USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 742 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 15 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0.00238 USER MOD Set 2.2: A 68 THR OG1 : rot -101:sc= 0.00195 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.219 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 82:sc= -0.0312 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00659 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 131:sc= -0.253 (180deg=-2.53!) USER MOD Single : A 33 HIS : no HD1:sc= -0.384 K(o=-0.38,f=-2.8) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -40:sc= 0.539 USER MOD Single : A 51 THR OG1 : rot 97:sc= 0.0308 USER MOD Single : A 58 ASN : amide:sc= -2.44 K(o=-2.4,f=-7.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 32:sc= 0.0627 USER MOD Single : A 74 THR OG1 : rot -37:sc= 0.0481 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= -2.9! (180deg=-3.37!) USER MOD Single : A 86 ASN : amide:sc= -4.66! C(o=-4.7!,f=-11!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -111:sc= -0.48 (180deg=-1.2) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.245 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 103 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0859) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -19.705 -2.499 0.085 1.00 0.00 N ATOM 60 CA GLY A 7 -20.521 -1.575 0.851 1.00 0.00 C ATOM 61 C GLY A 7 -19.771 -0.311 1.224 1.00 0.00 C ATOM 62 O GLY A 7 -20.317 0.790 1.148 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.406 -1.311 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.869 -2.069 1.758 1.00 0.00 H new ATOM 66 N THR A 8 -18.515 -0.469 1.631 1.00 0.00 N ATOM 67 CA THR A 8 -17.689 0.668 2.019 1.00 0.00 C ATOM 68 C THR A 8 -16.829 1.146 0.856 1.00 0.00 C ATOM 69 O THR A 8 -16.575 0.399 -0.089 1.00 0.00 O ATOM 70 CB THR A 8 -16.776 0.318 3.209 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.543 -0.288 4.255 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.078 1.561 3.740 1.00 0.00 C ATOM 0 H THR A 8 -18.048 -1.373 1.700 1.00 0.00 H new ATOM 0 HA THR A 8 -18.369 1.467 2.315 1.00 0.00 H new ATOM 0 HB THR A 8 -16.018 -0.385 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.954 -0.509 5.007 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.439 1.289 4.580 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.471 2.003 2.950 1.00 0.00 H new ATOM 0 HG23 THR A 8 -16.824 2.284 4.071 1.00 0.00 H new ATOM 80 N SER A 9 -16.382 2.396 0.930 1.00 0.00 N ATOM 81 CA SER A 9 -15.552 2.975 -0.119 1.00 0.00 C ATOM 82 C SER A 9 -14.104 2.513 0.016 1.00 0.00 C ATOM 83 O SER A 9 -13.610 2.248 1.112 1.00 0.00 O ATOM 84 CB SER A 9 -15.618 4.502 -0.067 1.00 0.00 C ATOM 85 OG SER A 9 -14.412 5.082 -0.534 1.00 0.00 O ATOM 0 H SER A 9 -16.581 3.027 1.706 1.00 0.00 H new ATOM 0 HA SER A 9 -15.936 2.634 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.453 4.854 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.808 4.826 0.956 1.00 0.00 H new ATOM 0 HG SER A 9 -14.481 6.059 -0.492 1.00 0.00 H new ATOM 91 N PRO A 10 -13.407 2.413 -1.125 1.00 0.00 N ATOM 92 CA PRO A 10 -12.006 1.983 -1.161 1.00 0.00 C ATOM 93 C PRO A 10 -11.064 3.023 -0.563 1.00 0.00 C ATOM 94 O PRO A 10 -11.450 4.160 -0.290 1.00 0.00 O ATOM 95 CB PRO A 10 -11.727 1.808 -2.656 1.00 0.00 C ATOM 96 CG PRO A 10 -12.701 2.710 -3.332 1.00 0.00 C ATOM 97 CD PRO A 10 -13.932 2.712 -2.468 1.00 0.00 C ATOM 0 HA PRO A 10 -11.842 1.080 -0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.700 2.079 -2.901 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.866 0.772 -2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.295 3.716 -3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.930 2.354 -4.337 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.440 3.676 -2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.653 1.962 -2.794 1.00 0.00 H new ATOM 105 N PRO A 11 -9.800 2.626 -0.352 1.00 0.00 N ATOM 106 CA PRO A 11 -8.778 3.510 0.216 1.00 0.00 C ATOM 107 C PRO A 11 -8.373 4.622 -0.747 1.00 0.00 C ATOM 108 O PRO A 11 -7.884 4.359 -1.846 1.00 0.00 O ATOM 109 CB PRO A 11 -7.598 2.569 0.472 1.00 0.00 C ATOM 110 CG PRO A 11 -7.786 1.454 -0.498 1.00 0.00 C ATOM 111 CD PRO A 11 -9.272 1.285 -0.654 1.00 0.00 C ATOM 0 HA PRO A 11 -9.134 4.023 1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.646 3.076 0.313 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.598 2.204 1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.317 1.686 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.325 0.537 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.537 0.966 -1.662 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.665 0.534 0.031 1.00 0.00 H new ATOM 119 N THR A 12 -8.580 5.866 -0.326 1.00 0.00 N ATOM 120 CA THR A 12 -8.237 7.018 -1.151 1.00 0.00 C ATOM 121 C THR A 12 -7.044 7.772 -0.574 1.00 0.00 C ATOM 122 O THR A 12 -6.460 7.357 0.428 1.00 0.00 O ATOM 123 CB THR A 12 -9.427 7.987 -1.285 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.750 8.545 -0.007 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.644 7.274 -1.855 1.00 0.00 C ATOM 0 H THR A 12 -8.983 6.101 0.581 1.00 0.00 H new ATOM 0 HA THR A 12 -7.978 6.634 -2.138 1.00 0.00 H new ATOM 0 HB THR A 12 -9.141 8.787 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.506 9.161 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.471 7.978 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.404 6.875 -2.841 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.930 6.457 -1.193 1.00 0.00 H new ATOM 133 N LEU A 13 -6.688 8.882 -1.211 1.00 0.00 N ATOM 134 CA LEU A 13 -5.564 9.695 -0.760 1.00 0.00 C ATOM 135 C LEU A 13 -4.323 8.836 -0.539 1.00 0.00 C ATOM 136 O LEU A 13 -3.683 8.908 0.511 1.00 0.00 O ATOM 137 CB LEU A 13 -5.926 10.429 0.533 1.00 0.00 C ATOM 138 CG LEU A 13 -6.971 11.538 0.405 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.556 11.880 1.767 1.00 0.00 C ATOM 140 CD2 LEU A 13 -6.362 12.773 -0.242 1.00 0.00 C ATOM 0 H LEU A 13 -7.161 9.240 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.343 10.427 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.289 9.696 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.016 10.861 0.949 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.778 11.179 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.298 12.671 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.030 10.995 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.760 12.219 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.120 13.552 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.536 13.135 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.993 12.519 -1.236 1.00 0.00 H new ATOM 152 N LEU A 14 -3.988 8.024 -1.536 1.00 0.00 N ATOM 153 CA LEU A 14 -2.822 7.152 -1.452 1.00 0.00 C ATOM 154 C LEU A 14 -1.574 7.860 -1.970 1.00 0.00 C ATOM 155 O LEU A 14 -1.443 8.117 -3.168 1.00 0.00 O ATOM 156 CB LEU A 14 -3.062 5.869 -2.250 1.00 0.00 C ATOM 157 CG LEU A 14 -2.040 4.750 -2.045 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.864 4.920 -2.995 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.562 4.722 -0.601 1.00 0.00 C ATOM 0 H LEU A 14 -4.507 7.952 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.664 6.897 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.049 5.484 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.085 6.123 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.523 3.798 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.147 4.115 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.221 4.889 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.380 5.879 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.835 3.920 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.096 5.676 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.411 4.550 0.060 1.00 0.00 H new ATOM 171 N THR A 15 -0.656 8.172 -1.060 1.00 0.00 N ATOM 172 CA THR A 15 0.582 8.849 -1.425 1.00 0.00 C ATOM 173 C THR A 15 1.768 8.279 -0.653 1.00 0.00 C ATOM 174 O THR A 15 1.606 7.732 0.437 1.00 0.00 O ATOM 175 CB THR A 15 0.493 10.364 -1.161 1.00 0.00 C ATOM 176 OG1 THR A 15 1.424 11.062 -1.995 1.00 0.00 O ATOM 177 CG2 THR A 15 0.778 10.677 0.300 1.00 0.00 C ATOM 0 H THR A 15 -0.747 7.966 -0.065 1.00 0.00 H new ATOM 0 HA THR A 15 0.731 8.682 -2.492 1.00 0.00 H new ATOM 0 HB THR A 15 -0.520 10.692 -1.395 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.360 12.025 -1.822 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.709 11.753 0.462 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.049 10.168 0.930 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.781 10.335 0.557 1.00 0.00 H new ATOM 185 N VAL A 16 2.960 8.413 -1.226 1.00 0.00 N ATOM 186 CA VAL A 16 4.173 7.913 -0.591 1.00 0.00 C ATOM 187 C VAL A 16 4.602 8.815 0.561 1.00 0.00 C ATOM 188 O VAL A 16 4.943 9.980 0.357 1.00 0.00 O ATOM 189 CB VAL A 16 5.331 7.804 -1.601 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.509 7.066 -0.985 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.864 7.112 -2.873 1.00 0.00 C ATOM 0 H VAL A 16 3.111 8.864 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 16 3.942 6.920 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 16 5.660 8.810 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.317 6.999 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.857 7.607 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.198 6.063 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.694 7.043 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.508 6.110 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.054 7.686 -3.323 1.00 0.00 H new ATOM 201 N ASP A 17 4.583 8.268 1.771 1.00 0.00 N ATOM 202 CA ASP A 17 4.972 9.023 2.957 1.00 0.00 C ATOM 203 C ASP A 17 6.471 9.303 2.956 1.00 0.00 C ATOM 204 O ASP A 17 6.897 10.457 2.977 1.00 0.00 O ATOM 205 CB ASP A 17 4.584 8.259 4.224 1.00 0.00 C ATOM 206 CG ASP A 17 4.594 9.140 5.458 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.664 9.262 6.091 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.533 9.707 5.790 1.00 0.00 O ATOM 0 H ASP A 17 4.303 7.305 1.957 1.00 0.00 H new ATOM 0 HA ASP A 17 4.443 9.976 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.590 7.830 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.274 7.428 4.369 1.00 0.00 H new ATOM 213 N SER A 18 7.267 8.238 2.932 1.00 0.00 N ATOM 214 CA SER A 18 8.719 8.369 2.934 1.00 0.00 C ATOM 215 C SER A 18 9.375 7.146 2.300 1.00 0.00 C ATOM 216 O SER A 18 9.029 6.007 2.617 1.00 0.00 O ATOM 217 CB SER A 18 9.234 8.556 4.362 1.00 0.00 C ATOM 218 OG SER A 18 8.650 9.695 4.970 1.00 0.00 O ATOM 0 H SER A 18 6.930 7.275 2.911 1.00 0.00 H new ATOM 0 HA SER A 18 8.981 9.247 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.008 7.668 4.953 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.319 8.662 4.350 1.00 0.00 H new ATOM 0 HG SER A 18 7.766 9.461 5.321 1.00 0.00 H new ATOM 224 N VAL A 19 10.325 7.390 1.403 1.00 0.00 N ATOM 225 CA VAL A 19 11.031 6.309 0.724 1.00 0.00 C ATOM 226 C VAL A 19 12.479 6.220 1.193 1.00 0.00 C ATOM 227 O VAL A 19 13.206 7.214 1.194 1.00 0.00 O ATOM 228 CB VAL A 19 11.009 6.497 -0.804 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.010 5.566 -1.471 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.608 6.265 -1.349 1.00 0.00 C ATOM 0 H VAL A 19 10.624 8.326 1.129 1.00 0.00 H new ATOM 0 HA VAL A 19 10.512 5.384 0.976 1.00 0.00 H new ATOM 0 HB VAL A 19 11.297 7.524 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.980 5.713 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.012 5.785 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.756 4.532 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.611 6.402 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.289 5.250 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.918 6.977 -0.895 1.00 0.00 H new ATOM 240 N THR A 20 12.894 5.021 1.592 1.00 0.00 N ATOM 241 CA THR A 20 14.255 4.801 2.064 1.00 0.00 C ATOM 242 C THR A 20 14.932 3.679 1.286 1.00 0.00 C ATOM 243 O THR A 20 14.291 2.698 0.907 1.00 0.00 O ATOM 244 CB THR A 20 14.280 4.457 3.565 1.00 0.00 C ATOM 245 OG1 THR A 20 13.180 5.088 4.231 1.00 0.00 O ATOM 246 CG2 THR A 20 15.587 4.904 4.201 1.00 0.00 C ATOM 0 H THR A 20 12.306 4.187 1.597 1.00 0.00 H new ATOM 0 HA THR A 20 14.800 5.731 1.903 1.00 0.00 H new ATOM 0 HB THR A 20 14.195 3.375 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.202 4.863 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.581 4.650 5.261 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.421 4.400 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.697 5.982 4.087 1.00 0.00 H new ATOM 254 N ASP A 21 16.231 3.829 1.051 1.00 0.00 N ATOM 255 CA ASP A 21 16.996 2.826 0.319 1.00 0.00 C ATOM 256 C ASP A 21 16.838 1.449 0.956 1.00 0.00 C ATOM 257 O ASP A 21 17.059 0.425 0.310 1.00 0.00 O ATOM 258 CB ASP A 21 18.475 3.215 0.274 1.00 0.00 C ATOM 259 CG ASP A 21 19.231 2.758 1.506 1.00 0.00 C ATOM 260 OD1 ASP A 21 19.098 3.414 2.560 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.955 1.745 1.417 1.00 0.00 O ATOM 0 H ASP A 21 16.776 4.635 1.357 1.00 0.00 H new ATOM 0 HA ASP A 21 16.609 2.781 -0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.935 2.780 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.560 4.298 0.180 1.00 0.00 H new ATOM 266 N THR A 22 16.454 1.433 2.229 1.00 0.00 N ATOM 267 CA THR A 22 16.268 0.183 2.955 1.00 0.00 C ATOM 268 C THR A 22 14.824 -0.297 2.863 1.00 0.00 C ATOM 269 O THR A 22 14.562 -1.447 2.506 1.00 0.00 O ATOM 270 CB THR A 22 16.654 0.332 4.439 1.00 0.00 C ATOM 271 OG1 THR A 22 16.037 1.501 4.990 1.00 0.00 O ATOM 272 CG2 THR A 22 18.164 0.426 4.599 1.00 0.00 C ATOM 0 H THR A 22 16.266 2.272 2.778 1.00 0.00 H new ATOM 0 HA THR A 22 16.923 -0.553 2.489 1.00 0.00 H new ATOM 0 HB THR A 22 16.303 -0.551 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.286 1.588 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.412 0.531 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.629 -0.478 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.535 1.293 4.052 1.00 0.00 H new ATOM 280 N THR A 23 13.889 0.590 3.186 1.00 0.00 N ATOM 281 CA THR A 23 12.471 0.256 3.140 1.00 0.00 C ATOM 282 C THR A 23 11.639 1.451 2.687 1.00 0.00 C ATOM 283 O THR A 23 12.099 2.592 2.730 1.00 0.00 O ATOM 284 CB THR A 23 11.960 -0.218 4.514 1.00 0.00 C ATOM 285 OG1 THR A 23 12.121 0.824 5.483 1.00 0.00 O ATOM 286 CG2 THR A 23 12.709 -1.461 4.969 1.00 0.00 C ATOM 0 H THR A 23 14.088 1.545 3.482 1.00 0.00 H new ATOM 0 HA THR A 23 12.361 -0.555 2.420 1.00 0.00 H new ATOM 0 HB THR A 23 10.902 -0.464 4.419 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.792 0.515 6.353 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.332 -1.778 5.941 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.560 -2.261 4.244 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.773 -1.236 5.048 1.00 0.00 H new ATOM 294 N VAL A 24 10.412 1.181 2.252 1.00 0.00 N ATOM 295 CA VAL A 24 9.515 2.235 1.792 1.00 0.00 C ATOM 296 C VAL A 24 8.377 2.458 2.781 1.00 0.00 C ATOM 297 O VAL A 24 7.965 1.538 3.490 1.00 0.00 O ATOM 298 CB VAL A 24 8.923 1.904 0.410 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.026 1.789 -0.631 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.104 0.623 0.474 1.00 0.00 C ATOM 0 H VAL A 24 10.017 0.242 2.209 1.00 0.00 H new ATOM 0 HA VAL A 24 10.109 3.146 1.715 1.00 0.00 H new ATOM 0 HB VAL A 24 8.261 2.718 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.588 1.555 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.566 2.734 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.716 0.996 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.693 0.404 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.742 -0.201 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.289 0.747 1.187 1.00 0.00 H new ATOM 310 N THR A 25 7.869 3.686 2.825 1.00 0.00 N ATOM 311 CA THR A 25 6.778 4.031 3.727 1.00 0.00 C ATOM 312 C THR A 25 5.617 4.665 2.969 1.00 0.00 C ATOM 313 O THR A 25 5.782 5.688 2.306 1.00 0.00 O ATOM 314 CB THR A 25 7.246 4.999 4.830 1.00 0.00 C ATOM 315 OG1 THR A 25 8.452 4.512 5.430 1.00 0.00 O ATOM 316 CG2 THR A 25 6.174 5.162 5.897 1.00 0.00 C ATOM 0 H THR A 25 8.197 4.459 2.245 1.00 0.00 H new ATOM 0 HA THR A 25 6.443 3.102 4.188 1.00 0.00 H new ATOM 0 HB THR A 25 7.434 5.971 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.744 5.134 6.129 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.527 5.850 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.266 5.560 5.443 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.960 4.193 6.348 1.00 0.00 H new ATOM 324 N MET A 26 4.443 4.051 3.072 1.00 0.00 N ATOM 325 CA MET A 26 3.254 4.557 2.397 1.00 0.00 C ATOM 326 C MET A 26 2.242 5.090 3.406 1.00 0.00 C ATOM 327 O MET A 26 2.378 4.873 4.610 1.00 0.00 O ATOM 328 CB MET A 26 2.615 3.457 1.549 1.00 0.00 C ATOM 329 CG MET A 26 3.515 2.950 0.433 1.00 0.00 C ATOM 330 SD MET A 26 3.960 4.244 -0.742 1.00 0.00 S ATOM 331 CE MET A 26 2.434 4.402 -1.666 1.00 0.00 C ATOM 0 H MET A 26 4.290 3.202 3.617 1.00 0.00 H new ATOM 0 HA MET A 26 3.558 5.377 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.346 2.622 2.195 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.690 3.836 1.115 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.423 2.530 0.866 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.011 2.142 -0.096 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.157 5.454 -1.734 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.572 3.998 -2.669 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.643 3.851 -1.158 1.00 0.00 H new ATOM 341 N ARG A 27 1.227 5.789 2.907 1.00 0.00 N ATOM 342 CA ARG A 27 0.193 6.354 3.766 1.00 0.00 C ATOM 343 C ARG A 27 -1.144 6.420 3.034 1.00 0.00 C ATOM 344 O ARG A 27 -1.188 6.566 1.813 1.00 0.00 O ATOM 345 CB ARG A 27 0.599 7.752 4.236 1.00 0.00 C ATOM 346 CG ARG A 27 0.476 8.817 3.159 1.00 0.00 C ATOM 347 CD ARG A 27 0.296 10.201 3.762 1.00 0.00 C ATOM 348 NE ARG A 27 1.574 10.859 4.014 1.00 0.00 N ATOM 349 CZ ARG A 27 1.705 12.170 4.186 1.00 0.00 C ATOM 350 NH1 ARG A 27 0.640 12.958 4.133 1.00 0.00 N ATOM 351 NH2 ARG A 27 2.903 12.695 4.411 1.00 0.00 N ATOM 0 H ARG A 27 1.099 5.977 1.913 1.00 0.00 H new ATOM 0 HA ARG A 27 0.081 5.705 4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.021 8.034 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.630 7.722 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.367 8.806 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.372 8.587 2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.301 10.815 3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.260 10.120 4.696 1.00 0.00 H new ATOM 0 HE ARG A 27 2.413 10.281 4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.282 12.558 3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.743 13.964 4.265 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.725 12.092 4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.002 13.702 4.543 1.00 0.00 H new ATOM 365 N TRP A 28 -2.231 6.310 3.790 1.00 0.00 N ATOM 366 CA TRP A 28 -3.570 6.357 3.213 1.00 0.00 C ATOM 367 C TRP A 28 -4.603 6.740 4.267 1.00 0.00 C ATOM 368 O TRP A 28 -4.367 6.588 5.465 1.00 0.00 O ATOM 369 CB TRP A 28 -3.930 5.004 2.597 1.00 0.00 C ATOM 370 CG TRP A 28 -4.105 3.916 3.613 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.211 3.681 4.379 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.145 2.918 3.974 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.995 2.597 5.195 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.736 2.110 4.965 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.844 2.626 3.555 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.069 1.032 5.542 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.183 1.557 4.129 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.796 0.770 5.113 1.00 0.00 C ATOM 0 H TRP A 28 -2.212 6.188 4.802 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.576 7.117 2.432 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.851 5.108 2.024 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.149 4.713 1.895 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.121 4.262 4.348 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.664 2.216 5.864 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.364 3.225 2.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.540 0.424 6.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.177 1.324 3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.253 -0.060 5.541 1.00 0.00 H new ATOM 389 N ARG A 29 -5.749 7.238 3.812 1.00 0.00 N ATOM 390 CA ARG A 29 -6.818 7.643 4.717 1.00 0.00 C ATOM 391 C ARG A 29 -8.048 6.759 4.536 1.00 0.00 C ATOM 392 O ARG A 29 -8.238 6.121 3.500 1.00 0.00 O ATOM 393 CB ARG A 29 -7.190 9.108 4.476 1.00 0.00 C ATOM 394 CG ARG A 29 -6.374 10.087 5.304 1.00 0.00 C ATOM 395 CD ARG A 29 -7.077 11.430 5.431 1.00 0.00 C ATOM 396 NE ARG A 29 -6.140 12.513 5.720 1.00 0.00 N ATOM 397 CZ ARG A 29 -5.518 12.655 6.885 1.00 0.00 C ATOM 398 NH1 ARG A 29 -5.731 11.787 7.864 1.00 0.00 N ATOM 399 NH2 ARG A 29 -4.680 13.666 7.071 1.00 0.00 N ATOM 0 H ARG A 29 -5.960 7.370 2.823 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.458 7.529 5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.056 9.339 3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.247 9.248 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.201 9.670 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.397 10.229 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.610 11.649 4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.823 11.375 6.224 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.953 13.197 4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.374 11.008 7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.252 11.898 8.758 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.513 14.335 6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.203 13.775 7.966 1.00 0.00 H new ATOM 413 N PRO A 30 -8.904 6.718 5.568 1.00 0.00 N ATOM 414 CA PRO A 30 -10.131 5.915 5.547 1.00 0.00 C ATOM 415 C PRO A 30 -11.170 6.469 4.580 1.00 0.00 C ATOM 416 O PRO A 30 -11.092 7.615 4.135 1.00 0.00 O ATOM 417 CB PRO A 30 -10.639 6.007 6.989 1.00 0.00 C ATOM 418 CG PRO A 30 -10.074 7.284 7.509 1.00 0.00 C ATOM 419 CD PRO A 30 -8.741 7.452 6.834 1.00 0.00 C ATOM 0 HA PRO A 30 -9.945 4.895 5.210 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.728 6.012 7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.304 5.156 7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.733 8.122 7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.961 7.248 8.593 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.507 8.503 6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.931 7.040 7.436 1.00 0.00 H new ATOM 427 N PRO A 31 -12.170 5.640 4.244 1.00 0.00 N ATOM 428 CA PRO A 31 -13.245 6.026 3.326 1.00 0.00 C ATOM 429 C PRO A 31 -14.181 7.066 3.934 1.00 0.00 C ATOM 430 O PRO A 31 -14.420 7.068 5.142 1.00 0.00 O ATOM 431 CB PRO A 31 -13.992 4.713 3.081 1.00 0.00 C ATOM 432 CG PRO A 31 -13.714 3.888 4.290 1.00 0.00 C ATOM 433 CD PRO A 31 -12.327 4.261 4.736 1.00 0.00 C ATOM 0 HA PRO A 31 -12.858 6.488 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.061 4.883 2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.639 4.220 2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.443 4.088 5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.777 2.824 4.060 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.225 4.207 5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.576 3.595 4.312 1.00 0.00 H new ATOM 441 N ASP A 32 -14.707 7.947 3.091 1.00 0.00 N ATOM 442 CA ASP A 32 -15.618 8.990 3.546 1.00 0.00 C ATOM 443 C ASP A 32 -16.506 8.482 4.677 1.00 0.00 C ATOM 444 O ASP A 32 -16.710 9.170 5.678 1.00 0.00 O ATOM 445 CB ASP A 32 -16.483 9.483 2.384 1.00 0.00 C ATOM 446 CG ASP A 32 -17.523 10.494 2.826 1.00 0.00 C ATOM 447 OD1 ASP A 32 -18.431 10.114 3.594 1.00 0.00 O ATOM 448 OD2 ASP A 32 -17.431 11.665 2.402 1.00 0.00 O ATOM 0 H ASP A 32 -14.518 7.960 2.089 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.021 9.820 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.844 9.932 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.982 8.632 1.919 1.00 0.00 H new ATOM 453 N HIS A 33 -17.034 7.273 4.511 1.00 0.00 N ATOM 454 CA HIS A 33 -17.901 6.672 5.518 1.00 0.00 C ATOM 455 C HIS A 33 -17.759 5.153 5.520 1.00 0.00 C ATOM 456 O HIS A 33 -17.179 4.573 4.602 1.00 0.00 O ATOM 457 CB HIS A 33 -19.358 7.060 5.264 1.00 0.00 C ATOM 458 CG HIS A 33 -19.825 6.755 3.874 1.00 0.00 C ATOM 459 ND1 HIS A 33 -19.321 7.385 2.756 1.00 0.00 N ATOM 460 CD2 HIS A 33 -20.755 5.881 3.424 1.00 0.00 C ATOM 461 CE1 HIS A 33 -19.921 6.912 1.678 1.00 0.00 C ATOM 462 NE2 HIS A 33 -20.796 5.997 2.057 1.00 0.00 N ATOM 0 H HIS A 33 -16.876 6.691 3.689 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.598 7.049 6.495 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.995 6.535 5.976 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.480 8.126 5.454 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -21.354 5.216 4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -19.729 7.220 0.661 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -21.403 5.464 1.435 1.00 0.00 H new ATOM 471 N ILE A 34 -18.292 4.515 6.557 1.00 0.00 N ATOM 472 CA ILE A 34 -18.225 3.064 6.677 1.00 0.00 C ATOM 473 C ILE A 34 -19.582 2.426 6.400 1.00 0.00 C ATOM 474 O ILE A 34 -20.597 2.831 6.965 1.00 0.00 O ATOM 475 CB ILE A 34 -17.746 2.637 8.078 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.446 3.358 8.438 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.555 1.129 8.135 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.244 2.859 7.667 1.00 0.00 C ATOM 0 H ILE A 34 -18.775 4.980 7.326 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.506 2.719 5.934 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.507 2.915 8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.569 4.425 8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.258 3.239 9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.216 0.843 9.131 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.501 0.634 7.917 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.810 0.828 7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.358 3.415 7.974 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.095 1.799 7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.411 3.003 6.600 1.00 0.00 H new ATOM 517 N GLY A 38 -19.726 -2.752 7.908 1.00 0.00 N ATOM 518 CA GLY A 38 -18.587 -2.406 8.738 1.00 0.00 C ATOM 519 C GLY A 38 -17.291 -2.358 7.953 1.00 0.00 C ATOM 520 O GLY A 38 -17.297 -2.440 6.724 1.00 0.00 O ATOM 0 HA2 GLY A 38 -18.762 -1.436 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.494 -3.134 9.543 1.00 0.00 H new ATOM 524 N LEU A 39 -16.176 -2.223 8.663 1.00 0.00 N ATOM 525 CA LEU A 39 -14.866 -2.162 8.025 1.00 0.00 C ATOM 526 C LEU A 39 -13.871 -3.073 8.737 1.00 0.00 C ATOM 527 O LEU A 39 -13.745 -3.035 9.961 1.00 0.00 O ATOM 528 CB LEU A 39 -14.345 -0.723 8.021 1.00 0.00 C ATOM 529 CG LEU A 39 -12.857 -0.549 7.716 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.608 -0.611 6.217 1.00 0.00 C ATOM 531 CD2 LEU A 39 -12.345 0.764 8.290 1.00 0.00 C ATOM 0 H LEU A 39 -16.153 -2.154 9.680 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.974 -2.506 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.915 -0.153 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.550 -0.281 8.996 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.311 -1.366 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.543 -0.485 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.937 -1.577 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.165 0.185 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.284 0.871 8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.896 1.594 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.487 0.769 9.371 1.00 0.00 H new ATOM 543 N ASP A 40 -13.164 -3.889 7.962 1.00 0.00 N ATOM 544 CA ASP A 40 -12.178 -4.807 8.518 1.00 0.00 C ATOM 545 C ASP A 40 -10.774 -4.455 8.034 1.00 0.00 C ATOM 546 O ASP A 40 -10.351 -4.884 6.962 1.00 0.00 O ATOM 547 CB ASP A 40 -12.517 -6.248 8.133 1.00 0.00 C ATOM 548 CG ASP A 40 -13.968 -6.594 8.405 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.601 -5.894 9.223 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.470 -7.564 7.800 1.00 0.00 O ATOM 0 H ASP A 40 -13.256 -3.933 6.947 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.203 -4.714 9.604 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.303 -6.398 7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.874 -6.930 8.688 1.00 0.00 H new ATOM 555 N GLY A 41 -10.058 -3.670 8.833 1.00 0.00 N ATOM 556 CA GLY A 41 -8.711 -3.272 8.468 1.00 0.00 C ATOM 557 C GLY A 41 -8.545 -3.089 6.972 1.00 0.00 C ATOM 558 O GLY A 41 -9.482 -2.689 6.281 1.00 0.00 O ATOM 0 H GLY A 41 -10.386 -3.303 9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.461 -2.340 8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.005 -4.025 8.819 1.00 0.00 H new ATOM 562 N TYR A 42 -7.350 -3.381 6.471 1.00 0.00 N ATOM 563 CA TYR A 42 -7.063 -3.243 5.049 1.00 0.00 C ATOM 564 C TYR A 42 -6.040 -4.280 4.596 1.00 0.00 C ATOM 565 O TYR A 42 -5.617 -5.134 5.375 1.00 0.00 O ATOM 566 CB TYR A 42 -6.547 -1.835 4.745 1.00 0.00 C ATOM 567 CG TYR A 42 -7.303 -0.744 5.469 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.946 -0.359 6.756 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.376 -0.098 4.867 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.634 0.636 7.421 1.00 0.00 C ATOM 571 CE2 TYR A 42 -9.070 0.900 5.524 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.695 1.263 6.801 1.00 0.00 C ATOM 573 OH TYR A 42 -9.384 2.256 7.459 1.00 0.00 O ATOM 0 H TYR A 42 -6.564 -3.715 7.029 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.990 -3.410 4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.493 -1.777 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.610 -1.658 3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.116 -0.847 7.244 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.673 -0.381 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.343 0.922 8.421 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.901 1.393 5.041 1.00 0.00 H new ATOM 0 HH TYR A 42 -10.101 2.594 6.883 1.00 0.00 H new ATOM 583 N VAL A 43 -5.646 -4.199 3.329 1.00 0.00 N ATOM 584 CA VAL A 43 -4.671 -5.128 2.770 1.00 0.00 C ATOM 585 C VAL A 43 -3.678 -4.406 1.866 1.00 0.00 C ATOM 586 O VAL A 43 -4.047 -3.495 1.124 1.00 0.00 O ATOM 587 CB VAL A 43 -5.359 -6.248 1.967 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.329 -7.223 1.419 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.383 -6.970 2.831 1.00 0.00 C ATOM 0 H VAL A 43 -5.987 -3.499 2.670 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.137 -5.570 3.611 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.882 -5.798 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.834 -8.007 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.638 -6.692 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.775 -7.670 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.860 -7.758 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.885 -7.409 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.139 -6.261 3.169 1.00 0.00 H new ATOM 599 N LEU A 44 -2.418 -4.819 1.933 1.00 0.00 N ATOM 600 CA LEU A 44 -1.370 -4.212 1.120 1.00 0.00 C ATOM 601 C LEU A 44 -0.612 -5.273 0.328 1.00 0.00 C ATOM 602 O LEU A 44 -0.312 -6.349 0.844 1.00 0.00 O ATOM 603 CB LEU A 44 -0.399 -3.429 2.005 1.00 0.00 C ATOM 604 CG LEU A 44 0.675 -2.623 1.274 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.184 -1.211 0.993 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.962 -2.590 2.085 1.00 0.00 C ATOM 0 H LEU A 44 -2.097 -5.572 2.542 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.842 -3.527 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.977 -2.746 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.096 -4.131 2.676 1.00 0.00 H new ATOM 0 HG LEU A 44 0.882 -3.110 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.962 -0.652 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.710 -1.254 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.052 -0.714 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.715 -2.012 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.770 -2.127 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.324 -3.607 2.235 1.00 0.00 H new ATOM 618 N GLU A 45 -0.303 -4.959 -0.927 1.00 0.00 N ATOM 619 CA GLU A 45 0.422 -5.886 -1.788 1.00 0.00 C ATOM 620 C GLU A 45 1.347 -5.133 -2.740 1.00 0.00 C ATOM 621 O GLU A 45 0.961 -4.125 -3.331 1.00 0.00 O ATOM 622 CB GLU A 45 -0.558 -6.747 -2.588 1.00 0.00 C ATOM 623 CG GLU A 45 -1.707 -7.292 -1.756 1.00 0.00 C ATOM 624 CD GLU A 45 -2.886 -6.340 -1.695 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.753 -5.270 -1.066 1.00 0.00 O ATOM 626 OE2 GLU A 45 -3.942 -6.667 -2.276 1.00 0.00 O ATOM 0 H GLU A 45 -0.543 -4.072 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 45 1.028 -6.532 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.963 -6.155 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.016 -7.581 -3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.034 -8.244 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.355 -7.493 -0.744 1.00 0.00 H new ATOM 633 N TYR A 46 2.571 -5.630 -2.882 1.00 0.00 N ATOM 634 CA TYR A 46 3.554 -5.004 -3.758 1.00 0.00 C ATOM 635 C TYR A 46 4.090 -6.004 -4.778 1.00 0.00 C ATOM 636 O TYR A 46 4.376 -7.154 -4.445 1.00 0.00 O ATOM 637 CB TYR A 46 4.708 -4.428 -2.936 1.00 0.00 C ATOM 638 CG TYR A 46 5.643 -5.481 -2.385 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.286 -6.246 -1.281 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.882 -5.712 -2.968 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.137 -7.208 -0.774 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.739 -6.673 -2.468 1.00 0.00 C ATOM 643 CZ TYR A 46 7.362 -7.418 -1.371 1.00 0.00 C ATOM 644 OH TYR A 46 8.212 -8.377 -0.869 1.00 0.00 O ATOM 0 H TYR A 46 2.906 -6.465 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 46 3.060 -4.194 -4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.278 -3.738 -3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.300 -3.848 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.327 -6.085 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.181 -5.130 -3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.845 -7.793 0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.699 -6.840 -2.934 1.00 0.00 H new ATOM 0 HH TYR A 46 9.033 -8.399 -1.404 1.00 0.00 H new ATOM 654 N CYS A 47 4.223 -5.556 -6.022 1.00 0.00 N ATOM 655 CA CYS A 47 4.725 -6.411 -7.092 1.00 0.00 C ATOM 656 C CYS A 47 6.160 -6.043 -7.454 1.00 0.00 C ATOM 657 O CYS A 47 6.430 -4.934 -7.917 1.00 0.00 O ATOM 658 CB CYS A 47 3.829 -6.297 -8.326 1.00 0.00 C ATOM 659 SG CYS A 47 4.528 -7.043 -9.817 1.00 0.00 S ATOM 0 H CYS A 47 3.990 -4.607 -6.314 1.00 0.00 H new ATOM 0 HA CYS A 47 4.713 -7.441 -6.737 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.871 -6.770 -8.111 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.628 -5.243 -8.520 1.00 0.00 H new ATOM 0 HG CYS A 47 5.802 -6.791 -9.872 1.00 0.00 H new ATOM 665 N PHE A 48 7.078 -6.980 -7.240 1.00 0.00 N ATOM 666 CA PHE A 48 8.486 -6.753 -7.541 1.00 0.00 C ATOM 667 C PHE A 48 8.702 -6.590 -9.043 1.00 0.00 C ATOM 668 O PHE A 48 7.779 -6.776 -9.836 1.00 0.00 O ATOM 669 CB PHE A 48 9.335 -7.913 -7.016 1.00 0.00 C ATOM 670 CG PHE A 48 10.722 -7.504 -6.609 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.940 -6.841 -5.413 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.807 -7.784 -7.424 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.215 -6.464 -5.035 1.00 0.00 C ATOM 674 CE2 PHE A 48 13.085 -7.410 -7.051 1.00 0.00 C ATOM 675 CZ PHE A 48 13.289 -6.748 -5.856 1.00 0.00 C ATOM 0 H PHE A 48 6.872 -7.904 -6.859 1.00 0.00 H new ATOM 0 HA PHE A 48 8.794 -5.832 -7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.832 -8.363 -6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.403 -8.681 -7.786 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.104 -6.616 -4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.653 -8.300 -8.360 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.371 -5.948 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.923 -7.635 -7.694 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.286 -6.453 -5.564 1.00 0.00 H new ATOM 685 N GLU A 49 9.926 -6.240 -9.425 1.00 0.00 N ATOM 686 CA GLU A 49 10.262 -6.050 -10.831 1.00 0.00 C ATOM 687 C GLU A 49 10.875 -7.317 -11.420 1.00 0.00 C ATOM 688 O GLU A 49 11.448 -7.295 -12.508 1.00 0.00 O ATOM 689 CB GLU A 49 11.233 -4.879 -10.992 1.00 0.00 C ATOM 690 CG GLU A 49 12.576 -5.104 -10.318 1.00 0.00 C ATOM 691 CD GLU A 49 13.579 -5.784 -11.228 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.666 -5.394 -12.411 1.00 0.00 O ATOM 693 OE2 GLU A 49 14.277 -6.707 -10.758 1.00 0.00 O ATOM 0 H GLU A 49 10.701 -6.082 -8.781 1.00 0.00 H new ATOM 0 HA GLU A 49 9.342 -5.827 -11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.395 -4.696 -12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.776 -3.980 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.979 -4.146 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.432 -5.711 -9.424 1.00 0.00 H new ATOM 700 N GLY A 50 10.748 -8.423 -10.691 1.00 0.00 N ATOM 701 CA GLY A 50 11.294 -9.684 -11.156 1.00 0.00 C ATOM 702 C GLY A 50 10.249 -10.780 -11.221 1.00 0.00 C ATOM 703 O GLY A 50 10.532 -11.894 -11.663 1.00 0.00 O ATOM 0 H GLY A 50 10.277 -8.467 -9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.731 -9.544 -12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.100 -9.994 -10.492 1.00 0.00 H new ATOM 707 N THR A 51 9.036 -10.465 -10.777 1.00 0.00 N ATOM 708 CA THR A 51 7.945 -11.432 -10.783 1.00 0.00 C ATOM 709 C THR A 51 6.672 -10.821 -11.357 1.00 0.00 C ATOM 710 O THR A 51 6.366 -9.655 -11.109 1.00 0.00 O ATOM 711 CB THR A 51 7.654 -11.960 -9.366 1.00 0.00 C ATOM 712 OG1 THR A 51 6.997 -10.949 -8.592 1.00 0.00 O ATOM 713 CG2 THR A 51 8.940 -12.381 -8.671 1.00 0.00 C ATOM 0 H THR A 51 8.784 -9.548 -10.409 1.00 0.00 H new ATOM 0 HA THR A 51 8.263 -12.262 -11.414 1.00 0.00 H new ATOM 0 HB THR A 51 7.004 -12.831 -9.453 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.028 -11.095 -8.618 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.709 -12.750 -7.672 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.423 -13.170 -9.247 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.610 -11.525 -8.596 1.00 0.00 H new ATOM 721 N GLU A 52 5.933 -11.616 -12.125 1.00 0.00 N ATOM 722 CA GLU A 52 4.693 -11.151 -12.734 1.00 0.00 C ATOM 723 C GLU A 52 3.507 -11.388 -11.802 1.00 0.00 C ATOM 724 O GLU A 52 2.376 -11.567 -12.253 1.00 0.00 O ATOM 725 CB GLU A 52 4.456 -11.861 -14.069 1.00 0.00 C ATOM 726 CG GLU A 52 5.258 -11.277 -15.219 1.00 0.00 C ATOM 727 CD GLU A 52 4.997 -9.797 -15.420 1.00 0.00 C ATOM 728 OE1 GLU A 52 3.825 -9.427 -15.647 1.00 0.00 O ATOM 729 OE2 GLU A 52 5.962 -9.008 -15.350 1.00 0.00 O ATOM 0 H GLU A 52 6.172 -12.584 -12.340 1.00 0.00 H new ATOM 0 HA GLU A 52 4.785 -10.080 -12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.708 -12.916 -13.960 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.395 -11.811 -14.314 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.320 -11.433 -15.032 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.014 -11.813 -16.136 1.00 0.00 H new ATOM 736 N ASP A 53 3.776 -11.388 -10.501 1.00 0.00 N ATOM 737 CA ASP A 53 2.733 -11.603 -9.505 1.00 0.00 C ATOM 738 C ASP A 53 2.882 -10.626 -8.343 1.00 0.00 C ATOM 739 O ASP A 53 3.991 -10.209 -8.009 1.00 0.00 O ATOM 740 CB ASP A 53 2.779 -13.041 -8.988 1.00 0.00 C ATOM 741 CG ASP A 53 2.628 -14.061 -10.100 1.00 0.00 C ATOM 742 OD1 ASP A 53 1.511 -14.182 -10.647 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.626 -14.738 -10.424 1.00 0.00 O ATOM 0 H ASP A 53 4.707 -11.242 -10.112 1.00 0.00 H new ATOM 0 HA ASP A 53 1.769 -11.428 -9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.724 -13.208 -8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.985 -13.186 -8.255 1.00 0.00 H new ATOM 748 N TRP A 54 1.760 -10.265 -7.732 1.00 0.00 N ATOM 749 CA TRP A 54 1.766 -9.337 -6.607 1.00 0.00 C ATOM 750 C TRP A 54 2.041 -10.069 -5.298 1.00 0.00 C ATOM 751 O TRP A 54 1.431 -11.100 -5.014 1.00 0.00 O ATOM 752 CB TRP A 54 0.430 -8.597 -6.522 1.00 0.00 C ATOM 753 CG TRP A 54 0.218 -7.622 -7.641 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.372 -7.874 -8.846 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.597 -6.242 -7.657 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.383 -6.732 -9.611 1.00 0.00 N ATOM 757 CE2 TRP A 54 0.205 -5.717 -8.904 1.00 0.00 C ATOM 758 CE3 TRP A 54 1.227 -5.397 -6.739 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.424 -4.387 -9.254 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.444 -4.078 -7.088 1.00 0.00 C ATOM 761 CH2 TRP A 54 1.043 -3.583 -8.336 1.00 0.00 C ATOM 0 H TRP A 54 0.834 -10.601 -7.997 1.00 0.00 H new ATOM 0 HA TRP A 54 2.564 -8.613 -6.770 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.381 -9.325 -6.526 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.377 -8.066 -5.572 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.771 -8.829 -9.153 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.767 -6.653 -10.553 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.539 -5.769 -5.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.116 -4.004 -10.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.931 -3.417 -6.387 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.226 -2.547 -8.578 1.00 0.00 H new ATOM 772 N ILE A 55 2.960 -9.529 -4.505 1.00 0.00 N ATOM 773 CA ILE A 55 3.313 -10.132 -3.226 1.00 0.00 C ATOM 774 C ILE A 55 2.548 -9.478 -2.081 1.00 0.00 C ATOM 775 O ILE A 55 2.437 -8.254 -2.013 1.00 0.00 O ATOM 776 CB ILE A 55 4.824 -10.020 -2.949 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.619 -10.761 -4.026 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.152 -10.569 -1.568 1.00 0.00 C ATOM 779 CD1 ILE A 55 5.984 -9.895 -5.211 1.00 0.00 C ATOM 0 H ILE A 55 3.473 -8.676 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 55 3.040 -11.186 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 55 5.106 -8.967 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.532 -11.160 -3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.036 -11.613 -4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.223 -10.483 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.610 -10.001 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.858 -11.617 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.546 -10.486 -5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.075 -9.517 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.594 -9.057 -4.875 1.00 0.00 H new ATOM 791 N VAL A 56 2.022 -10.303 -1.180 1.00 0.00 N ATOM 792 CA VAL A 56 1.269 -9.805 -0.035 1.00 0.00 C ATOM 793 C VAL A 56 2.200 -9.424 1.110 1.00 0.00 C ATOM 794 O VAL A 56 3.092 -10.187 1.480 1.00 0.00 O ATOM 795 CB VAL A 56 0.256 -10.851 0.468 1.00 0.00 C ATOM 796 CG1 VAL A 56 -0.473 -10.338 1.700 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.729 -11.210 -0.635 1.00 0.00 C ATOM 0 H VAL A 56 2.104 -11.319 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 56 0.729 -8.920 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 56 0.799 -11.754 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.184 -11.090 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.248 -10.135 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.006 -9.420 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.438 -11.950 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.268 -10.315 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.187 -11.622 -1.486 1.00 0.00 H new ATOM 807 N ALA A 57 1.986 -8.237 1.669 1.00 0.00 N ATOM 808 CA ALA A 57 2.804 -7.754 2.775 1.00 0.00 C ATOM 809 C ALA A 57 2.130 -8.028 4.116 1.00 0.00 C ATOM 810 O ALA A 57 2.693 -8.701 4.977 1.00 0.00 O ATOM 811 CB ALA A 57 3.082 -6.267 2.615 1.00 0.00 C ATOM 0 H ALA A 57 1.253 -7.592 1.374 1.00 0.00 H new ATOM 0 HA ALA A 57 3.751 -8.293 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.694 -5.920 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.612 -6.095 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.139 -5.720 2.604 1.00 0.00 H new ATOM 817 N ASN A 58 0.923 -7.499 4.285 1.00 0.00 N ATOM 818 CA ASN A 58 0.173 -7.686 5.522 1.00 0.00 C ATOM 819 C ASN A 58 -0.132 -9.162 5.756 1.00 0.00 C ATOM 820 O ASN A 58 -0.629 -9.853 4.866 1.00 0.00 O ATOM 821 CB ASN A 58 -1.129 -6.884 5.479 1.00 0.00 C ATOM 822 CG ASN A 58 -2.097 -7.408 4.436 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.721 -7.641 3.287 1.00 0.00 O ATOM 824 ND2 ASN A 58 -3.350 -7.596 4.832 1.00 0.00 N ATOM 0 H ASN A 58 0.443 -6.938 3.581 1.00 0.00 H new ATOM 0 HA ASN A 58 0.786 -7.326 6.348 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.604 -6.915 6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.902 -5.839 5.268 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.046 -7.947 4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.617 -7.389 5.794 1.00 0.00 H new ATOM 831 N LYS A 59 0.167 -9.639 6.959 1.00 0.00 N ATOM 832 CA LYS A 59 -0.077 -11.033 7.312 1.00 0.00 C ATOM 833 C LYS A 59 -1.564 -11.361 7.235 1.00 0.00 C ATOM 834 O LYS A 59 -1.955 -12.383 6.670 1.00 0.00 O ATOM 835 CB LYS A 59 0.448 -11.322 8.720 1.00 0.00 C ATOM 836 CG LYS A 59 1.896 -11.781 8.748 1.00 0.00 C ATOM 837 CD LYS A 59 2.855 -10.604 8.698 1.00 0.00 C ATOM 838 CE LYS A 59 3.185 -10.095 10.093 1.00 0.00 C ATOM 839 NZ LYS A 59 4.342 -9.157 10.081 1.00 0.00 N ATOM 0 H LYS A 59 0.579 -9.081 7.707 1.00 0.00 H new ATOM 0 HA LYS A 59 0.453 -11.662 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.349 -10.422 9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.176 -12.088 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.077 -12.361 9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.085 -12.442 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.773 -10.902 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.414 -9.799 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.314 -9.592 10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.409 -10.940 10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.536 -8.832 11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.180 -9.644 9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.119 -8.338 9.480 1.00 0.00 H new ATOM 853 N ASP A 60 -2.388 -10.489 7.804 1.00 0.00 N ATOM 854 CA ASP A 60 -3.833 -10.686 7.797 1.00 0.00 C ATOM 855 C ASP A 60 -4.554 -9.403 7.394 1.00 0.00 C ATOM 856 O ASP A 60 -5.165 -9.331 6.327 1.00 0.00 O ATOM 857 CB ASP A 60 -4.314 -11.144 9.175 1.00 0.00 C ATOM 858 CG ASP A 60 -3.844 -12.544 9.516 1.00 0.00 C ATOM 859 OD1 ASP A 60 -2.672 -12.695 9.921 1.00 0.00 O ATOM 860 OD2 ASP A 60 -4.648 -13.489 9.378 1.00 0.00 O ATOM 0 H ASP A 60 -2.081 -9.639 8.276 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.066 -11.459 7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.953 -10.448 9.932 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.403 -11.112 9.206 1.00 0.00 H new ATOM 865 N LEU A 61 -4.480 -8.394 8.255 1.00 0.00 N ATOM 866 CA LEU A 61 -5.127 -7.113 7.989 1.00 0.00 C ATOM 867 C LEU A 61 -4.351 -5.968 8.632 1.00 0.00 C ATOM 868 O LEU A 61 -3.808 -6.111 9.728 1.00 0.00 O ATOM 869 CB LEU A 61 -6.564 -7.127 8.512 1.00 0.00 C ATOM 870 CG LEU A 61 -7.626 -7.645 7.541 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.833 -8.172 8.302 1.00 0.00 C ATOM 872 CD2 LEU A 61 -8.042 -6.550 6.571 1.00 0.00 C ATOM 0 H LEU A 61 -3.979 -8.438 9.142 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.141 -6.958 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.595 -7.739 9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.833 -6.112 8.806 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.196 -8.466 6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.578 -8.536 7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.523 -8.988 8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.263 -7.370 8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.798 -6.937 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.453 -5.708 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.174 -6.219 6.001 1.00 0.00 H new ATOM 884 N ILE A 62 -4.305 -4.832 7.944 1.00 0.00 N ATOM 885 CA ILE A 62 -3.599 -3.661 8.450 1.00 0.00 C ATOM 886 C ILE A 62 -4.521 -2.782 9.287 1.00 0.00 C ATOM 887 O ILE A 62 -5.547 -2.303 8.803 1.00 0.00 O ATOM 888 CB ILE A 62 -3.008 -2.821 7.302 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.294 -3.724 6.295 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.054 -1.771 7.851 1.00 0.00 C ATOM 891 CD1 ILE A 62 -2.267 -3.161 4.891 1.00 0.00 C ATOM 0 H ILE A 62 -4.748 -4.698 7.035 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.786 -4.028 9.076 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.823 -2.310 6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.270 -3.891 6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.786 -4.696 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.645 -1.186 7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.592 -1.112 8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.241 -2.262 8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.745 -3.854 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.288 -3.020 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.748 -2.202 4.893 1.00 0.00 H new ATOM 903 N ASP A 63 -4.149 -2.572 10.544 1.00 0.00 N ATOM 904 CA ASP A 63 -4.941 -1.747 11.449 1.00 0.00 C ATOM 905 C ASP A 63 -4.637 -0.267 11.242 1.00 0.00 C ATOM 906 O ASP A 63 -5.535 0.533 10.979 1.00 0.00 O ATOM 907 CB ASP A 63 -4.668 -2.138 12.902 1.00 0.00 C ATOM 908 CG ASP A 63 -5.246 -1.143 13.888 1.00 0.00 C ATOM 909 OD1 ASP A 63 -4.868 0.046 13.824 1.00 0.00 O ATOM 910 OD2 ASP A 63 -6.078 -1.552 14.725 1.00 0.00 O ATOM 0 H ASP A 63 -3.303 -2.962 10.960 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.994 -1.918 11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.091 -3.124 13.095 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.592 -2.216 13.058 1.00 0.00 H new ATOM 915 N LYS A 64 -3.363 0.093 11.363 1.00 0.00 N ATOM 916 CA LYS A 64 -2.938 1.477 11.190 1.00 0.00 C ATOM 917 C LYS A 64 -3.229 1.961 9.773 1.00 0.00 C ATOM 918 O LYS A 64 -3.638 1.183 8.910 1.00 0.00 O ATOM 919 CB LYS A 64 -1.444 1.615 11.491 1.00 0.00 C ATOM 920 CG LYS A 64 -1.138 1.825 12.964 1.00 0.00 C ATOM 921 CD LYS A 64 -0.993 0.502 13.698 1.00 0.00 C ATOM 922 CE LYS A 64 0.331 -0.172 13.375 1.00 0.00 C ATOM 923 NZ LYS A 64 0.242 -1.654 13.495 1.00 0.00 N ATOM 0 H LYS A 64 -2.606 -0.556 11.580 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.501 2.095 11.890 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.928 0.719 11.145 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.043 2.454 10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.219 2.402 13.067 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.935 2.411 13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.064 0.671 14.772 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.815 -0.159 13.425 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.636 0.093 12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.103 0.201 14.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.164 -2.077 13.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.024 -1.908 14.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.476 -2.013 12.834 1.00 0.00 H new ATOM 937 N THR A 65 -3.013 3.252 9.537 1.00 0.00 N ATOM 938 CA THR A 65 -3.251 3.840 8.225 1.00 0.00 C ATOM 939 C THR A 65 -1.957 3.947 7.428 1.00 0.00 C ATOM 940 O THR A 65 -1.888 4.661 6.427 1.00 0.00 O ATOM 941 CB THR A 65 -3.885 5.238 8.343 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.270 5.967 9.411 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.383 5.135 8.590 1.00 0.00 C ATOM 0 H THR A 65 -2.673 3.910 10.238 1.00 0.00 H new ATOM 0 HA THR A 65 -3.942 3.179 7.703 1.00 0.00 H new ATOM 0 HB THR A 65 -3.723 5.765 7.403 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.678 6.856 9.478 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.808 6.135 8.670 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.853 4.606 7.761 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.562 4.590 9.517 1.00 0.00 H new ATOM 951 N LYS A 66 -0.930 3.231 7.875 1.00 0.00 N ATOM 952 CA LYS A 66 0.363 3.243 7.202 1.00 0.00 C ATOM 953 C LYS A 66 0.983 1.850 7.189 1.00 0.00 C ATOM 954 O LYS A 66 0.531 0.952 7.900 1.00 0.00 O ATOM 955 CB LYS A 66 1.311 4.228 7.892 1.00 0.00 C ATOM 956 CG LYS A 66 1.145 5.662 7.421 1.00 0.00 C ATOM 957 CD LYS A 66 2.278 6.546 7.915 1.00 0.00 C ATOM 958 CE LYS A 66 2.028 8.009 7.585 1.00 0.00 C ATOM 959 NZ LYS A 66 1.130 8.656 8.581 1.00 0.00 N ATOM 0 H LYS A 66 -0.969 2.635 8.702 1.00 0.00 H new ATOM 0 HA LYS A 66 0.205 3.561 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.144 4.186 8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.340 3.913 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.112 5.687 6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.193 6.055 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.389 6.429 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.216 6.225 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.978 8.542 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.585 8.087 6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.984 9.652 8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.214 8.164 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.564 8.604 9.525 1.00 0.00 H new ATOM 973 N PHE A 67 2.021 1.676 6.377 1.00 0.00 N ATOM 974 CA PHE A 67 2.703 0.391 6.273 1.00 0.00 C ATOM 975 C PHE A 67 4.048 0.546 5.568 1.00 0.00 C ATOM 976 O PHE A 67 4.165 1.269 4.578 1.00 0.00 O ATOM 977 CB PHE A 67 1.831 -0.613 5.516 1.00 0.00 C ATOM 978 CG PHE A 67 2.371 -2.014 5.541 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.439 -2.373 4.734 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.811 -2.972 6.371 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.939 -3.662 4.755 1.00 0.00 C ATOM 982 CE2 PHE A 67 2.307 -4.262 6.396 1.00 0.00 C ATOM 983 CZ PHE A 67 3.371 -4.607 5.586 1.00 0.00 C ATOM 0 H PHE A 67 2.408 2.408 5.782 1.00 0.00 H new ATOM 0 HA PHE A 67 2.881 0.019 7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.830 -0.610 5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.733 -0.288 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.886 -1.638 4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.978 -2.708 7.005 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.773 -3.929 4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.863 -4.999 7.048 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.758 -5.615 5.603 1.00 0.00 H new ATOM 993 N THR A 68 5.063 -0.139 6.087 1.00 0.00 N ATOM 994 CA THR A 68 6.400 -0.077 5.511 1.00 0.00 C ATOM 995 C THR A 68 6.875 -1.459 5.076 1.00 0.00 C ATOM 996 O THR A 68 6.977 -2.376 5.893 1.00 0.00 O ATOM 997 CB THR A 68 7.415 0.512 6.508 1.00 0.00 C ATOM 998 OG1 THR A 68 7.051 1.857 6.840 1.00 0.00 O ATOM 999 CG2 THR A 68 8.820 0.491 5.926 1.00 0.00 C ATOM 0 H THR A 68 4.984 -0.743 6.905 1.00 0.00 H new ATOM 0 HA THR A 68 6.339 0.575 4.639 1.00 0.00 H new ATOM 0 HB THR A 68 7.403 -0.101 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.610 2.482 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.519 0.912 6.648 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.105 -0.537 5.701 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.844 1.083 5.011 1.00 0.00 H new ATOM 1007 N ILE A 69 7.166 -1.602 3.788 1.00 0.00 N ATOM 1008 CA ILE A 69 7.632 -2.872 3.246 1.00 0.00 C ATOM 1009 C ILE A 69 9.062 -3.166 3.689 1.00 0.00 C ATOM 1010 O ILE A 69 9.998 -2.461 3.313 1.00 0.00 O ATOM 1011 CB ILE A 69 7.570 -2.885 1.708 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.134 -2.656 1.231 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.110 -4.201 1.167 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.046 -2.061 -0.157 1.00 0.00 C ATOM 0 H ILE A 69 7.087 -0.853 3.100 1.00 0.00 H new ATOM 0 HA ILE A 69 6.967 -3.644 3.634 1.00 0.00 H new ATOM 0 HB ILE A 69 8.193 -2.075 1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.599 -3.606 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.627 -1.995 1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.060 -4.195 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.146 -4.326 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.512 -5.026 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.999 -1.926 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.552 -1.096 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.523 -2.732 -0.871 1.00 0.00 H new ATOM 1026 N THR A 70 9.224 -4.215 4.490 1.00 0.00 N ATOM 1027 CA THR A 70 10.538 -4.604 4.983 1.00 0.00 C ATOM 1028 C THR A 70 11.194 -5.623 4.058 1.00 0.00 C ATOM 1029 O THR A 70 10.584 -6.628 3.694 1.00 0.00 O ATOM 1030 CB THR A 70 10.453 -5.197 6.403 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.500 -6.265 6.431 1.00 0.00 O ATOM 1032 CG2 THR A 70 10.056 -4.130 7.411 1.00 0.00 C ATOM 0 H THR A 70 8.460 -4.810 4.811 1.00 0.00 H new ATOM 0 HA THR A 70 11.145 -3.699 5.010 1.00 0.00 H new ATOM 0 HB THR A 70 11.437 -5.581 6.673 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.495 -6.722 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.002 -4.572 8.406 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.799 -3.332 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.082 -3.720 7.143 1.00 0.00 H new ATOM 1040 N GLY A 71 12.441 -5.358 3.682 1.00 0.00 N ATOM 1041 CA GLY A 71 13.158 -6.263 2.802 1.00 0.00 C ATOM 1042 C GLY A 71 13.107 -5.824 1.352 1.00 0.00 C ATOM 1043 O GLY A 71 12.420 -6.437 0.534 1.00 0.00 O ATOM 0 H GLY A 71 12.968 -4.533 3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.198 -6.328 3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.734 -7.263 2.891 1.00 0.00 H new ATOM 1047 N LEU A 72 13.834 -4.759 1.032 1.00 0.00 N ATOM 1048 CA LEU A 72 13.867 -4.237 -0.330 1.00 0.00 C ATOM 1049 C LEU A 72 15.290 -3.865 -0.736 1.00 0.00 C ATOM 1050 O LEU A 72 15.958 -3.063 -0.083 1.00 0.00 O ATOM 1051 CB LEU A 72 12.955 -3.015 -0.451 1.00 0.00 C ATOM 1052 CG LEU A 72 11.452 -3.291 -0.378 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.677 -1.989 -0.237 1.00 0.00 C ATOM 1054 CD2 LEU A 72 10.990 -4.059 -1.608 1.00 0.00 C ATOM 0 H LEU A 72 14.408 -4.240 1.697 1.00 0.00 H new ATOM 0 HA LEU A 72 13.509 -5.018 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.214 -2.313 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.168 -2.520 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 72 11.256 -3.904 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.610 -2.205 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.987 -1.478 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.878 -1.351 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.918 -4.246 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.199 -3.473 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.522 -5.009 -1.665 1.00 0.00 H new ATOM 1066 N PRO A 73 15.765 -4.459 -1.840 1.00 0.00 N ATOM 1067 CA PRO A 73 17.112 -4.203 -2.360 1.00 0.00 C ATOM 1068 C PRO A 73 17.254 -2.798 -2.935 1.00 0.00 C ATOM 1069 O PRO A 73 16.405 -2.340 -3.700 1.00 0.00 O ATOM 1070 CB PRO A 73 17.271 -5.252 -3.464 1.00 0.00 C ATOM 1071 CG PRO A 73 15.879 -5.560 -3.897 1.00 0.00 C ATOM 1072 CD PRO A 73 15.023 -5.425 -2.668 1.00 0.00 C ATOM 0 HA PRO A 73 17.870 -4.268 -1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.867 -4.868 -4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.777 -6.144 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.552 -4.873 -4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.813 -6.566 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.025 -5.062 -2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.899 -6.380 -2.158 1.00 0.00 H new ATOM 1080 N THR A 74 18.334 -2.118 -2.563 1.00 0.00 N ATOM 1081 CA THR A 74 18.587 -0.765 -3.042 1.00 0.00 C ATOM 1082 C THR A 74 18.604 -0.714 -4.565 1.00 0.00 C ATOM 1083 O THR A 74 19.040 -1.660 -5.222 1.00 0.00 O ATOM 1084 CB THR A 74 19.925 -0.221 -2.507 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.927 -0.246 -1.075 1.00 0.00 O ATOM 1086 CG2 THR A 74 20.166 1.200 -2.995 1.00 0.00 C ATOM 0 H THR A 74 19.047 -2.482 -1.931 1.00 0.00 H new ATOM 0 HA THR A 74 17.774 -0.141 -2.670 1.00 0.00 H new ATOM 0 HB THR A 74 20.726 -0.858 -2.882 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.034 -0.017 -0.743 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.117 1.563 -2.604 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.194 1.211 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.360 1.846 -2.646 1.00 0.00 H new ATOM 1094 N ASP A 75 18.127 0.394 -5.121 1.00 0.00 N ATOM 1095 CA ASP A 75 18.089 0.568 -6.568 1.00 0.00 C ATOM 1096 C ASP A 75 17.130 -0.430 -7.211 1.00 0.00 C ATOM 1097 O ASP A 75 17.383 -0.932 -8.305 1.00 0.00 O ATOM 1098 CB ASP A 75 19.489 0.403 -7.160 1.00 0.00 C ATOM 1099 CG ASP A 75 19.617 1.040 -8.530 1.00 0.00 C ATOM 1100 OD1 ASP A 75 18.918 2.043 -8.785 1.00 0.00 O ATOM 1101 OD2 ASP A 75 20.417 0.536 -9.347 1.00 0.00 O ATOM 0 H ASP A 75 17.761 1.185 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 75 17.731 1.576 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 75 20.220 0.849 -6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.727 -0.658 -7.232 1.00 0.00 H new ATOM 1106 N ALA A 76 16.030 -0.713 -6.522 1.00 0.00 N ATOM 1107 CA ALA A 76 15.033 -1.651 -7.025 1.00 0.00 C ATOM 1108 C ALA A 76 13.686 -0.965 -7.225 1.00 0.00 C ATOM 1109 O ALA A 76 13.325 -0.053 -6.481 1.00 0.00 O ATOM 1110 CB ALA A 76 14.891 -2.830 -6.075 1.00 0.00 C ATOM 0 H ALA A 76 15.806 -0.306 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 76 15.372 -2.018 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.144 -3.522 -6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.849 -3.343 -5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.579 -2.471 -5.094 1.00 0.00 H new ATOM 1116 N LYS A 77 12.946 -1.408 -8.236 1.00 0.00 N ATOM 1117 CA LYS A 77 11.638 -0.837 -8.535 1.00 0.00 C ATOM 1118 C LYS A 77 10.521 -1.779 -8.096 1.00 0.00 C ATOM 1119 O LYS A 77 10.593 -2.988 -8.317 1.00 0.00 O ATOM 1120 CB LYS A 77 11.515 -0.546 -10.032 1.00 0.00 C ATOM 1121 CG LYS A 77 12.419 0.577 -10.509 1.00 0.00 C ATOM 1122 CD LYS A 77 12.097 0.984 -11.937 1.00 0.00 C ATOM 1123 CE LYS A 77 13.117 1.973 -12.479 1.00 0.00 C ATOM 1124 NZ LYS A 77 12.590 2.729 -13.649 1.00 0.00 N ATOM 0 H LYS A 77 13.230 -2.161 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 77 11.542 0.097 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.750 -1.452 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.480 -0.290 -10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.309 1.439 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.460 0.259 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.074 0.099 -12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.102 1.429 -11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.398 2.672 -11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.022 1.439 -12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.315 3.392 -13.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.345 2.064 -14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.741 3.259 -13.366 1.00 0.00 H new ATOM 1138 N ILE A 78 9.489 -1.217 -7.475 1.00 0.00 N ATOM 1139 CA ILE A 78 8.356 -2.007 -7.009 1.00 0.00 C ATOM 1140 C ILE A 78 7.058 -1.212 -7.098 1.00 0.00 C ATOM 1141 O ILE A 78 7.062 0.016 -7.006 1.00 0.00 O ATOM 1142 CB ILE A 78 8.558 -2.477 -5.556 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.684 -1.274 -4.620 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.789 -3.366 -5.454 1.00 0.00 C ATOM 1145 CD1 ILE A 78 8.229 -1.558 -3.206 1.00 0.00 C ATOM 0 H ILE A 78 9.414 -0.218 -7.283 1.00 0.00 H new ATOM 0 HA ILE A 78 8.290 -2.879 -7.659 1.00 0.00 H new ATOM 0 HB ILE A 78 7.687 -3.058 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.724 -0.947 -4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.098 -0.448 -5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.919 -3.690 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.662 -4.238 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.669 -2.807 -5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.347 -0.661 -2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.180 -1.856 -3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.831 -2.363 -2.785 1.00 0.00 H new ATOM 1157 N PHE A 79 5.948 -1.920 -7.276 1.00 0.00 N ATOM 1158 CA PHE A 79 4.641 -1.281 -7.376 1.00 0.00 C ATOM 1159 C PHE A 79 3.867 -1.418 -6.069 1.00 0.00 C ATOM 1160 O PHE A 79 3.960 -2.436 -5.383 1.00 0.00 O ATOM 1161 CB PHE A 79 3.837 -1.894 -8.525 1.00 0.00 C ATOM 1162 CG PHE A 79 4.539 -1.825 -9.851 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.462 -0.682 -10.631 1.00 0.00 C ATOM 1164 CD2 PHE A 79 5.274 -2.902 -10.318 1.00 0.00 C ATOM 1165 CE1 PHE A 79 5.107 -0.615 -11.852 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.921 -2.841 -11.538 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.836 -1.696 -12.306 1.00 0.00 C ATOM 0 H PHE A 79 5.927 -2.937 -7.354 1.00 0.00 H new ATOM 0 HA PHE A 79 4.797 -0.221 -7.576 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.621 -2.936 -8.291 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.879 -1.380 -8.603 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.892 0.166 -10.281 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.342 -3.800 -9.722 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.041 0.282 -12.450 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.492 -3.687 -11.890 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.339 -1.646 -13.260 1.00 0.00 H new ATOM 1177 N VAL A 80 3.102 -0.385 -5.729 1.00 0.00 N ATOM 1178 CA VAL A 80 2.311 -0.389 -4.505 1.00 0.00 C ATOM 1179 C VAL A 80 0.820 -0.309 -4.814 1.00 0.00 C ATOM 1180 O VAL A 80 0.405 0.383 -5.743 1.00 0.00 O ATOM 1181 CB VAL A 80 2.696 0.784 -3.583 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.753 0.860 -2.393 1.00 0.00 C ATOM 1183 CG2 VAL A 80 4.139 0.646 -3.122 1.00 0.00 C ATOM 0 H VAL A 80 3.014 0.466 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 80 2.524 -1.328 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 80 2.605 1.712 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.041 1.694 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.733 1.009 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.809 -0.069 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.395 1.483 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.258 -0.289 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.799 0.645 -3.989 1.00 0.00 H new ATOM 1193 N ARG A 81 0.020 -1.022 -4.028 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.426 -1.032 -4.218 1.00 0.00 C ATOM 1195 C ARG A 81 -2.144 -1.356 -2.911 1.00 0.00 C ATOM 1196 O ARG A 81 -1.619 -2.082 -2.066 1.00 0.00 O ATOM 1197 CB ARG A 81 -1.813 -2.051 -5.291 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.117 -3.394 -5.136 1.00 0.00 C ATOM 1199 CD ARG A 81 -1.827 -4.484 -5.924 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.865 -5.142 -5.135 1.00 0.00 N ATOM 1201 CZ ARG A 81 -4.139 -4.767 -5.139 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -4.531 -3.745 -5.887 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -5.025 -5.416 -4.394 1.00 0.00 N ATOM 0 H ARG A 81 0.348 -1.600 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.732 -0.038 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.892 -2.205 -5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.576 -1.640 -6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.085 -3.311 -5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.084 -3.668 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.272 -4.052 -6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.099 -5.225 -6.255 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.597 -5.933 -4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.853 -3.244 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.510 -3.460 -5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.728 -6.203 -3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.003 -5.127 -4.398 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.346 -0.813 -2.752 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.137 -1.044 -1.548 1.00 0.00 C ATOM 1219 C VAL A 82 -5.617 -1.192 -1.883 1.00 0.00 C ATOM 1220 O VAL A 82 -6.090 -0.678 -2.897 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.963 0.102 -0.534 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.584 0.045 0.105 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.193 1.447 -1.206 1.00 0.00 C ATOM 0 H VAL A 82 -3.794 -0.210 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.774 -1.971 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.707 -0.017 0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.480 0.862 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.462 -0.906 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.821 0.138 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.066 2.245 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.474 1.578 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.204 1.483 -1.611 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.344 -1.898 -1.024 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.772 -2.114 -1.226 1.00 0.00 C ATOM 1235 C LYS A 83 -8.497 -2.240 0.110 1.00 0.00 C ATOM 1236 O LYS A 83 -7.885 -2.547 1.133 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.005 -3.372 -2.065 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.031 -4.497 -1.760 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.454 -5.797 -2.421 1.00 0.00 C ATOM 1240 CE LYS A 83 -8.421 -6.579 -1.546 1.00 0.00 C ATOM 1241 NZ LYS A 83 -9.838 -6.209 -1.817 1.00 0.00 N ATOM 0 H LYS A 83 -5.968 -2.331 -0.181 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.173 -1.251 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.022 -3.727 -1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.929 -3.113 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.035 -4.220 -2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.966 -4.641 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.923 -5.582 -3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.573 -6.406 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.285 -7.647 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.192 -6.394 -0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.464 -6.980 -1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.075 -5.340 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.966 -6.049 -2.837 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.804 -2.003 0.093 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.613 -2.093 1.303 1.00 0.00 C ATOM 1257 C ALA A 84 -11.333 -3.435 1.382 1.00 0.00 C ATOM 1258 O ALA A 84 -12.002 -3.849 0.436 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.616 -0.950 1.353 1.00 0.00 C ATOM 0 H ALA A 84 -10.326 -1.747 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.948 -2.016 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.213 -1.030 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.084 0.001 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.270 -1.002 0.483 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.190 -4.112 2.518 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.826 -5.407 2.721 1.00 0.00 C ATOM 1267 C VAL A 85 -12.831 -5.352 3.867 1.00 0.00 C ATOM 1268 O VAL A 85 -12.467 -5.091 5.013 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.786 -6.504 3.018 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.474 -7.831 3.299 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.808 -6.636 1.860 1.00 0.00 C ATOM 0 H VAL A 85 -10.639 -3.784 3.311 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.347 -5.652 1.795 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.225 -6.218 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.723 -8.593 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.131 -7.725 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.061 -8.127 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.080 -7.415 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.352 -6.899 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.291 -5.688 1.711 1.00 0.00 H new ATOM 1281 N ASN A 86 -14.097 -5.600 3.549 1.00 0.00 N ATOM 1282 CA ASN A 86 -15.155 -5.579 4.553 1.00 0.00 C ATOM 1283 C ASN A 86 -16.133 -6.730 4.336 1.00 0.00 C ATOM 1284 O ASN A 86 -16.154 -7.349 3.273 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.902 -4.245 4.508 1.00 0.00 C ATOM 1286 CG ASN A 86 -15.017 -3.101 4.050 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -14.615 -2.255 4.849 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.709 -3.072 2.759 1.00 0.00 N ATOM 0 H ASN A 86 -14.415 -5.818 2.605 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.694 -5.697 5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.755 -4.332 3.835 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.298 -4.020 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.116 -2.327 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.065 -3.795 2.133 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.943 -7.010 5.352 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.925 -8.084 5.272 1.00 0.00 C ATOM 1297 C ALA A 87 -18.544 -8.160 3.881 1.00 0.00 C ATOM 1298 O ALA A 87 -18.561 -9.219 3.255 1.00 0.00 O ATOM 1299 CB ALA A 87 -19.008 -7.888 6.323 1.00 0.00 C ATOM 0 H ALA A 87 -16.938 -6.508 6.240 1.00 0.00 H new ATOM 0 HA ALA A 87 -17.412 -9.026 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -19.735 -8.697 6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -18.557 -7.892 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.509 -6.935 6.156 1.00 0.00 H new ATOM 1305 N ALA A 88 -19.053 -7.029 3.402 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.671 -6.968 2.083 1.00 0.00 C ATOM 1307 C ALA A 88 -18.882 -7.786 1.068 1.00 0.00 C ATOM 1308 O ALA A 88 -19.456 -8.537 0.279 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.789 -5.523 1.622 1.00 0.00 C ATOM 0 H ALA A 88 -19.049 -6.143 3.908 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.670 -7.397 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.252 -5.492 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.403 -4.965 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.797 -5.075 1.571 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.561 -7.637 1.092 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.714 -8.368 0.168 1.00 0.00 C ATOM 1317 C GLY A 89 -15.354 -7.722 -0.008 1.00 0.00 C ATOM 1318 O GLY A 89 -14.505 -7.794 0.880 1.00 0.00 O ATOM 0 H GLY A 89 -17.062 -7.023 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.584 -9.388 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -17.210 -8.433 -0.801 1.00 0.00 H new ATOM 1322 N ALA A 90 -15.146 -7.089 -1.158 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.879 -6.428 -1.447 1.00 0.00 C ATOM 1324 C ALA A 90 -14.075 -5.270 -2.421 1.00 0.00 C ATOM 1325 O ALA A 90 -15.019 -5.263 -3.210 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.877 -7.427 -2.006 1.00 0.00 C ATOM 0 H ALA A 90 -15.838 -7.020 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.488 -6.022 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.936 -6.919 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.707 -8.218 -1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -13.270 -7.860 -2.926 1.00 0.00 H new ATOM 1332 N SER A 91 -13.176 -4.293 -2.359 1.00 0.00 N ATOM 1333 CA SER A 91 -13.253 -3.128 -3.232 1.00 0.00 C ATOM 1334 C SER A 91 -12.249 -3.239 -4.376 1.00 0.00 C ATOM 1335 O SER A 91 -11.352 -4.081 -4.348 1.00 0.00 O ATOM 1336 CB SER A 91 -12.994 -1.848 -2.435 1.00 0.00 C ATOM 1337 OG SER A 91 -14.189 -1.363 -1.848 1.00 0.00 O ATOM 0 H SER A 91 -12.386 -4.285 -1.714 1.00 0.00 H new ATOM 0 HA SER A 91 -14.257 -3.088 -3.654 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.256 -2.043 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.572 -1.086 -3.091 1.00 0.00 H new ATOM 0 HG SER A 91 -13.997 -0.546 -1.343 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.408 -2.383 -5.380 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.516 -2.386 -6.534 1.00 0.00 C ATOM 1345 C GLU A 92 -10.083 -2.069 -6.115 1.00 0.00 C ATOM 1346 O GLU A 92 -9.837 -1.388 -5.119 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.991 -1.370 -7.576 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.571 0.058 -7.269 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.773 0.991 -8.447 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -12.784 0.834 -9.162 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -10.919 1.879 -8.652 1.00 0.00 O ATOM 0 H GLU A 92 -13.145 -1.679 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.535 -3.383 -6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.599 -1.653 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.078 -1.413 -7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.143 0.426 -6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.521 0.069 -6.977 1.00 0.00 H new ATOM 1358 N PRO A 93 -9.115 -2.576 -6.892 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.690 -2.361 -6.622 1.00 0.00 C ATOM 1360 C PRO A 93 -7.265 -0.917 -6.866 1.00 0.00 C ATOM 1361 O PRO A 93 -7.835 -0.225 -7.709 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.996 -3.297 -7.615 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.973 -3.461 -8.728 1.00 0.00 C ATOM 1364 CD PRO A 93 -9.336 -3.397 -8.095 1.00 0.00 C ATOM 0 HA PRO A 93 -7.438 -2.559 -5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.058 -2.871 -7.971 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.756 -4.255 -7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.851 -2.675 -9.473 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.825 -4.412 -9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.068 -2.943 -8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.708 -4.390 -7.841 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.260 -0.468 -6.122 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.757 0.894 -6.257 1.00 0.00 C ATOM 1374 C LYS A 94 -4.268 0.893 -6.590 1.00 0.00 C ATOM 1375 O LYS A 94 -3.468 0.258 -5.903 1.00 0.00 O ATOM 1376 CB LYS A 94 -6.001 1.681 -4.967 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.357 3.056 -4.963 1.00 0.00 C ATOM 1378 CD LYS A 94 -6.281 4.106 -5.557 1.00 0.00 C ATOM 1379 CE LYS A 94 -5.883 5.509 -5.124 1.00 0.00 C ATOM 1380 NZ LYS A 94 -6.437 5.853 -3.785 1.00 0.00 N ATOM 0 H LYS A 94 -5.777 -1.028 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.295 1.374 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.075 1.791 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.618 1.107 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.097 3.334 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.427 3.025 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.257 4.039 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.307 3.906 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.796 5.587 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.237 6.231 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.167 6.586 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.857 5.004 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.674 6.209 -3.175 1.00 0.00 H new ATOM 1394 N TYR A 95 -3.903 1.610 -7.648 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.511 1.690 -8.072 1.00 0.00 C ATOM 1396 C TYR A 95 -2.067 3.143 -8.213 1.00 0.00 C ATOM 1397 O TYR A 95 -2.797 3.978 -8.749 1.00 0.00 O ATOM 1398 CB TYR A 95 -2.317 0.956 -9.400 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.004 -0.390 -9.454 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -4.326 -0.501 -9.867 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -2.332 -1.550 -9.092 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -4.958 -1.728 -9.917 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -2.955 -2.782 -9.140 1.00 0.00 C ATOM 1404 CZ TYR A 95 -4.269 -2.866 -9.552 1.00 0.00 C ATOM 1405 OH TYR A 95 -4.895 -4.090 -9.602 1.00 0.00 O ATOM 0 H TYR A 95 -4.552 2.143 -8.227 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.897 1.213 -7.307 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.696 1.580 -10.209 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.250 0.817 -9.576 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.869 0.388 -10.154 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -1.304 -1.488 -8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.986 -1.796 -10.240 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.417 -3.674 -8.857 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.271 -4.789 -9.314 1.00 0.00 H new ATOM 1415 N TYR A 96 -0.866 3.438 -7.728 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.325 4.790 -7.797 1.00 0.00 C ATOM 1417 C TYR A 96 0.021 5.166 -9.234 1.00 0.00 C ATOM 1418 O TYR A 96 -0.086 4.345 -10.145 1.00 0.00 O ATOM 1419 CB TYR A 96 0.919 4.909 -6.914 1.00 0.00 C ATOM 1420 CG TYR A 96 1.271 6.335 -6.554 1.00 0.00 C ATOM 1421 CD1 TYR A 96 0.484 7.065 -5.672 1.00 0.00 C ATOM 1422 CD2 TYR A 96 2.391 6.953 -7.097 1.00 0.00 C ATOM 1423 CE1 TYR A 96 0.801 8.368 -5.340 1.00 0.00 C ATOM 1424 CE2 TYR A 96 2.717 8.255 -6.771 1.00 0.00 C ATOM 1425 CZ TYR A 96 1.919 8.958 -5.892 1.00 0.00 C ATOM 1426 OH TYR A 96 2.240 10.256 -5.565 1.00 0.00 O ATOM 0 H TYR A 96 -0.249 2.759 -7.283 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.088 5.478 -7.434 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.760 4.340 -5.998 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.765 4.454 -7.429 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.392 6.605 -5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.017 6.406 -7.786 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.178 8.921 -4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.591 8.720 -7.202 1.00 0.00 H new ATOM 0 HH TYR A 96 3.056 10.520 -6.038 1.00 0.00 H new ATOM 1436 N SER A 97 0.437 6.413 -9.429 1.00 0.00 N ATOM 1437 CA SER A 97 0.796 6.900 -10.756 1.00 0.00 C ATOM 1438 C SER A 97 2.104 6.273 -11.230 1.00 0.00 C ATOM 1439 O SER A 97 2.117 5.474 -12.166 1.00 0.00 O ATOM 1440 CB SER A 97 0.924 8.425 -10.745 1.00 0.00 C ATOM 1441 OG SER A 97 -0.351 9.044 -10.770 1.00 0.00 O ATOM 0 H SER A 97 0.534 7.104 -8.685 1.00 0.00 H new ATOM 0 HA SER A 97 0.004 6.613 -11.448 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.468 8.741 -9.855 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.507 8.750 -11.607 1.00 0.00 H new ATOM 0 HG SER A 97 -0.242 10.018 -10.761 1.00 0.00 H new ATOM 1447 N GLN A 98 3.201 6.641 -10.576 1.00 0.00 N ATOM 1448 CA GLN A 98 4.513 6.115 -10.930 1.00 0.00 C ATOM 1449 C GLN A 98 5.003 5.121 -9.882 1.00 0.00 C ATOM 1450 O GLN A 98 4.595 5.155 -8.721 1.00 0.00 O ATOM 1451 CB GLN A 98 5.521 7.256 -11.078 1.00 0.00 C ATOM 1452 CG GLN A 98 5.553 7.862 -12.472 1.00 0.00 C ATOM 1453 CD GLN A 98 6.626 8.923 -12.622 1.00 0.00 C ATOM 1454 OE1 GLN A 98 6.802 9.772 -11.748 1.00 0.00 O ATOM 1455 NE2 GLN A 98 7.349 8.880 -13.734 1.00 0.00 N ATOM 0 H GLN A 98 3.207 7.301 -9.798 1.00 0.00 H new ATOM 0 HA GLN A 98 4.422 5.594 -11.883 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.282 8.037 -10.357 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.515 6.886 -10.829 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.723 7.072 -13.204 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.580 8.300 -12.696 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.169 8.158 -14.432 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.085 9.569 -13.891 1.00 0.00 H new ATOM 1464 N PRO A 99 5.899 4.214 -10.298 1.00 0.00 N ATOM 1465 CA PRO A 99 6.464 3.193 -9.410 1.00 0.00 C ATOM 1466 C PRO A 99 7.405 3.788 -8.368 1.00 0.00 C ATOM 1467 O PRO A 99 8.092 4.776 -8.631 1.00 0.00 O ATOM 1468 CB PRO A 99 7.234 2.279 -10.366 1.00 0.00 C ATOM 1469 CG PRO A 99 7.571 3.145 -11.531 1.00 0.00 C ATOM 1470 CD PRO A 99 6.430 4.115 -11.668 1.00 0.00 C ATOM 0 HA PRO A 99 5.693 2.680 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.133 1.882 -9.895 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.629 1.425 -10.670 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.512 3.670 -11.368 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.690 2.551 -12.437 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.768 5.083 -12.039 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.676 3.752 -12.366 1.00 0.00 H new ATOM 1478 N ILE A 100 7.430 3.182 -7.186 1.00 0.00 N ATOM 1479 CA ILE A 100 8.288 3.652 -6.106 1.00 0.00 C ATOM 1480 C ILE A 100 9.639 2.944 -6.129 1.00 0.00 C ATOM 1481 O ILE A 100 9.708 1.715 -6.154 1.00 0.00 O ATOM 1482 CB ILE A 100 7.631 3.434 -4.730 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.241 4.073 -4.698 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.509 4.007 -3.627 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.206 3.308 -5.493 1.00 0.00 C ATOM 0 H ILE A 100 6.866 2.365 -6.952 1.00 0.00 H new ATOM 0 HA ILE A 100 8.437 4.720 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 100 7.522 2.363 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.909 4.149 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.308 5.089 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.031 3.845 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.479 3.511 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.646 5.076 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.245 3.818 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.516 3.254 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.110 2.300 -5.090 1.00 0.00 H new ATOM 1497 N LEU A 101 10.712 3.728 -6.120 1.00 0.00 N ATOM 1498 CA LEU A 101 12.062 3.177 -6.138 1.00 0.00 C ATOM 1499 C LEU A 101 12.695 3.241 -4.752 1.00 0.00 C ATOM 1500 O LEU A 101 12.927 4.323 -4.213 1.00 0.00 O ATOM 1501 CB LEU A 101 12.930 3.936 -7.143 1.00 0.00 C ATOM 1502 CG LEU A 101 14.406 3.538 -7.191 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.606 2.339 -8.106 1.00 0.00 C ATOM 1504 CD2 LEU A 101 15.260 4.710 -7.651 1.00 0.00 C ATOM 0 H LEU A 101 10.673 4.747 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 101 11.997 2.132 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.505 3.798 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.869 5.000 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 101 14.720 3.258 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.662 2.070 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.024 1.496 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.275 2.591 -9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.307 4.408 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.945 5.021 -8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.141 5.542 -6.957 1.00 0.00 H new ATOM 1516 N VAL A 102 12.974 2.074 -4.180 1.00 0.00 N ATOM 1517 CA VAL A 102 13.583 1.997 -2.858 1.00 0.00 C ATOM 1518 C VAL A 102 14.943 2.685 -2.838 1.00 0.00 C ATOM 1519 O VAL A 102 15.973 2.059 -3.091 1.00 0.00 O ATOM 1520 CB VAL A 102 13.753 0.535 -2.402 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.634 -0.229 -3.379 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.330 0.479 -0.996 1.00 0.00 C ATOM 0 H VAL A 102 12.788 1.169 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 102 12.910 2.509 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 102 12.772 0.061 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.743 -1.260 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 102 14.175 -0.218 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.616 0.242 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.443 -0.561 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.303 0.969 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.657 0.989 -0.306 1.00 0.00 H new ATOM 1532 N LYS A 103 14.941 3.979 -2.536 1.00 0.00 N ATOM 1533 CA LYS A 103 16.174 4.755 -2.481 1.00 0.00 C ATOM 1534 C LYS A 103 16.162 5.713 -1.294 1.00 0.00 C ATOM 1535 O LYS A 103 15.102 6.157 -0.855 1.00 0.00 O ATOM 1536 CB LYS A 103 16.366 5.539 -3.781 1.00 0.00 C ATOM 1537 CG LYS A 103 17.730 6.197 -3.899 1.00 0.00 C ATOM 1538 CD LYS A 103 18.786 5.210 -4.369 1.00 0.00 C ATOM 1539 CE LYS A 103 20.183 5.805 -4.281 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.649 5.920 -2.872 1.00 0.00 N ATOM 0 H LYS A 103 14.098 4.513 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 103 17.005 4.061 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.222 4.866 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.595 6.306 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.673 7.031 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.021 6.610 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.736 4.306 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.579 4.916 -5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.879 5.183 -4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.188 6.790 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.667 6.134 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.128 6.684 -2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.478 5.022 -2.375 1.00 0.00 H new ATOM 1554 N GLU A 104 17.348 6.028 -0.782 1.00 0.00 N ATOM 1555 CA GLU A 104 17.472 6.935 0.353 1.00 0.00 C ATOM 1556 C GLU A 104 17.611 8.380 -0.117 1.00 0.00 C ATOM 1557 O GLU A 104 18.064 8.640 -1.232 1.00 0.00 O ATOM 1558 CB GLU A 104 18.676 6.548 1.214 1.00 0.00 C ATOM 1559 CG GLU A 104 19.036 7.589 2.261 1.00 0.00 C ATOM 1560 CD GLU A 104 19.905 8.700 1.704 1.00 0.00 C ATOM 1561 OE1 GLU A 104 20.437 8.535 0.587 1.00 0.00 O ATOM 1562 OE2 GLU A 104 20.052 9.736 2.387 1.00 0.00 O ATOM 0 H GLU A 104 18.235 5.669 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 104 16.565 6.853 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.466 5.601 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.537 6.384 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.122 8.019 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.557 7.104 3.086 1.00 0.00 H new