USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot -70:sc= 1.24 USER MOD Set 1.2: A 95 CYS SG : rot -73:sc= 0.315 USER MOD Set 2.1: A 32 CYS SG : rot 170:sc= 0.833 USER MOD Set 2.2: A 44 CYS SG : rot -87:sc= -4.32! USER MOD Set 2.3: A 55 ASN :FLIP amide:sc= -1.64 F(o=-7.5!,f=-5.1) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc=-0.00323 USER MOD Set 3.2: A 52 CYS SG : rot 180:sc= -2.82! USER MOD Set 3.3: A 67 ASN : amide:sc= -0.859 K(o=-3.7,f=-6.7!) USER MOD Set 4.1: A 8 CYS SG : rot 163:sc= 1.6 USER MOD Set 4.2: A 11 THR OG1 : rot 19:sc= 0.681 USER MOD Set 4.3: A 20 CYS SG : rot 8:sc= 0.663 USER MOD Set 4.4: A 89 TYR OH : rot -104:sc= 1.37 USER MOD Single : A 5 LYS NZ :NH3+ -149:sc= 1.19 (180deg=0.982) USER MOD Single : A 6 HIS : no HD1:sc= -3.5 K(o=-3.5,f=-5.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.23! X(o=-1.2!,f=-1) USER MOD Single : A 27 THR OG1 : rot 108:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 0.79 (180deg=0.746) USER MOD Single : A 36 TYR OH : rot -102:sc= 1.26 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.12 (180deg=-0.518) USER MOD Single : A 42 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.8!) USER MOD Single : A 43 THR OG1 : rot -160:sc= -0.757 USER MOD Single : A 47 ASN : amide:sc= -1.51 K(o=-1.5,f=-9.2!) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Single : A 56 ASN : amide:sc= -3.64! C(o=-3.6!,f=-4.2!) USER MOD Single : A 59 CYS SG : rot 180:sc= -5.58! USER MOD Single : A 64 SER OG : rot -170:sc= 0.0258 USER MOD Single : A 65 CYS SG : rot 145:sc= -2.43 USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 70 SER OG : rot -161:sc= -1.78! USER MOD Single : A 71 THR OG1 : rot 115:sc= 1.28 USER MOD Single : A 73 ASN :FLIP amide:sc= -5.1! C(o=-6!,f=-5.1!) USER MOD Single : A 74 SER OG : rot 32:sc= 1.08 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 147:sc= 1.21 (180deg=0.926) USER MOD Single : A 79 CYS SG : rot 100:sc= -2.53! USER MOD Single : A 80 THR OG1 : rot 97:sc= 0.526 USER MOD Single : A 81 CYS SG : rot 18:sc= -2.39! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -14:sc= 0.599 USER MOD Single : A 87 ASN :FLIP amide:sc= -2.42 F(o=-3.3!,f=-2.4) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -150:sc= 0 USER MOD Single : A 97 SER OG : rot -60:sc= 0.0501 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.190 -8.646 3.647 1.00 0.00 N ATOM 27 CA ASP A 3 -11.717 -8.757 2.294 1.00 0.00 C ATOM 28 C ASP A 3 -11.655 -7.419 1.564 1.00 0.00 C ATOM 29 O ASP A 3 -12.532 -6.584 1.698 1.00 0.00 O ATOM 30 CB ASP A 3 -13.149 -9.306 2.300 1.00 0.00 C ATOM 31 CG ASP A 3 -14.110 -8.532 3.184 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.751 -8.207 4.333 1.00 0.00 O ATOM 33 OD2 ASP A 3 -15.248 -8.281 2.745 1.00 0.00 O ATOM 0 HA ASP A 3 -11.086 -9.464 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.531 -9.304 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.126 -10.345 2.630 1.00 0.00 H new ATOM 38 N PRO A 4 -10.583 -7.247 0.776 1.00 0.00 N ATOM 39 CA PRO A 4 -10.285 -6.094 -0.094 1.00 0.00 C ATOM 40 C PRO A 4 -11.450 -5.405 -0.810 1.00 0.00 C ATOM 41 O PRO A 4 -11.259 -4.295 -1.283 1.00 0.00 O ATOM 42 CB PRO A 4 -9.418 -6.767 -1.153 1.00 0.00 C ATOM 43 CG PRO A 4 -8.659 -7.811 -0.437 1.00 0.00 C ATOM 44 CD PRO A 4 -9.441 -8.165 0.783 1.00 0.00 C ATOM 0 HA PRO A 4 -9.871 -5.283 0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.030 -7.200 -1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.748 -6.049 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.517 -8.686 -1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.667 -7.449 -0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.769 -9.204 0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.842 -8.044 1.686 1.00 0.00 H new ATOM 52 N LYS A 5 -12.619 -6.040 -0.908 1.00 0.00 N ATOM 53 CA LYS A 5 -13.832 -5.467 -1.566 1.00 0.00 C ATOM 54 C LYS A 5 -14.167 -3.995 -1.176 1.00 0.00 C ATOM 55 O LYS A 5 -15.185 -3.458 -1.602 1.00 0.00 O ATOM 56 CB LYS A 5 -15.024 -6.348 -1.209 1.00 0.00 C ATOM 57 CG LYS A 5 -15.294 -6.352 0.280 1.00 0.00 C ATOM 58 CD LYS A 5 -16.336 -5.308 0.671 1.00 0.00 C ATOM 59 CE LYS A 5 -16.526 -5.209 2.180 1.00 0.00 C ATOM 60 NZ LYS A 5 -17.075 -6.455 2.769 1.00 0.00 N ATOM 0 H LYS A 5 -12.769 -6.977 -0.534 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.618 -5.447 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.909 -5.994 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.837 -7.367 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.638 -7.340 0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.366 -6.158 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.035 -4.335 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.289 -5.558 0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.569 -4.981 2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.196 -4.379 2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.656 -6.220 3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.661 -6.944 2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.293 -7.076 3.059 1.00 0.00 H new ATOM 74 N HIS A 6 -13.317 -3.376 -0.375 1.00 0.00 N ATOM 75 CA HIS A 6 -13.537 -2.057 0.214 1.00 0.00 C ATOM 76 C HIS A 6 -13.595 -0.961 -0.846 1.00 0.00 C ATOM 77 O HIS A 6 -14.089 0.132 -0.582 1.00 0.00 O ATOM 78 CB HIS A 6 -12.388 -1.714 1.161 1.00 0.00 C ATOM 79 CG HIS A 6 -12.113 -2.697 2.248 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.290 -2.424 3.316 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.521 -3.965 2.409 1.00 0.00 C ATOM 82 CE1 HIS A 6 -11.211 -3.489 4.084 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.958 -4.440 3.564 1.00 0.00 N ATOM 0 H HIS A 6 -12.424 -3.788 -0.105 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.490 -2.101 0.741 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.480 -1.595 0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.599 -0.747 1.619 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.176 -4.513 1.747 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.630 -3.570 4.991 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.094 -5.372 3.955 1.00 0.00 H new ATOM 92 N VAL A 7 -13.040 -1.273 -2.022 1.00 0.00 N ATOM 93 CA VAL A 7 -12.974 -0.358 -3.187 1.00 0.00 C ATOM 94 C VAL A 7 -12.378 0.997 -2.866 1.00 0.00 C ATOM 95 O VAL A 7 -11.680 1.155 -1.878 1.00 0.00 O ATOM 96 CB VAL A 7 -14.351 -0.200 -3.884 1.00 0.00 C ATOM 97 CG1 VAL A 7 -14.973 -1.562 -4.117 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.303 0.691 -3.102 1.00 0.00 C ATOM 0 H VAL A 7 -12.614 -2.182 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.289 -0.840 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.175 0.290 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.939 -1.442 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.317 -2.158 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.111 -2.067 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.251 0.767 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.475 0.262 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.867 1.684 -2.995 1.00 0.00 H new ATOM 108 N CYS A 8 -12.530 1.918 -3.807 1.00 0.00 N ATOM 109 CA CYS A 8 -12.161 3.305 -3.607 1.00 0.00 C ATOM 110 C CYS A 8 -12.997 4.179 -4.525 1.00 0.00 C ATOM 111 O CYS A 8 -13.365 3.762 -5.624 1.00 0.00 O ATOM 112 CB CYS A 8 -10.663 3.516 -3.839 1.00 0.00 C ATOM 113 SG CYS A 8 -10.160 3.564 -5.576 1.00 0.00 S ATOM 0 H CYS A 8 -12.914 1.720 -4.731 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.362 3.587 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.365 4.450 -3.364 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.117 2.716 -3.340 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.976 4.093 -5.671 1.00 0.00 H new ATOM 119 N VAL A 9 -13.321 5.376 -4.063 1.00 0.00 N ATOM 120 CA VAL A 9 -14.281 6.223 -4.759 1.00 0.00 C ATOM 121 C VAL A 9 -13.678 7.577 -5.102 1.00 0.00 C ATOM 122 O VAL A 9 -13.679 8.004 -6.255 1.00 0.00 O ATOM 123 CB VAL A 9 -15.540 6.456 -3.892 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.637 7.138 -4.695 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.038 5.151 -3.288 1.00 0.00 C ATOM 0 H VAL A 9 -12.935 5.784 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.553 5.704 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.262 7.119 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.511 7.290 -4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.278 8.102 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.909 6.511 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -16.924 5.345 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.289 4.453 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.258 4.719 -2.661 1.00 0.00 H new ATOM 135 N ASP A 10 -13.166 8.237 -4.081 1.00 0.00 N ATOM 136 CA ASP A 10 -12.686 9.607 -4.188 1.00 0.00 C ATOM 137 C ASP A 10 -11.177 9.679 -4.027 1.00 0.00 C ATOM 138 O ASP A 10 -10.468 10.019 -4.974 1.00 0.00 O ATOM 139 CB ASP A 10 -13.381 10.476 -3.138 1.00 0.00 C ATOM 140 CG ASP A 10 -13.686 9.721 -1.858 1.00 0.00 C ATOM 141 OD1 ASP A 10 -12.944 8.768 -1.522 1.00 0.00 O ATOM 142 OD2 ASP A 10 -14.675 10.069 -1.182 1.00 0.00 O ATOM 0 H ASP A 10 -13.070 7.838 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.926 9.981 -5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.749 11.334 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -14.310 10.867 -3.554 1.00 0.00 H new ATOM 147 N THR A 11 -10.698 9.356 -2.831 1.00 0.00 N ATOM 148 CA THR A 11 -9.265 9.300 -2.539 1.00 0.00 C ATOM 149 C THR A 11 -8.539 10.568 -2.993 1.00 0.00 C ATOM 150 O THR A 11 -7.493 10.519 -3.642 1.00 0.00 O ATOM 151 CB THR A 11 -8.633 8.030 -3.145 1.00 0.00 C ATOM 152 OG1 THR A 11 -8.886 7.939 -4.554 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.198 6.798 -2.448 1.00 0.00 C ATOM 0 H THR A 11 -11.291 9.125 -2.034 1.00 0.00 H new ATOM 0 HA THR A 11 -9.149 9.247 -1.456 1.00 0.00 H new ATOM 0 HB THR A 11 -7.555 8.085 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.144 8.820 -4.898 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.751 5.901 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.968 6.845 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.279 6.766 -2.585 1.00 0.00 H new ATOM 161 N ARG A 12 -9.118 11.709 -2.630 1.00 0.00 N ATOM 162 CA ARG A 12 -8.526 13.013 -2.901 1.00 0.00 C ATOM 163 C ARG A 12 -7.565 13.380 -1.782 1.00 0.00 C ATOM 164 O ARG A 12 -6.645 14.173 -1.961 1.00 0.00 O ATOM 165 CB ARG A 12 -9.623 14.064 -3.018 1.00 0.00 C ATOM 166 CG ARG A 12 -10.394 13.986 -4.316 1.00 0.00 C ATOM 167 CD ARG A 12 -11.744 14.667 -4.203 1.00 0.00 C ATOM 168 NE ARG A 12 -11.661 15.982 -3.564 1.00 0.00 N ATOM 169 CZ ARG A 12 -12.716 16.765 -3.324 1.00 0.00 C ATOM 170 NH1 ARG A 12 -13.927 16.409 -3.742 1.00 0.00 N ATOM 171 NH2 ARG A 12 -12.557 17.904 -2.668 1.00 0.00 N ATOM 0 H ARG A 12 -10.011 11.754 -2.140 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.977 12.972 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.316 13.949 -2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.178 15.055 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.815 14.453 -5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.534 12.942 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.175 14.777 -5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.420 14.032 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.740 16.321 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.054 15.533 -4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.729 17.012 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.630 18.182 -2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.362 18.503 -2.484 1.00 0.00 H new ATOM 185 N ASP A 13 -7.791 12.761 -0.629 1.00 0.00 N ATOM 186 CA ASP A 13 -6.944 12.943 0.557 1.00 0.00 C ATOM 187 C ASP A 13 -5.617 12.233 0.363 1.00 0.00 C ATOM 188 O ASP A 13 -4.683 12.390 1.150 1.00 0.00 O ATOM 189 CB ASP A 13 -7.630 12.343 1.789 1.00 0.00 C ATOM 190 CG ASP A 13 -9.007 12.920 2.044 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.925 12.657 1.239 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.181 13.633 3.050 1.00 0.00 O ATOM 0 H ASP A 13 -8.568 12.116 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.781 14.011 0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.713 11.264 1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.004 12.513 2.665 1.00 0.00 H new ATOM 197 N ILE A 14 -5.558 11.456 -0.702 1.00 0.00 N ATOM 198 CA ILE A 14 -4.456 10.547 -0.956 1.00 0.00 C ATOM 199 C ILE A 14 -3.253 11.298 -1.550 1.00 0.00 C ATOM 200 O ILE A 14 -3.331 11.872 -2.641 1.00 0.00 O ATOM 201 CB ILE A 14 -4.937 9.396 -1.884 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.722 8.317 -1.095 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.763 8.755 -2.622 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.775 8.838 -0.130 1.00 0.00 C ATOM 0 H ILE A 14 -6.280 11.438 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.122 10.111 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.611 9.838 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.208 7.653 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.009 7.714 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.130 7.954 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.262 9.507 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.058 8.346 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.261 7.998 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.301 9.476 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.519 9.414 -0.680 1.00 0.00 H new ATOM 216 N PRO A 15 -2.146 11.333 -0.786 1.00 0.00 N ATOM 217 CA PRO A 15 -0.896 12.032 -1.147 1.00 0.00 C ATOM 218 C PRO A 15 -0.169 11.462 -2.363 1.00 0.00 C ATOM 219 O PRO A 15 -0.670 10.580 -3.062 1.00 0.00 O ATOM 220 CB PRO A 15 -0.014 11.854 0.091 1.00 0.00 C ATOM 221 CG PRO A 15 -0.943 11.483 1.185 1.00 0.00 C ATOM 222 CD PRO A 15 -2.044 10.714 0.538 1.00 0.00 C ATOM 0 HA PRO A 15 -1.117 13.063 -1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.735 11.078 -0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.523 12.773 0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.437 10.882 1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.328 12.370 1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.808 9.652 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.977 10.798 1.096 1.00 0.00 H new ATOM 230 N LYS A 16 1.030 11.987 -2.599 1.00 0.00 N ATOM 231 CA LYS A 16 1.848 11.560 -3.723 1.00 0.00 C ATOM 232 C LYS A 16 2.572 10.255 -3.404 1.00 0.00 C ATOM 233 O LYS A 16 2.769 9.913 -2.235 1.00 0.00 O ATOM 234 CB LYS A 16 2.869 12.639 -4.097 1.00 0.00 C ATOM 235 CG LYS A 16 4.241 12.408 -3.510 1.00 0.00 C ATOM 236 CD LYS A 16 5.263 13.346 -4.112 1.00 0.00 C ATOM 237 CE LYS A 16 5.349 13.173 -5.620 1.00 0.00 C ATOM 238 NZ LYS A 16 6.336 14.095 -6.233 1.00 0.00 N ATOM 0 H LYS A 16 1.456 12.712 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 16 1.183 11.396 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.952 12.687 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.499 13.608 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.205 12.551 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.544 11.376 -3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.997 14.377 -3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.240 13.158 -3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.623 12.144 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.368 13.348 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.361 13.942 -7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.062 15.079 -6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.278 13.911 -5.832 1.00 0.00 H new ATOM 252 N ASN A 17 2.993 9.567 -4.466 1.00 0.00 N ATOM 253 CA ASN A 17 3.569 8.211 -4.400 1.00 0.00 C ATOM 254 C ASN A 17 2.754 7.288 -3.499 1.00 0.00 C ATOM 255 O ASN A 17 3.253 6.268 -3.006 1.00 0.00 O ATOM 256 CB ASN A 17 5.026 8.230 -3.929 1.00 0.00 C ATOM 257 CG ASN A 17 5.915 9.102 -4.790 1.00 0.00 C ATOM 258 OD1 ASN A 17 6.232 8.757 -5.930 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.368 10.208 -4.225 1.00 0.00 N ATOM 0 H ASN A 17 2.945 9.937 -5.415 1.00 0.00 H new ATOM 0 HA ASN A 17 3.537 7.821 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.065 8.586 -2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.415 7.212 -3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.008 10.816 -4.736 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.078 10.453 -3.278 1.00 0.00 H new ATOM 266 N ALA A 18 1.503 7.650 -3.295 1.00 0.00 N ATOM 267 CA ALA A 18 0.624 6.901 -2.432 1.00 0.00 C ATOM 268 C ALA A 18 -0.521 6.326 -3.236 1.00 0.00 C ATOM 269 O ALA A 18 -1.096 6.995 -4.096 1.00 0.00 O ATOM 270 CB ALA A 18 0.097 7.792 -1.305 1.00 0.00 C ATOM 0 H ALA A 18 1.072 8.469 -3.723 1.00 0.00 H new ATOM 0 HA ALA A 18 1.183 6.080 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.565 7.212 -0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.934 8.169 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.454 8.630 -1.731 1.00 0.00 H new ATOM 276 N GLY A 19 -0.823 5.074 -2.968 1.00 0.00 N ATOM 277 CA GLY A 19 -1.938 4.423 -3.609 1.00 0.00 C ATOM 278 C GLY A 19 -3.230 4.760 -2.900 1.00 0.00 C ATOM 279 O GLY A 19 -3.208 5.178 -1.741 1.00 0.00 O ATOM 0 H GLY A 19 -0.310 4.488 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.997 4.734 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.786 3.344 -3.607 1.00 0.00 H new ATOM 283 N CYS A 20 -4.348 4.598 -3.572 1.00 0.00 N ATOM 284 CA CYS A 20 -5.608 5.011 -3.006 1.00 0.00 C ATOM 285 C CYS A 20 -6.473 3.810 -2.620 1.00 0.00 C ATOM 286 O CYS A 20 -6.557 2.829 -3.357 1.00 0.00 O ATOM 287 CB CYS A 20 -6.326 5.911 -4.006 1.00 0.00 C ATOM 288 SG CYS A 20 -6.784 5.096 -5.555 1.00 0.00 S ATOM 0 H CYS A 20 -4.409 4.186 -4.503 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.421 5.567 -2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.227 6.306 -3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.685 6.763 -4.234 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.558 3.820 -5.457 1.00 0.00 H new ATOM 294 N PHE A 21 -7.101 3.880 -1.451 1.00 0.00 N ATOM 295 CA PHE A 21 -7.941 2.791 -0.970 1.00 0.00 C ATOM 296 C PHE A 21 -9.115 3.344 -0.161 1.00 0.00 C ATOM 297 O PHE A 21 -9.031 4.430 0.395 1.00 0.00 O ATOM 298 CB PHE A 21 -7.076 1.858 -0.110 1.00 0.00 C ATOM 299 CG PHE A 21 -7.746 0.602 0.391 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.349 -0.296 -0.482 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.727 0.301 1.743 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.922 -1.470 -0.003 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.300 -0.862 2.220 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.893 -1.746 1.342 1.00 0.00 C ATOM 0 H PHE A 21 -7.044 4.679 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.354 2.235 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.200 1.570 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.716 2.421 0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.373 -0.081 -1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.257 0.985 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.389 -2.163 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.284 -1.079 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.336 -2.658 1.714 1.00 0.00 H new ATOM 314 N ARG A 22 -10.227 2.634 -0.166 1.00 0.00 N ATOM 315 CA ARG A 22 -11.311 2.885 0.760 1.00 0.00 C ATOM 316 C ARG A 22 -11.319 1.739 1.739 1.00 0.00 C ATOM 317 O ARG A 22 -10.958 0.633 1.369 1.00 0.00 O ATOM 318 CB ARG A 22 -12.665 2.914 0.048 1.00 0.00 C ATOM 319 CG ARG A 22 -13.712 3.746 0.761 1.00 0.00 C ATOM 320 CD ARG A 22 -13.547 5.246 0.531 1.00 0.00 C ATOM 321 NE ARG A 22 -14.526 6.017 1.300 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.275 6.998 0.805 1.00 0.00 C ATOM 323 NH1 ARG A 22 -15.182 7.334 -0.470 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.119 7.651 1.593 1.00 0.00 N ATOM 0 H ARG A 22 -10.403 1.866 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.162 3.852 1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.527 3.306 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.033 1.893 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.702 3.440 0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.663 3.541 1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.539 5.550 0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.660 5.467 -0.530 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.642 5.785 2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.532 6.840 -1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.760 8.088 -0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.194 7.401 2.579 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.693 8.403 1.213 1.00 0.00 H new ATOM 338 N ASP A 23 -11.666 1.977 2.979 1.00 0.00 N ATOM 339 CA ASP A 23 -11.809 0.875 3.911 1.00 0.00 C ATOM 340 C ASP A 23 -13.286 0.570 4.122 1.00 0.00 C ATOM 341 O ASP A 23 -14.140 1.389 3.786 1.00 0.00 O ATOM 342 CB ASP A 23 -11.125 1.189 5.243 1.00 0.00 C ATOM 343 CG ASP A 23 -11.199 0.024 6.203 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.468 -0.966 5.999 1.00 0.00 O ATOM 345 OD2 ASP A 23 -12.015 0.080 7.140 1.00 0.00 O ATOM 0 H ASP A 23 -11.853 2.902 3.366 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.321 -0.004 3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.081 1.446 5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.595 2.062 5.695 1.00 0.00 H new ATOM 350 N ASP A 24 -13.588 -0.599 4.679 1.00 0.00 N ATOM 351 CA ASP A 24 -14.972 -0.994 4.940 1.00 0.00 C ATOM 352 C ASP A 24 -15.623 -0.011 5.909 1.00 0.00 C ATOM 353 O ASP A 24 -16.843 0.144 5.939 1.00 0.00 O ATOM 354 CB ASP A 24 -15.023 -2.415 5.507 1.00 0.00 C ATOM 355 CG ASP A 24 -16.442 -2.916 5.689 1.00 0.00 C ATOM 356 OD1 ASP A 24 -17.020 -3.439 4.713 1.00 0.00 O ATOM 357 OD2 ASP A 24 -16.989 -2.781 6.805 1.00 0.00 O ATOM 0 H ASP A 24 -12.893 -1.291 4.959 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.524 -0.978 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.486 -3.089 4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.507 -2.439 6.467 1.00 0.00 H new ATOM 362 N ASP A 25 -14.779 0.690 6.658 1.00 0.00 N ATOM 363 CA ASP A 25 -15.223 1.709 7.602 1.00 0.00 C ATOM 364 C ASP A 25 -15.899 2.859 6.863 1.00 0.00 C ATOM 365 O ASP A 25 -16.628 3.650 7.450 1.00 0.00 O ATOM 366 CB ASP A 25 -14.011 2.251 8.367 1.00 0.00 C ATOM 367 CG ASP A 25 -14.387 3.111 9.553 1.00 0.00 C ATOM 368 OD1 ASP A 25 -14.700 2.545 10.622 1.00 0.00 O ATOM 369 OD2 ASP A 25 -14.344 4.353 9.432 1.00 0.00 O ATOM 0 H ASP A 25 -13.767 0.568 6.628 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.936 1.262 8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.404 1.414 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.392 2.835 7.686 1.00 0.00 H new ATOM 374 N GLY A 26 -15.658 2.932 5.562 1.00 0.00 N ATOM 375 CA GLY A 26 -16.146 4.043 4.776 1.00 0.00 C ATOM 376 C GLY A 26 -15.089 5.109 4.660 1.00 0.00 C ATOM 377 O GLY A 26 -15.215 6.062 3.896 1.00 0.00 O ATOM 0 H GLY A 26 -15.130 2.236 5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.432 3.696 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -17.041 4.459 5.239 1.00 0.00 H new ATOM 381 N THR A 27 -14.035 4.924 5.424 1.00 0.00 N ATOM 382 CA THR A 27 -12.912 5.831 5.429 1.00 0.00 C ATOM 383 C THR A 27 -12.001 5.561 4.241 1.00 0.00 C ATOM 384 O THR A 27 -11.808 4.416 3.855 1.00 0.00 O ATOM 385 CB THR A 27 -12.133 5.679 6.747 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.982 6.032 7.850 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.880 6.538 6.770 1.00 0.00 C ATOM 0 H THR A 27 -13.934 4.135 6.062 1.00 0.00 H new ATOM 0 HA THR A 27 -13.282 6.853 5.347 1.00 0.00 H new ATOM 0 HB THR A 27 -11.821 4.638 6.831 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.226 5.223 8.347 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.361 6.399 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.223 6.245 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.156 7.587 6.657 1.00 0.00 H new ATOM 395 N LYS A 28 -11.466 6.613 3.645 1.00 0.00 N ATOM 396 CA LYS A 28 -10.517 6.444 2.560 1.00 0.00 C ATOM 397 C LYS A 28 -9.124 6.488 3.136 1.00 0.00 C ATOM 398 O LYS A 28 -8.838 7.273 4.044 1.00 0.00 O ATOM 399 CB LYS A 28 -10.648 7.516 1.484 1.00 0.00 C ATOM 400 CG LYS A 28 -11.845 8.419 1.665 1.00 0.00 C ATOM 401 CD LYS A 28 -11.666 9.727 0.932 1.00 0.00 C ATOM 402 CE LYS A 28 -12.629 10.790 1.444 1.00 0.00 C ATOM 403 NZ LYS A 28 -14.050 10.364 1.340 1.00 0.00 N ATOM 0 H LYS A 28 -11.670 7.582 3.891 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.724 5.487 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.743 8.124 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.713 7.033 0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.740 7.916 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.999 8.613 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.640 10.075 1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.827 9.572 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.396 11.017 2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.486 11.710 0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.639 10.970 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.367 10.450 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.139 9.375 1.648 1.00 0.00 H new ATOM 417 N GLU A 29 -8.271 5.650 2.619 1.00 0.00 N ATOM 418 CA GLU A 29 -6.932 5.538 3.122 1.00 0.00 C ATOM 419 C GLU A 29 -5.921 5.642 2.009 1.00 0.00 C ATOM 420 O GLU A 29 -6.253 5.557 0.825 1.00 0.00 O ATOM 421 CB GLU A 29 -6.739 4.217 3.838 1.00 0.00 C ATOM 422 CG GLU A 29 -7.654 4.033 5.034 1.00 0.00 C ATOM 423 CD GLU A 29 -7.352 2.768 5.807 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.650 1.669 5.304 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.809 2.872 6.929 1.00 0.00 O ATOM 0 H GLU A 29 -8.483 5.027 1.840 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.779 6.360 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.909 3.403 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.703 4.141 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.556 4.892 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.690 4.009 4.695 1.00 0.00 H new ATOM 432 N TRP A 30 -4.688 5.810 2.416 1.00 0.00 N ATOM 433 CA TRP A 30 -3.576 5.889 1.508 1.00 0.00 C ATOM 434 C TRP A 30 -2.370 5.251 2.155 1.00 0.00 C ATOM 435 O TRP A 30 -2.221 5.272 3.381 1.00 0.00 O ATOM 436 CB TRP A 30 -3.265 7.336 1.158 1.00 0.00 C ATOM 437 CG TRP A 30 -3.052 8.175 2.371 1.00 0.00 C ATOM 438 CD1 TRP A 30 -4.015 8.704 3.173 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.796 8.564 2.932 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.434 9.423 4.185 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.078 9.351 4.060 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.462 8.338 2.586 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.081 9.905 4.843 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.526 8.887 3.367 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.210 9.665 4.484 1.00 0.00 C ATOM 0 H TRP A 30 -4.427 5.897 3.398 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.831 5.363 0.588 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.374 7.373 0.532 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.085 7.750 0.571 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.078 8.577 3.033 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.935 9.930 4.914 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.212 7.743 1.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.318 10.506 5.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.562 8.715 3.114 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.009 10.086 5.076 1.00 0.00 H new ATOM 456 N ARG A 31 -1.535 4.679 1.335 1.00 0.00 N ATOM 457 CA ARG A 31 -0.338 4.008 1.778 1.00 0.00 C ATOM 458 C ARG A 31 0.742 4.275 0.791 1.00 0.00 C ATOM 459 O ARG A 31 0.487 4.775 -0.302 1.00 0.00 O ATOM 460 CB ARG A 31 -0.557 2.508 1.933 1.00 0.00 C ATOM 461 CG ARG A 31 -1.676 2.202 2.889 1.00 0.00 C ATOM 462 CD ARG A 31 -2.007 0.736 2.951 1.00 0.00 C ATOM 463 NE ARG A 31 -3.031 0.463 3.961 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.964 -0.470 3.820 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.960 -1.227 2.738 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.892 -0.641 4.756 1.00 0.00 N ATOM 0 H ARG A 31 -1.665 4.663 0.323 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.058 4.391 2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.781 2.071 0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.362 2.041 2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.402 2.550 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.565 2.758 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.357 0.399 1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.106 0.167 3.181 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.027 1.018 4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.245 -1.091 2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.672 -1.948 2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.890 -0.053 5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.606 -1.360 4.641 1.00 0.00 H new ATOM 480 N CYS A 32 1.926 3.895 1.142 1.00 0.00 N ATOM 481 CA CYS A 32 3.071 4.271 0.375 1.00 0.00 C ATOM 482 C CYS A 32 3.533 3.050 -0.348 1.00 0.00 C ATOM 483 O CYS A 32 3.660 1.988 0.243 1.00 0.00 O ATOM 484 CB CYS A 32 4.171 4.783 1.296 1.00 0.00 C ATOM 485 SG CYS A 32 3.582 5.329 2.920 1.00 0.00 S ATOM 0 H CYS A 32 2.128 3.321 1.960 1.00 0.00 H new ATOM 0 HA CYS A 32 2.825 5.068 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.910 3.994 1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.681 5.614 0.808 1.00 0.00 H new ATOM 0 HG CYS A 32 4.599 5.543 3.701 1.00 0.00 H new ATOM 491 N LEU A 33 3.686 3.233 -1.649 1.00 0.00 N ATOM 492 CA LEU A 33 3.966 2.164 -2.603 1.00 0.00 C ATOM 493 C LEU A 33 5.038 1.174 -2.144 1.00 0.00 C ATOM 494 O LEU A 33 5.704 1.374 -1.137 1.00 0.00 O ATOM 495 CB LEU A 33 4.339 2.805 -3.927 1.00 0.00 C ATOM 496 CG LEU A 33 3.197 2.872 -4.943 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.858 3.108 -4.250 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.462 3.981 -5.931 1.00 0.00 C ATOM 0 H LEU A 33 3.618 4.152 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 33 3.065 1.558 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.700 3.816 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.167 2.248 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 33 3.147 1.917 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.065 3.151 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.659 2.292 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.893 4.050 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.647 4.027 -6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.531 4.931 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.399 3.787 -6.453 1.00 0.00 H new ATOM 510 N LEU A 34 5.212 0.104 -2.896 1.00 0.00 N ATOM 511 CA LEU A 34 6.090 -0.976 -2.472 1.00 0.00 C ATOM 512 C LEU A 34 7.520 -0.501 -2.337 1.00 0.00 C ATOM 513 O LEU A 34 8.110 0.002 -3.288 1.00 0.00 O ATOM 514 CB LEU A 34 6.016 -2.142 -3.438 1.00 0.00 C ATOM 515 CG LEU A 34 4.640 -2.779 -3.553 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.707 -3.994 -4.434 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.102 -3.147 -2.184 1.00 0.00 C ATOM 0 H LEU A 34 4.761 -0.043 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 34 5.748 -1.311 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.328 -1.800 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.730 -2.903 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 34 3.960 -2.055 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.717 -4.443 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.052 -3.705 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.401 -4.717 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.117 -3.601 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.778 -3.855 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.024 -2.249 -1.571 1.00 0.00 H new ATOM 529 N GLY A 35 8.062 -0.657 -1.143 1.00 0.00 N ATOM 530 CA GLY A 35 9.399 -0.187 -0.863 1.00 0.00 C ATOM 531 C GLY A 35 9.439 1.311 -0.664 1.00 0.00 C ATOM 532 O GLY A 35 10.487 1.939 -0.796 1.00 0.00 O ATOM 0 H GLY A 35 7.595 -1.105 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.778 -0.682 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.060 -0.462 -1.685 1.00 0.00 H new ATOM 536 N TYR A 36 8.283 1.885 -0.374 1.00 0.00 N ATOM 537 CA TYR A 36 8.157 3.299 -0.096 1.00 0.00 C ATOM 538 C TYR A 36 7.907 3.539 1.388 1.00 0.00 C ATOM 539 O TYR A 36 7.803 2.599 2.179 1.00 0.00 O ATOM 540 CB TYR A 36 7.002 3.893 -0.901 1.00 0.00 C ATOM 541 CG TYR A 36 7.275 4.062 -2.380 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.730 3.008 -3.158 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.078 5.285 -2.989 1.00 0.00 C ATOM 544 CE1 TYR A 36 7.975 3.171 -4.504 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.321 5.463 -4.330 1.00 0.00 C ATOM 546 CZ TYR A 36 7.775 4.403 -5.088 1.00 0.00 C ATOM 547 OH TYR A 36 8.020 4.569 -6.434 1.00 0.00 O ATOM 0 H TYR A 36 7.401 1.375 -0.325 1.00 0.00 H new ATOM 0 HA TYR A 36 9.091 3.783 -0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.127 3.254 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.748 4.866 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.895 2.043 -2.701 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.726 6.119 -2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.322 2.338 -5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.158 6.427 -4.788 1.00 0.00 H new ATOM 0 HH TYR A 36 8.880 5.023 -6.556 1.00 0.00 H new ATOM 557 N LYS A 37 7.801 4.805 1.751 1.00 0.00 N ATOM 558 CA LYS A 37 7.561 5.210 3.121 1.00 0.00 C ATOM 559 C LYS A 37 7.002 6.611 3.119 1.00 0.00 C ATOM 560 O LYS A 37 6.905 7.235 2.069 1.00 0.00 O ATOM 561 CB LYS A 37 8.864 5.206 3.908 1.00 0.00 C ATOM 562 CG LYS A 37 9.936 6.085 3.284 1.00 0.00 C ATOM 563 CD LYS A 37 11.160 6.187 4.173 1.00 0.00 C ATOM 564 CE LYS A 37 12.128 7.247 3.670 1.00 0.00 C ATOM 565 NZ LYS A 37 13.303 7.398 4.567 1.00 0.00 N ATOM 0 H LYS A 37 7.880 5.584 1.098 1.00 0.00 H new ATOM 0 HA LYS A 37 6.861 4.515 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.669 5.546 4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.236 4.184 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.223 5.678 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.532 7.081 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.853 6.427 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.664 5.221 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.468 6.982 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.609 8.202 3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.937 8.130 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.982 7.676 5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.814 6.494 4.625 1.00 0.00 H new ATOM 579 N LYS A 38 6.640 7.103 4.278 1.00 0.00 N ATOM 580 CA LYS A 38 6.279 8.491 4.403 1.00 0.00 C ATOM 581 C LYS A 38 7.531 9.328 4.563 1.00 0.00 C ATOM 582 O LYS A 38 8.339 9.091 5.457 1.00 0.00 O ATOM 583 CB LYS A 38 5.345 8.707 5.569 1.00 0.00 C ATOM 584 CG LYS A 38 4.095 7.868 5.460 1.00 0.00 C ATOM 585 CD LYS A 38 2.954 8.529 6.171 1.00 0.00 C ATOM 586 CE LYS A 38 1.878 7.527 6.564 1.00 0.00 C ATOM 587 NZ LYS A 38 2.361 6.549 7.580 1.00 0.00 N ATOM 0 H LYS A 38 6.588 6.565 5.143 1.00 0.00 H new ATOM 0 HA LYS A 38 5.754 8.798 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.863 8.465 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.070 9.760 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.840 7.720 4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.274 6.881 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.325 9.033 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.520 9.295 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.014 8.061 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.543 6.990 5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.548 6.143 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.889 5.788 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.984 7.032 8.258 1.00 0.00 H new ATOM 601 N GLY A 39 7.704 10.282 3.675 1.00 0.00 N ATOM 602 CA GLY A 39 8.862 11.143 3.735 1.00 0.00 C ATOM 603 C GLY A 39 8.444 12.542 4.059 1.00 0.00 C ATOM 604 O GLY A 39 8.816 13.103 5.092 1.00 0.00 O ATOM 0 H GLY A 39 7.062 10.480 2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.558 10.778 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.389 11.124 2.781 1.00 0.00 H new ATOM 608 N GLU A 40 7.640 13.083 3.174 1.00 0.00 N ATOM 609 CA GLU A 40 7.024 14.367 3.372 1.00 0.00 C ATOM 610 C GLU A 40 5.750 14.196 4.197 1.00 0.00 C ATOM 611 O GLU A 40 5.186 13.099 4.250 1.00 0.00 O ATOM 612 CB GLU A 40 6.769 15.028 2.011 1.00 0.00 C ATOM 613 CG GLU A 40 6.443 14.065 0.866 1.00 0.00 C ATOM 614 CD GLU A 40 6.713 14.683 -0.487 1.00 0.00 C ATOM 615 OE1 GLU A 40 5.875 15.477 -0.962 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.768 14.379 -1.081 1.00 0.00 O ATOM 0 H GLU A 40 7.395 12.638 2.290 1.00 0.00 H new ATOM 0 HA GLU A 40 7.684 15.030 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.944 15.733 2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.650 15.608 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.037 13.157 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.396 13.770 0.927 1.00 0.00 H new ATOM 623 N GLY A 41 5.336 15.265 4.873 1.00 0.00 N ATOM 624 CA GLY A 41 4.244 15.177 5.833 1.00 0.00 C ATOM 625 C GLY A 41 2.955 14.670 5.232 1.00 0.00 C ATOM 626 O GLY A 41 2.358 15.333 4.382 1.00 0.00 O ATOM 0 H GLY A 41 5.739 16.197 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.540 14.517 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.071 16.162 6.266 1.00 0.00 H new ATOM 630 N ASN A 42 2.518 13.501 5.707 1.00 0.00 N ATOM 631 CA ASN A 42 1.385 12.794 5.123 1.00 0.00 C ATOM 632 C ASN A 42 1.605 12.614 3.638 1.00 0.00 C ATOM 633 O ASN A 42 0.907 13.215 2.827 1.00 0.00 O ATOM 634 CB ASN A 42 0.066 13.531 5.360 1.00 0.00 C ATOM 635 CG ASN A 42 -0.528 13.252 6.726 1.00 0.00 C ATOM 636 OD1 ASN A 42 -0.250 12.221 7.341 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.373 14.155 7.199 1.00 0.00 N ATOM 0 H ASN A 42 2.940 13.023 6.503 1.00 0.00 H new ATOM 0 HA ASN A 42 1.316 11.822 5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.230 14.603 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.650 13.240 4.592 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.821 14.010 8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.576 14.996 6.658 1.00 0.00 H new ATOM 644 N THR A 43 2.597 11.816 3.277 1.00 0.00 N ATOM 645 CA THR A 43 2.954 11.637 1.887 1.00 0.00 C ATOM 646 C THR A 43 3.879 10.445 1.768 1.00 0.00 C ATOM 647 O THR A 43 4.322 9.910 2.779 1.00 0.00 O ATOM 648 CB THR A 43 3.656 12.867 1.296 1.00 0.00 C ATOM 649 OG1 THR A 43 3.394 14.045 2.070 1.00 0.00 O ATOM 650 CG2 THR A 43 3.187 13.110 -0.118 1.00 0.00 C ATOM 0 H THR A 43 3.168 11.282 3.932 1.00 0.00 H new ATOM 0 HA THR A 43 2.031 11.482 1.328 1.00 0.00 H new ATOM 0 HB THR A 43 4.727 12.663 1.309 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.571 14.840 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.694 13.986 -0.524 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.418 12.240 -0.732 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.110 13.280 -0.120 1.00 0.00 H new ATOM 658 N CYS A 44 4.185 10.038 0.553 1.00 0.00 N ATOM 659 CA CYS A 44 4.974 8.846 0.348 1.00 0.00 C ATOM 660 C CYS A 44 6.129 9.108 -0.605 1.00 0.00 C ATOM 661 O CYS A 44 6.027 9.939 -1.508 1.00 0.00 O ATOM 662 CB CYS A 44 4.068 7.746 -0.176 1.00 0.00 C ATOM 663 SG CYS A 44 2.540 7.572 0.773 1.00 0.00 S ATOM 0 H CYS A 44 3.900 10.514 -0.303 1.00 0.00 H new ATOM 0 HA CYS A 44 5.412 8.534 1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.820 7.953 -1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.609 6.800 -0.159 1.00 0.00 H new ATOM 0 HG CYS A 44 2.744 6.779 1.783 1.00 0.00 H new ATOM 669 N VAL A 45 7.228 8.407 -0.368 1.00 0.00 N ATOM 670 CA VAL A 45 8.453 8.540 -1.135 1.00 0.00 C ATOM 671 C VAL A 45 9.158 7.194 -1.198 1.00 0.00 C ATOM 672 O VAL A 45 8.884 6.309 -0.383 1.00 0.00 O ATOM 673 CB VAL A 45 9.421 9.557 -0.491 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.849 10.970 -0.532 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.748 9.153 0.945 1.00 0.00 C ATOM 0 H VAL A 45 7.292 7.716 0.379 1.00 0.00 H new ATOM 0 HA VAL A 45 8.182 8.891 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 45 10.343 9.553 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.554 11.662 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.678 11.263 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.906 10.997 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.431 9.882 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.830 9.120 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.217 8.169 0.948 1.00 0.00 H new ATOM 685 N GLU A 46 10.056 7.046 -2.156 1.00 0.00 N ATOM 686 CA GLU A 46 10.828 5.822 -2.315 1.00 0.00 C ATOM 687 C GLU A 46 11.751 5.598 -1.122 1.00 0.00 C ATOM 688 O GLU A 46 12.712 6.340 -0.915 1.00 0.00 O ATOM 689 CB GLU A 46 11.648 5.897 -3.596 1.00 0.00 C ATOM 690 CG GLU A 46 11.273 4.850 -4.635 1.00 0.00 C ATOM 691 CD GLU A 46 11.507 5.337 -6.047 1.00 0.00 C ATOM 692 OE1 GLU A 46 12.680 5.540 -6.429 1.00 0.00 O ATOM 693 OE2 GLU A 46 10.518 5.534 -6.780 1.00 0.00 O ATOM 0 H GLU A 46 10.272 7.767 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 46 10.135 4.983 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.528 6.888 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.703 5.784 -3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.856 3.945 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.224 4.581 -4.515 1.00 0.00 H new ATOM 700 N ASN A 47 11.449 4.573 -0.344 1.00 0.00 N ATOM 701 CA ASN A 47 12.250 4.217 0.816 1.00 0.00 C ATOM 702 C ASN A 47 13.517 3.508 0.345 1.00 0.00 C ATOM 703 O ASN A 47 13.460 2.398 -0.180 1.00 0.00 O ATOM 704 CB ASN A 47 11.430 3.315 1.750 1.00 0.00 C ATOM 705 CG ASN A 47 12.151 2.928 3.026 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.370 2.996 3.119 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.389 2.488 4.015 1.00 0.00 N ATOM 0 H ASN A 47 10.644 3.965 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 47 12.533 5.113 1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.503 3.826 2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.154 2.408 1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.814 2.191 4.893 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.376 2.446 3.899 1.00 0.00 H new ATOM 714 N ASN A 48 14.660 4.149 0.532 1.00 0.00 N ATOM 715 CA ASN A 48 15.919 3.641 0.022 1.00 0.00 C ATOM 716 C ASN A 48 16.463 2.473 0.847 1.00 0.00 C ATOM 717 O ASN A 48 17.587 2.023 0.631 1.00 0.00 O ATOM 718 CB ASN A 48 16.939 4.770 -0.043 1.00 0.00 C ATOM 719 CG ASN A 48 16.814 5.621 -1.298 1.00 0.00 C ATOM 720 OD1 ASN A 48 15.593 5.820 -1.776 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 17.813 6.104 -1.831 1.00 0.00 N flip ATOM 0 H ASN A 48 14.739 5.031 1.039 1.00 0.00 H new ATOM 0 HA ASN A 48 15.733 3.253 -0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.822 5.408 0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.943 4.347 0.003 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.737 5.930 -1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.717 6.679 -2.668 1.00 0.00 H new ATOM 728 N ASN A 49 15.647 1.966 1.757 1.00 0.00 N ATOM 729 CA ASN A 49 16.021 0.855 2.619 1.00 0.00 C ATOM 730 C ASN A 49 14.772 0.351 3.324 1.00 0.00 C ATOM 731 O ASN A 49 14.628 0.496 4.537 1.00 0.00 O ATOM 732 CB ASN A 49 17.055 1.314 3.645 1.00 0.00 C ATOM 733 CG ASN A 49 17.793 0.161 4.305 1.00 0.00 C ATOM 734 OD1 ASN A 49 18.845 -0.266 3.828 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.262 -0.342 5.408 1.00 0.00 N ATOM 0 H ASN A 49 14.702 2.315 1.920 1.00 0.00 H new ATOM 0 HA ASN A 49 16.460 0.054 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.777 1.968 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.558 1.906 4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.726 -1.110 5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.389 0.038 5.773 1.00 0.00 H new ATOM 742 N PRO A 50 13.834 -0.231 2.565 1.00 0.00 N ATOM 743 CA PRO A 50 12.528 -0.553 3.084 1.00 0.00 C ATOM 744 C PRO A 50 12.534 -1.808 3.936 1.00 0.00 C ATOM 745 O PRO A 50 13.140 -2.824 3.586 1.00 0.00 O ATOM 746 CB PRO A 50 11.663 -0.720 1.840 1.00 0.00 C ATOM 747 CG PRO A 50 12.591 -0.868 0.679 1.00 0.00 C ATOM 748 CD PRO A 50 13.989 -0.656 1.172 1.00 0.00 C ATOM 0 HA PRO A 50 12.156 0.223 3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.019 -1.595 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.011 0.143 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.490 -1.858 0.235 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.347 -0.144 -0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.577 -1.571 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.506 0.101 0.583 1.00 0.00 H new ATOM 756 N THR A 51 11.862 -1.705 5.062 1.00 0.00 N ATOM 757 CA THR A 51 11.790 -2.763 6.035 1.00 0.00 C ATOM 758 C THR A 51 10.330 -3.126 6.240 1.00 0.00 C ATOM 759 O THR A 51 9.448 -2.286 6.049 1.00 0.00 O ATOM 760 CB THR A 51 12.434 -2.332 7.375 1.00 0.00 C ATOM 761 OG1 THR A 51 12.491 -3.435 8.286 1.00 0.00 O ATOM 762 CG2 THR A 51 11.655 -1.194 8.013 1.00 0.00 C ATOM 0 H THR A 51 11.343 -0.868 5.328 1.00 0.00 H new ATOM 0 HA THR A 51 12.344 -3.629 5.672 1.00 0.00 H new ATOM 0 HB THR A 51 13.446 -1.990 7.158 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.902 -3.144 9.127 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.129 -0.911 8.953 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.645 -0.337 7.339 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.632 -1.516 8.205 1.00 0.00 H new ATOM 770 N CYS A 52 10.064 -4.361 6.605 1.00 0.00 N ATOM 771 CA CYS A 52 8.711 -4.788 6.849 1.00 0.00 C ATOM 772 C CYS A 52 8.268 -4.333 8.242 1.00 0.00 C ATOM 773 O CYS A 52 9.094 -3.864 9.028 1.00 0.00 O ATOM 774 CB CYS A 52 8.654 -6.302 6.713 1.00 0.00 C ATOM 775 SG CYS A 52 9.723 -7.196 7.861 1.00 0.00 S ATOM 0 H CYS A 52 10.770 -5.085 6.738 1.00 0.00 H new ATOM 0 HA CYS A 52 8.029 -4.342 6.125 1.00 0.00 H new ATOM 0 HB2 CYS A 52 7.625 -6.629 6.864 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.929 -6.573 5.694 1.00 0.00 H new ATOM 0 HG CYS A 52 9.598 -8.475 7.664 1.00 0.00 H new ATOM 781 N ASP A 53 6.959 -4.436 8.508 1.00 0.00 N ATOM 782 CA ASP A 53 6.316 -3.893 9.723 1.00 0.00 C ATOM 783 C ASP A 53 6.053 -2.407 9.578 1.00 0.00 C ATOM 784 O ASP A 53 4.956 -1.922 9.858 1.00 0.00 O ATOM 785 CB ASP A 53 7.132 -4.121 11.003 1.00 0.00 C ATOM 786 CG ASP A 53 6.623 -5.290 11.818 1.00 0.00 C ATOM 787 OD1 ASP A 53 5.450 -5.245 12.259 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.391 -6.250 12.028 1.00 0.00 O ATOM 0 H ASP A 53 6.305 -4.904 7.881 1.00 0.00 H new ATOM 0 HA ASP A 53 5.379 -4.441 9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.175 -4.294 10.738 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.104 -3.218 11.613 1.00 0.00 H new ATOM 793 N ILE A 54 7.062 -1.691 9.126 1.00 0.00 N ATOM 794 CA ILE A 54 6.974 -0.249 8.980 1.00 0.00 C ATOM 795 C ILE A 54 6.395 0.072 7.635 1.00 0.00 C ATOM 796 O ILE A 54 7.060 -0.095 6.611 1.00 0.00 O ATOM 797 CB ILE A 54 8.349 0.415 9.146 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.948 0.002 10.494 1.00 0.00 C ATOM 799 CG2 ILE A 54 8.225 1.932 9.031 1.00 0.00 C ATOM 800 CD1 ILE A 54 10.317 0.576 10.765 1.00 0.00 C ATOM 0 H ILE A 54 7.961 -2.087 8.851 1.00 0.00 H new ATOM 0 HA ILE A 54 6.326 0.145 9.763 1.00 0.00 H new ATOM 0 HB ILE A 54 9.017 0.082 8.351 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.272 0.314 11.290 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.008 -1.086 10.534 1.00 0.00 H new ATOM 0 HG21 ILE A 54 9.208 2.388 9.151 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.822 2.191 8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.556 2.302 9.808 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.668 0.235 11.739 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.010 0.244 9.992 1.00 0.00 H new ATOM 0 HD13 ILE A 54 10.263 1.665 10.760 1.00 0.00 H new ATOM 812 N ASN A 55 5.122 0.469 7.646 1.00 0.00 N ATOM 813 CA ASN A 55 4.382 0.698 6.417 1.00 0.00 C ATOM 814 C ASN A 55 4.208 -0.634 5.700 1.00 0.00 C ATOM 815 O ASN A 55 3.819 -0.693 4.538 1.00 0.00 O ATOM 816 CB ASN A 55 5.150 1.691 5.548 1.00 0.00 C ATOM 817 CG ASN A 55 4.366 2.193 4.355 1.00 0.00 C ATOM 818 OD1 ASN A 55 5.070 2.423 3.261 1.00 0.00 O flip ATOM 819 ND2 ASN A 55 3.149 2.367 4.410 1.00 0.00 N flip ATOM 0 H ASN A 55 4.586 0.637 8.497 1.00 0.00 H new ATOM 0 HA ASN A 55 3.398 1.116 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.446 2.542 6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.067 1.218 5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.645 2.176 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.644 2.702 3.589 1.00 0.00 H new ATOM 826 N ASN A 56 4.511 -1.705 6.435 1.00 0.00 N ATOM 827 CA ASN A 56 4.565 -3.057 5.892 1.00 0.00 C ATOM 828 C ASN A 56 5.546 -3.096 4.718 1.00 0.00 C ATOM 829 O ASN A 56 5.417 -3.904 3.807 1.00 0.00 O ATOM 830 CB ASN A 56 3.165 -3.517 5.453 1.00 0.00 C ATOM 831 CG ASN A 56 2.999 -5.027 5.447 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.580 -5.733 6.271 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.202 -5.530 4.515 1.00 0.00 N ATOM 0 H ASN A 56 4.727 -1.655 7.431 1.00 0.00 H new ATOM 0 HA ASN A 56 4.913 -3.742 6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.422 -3.080 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.962 -3.133 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.052 -6.537 4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.739 -4.910 3.851 1.00 0.00 H new ATOM 840 N GLY A 57 6.534 -2.199 4.755 1.00 0.00 N ATOM 841 CA GLY A 57 7.487 -2.076 3.668 1.00 0.00 C ATOM 842 C GLY A 57 6.846 -1.519 2.414 1.00 0.00 C ATOM 843 O GLY A 57 7.347 -1.706 1.311 1.00 0.00 O ATOM 0 H GLY A 57 6.688 -1.552 5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.307 -1.427 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.919 -3.053 3.452 1.00 0.00 H new ATOM 847 N GLY A 58 5.733 -0.829 2.592 1.00 0.00 N ATOM 848 CA GLY A 58 5.017 -0.273 1.470 1.00 0.00 C ATOM 849 C GLY A 58 3.913 -1.194 1.002 1.00 0.00 C ATOM 850 O GLY A 58 3.427 -1.080 -0.114 1.00 0.00 O ATOM 0 H GLY A 58 5.311 -0.644 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.593 0.691 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.711 -0.090 0.650 1.00 0.00 H new ATOM 854 N CYS A 59 3.523 -2.106 1.874 1.00 0.00 N ATOM 855 CA CYS A 59 2.540 -3.127 1.546 1.00 0.00 C ATOM 856 C CYS A 59 1.254 -2.948 2.355 1.00 0.00 C ATOM 857 O CYS A 59 1.150 -2.059 3.202 1.00 0.00 O ATOM 858 CB CYS A 59 3.133 -4.514 1.791 1.00 0.00 C ATOM 859 SG CYS A 59 4.527 -4.916 0.716 1.00 0.00 S ATOM 0 H CYS A 59 3.877 -2.161 2.829 1.00 0.00 H new ATOM 0 HA CYS A 59 2.283 -3.025 0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.457 -4.581 2.830 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.352 -5.262 1.652 1.00 0.00 H new ATOM 0 HG CYS A 59 4.963 -6.108 0.998 1.00 0.00 H new ATOM 865 N ASP A 60 0.289 -3.818 2.092 1.00 0.00 N ATOM 866 CA ASP A 60 -1.004 -3.796 2.774 1.00 0.00 C ATOM 867 C ASP A 60 -0.961 -4.815 3.898 1.00 0.00 C ATOM 868 O ASP A 60 -0.397 -5.886 3.737 1.00 0.00 O ATOM 869 CB ASP A 60 -2.113 -4.186 1.773 1.00 0.00 C ATOM 870 CG ASP A 60 -3.514 -4.279 2.376 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.708 -5.031 3.344 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.436 -3.602 1.869 1.00 0.00 O ATOM 0 H ASP A 60 0.378 -4.561 1.399 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.210 -2.802 3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.128 -3.454 0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.859 -5.148 1.327 1.00 0.00 H new ATOM 877 N PRO A 61 -1.506 -4.457 5.075 1.00 0.00 N ATOM 878 CA PRO A 61 -1.536 -5.330 6.250 1.00 0.00 C ATOM 879 C PRO A 61 -2.034 -6.749 5.953 1.00 0.00 C ATOM 880 O PRO A 61 -1.659 -7.693 6.646 1.00 0.00 O ATOM 881 CB PRO A 61 -2.508 -4.617 7.184 1.00 0.00 C ATOM 882 CG PRO A 61 -2.413 -3.187 6.825 1.00 0.00 C ATOM 883 CD PRO A 61 -2.116 -3.145 5.361 1.00 0.00 C ATOM 0 HA PRO A 61 -0.536 -5.477 6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.524 -4.989 7.053 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.241 -4.779 8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.344 -2.667 7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.627 -2.693 7.396 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.023 -2.992 4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.437 -2.329 5.116 1.00 0.00 H new ATOM 891 N THR A 62 -2.888 -6.897 4.943 1.00 0.00 N ATOM 892 CA THR A 62 -3.365 -8.212 4.533 1.00 0.00 C ATOM 893 C THR A 62 -2.390 -8.847 3.551 1.00 0.00 C ATOM 894 O THR A 62 -2.303 -10.073 3.447 1.00 0.00 O ATOM 895 CB THR A 62 -4.763 -8.149 3.882 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.744 -7.315 2.718 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.793 -7.624 4.863 1.00 0.00 C ATOM 0 H THR A 62 -3.263 -6.123 4.395 1.00 0.00 H new ATOM 0 HA THR A 62 -3.436 -8.817 5.437 1.00 0.00 H new ATOM 0 HB THR A 62 -5.037 -9.163 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.632 -6.380 2.988 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.770 -7.589 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.840 -8.284 5.730 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.511 -6.622 5.185 1.00 0.00 H new ATOM 905 N ALA A 63 -1.659 -8.000 2.835 1.00 0.00 N ATOM 906 CA ALA A 63 -0.641 -8.450 1.918 1.00 0.00 C ATOM 907 C ALA A 63 0.622 -8.816 2.683 1.00 0.00 C ATOM 908 O ALA A 63 1.449 -7.951 2.970 1.00 0.00 O ATOM 909 CB ALA A 63 -0.356 -7.378 0.875 1.00 0.00 C ATOM 0 H ALA A 63 -1.762 -6.986 2.880 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.998 -9.339 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.414 -7.732 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.267 -7.163 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.011 -6.471 1.371 1.00 0.00 H new ATOM 915 N SER A 64 0.755 -10.099 3.012 1.00 0.00 N ATOM 916 CA SER A 64 1.868 -10.606 3.786 1.00 0.00 C ATOM 917 C SER A 64 3.206 -10.172 3.193 1.00 0.00 C ATOM 918 O SER A 64 3.679 -10.720 2.196 1.00 0.00 O ATOM 919 CB SER A 64 1.753 -12.121 3.838 1.00 0.00 C ATOM 920 OG SER A 64 0.428 -12.503 4.173 1.00 0.00 O ATOM 0 H SER A 64 0.082 -10.817 2.742 1.00 0.00 H new ATOM 0 HA SER A 64 1.832 -10.195 4.795 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.029 -12.547 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.451 -12.520 4.574 1.00 0.00 H new ATOM 0 HG SER A 64 0.402 -13.465 4.358 1.00 0.00 H new ATOM 926 N CYS A 65 3.777 -9.154 3.809 1.00 0.00 N ATOM 927 CA CYS A 65 5.012 -8.546 3.352 1.00 0.00 C ATOM 928 C CYS A 65 6.247 -9.350 3.734 1.00 0.00 C ATOM 929 O CYS A 65 6.296 -10.009 4.777 1.00 0.00 O ATOM 930 CB CYS A 65 5.113 -7.137 3.923 1.00 0.00 C ATOM 931 SG CYS A 65 6.783 -6.458 4.000 1.00 0.00 S ATOM 0 H CYS A 65 3.392 -8.722 4.649 1.00 0.00 H new ATOM 0 HA CYS A 65 4.982 -8.520 2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.495 -6.472 3.319 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.692 -7.138 4.928 1.00 0.00 H new ATOM 0 HG CYS A 65 6.742 -5.179 3.771 1.00 0.00 H new ATOM 937 N GLN A 66 7.237 -9.277 2.861 1.00 0.00 N ATOM 938 CA GLN A 66 8.547 -9.848 3.101 1.00 0.00 C ATOM 939 C GLN A 66 9.594 -8.745 3.036 1.00 0.00 C ATOM 940 O GLN A 66 9.502 -7.844 2.201 1.00 0.00 O ATOM 941 CB GLN A 66 8.880 -10.904 2.050 1.00 0.00 C ATOM 942 CG GLN A 66 7.749 -11.875 1.768 1.00 0.00 C ATOM 943 CD GLN A 66 8.200 -13.048 0.920 1.00 0.00 C ATOM 944 OE1 GLN A 66 9.236 -12.836 0.122 1.00 0.00 O flip ATOM 945 NE2 GLN A 66 7.642 -14.139 1.000 1.00 0.00 N flip ATOM 0 H GLN A 66 7.151 -8.814 1.956 1.00 0.00 H new ATOM 0 HA GLN A 66 8.545 -10.317 4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.155 -10.403 1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.754 -11.466 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.346 -12.244 2.711 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.940 -11.350 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.847 -14.260 1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.974 -14.924 0.439 1.00 0.00 H new ATOM 954 N ASN A 67 10.586 -8.821 3.902 1.00 0.00 N ATOM 955 CA ASN A 67 11.645 -7.827 3.942 1.00 0.00 C ATOM 956 C ASN A 67 12.802 -8.270 3.053 1.00 0.00 C ATOM 957 O ASN A 67 13.256 -9.415 3.142 1.00 0.00 O ATOM 958 CB ASN A 67 12.109 -7.645 5.386 1.00 0.00 C ATOM 959 CG ASN A 67 13.025 -6.456 5.589 1.00 0.00 C ATOM 960 OD1 ASN A 67 13.775 -6.060 4.700 1.00 0.00 O ATOM 961 ND2 ASN A 67 12.968 -5.887 6.774 1.00 0.00 N ATOM 0 H ASN A 67 10.682 -9.566 4.592 1.00 0.00 H new ATOM 0 HA ASN A 67 11.273 -6.873 3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.235 -7.532 6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.626 -8.549 5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.561 -5.084 6.983 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.330 -6.249 7.483 1.00 0.00 H new ATOM 968 N ALA A 68 13.273 -7.373 2.195 1.00 0.00 N ATOM 969 CA ALA A 68 14.316 -7.713 1.240 1.00 0.00 C ATOM 970 C ALA A 68 15.130 -6.490 0.841 1.00 0.00 C ATOM 971 O ALA A 68 14.722 -5.350 1.076 1.00 0.00 O ATOM 972 CB ALA A 68 13.701 -8.358 0.015 1.00 0.00 C ATOM 0 H ALA A 68 12.949 -6.407 2.142 1.00 0.00 H new ATOM 0 HA ALA A 68 14.995 -8.419 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.487 -8.610 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.172 -9.265 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.001 -7.663 -0.449 1.00 0.00 H new ATOM 978 N GLU A 69 16.283 -6.741 0.241 1.00 0.00 N ATOM 979 CA GLU A 69 17.189 -5.686 -0.186 1.00 0.00 C ATOM 980 C GLU A 69 17.441 -5.788 -1.691 1.00 0.00 C ATOM 981 O GLU A 69 17.505 -6.888 -2.241 1.00 0.00 O ATOM 982 CB GLU A 69 18.513 -5.812 0.569 1.00 0.00 C ATOM 983 CG GLU A 69 19.584 -4.830 0.120 1.00 0.00 C ATOM 984 CD GLU A 69 19.319 -3.424 0.602 1.00 0.00 C ATOM 985 OE1 GLU A 69 18.457 -2.744 0.018 1.00 0.00 O ATOM 986 OE2 GLU A 69 19.978 -2.988 1.573 1.00 0.00 O ATOM 0 H GLU A 69 16.617 -7.683 0.036 1.00 0.00 H new ATOM 0 HA GLU A 69 16.738 -4.718 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.326 -5.667 1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.892 -6.827 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 69 20.554 -5.161 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.641 -4.833 -0.968 1.00 0.00 H new ATOM 993 N SER A 70 17.584 -4.644 -2.340 1.00 0.00 N ATOM 994 CA SER A 70 17.843 -4.577 -3.765 1.00 0.00 C ATOM 995 C SER A 70 18.440 -3.219 -4.093 1.00 0.00 C ATOM 996 O SER A 70 18.811 -2.464 -3.193 1.00 0.00 O ATOM 997 CB SER A 70 16.536 -4.748 -4.533 1.00 0.00 C ATOM 998 OG SER A 70 15.848 -3.530 -4.616 1.00 0.00 O ATOM 0 H SER A 70 17.523 -3.732 -1.888 1.00 0.00 H new ATOM 0 HA SER A 70 18.535 -5.370 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.744 -5.123 -5.535 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.912 -5.491 -4.037 1.00 0.00 H new ATOM 0 HG SER A 70 14.905 -3.700 -4.823 1.00 0.00 H new ATOM 1004 N THR A 71 18.529 -2.909 -5.368 1.00 0.00 N ATOM 1005 CA THR A 71 18.851 -1.567 -5.798 1.00 0.00 C ATOM 1006 C THR A 71 17.560 -0.782 -6.018 1.00 0.00 C ATOM 1007 O THR A 71 17.456 0.397 -5.679 1.00 0.00 O ATOM 1008 CB THR A 71 19.697 -1.595 -7.079 1.00 0.00 C ATOM 1009 OG1 THR A 71 19.266 -2.686 -7.905 1.00 0.00 O ATOM 1010 CG2 THR A 71 21.174 -1.754 -6.749 1.00 0.00 C ATOM 0 H THR A 71 18.382 -3.573 -6.128 1.00 0.00 H new ATOM 0 HA THR A 71 19.439 -1.075 -5.023 1.00 0.00 H new ATOM 0 HB THR A 71 19.564 -0.652 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.879 -2.335 -8.734 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.753 -1.771 -7.672 1.00 0.00 H new ATOM 0 HG22 THR A 71 21.501 -0.918 -6.131 1.00 0.00 H new ATOM 0 HG23 THR A 71 21.327 -2.687 -6.207 1.00 0.00 H new ATOM 1018 N GLU A 72 16.569 -1.469 -6.570 1.00 0.00 N ATOM 1019 CA GLU A 72 15.244 -0.914 -6.773 1.00 0.00 C ATOM 1020 C GLU A 72 14.425 -0.967 -5.500 1.00 0.00 C ATOM 1021 O GLU A 72 13.920 -2.025 -5.124 1.00 0.00 O ATOM 1022 CB GLU A 72 14.498 -1.715 -7.812 1.00 0.00 C ATOM 1023 CG GLU A 72 15.120 -1.715 -9.185 1.00 0.00 C ATOM 1024 CD GLU A 72 16.317 -2.632 -9.310 1.00 0.00 C ATOM 1025 OE1 GLU A 72 16.157 -3.854 -9.126 1.00 0.00 O ATOM 1026 OE2 GLU A 72 17.421 -2.136 -9.614 1.00 0.00 O ATOM 0 H GLU A 72 16.666 -2.433 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 72 15.377 0.120 -7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.418 -2.746 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.483 -1.325 -7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.367 -2.013 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.424 -0.699 -9.437 1.00 0.00 H new ATOM 1033 N ASN A 73 14.236 0.176 -4.874 1.00 0.00 N ATOM 1034 CA ASN A 73 13.512 0.247 -3.614 1.00 0.00 C ATOM 1035 C ASN A 73 12.124 -0.360 -3.745 1.00 0.00 C ATOM 1036 O ASN A 73 11.609 -0.950 -2.799 1.00 0.00 O ATOM 1037 CB ASN A 73 13.389 1.698 -3.156 1.00 0.00 C ATOM 1038 CG ASN A 73 14.606 2.519 -3.533 1.00 0.00 C ATOM 1039 OD1 ASN A 73 15.593 2.544 -2.662 1.00 0.00 O flip ATOM 1040 ND2 ASN A 73 14.659 3.119 -4.605 1.00 0.00 N flip ATOM 0 H ASN A 73 14.574 1.075 -5.216 1.00 0.00 H new ATOM 0 HA ASN A 73 14.074 -0.323 -2.874 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.499 2.144 -3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.254 1.726 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.873 3.075 -5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.489 3.661 -4.846 1.00 0.00 H new ATOM 1047 N SER A 74 11.540 -0.250 -4.934 1.00 0.00 N ATOM 1048 CA SER A 74 10.180 -0.707 -5.154 1.00 0.00 C ATOM 1049 C SER A 74 10.152 -2.183 -5.564 1.00 0.00 C ATOM 1050 O SER A 74 9.081 -2.757 -5.766 1.00 0.00 O ATOM 1051 CB SER A 74 9.500 0.164 -6.219 1.00 0.00 C ATOM 1052 OG SER A 74 8.093 0.196 -6.040 1.00 0.00 O ATOM 0 H SER A 74 11.990 0.152 -5.757 1.00 0.00 H new ATOM 0 HA SER A 74 9.630 -0.613 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.898 1.178 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.733 -0.223 -7.211 1.00 0.00 H new ATOM 0 HG SER A 74 7.883 0.118 -5.086 1.00 0.00 H new ATOM 1058 N LYS A 75 11.329 -2.795 -5.678 1.00 0.00 N ATOM 1059 CA LYS A 75 11.422 -4.215 -6.011 1.00 0.00 C ATOM 1060 C LYS A 75 11.863 -5.031 -4.801 1.00 0.00 C ATOM 1061 O LYS A 75 12.001 -6.251 -4.886 1.00 0.00 O ATOM 1062 CB LYS A 75 12.419 -4.464 -7.145 1.00 0.00 C ATOM 1063 CG LYS A 75 12.094 -3.762 -8.451 1.00 0.00 C ATOM 1064 CD LYS A 75 12.816 -4.429 -9.601 1.00 0.00 C ATOM 1065 CE LYS A 75 12.536 -3.745 -10.926 1.00 0.00 C ATOM 1066 NZ LYS A 75 13.273 -4.390 -12.042 1.00 0.00 N ATOM 0 H LYS A 75 12.228 -2.332 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 75 10.427 -4.526 -6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.408 -4.146 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.475 -5.537 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.018 -3.785 -8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.385 -2.713 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.889 -4.420 -9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.512 -5.474 -9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.466 -3.774 -11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.820 -2.695 -10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.057 -3.896 -12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.295 -4.340 -11.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.983 -5.386 -12.120 1.00 0.00 H new ATOM 1080 N LYS A 76 12.100 -4.359 -3.680 1.00 0.00 N ATOM 1081 CA LYS A 76 12.628 -5.036 -2.506 1.00 0.00 C ATOM 1082 C LYS A 76 11.539 -5.747 -1.737 1.00 0.00 C ATOM 1083 O LYS A 76 11.604 -6.951 -1.533 1.00 0.00 O ATOM 1084 CB LYS A 76 13.333 -4.062 -1.569 1.00 0.00 C ATOM 1085 CG LYS A 76 14.516 -3.374 -2.196 1.00 0.00 C ATOM 1086 CD LYS A 76 15.346 -2.645 -1.167 1.00 0.00 C ATOM 1087 CE LYS A 76 15.988 -1.400 -1.751 1.00 0.00 C ATOM 1088 NZ LYS A 76 17.010 -0.797 -0.849 1.00 0.00 N ATOM 0 H LYS A 76 11.937 -3.359 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 76 13.347 -5.769 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.619 -3.309 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.665 -4.600 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.136 -4.110 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.169 -2.668 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.717 -2.369 -0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.121 -3.310 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.454 -1.651 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.214 -0.662 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.765 -0.366 -1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.564 -0.067 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.415 -1.536 -0.240 1.00 0.00 H new ATOM 1102 N ILE A 77 10.543 -4.999 -1.307 1.00 0.00 N ATOM 1103 CA ILE A 77 9.524 -5.553 -0.444 1.00 0.00 C ATOM 1104 C ILE A 77 8.517 -6.359 -1.247 1.00 0.00 C ATOM 1105 O ILE A 77 8.121 -5.973 -2.348 1.00 0.00 O ATOM 1106 CB ILE A 77 8.793 -4.455 0.348 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.802 -3.568 1.079 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.822 -5.060 1.342 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.660 -4.321 2.073 1.00 0.00 C ATOM 0 H ILE A 77 10.419 -4.014 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 77 10.027 -6.211 0.265 1.00 0.00 H new ATOM 0 HB ILE A 77 8.229 -3.847 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.448 -3.086 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.266 -2.776 1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.318 -4.263 1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.083 -5.659 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.366 -5.693 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.352 -3.629 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.023 -4.781 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.224 -5.096 1.553 1.00 0.00 H new ATOM 1121 N ILE A 78 8.112 -7.473 -0.680 1.00 0.00 N ATOM 1122 CA ILE A 78 7.173 -8.373 -1.338 1.00 0.00 C ATOM 1123 C ILE A 78 5.847 -8.379 -0.602 1.00 0.00 C ATOM 1124 O ILE A 78 5.796 -8.653 0.590 1.00 0.00 O ATOM 1125 CB ILE A 78 7.697 -9.828 -1.438 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.855 -9.929 -2.427 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.583 -10.783 -1.847 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.190 -9.564 -1.835 1.00 0.00 C ATOM 0 H ILE A 78 8.417 -7.785 0.242 1.00 0.00 H new ATOM 0 HA ILE A 78 7.047 -7.995 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 78 8.057 -10.113 -0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.905 -10.948 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.654 -9.276 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.978 -11.797 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.785 -10.750 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.188 -10.487 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.964 -9.659 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.160 -8.535 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.414 -10.232 -1.004 1.00 0.00 H new ATOM 1140 N CYS A 79 4.788 -8.070 -1.315 1.00 0.00 N ATOM 1141 CA CYS A 79 3.451 -8.093 -0.750 1.00 0.00 C ATOM 1142 C CYS A 79 2.723 -9.372 -1.160 1.00 0.00 C ATOM 1143 O CYS A 79 2.973 -9.916 -2.235 1.00 0.00 O ATOM 1144 CB CYS A 79 2.680 -6.874 -1.228 1.00 0.00 C ATOM 1145 SG CYS A 79 2.907 -6.548 -2.985 1.00 0.00 S ATOM 0 H CYS A 79 4.824 -7.797 -2.297 1.00 0.00 H new ATOM 0 HA CYS A 79 3.521 -8.072 0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.619 -7.018 -1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.999 -6.002 -0.657 1.00 0.00 H new ATOM 0 HG CYS A 79 1.886 -7.006 -3.647 1.00 0.00 H new ATOM 1151 N THR A 80 1.825 -9.845 -0.308 1.00 0.00 N ATOM 1152 CA THR A 80 1.112 -11.080 -0.569 1.00 0.00 C ATOM 1153 C THR A 80 -0.396 -10.936 -0.359 1.00 0.00 C ATOM 1154 O THR A 80 -0.873 -10.968 0.773 1.00 0.00 O ATOM 1155 CB THR A 80 1.613 -12.195 0.360 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.979 -12.515 0.072 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.736 -13.425 0.232 1.00 0.00 C ATOM 0 H THR A 80 1.575 -9.389 0.570 1.00 0.00 H new ATOM 0 HA THR A 80 1.302 -11.329 -1.613 1.00 0.00 H new ATOM 0 HB THR A 80 1.556 -11.839 1.389 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.566 -12.031 0.690 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.105 -14.206 0.897 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.289 -13.171 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.760 -13.784 -0.797 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.150 -10.804 -1.434 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.590 -10.861 -1.322 1.00 0.00 C ATOM 1167 C CYS A 81 -3.003 -12.308 -1.495 1.00 0.00 C ATOM 1168 O CYS A 81 -2.512 -13.009 -2.381 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.272 -9.958 -2.346 1.00 0.00 C ATOM 1170 SG CYS A 81 -3.134 -10.540 -4.052 1.00 0.00 S ATOM 0 H CYS A 81 -0.794 -10.659 -2.379 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.903 -10.494 -0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.327 -9.867 -2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.841 -8.959 -2.278 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.818 -11.801 -4.056 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.884 -12.746 -0.641 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.162 -14.160 -0.488 1.00 0.00 C ATOM 1178 C LYS A 82 -5.559 -14.521 -0.976 1.00 0.00 C ATOM 1179 O LYS A 82 -6.275 -13.680 -1.515 1.00 0.00 O ATOM 1180 CB LYS A 82 -3.982 -14.539 0.976 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.559 -14.333 1.474 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.474 -14.405 2.987 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.897 -15.763 3.509 1.00 0.00 C ATOM 1184 NZ LYS A 82 -1.869 -16.809 3.271 1.00 0.00 N ATOM 0 H LYS A 82 -4.432 -12.141 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.463 -14.724 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.664 -13.946 1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.261 -15.584 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.908 -15.090 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.192 -13.364 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.452 -14.195 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.108 -13.634 3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.097 -15.692 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.830 -16.059 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.206 -17.719 3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.695 -16.899 2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.985 -16.543 3.751 1.00 0.00 H new ATOM 1198 N GLU A 83 -5.930 -15.778 -0.796 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.230 -16.276 -1.232 1.00 0.00 C ATOM 1200 C GLU A 83 -8.400 -15.437 -0.698 1.00 0.00 C ATOM 1201 O GLU A 83 -9.287 -15.071 -1.470 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.386 -17.750 -0.839 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.730 -18.356 -1.212 1.00 0.00 C ATOM 1204 CD GLU A 83 -8.800 -19.837 -0.904 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -8.505 -20.226 0.245 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -9.160 -20.622 -1.809 1.00 0.00 O ATOM 0 H GLU A 83 -5.344 -16.481 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.263 -16.188 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.595 -18.327 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.244 -17.844 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.522 -17.837 -0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.914 -18.199 -2.275 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.433 -15.096 0.610 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.523 -14.291 1.165 1.00 0.00 C ATOM 1215 C PRO A 84 -9.453 -12.818 0.763 1.00 0.00 C ATOM 1216 O PRO A 84 -10.172 -11.991 1.320 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.326 -14.423 2.676 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.873 -14.668 2.846 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.452 -15.473 1.652 1.00 0.00 C ATOM 0 HA PRO A 84 -10.491 -14.636 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.639 -13.518 3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.916 -15.244 3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.322 -13.729 2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.673 -15.208 3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.433 -15.234 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.480 -16.543 1.860 1.00 0.00 H new ATOM 1227 N THR A 85 -8.614 -12.476 -0.208 1.00 0.00 N ATOM 1228 CA THR A 85 -8.439 -11.073 -0.553 1.00 0.00 C ATOM 1229 C THR A 85 -8.756 -10.786 -2.026 1.00 0.00 C ATOM 1230 O THR A 85 -7.990 -11.135 -2.925 1.00 0.00 O ATOM 1231 CB THR A 85 -7.027 -10.545 -0.188 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.023 -11.192 -0.962 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.733 -10.750 1.293 1.00 0.00 C ATOM 0 H THR A 85 -8.058 -13.132 -0.757 1.00 0.00 H new ATOM 0 HA THR A 85 -9.164 -10.530 0.054 1.00 0.00 H new ATOM 0 HB THR A 85 -7.013 -9.478 -0.409 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.403 -11.987 -1.392 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.737 -10.371 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.471 -10.213 1.888 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.780 -11.813 1.530 1.00 0.00 H new ATOM 1241 N PRO A 86 -9.938 -10.183 -2.267 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.388 -9.696 -3.585 1.00 0.00 C ATOM 1243 C PRO A 86 -9.329 -8.998 -4.476 1.00 0.00 C ATOM 1244 O PRO A 86 -9.456 -9.042 -5.699 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.508 -8.724 -3.179 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.151 -9.418 -2.044 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.010 -9.997 -1.255 1.00 0.00 C ATOM 0 HA PRO A 86 -10.675 -10.527 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.113 -7.751 -2.886 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.208 -8.551 -3.996 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.740 -8.728 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.829 -10.198 -2.390 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.694 -9.325 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.286 -10.942 -0.786 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.293 -8.351 -3.912 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.314 -7.651 -4.770 1.00 0.00 C ATOM 1257 C ASN A 87 -5.994 -7.343 -4.072 1.00 0.00 C ATOM 1258 O ASN A 87 -5.872 -7.462 -2.859 1.00 0.00 O ATOM 1259 CB ASN A 87 -7.883 -6.337 -5.304 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.094 -5.766 -6.465 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.941 -4.454 -6.467 1.00 0.00 O flip ATOM 1262 ND2 ASN A 87 -6.595 -6.499 -7.321 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.113 -8.296 -2.909 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.114 -8.347 -5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.914 -6.498 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.907 -5.605 -4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.741 -7.507 -7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.036 -6.097 -8.073 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.014 -6.959 -4.885 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.782 -6.337 -4.423 1.00 0.00 C ATOM 1271 C ALA A 88 -3.588 -5.034 -5.188 1.00 0.00 C ATOM 1272 O ALA A 88 -3.279 -5.036 -6.379 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.585 -7.250 -4.624 1.00 0.00 C ATOM 0 H ALA A 88 -5.056 -7.074 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.859 -6.142 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.683 -6.752 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.734 -8.174 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.477 -7.481 -5.684 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.799 -3.933 -4.496 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.744 -2.620 -5.069 1.00 0.00 C ATOM 1281 C TYR A 89 -2.314 -2.118 -5.067 1.00 0.00 C ATOM 1282 O TYR A 89 -1.639 -2.211 -4.045 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.604 -1.741 -4.197 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.409 -0.737 -4.925 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -4.929 0.531 -5.205 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.679 -1.063 -5.298 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -5.718 1.451 -5.860 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.472 -0.165 -5.935 1.00 0.00 C ATOM 1289 CZ TYR A 89 -6.997 1.098 -6.224 1.00 0.00 C ATOM 1290 OH TYR A 89 -7.805 2.011 -6.865 1.00 0.00 O ATOM 0 H TYR A 89 -4.017 -3.935 -3.500 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.096 -2.618 -6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.277 -2.375 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.963 -1.223 -3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.927 0.801 -4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.060 -2.051 -5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.338 2.436 -6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.478 -0.439 -6.217 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.461 2.369 -6.231 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.859 -1.581 -6.194 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.459 -1.203 -6.339 1.00 0.00 C ATOM 1302 C TYR A 90 0.422 -2.377 -5.973 1.00 0.00 C ATOM 1303 O TYR A 90 1.277 -2.285 -5.097 1.00 0.00 O ATOM 1304 CB TYR A 90 -0.132 0.044 -5.502 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.647 1.312 -6.145 1.00 0.00 C ATOM 1306 CD1 TYR A 90 0.130 2.013 -7.060 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -1.913 1.796 -5.859 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -0.342 3.161 -7.668 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -2.394 2.941 -6.465 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.604 3.621 -7.366 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.082 4.761 -7.973 1.00 0.00 O ATOM 0 H TYR A 90 -2.436 -1.399 -7.015 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.265 -0.940 -7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.569 -0.062 -4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.947 0.118 -5.369 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.120 1.654 -7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.535 1.269 -5.150 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.276 3.694 -8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.385 3.301 -6.233 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.988 4.948 -7.651 1.00 0.00 H new ATOM 1321 N GLU A 91 0.151 -3.501 -6.641 1.00 0.00 N ATOM 1322 CA GLU A 91 0.924 -4.731 -6.510 1.00 0.00 C ATOM 1323 C GLU A 91 0.652 -5.439 -5.181 1.00 0.00 C ATOM 1324 O GLU A 91 0.848 -6.647 -5.056 1.00 0.00 O ATOM 1325 CB GLU A 91 2.407 -4.424 -6.669 1.00 0.00 C ATOM 1326 CG GLU A 91 2.708 -3.492 -7.831 1.00 0.00 C ATOM 1327 CD GLU A 91 2.823 -4.219 -9.150 1.00 0.00 C ATOM 1328 OE1 GLU A 91 3.592 -5.198 -9.227 1.00 0.00 O ATOM 1329 OE2 GLU A 91 2.142 -3.819 -10.118 1.00 0.00 O ATOM 0 H GLU A 91 -0.625 -3.580 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 91 0.612 -5.414 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.779 -3.976 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.951 -5.358 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 91 1.921 -2.742 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.638 -2.960 -7.632 1.00 0.00 H new ATOM 1336 N GLY A 92 0.175 -4.684 -4.211 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.087 -5.228 -2.895 1.00 0.00 C ATOM 1338 C GLY A 92 0.146 -4.217 -1.789 1.00 0.00 C ATOM 1339 O GLY A 92 0.294 -4.589 -0.626 1.00 0.00 O ATOM 0 H GLY A 92 -0.039 -3.692 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.118 -5.579 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.553 -6.095 -2.730 1.00 0.00 H new ATOM 1343 N VAL A 93 0.204 -2.938 -2.152 1.00 0.00 N ATOM 1344 CA VAL A 93 0.234 -1.863 -1.165 1.00 0.00 C ATOM 1345 C VAL A 93 -1.114 -1.801 -0.464 1.00 0.00 C ATOM 1346 O VAL A 93 -1.242 -1.333 0.669 1.00 0.00 O ATOM 1347 CB VAL A 93 0.537 -0.499 -1.819 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.712 0.585 -0.775 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.775 -0.591 -2.691 1.00 0.00 C ATOM 0 H VAL A 93 0.231 -2.621 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 93 1.029 -2.074 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.316 -0.233 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.924 1.534 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.203 0.677 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.540 0.325 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.974 0.380 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.628 -0.888 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.614 -1.331 -3.475 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.122 -2.277 -1.177 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.472 -2.382 -0.659 1.00 0.00 C ATOM 1361 C PHE A 94 -4.133 -3.567 -1.293 1.00 0.00 C ATOM 1362 O PHE A 94 -3.493 -4.423 -1.904 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.346 -1.154 -0.971 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.601 0.126 -1.047 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.808 0.402 -2.138 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.683 1.047 -0.028 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.110 1.558 -2.217 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.984 2.222 -0.101 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.195 2.478 -1.195 1.00 0.00 C ATOM 0 H PHE A 94 -2.023 -2.603 -2.138 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.386 -2.469 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.858 -1.319 -1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.116 -1.067 -0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.742 -0.315 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.302 0.842 0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.489 1.759 -3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.053 2.945 0.699 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.640 3.402 -1.255 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.414 -3.588 -1.130 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.263 -4.579 -1.686 1.00 0.00 C ATOM 1381 C CYS A 95 -7.516 -3.855 -2.186 1.00 0.00 C ATOM 1382 O CYS A 95 -7.594 -2.648 -2.043 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.513 -5.624 -0.615 1.00 0.00 C ATOM 1384 SG CYS A 95 -7.144 -4.950 0.938 1.00 0.00 S ATOM 0 H CYS A 95 -5.914 -2.886 -0.584 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.839 -5.112 -2.537 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.224 -6.357 -0.996 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.582 -6.156 -0.417 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.191 -4.316 1.555 1.00 0.00 H new ATOM 1390 N SER A 96 -8.427 -4.528 -2.862 1.00 0.00 N ATOM 1391 CA SER A 96 -9.584 -3.851 -3.460 1.00 0.00 C ATOM 1392 C SER A 96 -10.601 -4.881 -3.925 1.00 0.00 C ATOM 1393 O SER A 96 -10.349 -6.077 -3.835 1.00 0.00 O ATOM 1394 CB SER A 96 -9.155 -2.985 -4.639 1.00 0.00 C ATOM 1395 OG SER A 96 -10.064 -1.918 -4.848 1.00 0.00 O ATOM 0 H SER A 96 -8.398 -5.536 -3.016 1.00 0.00 H new ATOM 0 HA SER A 96 -10.035 -3.209 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.157 -2.586 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.094 -3.596 -5.539 1.00 0.00 H new ATOM 0 HG SER A 96 -10.079 -1.683 -5.799 1.00 0.00 H new ATOM 1401 N SER A 97 -11.755 -4.433 -4.401 1.00 0.00 N ATOM 1402 CA SER A 97 -12.777 -5.354 -4.884 1.00 0.00 C ATOM 1403 C SER A 97 -12.393 -5.845 -6.278 1.00 0.00 C ATOM 1404 O SER A 97 -13.180 -5.758 -7.223 1.00 0.00 O ATOM 1405 CB SER A 97 -14.147 -4.677 -4.915 1.00 0.00 C ATOM 1406 OG SER A 97 -15.185 -5.623 -5.112 1.00 0.00 O ATOM 0 H SER A 97 -12.006 -3.446 -4.463 1.00 0.00 H new ATOM 0 HA SER A 97 -12.840 -6.204 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.312 -4.142 -3.980 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.171 -3.936 -5.714 1.00 0.00 H new ATOM 0 HG SER A 97 -15.046 -6.089 -5.963 1.00 0.00 H new