USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=32 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 20 CYS SG : rot -11:sc= 0.162 USER MOD Set 1.2: A 89 TYR OH : rot -44:sc= 0.164 USER MOD Set 2.1: A 62 THR OG1 : rot -34:sc= 1.27 USER MOD Set 2.2: A 81 CYS SG : rot 71:sc= -1.47 USER MOD Set 3.1: A 48 ASN :FLIP amide:sc= -0.037 F(o=-6.5!,f=-3.1) USER MOD Set 3.2: A 73 ASN : amide:sc= -3.04! C(o=-3.1!,f=-6.8!) USER MOD Set 4.1: A 56 ASN : amide:sc= -3.5! C(o=-3.9!,f=-8.7!) USER MOD Set 4.2: A 65 CYS SG : rot -140:sc= -0.367 USER MOD Set 5.1: A 32 CYS SG : rot 180:sc= 0.236 USER MOD Set 5.2: A 44 CYS SG : rot -78:sc= -8.3! USER MOD Set 5.3: A 55 ASN : amide:sc= -1.34 K(o=-9.4,f=-11) USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 1.21 (180deg=0.895) USER MOD Single : A 6 HIS : no HD1:sc= -3.5! K(o=-3.5!,f=-4.3) USER MOD Single : A 8 CYS SG : rot 139:sc= -8.65! USER MOD Single : A 11 THR OG1 : rot -3:sc= 1.02 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc=-0.00216 (180deg=-0.0782) USER MOD Single : A 17 ASN : amide:sc= 0.833 K(o=0.83,f=-0.8) USER MOD Single : A 27 THR OG1 : rot 101:sc= 1.3 USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= 2.29 (180deg=1.66) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -0.0833 (180deg=-0.397) USER MOD Single : A 42 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.9!) USER MOD Single : A 43 THR OG1 : rot -130:sc= -3.21! USER MOD Single : A 47 ASN : amide:sc= -0.849 K(o=-0.85,f=-7.8!) USER MOD Single : A 49 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -37:sc= -6.5! USER MOD Single : A 59 CYS SG : rot -176:sc= -5.93! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.017) USER MOD Single : A 67 ASN : amide:sc= 0.267 K(o=0.27,f=-4.5!) USER MOD Single : A 70 SER OG : rot 12:sc= 0.4 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 74 SER OG : rot 39:sc= 1.03 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -126:sc= 0.255 (180deg=-0.478) USER MOD Single : A 79 CYS SG : rot 95:sc= 0.581 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 1:sc= 1.22 USER MOD Single : A 87 ASN : amide:sc= -2.54! X(o=-2.5!,f=-2.2) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -71:sc= 0.259 USER MOD Single : A 96 SER OG : rot 151:sc= 1.37 USER MOD Single : A 97 SER OG : rot 145:sc= -2.98! USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.186 -8.529 3.577 1.00 0.00 N ATOM 27 CA ASP A 3 -11.716 -8.672 2.229 1.00 0.00 C ATOM 28 C ASP A 3 -11.617 -7.355 1.462 1.00 0.00 C ATOM 29 O ASP A 3 -12.510 -6.532 1.541 1.00 0.00 O ATOM 30 CB ASP A 3 -13.173 -9.112 2.286 1.00 0.00 C ATOM 31 CG ASP A 3 -13.372 -10.565 1.921 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.272 -11.428 2.814 1.00 0.00 O ATOM 33 OD2 ASP A 3 -13.663 -10.841 0.737 1.00 0.00 O ATOM 0 HA ASP A 3 -11.124 -9.426 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.558 -8.941 3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.760 -8.491 1.610 1.00 0.00 H new ATOM 38 N PRO A 4 -10.544 -7.208 0.668 1.00 0.00 N ATOM 39 CA PRO A 4 -10.183 -6.027 -0.146 1.00 0.00 C ATOM 40 C PRO A 4 -11.300 -5.187 -0.772 1.00 0.00 C ATOM 41 O PRO A 4 -11.050 -4.033 -1.079 1.00 0.00 O ATOM 42 CB PRO A 4 -9.422 -6.709 -1.274 1.00 0.00 C ATOM 43 CG PRO A 4 -8.690 -7.815 -0.629 1.00 0.00 C ATOM 44 CD PRO A 4 -9.459 -8.190 0.600 1.00 0.00 C ATOM 0 HA PRO A 4 -9.684 -5.292 0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.102 -7.080 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.738 -6.016 -1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.603 -8.666 -1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.676 -7.508 -0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.847 -9.206 0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.830 -8.149 1.489 1.00 0.00 H new ATOM 52 N LYS A 5 -12.495 -5.735 -0.953 1.00 0.00 N ATOM 53 CA LYS A 5 -13.642 -5.026 -1.586 1.00 0.00 C ATOM 54 C LYS A 5 -14.005 -3.648 -0.958 1.00 0.00 C ATOM 55 O LYS A 5 -15.084 -3.115 -1.196 1.00 0.00 O ATOM 56 CB LYS A 5 -14.855 -5.930 -1.621 1.00 0.00 C ATOM 57 CG LYS A 5 -15.171 -6.532 -0.292 1.00 0.00 C ATOM 58 CD LYS A 5 -15.414 -8.013 -0.446 1.00 0.00 C ATOM 59 CE LYS A 5 -16.106 -8.600 0.772 1.00 0.00 C ATOM 60 NZ LYS A 5 -16.298 -10.071 0.647 1.00 0.00 N ATOM 0 H LYS A 5 -12.715 -6.690 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.310 -4.789 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.716 -5.360 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.686 -6.728 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.347 -6.360 0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.052 -6.052 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.024 -8.191 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.464 -8.523 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.516 -8.385 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.074 -8.118 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.648 -10.453 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.990 -10.268 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.391 -10.521 0.409 1.00 0.00 H new ATOM 74 N HIS A 6 -13.127 -3.146 -0.104 1.00 0.00 N ATOM 75 CA HIS A 6 -13.231 -1.855 0.607 1.00 0.00 C ATOM 76 C HIS A 6 -13.153 -0.648 -0.340 1.00 0.00 C ATOM 77 O HIS A 6 -12.697 0.409 0.053 1.00 0.00 O ATOM 78 CB HIS A 6 -12.054 -1.735 1.577 1.00 0.00 C ATOM 79 CG HIS A 6 -11.910 -2.832 2.557 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.054 -2.780 3.630 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.459 -4.043 2.574 1.00 0.00 C ATOM 82 CE1 HIS A 6 -11.095 -3.928 4.265 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.952 -4.715 3.650 1.00 0.00 N ATOM 0 H HIS A 6 -12.271 -3.646 0.134 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.198 -1.845 1.110 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.134 -1.670 0.996 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.153 -0.797 2.123 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.177 -4.427 1.864 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.522 -4.184 5.144 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.196 -5.665 3.929 1.00 0.00 H new ATOM 92 N VAL A 7 -13.585 -0.842 -1.563 1.00 0.00 N ATOM 93 CA VAL A 7 -13.467 0.134 -2.663 1.00 0.00 C ATOM 94 C VAL A 7 -13.597 1.614 -2.253 1.00 0.00 C ATOM 95 O VAL A 7 -14.459 1.994 -1.456 1.00 0.00 O ATOM 96 CB VAL A 7 -14.500 -0.210 -3.756 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.635 -0.995 -3.147 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.032 1.024 -4.448 1.00 0.00 C ATOM 0 H VAL A 7 -14.046 -1.706 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.446 0.041 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.997 -0.811 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.365 -1.238 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.248 -1.916 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.114 -0.399 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.756 0.731 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.516 1.671 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.208 1.561 -4.918 1.00 0.00 H new ATOM 108 N CYS A 8 -12.718 2.438 -2.836 1.00 0.00 N ATOM 109 CA CYS A 8 -12.696 3.877 -2.593 1.00 0.00 C ATOM 110 C CYS A 8 -13.303 4.630 -3.763 1.00 0.00 C ATOM 111 O CYS A 8 -13.495 4.078 -4.848 1.00 0.00 O ATOM 112 CB CYS A 8 -11.268 4.356 -2.366 1.00 0.00 C ATOM 113 SG CYS A 8 -11.121 5.611 -1.069 1.00 0.00 S ATOM 0 H CYS A 8 -12.003 2.121 -3.490 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.288 4.076 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.644 3.501 -2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.877 4.762 -3.299 1.00 0.00 H new ATOM 0 HG CYS A 8 -10.065 5.370 -0.350 1.00 0.00 H new ATOM 119 N VAL A 9 -13.609 5.897 -3.526 1.00 0.00 N ATOM 120 CA VAL A 9 -14.275 6.720 -4.518 1.00 0.00 C ATOM 121 C VAL A 9 -13.557 8.055 -4.694 1.00 0.00 C ATOM 122 O VAL A 9 -13.255 8.476 -5.809 1.00 0.00 O ATOM 123 CB VAL A 9 -15.730 7.007 -4.099 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.440 7.856 -5.141 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.489 5.714 -3.838 1.00 0.00 C ATOM 0 H VAL A 9 -13.404 6.377 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.259 6.168 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.704 7.573 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.465 8.044 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.916 8.805 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.449 7.329 -6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.513 5.946 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.500 5.109 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.999 5.159 -3.038 1.00 0.00 H new ATOM 135 N ASP A 10 -13.289 8.710 -3.576 1.00 0.00 N ATOM 136 CA ASP A 10 -12.755 10.069 -3.578 1.00 0.00 C ATOM 137 C ASP A 10 -11.234 10.069 -3.643 1.00 0.00 C ATOM 138 O ASP A 10 -10.659 10.441 -4.663 1.00 0.00 O ATOM 139 CB ASP A 10 -13.229 10.805 -2.328 1.00 0.00 C ATOM 140 CG ASP A 10 -12.586 12.159 -2.172 1.00 0.00 C ATOM 141 OD1 ASP A 10 -13.061 13.122 -2.805 1.00 0.00 O ATOM 142 OD2 ASP A 10 -11.606 12.259 -1.409 1.00 0.00 O ATOM 0 H ASP A 10 -13.433 8.320 -2.644 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.124 10.581 -4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.312 10.924 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.009 10.199 -1.449 1.00 0.00 H new ATOM 147 N THR A 11 -10.598 9.656 -2.554 1.00 0.00 N ATOM 148 CA THR A 11 -9.137 9.570 -2.470 1.00 0.00 C ATOM 149 C THR A 11 -8.452 10.911 -2.787 1.00 0.00 C ATOM 150 O THR A 11 -7.367 10.942 -3.365 1.00 0.00 O ATOM 151 CB THR A 11 -8.575 8.448 -3.382 1.00 0.00 C ATOM 152 OG1 THR A 11 -8.716 8.776 -4.769 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.293 7.136 -3.112 1.00 0.00 C ATOM 0 H THR A 11 -11.077 9.370 -1.700 1.00 0.00 H new ATOM 0 HA THR A 11 -8.907 9.318 -1.435 1.00 0.00 H new ATOM 0 HB THR A 11 -7.514 8.347 -3.151 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.184 9.633 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.887 6.359 -3.760 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.150 6.851 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.358 7.256 -3.313 1.00 0.00 H new ATOM 161 N ARG A 12 -9.078 12.021 -2.391 1.00 0.00 N ATOM 162 CA ARG A 12 -8.479 13.334 -2.579 1.00 0.00 C ATOM 163 C ARG A 12 -7.463 13.598 -1.478 1.00 0.00 C ATOM 164 O ARG A 12 -6.614 14.482 -1.589 1.00 0.00 O ATOM 165 CB ARG A 12 -9.549 14.407 -2.582 1.00 0.00 C ATOM 166 CG ARG A 12 -9.885 14.854 -1.198 1.00 0.00 C ATOM 167 CD ARG A 12 -9.711 16.346 -1.053 1.00 0.00 C ATOM 168 NE ARG A 12 -8.306 16.749 -1.141 1.00 0.00 N ATOM 169 CZ ARG A 12 -7.860 17.983 -0.901 1.00 0.00 C ATOM 170 NH1 ARG A 12 -8.688 18.928 -0.473 1.00 0.00 N ATOM 171 NH2 ARG A 12 -6.572 18.268 -1.066 1.00 0.00 N ATOM 0 H ARG A 12 -9.994 12.033 -1.941 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.970 13.357 -3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.207 15.261 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.446 14.025 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.914 14.580 -0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.246 14.339 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.283 16.854 -1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.120 16.667 -0.095 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.623 16.039 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.674 18.713 -0.325 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.338 19.869 -0.292 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.925 17.543 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.231 19.212 -0.883 1.00 0.00 H new ATOM 185 N ASP A 13 -7.578 12.829 -0.407 1.00 0.00 N ATOM 186 CA ASP A 13 -6.662 12.926 0.724 1.00 0.00 C ATOM 187 C ASP A 13 -5.397 12.133 0.451 1.00 0.00 C ATOM 188 O ASP A 13 -4.463 12.133 1.250 1.00 0.00 O ATOM 189 CB ASP A 13 -7.329 12.385 1.990 1.00 0.00 C ATOM 190 CG ASP A 13 -8.594 13.136 2.349 1.00 0.00 C ATOM 191 OD1 ASP A 13 -8.502 14.145 3.079 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.682 12.722 1.899 1.00 0.00 O ATOM 0 H ASP A 13 -8.305 12.122 -0.295 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.405 13.976 0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.565 11.330 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.626 12.447 2.821 1.00 0.00 H new ATOM 197 N ILE A 14 -5.387 11.455 -0.684 1.00 0.00 N ATOM 198 CA ILE A 14 -4.295 10.566 -1.052 1.00 0.00 C ATOM 199 C ILE A 14 -3.130 11.361 -1.660 1.00 0.00 C ATOM 200 O ILE A 14 -3.257 11.963 -2.730 1.00 0.00 O ATOM 201 CB ILE A 14 -4.796 9.472 -2.032 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.555 8.346 -1.287 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.634 8.882 -2.830 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.604 8.807 -0.285 1.00 0.00 C ATOM 0 H ILE A 14 -6.134 11.504 -1.377 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.929 10.073 -0.151 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.490 9.950 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.041 7.710 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.826 7.727 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.010 8.118 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.149 9.671 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.912 8.436 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.072 7.938 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.129 9.416 0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.363 9.398 -0.798 1.00 0.00 H new ATOM 216 N PRO A 15 -1.999 11.408 -0.934 1.00 0.00 N ATOM 217 CA PRO A 15 -0.795 12.148 -1.337 1.00 0.00 C ATOM 218 C PRO A 15 -0.062 11.566 -2.541 1.00 0.00 C ATOM 219 O PRO A 15 -0.478 10.575 -3.143 1.00 0.00 O ATOM 220 CB PRO A 15 0.124 12.055 -0.117 1.00 0.00 C ATOM 221 CG PRO A 15 -0.735 11.599 1.000 1.00 0.00 C ATOM 222 CD PRO A 15 -1.829 10.784 0.381 1.00 0.00 C ATOM 0 HA PRO A 15 -1.075 13.158 -1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.940 11.354 -0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.576 13.021 0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.163 11.005 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.144 12.448 1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.552 9.733 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.746 10.825 0.969 1.00 0.00 H new ATOM 230 N LYS A 16 1.043 12.219 -2.873 1.00 0.00 N ATOM 231 CA LYS A 16 1.938 11.793 -3.935 1.00 0.00 C ATOM 232 C LYS A 16 2.561 10.435 -3.641 1.00 0.00 C ATOM 233 O LYS A 16 2.870 10.133 -2.487 1.00 0.00 O ATOM 234 CB LYS A 16 3.053 12.816 -4.065 1.00 0.00 C ATOM 235 CG LYS A 16 3.269 13.308 -5.473 1.00 0.00 C ATOM 236 CD LYS A 16 3.812 12.221 -6.382 1.00 0.00 C ATOM 237 CE LYS A 16 4.274 12.784 -7.717 1.00 0.00 C ATOM 238 NZ LYS A 16 3.229 13.604 -8.387 1.00 0.00 N ATOM 0 H LYS A 16 1.346 13.073 -2.404 1.00 0.00 H new ATOM 0 HA LYS A 16 1.360 11.711 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.828 13.668 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.980 12.377 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.326 13.679 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.963 14.149 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.645 11.718 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.041 11.469 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.164 13.394 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.561 11.962 -8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.528 13.821 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.334 13.074 -8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.093 14.491 -7.861 1.00 0.00 H new ATOM 252 N ASN A 17 2.739 9.624 -4.695 1.00 0.00 N ATOM 253 CA ASN A 17 3.458 8.345 -4.605 1.00 0.00 C ATOM 254 C ASN A 17 2.723 7.367 -3.702 1.00 0.00 C ATOM 255 O ASN A 17 3.243 6.302 -3.333 1.00 0.00 O ATOM 256 CB ASN A 17 4.873 8.578 -4.085 1.00 0.00 C ATOM 257 CG ASN A 17 5.705 9.442 -5.010 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.661 9.298 -6.230 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.433 10.377 -4.427 1.00 0.00 N ATOM 0 H ASN A 17 2.390 9.836 -5.630 1.00 0.00 H new ATOM 0 HA ASN A 17 3.509 7.911 -5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.821 9.050 -3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.368 7.616 -3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.990 11.017 -4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.439 10.459 -3.410 1.00 0.00 H new ATOM 266 N ALA A 18 1.513 7.744 -3.357 1.00 0.00 N ATOM 267 CA ALA A 18 0.681 6.955 -2.492 1.00 0.00 C ATOM 268 C ALA A 18 -0.450 6.337 -3.288 1.00 0.00 C ATOM 269 O ALA A 18 -1.070 6.996 -4.127 1.00 0.00 O ATOM 270 CB ALA A 18 0.135 7.827 -1.368 1.00 0.00 C ATOM 0 H ALA A 18 1.080 8.612 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 18 1.273 6.152 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.496 7.225 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.964 8.241 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.454 8.640 -1.792 1.00 0.00 H new ATOM 276 N GLY A 19 -0.689 5.068 -3.046 1.00 0.00 N ATOM 277 CA GLY A 19 -1.805 4.400 -3.663 1.00 0.00 C ATOM 278 C GLY A 19 -3.087 4.750 -2.944 1.00 0.00 C ATOM 279 O GLY A 19 -3.049 5.166 -1.785 1.00 0.00 O ATOM 0 H GLY A 19 -0.127 4.482 -2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.877 4.690 -4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.650 3.321 -3.640 1.00 0.00 H new ATOM 283 N CYS A 20 -4.216 4.595 -3.599 1.00 0.00 N ATOM 284 CA CYS A 20 -5.461 5.008 -3.005 1.00 0.00 C ATOM 285 C CYS A 20 -6.305 3.802 -2.610 1.00 0.00 C ATOM 286 O CYS A 20 -6.391 2.819 -3.348 1.00 0.00 O ATOM 287 CB CYS A 20 -6.210 5.913 -3.974 1.00 0.00 C ATOM 288 SG CYS A 20 -6.770 5.084 -5.479 1.00 0.00 S ATOM 0 H CYS A 20 -4.295 4.191 -4.532 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.252 5.567 -2.093 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.074 6.337 -3.463 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.563 6.745 -4.250 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.216 3.911 -5.560 1.00 0.00 H new ATOM 294 N PHE A 21 -6.906 3.883 -1.433 1.00 0.00 N ATOM 295 CA PHE A 21 -7.683 2.786 -0.878 1.00 0.00 C ATOM 296 C PHE A 21 -8.764 3.344 0.038 1.00 0.00 C ATOM 297 O PHE A 21 -8.672 4.473 0.487 1.00 0.00 O ATOM 298 CB PHE A 21 -6.753 1.838 -0.110 1.00 0.00 C ATOM 299 CG PHE A 21 -7.413 0.610 0.464 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.132 -0.265 -0.340 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.293 0.324 1.814 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.718 -1.401 0.203 1.00 0.00 C ATOM 303 CE2 PHE A 21 -7.877 -0.808 2.354 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.588 -1.669 1.543 1.00 0.00 C ATOM 0 H PHE A 21 -6.869 4.710 -0.837 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.163 2.226 -1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.953 1.521 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.287 2.394 0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.236 -0.060 -1.395 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.736 0.993 2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.277 -2.075 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.777 -1.018 3.409 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.042 -2.554 1.963 1.00 0.00 H new ATOM 314 N ARG A 22 -9.838 2.609 0.209 1.00 0.00 N ATOM 315 CA ARG A 22 -10.808 2.889 1.249 1.00 0.00 C ATOM 316 C ARG A 22 -10.878 1.671 2.127 1.00 0.00 C ATOM 317 O ARG A 22 -10.587 0.588 1.660 1.00 0.00 O ATOM 318 CB ARG A 22 -12.188 3.175 0.672 1.00 0.00 C ATOM 319 CG ARG A 22 -13.093 3.927 1.626 1.00 0.00 C ATOM 320 CD ARG A 22 -13.936 4.949 0.892 1.00 0.00 C ATOM 321 NE ARG A 22 -14.849 5.652 1.787 1.00 0.00 N ATOM 322 CZ ARG A 22 -16.121 5.914 1.505 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.669 5.446 0.391 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.852 6.615 2.362 1.00 0.00 N ATOM 0 H ARG A 22 -10.067 1.799 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.500 3.774 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.078 3.754 -0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.662 2.232 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.742 3.223 2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.491 4.426 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.284 5.671 0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.508 4.451 0.109 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.487 5.963 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.114 4.883 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.646 5.650 0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.437 6.950 3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.829 6.819 2.151 1.00 0.00 H new ATOM 338 N ASP A 23 -11.159 1.824 3.396 1.00 0.00 N ATOM 339 CA ASP A 23 -11.369 0.642 4.213 1.00 0.00 C ATOM 340 C ASP A 23 -12.857 0.441 4.462 1.00 0.00 C ATOM 341 O ASP A 23 -13.656 1.340 4.206 1.00 0.00 O ATOM 342 CB ASP A 23 -10.597 0.744 5.535 1.00 0.00 C ATOM 343 CG ASP A 23 -10.798 -0.471 6.415 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.279 -1.550 6.067 1.00 0.00 O ATOM 345 OD2 ASP A 23 -11.509 -0.363 7.432 1.00 0.00 O ATOM 0 H ASP A 23 -11.247 2.718 3.879 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.986 -0.226 3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.534 0.865 5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.919 1.636 6.073 1.00 0.00 H new ATOM 350 N ASP A 24 -13.219 -0.741 4.953 1.00 0.00 N ATOM 351 CA ASP A 24 -14.613 -1.096 5.205 1.00 0.00 C ATOM 352 C ASP A 24 -15.225 -0.159 6.244 1.00 0.00 C ATOM 353 O ASP A 24 -16.444 -0.019 6.341 1.00 0.00 O ATOM 354 CB ASP A 24 -14.692 -2.548 5.680 1.00 0.00 C ATOM 355 CG ASP A 24 -16.109 -3.081 5.696 1.00 0.00 C ATOM 356 OD1 ASP A 24 -16.614 -3.455 4.618 1.00 0.00 O ATOM 357 OD2 ASP A 24 -16.719 -3.139 6.782 1.00 0.00 O ATOM 0 H ASP A 24 -12.555 -1.479 5.187 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.180 -0.991 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.080 -3.173 5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.269 -2.622 6.682 1.00 0.00 H new ATOM 362 N ASP A 25 -14.353 0.496 7.001 1.00 0.00 N ATOM 363 CA ASP A 25 -14.760 1.514 7.962 1.00 0.00 C ATOM 364 C ASP A 25 -15.367 2.722 7.248 1.00 0.00 C ATOM 365 O ASP A 25 -16.227 3.417 7.791 1.00 0.00 O ATOM 366 CB ASP A 25 -13.543 1.943 8.785 1.00 0.00 C ATOM 367 CG ASP A 25 -13.776 3.208 9.584 1.00 0.00 C ATOM 368 OD1 ASP A 25 -14.495 3.156 10.600 1.00 0.00 O ATOM 369 OD2 ASP A 25 -13.214 4.256 9.209 1.00 0.00 O ATOM 0 H ASP A 25 -13.346 0.337 6.966 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.520 1.096 8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.271 1.136 9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.696 2.095 8.116 1.00 0.00 H new ATOM 374 N GLY A 26 -14.938 2.946 6.016 1.00 0.00 N ATOM 375 CA GLY A 26 -15.423 4.080 5.256 1.00 0.00 C ATOM 376 C GLY A 26 -14.373 5.158 5.120 1.00 0.00 C ATOM 377 O GLY A 26 -14.578 6.159 4.430 1.00 0.00 O ATOM 0 H GLY A 26 -14.260 2.361 5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.732 3.747 4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.306 4.493 5.744 1.00 0.00 H new ATOM 381 N THR A 27 -13.248 4.955 5.780 1.00 0.00 N ATOM 382 CA THR A 27 -12.137 5.881 5.696 1.00 0.00 C ATOM 383 C THR A 27 -11.309 5.629 4.447 1.00 0.00 C ATOM 384 O THR A 27 -10.952 4.487 4.152 1.00 0.00 O ATOM 385 CB THR A 27 -11.249 5.781 6.951 1.00 0.00 C ATOM 386 OG1 THR A 27 -11.980 6.235 8.097 1.00 0.00 O ATOM 387 CG2 THR A 27 -9.965 6.589 6.806 1.00 0.00 C ATOM 0 H THR A 27 -13.080 4.150 6.384 1.00 0.00 H new ATOM 0 HA THR A 27 -12.548 6.889 5.637 1.00 0.00 H new ATOM 0 HB THR A 27 -10.969 4.735 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.313 5.462 8.600 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.369 6.491 7.713 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.395 6.217 5.955 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.212 7.639 6.646 1.00 0.00 H new ATOM 395 N LYS A 28 -11.034 6.690 3.693 1.00 0.00 N ATOM 396 CA LYS A 28 -10.137 6.570 2.560 1.00 0.00 C ATOM 397 C LYS A 28 -8.723 6.585 3.084 1.00 0.00 C ATOM 398 O LYS A 28 -8.302 7.526 3.763 1.00 0.00 O ATOM 399 CB LYS A 28 -10.281 7.700 1.536 1.00 0.00 C ATOM 400 CG LYS A 28 -11.638 8.364 1.490 1.00 0.00 C ATOM 401 CD LYS A 28 -11.520 9.757 0.898 1.00 0.00 C ATOM 402 CE LYS A 28 -12.485 10.735 1.551 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.175 12.148 1.188 1.00 0.00 N ATOM 0 H LYS A 28 -11.414 7.624 3.846 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.388 5.642 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.530 8.460 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.056 7.302 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.325 7.764 0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.057 8.422 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.499 10.118 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.716 9.714 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.504 10.497 1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.441 10.620 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.969 12.760 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.314 12.453 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.025 12.218 0.161 1.00 0.00 H new ATOM 417 N GLU A 29 -8.009 5.548 2.778 1.00 0.00 N ATOM 418 CA GLU A 29 -6.658 5.412 3.207 1.00 0.00 C ATOM 419 C GLU A 29 -5.715 5.607 2.061 1.00 0.00 C ATOM 420 O GLU A 29 -6.103 5.652 0.891 1.00 0.00 O ATOM 421 CB GLU A 29 -6.401 4.051 3.805 1.00 0.00 C ATOM 422 CG GLU A 29 -7.114 3.816 5.115 1.00 0.00 C ATOM 423 CD GLU A 29 -6.573 4.674 6.242 1.00 0.00 C ATOM 424 OE1 GLU A 29 -5.423 5.147 6.135 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.280 4.849 7.253 1.00 0.00 O ATOM 0 H GLU A 29 -8.352 4.767 2.219 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.490 6.177 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.710 3.287 3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.329 3.929 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.177 4.021 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.023 2.765 5.389 1.00 0.00 H new ATOM 432 N TRP A 30 -4.477 5.707 2.430 1.00 0.00 N ATOM 433 CA TRP A 30 -3.403 5.829 1.488 1.00 0.00 C ATOM 434 C TRP A 30 -2.168 5.258 2.113 1.00 0.00 C ATOM 435 O TRP A 30 -1.956 5.351 3.325 1.00 0.00 O ATOM 436 CB TRP A 30 -3.155 7.273 1.088 1.00 0.00 C ATOM 437 CG TRP A 30 -2.928 8.161 2.258 1.00 0.00 C ATOM 438 CD1 TRP A 30 -3.884 8.689 3.065 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.668 8.614 2.767 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.300 9.472 4.029 1.00 0.00 N ATOM 441 CE2 TRP A 30 -1.949 9.438 3.868 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.331 8.417 2.395 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -0.960 10.061 4.604 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.651 9.040 3.134 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.326 9.855 4.226 1.00 0.00 C ATOM 0 H TRP A 30 -4.177 5.706 3.405 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.670 5.287 0.581 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.289 7.319 0.428 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.009 7.640 0.519 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.946 8.518 2.963 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.798 9.995 4.750 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.077 7.793 1.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.202 10.689 5.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.688 8.898 2.867 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.120 10.332 4.781 1.00 0.00 H new ATOM 456 N ARG A 31 -1.378 4.653 1.292 1.00 0.00 N ATOM 457 CA ARG A 31 -0.166 4.031 1.720 1.00 0.00 C ATOM 458 C ARG A 31 0.888 4.368 0.738 1.00 0.00 C ATOM 459 O ARG A 31 0.605 4.851 -0.359 1.00 0.00 O ATOM 460 CB ARG A 31 -0.316 2.526 1.843 1.00 0.00 C ATOM 461 CG ARG A 31 -1.427 2.143 2.780 1.00 0.00 C ATOM 462 CD ARG A 31 -1.688 0.663 2.761 1.00 0.00 C ATOM 463 NE ARG A 31 -2.822 0.298 3.600 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.591 -0.751 3.350 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.316 -1.518 2.310 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.631 -1.029 4.127 1.00 0.00 N ATOM 0 H ARG A 31 -1.556 4.574 0.291 1.00 0.00 H new ATOM 0 HA ARG A 31 0.098 4.400 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.510 2.100 0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.621 2.097 2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.172 2.454 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.336 2.676 2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.876 0.341 1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.799 0.134 3.103 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.033 0.875 4.414 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.520 -1.299 1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.900 -2.329 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.845 -0.432 4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.216 -1.840 3.925 1.00 0.00 H new ATOM 480 N CYS A 32 2.080 4.064 1.096 1.00 0.00 N ATOM 481 CA CYS A 32 3.195 4.479 0.318 1.00 0.00 C ATOM 482 C CYS A 32 3.727 3.253 -0.353 1.00 0.00 C ATOM 483 O CYS A 32 3.973 2.246 0.301 1.00 0.00 O ATOM 484 CB CYS A 32 4.239 5.130 1.219 1.00 0.00 C ATOM 485 SG CYS A 32 3.756 5.226 2.960 1.00 0.00 S ATOM 0 H CYS A 32 2.314 3.525 1.930 1.00 0.00 H new ATOM 0 HA CYS A 32 2.917 5.222 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.170 4.569 1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.442 6.137 0.853 1.00 0.00 H new ATOM 0 HG CYS A 32 4.706 5.791 3.643 1.00 0.00 H new ATOM 491 N LEU A 33 3.792 3.363 -1.681 1.00 0.00 N ATOM 492 CA LEU A 33 4.058 2.253 -2.600 1.00 0.00 C ATOM 493 C LEU A 33 5.126 1.273 -2.124 1.00 0.00 C ATOM 494 O LEU A 33 5.822 1.514 -1.155 1.00 0.00 O ATOM 495 CB LEU A 33 4.429 2.837 -3.954 1.00 0.00 C ATOM 496 CG LEU A 33 3.296 2.849 -4.979 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.941 3.054 -4.310 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.544 3.946 -5.986 1.00 0.00 C ATOM 0 H LEU A 33 3.657 4.253 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 33 3.147 1.657 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.780 3.859 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.264 2.268 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 33 3.276 1.882 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.158 3.057 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.758 2.245 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.937 4.007 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.737 3.957 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.582 4.908 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.492 3.767 -6.493 1.00 0.00 H new ATOM 510 N LEU A 34 5.258 0.166 -2.830 1.00 0.00 N ATOM 511 CA LEU A 34 6.157 -0.901 -2.406 1.00 0.00 C ATOM 512 C LEU A 34 7.563 -0.386 -2.196 1.00 0.00 C ATOM 513 O LEU A 34 8.178 0.157 -3.106 1.00 0.00 O ATOM 514 CB LEU A 34 6.152 -2.031 -3.423 1.00 0.00 C ATOM 515 CG LEU A 34 4.795 -2.685 -3.624 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.917 -3.839 -4.584 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.230 -3.153 -2.299 1.00 0.00 C ATOM 0 H LEU A 34 4.757 -0.022 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 34 5.796 -1.284 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.501 -1.644 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.866 -2.792 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 34 4.110 -1.950 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.940 -4.302 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.286 -3.477 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.613 -4.575 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.258 -3.619 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.909 -3.878 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.116 -2.300 -1.630 1.00 0.00 H new ATOM 529 N GLY A 35 8.051 -0.541 -0.978 1.00 0.00 N ATOM 530 CA GLY A 35 9.370 -0.056 -0.640 1.00 0.00 C ATOM 531 C GLY A 35 9.424 1.456 -0.519 1.00 0.00 C ATOM 532 O GLY A 35 10.477 2.060 -0.681 1.00 0.00 O ATOM 0 H GLY A 35 7.554 -0.997 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.687 -0.503 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.079 -0.381 -1.402 1.00 0.00 H new ATOM 536 N TYR A 36 8.279 2.064 -0.266 1.00 0.00 N ATOM 537 CA TYR A 36 8.188 3.503 -0.067 1.00 0.00 C ATOM 538 C TYR A 36 7.956 3.843 1.405 1.00 0.00 C ATOM 539 O TYR A 36 7.837 2.955 2.253 1.00 0.00 O ATOM 540 CB TYR A 36 7.054 4.087 -0.908 1.00 0.00 C ATOM 541 CG TYR A 36 7.348 4.195 -2.394 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.902 3.138 -3.104 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.067 5.363 -3.081 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.163 3.245 -4.455 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.325 5.481 -4.429 1.00 0.00 C ATOM 546 CZ TYR A 36 7.873 4.418 -5.116 1.00 0.00 C ATOM 547 OH TYR A 36 8.129 4.524 -6.466 1.00 0.00 O ATOM 0 H TYR A 36 7.386 1.577 -0.192 1.00 0.00 H new ATOM 0 HA TYR A 36 9.136 3.941 -0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.166 3.470 -0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.813 5.080 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.133 2.216 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.637 6.199 -2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.593 2.412 -4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.099 6.402 -4.946 1.00 0.00 H new ATOM 0 HH TYR A 36 7.866 5.414 -6.780 1.00 0.00 H new ATOM 557 N LYS A 37 7.890 5.139 1.696 1.00 0.00 N ATOM 558 CA LYS A 37 7.714 5.632 3.052 1.00 0.00 C ATOM 559 C LYS A 37 7.095 7.017 3.025 1.00 0.00 C ATOM 560 O LYS A 37 6.969 7.627 1.966 1.00 0.00 O ATOM 561 CB LYS A 37 9.065 5.729 3.750 1.00 0.00 C ATOM 562 CG LYS A 37 10.058 6.589 2.984 1.00 0.00 C ATOM 563 CD LYS A 37 11.361 6.774 3.741 1.00 0.00 C ATOM 564 CE LYS A 37 12.248 7.794 3.048 1.00 0.00 C ATOM 565 NZ LYS A 37 13.524 8.020 3.774 1.00 0.00 N ATOM 0 H LYS A 37 7.958 5.876 0.994 1.00 0.00 H new ATOM 0 HA LYS A 37 7.063 4.940 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.925 6.144 4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.478 4.728 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.264 6.130 2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.614 7.564 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.152 7.100 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.884 5.820 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.465 7.455 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.711 8.738 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.094 8.723 3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.321 8.369 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.051 7.126 3.836 1.00 0.00 H new ATOM 579 N LYS A 38 6.721 7.506 4.190 1.00 0.00 N ATOM 580 CA LYS A 38 6.277 8.871 4.337 1.00 0.00 C ATOM 581 C LYS A 38 7.470 9.805 4.476 1.00 0.00 C ATOM 582 O LYS A 38 8.237 9.706 5.435 1.00 0.00 O ATOM 583 CB LYS A 38 5.366 8.983 5.542 1.00 0.00 C ATOM 584 CG LYS A 38 4.107 8.170 5.378 1.00 0.00 C ATOM 585 CD LYS A 38 2.931 8.935 5.907 1.00 0.00 C ATOM 586 CE LYS A 38 2.541 8.505 7.310 1.00 0.00 C ATOM 587 NZ LYS A 38 2.049 7.103 7.350 1.00 0.00 N ATOM 0 H LYS A 38 6.717 6.968 5.057 1.00 0.00 H new ATOM 0 HA LYS A 38 5.721 9.164 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.900 8.649 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.104 10.029 5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.953 7.931 4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.204 7.223 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.165 10.000 5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.081 8.797 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.401 8.606 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.767 9.171 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.421 6.979 8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.524 6.894 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.857 6.454 7.432 1.00 0.00 H new ATOM 601 N GLY A 39 7.631 10.705 3.514 1.00 0.00 N ATOM 602 CA GLY A 39 8.797 11.569 3.503 1.00 0.00 C ATOM 603 C GLY A 39 8.460 13.046 3.481 1.00 0.00 C ATOM 604 O GLY A 39 9.111 13.845 4.157 1.00 0.00 O ATOM 0 H GLY A 39 6.978 10.852 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.404 11.357 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.406 11.331 2.631 1.00 0.00 H new ATOM 608 N GLU A 40 7.441 13.415 2.716 1.00 0.00 N ATOM 609 CA GLU A 40 7.117 14.824 2.511 1.00 0.00 C ATOM 610 C GLU A 40 6.219 15.343 3.639 1.00 0.00 C ATOM 611 O GLU A 40 5.883 16.525 3.686 1.00 0.00 O ATOM 612 CB GLU A 40 6.413 15.026 1.158 1.00 0.00 C ATOM 613 CG GLU A 40 6.820 14.032 0.070 1.00 0.00 C ATOM 614 CD GLU A 40 8.232 14.262 -0.440 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.187 14.168 0.358 1.00 0.00 O ATOM 616 OE2 GLU A 40 8.396 14.526 -1.650 1.00 0.00 O ATOM 0 H GLU A 40 6.826 12.763 2.229 1.00 0.00 H new ATOM 0 HA GLU A 40 8.051 15.386 2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.336 14.956 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.620 16.036 0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.741 13.018 0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.121 14.106 -0.763 1.00 0.00 H new ATOM 623 N GLY A 41 5.846 14.450 4.552 1.00 0.00 N ATOM 624 CA GLY A 41 4.906 14.800 5.604 1.00 0.00 C ATOM 625 C GLY A 41 3.481 14.547 5.165 1.00 0.00 C ATOM 626 O GLY A 41 2.900 15.357 4.444 1.00 0.00 O ATOM 0 H GLY A 41 6.179 13.486 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.123 14.217 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.027 15.850 5.870 1.00 0.00 H new ATOM 630 N ASN A 42 2.914 13.430 5.622 1.00 0.00 N ATOM 631 CA ASN A 42 1.662 12.913 5.067 1.00 0.00 C ATOM 632 C ASN A 42 1.781 12.808 3.561 1.00 0.00 C ATOM 633 O ASN A 42 1.049 13.447 2.811 1.00 0.00 O ATOM 634 CB ASN A 42 0.463 13.778 5.449 1.00 0.00 C ATOM 635 CG ASN A 42 -0.094 13.411 6.809 1.00 0.00 C ATOM 636 OD1 ASN A 42 -0.003 12.262 7.239 1.00 0.00 O ATOM 637 ND2 ASN A 42 -0.666 14.379 7.503 1.00 0.00 N ATOM 0 H ASN A 42 3.303 12.865 6.377 1.00 0.00 H new ATOM 0 HA ASN A 42 1.489 11.924 5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.759 14.827 5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.318 13.668 4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.050 14.185 8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.723 15.320 7.114 1.00 0.00 H new ATOM 644 N THR A 43 2.750 12.019 3.132 1.00 0.00 N ATOM 645 CA THR A 43 3.060 11.857 1.724 1.00 0.00 C ATOM 646 C THR A 43 3.913 10.620 1.558 1.00 0.00 C ATOM 647 O THR A 43 4.276 9.991 2.551 1.00 0.00 O ATOM 648 CB THR A 43 3.824 13.064 1.165 1.00 0.00 C ATOM 649 OG1 THR A 43 3.721 14.182 2.053 1.00 0.00 O ATOM 650 CG2 THR A 43 3.283 13.459 -0.192 1.00 0.00 C ATOM 0 H THR A 43 3.346 11.471 3.753 1.00 0.00 H new ATOM 0 HA THR A 43 2.122 11.768 1.176 1.00 0.00 H new ATOM 0 HB THR A 43 4.871 12.776 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.447 14.976 1.549 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.839 14.317 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.391 12.624 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.229 13.721 -0.101 1.00 0.00 H new ATOM 658 N CYS A 44 4.252 10.272 0.332 1.00 0.00 N ATOM 659 CA CYS A 44 4.994 9.055 0.092 1.00 0.00 C ATOM 660 C CYS A 44 6.155 9.297 -0.858 1.00 0.00 C ATOM 661 O CYS A 44 6.072 10.128 -1.758 1.00 0.00 O ATOM 662 CB CYS A 44 4.050 7.994 -0.451 1.00 0.00 C ATOM 663 SG CYS A 44 2.607 7.735 0.605 1.00 0.00 S ATOM 0 H CYS A 44 4.027 10.810 -0.505 1.00 0.00 H new ATOM 0 HA CYS A 44 5.420 8.706 1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.718 8.285 -1.447 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.590 7.053 -0.557 1.00 0.00 H new ATOM 0 HG CYS A 44 2.944 7.008 1.629 1.00 0.00 H new ATOM 669 N VAL A 45 7.244 8.584 -0.613 1.00 0.00 N ATOM 670 CA VAL A 45 8.458 8.675 -1.405 1.00 0.00 C ATOM 671 C VAL A 45 9.190 7.349 -1.352 1.00 0.00 C ATOM 672 O VAL A 45 8.908 6.520 -0.487 1.00 0.00 O ATOM 673 CB VAL A 45 9.410 9.768 -0.885 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.860 11.152 -1.175 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.672 9.594 0.603 1.00 0.00 C ATOM 0 H VAL A 45 7.308 7.915 0.155 1.00 0.00 H new ATOM 0 HA VAL A 45 8.164 8.928 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 45 10.358 9.665 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.552 11.905 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.739 11.277 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.893 11.269 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.347 10.377 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.731 9.660 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.126 8.619 0.781 1.00 0.00 H new ATOM 685 N GLU A 46 10.122 7.157 -2.266 1.00 0.00 N ATOM 686 CA GLU A 46 10.893 5.927 -2.330 1.00 0.00 C ATOM 687 C GLU A 46 11.752 5.747 -1.080 1.00 0.00 C ATOM 688 O GLU A 46 12.636 6.556 -0.796 1.00 0.00 O ATOM 689 CB GLU A 46 11.764 5.926 -3.584 1.00 0.00 C ATOM 690 CG GLU A 46 11.419 4.809 -4.552 1.00 0.00 C ATOM 691 CD GLU A 46 12.222 4.869 -5.834 1.00 0.00 C ATOM 692 OE1 GLU A 46 12.121 5.882 -6.555 1.00 0.00 O ATOM 693 OE2 GLU A 46 12.956 3.907 -6.131 1.00 0.00 O ATOM 0 H GLU A 46 10.366 7.843 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 46 10.199 5.088 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.658 6.884 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.810 5.834 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.591 3.849 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.357 4.859 -4.792 1.00 0.00 H new ATOM 700 N ASN A 47 11.468 4.688 -0.337 1.00 0.00 N ATOM 701 CA ASN A 47 12.224 4.348 0.862 1.00 0.00 C ATOM 702 C ASN A 47 13.416 3.500 0.475 1.00 0.00 C ATOM 703 O ASN A 47 13.270 2.365 0.036 1.00 0.00 O ATOM 704 CB ASN A 47 11.337 3.586 1.852 1.00 0.00 C ATOM 705 CG ASN A 47 12.020 3.258 3.160 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.228 3.414 3.317 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.244 2.759 4.101 1.00 0.00 N ATOM 0 H ASN A 47 10.709 4.040 -0.547 1.00 0.00 H new ATOM 0 HA ASN A 47 12.568 5.264 1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.446 4.179 2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.002 2.659 1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.643 2.486 4.999 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.245 2.645 3.931 1.00 0.00 H new ATOM 714 N ASN A 48 14.598 4.046 0.662 1.00 0.00 N ATOM 715 CA ASN A 48 15.803 3.411 0.210 1.00 0.00 C ATOM 716 C ASN A 48 16.235 2.287 1.154 1.00 0.00 C ATOM 717 O ASN A 48 17.295 1.692 0.982 1.00 0.00 O ATOM 718 CB ASN A 48 16.898 4.455 0.091 1.00 0.00 C ATOM 719 CG ASN A 48 16.491 5.682 -0.723 1.00 0.00 C ATOM 720 OD1 ASN A 48 15.621 5.499 -1.705 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 16.966 6.789 -0.469 1.00 0.00 N flip ATOM 0 H ASN A 48 14.744 4.940 1.131 1.00 0.00 H new ATOM 0 HA ASN A 48 15.616 2.959 -0.764 1.00 0.00 H new ATOM 0 HB2 ASN A 48 17.193 4.775 1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.774 3.999 -0.370 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.634 6.894 0.295 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.692 7.601 -1.022 1.00 0.00 H new ATOM 728 N ASN A 49 15.401 1.994 2.143 1.00 0.00 N ATOM 729 CA ASN A 49 15.635 0.897 3.071 1.00 0.00 C ATOM 730 C ASN A 49 14.315 0.494 3.711 1.00 0.00 C ATOM 731 O ASN A 49 14.078 0.739 4.894 1.00 0.00 O ATOM 732 CB ASN A 49 16.629 1.297 4.154 1.00 0.00 C ATOM 733 CG ASN A 49 17.076 0.103 4.979 1.00 0.00 C ATOM 734 OD1 ASN A 49 17.158 -1.019 4.473 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.352 0.325 6.254 1.00 0.00 N ATOM 0 H ASN A 49 14.541 2.512 2.324 1.00 0.00 H new ATOM 0 HA ASN A 49 16.055 0.057 2.518 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.498 1.767 3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.174 2.041 4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.644 -0.446 6.854 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.273 1.267 6.636 1.00 0.00 H new ATOM 742 N PRO A 50 13.421 -0.104 2.920 1.00 0.00 N ATOM 743 CA PRO A 50 12.087 -0.448 3.379 1.00 0.00 C ATOM 744 C PRO A 50 12.077 -1.641 4.323 1.00 0.00 C ATOM 745 O PRO A 50 12.742 -2.652 4.087 1.00 0.00 O ATOM 746 CB PRO A 50 11.318 -0.773 2.101 1.00 0.00 C ATOM 747 CG PRO A 50 12.269 -0.606 0.961 1.00 0.00 C ATOM 748 CD PRO A 50 13.643 -0.494 1.527 1.00 0.00 C ATOM 0 HA PRO A 50 11.648 0.369 3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.930 -1.791 2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.461 -0.109 1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.204 -1.456 0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.020 0.284 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.181 -1.439 1.458 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.235 0.250 0.994 1.00 0.00 H new ATOM 756 N THR A 51 11.326 -1.504 5.401 1.00 0.00 N ATOM 757 CA THR A 51 11.178 -2.558 6.378 1.00 0.00 C ATOM 758 C THR A 51 9.704 -2.914 6.503 1.00 0.00 C ATOM 759 O THR A 51 8.837 -2.061 6.308 1.00 0.00 O ATOM 760 CB THR A 51 11.745 -2.139 7.754 1.00 0.00 C ATOM 761 OG1 THR A 51 11.772 -3.265 8.638 1.00 0.00 O ATOM 762 CG2 THR A 51 10.917 -1.025 8.380 1.00 0.00 C ATOM 0 H THR A 51 10.803 -0.656 5.620 1.00 0.00 H new ATOM 0 HA THR A 51 11.744 -3.427 6.043 1.00 0.00 H new ATOM 0 HB THR A 51 12.758 -1.769 7.597 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.134 -2.991 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.343 -0.754 9.346 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.923 -0.155 7.724 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.892 -1.368 8.519 1.00 0.00 H new ATOM 770 N CYS A 52 9.419 -4.164 6.813 1.00 0.00 N ATOM 771 CA CYS A 52 8.063 -4.602 7.004 1.00 0.00 C ATOM 772 C CYS A 52 7.584 -4.263 8.416 1.00 0.00 C ATOM 773 O CYS A 52 8.375 -3.805 9.240 1.00 0.00 O ATOM 774 CB CYS A 52 8.014 -6.090 6.720 1.00 0.00 C ATOM 775 SG CYS A 52 8.137 -6.459 4.962 1.00 0.00 S ATOM 0 H CYS A 52 10.120 -4.895 6.937 1.00 0.00 H new ATOM 0 HA CYS A 52 7.387 -4.087 6.322 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.828 -6.585 7.250 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.083 -6.501 7.110 1.00 0.00 H new ATOM 0 HG CYS A 52 7.492 -5.557 4.283 1.00 0.00 H new ATOM 781 N ASP A 53 6.281 -4.457 8.658 1.00 0.00 N ATOM 782 CA ASP A 53 5.582 -3.961 9.861 1.00 0.00 C ATOM 783 C ASP A 53 5.273 -2.482 9.714 1.00 0.00 C ATOM 784 O ASP A 53 4.147 -2.040 9.943 1.00 0.00 O ATOM 785 CB ASP A 53 6.363 -4.184 11.163 1.00 0.00 C ATOM 786 CG ASP A 53 5.901 -5.413 11.916 1.00 0.00 C ATOM 787 OD1 ASP A 53 4.696 -5.495 12.239 1.00 0.00 O ATOM 788 OD2 ASP A 53 6.734 -6.295 12.204 1.00 0.00 O ATOM 0 H ASP A 53 5.672 -4.968 8.019 1.00 0.00 H new ATOM 0 HA ASP A 53 4.663 -4.543 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.424 -4.281 10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.254 -3.308 11.803 1.00 0.00 H new ATOM 793 N ILE A 54 6.274 -1.733 9.290 1.00 0.00 N ATOM 794 CA ILE A 54 6.149 -0.298 9.124 1.00 0.00 C ATOM 795 C ILE A 54 5.738 -0.003 7.711 1.00 0.00 C ATOM 796 O ILE A 54 6.531 -0.174 6.781 1.00 0.00 O ATOM 797 CB ILE A 54 7.468 0.421 9.451 1.00 0.00 C ATOM 798 CG1 ILE A 54 7.929 0.029 10.861 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.291 1.931 9.331 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.229 0.672 11.286 1.00 0.00 C ATOM 0 H ILE A 54 7.195 -2.102 9.052 1.00 0.00 H new ATOM 0 HA ILE A 54 5.392 0.069 9.817 1.00 0.00 H new ATOM 0 HB ILE A 54 8.234 0.117 8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.151 0.301 11.575 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.040 -1.054 10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.233 2.427 9.565 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.991 2.183 8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.522 2.264 10.028 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.485 0.344 12.293 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.022 0.380 10.597 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.119 1.756 11.275 1.00 0.00 H new ATOM 812 N ASN A 55 4.472 0.385 7.549 1.00 0.00 N ATOM 813 CA ASN A 55 3.895 0.589 6.228 1.00 0.00 C ATOM 814 C ASN A 55 3.817 -0.752 5.513 1.00 0.00 C ATOM 815 O ASN A 55 3.549 -0.832 4.321 1.00 0.00 O ATOM 816 CB ASN A 55 4.762 1.581 5.452 1.00 0.00 C ATOM 817 CG ASN A 55 4.150 2.040 4.143 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.935 2.184 4.012 1.00 0.00 O ATOM 819 ND2 ASN A 55 5.002 2.282 3.162 1.00 0.00 N ATOM 0 H ASN A 55 3.829 0.563 8.321 1.00 0.00 H new ATOM 0 HA ASN A 55 2.888 1.000 6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.950 2.452 6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.729 1.121 5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.659 2.601 2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.002 2.150 3.311 1.00 0.00 H new ATOM 826 N ASN A 56 4.057 -1.810 6.289 1.00 0.00 N ATOM 827 CA ASN A 56 4.171 -3.168 5.777 1.00 0.00 C ATOM 828 C ASN A 56 5.287 -3.234 4.724 1.00 0.00 C ATOM 829 O ASN A 56 5.308 -4.124 3.878 1.00 0.00 O ATOM 830 CB ASN A 56 2.836 -3.637 5.178 1.00 0.00 C ATOM 831 CG ASN A 56 2.627 -5.130 5.297 1.00 0.00 C ATOM 832 OD1 ASN A 56 2.938 -5.728 6.327 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.096 -5.743 4.250 1.00 0.00 N ATOM 0 H ASN A 56 4.178 -1.743 7.300 1.00 0.00 H new ATOM 0 HA ASN A 56 4.422 -3.834 6.602 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.018 -3.120 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.796 -3.353 4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.930 -6.749 4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.853 -5.209 3.416 1.00 0.00 H new ATOM 840 N GLY A 57 6.220 -2.282 4.799 1.00 0.00 N ATOM 841 CA GLY A 57 7.269 -2.166 3.802 1.00 0.00 C ATOM 842 C GLY A 57 6.748 -1.589 2.502 1.00 0.00 C ATOM 843 O GLY A 57 7.386 -1.700 1.460 1.00 0.00 O ATOM 0 H GLY A 57 6.264 -1.584 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.068 -1.532 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.703 -3.148 3.616 1.00 0.00 H new ATOM 847 N GLY A 58 5.590 -0.959 2.572 1.00 0.00 N ATOM 848 CA GLY A 58 4.962 -0.414 1.395 1.00 0.00 C ATOM 849 C GLY A 58 3.885 -1.335 0.876 1.00 0.00 C ATOM 850 O GLY A 58 3.404 -1.175 -0.235 1.00 0.00 O ATOM 0 H GLY A 58 5.068 -0.815 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.531 0.560 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.712 -0.254 0.620 1.00 0.00 H new ATOM 854 N CYS A 59 3.500 -2.289 1.706 1.00 0.00 N ATOM 855 CA CYS A 59 2.555 -3.323 1.318 1.00 0.00 C ATOM 856 C CYS A 59 1.248 -3.195 2.100 1.00 0.00 C ATOM 857 O CYS A 59 1.098 -2.323 2.956 1.00 0.00 O ATOM 858 CB CYS A 59 3.172 -4.710 1.531 1.00 0.00 C ATOM 859 SG CYS A 59 4.679 -5.008 0.580 1.00 0.00 S ATOM 0 H CYS A 59 3.833 -2.369 2.667 1.00 0.00 H new ATOM 0 HA CYS A 59 2.327 -3.196 0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.394 -4.837 2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.434 -5.467 1.267 1.00 0.00 H new ATOM 0 HG CYS A 59 5.075 -6.232 0.767 1.00 0.00 H new ATOM 865 N ASP A 60 0.309 -4.077 1.795 1.00 0.00 N ATOM 866 CA ASP A 60 -0.997 -4.103 2.454 1.00 0.00 C ATOM 867 C ASP A 60 -0.978 -5.163 3.540 1.00 0.00 C ATOM 868 O ASP A 60 -0.374 -6.206 3.365 1.00 0.00 O ATOM 869 CB ASP A 60 -2.076 -4.468 1.419 1.00 0.00 C ATOM 870 CG ASP A 60 -3.478 -4.605 2.006 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.727 -5.559 2.752 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.342 -3.750 1.715 1.00 0.00 O ATOM 0 H ASP A 60 0.427 -4.798 1.083 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.214 -3.127 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.092 -3.704 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.801 -5.407 0.938 1.00 0.00 H new ATOM 877 N PRO A 61 -1.611 -4.881 4.695 1.00 0.00 N ATOM 878 CA PRO A 61 -1.639 -5.787 5.844 1.00 0.00 C ATOM 879 C PRO A 61 -2.116 -7.203 5.497 1.00 0.00 C ATOM 880 O PRO A 61 -1.811 -8.158 6.213 1.00 0.00 O ATOM 881 CB PRO A 61 -2.629 -5.126 6.812 1.00 0.00 C ATOM 882 CG PRO A 61 -3.289 -4.037 6.055 1.00 0.00 C ATOM 883 CD PRO A 61 -2.339 -3.643 4.980 1.00 0.00 C ATOM 0 HA PRO A 61 -0.637 -5.923 6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.362 -5.848 7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.112 -4.733 7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.236 -4.375 5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.513 -3.191 6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.862 -3.273 4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.668 -2.850 5.309 1.00 0.00 H new ATOM 891 N THR A 62 -2.886 -7.334 4.422 1.00 0.00 N ATOM 892 CA THR A 62 -3.304 -8.644 3.939 1.00 0.00 C ATOM 893 C THR A 62 -2.234 -9.222 3.021 1.00 0.00 C ATOM 894 O THR A 62 -2.073 -10.439 2.915 1.00 0.00 O ATOM 895 CB THR A 62 -4.656 -8.593 3.188 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.543 -7.825 1.984 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.737 -7.988 4.070 1.00 0.00 C ATOM 0 H THR A 62 -3.233 -6.550 3.870 1.00 0.00 H new ATOM 0 HA THR A 62 -3.437 -9.282 4.813 1.00 0.00 H new ATOM 0 HB THR A 62 -4.931 -9.616 2.933 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.910 -7.090 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.680 -7.961 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.855 -8.594 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.452 -6.974 4.352 1.00 0.00 H new ATOM 905 N ALA A 63 -1.497 -8.330 2.366 1.00 0.00 N ATOM 906 CA ALA A 63 -0.386 -8.712 1.530 1.00 0.00 C ATOM 907 C ALA A 63 0.806 -9.128 2.385 1.00 0.00 C ATOM 908 O ALA A 63 1.499 -8.284 2.955 1.00 0.00 O ATOM 909 CB ALA A 63 -0.014 -7.565 0.601 1.00 0.00 C ATOM 0 H ALA A 63 -1.661 -7.324 2.406 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.679 -9.568 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.826 -7.863 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.868 -7.316 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.266 -6.694 1.193 1.00 0.00 H new ATOM 915 N SER A 64 1.029 -10.435 2.474 1.00 0.00 N ATOM 916 CA SER A 64 2.143 -10.989 3.239 1.00 0.00 C ATOM 917 C SER A 64 3.463 -10.329 2.833 1.00 0.00 C ATOM 918 O SER A 64 3.993 -10.584 1.747 1.00 0.00 O ATOM 919 CB SER A 64 2.215 -12.505 3.028 1.00 0.00 C ATOM 920 OG SER A 64 3.242 -13.091 3.807 1.00 0.00 O ATOM 0 H SER A 64 0.446 -11.138 2.020 1.00 0.00 H new ATOM 0 HA SER A 64 1.976 -10.785 4.297 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.257 -12.955 3.289 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.390 -12.718 1.974 1.00 0.00 H new ATOM 0 HG SER A 64 3.260 -14.058 3.650 1.00 0.00 H new ATOM 926 N CYS A 65 3.957 -9.454 3.701 1.00 0.00 N ATOM 927 CA CYS A 65 5.176 -8.710 3.445 1.00 0.00 C ATOM 928 C CYS A 65 6.420 -9.485 3.858 1.00 0.00 C ATOM 929 O CYS A 65 6.395 -10.274 4.804 1.00 0.00 O ATOM 930 CB CYS A 65 5.148 -7.392 4.210 1.00 0.00 C ATOM 931 SG CYS A 65 5.023 -7.604 6.002 1.00 0.00 S ATOM 0 H CYS A 65 3.522 -9.243 4.599 1.00 0.00 H new ATOM 0 HA CYS A 65 5.223 -8.532 2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.052 -6.828 3.981 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.304 -6.796 3.862 1.00 0.00 H new ATOM 0 HG CYS A 65 4.217 -6.708 6.490 1.00 0.00 H new ATOM 937 N GLN A 66 7.498 -9.256 3.126 1.00 0.00 N ATOM 938 CA GLN A 66 8.823 -9.710 3.521 1.00 0.00 C ATOM 939 C GLN A 66 9.824 -8.597 3.250 1.00 0.00 C ATOM 940 O GLN A 66 9.929 -8.116 2.120 1.00 0.00 O ATOM 941 CB GLN A 66 9.231 -10.978 2.763 1.00 0.00 C ATOM 942 CG GLN A 66 8.251 -12.125 2.921 1.00 0.00 C ATOM 943 CD GLN A 66 8.927 -13.486 2.961 1.00 0.00 C ATOM 944 OE1 GLN A 66 8.436 -14.416 3.604 1.00 0.00 O ATOM 945 NE2 GLN A 66 10.051 -13.619 2.274 1.00 0.00 N ATOM 0 H GLN A 66 7.480 -8.750 2.241 1.00 0.00 H new ATOM 0 HA GLN A 66 8.808 -9.953 4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.331 -10.741 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.212 -11.299 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.679 -11.983 3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.540 -12.103 2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.427 -12.827 1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.540 -14.514 2.265 1.00 0.00 H new ATOM 954 N ASN A 67 10.527 -8.161 4.290 1.00 0.00 N ATOM 955 CA ASN A 67 11.454 -7.069 4.172 1.00 0.00 C ATOM 956 C ASN A 67 12.749 -7.529 3.513 1.00 0.00 C ATOM 957 O ASN A 67 13.337 -8.539 3.906 1.00 0.00 O ATOM 958 CB ASN A 67 11.717 -6.449 5.542 1.00 0.00 C ATOM 959 CG ASN A 67 12.293 -7.406 6.570 1.00 0.00 C ATOM 960 OD1 ASN A 67 11.969 -8.593 6.595 1.00 0.00 O ATOM 961 ND2 ASN A 67 13.165 -6.891 7.419 1.00 0.00 N ATOM 0 H ASN A 67 10.463 -8.559 5.227 1.00 0.00 H new ATOM 0 HA ASN A 67 11.014 -6.304 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.403 -5.611 5.421 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.782 -6.042 5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.597 -7.483 8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.407 -5.902 7.365 1.00 0.00 H new ATOM 968 N ALA A 68 13.181 -6.789 2.506 1.00 0.00 N ATOM 969 CA ALA A 68 14.328 -7.181 1.710 1.00 0.00 C ATOM 970 C ALA A 68 15.115 -5.968 1.250 1.00 0.00 C ATOM 971 O ALA A 68 14.639 -4.836 1.332 1.00 0.00 O ATOM 972 CB ALA A 68 13.882 -7.988 0.501 1.00 0.00 C ATOM 0 H ALA A 68 12.751 -5.909 2.221 1.00 0.00 H new ATOM 0 HA ALA A 68 14.973 -7.796 2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.754 -8.275 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.358 -8.884 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.213 -7.384 -0.113 1.00 0.00 H new ATOM 978 N GLU A 69 16.326 -6.218 0.789 1.00 0.00 N ATOM 979 CA GLU A 69 17.154 -5.193 0.200 1.00 0.00 C ATOM 980 C GLU A 69 17.398 -5.524 -1.270 1.00 0.00 C ATOM 981 O GLU A 69 17.600 -6.683 -1.631 1.00 0.00 O ATOM 982 CB GLU A 69 18.480 -5.096 0.948 1.00 0.00 C ATOM 983 CG GLU A 69 19.437 -4.068 0.371 1.00 0.00 C ATOM 984 CD GLU A 69 20.810 -4.129 1.003 1.00 0.00 C ATOM 985 OE1 GLU A 69 20.938 -3.770 2.192 1.00 0.00 O ATOM 986 OE2 GLU A 69 21.768 -4.537 0.313 1.00 0.00 O ATOM 0 H GLU A 69 16.760 -7.141 0.814 1.00 0.00 H new ATOM 0 HA GLU A 69 16.647 -4.231 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.281 -4.848 1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.963 -6.073 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.529 -4.226 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.021 -3.071 0.512 1.00 0.00 H new ATOM 993 N SER A 70 17.368 -4.499 -2.098 1.00 0.00 N ATOM 994 CA SER A 70 17.563 -4.626 -3.531 1.00 0.00 C ATOM 995 C SER A 70 18.078 -3.302 -4.075 1.00 0.00 C ATOM 996 O SER A 70 18.166 -2.330 -3.321 1.00 0.00 O ATOM 997 CB SER A 70 16.240 -5.003 -4.210 1.00 0.00 C ATOM 998 OG SER A 70 15.914 -6.364 -3.986 1.00 0.00 O ATOM 0 H SER A 70 17.205 -3.540 -1.791 1.00 0.00 H new ATOM 0 HA SER A 70 18.289 -5.412 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.440 -4.368 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.313 -4.816 -5.281 1.00 0.00 H new ATOM 0 HG SER A 70 16.502 -6.731 -3.293 1.00 0.00 H new ATOM 1004 N THR A 71 18.422 -3.247 -5.354 1.00 0.00 N ATOM 1005 CA THR A 71 18.839 -1.992 -5.957 1.00 0.00 C ATOM 1006 C THR A 71 17.666 -1.022 -5.969 1.00 0.00 C ATOM 1007 O THR A 71 17.743 0.086 -5.429 1.00 0.00 O ATOM 1008 CB THR A 71 19.379 -2.202 -7.386 1.00 0.00 C ATOM 1009 OG1 THR A 71 18.479 -3.028 -8.137 1.00 0.00 O ATOM 1010 CG2 THR A 71 20.757 -2.845 -7.352 1.00 0.00 C ATOM 0 H THR A 71 18.421 -4.047 -5.987 1.00 0.00 H new ATOM 0 HA THR A 71 19.651 -1.576 -5.360 1.00 0.00 H new ATOM 0 HB THR A 71 19.460 -1.227 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.830 -3.154 -9.043 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.119 -2.984 -8.371 1.00 0.00 H new ATOM 0 HG22 THR A 71 21.446 -2.200 -6.807 1.00 0.00 H new ATOM 0 HG23 THR A 71 20.695 -3.813 -6.854 1.00 0.00 H new ATOM 1018 N GLU A 72 16.571 -1.471 -6.562 1.00 0.00 N ATOM 1019 CA GLU A 72 15.315 -0.740 -6.526 1.00 0.00 C ATOM 1020 C GLU A 72 14.757 -0.757 -5.117 1.00 0.00 C ATOM 1021 O GLU A 72 14.706 -1.811 -4.485 1.00 0.00 O ATOM 1022 CB GLU A 72 14.296 -1.396 -7.445 1.00 0.00 C ATOM 1023 CG GLU A 72 14.632 -1.305 -8.914 1.00 0.00 C ATOM 1024 CD GLU A 72 14.606 0.113 -9.441 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.554 0.778 -9.326 1.00 0.00 O ATOM 1026 OE2 GLU A 72 15.631 0.561 -9.995 1.00 0.00 O ATOM 0 H GLU A 72 16.528 -2.349 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 72 15.503 0.283 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.201 -2.447 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.323 -0.934 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.621 -1.731 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.924 -1.910 -9.481 1.00 0.00 H new ATOM 1033 N ASN A 73 14.335 0.396 -4.622 1.00 0.00 N ATOM 1034 CA ASN A 73 13.684 0.460 -3.327 1.00 0.00 C ATOM 1035 C ASN A 73 12.332 -0.229 -3.416 1.00 0.00 C ATOM 1036 O ASN A 73 11.880 -0.862 -2.464 1.00 0.00 O ATOM 1037 CB ASN A 73 13.453 1.905 -2.882 1.00 0.00 C ATOM 1038 CG ASN A 73 14.609 2.852 -3.171 1.00 0.00 C ATOM 1039 OD1 ASN A 73 14.388 3.971 -3.620 1.00 0.00 O ATOM 1040 ND2 ASN A 73 15.836 2.465 -2.854 1.00 0.00 N ATOM 0 H ASN A 73 14.432 1.294 -5.096 1.00 0.00 H new ATOM 0 HA ASN A 73 14.334 -0.031 -2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.558 2.284 -3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.253 1.913 -1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.621 3.103 -2.982 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.995 1.529 -2.482 1.00 0.00 H new ATOM 1047 N SER A 74 11.704 -0.118 -4.581 1.00 0.00 N ATOM 1048 CA SER A 74 10.346 -0.596 -4.765 1.00 0.00 C ATOM 1049 C SER A 74 10.316 -2.095 -5.040 1.00 0.00 C ATOM 1050 O SER A 74 9.287 -2.749 -4.862 1.00 0.00 O ATOM 1051 CB SER A 74 9.672 0.169 -5.906 1.00 0.00 C ATOM 1052 OG SER A 74 8.263 0.022 -5.859 1.00 0.00 O ATOM 0 H SER A 74 12.119 0.301 -5.413 1.00 0.00 H new ATOM 0 HA SER A 74 9.796 -0.418 -3.841 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.932 1.226 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.047 -0.195 -6.863 1.00 0.00 H new ATOM 0 HG SER A 74 7.963 0.037 -4.926 1.00 0.00 H new ATOM 1058 N LYS A 75 11.446 -2.644 -5.459 1.00 0.00 N ATOM 1059 CA LYS A 75 11.519 -4.063 -5.772 1.00 0.00 C ATOM 1060 C LYS A 75 12.154 -4.838 -4.627 1.00 0.00 C ATOM 1061 O LYS A 75 12.703 -5.921 -4.824 1.00 0.00 O ATOM 1062 CB LYS A 75 12.305 -4.292 -7.057 1.00 0.00 C ATOM 1063 CG LYS A 75 11.759 -3.525 -8.246 1.00 0.00 C ATOM 1064 CD LYS A 75 12.267 -4.102 -9.550 1.00 0.00 C ATOM 1065 CE LYS A 75 11.601 -3.450 -10.751 1.00 0.00 C ATOM 1066 NZ LYS A 75 12.053 -4.056 -12.030 1.00 0.00 N ATOM 0 H LYS A 75 12.319 -2.133 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 75 10.501 -4.427 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.343 -4.003 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.303 -5.357 -7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.669 -3.555 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.050 -2.477 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.346 -3.964 -9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.081 -5.176 -9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.519 -3.549 -10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.824 -2.383 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.576 -3.584 -12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.082 -3.939 -12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.817 -5.069 -12.037 1.00 0.00 H new ATOM 1080 N LYS A 76 12.085 -4.276 -3.432 1.00 0.00 N ATOM 1081 CA LYS A 76 12.629 -4.940 -2.257 1.00 0.00 C ATOM 1082 C LYS A 76 11.558 -5.727 -1.535 1.00 0.00 C ATOM 1083 O LYS A 76 11.657 -6.942 -1.395 1.00 0.00 O ATOM 1084 CB LYS A 76 13.227 -3.937 -1.279 1.00 0.00 C ATOM 1085 CG LYS A 76 14.411 -3.174 -1.825 1.00 0.00 C ATOM 1086 CD LYS A 76 15.118 -2.414 -0.736 1.00 0.00 C ATOM 1087 CE LYS A 76 16.038 -1.357 -1.308 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.874 -0.691 -0.276 1.00 0.00 N ATOM 0 H LYS A 76 11.660 -3.367 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 76 13.410 -5.613 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.454 -3.226 -0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.534 -4.465 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.106 -3.867 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.076 -2.481 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.383 -1.944 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.694 -3.106 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.688 -1.815 -2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.441 -0.605 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.747 0.339 -0.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.586 -1.019 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.874 -0.927 -0.434 1.00 0.00 H new ATOM 1102 N ILE A 77 10.527 -5.029 -1.092 1.00 0.00 N ATOM 1103 CA ILE A 77 9.545 -5.623 -0.211 1.00 0.00 C ATOM 1104 C ILE A 77 8.570 -6.495 -0.984 1.00 0.00 C ATOM 1105 O ILE A 77 8.162 -6.170 -2.099 1.00 0.00 O ATOM 1106 CB ILE A 77 8.767 -4.552 0.577 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.737 -3.616 1.297 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.835 -5.189 1.589 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.598 -4.324 2.319 1.00 0.00 C ATOM 0 H ILE A 77 10.351 -4.053 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 77 10.092 -6.245 0.498 1.00 0.00 H new ATOM 0 HB ILE A 77 8.171 -3.981 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.380 -3.133 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.171 -2.827 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.299 -4.410 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.120 -5.830 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.415 -5.786 2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.264 -3.604 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.962 -4.784 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.190 -5.095 1.825 1.00 0.00 H new ATOM 1121 N ILE A 78 8.221 -7.605 -0.376 1.00 0.00 N ATOM 1122 CA ILE A 78 7.307 -8.567 -0.969 1.00 0.00 C ATOM 1123 C ILE A 78 5.898 -8.340 -0.438 1.00 0.00 C ATOM 1124 O ILE A 78 5.717 -8.096 0.751 1.00 0.00 O ATOM 1125 CB ILE A 78 7.754 -10.022 -0.676 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.973 -10.390 -1.529 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.624 -11.018 -0.912 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.286 -9.828 -1.021 1.00 0.00 C ATOM 0 H ILE A 78 8.562 -7.872 0.548 1.00 0.00 H new ATOM 0 HA ILE A 78 7.316 -8.421 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 78 8.028 -10.075 0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.052 -11.476 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.809 -10.035 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.977 -12.026 -0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.786 -10.779 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.301 -10.962 -1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.095 -10.137 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.231 -8.740 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.477 -10.203 -0.016 1.00 0.00 H new ATOM 1140 N CYS A 79 4.914 -8.365 -1.323 1.00 0.00 N ATOM 1141 CA CYS A 79 3.529 -8.287 -0.916 1.00 0.00 C ATOM 1142 C CYS A 79 2.735 -9.436 -1.508 1.00 0.00 C ATOM 1143 O CYS A 79 2.931 -9.816 -2.663 1.00 0.00 O ATOM 1144 CB CYS A 79 2.938 -6.957 -1.344 1.00 0.00 C ATOM 1145 SG CYS A 79 3.462 -6.417 -2.984 1.00 0.00 S ATOM 0 H CYS A 79 5.055 -8.439 -2.331 1.00 0.00 H new ATOM 0 HA CYS A 79 3.478 -8.361 0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.851 -7.032 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.217 -6.196 -0.615 1.00 0.00 H new ATOM 0 HG CYS A 79 2.579 -6.784 -3.864 1.00 0.00 H new ATOM 1151 N THR A 80 1.845 -9.989 -0.708 1.00 0.00 N ATOM 1152 CA THR A 80 1.083 -11.152 -1.113 1.00 0.00 C ATOM 1153 C THR A 80 -0.397 -11.050 -0.743 1.00 0.00 C ATOM 1154 O THR A 80 -0.772 -11.303 0.400 1.00 0.00 O ATOM 1155 CB THR A 80 1.654 -12.417 -0.467 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.986 -12.660 -0.934 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.756 -13.598 -0.767 1.00 0.00 C ATOM 0 H THR A 80 1.632 -9.650 0.230 1.00 0.00 H new ATOM 0 HA THR A 80 1.162 -11.202 -2.199 1.00 0.00 H new ATOM 0 HB THR A 80 1.695 -12.276 0.613 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.338 -13.471 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.168 -14.495 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.240 -13.408 -0.367 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.693 -13.742 -1.846 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.231 -10.706 -1.707 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.667 -10.782 -1.515 1.00 0.00 C ATOM 1167 C CYS A 81 -3.147 -12.134 -2.036 1.00 0.00 C ATOM 1168 O CYS A 81 -2.654 -12.625 -3.054 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.380 -9.617 -2.207 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.902 -7.991 -1.572 1.00 0.00 S ATOM 0 H CYS A 81 -0.941 -10.373 -2.626 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.907 -10.699 -0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.169 -9.656 -3.276 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.457 -9.741 -2.090 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.686 -7.720 -1.943 1.00 0.00 H new ATOM 1176 N LYS A 82 -4.089 -12.730 -1.331 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.410 -14.139 -1.507 1.00 0.00 C ATOM 1178 C LYS A 82 -5.829 -14.353 -2.037 1.00 0.00 C ATOM 1179 O LYS A 82 -6.514 -13.406 -2.419 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.221 -14.868 -0.180 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.786 -14.840 0.326 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.635 -15.593 1.637 1.00 0.00 C ATOM 1183 CE LYS A 82 -3.326 -14.874 2.784 1.00 0.00 C ATOM 1184 NZ LYS A 82 -3.162 -15.599 4.073 1.00 0.00 N ATOM 0 H LYS A 82 -4.652 -12.258 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.731 -14.546 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.872 -14.417 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.538 -15.905 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.128 -15.279 -0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.469 -13.806 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.053 -16.594 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.576 -15.712 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.919 -13.867 2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.387 -14.768 2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.648 -15.076 4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.573 -16.551 3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.150 -15.678 4.301 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.250 -15.609 -2.086 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.577 -15.970 -2.586 1.00 0.00 C ATOM 1200 C GLU A 83 -8.701 -15.240 -1.832 1.00 0.00 C ATOM 1201 O GLU A 83 -9.577 -14.651 -2.469 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.755 -17.497 -2.516 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.936 -18.052 -3.304 1.00 0.00 C ATOM 1204 CD GLU A 83 -10.276 -17.816 -2.637 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -10.481 -18.311 -1.509 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -11.130 -17.139 -3.237 1.00 0.00 O ATOM 0 H GLU A 83 -5.688 -16.405 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.648 -15.649 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.843 -17.970 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.869 -17.785 -1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.947 -17.596 -4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.795 -19.123 -3.448 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.699 -15.236 -0.476 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.747 -14.563 0.306 1.00 0.00 C ATOM 1215 C PRO A 84 -9.705 -13.042 0.181 1.00 0.00 C ATOM 1216 O PRO A 84 -10.427 -12.336 0.884 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.438 -14.969 1.748 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.988 -15.286 1.746 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.710 -15.888 0.404 1.00 0.00 C ATOM 0 HA PRO A 84 -10.740 -14.851 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.666 -14.162 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.032 -15.831 2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.390 -14.388 1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.738 -15.981 2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.689 -15.689 0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.835 -16.971 0.416 1.00 0.00 H new ATOM 1227 N THR A 85 -8.870 -12.535 -0.711 1.00 0.00 N ATOM 1228 CA THR A 85 -8.719 -11.099 -0.855 1.00 0.00 C ATOM 1229 C THR A 85 -8.972 -10.656 -2.298 1.00 0.00 C ATOM 1230 O THR A 85 -8.176 -10.926 -3.198 1.00 0.00 O ATOM 1231 CB THR A 85 -7.321 -10.619 -0.382 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.286 -11.244 -1.130 1.00 0.00 O ATOM 1233 CG2 THR A 85 -7.108 -10.906 1.095 1.00 0.00 C ATOM 0 H THR A 85 -8.292 -13.092 -1.340 1.00 0.00 H new ATOM 0 HA THR A 85 -9.469 -10.635 -0.215 1.00 0.00 H new ATOM 0 HB THR A 85 -7.283 -9.542 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.681 -11.842 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.120 -10.558 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.868 -10.388 1.680 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.184 -11.979 1.272 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.135 -9.988 -2.514 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.557 -9.424 -3.804 1.00 0.00 C ATOM 1243 C PRO A 86 -9.435 -8.851 -4.705 1.00 0.00 C ATOM 1244 O PRO A 86 -9.417 -9.143 -5.898 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.538 -8.334 -3.349 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.251 -8.964 -2.208 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.197 -9.774 -1.488 1.00 0.00 C ATOM 0 HA PRO A 86 -10.968 -10.193 -4.458 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.017 -7.426 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.226 -8.054 -4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.688 -8.212 -1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -13.068 -9.597 -2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.810 -9.241 -0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.599 -10.721 -1.128 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.508 -8.043 -4.174 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.493 -7.405 -5.037 1.00 0.00 C ATOM 1257 C ASN A 87 -6.170 -7.145 -4.324 1.00 0.00 C ATOM 1258 O ASN A 87 -6.105 -7.145 -3.101 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.011 -6.079 -5.594 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.097 -5.469 -6.647 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.501 -6.175 -7.459 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -6.966 -4.152 -6.617 1.00 0.00 N ATOM 0 H ASN A 87 -8.435 -7.817 -3.182 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.307 -8.115 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.999 -6.236 -6.028 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.132 -5.371 -4.774 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.352 -3.685 -7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.479 -3.604 -5.926 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.123 -6.947 -5.124 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.863 -6.378 -4.663 1.00 0.00 C ATOM 1271 C ALA A 88 -3.619 -5.057 -5.393 1.00 0.00 C ATOM 1272 O ALA A 88 -3.307 -5.041 -6.585 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.710 -7.340 -4.907 1.00 0.00 C ATOM 0 H ALA A 88 -5.128 -7.180 -6.117 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.923 -6.199 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.781 -6.892 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.892 -8.270 -4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.630 -7.549 -5.974 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.776 -3.957 -4.674 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.675 -2.634 -5.228 1.00 0.00 C ATOM 1281 C TYR A 89 -2.230 -2.173 -5.228 1.00 0.00 C ATOM 1282 O TYR A 89 -1.558 -2.288 -4.207 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.501 -1.722 -4.350 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.303 -0.719 -5.083 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -4.774 0.490 -5.508 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.616 -0.983 -5.319 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -5.565 1.410 -6.167 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.408 -0.087 -5.958 1.00 0.00 C ATOM 1289 CZ TYR A 89 -6.890 1.116 -6.390 1.00 0.00 C ATOM 1290 OH TYR A 89 -7.702 2.024 -7.036 1.00 0.00 O ATOM 0 H TYR A 89 -3.980 -3.968 -3.675 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.033 -2.620 -6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.172 -2.332 -3.745 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.835 -1.202 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.734 0.714 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.035 -1.923 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.149 2.348 -6.503 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.449 -0.316 -6.129 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.533 2.923 -6.684 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.757 -1.657 -6.358 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.361 -1.248 -6.485 1.00 0.00 C ATOM 1302 C TYR A 90 0.546 -2.405 -6.125 1.00 0.00 C ATOM 1303 O TYR A 90 1.393 -2.299 -5.244 1.00 0.00 O ATOM 1304 CB TYR A 90 -0.062 -0.002 -5.630 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.565 1.274 -6.269 1.00 0.00 C ATOM 1306 CD1 TYR A 90 0.196 1.940 -7.221 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -1.801 1.807 -5.932 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -0.261 3.101 -7.817 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -2.266 2.966 -6.526 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.493 3.611 -7.465 1.00 0.00 C ATOM 1311 OH TYR A 90 -1.955 4.764 -8.057 1.00 0.00 O ATOM 0 H TYR A 90 -2.318 -1.512 -7.198 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.169 -0.970 -7.521 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.523 -0.119 -4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.013 0.075 -5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.161 1.544 -7.501 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.410 1.308 -5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.344 3.606 -8.555 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.233 3.364 -6.254 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.839 4.985 -7.697 1.00 0.00 H new ATOM 1321 N GLU A 91 0.319 -3.525 -6.813 1.00 0.00 N ATOM 1322 CA GLU A 91 1.128 -4.731 -6.671 1.00 0.00 C ATOM 1323 C GLU A 91 0.906 -5.412 -5.323 1.00 0.00 C ATOM 1324 O GLU A 91 1.381 -6.522 -5.090 1.00 0.00 O ATOM 1325 CB GLU A 91 2.595 -4.374 -6.856 1.00 0.00 C ATOM 1326 CG GLU A 91 2.838 -3.488 -8.064 1.00 0.00 C ATOM 1327 CD GLU A 91 2.885 -4.263 -9.361 1.00 0.00 C ATOM 1328 OE1 GLU A 91 3.915 -4.905 -9.643 1.00 0.00 O ATOM 1329 OE2 GLU A 91 1.882 -4.237 -10.104 1.00 0.00 O ATOM 0 H GLU A 91 -0.439 -3.619 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 91 0.822 -5.442 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.956 -3.867 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.177 -5.290 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.049 -2.738 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.778 -2.952 -7.932 1.00 0.00 H new ATOM 1336 N GLY A 92 0.168 -4.752 -4.450 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.088 -5.292 -3.136 1.00 0.00 C ATOM 1338 C GLY A 92 0.219 -4.306 -2.028 1.00 0.00 C ATOM 1339 O GLY A 92 0.425 -4.706 -0.884 1.00 0.00 O ATOM 0 H GLY A 92 -0.262 -3.845 -4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.133 -5.593 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.513 -6.190 -2.994 1.00 0.00 H new ATOM 1343 N VAL A 93 0.269 -3.018 -2.366 1.00 0.00 N ATOM 1344 CA VAL A 93 0.341 -1.968 -1.353 1.00 0.00 C ATOM 1345 C VAL A 93 -0.989 -1.910 -0.628 1.00 0.00 C ATOM 1346 O VAL A 93 -1.088 -1.484 0.523 1.00 0.00 O ATOM 1347 CB VAL A 93 0.649 -0.579 -1.963 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.838 0.477 -0.886 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.871 -0.643 -2.862 1.00 0.00 C ATOM 0 H VAL A 93 0.261 -2.679 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 93 1.156 -2.211 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.212 -0.290 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.053 1.438 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.072 0.557 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.669 0.194 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.068 0.345 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.733 -0.970 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.690 -1.350 -3.672 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.019 -2.340 -1.335 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.348 -2.450 -0.769 1.00 0.00 C ATOM 1361 C PHE A 94 -4.064 -3.604 -1.402 1.00 0.00 C ATOM 1362 O PHE A 94 -3.482 -4.439 -2.089 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.217 -1.198 -0.995 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.459 0.079 -1.088 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.694 0.350 -2.200 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.513 1.006 -0.071 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -1.994 1.504 -2.300 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.812 2.178 -0.166 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.048 2.429 -1.281 1.00 0.00 C ATOM 0 H PHE A 94 -1.956 -2.621 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.209 -2.582 0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.790 -1.332 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.935 -1.119 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.652 -0.369 -3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.111 0.807 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.394 1.699 -3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.859 2.903 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.491 3.351 -1.358 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.333 -3.618 -1.144 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.245 -4.557 -1.696 1.00 0.00 C ATOM 1381 C CYS A 95 -7.471 -3.758 -2.150 1.00 0.00 C ATOM 1382 O CYS A 95 -7.509 -2.564 -1.917 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.540 -5.603 -0.627 1.00 0.00 C ATOM 1384 SG CYS A 95 -7.072 -4.908 0.955 1.00 0.00 S ATOM 0 H CYS A 95 -5.776 -2.946 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.862 -5.098 -2.561 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.314 -6.276 -0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.646 -6.205 -0.465 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.065 -4.324 1.533 1.00 0.00 H new ATOM 1390 N SER A 96 -8.410 -4.354 -2.865 1.00 0.00 N ATOM 1391 CA SER A 96 -9.589 -3.622 -3.332 1.00 0.00 C ATOM 1392 C SER A 96 -10.620 -4.560 -3.944 1.00 0.00 C ATOM 1393 O SER A 96 -10.396 -5.758 -4.033 1.00 0.00 O ATOM 1394 CB SER A 96 -9.221 -2.528 -4.322 1.00 0.00 C ATOM 1395 OG SER A 96 -9.196 -1.264 -3.682 1.00 0.00 O ATOM 0 H SER A 96 -8.385 -5.337 -3.137 1.00 0.00 H new ATOM 0 HA SER A 96 -10.031 -3.148 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.245 -2.739 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.941 -2.513 -5.140 1.00 0.00 H new ATOM 0 HG SER A 96 -8.548 -0.682 -4.132 1.00 0.00 H new ATOM 1401 N SER A 97 -11.759 -4.005 -4.322 1.00 0.00 N ATOM 1402 CA SER A 97 -12.895 -4.782 -4.797 1.00 0.00 C ATOM 1403 C SER A 97 -12.686 -5.338 -6.199 1.00 0.00 C ATOM 1404 O SER A 97 -13.394 -4.975 -7.136 1.00 0.00 O ATOM 1405 CB SER A 97 -14.122 -3.898 -4.773 1.00 0.00 C ATOM 1406 OG SER A 97 -13.798 -2.606 -5.249 1.00 0.00 O ATOM 0 H SER A 97 -11.924 -2.999 -4.309 1.00 0.00 H new ATOM 0 HA SER A 97 -13.016 -5.641 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.907 -4.335 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.513 -3.833 -3.758 1.00 0.00 H new ATOM 0 HG SER A 97 -14.558 -2.241 -5.748 1.00 0.00 H new