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 -79:sc= 1.21 USER MOD Set 1.2: A 76 ASN : amide:sc= 1.03 K(o=2.2,f=-4.3!) USER MOD Single : A 28 CYS SG : rot 24:sc= 0.0961 USER MOD Single : A 34 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-4.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 36:sc= 0.0139 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc=-0.00225 (180deg=-0.387) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.236 USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0.61 (180deg=0.204) USER MOD Single : A 61 THR OG1 : rot 94:sc= 0.0244 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 174:sc= -1.17 (180deg=-1.26) USER MOD Single : A 69 MET CE :methyl 157:sc= -0.0756 (180deg=-0.772) USER MOD Single : A 71 ASN : amide:sc= -4.95! C(o=-4.9!,f=-9.9!) USER MOD Single : A 72 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.5!) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0297) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 10.355 2.181 0.425 1.00 0.00 N ATOM 42 CA CYS A 28 11.798 2.122 0.603 1.00 0.00 C ATOM 43 C CYS A 28 12.163 2.462 2.042 1.00 0.00 C ATOM 44 O CYS A 28 11.421 3.157 2.736 1.00 0.00 O ATOM 45 CB CYS A 28 12.482 3.109 -0.345 1.00 0.00 C ATOM 46 SG CYS A 28 11.998 4.799 0.090 1.00 0.00 S ATOM 0 HA CYS A 28 12.137 1.111 0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 28 13.565 3.001 -0.280 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.202 2.893 -1.376 1.00 0.00 H new ATOM 0 HG CYS A 28 11.632 4.838 1.337 1.00 0.00 H new ATOM 52 N GLY A 29 13.303 1.953 2.489 1.00 0.00 N ATOM 53 CA GLY A 29 13.749 2.195 3.853 1.00 0.00 C ATOM 54 C GLY A 29 15.068 1.487 4.131 1.00 0.00 C ATOM 55 O GLY A 29 16.049 1.672 3.409 1.00 0.00 O ATOM 0 H GLY A 29 13.931 1.374 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.866 3.266 4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.991 1.847 4.554 1.00 0.00 H new ATOM 59 N ARG A 30 15.085 0.674 5.184 1.00 0.00 N ATOM 60 CA ARG A 30 16.294 -0.055 5.547 1.00 0.00 C ATOM 61 C ARG A 30 15.991 -1.535 5.742 1.00 0.00 C ATOM 62 O ARG A 30 14.948 -1.904 6.283 1.00 0.00 O ATOM 63 CB ARG A 30 16.877 0.524 6.839 1.00 0.00 C ATOM 64 CG ARG A 30 17.209 2.010 6.647 1.00 0.00 C ATOM 65 CD ARG A 30 18.383 2.171 5.677 1.00 0.00 C ATOM 66 NE ARG A 30 18.768 3.579 5.588 1.00 0.00 N ATOM 67 CZ ARG A 30 19.528 4.163 6.514 1.00 0.00 C ATOM 68 NH1 ARG A 30 19.950 3.493 7.556 1.00 0.00 N ATOM 69 NH2 ARG A 30 19.852 5.420 6.379 1.00 0.00 N ATOM 0 H ARG A 30 14.285 0.505 5.794 1.00 0.00 H new ATOM 0 HA ARG A 30 17.018 0.049 4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.164 0.405 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.776 -0.024 7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.336 2.538 6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.458 2.461 7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.230 1.574 6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.105 1.798 4.691 1.00 0.00 H new ATOM 0 HE ARG A 30 18.445 4.131 4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.698 2.511 7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.531 3.953 8.257 1.00 0.00 H new ATOM 0 HH21 ARG A 30 19.524 5.947 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.433 5.875 7.083 1.00 0.00 H new ATOM 83 N ALA A 31 16.917 -2.379 5.305 1.00 0.00 N ATOM 84 CA ALA A 31 16.748 -3.818 5.435 1.00 0.00 C ATOM 85 C ALA A 31 17.679 -4.365 6.510 1.00 0.00 C ATOM 86 O ALA A 31 18.900 -4.259 6.402 1.00 0.00 O ATOM 87 CB ALA A 31 17.046 -4.496 4.096 1.00 0.00 C ATOM 0 H ALA A 31 17.789 -2.092 4.860 1.00 0.00 H new ATOM 0 HA ALA A 31 15.718 -4.027 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.918 -5.574 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.360 -4.119 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.072 -4.279 3.798 1.00 0.00 H new ATOM 93 N ARG A 32 17.089 -4.948 7.544 1.00 0.00 N ATOM 94 CA ARG A 32 17.859 -5.509 8.639 1.00 0.00 C ATOM 95 C ARG A 32 18.007 -7.011 8.454 1.00 0.00 C ATOM 96 O ARG A 32 17.015 -7.728 8.310 1.00 0.00 O ATOM 97 CB ARG A 32 17.154 -5.214 9.960 1.00 0.00 C ATOM 98 CG ARG A 32 18.086 -5.538 11.125 1.00 0.00 C ATOM 99 CD ARG A 32 17.460 -5.029 12.423 1.00 0.00 C ATOM 100 NE ARG A 32 18.379 -5.243 13.538 1.00 0.00 N ATOM 101 CZ ARG A 32 18.142 -4.747 14.754 1.00 0.00 C ATOM 102 NH1 ARG A 32 17.063 -4.048 14.997 1.00 0.00 N ATOM 103 NH2 ARG A 32 19.002 -4.961 15.712 1.00 0.00 N ATOM 0 H ARG A 32 16.079 -5.044 7.645 1.00 0.00 H new ATOM 0 HA ARG A 32 18.851 -5.057 8.651 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.858 -4.166 9.999 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.242 -5.806 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.253 -6.613 11.185 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.059 -5.072 10.969 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.226 -3.968 12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.520 -5.548 12.611 1.00 0.00 H new ATOM 0 HE ARG A 32 19.227 -5.788 13.383 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.389 -3.875 14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.896 -3.676 15.932 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.846 -5.503 15.528 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.830 -4.586 16.645 1.00 0.00 H new ATOM 117 N VAL A 33 19.247 -7.478 8.432 1.00 0.00 N ATOM 118 CA VAL A 33 19.516 -8.896 8.234 1.00 0.00 C ATOM 119 C VAL A 33 19.312 -9.680 9.526 1.00 0.00 C ATOM 120 O VAL A 33 19.912 -9.370 10.554 1.00 0.00 O ATOM 121 CB VAL A 33 20.955 -9.077 7.761 1.00 0.00 C ATOM 122 CG1 VAL A 33 21.241 -10.565 7.560 1.00 0.00 C ATOM 123 CG2 VAL A 33 21.160 -8.328 6.442 1.00 0.00 C ATOM 0 H VAL A 33 20.079 -6.900 8.548 1.00 0.00 H new ATOM 0 HA VAL A 33 18.821 -9.275 7.485 1.00 0.00 H new ATOM 0 HB VAL A 33 21.638 -8.676 8.510 1.00 0.00 H new ATOM 0 HG11 VAL A 33 22.269 -10.695 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 33 21.099 -11.093 8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.559 -10.969 6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 33 22.189 -8.458 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.479 -8.724 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.959 -7.267 6.591 1.00 0.00 H new ATOM 133 N HIS A 34 18.470 -10.705 9.458 1.00 0.00 N ATOM 134 CA HIS A 34 18.203 -11.540 10.623 1.00 0.00 C ATOM 135 C HIS A 34 18.894 -12.901 10.499 1.00 0.00 C ATOM 136 O HIS A 34 18.935 -13.672 11.459 1.00 0.00 O ATOM 137 CB HIS A 34 16.698 -11.744 10.783 1.00 0.00 C ATOM 138 CG HIS A 34 16.173 -12.535 9.618 1.00 0.00 C ATOM 139 ND1 HIS A 34 16.198 -13.919 9.597 1.00 0.00 N ATOM 140 CD2 HIS A 34 15.609 -12.151 8.426 1.00 0.00 C ATOM 141 CE1 HIS A 34 15.662 -14.317 8.428 1.00 0.00 C ATOM 142 NE2 HIS A 34 15.288 -13.279 7.677 1.00 0.00 N ATOM 0 H HIS A 34 17.964 -10.976 8.615 1.00 0.00 H new ATOM 0 HA HIS A 34 18.601 -11.031 11.501 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.488 -12.268 11.716 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.193 -10.779 10.838 1.00 0.00 H new ATOM 0 HD1 HIS A 34 16.557 -14.527 10.333 1.00 0.00 H new ATOM 0 HD2 HIS A 34 15.440 -11.130 8.117 1.00 0.00 H new ATOM 0 HE1 HIS A 34 15.549 -15.350 8.134 1.00 0.00 H new ATOM 150 N THR A 35 19.433 -13.197 9.314 1.00 0.00 N ATOM 151 CA THR A 35 20.113 -14.470 9.090 1.00 0.00 C ATOM 152 C THR A 35 21.285 -14.279 8.133 1.00 0.00 C ATOM 153 O THR A 35 21.269 -13.386 7.286 1.00 0.00 O ATOM 154 CB THR A 35 19.131 -15.490 8.509 1.00 0.00 C ATOM 155 OG1 THR A 35 19.756 -16.766 8.445 1.00 0.00 O ATOM 156 CG2 THR A 35 18.714 -15.054 7.105 1.00 0.00 C ATOM 0 H THR A 35 19.411 -12.578 8.504 1.00 0.00 H new ATOM 0 HA THR A 35 20.491 -14.839 10.043 1.00 0.00 H new ATOM 0 HB THR A 35 18.249 -15.550 9.147 1.00 0.00 H new ATOM 0 HG1 THR A 35 19.127 -17.420 8.075 1.00 0.00 H new ATOM 0 HG21 THR A 35 18.015 -15.780 6.691 1.00 0.00 H new ATOM 0 HG22 THR A 35 18.235 -14.076 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.595 -14.994 6.466 1.00 0.00 H new ATOM 164 N ASP A 36 22.306 -15.116 8.279 1.00 0.00 N ATOM 165 CA ASP A 36 23.487 -15.018 7.427 1.00 0.00 C ATOM 166 C ASP A 36 23.243 -15.687 6.078 1.00 0.00 C ATOM 167 O ASP A 36 23.150 -16.911 5.989 1.00 0.00 O ATOM 168 CB ASP A 36 24.685 -15.679 8.111 1.00 0.00 C ATOM 169 CG ASP A 36 24.273 -17.023 8.702 1.00 0.00 C ATOM 170 OD1 ASP A 36 24.394 -18.016 8.005 1.00 0.00 O ATOM 171 OD2 ASP A 36 23.836 -17.038 9.841 1.00 0.00 O ATOM 0 H ASP A 36 22.341 -15.863 8.972 1.00 0.00 H new ATOM 0 HA ASP A 36 23.697 -13.961 7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 36 25.492 -15.821 7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 36 25.069 -15.029 8.897 1.00 0.00 H new ATOM 176 N PHE A 37 23.158 -14.874 5.029 1.00 0.00 N ATOM 177 CA PHE A 37 22.943 -15.396 3.683 1.00 0.00 C ATOM 178 C PHE A 37 24.090 -14.989 2.767 1.00 0.00 C ATOM 179 O PHE A 37 24.468 -13.819 2.719 1.00 0.00 O ATOM 180 CB PHE A 37 21.610 -14.886 3.120 1.00 0.00 C ATOM 181 CG PHE A 37 21.607 -15.021 1.613 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.755 -16.282 1.024 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.453 -13.883 0.804 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.749 -16.409 -0.370 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.448 -14.012 -0.592 1.00 0.00 C ATOM 186 CZ PHE A 37 21.597 -15.275 -1.178 1.00 0.00 C ATOM 0 H PHE A 37 23.234 -13.858 5.084 1.00 0.00 H new ATOM 0 HA PHE A 37 22.907 -16.484 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.783 -15.453 3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 37 21.460 -13.844 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 37 21.874 -17.157 1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.339 -12.909 1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 37 21.862 -17.383 -0.823 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.329 -13.138 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.595 -15.375 -2.253 1.00 0.00 H new ATOM 196 N THR A 38 24.645 -15.959 2.041 1.00 0.00 N ATOM 197 CA THR A 38 25.754 -15.672 1.135 1.00 0.00 C ATOM 198 C THR A 38 25.427 -16.133 -0.287 1.00 0.00 C ATOM 199 O THR A 38 24.642 -17.062 -0.476 1.00 0.00 O ATOM 200 CB THR A 38 27.027 -16.379 1.616 1.00 0.00 C ATOM 201 OG1 THR A 38 26.802 -17.782 1.654 1.00 0.00 O ATOM 202 CG2 THR A 38 27.401 -15.882 3.013 1.00 0.00 C ATOM 0 H THR A 38 24.350 -16.935 2.062 1.00 0.00 H new ATOM 0 HA THR A 38 25.915 -14.594 1.130 1.00 0.00 H new ATOM 0 HB THR A 38 27.843 -16.158 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.615 -18.236 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 38 28.306 -16.388 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 38 27.577 -14.807 2.982 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.587 -16.097 3.706 1.00 0.00 H new ATOM 210 N PRO A 39 26.011 -15.506 -1.281 1.00 0.00 N ATOM 211 CA PRO A 39 25.773 -15.862 -2.710 1.00 0.00 C ATOM 212 C PRO A 39 26.516 -17.135 -3.121 1.00 0.00 C ATOM 213 O PRO A 39 27.479 -17.539 -2.469 1.00 0.00 O ATOM 214 CB PRO A 39 26.289 -14.639 -3.468 1.00 0.00 C ATOM 215 CG PRO A 39 27.364 -14.076 -2.603 1.00 0.00 C ATOM 216 CD PRO A 39 26.966 -14.387 -1.158 1.00 0.00 C ATOM 0 HA PRO A 39 24.726 -16.082 -2.916 1.00 0.00 H new ATOM 0 HB2 PRO A 39 26.676 -14.916 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 39 25.494 -13.912 -3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 39 28.329 -14.521 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 39 27.462 -13.001 -2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 39 27.832 -14.666 -0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 39 26.508 -13.523 -0.676 1.00 0.00 H new ATOM 224 N SER A 40 26.063 -17.759 -4.206 1.00 0.00 N ATOM 225 CA SER A 40 26.692 -18.983 -4.694 1.00 0.00 C ATOM 226 C SER A 40 28.060 -18.679 -5.309 1.00 0.00 C ATOM 227 O SER A 40 28.326 -17.544 -5.707 1.00 0.00 O ATOM 228 CB SER A 40 25.795 -19.654 -5.735 1.00 0.00 C ATOM 229 OG SER A 40 24.627 -20.149 -5.094 1.00 0.00 O ATOM 0 H SER A 40 25.268 -17.440 -4.760 1.00 0.00 H new ATOM 0 HA SER A 40 26.831 -19.658 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 40 25.523 -18.940 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.330 -20.469 -6.223 1.00 0.00 H new ATOM 0 HG SER A 40 24.047 -20.579 -5.757 1.00 0.00 H new ATOM 235 N PRO A 41 28.934 -19.657 -5.383 1.00 0.00 N ATOM 236 CA PRO A 41 30.305 -19.462 -5.954 1.00 0.00 C ATOM 237 C PRO A 41 30.260 -18.838 -7.346 1.00 0.00 C ATOM 238 O PRO A 41 31.033 -17.931 -7.654 1.00 0.00 O ATOM 239 CB PRO A 41 30.862 -20.886 -6.026 1.00 0.00 C ATOM 240 CG PRO A 41 30.131 -21.638 -4.968 1.00 0.00 C ATOM 241 CD PRO A 41 28.724 -21.046 -4.938 1.00 0.00 C ATOM 0 HA PRO A 41 30.910 -18.784 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 41 30.696 -21.326 -7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 41 31.937 -20.899 -5.848 1.00 0.00 H new ATOM 0 HG2 PRO A 41 30.103 -22.704 -5.194 1.00 0.00 H new ATOM 0 HG3 PRO A 41 30.622 -21.530 -4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 41 28.047 -21.583 -5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 41 28.291 -21.088 -3.939 1.00 0.00 H new ATOM 249 N TYR A 42 29.343 -19.326 -8.177 1.00 0.00 N ATOM 250 CA TYR A 42 29.192 -18.809 -9.536 1.00 0.00 C ATOM 251 C TYR A 42 28.305 -17.562 -9.552 1.00 0.00 C ATOM 252 O TYR A 42 28.260 -16.836 -10.546 1.00 0.00 O ATOM 253 CB TYR A 42 28.577 -19.881 -10.442 1.00 0.00 C ATOM 254 CG TYR A 42 27.149 -20.141 -10.023 1.00 0.00 C ATOM 255 CD1 TYR A 42 26.104 -19.420 -10.614 1.00 0.00 C ATOM 256 CD2 TYR A 42 26.869 -21.101 -9.044 1.00 0.00 C ATOM 257 CE1 TYR A 42 24.780 -19.660 -10.226 1.00 0.00 C ATOM 258 CE2 TYR A 42 25.545 -21.341 -8.656 1.00 0.00 C ATOM 259 CZ TYR A 42 24.500 -20.620 -9.247 1.00 0.00 C ATOM 260 OH TYR A 42 23.196 -20.855 -8.863 1.00 0.00 O ATOM 0 H TYR A 42 28.695 -20.076 -7.935 1.00 0.00 H new ATOM 0 HA TYR A 42 30.182 -18.540 -9.906 1.00 0.00 H new ATOM 0 HB2 TYR A 42 28.608 -19.554 -11.481 1.00 0.00 H new ATOM 0 HB3 TYR A 42 29.158 -20.801 -10.380 1.00 0.00 H new ATOM 0 HD1 TYR A 42 26.319 -18.679 -11.369 1.00 0.00 H new ATOM 0 HD2 TYR A 42 27.674 -21.657 -8.587 1.00 0.00 H new ATOM 0 HE1 TYR A 42 23.975 -19.104 -10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 42 25.330 -22.082 -7.901 1.00 0.00 H new ATOM 0 HH TYR A 42 23.178 -21.553 -8.175 1.00 0.00 H new ATOM 270 N ASP A 43 27.601 -17.322 -8.449 1.00 0.00 N ATOM 271 CA ASP A 43 26.720 -16.165 -8.351 1.00 0.00 C ATOM 272 C ASP A 43 27.473 -14.975 -7.765 1.00 0.00 C ATOM 273 O ASP A 43 27.722 -14.920 -6.561 1.00 0.00 O ATOM 274 CB ASP A 43 25.518 -16.500 -7.465 1.00 0.00 C ATOM 275 CG ASP A 43 24.550 -15.320 -7.419 1.00 0.00 C ATOM 276 OD1 ASP A 43 24.841 -14.311 -8.038 1.00 0.00 O ATOM 277 OD2 ASP A 43 23.529 -15.445 -6.762 1.00 0.00 O ATOM 0 H ASP A 43 27.624 -17.910 -7.616 1.00 0.00 H new ATOM 0 HA ASP A 43 26.371 -15.906 -9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 43 25.008 -17.383 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 43 25.856 -16.742 -6.457 1.00 0.00 H new ATOM 282 N THR A 44 27.836 -14.024 -8.620 1.00 0.00 N ATOM 283 CA THR A 44 28.561 -12.843 -8.166 1.00 0.00 C ATOM 284 C THR A 44 27.621 -11.645 -8.062 1.00 0.00 C ATOM 285 O THR A 44 27.871 -10.712 -7.300 1.00 0.00 O ATOM 286 CB THR A 44 29.687 -12.517 -9.150 1.00 0.00 C ATOM 287 OG1 THR A 44 29.125 -12.189 -10.413 1.00 0.00 O ATOM 288 CG2 THR A 44 30.606 -13.730 -9.302 1.00 0.00 C ATOM 0 H THR A 44 27.642 -14.047 -9.621 1.00 0.00 H new ATOM 0 HA THR A 44 28.980 -13.052 -7.182 1.00 0.00 H new ATOM 0 HB THR A 44 30.265 -11.673 -8.774 1.00 0.00 H new ATOM 0 HG1 THR A 44 29.843 -11.978 -11.046 1.00 0.00 H new ATOM 0 HG21 THR A 44 31.406 -13.494 -10.003 1.00 0.00 H new ATOM 0 HG22 THR A 44 31.036 -13.985 -8.333 1.00 0.00 H new ATOM 0 HG23 THR A 44 30.032 -14.577 -9.678 1.00 0.00 H new ATOM 296 N ASP A 45 26.537 -11.684 -8.831 1.00 0.00 N ATOM 297 CA ASP A 45 25.559 -10.600 -8.818 1.00 0.00 C ATOM 298 C ASP A 45 24.915 -10.477 -7.441 1.00 0.00 C ATOM 299 O ASP A 45 24.653 -9.374 -6.961 1.00 0.00 O ATOM 300 CB ASP A 45 24.478 -10.858 -9.870 1.00 0.00 C ATOM 301 CG ASP A 45 25.053 -10.656 -11.268 1.00 0.00 C ATOM 302 OD1 ASP A 45 26.133 -10.094 -11.367 1.00 0.00 O ATOM 303 OD2 ASP A 45 24.408 -11.065 -12.218 1.00 0.00 O ATOM 0 H ASP A 45 26.314 -12.449 -9.467 1.00 0.00 H new ATOM 0 HA ASP A 45 26.074 -9.668 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.095 -11.873 -9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.637 -10.183 -9.713 1.00 0.00 H new ATOM 308 N SER A 46 24.664 -11.617 -6.812 1.00 0.00 N ATOM 309 CA SER A 46 24.056 -11.625 -5.489 1.00 0.00 C ATOM 310 C SER A 46 25.070 -11.181 -4.439 1.00 0.00 C ATOM 311 O SER A 46 26.198 -11.673 -4.406 1.00 0.00 O ATOM 312 CB SER A 46 23.540 -13.028 -5.163 1.00 0.00 C ATOM 313 OG SER A 46 23.101 -13.065 -3.812 1.00 0.00 O ATOM 0 H SER A 46 24.870 -12.541 -7.193 1.00 0.00 H new ATOM 0 HA SER A 46 23.219 -10.927 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 46 22.720 -13.291 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 46 24.328 -13.764 -5.321 1.00 0.00 H new ATOM 0 HG SER A 46 22.686 -12.208 -3.579 1.00 0.00 H new ATOM 319 N LEU A 47 24.664 -10.246 -3.586 1.00 0.00 N ATOM 320 CA LEU A 47 25.544 -9.739 -2.544 1.00 0.00 C ATOM 321 C LEU A 47 25.421 -10.594 -1.288 1.00 0.00 C ATOM 322 O LEU A 47 24.445 -11.325 -1.119 1.00 0.00 O ATOM 323 CB LEU A 47 25.188 -8.289 -2.220 1.00 0.00 C ATOM 324 CG LEU A 47 26.468 -7.499 -1.954 1.00 0.00 C ATOM 325 CD1 LEU A 47 27.152 -7.170 -3.283 1.00 0.00 C ATOM 326 CD2 LEU A 47 26.114 -6.203 -1.228 1.00 0.00 C ATOM 0 H LEU A 47 23.734 -9.826 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 47 26.572 -9.784 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.639 -7.844 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.535 -8.249 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 47 27.144 -8.092 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 47 28.065 -6.606 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.399 -8.095 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.480 -6.574 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 47 27.023 -5.634 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 47 25.440 -5.611 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.625 -6.438 -0.282 1.00 0.00 H new ATOM 338 N LYS A 48 26.411 -10.496 -0.406 1.00 0.00 N ATOM 339 CA LYS A 48 26.392 -11.265 0.832 1.00 0.00 C ATOM 340 C LYS A 48 25.862 -10.410 1.982 1.00 0.00 C ATOM 341 O LYS A 48 26.102 -9.204 2.031 1.00 0.00 O ATOM 342 CB LYS A 48 27.806 -11.754 1.155 1.00 0.00 C ATOM 343 CG LYS A 48 28.651 -10.582 1.663 1.00 0.00 C ATOM 344 CD LYS A 48 30.108 -11.024 1.797 1.00 0.00 C ATOM 345 CE LYS A 48 30.891 -9.973 2.589 1.00 0.00 C ATOM 346 NZ LYS A 48 30.756 -8.644 1.929 1.00 0.00 N ATOM 0 H LYS A 48 27.229 -9.898 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 48 25.732 -12.123 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.766 -12.541 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.264 -12.187 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.577 -9.741 0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.274 -10.239 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.161 -11.989 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.551 -11.155 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.518 -9.922 3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.942 -10.256 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 31.487 -8.000 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.872 -8.753 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 29.815 -8.250 2.131 1.00 0.00 H new ATOM 360 N ILE A 49 25.146 -11.041 2.907 1.00 0.00 N ATOM 361 CA ILE A 49 24.598 -10.320 4.051 1.00 0.00 C ATOM 362 C ILE A 49 24.869 -11.094 5.341 1.00 0.00 C ATOM 363 O ILE A 49 24.932 -12.326 5.333 1.00 0.00 O ATOM 364 CB ILE A 49 23.091 -10.124 3.854 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.385 -11.482 3.892 1.00 0.00 C ATOM 366 CG2 ILE A 49 22.838 -9.468 2.496 1.00 0.00 C ATOM 367 CD1 ILE A 49 20.876 -11.284 3.718 1.00 0.00 C ATOM 0 H ILE A 49 24.933 -12.038 2.889 1.00 0.00 H new ATOM 0 HA ILE A 49 25.079 -9.345 4.128 1.00 0.00 H new ATOM 0 HB ILE A 49 22.704 -9.489 4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.771 -12.126 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.589 -11.983 4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 49 21.766 -9.328 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 49 23.339 -8.500 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.228 -10.108 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.376 -12.252 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.496 -10.657 4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.680 -10.802 2.760 1.00 0.00 H new ATOM 379 N LYS A 50 25.018 -10.370 6.448 1.00 0.00 N ATOM 380 CA LYS A 50 25.281 -11.005 7.735 1.00 0.00 C ATOM 381 C LYS A 50 24.330 -10.460 8.792 1.00 0.00 C ATOM 382 O LYS A 50 23.879 -9.318 8.703 1.00 0.00 O ATOM 383 CB LYS A 50 26.728 -10.752 8.169 1.00 0.00 C ATOM 384 CG LYS A 50 27.112 -11.741 9.274 1.00 0.00 C ATOM 385 CD LYS A 50 28.510 -11.409 9.803 1.00 0.00 C ATOM 386 CE LYS A 50 29.554 -11.708 8.726 1.00 0.00 C ATOM 387 NZ LYS A 50 30.915 -11.458 9.277 1.00 0.00 N ATOM 0 H LYS A 50 24.962 -9.352 6.479 1.00 0.00 H new ATOM 0 HA LYS A 50 25.124 -12.078 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.399 -10.864 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.837 -9.729 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.385 -11.694 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.092 -12.760 8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.561 -10.359 10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.719 -11.995 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.467 -12.743 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.382 -11.080 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 31.628 -11.660 8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 30.993 -10.463 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 31.076 -12.075 10.098 1.00 0.00 H new ATOM 401 N LYS A 51 24.012 -11.282 9.784 1.00 0.00 N ATOM 402 CA LYS A 51 23.097 -10.864 10.836 1.00 0.00 C ATOM 403 C LYS A 51 23.579 -9.574 11.493 1.00 0.00 C ATOM 404 O LYS A 51 24.716 -9.483 11.957 1.00 0.00 O ATOM 405 CB LYS A 51 22.995 -11.961 11.898 1.00 0.00 C ATOM 406 CG LYS A 51 22.430 -13.234 11.268 1.00 0.00 C ATOM 407 CD LYS A 51 22.186 -14.280 12.358 1.00 0.00 C ATOM 408 CE LYS A 51 23.525 -14.764 12.920 1.00 0.00 C ATOM 409 NZ LYS A 51 23.280 -15.829 13.931 1.00 0.00 N ATOM 0 H LYS A 51 24.370 -12.232 9.881 1.00 0.00 H new ATOM 0 HA LYS A 51 22.119 -10.687 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 51 23.978 -12.160 12.325 1.00 0.00 H new ATOM 0 HB3 LYS A 51 22.353 -11.632 12.715 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.498 -13.012 10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 51 23.125 -13.624 10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.579 -13.852 13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.627 -15.122 11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.152 -15.148 12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.063 -13.932 13.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.189 -16.159 14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.697 -15.447 14.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.783 -16.625 13.483 1.00 0.00 H new ATOM 423 N GLY A 52 22.699 -8.577 11.520 1.00 0.00 N ATOM 424 CA GLY A 52 23.026 -7.285 12.114 1.00 0.00 C ATOM 425 C GLY A 52 23.390 -6.257 11.045 1.00 0.00 C ATOM 426 O GLY A 52 23.377 -5.054 11.307 1.00 0.00 O ATOM 0 H GLY A 52 21.755 -8.639 11.138 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.177 -6.924 12.694 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.859 -7.402 12.807 1.00 0.00 H new ATOM 430 N ASP A 53 23.707 -6.727 9.839 1.00 0.00 N ATOM 431 CA ASP A 53 24.061 -5.821 8.751 1.00 0.00 C ATOM 432 C ASP A 53 22.827 -5.073 8.256 1.00 0.00 C ATOM 433 O ASP A 53 21.733 -5.634 8.191 1.00 0.00 O ATOM 434 CB ASP A 53 24.679 -6.600 7.585 1.00 0.00 C ATOM 435 CG ASP A 53 26.076 -7.081 7.958 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.583 -6.634 8.973 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.622 -7.881 7.217 1.00 0.00 O ATOM 0 H ASP A 53 23.726 -7.717 9.594 1.00 0.00 H new ATOM 0 HA ASP A 53 24.788 -5.104 9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 53 24.048 -7.452 7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.729 -5.966 6.700 1.00 0.00 H new ATOM 442 N ILE A 54 23.011 -3.806 7.903 1.00 0.00 N ATOM 443 CA ILE A 54 21.904 -2.995 7.410 1.00 0.00 C ATOM 444 C ILE A 54 22.144 -2.610 5.950 1.00 0.00 C ATOM 445 O ILE A 54 23.205 -2.095 5.599 1.00 0.00 O ATOM 446 CB ILE A 54 21.757 -1.732 8.263 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.562 -2.113 9.745 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.562 -0.912 7.769 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.325 -3.004 9.926 1.00 0.00 C ATOM 0 H ILE A 54 23.907 -3.322 7.948 1.00 0.00 H new ATOM 0 HA ILE A 54 20.985 -3.578 7.477 1.00 0.00 H new ATOM 0 HB ILE A 54 22.663 -1.133 8.172 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.447 -2.635 10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.455 -1.210 10.345 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.460 -0.014 8.378 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.720 -0.629 6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.653 -1.509 7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.211 -3.258 10.980 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.439 -2.470 9.583 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.446 -3.917 9.344 1.00 0.00 H new ATOM 461 N ILE A 55 21.150 -2.872 5.107 1.00 0.00 N ATOM 462 CA ILE A 55 21.254 -2.562 3.684 1.00 0.00 C ATOM 463 C ILE A 55 20.188 -1.557 3.275 1.00 0.00 C ATOM 464 O ILE A 55 19.004 -1.752 3.541 1.00 0.00 O ATOM 465 CB ILE A 55 21.087 -3.839 2.862 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.185 -4.831 3.250 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.199 -3.507 1.373 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.899 -6.198 2.621 1.00 0.00 C ATOM 0 H ILE A 55 20.265 -3.297 5.383 1.00 0.00 H new ATOM 0 HA ILE A 55 22.237 -2.130 3.497 1.00 0.00 H new ATOM 0 HB ILE A 55 20.109 -4.278 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.155 -4.463 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.237 -4.924 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.080 -4.418 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.420 -2.795 1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.177 -3.071 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.685 -6.899 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.938 -6.569 2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.870 -6.100 1.536 1.00 0.00 H new ATOM 480 N ASP A 56 20.612 -0.480 2.627 1.00 0.00 N ATOM 481 CA ASP A 56 19.674 0.541 2.191 1.00 0.00 C ATOM 482 C ASP A 56 18.952 0.096 0.925 1.00 0.00 C ATOM 483 O ASP A 56 19.575 -0.420 -0.006 1.00 0.00 O ATOM 484 CB ASP A 56 20.420 1.848 1.922 1.00 0.00 C ATOM 485 CG ASP A 56 21.198 1.744 0.616 1.00 0.00 C ATOM 486 OD1 ASP A 56 21.786 0.702 0.379 1.00 0.00 O ATOM 487 OD2 ASP A 56 21.193 2.710 -0.132 1.00 0.00 O ATOM 0 H ASP A 56 21.588 -0.293 2.395 1.00 0.00 H new ATOM 0 HA ASP A 56 18.938 0.697 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 56 19.713 2.676 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 56 21.102 2.063 2.745 1.00 0.00 H new ATOM 492 N ILE A 57 17.639 0.295 0.889 1.00 0.00 N ATOM 493 CA ILE A 57 16.856 -0.093 -0.279 1.00 0.00 C ATOM 494 C ILE A 57 17.047 0.918 -1.404 1.00 0.00 C ATOM 495 O ILE A 57 16.759 2.104 -1.242 1.00 0.00 O ATOM 496 CB ILE A 57 15.373 -0.183 0.087 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.160 -1.343 1.064 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.542 -0.417 -1.176 1.00 0.00 C ATOM 499 CD1 ILE A 57 13.751 -1.267 1.660 1.00 0.00 C ATOM 0 H ILE A 57 17.100 0.717 1.645 1.00 0.00 H new ATOM 0 HA ILE A 57 17.201 -1.070 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 57 15.059 0.750 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.296 -2.294 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.904 -1.302 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.487 -0.480 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.693 0.411 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.854 -1.348 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.605 -2.094 2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.631 -0.322 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.014 -1.330 0.860 1.00 0.00 H new ATOM 511 N ILE A 58 17.535 0.438 -2.542 1.00 0.00 N ATOM 512 CA ILE A 58 17.764 1.306 -3.691 1.00 0.00 C ATOM 513 C ILE A 58 16.734 1.042 -4.781 1.00 0.00 C ATOM 514 O ILE A 58 16.092 1.966 -5.280 1.00 0.00 O ATOM 515 CB ILE A 58 19.168 1.074 -4.251 1.00 0.00 C ATOM 516 CG1 ILE A 58 20.208 1.470 -3.200 1.00 0.00 C ATOM 517 CG2 ILE A 58 19.361 1.927 -5.507 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.592 0.998 -3.650 1.00 0.00 C ATOM 0 H ILE A 58 17.778 -0.541 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 58 17.669 2.340 -3.361 1.00 0.00 H new ATOM 0 HB ILE A 58 19.290 0.021 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.208 2.551 -3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.955 1.026 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.361 1.763 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.620 1.646 -6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.240 2.980 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.333 1.280 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.587 -0.086 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.843 1.464 -4.603 1.00 0.00 H new ATOM 530 N CYS A 59 16.586 -0.225 -5.156 1.00 0.00 N ATOM 531 CA CYS A 59 15.633 -0.590 -6.200 1.00 0.00 C ATOM 532 C CYS A 59 15.160 -2.030 -6.028 1.00 0.00 C ATOM 533 O CYS A 59 15.922 -2.900 -5.613 1.00 0.00 O ATOM 534 CB CYS A 59 16.277 -0.418 -7.579 1.00 0.00 C ATOM 535 SG CYS A 59 15.064 -0.805 -8.866 1.00 0.00 S ATOM 0 H CYS A 59 17.106 -1.007 -4.759 1.00 0.00 H new ATOM 0 HA CYS A 59 14.769 0.069 -6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 59 16.637 0.604 -7.699 1.00 0.00 H new ATOM 0 HB3 CYS A 59 17.143 -1.074 -7.672 1.00 0.00 H new ATOM 0 HG CYS A 59 15.611 -0.657 -10.036 1.00 0.00 H new ATOM 541 N LYS A 60 13.897 -2.281 -6.342 1.00 0.00 N ATOM 542 CA LYS A 60 13.350 -3.627 -6.215 1.00 0.00 C ATOM 543 C LYS A 60 13.400 -4.339 -7.560 1.00 0.00 C ATOM 544 O LYS A 60 13.188 -3.719 -8.603 1.00 0.00 O ATOM 545 CB LYS A 60 11.908 -3.556 -5.722 1.00 0.00 C ATOM 546 CG LYS A 60 11.884 -2.864 -4.362 1.00 0.00 C ATOM 547 CD LYS A 60 10.453 -2.820 -3.832 1.00 0.00 C ATOM 548 CE LYS A 60 10.420 -2.011 -2.535 1.00 0.00 C ATOM 549 NZ LYS A 60 11.293 -2.663 -1.520 1.00 0.00 N ATOM 0 H LYS A 60 13.238 -1.581 -6.683 1.00 0.00 H new ATOM 0 HA LYS A 60 13.948 -4.185 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.292 -3.007 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.487 -4.558 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.526 -3.397 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.280 -1.853 -4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.792 -2.369 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.088 -3.831 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.759 -0.992 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.398 -1.944 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.093 -2.262 -0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.106 -3.686 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.291 -2.497 -1.762 1.00 0.00 H new ATOM 563 N THR A 61 13.689 -5.638 -7.545 1.00 0.00 N ATOM 564 CA THR A 61 13.764 -6.384 -8.794 1.00 0.00 C ATOM 565 C THR A 61 12.450 -7.150 -9.033 1.00 0.00 C ATOM 566 O THR A 61 11.927 -7.767 -8.104 1.00 0.00 O ATOM 567 CB THR A 61 14.935 -7.375 -8.745 1.00 0.00 C ATOM 568 OG1 THR A 61 16.125 -6.689 -8.375 1.00 0.00 O ATOM 569 CG2 THR A 61 15.129 -7.995 -10.127 1.00 0.00 C ATOM 0 H THR A 61 13.871 -6.184 -6.703 1.00 0.00 H new ATOM 0 HA THR A 61 13.922 -5.681 -9.612 1.00 0.00 H new ATOM 0 HB THR A 61 14.718 -8.154 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 61 16.252 -6.754 -7.406 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.960 -8.700 -10.096 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.220 -8.519 -10.422 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.346 -7.210 -10.851 1.00 0.00 H new ATOM 577 N PRO A 62 11.905 -7.133 -10.239 1.00 0.00 N ATOM 578 CA PRO A 62 10.629 -7.856 -10.554 1.00 0.00 C ATOM 579 C PRO A 62 10.659 -9.316 -10.104 1.00 0.00 C ATOM 580 O PRO A 62 9.631 -9.880 -9.729 1.00 0.00 O ATOM 581 CB PRO A 62 10.536 -7.775 -12.076 1.00 0.00 C ATOM 582 CG PRO A 62 11.280 -6.540 -12.441 1.00 0.00 C ATOM 583 CD PRO A 62 12.420 -6.421 -11.430 1.00 0.00 C ATOM 0 HA PRO A 62 9.778 -7.414 -10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.976 -8.655 -12.546 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.498 -7.723 -12.406 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.666 -6.603 -13.458 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.630 -5.666 -12.400 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.337 -6.877 -11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.650 -5.379 -11.206 1.00 0.00 H new ATOM 591 N MET A 63 11.841 -9.922 -10.151 1.00 0.00 N ATOM 592 CA MET A 63 12.000 -11.318 -9.752 1.00 0.00 C ATOM 593 C MET A 63 11.609 -11.497 -8.292 1.00 0.00 C ATOM 594 O MET A 63 10.992 -12.497 -7.920 1.00 0.00 O ATOM 595 CB MET A 63 13.454 -11.756 -9.953 1.00 0.00 C ATOM 596 CG MET A 63 13.760 -11.866 -11.448 1.00 0.00 C ATOM 597 SD MET A 63 12.817 -13.241 -12.159 1.00 0.00 S ATOM 598 CE MET A 63 13.310 -12.994 -13.882 1.00 0.00 C ATOM 0 H MET A 63 12.702 -9.470 -10.461 1.00 0.00 H new ATOM 0 HA MET A 63 11.349 -11.935 -10.371 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.128 -11.037 -9.486 1.00 0.00 H new ATOM 0 HB3 MET A 63 13.625 -12.716 -9.466 1.00 0.00 H new ATOM 0 HG2 MET A 63 13.502 -10.935 -11.952 1.00 0.00 H new ATOM 0 HG3 MET A 63 14.827 -12.026 -11.601 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.834 -13.748 -14.508 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.001 -12.002 -14.210 1.00 0.00 H new ATOM 0 HE3 MET A 63 14.393 -13.083 -13.967 1.00 0.00 H new ATOM 608 N GLY A 64 11.969 -10.520 -7.468 1.00 0.00 N ATOM 609 CA GLY A 64 11.647 -10.574 -6.048 1.00 0.00 C ATOM 610 C GLY A 64 12.800 -10.047 -5.203 1.00 0.00 C ATOM 611 O GLY A 64 12.584 -9.342 -4.222 1.00 0.00 O ATOM 0 H GLY A 64 12.481 -9.686 -7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.751 -9.986 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.422 -11.602 -5.762 1.00 0.00 H new ATOM 615 N MET A 65 14.021 -10.392 -5.590 1.00 0.00 N ATOM 616 CA MET A 65 15.193 -9.953 -4.844 1.00 0.00 C ATOM 617 C MET A 65 15.296 -8.430 -4.845 1.00 0.00 C ATOM 618 O MET A 65 14.920 -7.769 -5.809 1.00 0.00 O ATOM 619 CB MET A 65 16.460 -10.551 -5.455 1.00 0.00 C ATOM 620 CG MET A 65 16.452 -12.072 -5.280 1.00 0.00 C ATOM 621 SD MET A 65 17.962 -12.783 -5.988 1.00 0.00 S ATOM 622 CE MET A 65 19.103 -12.321 -4.656 1.00 0.00 C ATOM 0 H MET A 65 14.225 -10.968 -6.407 1.00 0.00 H new ATOM 0 HA MET A 65 15.089 -10.297 -3.815 1.00 0.00 H new ATOM 0 HB2 MET A 65 16.519 -10.298 -6.514 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.342 -10.125 -4.976 1.00 0.00 H new ATOM 0 HG2 MET A 65 16.382 -12.325 -4.222 1.00 0.00 H new ATOM 0 HG3 MET A 65 15.576 -12.498 -5.768 1.00 0.00 H new ATOM 0 HE1 MET A 65 20.082 -12.762 -4.846 1.00 0.00 H new ATOM 0 HE2 MET A 65 19.196 -11.236 -4.616 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.719 -12.687 -3.704 1.00 0.00 H new ATOM 632 N TRP A 66 15.794 -7.881 -3.746 1.00 0.00 N ATOM 633 CA TRP A 66 15.931 -6.435 -3.618 1.00 0.00 C ATOM 634 C TRP A 66 17.362 -5.999 -3.925 1.00 0.00 C ATOM 635 O TRP A 66 18.306 -6.772 -3.763 1.00 0.00 O ATOM 636 CB TRP A 66 15.561 -5.993 -2.202 1.00 0.00 C ATOM 637 CG TRP A 66 14.084 -6.124 -1.992 1.00 0.00 C ATOM 638 CD1 TRP A 66 13.219 -6.731 -2.838 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.291 -5.638 -0.875 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.945 -6.655 -2.303 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.937 -5.986 -1.091 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.618 -4.934 0.295 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.940 -5.646 -0.167 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.623 -4.592 1.221 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.287 -4.947 0.990 1.00 0.00 C ATOM 0 H TRP A 66 16.109 -8.411 -2.933 1.00 0.00 H new ATOM 0 HA TRP A 66 15.256 -5.966 -4.334 1.00 0.00 H new ATOM 0 HB2 TRP A 66 16.095 -6.601 -1.472 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.869 -4.959 -2.043 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.480 -7.198 -3.776 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.113 -7.044 -2.747 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.644 -4.654 0.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.912 -5.922 -0.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.887 -4.052 2.118 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.526 -4.679 1.708 1.00 0.00 H new ATOM 656 N THR A 67 17.513 -4.753 -4.368 1.00 0.00 N ATOM 657 CA THR A 67 18.829 -4.216 -4.694 1.00 0.00 C ATOM 658 C THR A 67 19.210 -3.144 -3.678 1.00 0.00 C ATOM 659 O THR A 67 18.398 -2.275 -3.348 1.00 0.00 O ATOM 660 CB THR A 67 18.822 -3.614 -6.098 1.00 0.00 C ATOM 661 OG1 THR A 67 18.428 -4.612 -7.032 1.00 0.00 O ATOM 662 CG2 THR A 67 20.226 -3.121 -6.446 1.00 0.00 C ATOM 0 H THR A 67 16.743 -4.099 -4.509 1.00 0.00 H new ATOM 0 HA THR A 67 19.559 -5.025 -4.661 1.00 0.00 H new ATOM 0 HB THR A 67 18.123 -2.778 -6.136 1.00 0.00 H new ATOM 0 HG1 THR A 67 19.189 -5.199 -7.223 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.223 -2.691 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 67 20.534 -2.362 -5.726 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.924 -3.957 -6.412 1.00 0.00 H new ATOM 670 N GLY A 68 20.448 -3.202 -3.191 1.00 0.00 N ATOM 671 CA GLY A 68 20.915 -2.228 -2.209 1.00 0.00 C ATOM 672 C GLY A 68 22.436 -2.105 -2.229 1.00 0.00 C ATOM 673 O GLY A 68 23.105 -2.695 -3.080 1.00 0.00 O ATOM 0 H GLY A 68 21.138 -3.905 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.467 -1.256 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.585 -2.525 -1.214 1.00 0.00 H new ATOM 677 N MET A 69 22.975 -1.331 -1.290 1.00 0.00 N ATOM 678 CA MET A 69 24.419 -1.135 -1.211 1.00 0.00 C ATOM 679 C MET A 69 24.955 -1.628 0.130 1.00 0.00 C ATOM 680 O MET A 69 24.344 -1.403 1.175 1.00 0.00 O ATOM 681 CB MET A 69 24.768 0.345 -1.383 1.00 0.00 C ATOM 682 CG MET A 69 26.287 0.514 -1.353 1.00 0.00 C ATOM 683 SD MET A 69 26.712 2.249 -1.659 1.00 0.00 S ATOM 684 CE MET A 69 26.136 2.912 -0.077 1.00 0.00 C ATOM 0 H MET A 69 22.439 -0.834 -0.579 1.00 0.00 H new ATOM 0 HA MET A 69 24.881 -1.710 -2.014 1.00 0.00 H new ATOM 0 HB2 MET A 69 24.368 0.717 -2.326 1.00 0.00 H new ATOM 0 HB3 MET A 69 24.310 0.933 -0.588 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.679 0.198 -0.386 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.749 -0.123 -2.108 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.647 3.852 0.131 1.00 0.00 H new ATOM 0 HE2 MET A 69 25.061 3.086 -0.125 1.00 0.00 H new ATOM 0 HE3 MET A 69 26.353 2.198 0.717 1.00 0.00 H new ATOM 694 N LEU A 70 26.098 -2.304 0.084 1.00 0.00 N ATOM 695 CA LEU A 70 26.723 -2.836 1.292 1.00 0.00 C ATOM 696 C LEU A 70 28.241 -2.777 1.173 1.00 0.00 C ATOM 697 O LEU A 70 28.801 -3.272 0.199 1.00 0.00 O ATOM 698 CB LEU A 70 26.294 -4.291 1.492 1.00 0.00 C ATOM 699 CG LEU A 70 25.892 -4.516 2.949 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.294 -5.916 3.095 1.00 0.00 C ATOM 701 CD2 LEU A 70 27.126 -4.398 3.845 1.00 0.00 C ATOM 0 H LEU A 70 26.611 -2.497 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 70 26.407 -2.234 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.458 -4.527 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.111 -4.961 1.223 1.00 0.00 H new ATOM 0 HG LEU A 70 25.157 -3.767 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.005 -6.082 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.416 -6.005 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.034 -6.660 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.838 -4.559 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.861 -5.148 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.559 -3.404 3.738 1.00 0.00 H new ATOM 713 N ASN A 71 28.893 -2.157 2.161 1.00 0.00 N ATOM 714 CA ASN A 71 30.353 -2.020 2.166 1.00 0.00 C ATOM 715 C ASN A 71 30.879 -1.625 0.789 1.00 0.00 C ATOM 716 O ASN A 71 31.732 -2.309 0.223 1.00 0.00 O ATOM 717 CB ASN A 71 31.034 -3.324 2.618 1.00 0.00 C ATOM 718 CG ASN A 71 30.615 -4.502 1.742 1.00 0.00 C ATOM 719 OD1 ASN A 71 29.535 -5.064 1.926 1.00 0.00 O ATOM 720 ND2 ASN A 71 31.398 -4.895 0.774 1.00 0.00 N ATOM 0 H ASN A 71 28.432 -1.741 2.970 1.00 0.00 H new ATOM 0 HA ASN A 71 30.595 -1.229 2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 71 32.117 -3.204 2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 71 30.776 -3.531 3.657 1.00 0.00 H new ATOM 0 HD21 ASN A 71 31.115 -5.667 0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 71 32.293 -4.430 0.621 1.00 0.00 H new ATOM 727 N ASN A 72 30.372 -0.515 0.257 1.00 0.00 N ATOM 728 CA ASN A 72 30.804 -0.036 -1.052 1.00 0.00 C ATOM 729 C ASN A 72 30.629 -1.123 -2.103 1.00 0.00 C ATOM 730 O ASN A 72 31.416 -1.226 -3.044 1.00 0.00 O ATOM 731 CB ASN A 72 32.273 0.394 -0.993 1.00 0.00 C ATOM 732 CG ASN A 72 32.422 1.649 -0.138 1.00 0.00 C ATOM 733 OD1 ASN A 72 31.457 2.388 0.057 1.00 0.00 O ATOM 734 ND2 ASN A 72 33.583 1.936 0.387 1.00 0.00 N ATOM 0 H ASN A 72 29.666 0.066 0.710 1.00 0.00 H new ATOM 0 HA ASN A 72 30.188 0.820 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.879 -0.412 -0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.644 0.585 -2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 72 33.691 2.773 0.959 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.382 1.323 0.225 1.00 0.00 H new ATOM 741 N LYS A 73 29.587 -1.929 -1.939 1.00 0.00 N ATOM 742 CA LYS A 73 29.306 -3.003 -2.880 1.00 0.00 C ATOM 743 C LYS A 73 27.803 -3.148 -3.087 1.00 0.00 C ATOM 744 O LYS A 73 27.077 -3.504 -2.164 1.00 0.00 O ATOM 745 CB LYS A 73 29.890 -4.320 -2.363 1.00 0.00 C ATOM 746 CG LYS A 73 31.067 -4.734 -3.246 1.00 0.00 C ATOM 747 CD LYS A 73 30.538 -5.356 -4.539 1.00 0.00 C ATOM 748 CE LYS A 73 31.437 -6.522 -4.951 1.00 0.00 C ATOM 749 NZ LYS A 73 31.121 -7.712 -4.110 1.00 0.00 N ATOM 0 H LYS A 73 28.926 -1.859 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 73 29.769 -2.758 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.219 -4.204 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 73 29.126 -5.097 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 73 31.687 -3.867 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 73 31.699 -5.448 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 73 29.515 -5.705 -4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 73 30.511 -4.607 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 73 31.286 -6.757 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 73 32.485 -6.247 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 31.618 -8.545 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 31.428 -7.537 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 30.096 -7.885 -4.125 1.00 0.00 H new ATOM 763 N VAL A 74 27.339 -2.882 -4.300 1.00 0.00 N ATOM 764 CA VAL A 74 25.914 -2.999 -4.591 1.00 0.00 C ATOM 765 C VAL A 74 25.612 -4.338 -5.244 1.00 0.00 C ATOM 766 O VAL A 74 26.374 -4.814 -6.086 1.00 0.00 O ATOM 767 CB VAL A 74 25.465 -1.863 -5.513 1.00 0.00 C ATOM 768 CG1 VAL A 74 25.500 -0.543 -4.743 1.00 0.00 C ATOM 769 CG2 VAL A 74 26.404 -1.772 -6.718 1.00 0.00 C ATOM 0 H VAL A 74 27.916 -2.588 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 74 25.367 -2.933 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 74 24.451 -2.060 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 74 25.181 0.268 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 74 24.829 -0.604 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 74 26.515 -0.351 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 74 26.080 -0.962 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 74 27.420 -1.577 -6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 74 26.382 -2.713 -7.268 1.00 0.00 H new ATOM 779 N GLY A 75 24.501 -4.950 -4.844 1.00 0.00 N ATOM 780 CA GLY A 75 24.121 -6.244 -5.394 1.00 0.00 C ATOM 781 C GLY A 75 22.692 -6.608 -5.002 1.00 0.00 C ATOM 782 O GLY A 75 21.993 -5.827 -4.351 1.00 0.00 O ATOM 0 H GLY A 75 23.856 -4.575 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 75 24.209 -6.221 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.807 -7.011 -5.035 1.00 0.00 H new ATOM 786 N ASN A 76 22.264 -7.798 -5.410 1.00 0.00 N ATOM 787 CA ASN A 76 20.916 -8.259 -5.105 1.00 0.00 C ATOM 788 C ASN A 76 20.939 -9.282 -3.973 1.00 0.00 C ATOM 789 O ASN A 76 21.902 -10.030 -3.816 1.00 0.00 O ATOM 790 CB ASN A 76 20.285 -8.884 -6.353 1.00 0.00 C ATOM 791 CG ASN A 76 20.017 -7.805 -7.397 1.00 0.00 C ATOM 792 OD1 ASN A 76 19.962 -6.619 -7.066 1.00 0.00 O ATOM 793 ND2 ASN A 76 19.841 -8.145 -8.645 1.00 0.00 N ATOM 0 H ASN A 76 22.827 -8.456 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 76 20.322 -7.402 -4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.949 -9.644 -6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.354 -9.385 -6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.658 -7.429 -9.348 1.00 0.00 H new ATOM 0 HD22 ASN A 76 19.887 -9.127 -8.917 1.00 0.00 H new ATOM 800 N PHE A 77 19.866 -9.305 -3.193 1.00 0.00 N ATOM 801 CA PHE A 77 19.753 -10.237 -2.076 1.00 0.00 C ATOM 802 C PHE A 77 18.303 -10.658 -1.883 1.00 0.00 C ATOM 803 O PHE A 77 17.381 -9.973 -2.329 1.00 0.00 O ATOM 804 CB PHE A 77 20.297 -9.590 -0.801 1.00 0.00 C ATOM 805 CG PHE A 77 19.545 -8.313 -0.528 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.390 -8.333 0.256 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.007 -7.108 -1.068 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.695 -7.142 0.502 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.313 -5.918 -0.822 1.00 0.00 C ATOM 810 CZ PHE A 77 18.156 -5.936 -0.035 1.00 0.00 C ATOM 0 H PHE A 77 19.061 -8.690 -3.312 1.00 0.00 H new ATOM 0 HA PHE A 77 20.342 -11.127 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.191 -10.274 0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.361 -9.382 -0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.033 -9.264 0.672 1.00 0.00 H new ATOM 0 HD2 PHE A 77 20.900 -7.096 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.801 -7.155 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 77 19.670 -4.988 -1.239 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.619 -5.019 0.158 1.00 0.00 H new ATOM 820 N LYS A 78 18.109 -11.803 -1.238 1.00 0.00 N ATOM 821 CA LYS A 78 16.768 -12.325 -1.020 1.00 0.00 C ATOM 822 C LYS A 78 16.115 -11.654 0.186 1.00 0.00 C ATOM 823 O LYS A 78 16.590 -11.776 1.315 1.00 0.00 O ATOM 824 CB LYS A 78 16.844 -13.838 -0.804 1.00 0.00 C ATOM 825 CG LYS A 78 15.564 -14.500 -1.324 1.00 0.00 C ATOM 826 CD LYS A 78 15.744 -16.022 -1.336 1.00 0.00 C ATOM 827 CE LYS A 78 16.678 -16.421 -2.483 1.00 0.00 C ATOM 828 NZ LYS A 78 16.695 -17.906 -2.625 1.00 0.00 N ATOM 0 H LYS A 78 18.858 -12.383 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 78 16.158 -12.111 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.712 -14.246 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.973 -14.058 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.719 -14.228 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.339 -14.142 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.157 -16.357 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.777 -16.512 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.344 -15.961 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.686 -16.053 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.330 -18.173 -3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.033 -18.335 -1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.734 -18.246 -2.830 1.00 0.00 H new ATOM 842 N PHE A 79 15.025 -10.941 -0.070 1.00 0.00 N ATOM 843 CA PHE A 79 14.305 -10.240 0.992 1.00 0.00 C ATOM 844 C PHE A 79 13.853 -11.209 2.076 1.00 0.00 C ATOM 845 O PHE A 79 13.636 -10.812 3.218 1.00 0.00 O ATOM 846 CB PHE A 79 13.088 -9.516 0.415 1.00 0.00 C ATOM 847 CG PHE A 79 12.250 -10.499 -0.364 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.304 -11.298 0.286 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.428 -10.609 -1.743 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.536 -12.208 -0.451 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.665 -11.514 -2.482 1.00 0.00 C ATOM 852 CZ PHE A 79 10.718 -12.318 -1.837 1.00 0.00 C ATOM 0 H PHE A 79 14.619 -10.832 -0.999 1.00 0.00 H new ATOM 0 HA PHE A 79 14.985 -9.513 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.499 -9.073 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.408 -8.700 -0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.166 -11.213 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.160 -9.991 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.804 -12.825 0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.805 -11.594 -3.550 1.00 0.00 H new ATOM 0 HZ PHE A 79 10.129 -13.022 -2.406 1.00 0.00 H new ATOM 862 N ILE A 80 13.697 -12.477 1.717 1.00 0.00 N ATOM 863 CA ILE A 80 13.260 -13.480 2.682 1.00 0.00 C ATOM 864 C ILE A 80 14.224 -13.546 3.864 1.00 0.00 C ATOM 865 O ILE A 80 13.848 -13.950 4.964 1.00 0.00 O ATOM 866 CB ILE A 80 13.184 -14.848 1.997 1.00 0.00 C ATOM 867 CG1 ILE A 80 12.485 -15.855 2.915 1.00 0.00 C ATOM 868 CG2 ILE A 80 14.592 -15.352 1.682 1.00 0.00 C ATOM 869 CD1 ILE A 80 11.018 -15.475 3.063 1.00 0.00 C ATOM 0 H ILE A 80 13.864 -12.833 0.776 1.00 0.00 H new ATOM 0 HA ILE A 80 12.275 -13.202 3.056 1.00 0.00 H new ATOM 0 HB ILE A 80 12.618 -14.744 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.571 -16.860 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.968 -15.869 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 80 14.530 -16.325 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 80 15.091 -14.646 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 80 15.161 -15.445 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.521 -16.192 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.942 -14.477 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 80 10.539 -15.484 2.084 1.00 0.00 H new ATOM 881 N TYR A 81 15.465 -13.148 3.623 1.00 0.00 N ATOM 882 CA TYR A 81 16.488 -13.163 4.666 1.00 0.00 C ATOM 883 C TYR A 81 16.707 -11.766 5.245 1.00 0.00 C ATOM 884 O TYR A 81 17.695 -11.521 5.938 1.00 0.00 O ATOM 885 CB TYR A 81 17.806 -13.699 4.090 1.00 0.00 C ATOM 886 CG TYR A 81 17.592 -15.108 3.580 1.00 0.00 C ATOM 887 CD1 TYR A 81 18.091 -15.484 2.326 1.00 0.00 C ATOM 888 CD2 TYR A 81 16.882 -16.034 4.355 1.00 0.00 C ATOM 889 CE1 TYR A 81 17.881 -16.784 1.850 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.670 -17.333 3.879 1.00 0.00 C ATOM 891 CZ TYR A 81 17.169 -17.708 2.625 1.00 0.00 C ATOM 892 OH TYR A 81 16.960 -18.988 2.153 1.00 0.00 O ATOM 0 H TYR A 81 15.790 -12.811 2.717 1.00 0.00 H new ATOM 0 HA TYR A 81 16.146 -13.815 5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.151 -13.055 3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.581 -13.691 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.638 -14.771 1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.497 -15.745 5.322 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.268 -17.074 0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.122 -18.045 4.478 1.00 0.00 H new ATOM 0 HH TYR A 81 16.450 -19.501 2.814 1.00 0.00 H new ATOM 902 N VAL A 82 15.787 -10.850 4.956 1.00 0.00 N ATOM 903 CA VAL A 82 15.901 -9.487 5.451 1.00 0.00 C ATOM 904 C VAL A 82 14.521 -8.935 5.808 1.00 0.00 C ATOM 905 O VAL A 82 13.506 -9.387 5.278 1.00 0.00 O ATOM 906 CB VAL A 82 16.541 -8.606 4.379 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.446 -7.901 3.573 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.451 -7.569 5.039 1.00 0.00 C ATOM 0 H VAL A 82 14.961 -11.028 4.385 1.00 0.00 H new ATOM 0 HA VAL A 82 16.523 -9.488 6.346 1.00 0.00 H new ATOM 0 HB VAL A 82 17.136 -9.226 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.904 -7.273 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.808 -8.646 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.845 -7.282 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 82 17.906 -6.943 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.864 -6.947 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.233 -8.078 5.602 1.00 0.00 H new ATOM 918 N ASP A 83 14.492 -7.949 6.694 1.00 0.00 N ATOM 919 CA ASP A 83 13.228 -7.338 7.094 1.00 0.00 C ATOM 920 C ASP A 83 13.317 -5.821 7.009 1.00 0.00 C ATOM 921 O ASP A 83 14.385 -5.246 7.190 1.00 0.00 O ATOM 922 CB ASP A 83 12.869 -7.760 8.517 1.00 0.00 C ATOM 923 CG ASP A 83 12.728 -9.277 8.581 1.00 0.00 C ATOM 924 OD1 ASP A 83 12.198 -9.841 7.637 1.00 0.00 O ATOM 925 OD2 ASP A 83 13.153 -9.851 9.568 1.00 0.00 O ATOM 0 H ASP A 83 15.318 -7.557 7.146 1.00 0.00 H new ATOM 0 HA ASP A 83 12.448 -7.679 6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.640 -7.427 9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.937 -7.285 8.824 1.00 0.00 H new ATOM 930 N VAL A 84 12.196 -5.170 6.735 1.00 0.00 N ATOM 931 CA VAL A 84 12.195 -3.715 6.640 1.00 0.00 C ATOM 932 C VAL A 84 11.814 -3.098 7.982 1.00 0.00 C ATOM 933 O VAL A 84 10.832 -3.500 8.607 1.00 0.00 O ATOM 934 CB VAL A 84 11.230 -3.248 5.543 1.00 0.00 C ATOM 935 CG1 VAL A 84 11.628 -3.889 4.213 1.00 0.00 C ATOM 936 CG2 VAL A 84 9.797 -3.654 5.893 1.00 0.00 C ATOM 0 H VAL A 84 11.291 -5.614 6.577 1.00 0.00 H new ATOM 0 HA VAL A 84 13.200 -3.384 6.377 1.00 0.00 H new ATOM 0 HB VAL A 84 11.282 -2.162 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.944 -3.559 3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.644 -3.591 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.580 -4.974 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.121 -3.317 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.738 -4.739 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.510 -3.196 6.839 1.00 0.00 H new ATOM 946 N ILE A 85 12.601 -2.118 8.420 1.00 0.00 N ATOM 947 CA ILE A 85 12.339 -1.453 9.693 1.00 0.00 C ATOM 948 C ILE A 85 12.261 0.060 9.509 1.00 0.00 C ATOM 949 O ILE A 85 12.911 0.623 8.628 1.00 0.00 O ATOM 950 CB ILE A 85 13.439 -1.791 10.710 1.00 0.00 C ATOM 951 CG1 ILE A 85 14.805 -1.354 10.168 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.456 -3.300 10.967 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.849 -1.423 11.287 1.00 0.00 C ATOM 0 H ILE A 85 13.418 -1.770 7.918 1.00 0.00 H new ATOM 0 HA ILE A 85 11.380 -1.811 10.068 1.00 0.00 H new ATOM 0 HB ILE A 85 13.235 -1.263 11.641 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.102 -1.998 9.340 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.744 -0.339 9.776 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.237 -3.537 11.689 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.490 -3.613 11.362 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.653 -3.826 10.033 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.819 -1.112 10.899 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.554 -0.761 12.101 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.918 -2.446 11.658 1.00 0.00 H new ATOM 965 N SER A 86 11.461 0.709 10.350 1.00 0.00 N ATOM 966 CA SER A 86 11.303 2.158 10.278 1.00 0.00 C ATOM 967 C SER A 86 12.522 2.864 10.864 1.00 0.00 C ATOM 968 O SER A 86 13.318 2.257 11.582 1.00 0.00 O ATOM 969 CB SER A 86 10.045 2.587 11.037 1.00 0.00 C ATOM 970 OG SER A 86 10.241 2.382 12.431 1.00 0.00 O ATOM 0 H SER A 86 10.915 0.258 11.085 1.00 0.00 H new ATOM 0 HA SER A 86 11.207 2.440 9.230 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.828 3.637 10.840 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.185 2.013 10.691 1.00 0.00 H new ATOM 0 HG SER A 86 9.437 2.658 12.918 1.00 0.00 H new ATOM 976 N GLU A 87 12.660 4.149 10.555 1.00 0.00 N ATOM 977 CA GLU A 87 13.781 4.932 11.060 1.00 0.00 C ATOM 978 C GLU A 87 13.402 6.406 11.161 1.00 0.00 C ATOM 979 O GLU A 87 13.019 6.970 10.149 1.00 0.00 O ATOM 980 CB GLU A 87 14.990 4.779 10.134 1.00 0.00 C ATOM 981 CG GLU A 87 15.897 3.664 10.658 1.00 0.00 C ATOM 982 CD GLU A 87 17.199 3.634 9.863 1.00 0.00 C ATOM 983 OE1 GLU A 87 17.457 4.591 9.152 1.00 0.00 O ATOM 984 OE2 GLU A 87 17.918 2.655 9.979 1.00 0.00 O ATOM 0 H GLU A 87 12.013 4.668 9.961 1.00 0.00 H new ATOM 0 HA GLU A 87 14.036 4.563 12.053 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.659 4.547 9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.542 5.717 10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.110 3.824 11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.389 2.703 10.577 1.00 0.00 H new