USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 477 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 67 THR OG1 : rot -69:sc= 1.23 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.994 K(o=2.2,f=-4.6!) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 34 HIS : no HD1:sc= 0.539 K(o=0.76,f=-8.7!) USER MOD Set 3.2: A 35 THR OG1 : rot 37:sc= 0.22 USER MOD Single : A 28 CYS SG : rot 27:sc= 0.713 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.763 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.0145 (180deg=-0.357) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.0375 (180deg=-0.445) USER MOD Single : A 59 CYS SG : rot 2:sc= -0.166 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -88:sc= 0.175 USER MOD Single : A 63 MET CE :methyl 149:sc= -0.0891 (180deg=-0.874) USER MOD Single : A 65 MET CE :methyl -151:sc= -1.82 (180deg=-5.03!) USER MOD Single : A 69 MET CE :methyl -171:sc= -0.646 (180deg=-0.828) USER MOD Single : A 71 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.4!) USER MOD Single : A 72 ASN : amide:sc= -0.283 K(o=-0.28,f=-2.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -0.549 (180deg=-0.73) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N CYS A 28 10.383 2.861 0.390 1.00 0.00 N ATOM 42 CA CYS A 28 11.792 3.139 0.621 1.00 0.00 C ATOM 43 C CYS A 28 12.093 3.154 2.114 1.00 0.00 C ATOM 44 O CYS A 28 11.400 3.808 2.894 1.00 0.00 O ATOM 45 CB CYS A 28 12.164 4.489 0.007 1.00 0.00 C ATOM 46 SG CYS A 28 11.218 5.803 0.817 1.00 0.00 S ATOM 0 HA CYS A 28 12.383 2.353 0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 28 13.232 4.671 0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.956 4.483 -1.063 1.00 0.00 H new ATOM 0 HG CYS A 28 10.911 5.435 2.026 1.00 0.00 H new ATOM 52 N GLY A 29 13.124 2.416 2.503 1.00 0.00 N ATOM 53 CA GLY A 29 13.509 2.332 3.907 1.00 0.00 C ATOM 54 C GLY A 29 14.803 1.541 4.071 1.00 0.00 C ATOM 55 O GLY A 29 15.620 1.469 3.152 1.00 0.00 O ATOM 0 H GLY A 29 13.707 1.869 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.637 3.335 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.712 1.856 4.479 1.00 0.00 H new ATOM 59 N ARG A 30 14.987 0.958 5.252 1.00 0.00 N ATOM 60 CA ARG A 30 16.191 0.187 5.530 1.00 0.00 C ATOM 61 C ARG A 30 15.870 -1.304 5.581 1.00 0.00 C ATOM 62 O ARG A 30 14.818 -1.710 6.075 1.00 0.00 O ATOM 63 CB ARG A 30 16.792 0.619 6.871 1.00 0.00 C ATOM 64 CG ARG A 30 17.056 2.129 6.868 1.00 0.00 C ATOM 65 CD ARG A 30 18.137 2.463 5.840 1.00 0.00 C ATOM 66 NE ARG A 30 17.528 2.732 4.541 1.00 0.00 N ATOM 67 CZ ARG A 30 16.876 3.870 4.289 1.00 0.00 C ATOM 68 NH1 ARG A 30 16.759 4.800 5.204 1.00 0.00 N ATOM 69 NH2 ARG A 30 16.346 4.059 3.112 1.00 0.00 N ATOM 0 H ARG A 30 14.323 1.005 6.025 1.00 0.00 H new ATOM 0 HA ARG A 30 16.909 0.371 4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.111 0.363 7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.722 0.080 7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.138 2.668 6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.371 2.454 7.859 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.707 3.331 6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.839 1.633 5.756 1.00 0.00 H new ATOM 0 HE ARG A 30 17.603 2.030 3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.170 4.661 6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.257 5.663 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.431 3.341 2.393 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.846 4.925 2.911 1.00 0.00 H new ATOM 83 N ALA A 31 16.789 -2.112 5.065 1.00 0.00 N ATOM 84 CA ALA A 31 16.602 -3.555 5.051 1.00 0.00 C ATOM 85 C ALA A 31 17.500 -4.211 6.090 1.00 0.00 C ATOM 86 O ALA A 31 18.724 -4.125 6.011 1.00 0.00 O ATOM 87 CB ALA A 31 16.938 -4.102 3.663 1.00 0.00 C ATOM 0 H ALA A 31 17.666 -1.793 4.653 1.00 0.00 H new ATOM 0 HA ALA A 31 15.562 -3.780 5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.797 -5.183 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.281 -3.645 2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.975 -3.869 3.421 1.00 0.00 H new ATOM 93 N ARG A 32 16.881 -4.858 7.064 1.00 0.00 N ATOM 94 CA ARG A 32 17.631 -5.517 8.120 1.00 0.00 C ATOM 95 C ARG A 32 17.806 -6.992 7.793 1.00 0.00 C ATOM 96 O ARG A 32 16.830 -7.717 7.619 1.00 0.00 O ATOM 97 CB ARG A 32 16.883 -5.364 9.441 1.00 0.00 C ATOM 98 CG ARG A 32 17.813 -5.700 10.602 1.00 0.00 C ATOM 99 CD ARG A 32 17.120 -5.329 11.913 1.00 0.00 C ATOM 100 NE ARG A 32 18.060 -5.443 13.027 1.00 0.00 N ATOM 101 CZ ARG A 32 17.751 -5.036 14.262 1.00 0.00 C ATOM 102 NH1 ARG A 32 16.578 -4.522 14.530 1.00 0.00 N ATOM 103 NH2 ARG A 32 18.634 -5.150 15.216 1.00 0.00 N ATOM 0 H ARG A 32 15.868 -4.941 7.145 1.00 0.00 H new ATOM 0 HA ARG A 32 18.616 -5.057 8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.512 -4.344 9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.014 -6.022 9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.059 -6.762 10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 32 18.751 -5.154 10.504 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.735 -4.311 11.855 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.265 -5.984 12.080 1.00 0.00 H new ATOM 0 HE ARG A 32 18.981 -5.846 12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.882 -4.427 13.791 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.360 -4.217 15.478 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.552 -5.547 15.016 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.406 -4.842 16.161 1.00 0.00 H new ATOM 117 N VAL A 33 19.055 -7.427 7.699 1.00 0.00 N ATOM 118 CA VAL A 33 19.340 -8.820 7.377 1.00 0.00 C ATOM 119 C VAL A 33 19.226 -9.694 8.618 1.00 0.00 C ATOM 120 O VAL A 33 19.881 -9.446 9.630 1.00 0.00 O ATOM 121 CB VAL A 33 20.750 -8.938 6.798 1.00 0.00 C ATOM 122 CG1 VAL A 33 21.067 -10.408 6.515 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.837 -8.138 5.495 1.00 0.00 C ATOM 0 H VAL A 33 19.880 -6.843 7.839 1.00 0.00 H new ATOM 0 HA VAL A 33 18.611 -9.160 6.642 1.00 0.00 H new ATOM 0 HB VAL A 33 21.469 -8.544 7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 33 22.072 -10.490 6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 33 21.007 -10.978 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.347 -10.804 5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.842 -8.222 5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.116 -8.531 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.614 -7.090 5.696 1.00 0.00 H new ATOM 133 N HIS A 34 18.394 -10.725 8.527 1.00 0.00 N ATOM 134 CA HIS A 34 18.207 -11.643 9.642 1.00 0.00 C ATOM 135 C HIS A 34 18.688 -13.049 9.279 1.00 0.00 C ATOM 136 O HIS A 34 18.766 -13.925 10.141 1.00 0.00 O ATOM 137 CB HIS A 34 16.731 -11.694 10.038 1.00 0.00 C ATOM 138 CG HIS A 34 15.925 -12.227 8.890 1.00 0.00 C ATOM 139 ND1 HIS A 34 15.780 -13.585 8.658 1.00 0.00 N ATOM 140 CD2 HIS A 34 15.214 -11.598 7.900 1.00 0.00 C ATOM 141 CE1 HIS A 34 15.007 -13.728 7.566 1.00 0.00 C ATOM 142 NE2 HIS A 34 14.634 -12.548 7.065 1.00 0.00 N ATOM 0 H HIS A 34 17.842 -10.945 7.698 1.00 0.00 H new ATOM 0 HA HIS A 34 18.797 -11.279 10.483 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.600 -12.329 10.914 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.382 -10.698 10.311 1.00 0.00 H new ATOM 0 HD2 HIS A 34 15.119 -10.528 7.786 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.723 -14.681 7.146 1.00 0.00 H new ATOM 0 HE2 HIS A 34 14.050 -12.379 6.246 1.00 0.00 H new ATOM 150 N THR A 35 19.011 -13.265 8.003 1.00 0.00 N ATOM 151 CA THR A 35 19.483 -14.569 7.552 1.00 0.00 C ATOM 152 C THR A 35 20.780 -14.427 6.761 1.00 0.00 C ATOM 153 O THR A 35 20.915 -13.530 5.929 1.00 0.00 O ATOM 154 CB THR A 35 18.416 -15.229 6.680 1.00 0.00 C ATOM 155 OG1 THR A 35 17.247 -15.456 7.454 1.00 0.00 O ATOM 156 CG2 THR A 35 18.935 -16.553 6.117 1.00 0.00 C ATOM 0 H THR A 35 18.954 -12.558 7.270 1.00 0.00 H new ATOM 0 HA THR A 35 19.676 -15.191 8.426 1.00 0.00 H new ATOM 0 HB THR A 35 18.177 -14.568 5.847 1.00 0.00 H new ATOM 0 HG1 THR A 35 17.120 -14.713 8.080 1.00 0.00 H new ATOM 0 HG21 THR A 35 18.164 -17.012 5.498 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.823 -16.368 5.513 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.188 -17.224 6.938 1.00 0.00 H new ATOM 164 N ASP A 36 21.733 -15.314 7.027 1.00 0.00 N ATOM 165 CA ASP A 36 23.012 -15.271 6.334 1.00 0.00 C ATOM 166 C ASP A 36 22.840 -15.664 4.872 1.00 0.00 C ATOM 167 O ASP A 36 22.404 -16.774 4.563 1.00 0.00 O ATOM 168 CB ASP A 36 24.001 -16.224 7.006 1.00 0.00 C ATOM 169 CG ASP A 36 25.369 -16.109 6.345 1.00 0.00 C ATOM 170 OD1 ASP A 36 25.963 -15.048 6.442 1.00 0.00 O ATOM 171 OD2 ASP A 36 25.802 -17.082 5.753 1.00 0.00 O ATOM 0 H ASP A 36 21.644 -16.065 7.712 1.00 0.00 H new ATOM 0 HA ASP A 36 23.398 -14.253 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.080 -15.989 8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.638 -17.249 6.932 1.00 0.00 H new ATOM 176 N PHE A 37 23.186 -14.747 3.974 1.00 0.00 N ATOM 177 CA PHE A 37 23.065 -15.010 2.541 1.00 0.00 C ATOM 178 C PHE A 37 24.031 -16.125 2.138 1.00 0.00 C ATOM 179 O PHE A 37 25.181 -16.144 2.580 1.00 0.00 O ATOM 180 CB PHE A 37 23.371 -13.738 1.742 1.00 0.00 C ATOM 181 CG PHE A 37 23.071 -13.959 0.276 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.806 -13.639 -0.240 1.00 0.00 C ATOM 183 CD2 PHE A 37 24.053 -14.490 -0.565 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.528 -13.857 -1.594 1.00 0.00 C ATOM 185 CE2 PHE A 37 23.775 -14.705 -1.920 1.00 0.00 C ATOM 186 CZ PHE A 37 22.513 -14.389 -2.434 1.00 0.00 C ATOM 0 H PHE A 37 23.549 -13.823 4.208 1.00 0.00 H new ATOM 0 HA PHE A 37 22.044 -15.323 2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 37 22.775 -12.908 2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 37 24.418 -13.463 1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 37 21.047 -13.225 0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 37 25.027 -14.735 -0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 37 20.553 -13.615 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 37 24.535 -15.115 -2.569 1.00 0.00 H new ATOM 0 HZ PHE A 37 22.299 -14.556 -3.479 1.00 0.00 H new ATOM 196 N THR A 38 23.566 -17.057 1.308 1.00 0.00 N ATOM 197 CA THR A 38 24.413 -18.166 0.872 1.00 0.00 C ATOM 198 C THR A 38 24.601 -18.141 -0.653 1.00 0.00 C ATOM 199 O THR A 38 23.764 -18.668 -1.387 1.00 0.00 O ATOM 200 CB THR A 38 23.772 -19.495 1.279 1.00 0.00 C ATOM 201 OG1 THR A 38 23.620 -19.532 2.691 1.00 0.00 O ATOM 202 CG2 THR A 38 24.677 -20.640 0.834 1.00 0.00 C ATOM 0 H THR A 38 22.620 -17.068 0.928 1.00 0.00 H new ATOM 0 HA THR A 38 25.388 -18.062 1.349 1.00 0.00 H new ATOM 0 HB THR A 38 22.794 -19.594 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 38 23.208 -20.382 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 38 24.228 -21.591 1.120 1.00 0.00 H new ATOM 0 HG22 THR A 38 24.799 -20.607 -0.249 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.651 -20.541 1.312 1.00 0.00 H new ATOM 210 N PRO A 39 25.672 -17.545 -1.151 1.00 0.00 N ATOM 211 CA PRO A 39 25.932 -17.464 -2.623 1.00 0.00 C ATOM 212 C PRO A 39 26.384 -18.803 -3.204 1.00 0.00 C ATOM 213 O PRO A 39 26.886 -19.663 -2.481 1.00 0.00 O ATOM 214 CB PRO A 39 27.031 -16.407 -2.734 1.00 0.00 C ATOM 215 CG PRO A 39 27.769 -16.471 -1.442 1.00 0.00 C ATOM 216 CD PRO A 39 26.753 -16.897 -0.379 1.00 0.00 C ATOM 0 HA PRO A 39 25.036 -17.209 -3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 39 27.692 -16.614 -3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 39 26.608 -15.416 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 39 28.591 -17.184 -1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 39 28.204 -15.502 -1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 39 27.195 -17.585 0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 39 26.382 -16.040 0.184 1.00 0.00 H new ATOM 224 N SER A 40 26.196 -18.980 -4.510 1.00 0.00 N ATOM 225 CA SER A 40 26.588 -20.229 -5.156 1.00 0.00 C ATOM 226 C SER A 40 28.095 -20.250 -5.430 1.00 0.00 C ATOM 227 O SER A 40 28.734 -19.200 -5.495 1.00 0.00 O ATOM 228 CB SER A 40 25.827 -20.408 -6.469 1.00 0.00 C ATOM 229 OG SER A 40 24.436 -20.511 -6.196 1.00 0.00 O ATOM 0 H SER A 40 25.782 -18.286 -5.133 1.00 0.00 H new ATOM 0 HA SER A 40 26.342 -21.049 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.018 -19.563 -7.131 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.175 -21.303 -6.985 1.00 0.00 H new ATOM 0 HG SER A 40 23.945 -20.624 -7.037 1.00 0.00 H new ATOM 235 N PRO A 41 28.680 -21.419 -5.588 1.00 0.00 N ATOM 236 CA PRO A 41 30.150 -21.552 -5.858 1.00 0.00 C ATOM 237 C PRO A 41 30.576 -20.787 -7.111 1.00 0.00 C ATOM 238 O PRO A 41 31.637 -20.164 -7.141 1.00 0.00 O ATOM 239 CB PRO A 41 30.346 -23.060 -6.060 1.00 0.00 C ATOM 240 CG PRO A 41 29.200 -23.695 -5.353 1.00 0.00 C ATOM 241 CD PRO A 41 28.024 -22.740 -5.537 1.00 0.00 C ATOM 0 HA PRO A 41 30.752 -21.139 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 41 30.349 -23.319 -7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 41 31.298 -23.393 -5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 41 28.977 -24.677 -5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 41 29.424 -23.842 -4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 41 27.470 -22.952 -6.452 1.00 0.00 H new ATOM 0 HD3 PRO A 41 27.315 -22.808 -4.712 1.00 0.00 H new ATOM 249 N TYR A 42 29.740 -20.851 -8.146 1.00 0.00 N ATOM 250 CA TYR A 42 30.029 -20.173 -9.409 1.00 0.00 C ATOM 251 C TYR A 42 29.472 -18.751 -9.412 1.00 0.00 C ATOM 252 O TYR A 42 29.342 -18.132 -10.469 1.00 0.00 O ATOM 253 CB TYR A 42 29.423 -20.956 -10.582 1.00 0.00 C ATOM 254 CG TYR A 42 27.930 -21.106 -10.381 1.00 0.00 C ATOM 255 CD1 TYR A 42 27.062 -20.098 -10.819 1.00 0.00 C ATOM 256 CD2 TYR A 42 27.414 -22.252 -9.759 1.00 0.00 C ATOM 257 CE1 TYR A 42 25.680 -20.235 -10.635 1.00 0.00 C ATOM 258 CE2 TYR A 42 26.033 -22.386 -9.576 1.00 0.00 C ATOM 259 CZ TYR A 42 25.166 -21.377 -10.012 1.00 0.00 C ATOM 260 OH TYR A 42 23.805 -21.509 -9.828 1.00 0.00 O ATOM 0 H TYR A 42 28.859 -21.364 -8.135 1.00 0.00 H new ATOM 0 HA TYR A 42 31.112 -20.125 -9.519 1.00 0.00 H new ATOM 0 HB2 TYR A 42 29.623 -20.437 -11.520 1.00 0.00 H new ATOM 0 HB3 TYR A 42 29.890 -21.938 -10.656 1.00 0.00 H new ATOM 0 HD1 TYR A 42 27.458 -19.215 -11.299 1.00 0.00 H new ATOM 0 HD2 TYR A 42 28.082 -23.031 -9.421 1.00 0.00 H new ATOM 0 HE1 TYR A 42 25.011 -19.458 -10.974 1.00 0.00 H new ATOM 0 HE2 TYR A 42 25.636 -23.269 -9.098 1.00 0.00 H new ATOM 0 HH TYR A 42 23.616 -22.361 -9.381 1.00 0.00 H new ATOM 270 N ASP A 43 29.152 -18.233 -8.230 1.00 0.00 N ATOM 271 CA ASP A 43 28.624 -16.878 -8.124 1.00 0.00 C ATOM 272 C ASP A 43 29.620 -15.967 -7.411 1.00 0.00 C ATOM 273 O ASP A 43 29.889 -16.136 -6.222 1.00 0.00 O ATOM 274 CB ASP A 43 27.299 -16.889 -7.357 1.00 0.00 C ATOM 275 CG ASP A 43 26.159 -17.329 -8.272 1.00 0.00 C ATOM 276 OD1 ASP A 43 26.385 -17.432 -9.468 1.00 0.00 O ATOM 277 OD2 ASP A 43 25.073 -17.554 -7.764 1.00 0.00 O ATOM 0 H ASP A 43 29.248 -18.725 -7.342 1.00 0.00 H new ATOM 0 HA ASP A 43 28.456 -16.496 -9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 43 27.371 -17.564 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 43 27.093 -15.895 -6.960 1.00 0.00 H new ATOM 282 N THR A 44 30.161 -14.999 -8.145 1.00 0.00 N ATOM 283 CA THR A 44 31.122 -14.062 -7.571 1.00 0.00 C ATOM 284 C THR A 44 30.525 -12.658 -7.506 1.00 0.00 C ATOM 285 O THR A 44 31.017 -11.797 -6.776 1.00 0.00 O ATOM 286 CB THR A 44 32.394 -14.043 -8.420 1.00 0.00 C ATOM 287 OG1 THR A 44 32.093 -13.520 -9.706 1.00 0.00 O ATOM 288 CG2 THR A 44 32.920 -15.470 -8.567 1.00 0.00 C ATOM 0 H THR A 44 29.953 -14.843 -9.131 1.00 0.00 H new ATOM 0 HA THR A 44 31.365 -14.386 -6.559 1.00 0.00 H new ATOM 0 HB THR A 44 33.148 -13.420 -7.939 1.00 0.00 H new ATOM 0 HG1 THR A 44 32.907 -13.505 -10.252 1.00 0.00 H new ATOM 0 HG21 THR A 44 33.827 -15.463 -9.171 1.00 0.00 H new ATOM 0 HG22 THR A 44 33.144 -15.879 -7.582 1.00 0.00 H new ATOM 0 HG23 THR A 44 32.165 -16.088 -9.053 1.00 0.00 H new ATOM 296 N ASP A 45 29.458 -12.436 -8.269 1.00 0.00 N ATOM 297 CA ASP A 45 28.796 -11.138 -8.286 1.00 0.00 C ATOM 298 C ASP A 45 27.734 -11.045 -7.185 1.00 0.00 C ATOM 299 O ASP A 45 26.995 -10.064 -7.111 1.00 0.00 O ATOM 300 CB ASP A 45 28.152 -10.905 -9.655 1.00 0.00 C ATOM 301 CG ASP A 45 27.088 -11.966 -9.923 1.00 0.00 C ATOM 302 OD1 ASP A 45 26.920 -12.836 -9.084 1.00 0.00 O ATOM 303 OD2 ASP A 45 26.459 -11.895 -10.965 1.00 0.00 O ATOM 0 H ASP A 45 29.036 -13.135 -8.880 1.00 0.00 H new ATOM 0 HA ASP A 45 29.545 -10.368 -8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 45 27.703 -9.912 -9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 45 28.914 -10.938 -10.434 1.00 0.00 H new ATOM 308 N SER A 46 27.666 -12.067 -6.330 1.00 0.00 N ATOM 309 CA SER A 46 26.696 -12.078 -5.240 1.00 0.00 C ATOM 310 C SER A 46 27.064 -11.044 -4.182 1.00 0.00 C ATOM 311 O SER A 46 28.237 -10.721 -3.996 1.00 0.00 O ATOM 312 CB SER A 46 26.646 -13.464 -4.599 1.00 0.00 C ATOM 313 OG SER A 46 26.136 -14.394 -5.543 1.00 0.00 O ATOM 0 H SER A 46 28.267 -12.890 -6.372 1.00 0.00 H new ATOM 0 HA SER A 46 25.717 -11.830 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.642 -13.765 -4.275 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.014 -13.445 -3.711 1.00 0.00 H new ATOM 0 HG SER A 46 26.103 -15.286 -5.138 1.00 0.00 H new ATOM 319 N LEU A 47 26.054 -10.530 -3.493 1.00 0.00 N ATOM 320 CA LEU A 47 26.281 -9.536 -2.456 1.00 0.00 C ATOM 321 C LEU A 47 26.625 -10.221 -1.138 1.00 0.00 C ATOM 322 O LEU A 47 25.983 -11.197 -0.751 1.00 0.00 O ATOM 323 CB LEU A 47 25.028 -8.679 -2.278 1.00 0.00 C ATOM 324 CG LEU A 47 25.272 -7.613 -1.204 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.383 -6.660 -1.657 1.00 0.00 C ATOM 326 CD2 LEU A 47 23.978 -6.828 -0.978 1.00 0.00 C ATOM 0 H LEU A 47 25.076 -10.784 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 47 27.115 -8.900 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.766 -8.202 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.184 -9.308 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 47 25.578 -8.094 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.551 -5.905 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.302 -7.223 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.088 -6.172 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.143 -6.067 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.676 -6.349 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.193 -7.508 -0.649 1.00 0.00 H new ATOM 338 N LYS A 48 27.632 -9.701 -0.447 1.00 0.00 N ATOM 339 CA LYS A 48 28.033 -10.273 0.831 1.00 0.00 C ATOM 340 C LYS A 48 27.336 -9.542 1.974 1.00 0.00 C ATOM 341 O LYS A 48 27.510 -8.337 2.150 1.00 0.00 O ATOM 342 CB LYS A 48 29.549 -10.163 1.002 1.00 0.00 C ATOM 343 CG LYS A 48 30.245 -11.077 -0.008 1.00 0.00 C ATOM 344 CD LYS A 48 31.763 -10.900 0.097 1.00 0.00 C ATOM 345 CE LYS A 48 32.256 -11.467 1.430 1.00 0.00 C ATOM 346 NZ LYS A 48 33.745 -11.409 1.476 1.00 0.00 N ATOM 0 H LYS A 48 28.180 -8.894 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 48 27.745 -11.324 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.868 -9.131 0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.832 -10.443 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.976 -12.116 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.910 -10.841 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 48 32.257 -11.409 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 48 32.022 -9.844 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.834 -10.897 2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.918 -12.497 1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 34.080 -11.794 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 34.139 -11.971 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 34.057 -10.421 1.384 1.00 0.00 H new ATOM 360 N ILE A 49 26.540 -10.278 2.745 1.00 0.00 N ATOM 361 CA ILE A 49 25.814 -9.686 3.863 1.00 0.00 C ATOM 362 C ILE A 49 25.893 -10.594 5.086 1.00 0.00 C ATOM 363 O ILE A 49 26.299 -11.751 4.984 1.00 0.00 O ATOM 364 CB ILE A 49 24.346 -9.456 3.476 1.00 0.00 C ATOM 365 CG1 ILE A 49 23.625 -10.795 3.302 1.00 0.00 C ATOM 366 CG2 ILE A 49 24.286 -8.700 2.150 1.00 0.00 C ATOM 367 CD1 ILE A 49 22.140 -10.547 3.011 1.00 0.00 C ATOM 0 H ILE A 49 26.382 -11.278 2.617 1.00 0.00 H new ATOM 0 HA ILE A 49 26.272 -8.727 4.107 1.00 0.00 H new ATOM 0 HB ILE A 49 23.863 -8.882 4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 49 24.076 -11.359 2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 49 23.733 -11.398 4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 49 23.245 -8.535 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 49 24.790 -7.739 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 49 24.780 -9.286 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 49 21.629 -11.502 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 49 21.693 -10.001 3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 49 22.041 -9.962 2.097 1.00 0.00 H new ATOM 379 N LYS A 50 25.490 -10.071 6.237 1.00 0.00 N ATOM 380 CA LYS A 50 25.509 -10.858 7.463 1.00 0.00 C ATOM 381 C LYS A 50 24.375 -10.429 8.387 1.00 0.00 C ATOM 382 O LYS A 50 23.876 -9.309 8.295 1.00 0.00 O ATOM 383 CB LYS A 50 26.847 -10.686 8.181 1.00 0.00 C ATOM 384 CG LYS A 50 27.021 -9.223 8.589 1.00 0.00 C ATOM 385 CD LYS A 50 28.378 -9.043 9.271 1.00 0.00 C ATOM 386 CE LYS A 50 28.599 -7.563 9.588 1.00 0.00 C ATOM 387 NZ LYS A 50 27.573 -7.103 10.567 1.00 0.00 N ATOM 0 H LYS A 50 25.150 -9.116 6.347 1.00 0.00 H new ATOM 0 HA LYS A 50 25.376 -11.907 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.885 -11.327 9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 50 27.664 -10.993 7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.954 -8.579 7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 50 26.220 -8.925 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.417 -9.632 10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 50 29.174 -9.410 8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.599 -7.413 9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.536 -6.972 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.881 -6.208 10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.667 -6.957 10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 27.454 -7.822 11.309 1.00 0.00 H new ATOM 401 N LYS A 51 23.969 -11.328 9.275 1.00 0.00 N ATOM 402 CA LYS A 51 22.888 -11.024 10.207 1.00 0.00 C ATOM 403 C LYS A 51 23.228 -9.780 11.026 1.00 0.00 C ATOM 404 O LYS A 51 24.316 -9.677 11.593 1.00 0.00 O ATOM 405 CB LYS A 51 22.661 -12.211 11.147 1.00 0.00 C ATOM 406 CG LYS A 51 21.457 -11.930 12.050 1.00 0.00 C ATOM 407 CD LYS A 51 21.213 -13.130 12.966 1.00 0.00 C ATOM 408 CE LYS A 51 19.965 -12.880 13.815 1.00 0.00 C ATOM 409 NZ LYS A 51 20.184 -11.690 14.685 1.00 0.00 N ATOM 0 H LYS A 51 24.366 -12.263 9.370 1.00 0.00 H new ATOM 0 HA LYS A 51 21.979 -10.835 9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.490 -13.118 10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.550 -12.383 11.753 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.637 -11.035 12.646 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.572 -11.736 11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.086 -14.035 12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.078 -13.291 13.610 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.101 -12.718 13.171 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.747 -13.756 14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.491 -11.695 15.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.146 -11.721 15.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.068 -10.823 14.123 1.00 0.00 H new ATOM 423 N GLY A 52 22.292 -8.838 11.075 1.00 0.00 N ATOM 424 CA GLY A 52 22.497 -7.597 11.818 1.00 0.00 C ATOM 425 C GLY A 52 22.936 -6.460 10.893 1.00 0.00 C ATOM 426 O GLY A 52 22.865 -5.288 11.264 1.00 0.00 O ATOM 0 H GLY A 52 21.386 -8.908 10.611 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.574 -7.319 12.327 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.251 -7.753 12.589 1.00 0.00 H new ATOM 430 N ASP A 53 23.380 -6.809 9.687 1.00 0.00 N ATOM 431 CA ASP A 53 23.817 -5.804 8.723 1.00 0.00 C ATOM 432 C ASP A 53 22.616 -5.026 8.186 1.00 0.00 C ATOM 433 O ASP A 53 21.525 -5.578 8.045 1.00 0.00 O ATOM 434 CB ASP A 53 24.557 -6.479 7.568 1.00 0.00 C ATOM 435 CG ASP A 53 25.474 -5.475 6.877 1.00 0.00 C ATOM 436 OD1 ASP A 53 25.317 -4.292 7.126 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.327 -5.907 6.119 1.00 0.00 O ATOM 0 H ASP A 53 23.446 -7.772 9.357 1.00 0.00 H new ATOM 0 HA ASP A 53 24.491 -5.108 9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 53 25.141 -7.320 7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 53 23.840 -6.882 6.852 1.00 0.00 H new ATOM 442 N ILE A 54 22.823 -3.747 7.892 1.00 0.00 N ATOM 443 CA ILE A 54 21.743 -2.910 7.376 1.00 0.00 C ATOM 444 C ILE A 54 22.052 -2.468 5.946 1.00 0.00 C ATOM 445 O ILE A 54 23.137 -1.958 5.661 1.00 0.00 O ATOM 446 CB ILE A 54 21.558 -1.679 8.267 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.319 -2.113 9.728 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.374 -0.847 7.765 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.088 -3.021 9.842 1.00 0.00 C ATOM 0 H ILE A 54 23.718 -3.270 8.000 1.00 0.00 H new ATOM 0 HA ILE A 54 20.822 -3.494 7.376 1.00 0.00 H new ATOM 0 HB ILE A 54 22.462 -1.072 8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.198 -2.638 10.103 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.183 -1.231 10.355 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.247 0.028 8.403 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.564 -0.525 6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.467 -1.451 7.793 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.945 -3.311 10.883 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.207 -2.485 9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.237 -3.913 9.234 1.00 0.00 H new ATOM 461 N ILE A 55 21.091 -2.674 5.053 1.00 0.00 N ATOM 462 CA ILE A 55 21.261 -2.303 3.653 1.00 0.00 C ATOM 463 C ILE A 55 20.224 -1.272 3.236 1.00 0.00 C ATOM 464 O ILE A 55 19.030 -1.448 3.478 1.00 0.00 O ATOM 465 CB ILE A 55 21.141 -3.540 2.768 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.237 -4.531 3.153 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.311 -3.136 1.304 1.00 0.00 C ATOM 468 CD1 ILE A 55 22.007 -5.859 2.433 1.00 0.00 C ATOM 0 H ILE A 55 20.188 -3.095 5.272 1.00 0.00 H new ATOM 0 HA ILE A 55 22.252 -1.866 3.534 1.00 0.00 H new ATOM 0 HB ILE A 55 20.162 -4.000 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.215 -4.128 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.237 -4.687 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.225 -4.019 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.537 -2.418 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.292 -2.682 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.791 -6.564 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.037 -6.265 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 55 22.029 -5.697 1.355 1.00 0.00 H new ATOM 480 N ASP A 56 20.678 -0.195 2.608 1.00 0.00 N ATOM 481 CA ASP A 56 19.755 0.845 2.169 1.00 0.00 C ATOM 482 C ASP A 56 18.987 0.382 0.936 1.00 0.00 C ATOM 483 O ASP A 56 19.586 -0.065 -0.040 1.00 0.00 O ATOM 484 CB ASP A 56 20.526 2.127 1.851 1.00 0.00 C ATOM 485 CG ASP A 56 21.014 2.768 3.145 1.00 0.00 C ATOM 486 OD1 ASP A 56 20.530 2.378 4.195 1.00 0.00 O ATOM 487 OD2 ASP A 56 21.867 3.636 3.068 1.00 0.00 O ATOM 0 H ASP A 56 21.660 -0.019 2.394 1.00 0.00 H new ATOM 0 HA ASP A 56 19.045 1.045 2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.373 1.902 1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 56 19.886 2.823 1.308 1.00 0.00 H new ATOM 492 N ILE A 57 17.660 0.488 0.987 1.00 0.00 N ATOM 493 CA ILE A 57 16.828 0.066 -0.139 1.00 0.00 C ATOM 494 C ILE A 57 16.925 1.070 -1.280 1.00 0.00 C ATOM 495 O ILE A 57 16.619 2.251 -1.110 1.00 0.00 O ATOM 496 CB ILE A 57 15.367 -0.056 0.306 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.246 -1.147 1.373 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.492 -0.424 -0.895 1.00 0.00 C ATOM 499 CD1 ILE A 57 13.850 -1.100 1.994 1.00 0.00 C ATOM 0 H ILE A 57 17.143 0.857 1.785 1.00 0.00 H new ATOM 0 HA ILE A 57 17.186 -0.903 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 57 15.036 0.897 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.425 -2.126 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.003 -1.003 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.453 -0.510 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.574 0.352 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.824 -1.376 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.763 -1.877 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.688 -0.124 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.101 -1.265 1.219 1.00 0.00 H new ATOM 511 N ILE A 58 17.355 0.591 -2.443 1.00 0.00 N ATOM 512 CA ILE A 58 17.490 1.454 -3.609 1.00 0.00 C ATOM 513 C ILE A 58 16.490 1.054 -4.695 1.00 0.00 C ATOM 514 O ILE A 58 15.959 1.905 -5.408 1.00 0.00 O ATOM 515 CB ILE A 58 18.930 1.381 -4.147 1.00 0.00 C ATOM 516 CG1 ILE A 58 19.218 2.629 -4.986 1.00 0.00 C ATOM 517 CG2 ILE A 58 19.122 0.129 -5.008 1.00 0.00 C ATOM 518 CD1 ILE A 58 20.708 2.689 -5.332 1.00 0.00 C ATOM 0 H ILE A 58 17.614 -0.383 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 58 17.274 2.481 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 58 19.619 1.331 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.624 2.609 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.927 3.524 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.146 0.096 -5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.925 -0.759 -4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.432 0.158 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.907 3.579 -5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.293 2.730 -4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.986 1.801 -5.900 1.00 0.00 H new ATOM 530 N CYS A 59 16.246 -0.248 -4.815 1.00 0.00 N ATOM 531 CA CYS A 59 15.316 -0.759 -5.812 1.00 0.00 C ATOM 532 C CYS A 59 14.615 -2.011 -5.299 1.00 0.00 C ATOM 533 O CYS A 59 15.163 -2.746 -4.478 1.00 0.00 O ATOM 534 CB CYS A 59 16.070 -1.073 -7.105 1.00 0.00 C ATOM 535 SG CYS A 59 16.657 0.470 -7.847 1.00 0.00 S ATOM 0 H CYS A 59 16.680 -0.966 -4.234 1.00 0.00 H new ATOM 0 HA CYS A 59 14.560 0.001 -6.010 1.00 0.00 H new ATOM 0 HB2 CYS A 59 16.912 -1.733 -6.897 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.417 -1.599 -7.801 1.00 0.00 H new ATOM 0 HG CYS A 59 16.331 1.470 -7.083 1.00 0.00 H new ATOM 541 N LYS A 60 13.406 -2.248 -5.788 1.00 0.00 N ATOM 542 CA LYS A 60 12.645 -3.416 -5.374 1.00 0.00 C ATOM 543 C LYS A 60 11.993 -4.073 -6.579 1.00 0.00 C ATOM 544 O LYS A 60 11.753 -3.415 -7.592 1.00 0.00 O ATOM 545 CB LYS A 60 11.570 -3.010 -4.373 1.00 0.00 C ATOM 546 CG LYS A 60 12.241 -2.444 -3.124 1.00 0.00 C ATOM 547 CD LYS A 60 11.179 -1.914 -2.163 1.00 0.00 C ATOM 548 CE LYS A 60 10.359 -3.080 -1.608 1.00 0.00 C ATOM 549 NZ LYS A 60 9.394 -2.569 -0.596 1.00 0.00 N ATOM 0 H LYS A 60 12.934 -1.651 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 60 13.326 -4.126 -4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.907 -2.266 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.954 -3.871 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.833 -3.218 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.928 -1.644 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.653 -1.369 -1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.526 -1.211 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.825 -3.580 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.019 -3.820 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.836 -3.361 -0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.914 -2.111 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.757 -1.878 -1.042 1.00 0.00 H new ATOM 563 N THR A 61 11.696 -5.362 -6.468 1.00 0.00 N ATOM 564 CA THR A 61 11.057 -6.070 -7.571 1.00 0.00 C ATOM 565 C THR A 61 9.860 -6.885 -7.072 1.00 0.00 C ATOM 566 O THR A 61 9.805 -7.257 -5.900 1.00 0.00 O ATOM 567 CB THR A 61 12.066 -6.996 -8.256 1.00 0.00 C ATOM 568 OG1 THR A 61 12.563 -7.938 -7.316 1.00 0.00 O ATOM 569 CG2 THR A 61 13.221 -6.169 -8.820 1.00 0.00 C ATOM 0 H THR A 61 11.883 -5.930 -5.642 1.00 0.00 H new ATOM 0 HA THR A 61 10.700 -5.333 -8.290 1.00 0.00 H new ATOM 0 HB THR A 61 11.574 -7.527 -9.071 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.339 -7.560 -6.853 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.938 -6.830 -9.307 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.835 -5.454 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.714 -5.633 -8.009 1.00 0.00 H new ATOM 577 N PRO A 62 8.903 -7.178 -7.929 1.00 0.00 N ATOM 578 CA PRO A 62 7.700 -7.973 -7.531 1.00 0.00 C ATOM 579 C PRO A 62 8.079 -9.360 -7.017 1.00 0.00 C ATOM 580 O PRO A 62 8.599 -10.182 -7.770 1.00 0.00 O ATOM 581 CB PRO A 62 6.888 -8.096 -8.828 1.00 0.00 C ATOM 582 CG PRO A 62 7.375 -6.998 -9.711 1.00 0.00 C ATOM 583 CD PRO A 62 8.844 -6.792 -9.353 1.00 0.00 C ATOM 0 HA PRO A 62 7.152 -7.494 -6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.039 -9.070 -9.294 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.820 -7.998 -8.633 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.263 -7.264 -10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.802 -6.085 -9.550 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.498 -7.412 -9.966 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.153 -5.758 -9.503 1.00 0.00 H new ATOM 591 N MET A 63 7.795 -9.612 -5.739 1.00 0.00 N ATOM 592 CA MET A 63 8.094 -10.905 -5.126 1.00 0.00 C ATOM 593 C MET A 63 9.483 -11.391 -5.527 1.00 0.00 C ATOM 594 O MET A 63 9.714 -12.595 -5.667 1.00 0.00 O ATOM 595 CB MET A 63 7.049 -11.936 -5.553 1.00 0.00 C ATOM 596 CG MET A 63 5.700 -11.579 -4.926 1.00 0.00 C ATOM 597 SD MET A 63 4.427 -12.694 -5.565 1.00 0.00 S ATOM 598 CE MET A 63 4.998 -14.189 -4.720 1.00 0.00 C ATOM 0 H MET A 63 7.359 -8.938 -5.109 1.00 0.00 H new ATOM 0 HA MET A 63 8.069 -10.783 -4.043 1.00 0.00 H new ATOM 0 HB2 MET A 63 6.964 -11.956 -6.639 1.00 0.00 H new ATOM 0 HB3 MET A 63 7.356 -12.934 -5.239 1.00 0.00 H new ATOM 0 HG2 MET A 63 5.758 -11.660 -3.841 1.00 0.00 H new ATOM 0 HG3 MET A 63 5.442 -10.545 -5.155 1.00 0.00 H new ATOM 0 HE1 MET A 63 4.145 -14.831 -4.501 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.699 -14.724 -5.361 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.494 -13.914 -3.789 1.00 0.00 H new ATOM 608 N GLY A 64 10.402 -10.452 -5.718 1.00 0.00 N ATOM 609 CA GLY A 64 11.759 -10.800 -6.111 1.00 0.00 C ATOM 610 C GLY A 64 12.771 -10.263 -5.113 1.00 0.00 C ATOM 611 O GLY A 64 12.422 -9.543 -4.178 1.00 0.00 O ATOM 0 H GLY A 64 10.233 -9.452 -5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.854 -11.883 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.970 -10.395 -7.101 1.00 0.00 H new ATOM 615 N MET A 65 14.027 -10.631 -5.312 1.00 0.00 N ATOM 616 CA MET A 65 15.086 -10.197 -4.417 1.00 0.00 C ATOM 617 C MET A 65 15.180 -8.674 -4.402 1.00 0.00 C ATOM 618 O MET A 65 14.866 -8.012 -5.393 1.00 0.00 O ATOM 619 CB MET A 65 16.416 -10.809 -4.857 1.00 0.00 C ATOM 620 CG MET A 65 16.943 -10.073 -6.088 1.00 0.00 C ATOM 621 SD MET A 65 18.180 -11.105 -6.918 1.00 0.00 S ATOM 622 CE MET A 65 19.191 -11.491 -5.465 1.00 0.00 C ATOM 0 H MET A 65 14.336 -11.226 -6.081 1.00 0.00 H new ATOM 0 HA MET A 65 14.857 -10.535 -3.406 1.00 0.00 H new ATOM 0 HB2 MET A 65 17.142 -10.746 -4.046 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.283 -11.867 -5.084 1.00 0.00 H new ATOM 0 HG2 MET A 65 16.123 -9.848 -6.770 1.00 0.00 H new ATOM 0 HG3 MET A 65 17.384 -9.120 -5.795 1.00 0.00 H new ATOM 0 HE1 MET A 65 20.224 -11.655 -5.773 1.00 0.00 H new ATOM 0 HE2 MET A 65 19.150 -10.659 -4.762 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.808 -12.391 -4.984 1.00 0.00 H new ATOM 632 N TRP A 66 15.599 -8.131 -3.265 1.00 0.00 N ATOM 633 CA TRP A 66 15.721 -6.685 -3.110 1.00 0.00 C ATOM 634 C TRP A 66 17.140 -6.223 -3.409 1.00 0.00 C ATOM 635 O TRP A 66 18.109 -6.960 -3.214 1.00 0.00 O ATOM 636 CB TRP A 66 15.326 -6.262 -1.690 1.00 0.00 C ATOM 637 CG TRP A 66 13.843 -6.407 -1.497 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.968 -6.880 -2.419 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.049 -6.070 -0.321 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.694 -6.864 -1.878 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.692 -6.370 -0.588 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.376 -5.540 0.939 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.694 -6.152 0.366 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.375 -5.319 1.898 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.038 -5.624 1.612 1.00 0.00 C ATOM 0 H TRP A 66 15.860 -8.668 -2.438 1.00 0.00 H new ATOM 0 HA TRP A 66 15.045 -6.214 -3.823 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.856 -6.874 -0.960 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.623 -5.228 -1.515 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.224 -7.215 -3.413 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.859 -7.179 -2.372 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.403 -5.301 1.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.665 -6.390 0.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.637 -4.911 2.863 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.274 -5.451 2.355 1.00 0.00 H new ATOM 656 N THR A 67 17.245 -4.992 -3.890 1.00 0.00 N ATOM 657 CA THR A 67 18.538 -4.417 -4.230 1.00 0.00 C ATOM 658 C THR A 67 18.808 -3.184 -3.383 1.00 0.00 C ATOM 659 O THR A 67 17.896 -2.409 -3.086 1.00 0.00 O ATOM 660 CB THR A 67 18.577 -4.044 -5.708 1.00 0.00 C ATOM 661 OG1 THR A 67 18.309 -5.197 -6.493 1.00 0.00 O ATOM 662 CG2 THR A 67 19.966 -3.501 -6.056 1.00 0.00 C ATOM 0 H THR A 67 16.451 -4.373 -4.053 1.00 0.00 H new ATOM 0 HA THR A 67 19.309 -5.161 -4.029 1.00 0.00 H new ATOM 0 HB THR A 67 17.825 -3.282 -5.914 1.00 0.00 H new ATOM 0 HG1 THR A 67 19.057 -5.825 -6.417 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.998 -3.233 -7.112 1.00 0.00 H new ATOM 0 HG22 THR A 67 20.174 -2.618 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.717 -4.265 -5.853 1.00 0.00 H new ATOM 670 N GLY A 68 20.061 -2.998 -2.992 1.00 0.00 N ATOM 671 CA GLY A 68 20.408 -1.847 -2.175 1.00 0.00 C ATOM 672 C GLY A 68 21.910 -1.614 -2.142 1.00 0.00 C ATOM 673 O GLY A 68 22.665 -2.214 -2.910 1.00 0.00 O ATOM 0 H GLY A 68 20.839 -3.616 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.910 -0.960 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.040 -1.997 -1.160 1.00 0.00 H new ATOM 677 N MET A 69 22.333 -0.738 -1.237 1.00 0.00 N ATOM 678 CA MET A 69 23.750 -0.428 -1.086 1.00 0.00 C ATOM 679 C MET A 69 24.253 -0.884 0.282 1.00 0.00 C ATOM 680 O MET A 69 23.590 -0.676 1.306 1.00 0.00 O ATOM 681 CB MET A 69 24.001 1.074 -1.247 1.00 0.00 C ATOM 682 CG MET A 69 25.505 1.346 -1.126 1.00 0.00 C ATOM 683 SD MET A 69 25.820 3.119 -1.315 1.00 0.00 S ATOM 684 CE MET A 69 25.513 3.214 -3.095 1.00 0.00 C ATOM 0 H MET A 69 21.718 -0.232 -0.600 1.00 0.00 H new ATOM 0 HA MET A 69 24.293 -0.961 -1.866 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.634 1.415 -2.215 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.456 1.630 -0.485 1.00 0.00 H new ATOM 0 HG2 MET A 69 25.870 1.003 -0.158 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.048 0.787 -1.888 1.00 0.00 H new ATOM 0 HE1 MET A 69 25.806 4.197 -3.463 1.00 0.00 H new ATOM 0 HE2 MET A 69 26.095 2.447 -3.606 1.00 0.00 H new ATOM 0 HE3 MET A 69 24.453 3.055 -3.290 1.00 0.00 H new ATOM 694 N LEU A 70 25.429 -1.509 0.281 1.00 0.00 N ATOM 695 CA LEU A 70 26.043 -2.006 1.510 1.00 0.00 C ATOM 696 C LEU A 70 27.537 -1.684 1.533 1.00 0.00 C ATOM 697 O LEU A 70 28.306 -2.228 0.740 1.00 0.00 O ATOM 698 CB LEU A 70 25.872 -3.528 1.602 1.00 0.00 C ATOM 699 CG LEU A 70 25.895 -3.971 3.075 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.447 -5.436 3.184 1.00 0.00 C ATOM 701 CD2 LEU A 70 27.313 -3.820 3.657 1.00 0.00 C ATOM 0 H LEU A 70 25.977 -1.684 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 70 25.552 -1.520 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.931 -3.825 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 70 26.670 -4.026 1.051 1.00 0.00 H new ATOM 0 HG LEU A 70 25.211 -3.339 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.465 -5.745 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.435 -5.537 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.123 -6.067 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 70 27.314 -4.137 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 70 28.007 -4.439 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.623 -2.777 3.595 1.00 0.00 H new ATOM 713 N ASN A 71 27.949 -0.822 2.456 1.00 0.00 N ATOM 714 CA ASN A 71 29.361 -0.474 2.572 1.00 0.00 C ATOM 715 C ASN A 71 29.927 -0.003 1.240 1.00 0.00 C ATOM 716 O ASN A 71 30.951 -0.509 0.780 1.00 0.00 O ATOM 717 CB ASN A 71 30.147 -1.689 3.058 1.00 0.00 C ATOM 718 CG ASN A 71 31.540 -1.265 3.492 1.00 0.00 C ATOM 719 OD1 ASN A 71 31.722 -0.168 4.023 1.00 0.00 O ATOM 720 ND2 ASN A 71 32.540 -2.073 3.292 1.00 0.00 N ATOM 0 H ASN A 71 27.336 -0.357 3.126 1.00 0.00 H new ATOM 0 HA ASN A 71 29.452 0.342 3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 71 29.625 -2.161 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 71 30.215 -2.431 2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 71 33.481 -1.800 3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 71 32.383 -2.980 2.852 1.00 0.00 H new ATOM 727 N ASN A 72 29.265 0.967 0.622 1.00 0.00 N ATOM 728 CA ASN A 72 29.724 1.495 -0.654 1.00 0.00 C ATOM 729 C ASN A 72 29.773 0.399 -1.710 1.00 0.00 C ATOM 730 O ASN A 72 30.557 0.467 -2.656 1.00 0.00 O ATOM 731 CB ASN A 72 31.111 2.117 -0.491 1.00 0.00 C ATOM 732 CG ASN A 72 31.383 3.086 -1.635 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.543 3.254 -2.519 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.510 3.741 -1.670 1.00 0.00 N ATOM 0 H ASN A 72 28.415 1.401 0.981 1.00 0.00 H new ATOM 0 HA ASN A 72 29.019 2.259 -0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.175 2.640 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 72 31.870 1.335 -0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.697 4.394 -2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.205 3.600 -0.936 1.00 0.00 H new ATOM 741 N LYS A 73 28.914 -0.601 -1.555 1.00 0.00 N ATOM 742 CA LYS A 73 28.857 -1.693 -2.515 1.00 0.00 C ATOM 743 C LYS A 73 27.406 -2.086 -2.765 1.00 0.00 C ATOM 744 O LYS A 73 26.722 -2.557 -1.861 1.00 0.00 O ATOM 745 CB LYS A 73 29.649 -2.891 -1.989 1.00 0.00 C ATOM 746 CG LYS A 73 29.766 -3.945 -3.088 1.00 0.00 C ATOM 747 CD LYS A 73 30.775 -5.015 -2.664 1.00 0.00 C ATOM 748 CE LYS A 73 30.226 -5.790 -1.465 1.00 0.00 C ATOM 749 NZ LYS A 73 31.182 -6.870 -1.091 1.00 0.00 N ATOM 0 H LYS A 73 28.254 -0.678 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 73 29.300 -1.367 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.641 -2.573 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 73 29.152 -3.314 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 73 28.794 -4.401 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 73 30.084 -3.479 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 73 30.968 -5.696 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 73 31.726 -4.550 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 73 30.074 -5.116 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 73 29.254 -6.219 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 30.809 -7.397 -0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 31.306 -7.518 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 32.100 -6.450 -0.841 1.00 0.00 H new ATOM 763 N VAL A 74 26.940 -1.897 -3.993 1.00 0.00 N ATOM 764 CA VAL A 74 25.562 -2.239 -4.326 1.00 0.00 C ATOM 765 C VAL A 74 25.477 -3.660 -4.860 1.00 0.00 C ATOM 766 O VAL A 74 26.362 -4.114 -5.586 1.00 0.00 O ATOM 767 CB VAL A 74 25.012 -1.265 -5.373 1.00 0.00 C ATOM 768 CG1 VAL A 74 24.874 0.126 -4.753 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.966 -1.197 -6.568 1.00 0.00 C ATOM 0 H VAL A 74 27.486 -1.515 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 74 24.965 -2.166 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 74 24.036 -1.613 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 74 24.483 0.819 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 74 24.190 0.080 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 74 25.850 0.472 -4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.571 -0.503 -7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 74 26.944 -0.852 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 74 26.063 -2.187 -7.013 1.00 0.00 H new ATOM 779 N GLY A 75 24.415 -4.366 -4.488 1.00 0.00 N ATOM 780 CA GLY A 75 24.240 -5.739 -4.932 1.00 0.00 C ATOM 781 C GLY A 75 22.814 -6.212 -4.673 1.00 0.00 C ATOM 782 O GLY A 75 21.986 -5.473 -4.125 1.00 0.00 O ATOM 0 H GLY A 75 23.671 -4.013 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 75 24.466 -5.814 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.944 -6.388 -4.410 1.00 0.00 H new ATOM 786 N ASN A 76 22.532 -7.443 -5.087 1.00 0.00 N ATOM 787 CA ASN A 76 21.204 -8.013 -4.914 1.00 0.00 C ATOM 788 C ASN A 76 21.220 -9.088 -3.830 1.00 0.00 C ATOM 789 O ASN A 76 22.191 -9.830 -3.690 1.00 0.00 O ATOM 790 CB ASN A 76 20.735 -8.633 -6.230 1.00 0.00 C ATOM 791 CG ASN A 76 20.738 -7.581 -7.333 1.00 0.00 C ATOM 792 OD1 ASN A 76 20.405 -6.423 -7.090 1.00 0.00 O ATOM 793 ND2 ASN A 76 21.096 -7.920 -8.542 1.00 0.00 N ATOM 0 H ASN A 76 23.203 -8.061 -5.543 1.00 0.00 H new ATOM 0 HA ASN A 76 20.522 -7.217 -4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 76 21.388 -9.461 -6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.732 -9.044 -6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 76 21.100 -7.223 -9.287 1.00 0.00 H new ATOM 0 HD22 ASN A 76 21.372 -8.881 -8.741 1.00 0.00 H new ATOM 800 N PHE A 77 20.130 -9.172 -3.073 1.00 0.00 N ATOM 801 CA PHE A 77 20.025 -10.167 -2.012 1.00 0.00 C ATOM 802 C PHE A 77 18.578 -10.614 -1.832 1.00 0.00 C ATOM 803 O PHE A 77 17.644 -9.837 -2.029 1.00 0.00 O ATOM 804 CB PHE A 77 20.571 -9.583 -0.707 1.00 0.00 C ATOM 805 CG PHE A 77 19.930 -8.240 -0.461 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.745 -8.149 0.273 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.523 -7.086 -0.982 1.00 0.00 C ATOM 808 CE1 PHE A 77 18.153 -6.896 0.487 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.934 -5.836 -0.767 1.00 0.00 C ATOM 810 CZ PHE A 77 18.748 -5.742 -0.033 1.00 0.00 C ATOM 0 H PHE A 77 19.314 -8.569 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 77 20.615 -11.041 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.362 -10.257 0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.654 -9.477 -0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.286 -9.041 0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 77 21.438 -7.160 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.237 -6.822 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.395 -4.945 -1.167 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.291 -4.778 0.133 1.00 0.00 H new ATOM 820 N LYS A 78 18.399 -11.879 -1.462 1.00 0.00 N ATOM 821 CA LYS A 78 17.062 -12.425 -1.278 1.00 0.00 C ATOM 822 C LYS A 78 16.300 -11.619 -0.238 1.00 0.00 C ATOM 823 O LYS A 78 16.735 -11.495 0.907 1.00 0.00 O ATOM 824 CB LYS A 78 17.156 -13.884 -0.827 1.00 0.00 C ATOM 825 CG LYS A 78 15.823 -14.595 -1.077 1.00 0.00 C ATOM 826 CD LYS A 78 15.727 -14.988 -2.552 1.00 0.00 C ATOM 827 CE LYS A 78 14.514 -15.896 -2.764 1.00 0.00 C ATOM 828 NZ LYS A 78 14.771 -17.222 -2.133 1.00 0.00 N ATOM 0 H LYS A 78 19.157 -12.539 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 78 16.529 -12.371 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.955 -14.390 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.410 -13.931 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.747 -15.481 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.993 -13.941 -0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.638 -14.095 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.637 -15.502 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.624 -15.440 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.320 -16.019 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.078 -17.914 -2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.731 -17.541 -2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.683 -17.138 -1.100 1.00 0.00 H new ATOM 842 N PHE A 79 15.165 -11.071 -0.648 1.00 0.00 N ATOM 843 CA PHE A 79 14.348 -10.273 0.252 1.00 0.00 C ATOM 844 C PHE A 79 13.878 -11.110 1.434 1.00 0.00 C ATOM 845 O PHE A 79 13.592 -10.585 2.505 1.00 0.00 O ATOM 846 CB PHE A 79 13.148 -9.699 -0.503 1.00 0.00 C ATOM 847 CG PHE A 79 12.191 -10.809 -0.857 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.158 -11.156 0.021 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.334 -11.488 -2.073 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.268 -12.182 -0.318 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.446 -12.513 -2.411 1.00 0.00 C ATOM 852 CZ PHE A 79 10.412 -12.861 -1.535 1.00 0.00 C ATOM 0 H PHE A 79 14.791 -11.164 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 79 14.952 -9.450 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.643 -8.953 0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.484 -9.193 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.048 -10.633 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.131 -11.220 -2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.470 -12.450 0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.558 -13.037 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.725 -13.652 -1.797 1.00 0.00 H new ATOM 862 N ILE A 80 13.797 -12.414 1.239 1.00 0.00 N ATOM 863 CA ILE A 80 13.364 -13.302 2.305 1.00 0.00 C ATOM 864 C ILE A 80 14.357 -13.270 3.464 1.00 0.00 C ATOM 865 O ILE A 80 13.969 -13.317 4.630 1.00 0.00 O ATOM 866 CB ILE A 80 13.246 -14.725 1.769 1.00 0.00 C ATOM 867 CG1 ILE A 80 12.095 -14.775 0.767 1.00 0.00 C ATOM 868 CG2 ILE A 80 12.962 -15.689 2.924 1.00 0.00 C ATOM 869 CD1 ILE A 80 12.141 -16.095 0.002 1.00 0.00 C ATOM 0 H ILE A 80 14.023 -12.880 0.360 1.00 0.00 H new ATOM 0 HA ILE A 80 12.393 -12.966 2.668 1.00 0.00 H new ATOM 0 HB ILE A 80 14.177 -15.017 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.142 -14.677 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.167 -13.938 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.878 -16.705 2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 80 13.777 -15.641 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 80 12.028 -15.408 3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.319 -16.130 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.089 -16.174 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.048 -16.925 0.702 1.00 0.00 H new ATOM 881 N TYR A 81 15.640 -13.210 3.123 1.00 0.00 N ATOM 882 CA TYR A 81 16.703 -13.192 4.126 1.00 0.00 C ATOM 883 C TYR A 81 16.838 -11.810 4.772 1.00 0.00 C ATOM 884 O TYR A 81 17.661 -11.614 5.674 1.00 0.00 O ATOM 885 CB TYR A 81 18.033 -13.594 3.468 1.00 0.00 C ATOM 886 CG TYR A 81 17.997 -15.047 2.999 1.00 0.00 C ATOM 887 CD1 TYR A 81 16.875 -15.867 3.236 1.00 0.00 C ATOM 888 CD2 TYR A 81 19.101 -15.573 2.312 1.00 0.00 C ATOM 889 CE1 TYR A 81 16.866 -17.192 2.789 1.00 0.00 C ATOM 890 CE2 TYR A 81 19.088 -16.902 1.867 1.00 0.00 C ATOM 891 CZ TYR A 81 17.971 -17.710 2.105 1.00 0.00 C ATOM 892 OH TYR A 81 17.959 -19.019 1.666 1.00 0.00 O ATOM 0 H TYR A 81 15.971 -13.173 2.159 1.00 0.00 H new ATOM 0 HA TYR A 81 16.447 -13.904 4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.235 -12.940 2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.849 -13.458 4.177 1.00 0.00 H new ATOM 0 HD1 TYR A 81 16.020 -15.471 3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.964 -14.952 2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 81 16.004 -17.817 2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.941 -17.303 1.340 1.00 0.00 H new ATOM 0 HH TYR A 81 18.803 -19.219 1.209 1.00 0.00 H new ATOM 902 N VAL A 82 16.026 -10.856 4.317 1.00 0.00 N ATOM 903 CA VAL A 82 16.063 -9.508 4.863 1.00 0.00 C ATOM 904 C VAL A 82 14.658 -9.075 5.261 1.00 0.00 C ATOM 905 O VAL A 82 13.670 -9.654 4.814 1.00 0.00 O ATOM 906 CB VAL A 82 16.616 -8.538 3.819 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.462 -7.906 3.034 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.424 -7.447 4.521 1.00 0.00 C ATOM 0 H VAL A 82 15.339 -10.995 3.575 1.00 0.00 H new ATOM 0 HA VAL A 82 16.709 -9.500 5.741 1.00 0.00 H new ATOM 0 HB VAL A 82 17.261 -9.079 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.862 -7.216 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.892 -8.688 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.810 -7.364 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 82 17.820 -6.753 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.780 -6.907 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.249 -7.901 5.070 1.00 0.00 H new ATOM 918 N ASP A 83 14.571 -8.056 6.100 1.00 0.00 N ATOM 919 CA ASP A 83 13.278 -7.561 6.539 1.00 0.00 C ATOM 920 C ASP A 83 13.213 -6.050 6.363 1.00 0.00 C ATOM 921 O ASP A 83 14.204 -5.352 6.554 1.00 0.00 O ATOM 922 CB ASP A 83 13.042 -7.926 8.006 1.00 0.00 C ATOM 923 CG ASP A 83 11.570 -7.728 8.360 1.00 0.00 C ATOM 924 OD1 ASP A 83 10.813 -7.363 7.478 1.00 0.00 O ATOM 925 OD2 ASP A 83 11.223 -7.947 9.508 1.00 0.00 O ATOM 0 H ASP A 83 15.373 -7.559 6.488 1.00 0.00 H new ATOM 0 HA ASP A 83 12.500 -8.024 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.332 -8.962 8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.666 -7.306 8.649 1.00 0.00 H new ATOM 930 N VAL A 84 12.041 -5.555 5.997 1.00 0.00 N ATOM 931 CA VAL A 84 11.865 -4.119 5.797 1.00 0.00 C ATOM 932 C VAL A 84 11.561 -3.424 7.121 1.00 0.00 C ATOM 933 O VAL A 84 10.567 -3.729 7.780 1.00 0.00 O ATOM 934 CB VAL A 84 10.736 -3.842 4.785 1.00 0.00 C ATOM 935 CG1 VAL A 84 9.527 -4.749 5.055 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.304 -2.377 4.902 1.00 0.00 C ATOM 0 H VAL A 84 11.205 -6.116 5.833 1.00 0.00 H new ATOM 0 HA VAL A 84 12.797 -3.719 5.397 1.00 0.00 H new ATOM 0 HB VAL A 84 11.108 -4.047 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.743 -4.536 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.829 -5.793 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.150 -4.563 6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.505 -2.175 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.945 -2.183 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.154 -1.729 4.688 1.00 0.00 H new ATOM 946 N ILE A 85 12.429 -2.488 7.506 1.00 0.00 N ATOM 947 CA ILE A 85 12.246 -1.756 8.755 1.00 0.00 C ATOM 948 C ILE A 85 12.310 -0.249 8.514 1.00 0.00 C ATOM 949 O ILE A 85 12.863 0.210 7.513 1.00 0.00 O ATOM 950 CB ILE A 85 13.313 -2.168 9.781 1.00 0.00 C ATOM 951 CG1 ILE A 85 14.716 -1.874 9.234 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.192 -3.666 10.063 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.739 -1.960 10.369 1.00 0.00 C ATOM 0 H ILE A 85 13.258 -2.222 6.975 1.00 0.00 H new ATOM 0 HA ILE A 85 11.261 -2.004 9.150 1.00 0.00 H new ATOM 0 HB ILE A 85 13.159 -1.600 10.699 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.968 -2.587 8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.741 -0.882 8.783 1.00 0.00 H new ATOM 0 HG21 ILE A 85 13.948 -3.961 10.791 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.201 -3.882 10.461 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.341 -4.224 9.138 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.735 -1.751 9.978 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.491 -1.229 11.139 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.721 -2.961 10.800 1.00 0.00 H new ATOM 965 N SER A 86 11.744 0.518 9.442 1.00 0.00 N ATOM 966 CA SER A 86 11.748 1.972 9.323 1.00 0.00 C ATOM 967 C SER A 86 12.658 2.585 10.381 1.00 0.00 C ATOM 968 O SER A 86 12.528 2.292 11.569 1.00 0.00 O ATOM 969 CB SER A 86 10.330 2.521 9.486 1.00 0.00 C ATOM 970 OG SER A 86 10.374 3.943 9.467 1.00 0.00 O ATOM 0 H SER A 86 11.281 0.160 10.277 1.00 0.00 H new ATOM 0 HA SER A 86 12.121 2.236 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.691 2.154 8.683 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.897 2.171 10.423 1.00 0.00 H new ATOM 0 HG SER A 86 9.467 4.300 9.569 1.00 0.00 H new ATOM 976 N GLU A 87 13.583 3.431 9.942 1.00 0.00 N ATOM 977 CA GLU A 87 14.515 4.072 10.861 1.00 0.00 C ATOM 978 C GLU A 87 15.241 3.026 11.701 1.00 0.00 C ATOM 979 O GLU A 87 15.165 3.112 12.915 1.00 0.00 O ATOM 980 CB GLU A 87 13.767 5.037 11.783 1.00 0.00 C ATOM 981 CG GLU A 87 13.329 6.269 10.987 1.00 0.00 C ATOM 982 CD GLU A 87 12.419 7.145 11.842 1.00 0.00 C ATOM 983 OE1 GLU A 87 11.899 6.642 12.824 1.00 0.00 O ATOM 984 OE2 GLU A 87 12.265 8.307 11.506 1.00 0.00 O ATOM 0 H GLU A 87 13.707 3.687 8.963 1.00 0.00 H new ATOM 0 HA GLU A 87 15.247 4.627 10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.897 4.543 12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.409 5.336 12.612 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.203 6.838 10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.805 5.960 10.082 1.00 0.00 H new