.00 H new ATOM 1243 N CYS A 84 -4.430 -0.123 4.598 1.00 0.00 N ATOM 1244 CA CYS A 84 -5.634 0.224 3.860 1.00 0.00 C ATOM 1245 C CYS A 84 -6.751 0.661 4.800 1.00 0.00 C ATOM 1246 O CYS A 84 -7.155 -0.087 5.689 1.00 0.00 O ATOM 1247 CB CYS A 84 -6.097 -0.975 3.040 1.00 0.00 C ATOM 1248 SG CYS A 84 -6.769 -0.545 1.409 1.00 0.00 S ATOM 0 H CYS A 84 -4.292 -1.125 4.727 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.398 1.057 3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.257 -1.656 2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.858 -1.515 3.604 1.00 0.00 H new ATOM 1253 N SER A 85 -7.250 1.874 4.593 1.00 0.00 N ATOM 1254 CA SER A 85 -8.327 2.411 5.417 1.00 0.00 C ATOM 1255 C SER A 85 -8.414 3.923 5.267 1.00 0.00 C ATOM 1256 O SER A 85 -7.415 4.587 4.989 1.00 0.00 O ATOM 1257 CB SER A 85 -8.110 2.045 6.887 1.00 0.00 C ATOM 1258 OG SER A 85 -9.016 2.739 7.726 1.00 0.00 O ATOM 0 H SER A 85 -6.926 2.505 3.860 1.00 0.00 H new ATOM 0 HA SER A 85 -9.265 1.971 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.237 0.971 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.087 2.283 7.177 1.00 0.00 H new ATOM 0 HG SER A 85 -8.857 2.486 8.659 1.00 0.00 H new ATOM 1264 N THR A 86 -9.612 4.465 5.449 1.00 0.00 N ATOM 1265 CA THR A 86 -9.821 5.902 5.331 1.00 0.00 C ATOM 1266 C THR A 86 -8.620 6.670 5.872 1.00 0.00 C ATOM 1267 O THR A 86 -8.113 6.368 6.953 1.00 0.00 O ATOM 1268 CB THR A 86 -11.086 6.317 6.080 1.00 0.00 C ATOM 1269 OG1 THR A 86 -12.126 5.380 5.865 1.00 0.00 O ATOM 1270 CG2 THR A 86 -11.601 7.680 5.671 1.00 0.00 C ATOM 0 H THR A 86 -10.451 3.933 5.678 1.00 0.00 H new ATOM 0 HA THR A 86 -9.939 6.143 4.274 1.00 0.00 H new ATOM 0 HB THR A 86 -10.802 6.355 7.132 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.927 5.662 6.354 1.00 0.00 H new ATOM 0 HG21 THR A 86 -12.501 7.915 6.240 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.838 8.432 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.836 7.676 4.607 1.00 0.00 H new ATOM 1278 N CYS A 87 -8.169 7.663 5.114 1.00 0.00 N ATOM 1279 CA CYS A 87 -7.029 8.475 5.519 1.00 0.00 C ATOM 1280 C CYS A 87 -7.403 9.953 5.541 1.00 0.00 C ATOM 1281 O CYS A 87 -8.418 10.354 4.972 1.00 0.00 O ATOM 1282 CB CYS A 87 -5.849 8.248 4.572 1.00 0.00 C ATOM 1283 SG CYS A 87 -6.325 7.621 2.926 1.00 0.00 S ATOM 0 H CYS A 87 -8.576 7.925 4.216 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.737 8.174 6.525 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -5.310 9.187 4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -5.158 7.542 5.032 1.00 0.00 H new ATOM 1288 N TYR A 88 -6.579 10.761 6.200 1.00 0.00 N ATOM 1289 CA TYR A 88 -6.831 12.193 6.289 1.00 0.00 C ATOM 1290 C TYR A 88 -5.741 12.894 7.092 1.00 0.00 C ATOM 1291 O TYR A 88 -6.031 13.705 7.971 1.00 0.00 O ATOM 1292 CB TYR A 88 -8.198 12.456 6.923 1.00 0.00 C ATOM 1293 CG TYR A 88 -9.026 13.476 6.173 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -9.291 13.324 4.818 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -9.539 14.592 6.821 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -10.044 14.257 4.129 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -10.294 15.529 6.139 1.00 0.00 C ATOM 1298 CZ TYR A 88 -10.543 15.357 4.794 1.00 0.00 C ATOM 1299 OH TYR A 88 -11.293 16.290 4.113 1.00 0.00 O ATOM 0 H TYR A 88 -5.734 10.449 6.679 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.824 12.597 5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.752 11.518 6.975 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.054 12.799 7.948 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.903 12.463 4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.345 14.731 7.874 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.240 14.125 3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.687 16.391 6.658 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.568 17.001 4.729 1.00 0.00 H new ATOM 1309 N TYR A 89 -4.488 12.575 6.777 1.00 0.00 N ATOM 1310 CA TYR A 89 -3.343 13.171 7.461 1.00 0.00 C ATOM 1311 C TYR A 89 -3.721 13.647 8.858 1.00 0.00 C ATOM 1312 O TYR A 89 -4.064 14.812 9.055 1.00 0.00 O ATOM 1313 CB TYR A 89 -2.788 14.338 6.644 1.00 0.00 C ATOM 1314 CG TYR A 89 -1.697 13.933 5.681 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -0.622 13.164 6.106 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -1.744 14.317 4.347 1.00 0.00 C ATOM 1317 CE1 TYR A 89 0.378 12.789 5.228 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -0.749 13.946 3.463 1.00 0.00 C ATOM 1319 CZ TYR A 89 0.309 13.182 3.908 1.00 0.00 C ATOM 1320 OH TYR A 89 1.304 12.812 3.032 1.00 0.00 O ATOM 0 H TYR A 89 -4.239 11.905 6.050 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.575 12.404 7.559 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -3.602 14.800 6.085 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.399 15.095 7.325 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -0.566 12.854 7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.572 14.915 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 89 1.209 12.192 5.574 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.800 14.253 2.429 1.00 0.00 H new ATOM 0 HH TYR A 89 1.105 13.168 2.141 1.00 0.00 H new ATOM 1330 N HIS A 90 -3.655 12.739 9.825 1.00 0.00 N ATOM 1331 CA HIS A 90 -3.990 13.068 11.204 1.00 0.00 C ATOM 1332 C HIS A 90 -2.758 13.545 11.964 1.00 0.00 C ATOM 1333 O HIS A 90 -2.856 14.402 12.843 1.00 0.00 O ATOM 1334 CB HIS A 90 -4.601 11.854 11.903 1.00 0.00 C ATOM 1335 CG HIS A 90 -3.582 10.932 12.495 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -2.695 10.203 11.732 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -3.305 10.627 13.784 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -1.918 9.489 12.524 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -2.267 9.727 13.775 1.00 0.00 N ATOM 0 H HIS A 90 -3.373 11.770 9.679 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.720 13.877 11.193 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -5.271 12.197 12.692 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.209 11.300 11.187 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.806 11.018 14.657 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.130 8.823 12.204 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.836 9.310 14.600 1.00 0.00 H new ATOM 1348 N LYS A 91 -1.601 12.984 11.614 1.00 0.00 N ATOM 1349 CA LYS A 91 -0.334 13.343 12.252 1.00 0.00 C ATOM 1350 C LYS A 91 -0.548 14.294 13.425 1.00 0.00 C ATOM 1351 O LYS A 91 -0.198 15.473 13.355 1.00 0.00 O ATOM 1352 CB LYS A 91 0.605 13.980 11.228 1.00 0.00 C ATOM 1353 CG LYS A 91 1.772 14.732 11.849 1.00 0.00 C ATOM 1354 CD LYS A 91 1.768 16.198 11.443 1.00 0.00 C ATOM 1355 CE LYS A 91 2.991 16.927 11.975 1.00 0.00 C ATOM 1356 NZ LYS A 91 2.853 17.268 13.418 1.00 0.00 N ATOM 0 H LYS A 91 -1.515 12.274 10.887 1.00 0.00 H new ATOM 0 HA LYS A 91 0.116 12.429 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.994 13.201 10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.034 14.667 10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.720 14.654 12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.710 14.270 11.540 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.741 16.275 10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.865 16.678 11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.875 16.305 11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.148 17.840 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.708 17.764 13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.025 17.883 13.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.729 16.396 13.971 1.00 0.00 H new ATOM 1370 N SER A 92 -1.128 13.773 14.501 1.00 0.00 N ATOM 1371 CA SER A 92 -1.392 14.571 15.691 1.00 0.00 C ATOM 1372 C SER A 92 -0.632 14.021 16.894 1.00 0.00 C ATOM 1373 O SER A 92 -0.779 12.817 17.185 1.00 0.00 O ATOM 1374 CB SER A 92 -2.892 14.598 15.990 1.00 0.00 C ATOM 1375 OG SER A 92 -3.160 15.298 17.192 1.00 0.00 O ATOM 1376 OXT SER A 92 0.109 14.800 17.530 1.00 0.00 O ATOM 0 H SER A 92 -1.424 12.800 14.573 1.00 0.00 H new ATOM 0 HA SER A 92 -1.048 15.588 15.500 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.422 15.072 15.164 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.269 13.578 16.068 1.00 0.00 H new ATOM 0 HG SER A 92 -4.126 15.302 17.360 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.069 0.098 2.090 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.556 -0.109 2.359 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.851 -1.583 2.584 1.00 0.00 C HETATM 1386 C4 NAG A 178 13.936 -2.146 3.655 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.483 -1.853 3.312 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.516 -2.305 4.385 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.208 1.343 1.365 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.971 1.780 0.124 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.322 0.362 1.221 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.201 -1.729 2.995 1.00 0.00 O HETATM 1393 O4 NAG A 178 14.123 -3.569 3.750 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.277 -0.450 3.147 1.00 0.00 O HETATM 1395 O6 NAG A 178 11.930 -1.871 5.671 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.424 1.896 2.444 1.00 0.00 O HETATM 0 HO6 NAG A 178 11.285 -2.177 6.343 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.397 -2.678 3.143 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.180 -0.062 0.304 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.535 0.936 -0.273 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.268 2.133 -0.630 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.658 2.585 0.384 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.522 -1.913 4.170 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.439 -3.392 4.373 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.290 -2.405 2.392 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.180 -1.677 4.608 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.682 -2.127 1.654 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.834 0.451 3.252 1.00 0.00 H new HETATM 1410 C1 NAG A 179 13.844 -4.131 4.984 1.00 0.00 C HETATM 1411 C2 NAG A 179 13.734 -5.637 4.848 1.00 0.00 C HETATM 1412 C3 NAG A 179 13.480 -6.265 6.200 1.00 0.00 C HETATM 1413 C4 NAG A 179 14.517 -5.806 7.203 1.00 0.00 C HETATM 1414 C5 NAG A 179 14.637 -4.285 7.216 1.00 0.00 C HETATM 1415 C6 NAG A 179 15.778 -3.802 8.091 1.00 0.00 C HETATM 1416 C7 NAG A 179 12.873 -6.524 2.781 1.00 0.00 C HETATM 1417 C8 NAG A 179 11.699 -6.667 1.825 1.00 0.00 C HETATM 1418 N2 NAG A 179 12.636 -5.955 3.957 1.00 0.00 N HETATM 1419 O3 NAG A 179 13.544 -7.679 6.075 1.00 0.00 O HETATM 1420 O4 NAG A 179 14.111 -6.239 8.508 1.00 0.00 O HETATM 1421 O5 NAG A 179 14.886 -3.771 5.894 1.00 0.00 O HETATM 1422 O6 NAG A 179 17.005 -4.421 7.731 1.00 0.00 O HETATM 1423 O7 NAG A 179 13.988 -6.929 2.447 1.00 0.00 O HETATM 0 HO6 NAG A 179 17.722 -4.089 8.311 1.00 0.00 H new HETATM 0 HO3 NAG A 179 13.382 -8.092 6.949 1.00 0.00 H new HETATM 0 HN2 NAG A 179 11.678 -5.741 4.234 1.00 0.00 H new HETATM 0 H83 NAG A 179 10.923 -7.276 2.290 1.00 0.00 H new HETATM 0 H82 NAG A 179 11.296 -5.681 1.593 1.00 0.00 H new HETATM 0 H81 NAG A 179 12.035 -7.147 0.906 1.00 0.00 H new HETATM 0 H62 NAG A 179 15.874 -2.720 8.001 1.00 0.00 H new HETATM 0 H61 NAG A 179 15.553 -4.016 9.136 1.00 0.00 H new HETATM 0 H5 NAG A 179 13.686 -3.924 7.609 1.00 0.00 H new HETATM 0 H4 NAG A 179 15.482 -6.231 6.925 1.00 0.00 H new HETATM 0 H3 NAG A 179 12.494 -5.961 6.551 1.00 0.00 H new HETATM 0 H2 NAG A 179 14.667 -6.029 4.444 1.00 0.00 H new HETATM 1437 C1 BMA A 180 15.120 -6.589 9.380 1.00 0.00 C HETATM 1438 C2 BMA A 180 14.535 -6.752 10.771 1.00 0.00 C HETATM 1439 C3 BMA A 180 15.585 -7.269 11.736 1.00 0.00 C HETATM 1440 C4 BMA A 180 16.261 -8.510 11.173 1.00 0.00 C HETATM 1441 C5 BMA A 180 16.776 -8.249 9.766 1.00 0.00 C HETATM 1442 C6 BMA A 180 17.368 -9.485 9.122 1.00 0.00 C HETATM 1443 O2 BMA A 180 13.458 -7.677 10.721 1.00 0.00 O HETATM 1444 O3 BMA A 180 14.941 -7.601 12.980 1.00 0.00 O HETATM 1445 O4 BMA A 180 17.355 -8.860 12.009 1.00 0.00 O HETATM 1446 O5 BMA A 180 15.713 -7.802 8.908 1.00 0.00 O HETATM 1447 O6 BMA A 180 17.897 -9.152 7.825 1.00 0.00 O HETATM 0 HO4 BMA A 180 17.593 -9.799 11.861 1.00 0.00 H new HETATM 0 HO2 BMA A 180 13.475 -8.242 11.522 1.00 0.00 H new HETATM 0 H62 BMA A 180 18.157 -9.893 9.753 1.00 0.00 H new HETATM 0 H61 BMA A 180 16.605 -10.258 9.027 1.00 0.00 H new HETATM 0 H5 BMA A 180 17.549 -7.488 9.875 1.00 0.00 H new HETATM 0 H4 BMA A 180 15.534 -9.321 11.136 1.00 0.00 H new HETATM 0 H3 BMA A 180 16.342 -6.500 11.891 1.00 0.00 H new HETATM 0 H2 BMA A 180 14.184 -5.780 11.118 1.00 0.00 H new HETATM 1457 C1 MAN A 181 15.228 -6.745 14.047 1.00 0.00 C HETATM 1458 C2 MAN A 181 16.696 -6.902 14.415 1.00 0.00 C HETATM 1459 C3 MAN A 181 16.957 -8.285 14.991 1.00 0.00 C HETATM 1460 C4 MAN A 181 15.999 -8.575 16.136 1.00 0.00 C HETATM 1461 C5 MAN A 181 14.559 -8.350 15.698 1.00 0.00 C HETATM 1462 C6 MAN A 181 13.577 -8.488 16.846 1.00 0.00 C HETATM 1463 O2 MAN A 181 17.049 -5.910 15.403 1.00 0.00 O HETATM 1464 O3 MAN A 181 18.291 -8.348 15.472 1.00 0.00 O HETATM 1465 O4 MAN A 181 16.153 -9.927 16.544 1.00 0.00 O HETATM 1466 O5 MAN A 181 14.389 -7.026 15.162 1.00 0.00 O HETATM 1467 O6 MAN A 181 13.616 -9.795 17.403 1.00 0.00 O HETATM 0 HO6 MAN A 181 12.975 -9.855 18.142 1.00 0.00 H new HETATM 0 HO4 MAN A 181 15.314 -10.248 16.936 1.00 0.00 H new HETATM 0 HO3 MAN A 181 18.799 -7.583 15.129 1.00 0.00 H new HETATM 0 H62 MAN A 181 13.810 -7.754 17.617 1.00 0.00 H new HETATM 0 H61 MAN A 181 12.569 -8.270 16.493 1.00 0.00 H new HETATM 0 H5 MAN A 181 14.357 -9.113 14.946 1.00 0.00 H new HETATM 0 H4 MAN A 181 16.227 -7.902 16.963 1.00 0.00 H new HETATM 0 H3 MAN A 181 16.805 -9.027 14.207 1.00 0.00 H new HETATM 0 H2 MAN A 181 17.297 -6.771 13.515 1.00 0.00 H new HETATM 1478 C1 MAN A 182 17.365 -9.974 6.828 1.00 0.00 C HETATM 1479 C2 MAN A 182 17.836 -11.399 7.064 1.00 0.00 C HETATM 1480 C3 MAN A 182 19.331 -11.526 6.819 1.00 0.00 C HETATM 1481 C4 MAN A 182 19.688 -10.988 5.447 1.00 0.00 C HETATM 1482 C5 MAN A 182 19.160 -9.572 5.277 1.00 0.00 C HETATM 1483 C6 MAN A 182 19.373 -9.042 3.874 1.00 0.00 C HETATM 1484 O2 MAN A 182 17.145 -12.261 6.148 1.00 0.00 O HETATM 1485 O3 MAN A 182 19.700 -12.896 6.893 1.00 0.00 O HETATM 1486 O4 MAN A 182 21.101 -10.982 5.302 1.00 0.00 O HETATM 1487 O5 MAN A 182 17.743 -9.518 5.531 1.00 0.00 O HETATM 1488 O6 MAN A 182 18.866 -7.724 3.737 1.00 0.00 O HETATM 0 HO6 MAN A 182 18.142 -7.583 4.382 1.00 0.00 H new HETATM 0 HO4 MAN A 182 21.332 -10.951 4.350 1.00 0.00 H new HETATM 0 HO3 MAN A 182 18.928 -13.455 6.667 1.00 0.00 H new HETATM 0 H62 MAN A 182 20.437 -9.051 3.638 1.00 0.00 H new HETATM 0 H61 MAN A 182 18.882 -9.699 3.156 1.00 0.00 H new HETATM 0 H5 MAN A 182 19.715 -8.963 5.991 1.00 0.00 H new HETATM 0 H4 MAN A 182 19.235 -11.626 4.688 1.00 0.00 H new HETATM 0 H3 MAN A 182 19.865 -10.951 7.575 1.00 0.00 H new HETATM 0 H2 MAN A 182 17.628 -11.674 8.098 1.00 0.00 H new HETATM 1499 C1 NAG A 183 16.137 -13.046 6.676 1.00 0.00 C HETATM 1500 C2 NAG A 183 15.560 -13.916 5.555 1.00 0.00 C HETATM 1501 C3 NAG A 183 14.547 -14.900 6.113 1.00 0.00 C HETATM 1502 C4 NAG A 183 15.160 -15.688 7.253 1.00 0.00 C HETATM 1503 C5 NAG A 183 15.738 -14.744 8.292 1.00 0.00 C HETATM 1504 C6 NAG A 183 16.445 -15.478 9.415 1.00 0.00 C HETATM 1505 C7 NAG A 183 15.481 -12.860 3.403 1.00 0.00 C HETATM 1506 C8 NAG A 183 15.002 -11.668 2.591 1.00 0.00 C HETATM 1507 N2 NAG A 183 14.913 -13.057 4.585 1.00 0.00 N HETATM 1508 O3 NAG A 183 14.143 -15.793 5.085 1.00 0.00 O HETATM 1509 O4 NAG A 183 14.149 -16.510 7.866 1.00 0.00 O HETATM 1510 O5 NAG A 183 16.706 -13.864 7.697 1.00 0.00 O HETATM 1511 O6 NAG A 183 17.029 -14.570 10.337 1.00 0.00 O HETATM 1512 O7 NAG A 183 16.363 -13.592 2.953 1.00 0.00 O HETATM 0 HO6 NAG A 183 17.219 -13.722 9.885 1.00 0.00 H new HETATM 0 HO3 NAG A 183 13.370 -16.313 5.389 1.00 0.00 H new HETATM 0 HN2 NAG A 183 14.026 -12.606 4.810 1.00 0.00 H new HETATM 0 H83 NAG A 183 13.936 -11.771 2.387 1.00 0.00 H new HETATM 0 H82 NAG A 183 15.177 -10.751 3.153 1.00 0.00 H new HETATM 0 H81 NAG A 183 15.549 -11.626 1.649 1.00 0.00 H new HETATM 0 H62 NAG A 183 15.735 -16.122 9.935 1.00 0.00 H new HETATM 0 H61 NAG A 183 17.218 -16.125 9.000 1.00 0.00 H new HETATM 0 H5 NAG A 183 14.888 -14.191 8.693 1.00 0.00 H new HETATM 0 H4 NAG A 183 15.959 -16.316 6.859 1.00 0.00 H new HETATM 0 H3 NAG A 183 13.683 -14.350 6.485 1.00 0.00 H new HETATM 0 H2 NAG A 183 16.367 -14.478 5.085 1.00 0.00 H new HETATM 1526 C1 NAG A 184 18.076 -5.046 15.057 1.00 0.00 C HETATM 1527 C2 NAG A 184 18.620 -4.365 16.311 1.00 0.00 C HETATM 1528 C3 NAG A 184 19.809 -3.493 15.963 1.00 0.00 C HETATM 1529 C4 NAG A 184 20.851 -4.295 15.206 1.00 0.00 C HETATM 1530 C5 NAG A 184 20.226 -5.016 14.017 1.00 0.00 C HETATM 1531 C6 NAG A 184 21.198 -5.962 13.340 1.00 0.00 C HETATM 1532 C7 NAG A 184 17.246 -3.726 18.183 1.00 0.00 C HETATM 1533 C8 NAG A 184 16.306 -2.708 18.807 1.00 0.00 C HETATM 1534 N2 NAG A 184 17.588 -3.541 16.912 1.00 0.00 N HETATM 1535 O3 NAG A 184 20.385 -2.992 17.161 1.00 0.00 O HETATM 1536 O4 NAG A 184 21.884 -3.403 14.734 1.00 0.00 O HETATM 1537 O5 NAG A 184 19.098 -5.817 14.425 1.00 0.00 O HETATM 1538 O6 NAG A 184 22.445 -5.334 13.080 1.00 0.00 O HETATM 1539 O7 NAG A 184 17.656 -4.675 18.854 1.00 0.00 O HETATM 0 HO6 NAG A 184 23.048 -5.972 12.645 1.00 0.00 H new HETATM 0 HO3 NAG A 184 21.156 -2.428 16.942 1.00 0.00 H new HETATM 0 HN2 NAG A 184 17.125 -2.820 16.359 1.00 0.00 H new HETATM 0 H83 NAG A 184 16.764 -1.720 18.771 1.00 0.00 H new HETATM 0 H82 NAG A 184 15.367 -2.693 18.254 1.00 0.00 H new HETATM 0 H81 NAG A 184 16.111 -2.980 19.844 1.00 0.00 H new HETATM 0 H62 NAG A 184 21.355 -6.836 13.972 1.00 0.00 H new HETATM 0 H61 NAG A 184 20.767 -6.318 12.404 1.00 0.00 H new HETATM 0 H5 NAG A 184 19.925 -4.226 13.328 1.00 0.00 H new HETATM 0 H4 NAG A 184 21.274 -5.041 15.879 1.00 0.00 H new HETATM 0 H3 NAG A 184 19.472 -2.669 15.334 1.00 0.00 H new HETATM 0 H2 NAG A 184 18.933 -5.136 17.015 1.00 0.00 H new HETATM 1553 C1 GAL A 185 21.746 -2.876 13.450 1.00 0.00 C HETATM 1554 C2 GAL A 185 20.649 -1.817 13.430 1.00 0.00 C HETATM 1555 C3 GAL A 185 20.601 -1.120 12.081 1.00 0.00 C HETATM 1556 C4 GAL A 185 21.976 -0.611 11.690 1.00 0.00 C HETATM 1557 C5 GAL A 185 23.002 -1.729 11.773 1.00 0.00 C HETATM 1558 C6 GAL A 185 24.409 -1.242 11.500 1.00 0.00 C HETATM 1559 O2 GAL A 185 19.394 -2.436 13.666 1.00 0.00 O HETATM 1560 O3 GAL A 185 19.702 -0.023 12.153 1.00 0.00 O HETATM 1561 O4 GAL A 185 22.354 0.432 12.575 1.00 0.00 O HETATM 1562 O5 GAL A 185 23.016 -2.317 13.085 1.00 0.00 O HETATM 1563 O6 GAL A 185 24.789 -0.225 12.417 1.00 0.00 O HETATM 0 HO6 GAL A 185 25.702 0.070 12.218 1.00 0.00 H new HETATM 0 HO4 GAL A 185 23.234 0.234 12.957 1.00 0.00 H new HETATM 0 HO3 GAL A 185 20.184 0.776 12.453 1.00 0.00 H new HETATM 0 HO2 GAL A 185 18.687 -1.757 13.655 1.00 0.00 H new HETATM 0 H62 GAL A 185 25.106 -2.077 11.571 1.00 0.00 H new HETATM 0 H61 GAL A 185 24.473 -0.859 10.482 1.00 0.00 H new HETATM 0 H5 GAL A 185 22.707 -2.454 11.015 1.00 0.00 H new HETATM 0 H4 GAL A 185 21.937 -0.243 10.665 1.00 0.00 H new HETATM 0 H3 GAL A 185 20.265 -1.835 11.330 1.00 0.00 H new HETATM 0 H2 GAL A 185 20.864 -1.082 14.205 1.00 0.00 H new HETATM 1575 C1 GAL A 186 14.490 -17.840 8.055 1.00 0.00 C HETATM 1576 C2 GAL A 186 14.686 -18.514 6.705 1.00 0.00 C HETATM 1577 C3 GAL A 186 15.196 -19.932 6.886 1.00 0.00 C HETATM 1578 C4 GAL A 186 16.424 -19.946 7.776 1.00 0.00 C HETATM 1579 C5 GAL A 186 16.146 -19.218 9.084 1.00 0.00 C HETATM 1580 C6 GAL A 186 17.384 -19.105 9.951 1.00 0.00 C HETATM 1581 O2 GAL A 186 13.443 -18.551 6.019 1.00 0.00 O HETATM 1582 O3 GAL A 186 15.534 -20.475 5.618 1.00 0.00 O HETATM 1583 O4 GAL A 186 17.493 -19.297 7.102 1.00 0.00 O HETATM 1584 O5 GAL A 186 15.689 -17.876 8.839 1.00 0.00 O HETATM 1585 O6 GAL A 186 17.899 -20.386 10.282 1.00 0.00 O HETATM 0 HO6 GAL A 186 18.698 -20.283 10.840 1.00 0.00 H new HETATM 0 HO4 GAL A 186 17.492 -18.343 7.328 1.00 0.00 H new HETATM 0 HO3 GAL A 186 16.465 -20.253 5.405 1.00 0.00 H new HETATM 0 HO2 GAL A 186 13.563 -18.983 5.148 1.00 0.00 H new HETATM 0 H62 GAL A 186 18.146 -18.528 9.427 1.00 0.00 H new HETATM 0 H61 GAL A 186 17.143 -18.560 10.864 1.00 0.00 H new HETATM 0 H5 GAL A 186 15.385 -19.809 9.594 1.00 0.00 H new HETATM 0 H4 GAL A 186 16.687 -20.980 7.997 1.00 0.00 H new HETATM 0 H3 GAL A 186 14.413 -20.529 7.354 1.00 0.00 H new HETATM 0 H2 GAL A 186 15.419 -17.947 6.131 1.00 0.00 H new