USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 538 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 89 THR OG1 : rot 66:sc= 0.949 USER MOD Set 1.2: A 90 HIS : no HD1:sc= 0.902 K(o=1.9,f=-5.6) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 166:sc= 1.39 (180deg=-0.0137) USER MOD Set 2.2: A 73 TYR OH : rot -105:sc= 2.1 USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 80 TYR OH : rot 100:sc= 1.28 USER MOD Single : A 2 THR OG1 : rot -55:sc= 1.21 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 1.03 K(o=1,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ -123:sc= 1.2 (180deg=0.206) USER MOD Single : A 9 THR OG1 : rot 160:sc= 0.0414 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -59:sc= -2.2! USER MOD Single : A 27 GLN : amide:sc= 0.0983 K(o=0.098,f=-9.1!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0876 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.1) USER MOD Single : A 59 SER OG : rot -54:sc= 0.656 USER MOD Single : A 68 GLN : amide:sc= 0.772 K(o=0.77,f=-5.9!) USER MOD Single : A 69 MET CE :methyl -173:sc= -0.106 (180deg=-0.158) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 20:sc= 1.15 USER MOD Single : A 91 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0.501) USER MOD ----------------------------------------------------------------- ATOM 12 N THR A 2 15.142 -4.689 -1.338 1.00 0.00 N ATOM 13 CA THR A 2 14.244 -5.201 -2.376 1.00 0.00 C ATOM 14 C THR A 2 13.466 -6.432 -1.900 1.00 0.00 C ATOM 15 O THR A 2 14.062 -7.463 -1.591 1.00 0.00 O ATOM 16 CB THR A 2 15.002 -5.423 -3.692 1.00 0.00 C ATOM 17 OG1 THR A 2 15.777 -4.276 -3.974 1.00 0.00 O ATOM 18 CG2 THR A 2 14.056 -5.727 -4.859 1.00 0.00 C ATOM 0 HA THR A 2 13.487 -4.444 -2.581 1.00 0.00 H new ATOM 0 HB THR A 2 15.648 -6.293 -3.573 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.198 -3.485 -3.988 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.637 -5.877 -5.769 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.486 -6.630 -4.640 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.371 -4.891 -4.999 1.00 0.00 H new ATOM 26 N TYR A 3 12.131 -6.335 -1.836 1.00 0.00 N ATOM 27 CA TYR A 3 11.279 -7.358 -1.240 1.00 0.00 C ATOM 28 C TYR A 3 10.072 -7.651 -2.122 1.00 0.00 C ATOM 29 O TYR A 3 9.711 -6.843 -2.975 1.00 0.00 O ATOM 30 CB TYR A 3 10.793 -6.894 0.132 1.00 0.00 C ATOM 31 CG TYR A 3 11.891 -6.520 1.105 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.816 -7.486 1.541 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.944 -5.217 1.625 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.777 -7.152 2.512 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.867 -4.904 2.635 1.00 0.00 C ATOM 36 CZ TYR A 3 13.784 -5.866 3.079 1.00 0.00 C ATOM 37 OH TYR A 3 14.712 -5.532 4.018 1.00 0.00 O ATOM 0 H TYR A 3 11.614 -5.535 -2.201 1.00 0.00 H new ATOM 0 HA TYR A 3 11.869 -8.269 -1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.138 -6.033 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.190 -7.687 0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.788 -8.484 1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.276 -4.457 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.509 -7.883 2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.870 -3.916 3.072 1.00 0.00 H new ATOM 0 HH TYR A 3 14.572 -4.604 4.301 1.00 0.00 H new ATOM 47 N ASN A 4 9.464 -8.819 -1.905 1.00 0.00 N ATOM 48 CA ASN A 4 8.354 -9.355 -2.672 1.00 0.00 C ATOM 49 C ASN A 4 7.038 -8.855 -2.087 1.00 0.00 C ATOM 50 O ASN A 4 6.445 -9.524 -1.241 1.00 0.00 O ATOM 51 CB ASN A 4 8.449 -10.879 -2.600 1.00 0.00 C ATOM 52 CG ASN A 4 7.466 -11.577 -3.519 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.846 -12.094 -4.565 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.219 -11.609 -3.093 1.00 0.00 N ATOM 0 H ASN A 4 9.752 -9.442 -1.151 1.00 0.00 H new ATOM 0 HA ASN A 4 8.394 -9.030 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.462 -11.187 -2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.270 -11.201 -1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.504 -12.084 -3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.969 -11.158 -2.213 1.00 0.00 H new ATOM 61 N VAL A 5 6.580 -7.687 -2.526 1.00 0.00 N ATOM 62 CA VAL A 5 5.346 -7.112 -2.018 1.00 0.00 C ATOM 63 C VAL A 5 4.177 -7.714 -2.782 1.00 0.00 C ATOM 64 O VAL A 5 4.124 -7.579 -4.006 1.00 0.00 O ATOM 65 CB VAL A 5 5.348 -5.587 -2.167 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.043 -4.990 -1.612 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.554 -4.986 -1.441 1.00 0.00 C ATOM 0 H VAL A 5 7.048 -7.121 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 5 5.254 -7.340 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 5 5.418 -5.343 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.061 -3.906 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.194 -5.398 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.948 -5.242 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.544 -3.902 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.505 -5.241 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.473 -5.387 -1.869 1.00 0.00 H new ATOM 77 N LYS A 6 3.224 -8.333 -2.076 1.00 0.00 N ATOM 78 CA LYS A 6 1.971 -8.712 -2.686 1.00 0.00 C ATOM 79 C LYS A 6 0.906 -7.643 -2.499 1.00 0.00 C ATOM 80 O LYS A 6 0.689 -7.160 -1.387 1.00 0.00 O ATOM 81 CB LYS A 6 1.503 -10.050 -2.143 1.00 0.00 C ATOM 82 CG LYS A 6 0.379 -10.531 -3.057 1.00 0.00 C ATOM 83 CD LYS A 6 -0.350 -11.736 -2.512 1.00 0.00 C ATOM 84 CE LYS A 6 0.575 -12.892 -2.168 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.182 -14.157 -2.270 1.00 0.00 N ATOM 0 H LYS A 6 3.307 -8.575 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 6 2.139 -8.812 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.323 -10.769 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.149 -9.948 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.333 -9.719 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.793 -10.776 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.904 -11.444 -1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.083 -12.072 -3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.428 -12.907 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.972 -12.770 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.137 -14.663 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.174 -13.950 -2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.232 -14.750 -3.018 1.00 0.00 H new ATOM 99 N LEU A 7 0.204 -7.350 -3.599 1.00 0.00 N ATOM 100 CA LEU A 7 -0.989 -6.538 -3.625 1.00 0.00 C ATOM 101 C LEU A 7 -2.146 -7.430 -4.021 1.00 0.00 C ATOM 102 O LEU A 7 -2.231 -7.803 -5.185 1.00 0.00 O ATOM 103 CB LEU A 7 -0.789 -5.380 -4.610 1.00 0.00 C ATOM 104 CG LEU A 7 0.474 -4.550 -4.361 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.655 -3.599 -5.536 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.370 -3.742 -3.070 1.00 0.00 C ATOM 0 H LEU A 7 0.472 -7.691 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.201 -6.101 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.751 -5.782 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.657 -4.723 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 7 1.325 -5.223 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.550 -2.996 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.759 -4.174 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.214 -2.946 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.284 -3.166 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.481 -3.063 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.232 -4.419 -2.227 1.00 0.00 H new ATOM 118 N ILE A 8 -3.014 -7.788 -3.069 1.00 0.00 N ATOM 119 CA ILE A 8 -4.263 -8.464 -3.352 1.00 0.00 C ATOM 120 C ILE A 8 -5.186 -7.391 -3.921 1.00 0.00 C ATOM 121 O ILE A 8 -5.805 -6.610 -3.196 1.00 0.00 O ATOM 122 CB ILE A 8 -4.773 -9.182 -2.087 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.803 -10.300 -1.671 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.190 -9.744 -2.274 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.819 -10.559 -0.166 1.00 0.00 C ATOM 0 H ILE A 8 -2.859 -7.611 -2.077 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.179 -9.267 -4.085 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.819 -8.439 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.065 -11.218 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.792 -10.033 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.508 -10.241 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.877 -8.929 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.192 -10.461 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.117 -11.357 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.530 -9.651 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.822 -10.854 0.142 1.00 0.00 H new ATOM 137 N THR A 9 -5.181 -7.297 -5.247 1.00 0.00 N ATOM 138 CA THR A 9 -6.046 -6.442 -6.024 1.00 0.00 C ATOM 139 C THR A 9 -7.318 -7.226 -6.367 1.00 0.00 C ATOM 140 O THR A 9 -7.248 -8.454 -6.462 1.00 0.00 O ATOM 141 CB THR A 9 -5.305 -6.082 -7.309 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.903 -7.280 -7.950 1.00 0.00 O ATOM 143 CG2 THR A 9 -4.007 -5.314 -7.067 1.00 0.00 C ATOM 0 H THR A 9 -4.543 -7.842 -5.826 1.00 0.00 H new ATOM 0 HA THR A 9 -6.312 -5.538 -5.475 1.00 0.00 H new ATOM 0 HB THR A 9 -5.993 -5.468 -7.890 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.723 -7.100 -8.896 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.533 -5.091 -8.023 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.227 -4.383 -6.545 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.334 -5.920 -6.460 1.00 0.00 H new ATOM 151 N PRO A 10 -8.448 -6.550 -6.628 1.00 0.00 N ATOM 152 CA PRO A 10 -9.718 -7.189 -6.932 1.00 0.00 C ATOM 153 C PRO A 10 -9.640 -8.088 -8.172 1.00 0.00 C ATOM 154 O PRO A 10 -10.343 -9.091 -8.262 1.00 0.00 O ATOM 155 CB PRO A 10 -10.747 -6.078 -7.095 1.00 0.00 C ATOM 156 CG PRO A 10 -10.040 -4.780 -6.761 1.00 0.00 C ATOM 157 CD PRO A 10 -8.565 -5.109 -6.669 1.00 0.00 C ATOM 0 HA PRO A 10 -10.004 -7.858 -6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.136 -6.056 -8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.598 -6.237 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.223 -4.029 -7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.406 -4.369 -5.820 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.027 -4.704 -7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.126 -4.662 -5.777 1.00 0.00 H new ATOM 165 N ASP A 11 -8.761 -7.724 -9.110 1.00 0.00 N ATOM 166 CA ASP A 11 -8.416 -8.474 -10.310 1.00 0.00 C ATOM 167 C ASP A 11 -7.962 -9.889 -9.961 1.00 0.00 C ATOM 168 O ASP A 11 -8.170 -10.825 -10.730 1.00 0.00 O ATOM 169 CB ASP A 11 -7.280 -7.735 -11.026 1.00 0.00 C ATOM 170 CG ASP A 11 -7.831 -6.613 -11.890 1.00 0.00 C ATOM 171 OD1 ASP A 11 -8.130 -5.557 -11.291 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.964 -6.839 -13.112 1.00 0.00 O ATOM 0 H ASP A 11 -8.244 -6.847 -9.044 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.294 -8.551 -10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.585 -7.328 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.717 -8.434 -11.644 1.00 0.00 H new ATOM 177 N GLY A 12 -7.331 -10.020 -8.795 1.00 0.00 N ATOM 178 CA GLY A 12 -6.919 -11.275 -8.214 1.00 0.00 C ATOM 179 C GLY A 12 -5.404 -11.328 -8.060 1.00 0.00 C ATOM 180 O GLY A 12 -4.763 -12.200 -8.644 1.00 0.00 O ATOM 0 H GLY A 12 -7.088 -9.217 -8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.393 -11.403 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.254 -12.100 -8.843 1.00 0.00 H new ATOM 184 N GLU A 13 -4.864 -10.403 -7.256 1.00 0.00 N ATOM 185 CA GLU A 13 -3.457 -10.270 -6.890 1.00 0.00 C ATOM 186 C GLU A 13 -2.575 -9.891 -8.088 1.00 0.00 C ATOM 187 O GLU A 13 -2.961 -10.047 -9.244 1.00 0.00 O ATOM 188 CB GLU A 13 -2.936 -11.548 -6.218 1.00 0.00 C ATOM 189 CG GLU A 13 -3.514 -11.870 -4.830 1.00 0.00 C ATOM 190 CD GLU A 13 -3.349 -13.346 -4.429 1.00 0.00 C ATOM 191 OE1 GLU A 13 -4.274 -14.110 -4.763 1.00 0.00 O ATOM 192 OE2 GLU A 13 -2.333 -13.701 -3.777 1.00 0.00 O ATOM 0 H GLU A 13 -5.439 -9.684 -6.818 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.397 -9.452 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.142 -12.390 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.852 -11.470 -6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.025 -11.242 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.573 -11.613 -4.817 1.00 0.00 H new ATOM 199 N VAL A 14 -1.366 -9.391 -7.799 1.00 0.00 N ATOM 200 CA VAL A 14 -0.351 -9.108 -8.817 1.00 0.00 C ATOM 201 C VAL A 14 1.030 -9.597 -8.371 1.00 0.00 C ATOM 202 O VAL A 14 1.585 -10.505 -8.985 1.00 0.00 O ATOM 203 CB VAL A 14 -0.379 -7.621 -9.220 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.661 -7.300 -9.994 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.334 -6.681 -8.015 1.00 0.00 C ATOM 0 H VAL A 14 -1.066 -9.172 -6.849 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.589 -9.672 -9.719 1.00 0.00 H new ATOM 0 HB VAL A 14 0.509 -7.463 -9.832 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.665 -6.246 -10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.705 -7.912 -10.895 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.527 -7.514 -9.368 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.356 -5.647 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.196 -6.869 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.582 -6.856 -7.451 1.00 0.00 H new ATOM 215 N GLU A 15 1.549 -9.022 -7.282 1.00 0.00 N ATOM 216 CA GLU A 15 2.826 -9.360 -6.652 1.00 0.00 C ATOM 217 C GLU A 15 4.018 -8.800 -7.433 1.00 0.00 C ATOM 218 O GLU A 15 4.066 -8.908 -8.656 1.00 0.00 O ATOM 219 CB GLU A 15 2.931 -10.875 -6.396 1.00 0.00 C ATOM 220 CG GLU A 15 3.602 -11.231 -5.069 1.00 0.00 C ATOM 221 CD GLU A 15 3.377 -12.688 -4.676 1.00 0.00 C ATOM 222 OE1 GLU A 15 2.313 -13.240 -5.029 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.255 -13.209 -3.957 1.00 0.00 O ATOM 0 H GLU A 15 1.064 -8.270 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 15 2.859 -8.873 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.931 -11.307 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.491 -11.334 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.672 -11.039 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.215 -10.582 -4.284 1.00 0.00 H new ATOM 230 N PHE A 16 4.966 -8.156 -6.739 1.00 0.00 N ATOM 231 CA PHE A 16 6.088 -7.490 -7.395 1.00 0.00 C ATOM 232 C PHE A 16 7.253 -7.198 -6.454 1.00 0.00 C ATOM 233 O PHE A 16 7.157 -7.449 -5.251 1.00 0.00 O ATOM 234 CB PHE A 16 5.623 -6.254 -8.147 1.00 0.00 C ATOM 235 CG PHE A 16 5.480 -5.037 -7.284 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.535 -5.010 -6.250 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.400 -3.991 -7.433 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.494 -3.916 -5.379 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.382 -2.922 -6.539 1.00 0.00 C ATOM 240 CZ PHE A 16 5.405 -2.856 -5.535 1.00 0.00 C ATOM 0 H PHE A 16 4.974 -8.085 -5.722 1.00 0.00 H new ATOM 0 HA PHE A 16 6.486 -8.193 -8.127 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.332 -6.039 -8.947 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.664 -6.467 -8.619 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.842 -5.829 -6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.120 -4.013 -8.237 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.762 -3.885 -4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.124 -2.141 -6.620 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.352 -1.995 -4.885 1.00 0.00 H new ATOM 250 N LYS A 17 8.365 -6.705 -7.013 1.00 0.00 N ATOM 251 CA LYS A 17 9.555 -6.373 -6.243 1.00 0.00 C ATOM 252 C LYS A 17 9.528 -4.887 -5.930 1.00 0.00 C ATOM 253 O LYS A 17 9.386 -4.072 -6.833 1.00 0.00 O ATOM 254 CB LYS A 17 10.834 -6.782 -6.993 1.00 0.00 C ATOM 255 CG LYS A 17 11.518 -8.011 -6.370 1.00 0.00 C ATOM 256 CD LYS A 17 10.536 -9.158 -6.124 1.00 0.00 C ATOM 257 CE LYS A 17 11.062 -10.544 -6.511 1.00 0.00 C ATOM 258 NZ LYS A 17 12.214 -10.951 -5.683 1.00 0.00 N ATOM 0 H LYS A 17 8.458 -6.527 -8.013 1.00 0.00 H new ATOM 0 HA LYS A 17 9.559 -6.932 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.588 -6.996 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.532 -5.945 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.316 -8.353 -7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.984 -7.726 -5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.267 -9.168 -5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.621 -8.962 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.263 -11.277 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.354 -10.540 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.538 -11.894 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.987 -10.266 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.930 -10.980 -4.683 1.00 0.00 H new ATOM 272 N CYS A 18 9.663 -4.535 -4.653 1.00 0.00 N ATOM 273 CA CYS A 18 9.686 -3.148 -4.228 1.00 0.00 C ATOM 274 C CYS A 18 10.891 -2.901 -3.341 1.00 0.00 C ATOM 275 O CYS A 18 11.138 -3.689 -2.423 1.00 0.00 O ATOM 276 CB CYS A 18 8.399 -2.785 -3.520 1.00 0.00 C ATOM 277 SG CYS A 18 8.396 -0.978 -3.396 1.00 0.00 S ATOM 0 H CYS A 18 9.759 -5.205 -3.890 1.00 0.00 H new ATOM 0 HA CYS A 18 9.769 -2.508 -5.107 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.532 -3.140 -4.078 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.353 -3.245 -2.533 1.00 0.00 H new ATOM 0 HG CYS A 18 9.448 -0.586 -2.741 1.00 0.00 H new ATOM 283 N ASP A 19 11.649 -1.844 -3.634 1.00 0.00 N ATOM 284 CA ASP A 19 12.786 -1.450 -2.834 1.00 0.00 C ATOM 285 C ASP A 19 12.285 -0.769 -1.565 1.00 0.00 C ATOM 286 O ASP A 19 11.378 0.055 -1.551 1.00 0.00 O ATOM 287 CB ASP A 19 13.771 -0.569 -3.613 1.00 0.00 C ATOM 288 CG ASP A 19 14.343 -1.232 -4.862 1.00 0.00 C ATOM 289 OD1 ASP A 19 14.176 -2.464 -4.999 1.00 0.00 O ATOM 290 OD2 ASP A 19 14.987 -0.500 -5.641 1.00 0.00 O ATOM 0 H ASP A 19 11.482 -1.240 -4.439 1.00 0.00 H new ATOM 0 HA ASP A 19 13.350 -2.342 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.267 0.353 -3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.593 -0.290 -2.954 1.00 0.00 H new ATOM 295 N ASP A 20 12.962 -1.110 -0.490 1.00 0.00 N ATOM 296 CA ASP A 20 12.895 -0.584 0.861 1.00 0.00 C ATOM 297 C ASP A 20 13.011 0.935 0.883 1.00 0.00 C ATOM 298 O ASP A 20 12.469 1.589 1.770 1.00 0.00 O ATOM 299 CB ASP A 20 13.970 -1.278 1.734 1.00 0.00 C ATOM 300 CG ASP A 20 15.263 -1.694 1.022 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.185 -2.274 -0.092 1.00 0.00 O ATOM 302 OD2 ASP A 20 16.376 -1.615 1.581 1.00 0.00 O ATOM 0 H ASP A 20 13.658 -1.853 -0.548 1.00 0.00 H new ATOM 0 HA ASP A 20 11.916 -0.808 1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.231 -0.607 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.525 -2.167 2.181 1.00 0.00 H new ATOM 307 N ASP A 21 13.691 1.483 -0.119 1.00 0.00 N ATOM 308 CA ASP A 21 13.963 2.898 -0.277 1.00 0.00 C ATOM 309 C ASP A 21 13.030 3.540 -1.315 1.00 0.00 C ATOM 310 O ASP A 21 13.251 4.692 -1.682 1.00 0.00 O ATOM 311 CB ASP A 21 15.431 3.055 -0.700 1.00 0.00 C ATOM 312 CG ASP A 21 16.422 2.654 0.384 1.00 0.00 C ATOM 313 OD1 ASP A 21 16.377 3.283 1.463 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.231 1.745 0.096 1.00 0.00 O ATOM 0 H ASP A 21 14.083 0.922 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 21 13.782 3.410 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.612 2.449 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.611 4.093 -0.980 1.00 0.00 H new ATOM 319 N VAL A 22 12.001 2.831 -1.807 1.00 0.00 N ATOM 320 CA VAL A 22 11.068 3.369 -2.794 1.00 0.00 C ATOM 321 C VAL A 22 9.627 3.080 -2.381 1.00 0.00 C ATOM 322 O VAL A 22 9.361 2.185 -1.581 1.00 0.00 O ATOM 323 CB VAL A 22 11.415 2.847 -4.200 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.777 1.504 -4.550 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.974 3.838 -5.277 1.00 0.00 C ATOM 0 H VAL A 22 11.798 1.871 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 22 11.165 4.454 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 22 12.497 2.721 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.074 1.211 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.109 0.747 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.692 1.594 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.231 3.445 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.896 3.986 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.480 4.791 -5.124 1.00 0.00 H new ATOM 335 N TYR A 23 8.686 3.867 -2.907 1.00 0.00 N ATOM 336 CA TYR A 23 7.286 3.696 -2.586 1.00 0.00 C ATOM 337 C TYR A 23 6.705 2.493 -3.326 1.00 0.00 C ATOM 338 O TYR A 23 7.098 2.197 -4.455 1.00 0.00 O ATOM 339 CB TYR A 23 6.503 4.969 -2.913 1.00 0.00 C ATOM 340 CG TYR A 23 6.982 6.210 -2.185 1.00 0.00 C ATOM 341 CD1 TYR A 23 7.015 6.238 -0.778 1.00 0.00 C ATOM 342 CD2 TYR A 23 7.297 7.375 -2.912 1.00 0.00 C ATOM 343 CE1 TYR A 23 7.225 7.453 -0.106 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.620 8.561 -2.232 1.00 0.00 C ATOM 345 CZ TYR A 23 7.565 8.606 -0.830 1.00 0.00 C ATOM 346 OH TYR A 23 7.835 9.776 -0.184 1.00 0.00 O ATOM 0 H TYR A 23 8.879 4.628 -3.558 1.00 0.00 H new ATOM 0 HA TYR A 23 7.198 3.507 -1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.560 5.149 -3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.453 4.805 -2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.879 5.326 -0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.290 7.356 -3.992 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.125 7.500 0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.911 9.440 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 23 8.053 10.470 -0.841 1.00 0.00 H new ATOM 356 N VAL A 24 5.735 1.816 -2.704 1.00 0.00 N ATOM 357 CA VAL A 24 5.043 0.707 -3.349 1.00 0.00 C ATOM 358 C VAL A 24 4.436 1.173 -4.680 1.00 0.00 C ATOM 359 O VAL A 24 4.733 0.615 -5.736 1.00 0.00 O ATOM 360 CB VAL A 24 3.998 0.070 -2.411 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.648 -1.337 -2.896 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.501 -0.072 -0.970 1.00 0.00 C ATOM 0 H VAL A 24 5.415 2.019 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 24 5.765 -0.079 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 24 3.135 0.736 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.909 -1.779 -2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.238 -1.283 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.547 -1.954 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.723 -0.526 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.390 -0.703 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.749 0.912 -0.572 1.00 0.00 H new ATOM 372 N LEU A 25 3.628 2.239 -4.647 1.00 0.00 N ATOM 373 CA LEU A 25 2.936 2.794 -5.813 1.00 0.00 C ATOM 374 C LEU A 25 3.872 3.655 -6.680 1.00 0.00 C ATOM 375 O LEU A 25 3.524 4.739 -7.143 1.00 0.00 O ATOM 376 CB LEU A 25 1.636 3.453 -5.310 1.00 0.00 C ATOM 377 CG LEU A 25 0.763 4.223 -6.315 1.00 0.00 C ATOM 378 CD1 LEU A 25 -0.705 3.785 -6.222 1.00 0.00 C ATOM 379 CD2 LEU A 25 0.802 5.732 -6.027 1.00 0.00 C ATOM 0 H LEU A 25 3.433 2.751 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 25 2.635 2.023 -6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.019 2.671 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.903 4.141 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 25 1.163 4.008 -7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.299 4.346 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.781 2.720 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.079 3.978 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.178 6.257 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.428 5.920 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.828 6.091 -6.106 1.00 0.00 H new ATOM 391 N ASP A 26 5.067 3.123 -6.947 1.00 0.00 N ATOM 392 CA ASP A 26 6.049 3.679 -7.861 1.00 0.00 C ATOM 393 C ASP A 26 6.636 2.527 -8.665 1.00 0.00 C ATOM 394 O ASP A 26 6.311 2.337 -9.838 1.00 0.00 O ATOM 395 CB ASP A 26 7.106 4.431 -7.044 1.00 0.00 C ATOM 396 CG ASP A 26 8.052 5.281 -7.877 1.00 0.00 C ATOM 397 OD1 ASP A 26 7.934 5.243 -9.119 1.00 0.00 O ATOM 398 OD2 ASP A 26 8.871 5.979 -7.242 1.00 0.00 O ATOM 0 H ASP A 26 5.383 2.257 -6.510 1.00 0.00 H new ATOM 0 HA ASP A 26 5.610 4.393 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.601 5.072 -6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.691 3.708 -6.475 1.00 0.00 H new ATOM 403 N GLN A 27 7.403 1.670 -7.984 1.00 0.00 N ATOM 404 CA GLN A 27 8.022 0.518 -8.600 1.00 0.00 C ATOM 405 C GLN A 27 6.979 -0.521 -9.049 1.00 0.00 C ATOM 406 O GLN A 27 7.311 -1.463 -9.751 1.00 0.00 O ATOM 407 CB GLN A 27 9.084 -0.033 -7.638 1.00 0.00 C ATOM 408 CG GLN A 27 9.860 -1.206 -8.224 1.00 0.00 C ATOM 409 CD GLN A 27 11.058 -1.593 -7.362 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.254 -1.062 -6.275 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.866 -2.532 -7.827 1.00 0.00 N ATOM 0 H GLN A 27 7.605 1.766 -6.989 1.00 0.00 H new ATOM 0 HA GLN A 27 8.524 0.806 -9.524 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.781 0.764 -7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.601 -0.348 -6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.196 -2.064 -8.326 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.204 -0.948 -9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.682 -2.959 -8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.673 -2.829 -7.278 1.00 0.00 H new ATOM 420 N ALA A 28 5.711 -0.377 -8.660 1.00 0.00 N ATOM 421 CA ALA A 28 4.648 -1.264 -9.110 1.00 0.00 C ATOM 422 C ALA A 28 4.188 -0.943 -10.533 1.00 0.00 C ATOM 423 O ALA A 28 4.132 -1.828 -11.394 1.00 0.00 O ATOM 424 CB ALA A 28 3.494 -1.134 -8.133 1.00 0.00 C ATOM 0 H ALA A 28 5.397 0.357 -8.026 1.00 0.00 H new ATOM 0 HA ALA A 28 5.022 -2.287 -9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.679 -1.788 -8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.828 -1.419 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.145 -0.102 -8.118 1.00 0.00 H new ATOM 430 N GLU A 29 3.810 0.316 -10.782 1.00 0.00 N ATOM 431 CA GLU A 29 3.332 0.719 -12.097 1.00 0.00 C ATOM 432 C GLU A 29 4.360 0.356 -13.164 1.00 0.00 C ATOM 433 O GLU A 29 3.974 -0.109 -14.234 1.00 0.00 O ATOM 434 CB GLU A 29 2.992 2.214 -12.160 1.00 0.00 C ATOM 435 CG GLU A 29 1.572 2.509 -11.659 1.00 0.00 C ATOM 436 CD GLU A 29 1.090 3.888 -12.099 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.962 4.758 -12.313 1.00 0.00 O ATOM 438 OE2 GLU A 29 -0.144 4.046 -12.221 1.00 0.00 O ATOM 0 H GLU A 29 3.828 1.065 -10.090 1.00 0.00 H new ATOM 0 HA GLU A 29 2.407 0.175 -12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.710 2.773 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.093 2.564 -13.187 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.888 1.748 -12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.550 2.447 -10.571 1.00 0.00 H new ATOM 445 N GLU A 30 5.657 0.521 -12.875 1.00 0.00 N ATOM 446 CA GLU A 30 6.683 0.140 -13.842 1.00 0.00 C ATOM 447 C GLU A 30 6.627 -1.334 -14.255 1.00 0.00 C ATOM 448 O GLU A 30 6.888 -1.655 -15.415 1.00 0.00 O ATOM 449 CB GLU A 30 8.061 0.716 -13.488 1.00 0.00 C ATOM 450 CG GLU A 30 8.756 -0.012 -12.334 1.00 0.00 C ATOM 451 CD GLU A 30 9.877 -0.949 -12.773 1.00 0.00 C ATOM 452 OE1 GLU A 30 9.817 -1.424 -13.927 1.00 0.00 O ATOM 453 OE2 GLU A 30 10.797 -1.146 -11.949 1.00 0.00 O ATOM 0 H GLU A 30 6.011 0.907 -12.000 1.00 0.00 H new ATOM 0 HA GLU A 30 6.443 0.633 -14.784 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.700 0.673 -14.370 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.949 1.768 -13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.164 0.728 -11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.013 -0.586 -11.781 1.00 0.00 H new ATOM 460 N GLU A 31 6.172 -2.216 -13.362 1.00 0.00 N ATOM 461 CA GLU A 31 6.003 -3.625 -13.700 1.00 0.00 C ATOM 462 C GLU A 31 4.711 -3.811 -14.495 1.00 0.00 C ATOM 463 O GLU A 31 4.587 -4.739 -15.292 1.00 0.00 O ATOM 464 CB GLU A 31 5.989 -4.476 -12.426 1.00 0.00 C ATOM 465 CG GLU A 31 7.140 -4.076 -11.491 1.00 0.00 C ATOM 466 CD GLU A 31 8.056 -5.250 -11.110 1.00 0.00 C ATOM 467 OE1 GLU A 31 8.417 -6.011 -12.033 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.349 -5.413 -9.901 1.00 0.00 O ATOM 0 H GLU A 31 5.916 -1.978 -12.404 1.00 0.00 H new ATOM 0 HA GLU A 31 6.841 -3.952 -14.316 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.036 -4.352 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.076 -5.531 -12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.737 -3.301 -11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.725 -3.640 -10.583 1.00 0.00 H new ATOM 475 N GLY A 32 3.744 -2.925 -14.249 1.00 0.00 N ATOM 476 CA GLY A 32 2.455 -2.889 -14.920 1.00 0.00 C ATOM 477 C GLY A 32 1.307 -2.986 -13.920 1.00 0.00 C ATOM 478 O GLY A 32 0.168 -3.221 -14.318 1.00 0.00 O ATOM 0 H GLY A 32 3.847 -2.189 -13.551 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.366 -1.965 -15.491 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.390 -3.712 -15.632 1.00 0.00 H new ATOM 482 N ILE A 33 1.585 -2.825 -12.622 1.00 0.00 N ATOM 483 CA ILE A 33 0.539 -2.906 -11.614 1.00 0.00 C ATOM 484 C ILE A 33 -0.330 -1.653 -11.657 1.00 0.00 C ATOM 485 O ILE A 33 0.162 -0.552 -11.435 1.00 0.00 O ATOM 486 CB ILE A 33 1.190 -3.040 -10.241 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.983 -4.351 -10.203 1.00 0.00 C ATOM 488 CG2 ILE A 33 0.180 -2.968 -9.082 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.712 -4.591 -8.889 1.00 0.00 C ATOM 0 H ILE A 33 2.518 -2.640 -12.254 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.093 -3.772 -11.810 1.00 0.00 H new ATOM 0 HB ILE A 33 1.857 -2.190 -10.097 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.302 -5.182 -10.387 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.710 -4.349 -11.016 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.707 -3.070 -8.133 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.337 -2.009 -9.109 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.546 -3.774 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.250 -5.538 -8.939 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.419 -3.781 -8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.990 -4.627 -8.073 1.00 0.00 H new ATOM 501 N ASP A 34 -1.635 -1.841 -11.841 1.00 0.00 N ATOM 502 CA ASP A 34 -2.626 -0.792 -11.667 1.00 0.00 C ATOM 503 C ASP A 34 -3.087 -0.801 -10.207 1.00 0.00 C ATOM 504 O ASP A 34 -3.635 -1.803 -9.743 1.00 0.00 O ATOM 505 CB ASP A 34 -3.773 -1.053 -12.649 1.00 0.00 C ATOM 506 CG ASP A 34 -4.806 0.069 -12.667 1.00 0.00 C ATOM 507 OD1 ASP A 34 -5.106 0.604 -11.579 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.285 0.370 -13.782 1.00 0.00 O ATOM 0 H ASP A 34 -2.034 -2.738 -12.118 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.221 0.197 -11.880 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.364 -1.180 -13.652 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.265 -1.989 -12.384 1.00 0.00 H new ATOM 513 N ILE A 35 -2.810 0.273 -9.458 1.00 0.00 N ATOM 514 CA ILE A 35 -3.319 0.482 -8.115 1.00 0.00 C ATOM 515 C ILE A 35 -3.886 1.900 -8.006 1.00 0.00 C ATOM 516 O ILE A 35 -3.558 2.745 -8.839 1.00 0.00 O ATOM 517 CB ILE A 35 -2.227 0.188 -7.068 1.00 0.00 C ATOM 518 CG1 ILE A 35 -0.790 0.344 -7.601 1.00 0.00 C ATOM 519 CG2 ILE A 35 -2.452 -1.221 -6.519 1.00 0.00 C ATOM 520 CD1 ILE A 35 0.245 0.074 -6.504 1.00 0.00 C ATOM 0 H ILE A 35 -2.212 1.032 -9.784 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.131 -0.215 -7.909 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.318 0.934 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.631 -0.345 -8.431 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.653 1.352 -7.993 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.688 -1.448 -5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.437 -1.278 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.391 -1.943 -7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.248 0.192 -6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.101 0.780 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.123 -0.943 -6.131 1.00 0.00 H new ATOM 682 N ALA A 48 -5.890 3.406 0.311 1.00 0.00 N ATOM 683 CA ALA A 48 -5.685 2.472 1.397 1.00 0.00 C ATOM 684 C ALA A 48 -5.371 1.041 0.952 1.00 0.00 C ATOM 685 O ALA A 48 -5.353 0.691 -0.232 1.00 0.00 O ATOM 686 CB ALA A 48 -6.877 2.524 2.347 1.00 0.00 C ATOM 0 HA ALA A 48 -4.785 2.792 1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.722 1.820 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.977 3.532 2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.785 2.257 1.806 1.00 0.00 H new ATOM 692 N GLY A 49 -5.105 0.182 1.929 1.00 0.00 N ATOM 693 CA GLY A 49 -5.004 -1.242 1.726 1.00 0.00 C ATOM 694 C GLY A 49 -4.992 -1.951 3.066 1.00 0.00 C ATOM 695 O GLY A 49 -4.740 -1.304 4.077 1.00 0.00 O ATOM 0 H GLY A 49 -4.953 0.469 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.843 -1.594 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.095 -1.476 1.172 1.00 0.00 H new ATOM 699 N LYS A 50 -5.288 -3.254 3.086 1.00 0.00 N ATOM 700 CA LYS A 50 -5.333 -4.083 4.274 1.00 0.00 C ATOM 701 C LYS A 50 -4.035 -4.875 4.417 1.00 0.00 C ATOM 702 O LYS A 50 -3.784 -5.764 3.613 1.00 0.00 O ATOM 703 CB LYS A 50 -6.561 -4.998 4.175 1.00 0.00 C ATOM 704 CG LYS A 50 -7.155 -5.301 5.556 1.00 0.00 C ATOM 705 CD LYS A 50 -8.672 -5.451 5.443 1.00 0.00 C ATOM 706 CE LYS A 50 -9.310 -5.259 6.831 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.779 -5.092 6.749 1.00 0.00 N ATOM 0 H LYS A 50 -5.510 -3.772 2.236 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.424 -3.468 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.318 -4.525 3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.281 -5.931 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.718 -6.215 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.910 -4.499 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.070 -4.716 4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.923 -6.436 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.078 -6.119 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.872 -4.385 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.194 -5.203 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.001 -4.144 6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.175 -5.811 6.111 1.00 0.00 H new ATOM 721 N VAL A 51 -3.204 -4.562 5.409 1.00 0.00 N ATOM 722 CA VAL A 51 -2.011 -5.325 5.740 1.00 0.00 C ATOM 723 C VAL A 51 -2.425 -6.757 6.092 1.00 0.00 C ATOM 724 O VAL A 51 -3.021 -6.984 7.142 1.00 0.00 O ATOM 725 CB VAL A 51 -1.291 -4.655 6.934 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.041 -5.432 7.363 1.00 0.00 C ATOM 727 CG2 VAL A 51 -0.887 -3.206 6.633 1.00 0.00 C ATOM 0 H VAL A 51 -3.347 -3.754 6.015 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.326 -5.350 4.892 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.016 -4.660 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.432 -4.925 8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.324 -6.441 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.660 -5.483 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.385 -2.780 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.211 -3.187 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.777 -2.620 6.405 1.00 0.00 H new ATOM 737 N VAL A 52 -2.106 -7.727 5.232 1.00 0.00 N ATOM 738 CA VAL A 52 -2.326 -9.138 5.529 1.00 0.00 C ATOM 739 C VAL A 52 -1.173 -9.664 6.376 1.00 0.00 C ATOM 740 O VAL A 52 -1.398 -10.340 7.377 1.00 0.00 O ATOM 741 CB VAL A 52 -2.464 -9.934 4.225 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.467 -11.454 4.442 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.743 -9.524 3.499 1.00 0.00 C ATOM 0 H VAL A 52 -1.691 -7.555 4.316 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.251 -9.255 6.093 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.587 -9.697 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.567 -11.959 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.532 -11.756 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.303 -11.728 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.835 -10.093 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.604 -9.726 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.705 -8.459 3.268 1.00 0.00 H new ATOM 753 N SER A 53 0.068 -9.404 5.957 1.00 0.00 N ATOM 754 CA SER A 53 1.238 -9.904 6.664 1.00 0.00 C ATOM 755 C SER A 53 2.466 -9.089 6.283 1.00 0.00 C ATOM 756 O SER A 53 2.398 -8.255 5.384 1.00 0.00 O ATOM 757 CB SER A 53 1.456 -11.391 6.365 1.00 0.00 C ATOM 758 OG SER A 53 2.353 -11.942 7.311 1.00 0.00 O ATOM 0 H SER A 53 0.283 -8.848 5.129 1.00 0.00 H new ATOM 0 HA SER A 53 1.071 -9.799 7.736 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.505 -11.922 6.400 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.854 -11.515 5.358 1.00 0.00 H new ATOM 0 HG SER A 53 2.489 -12.893 7.118 1.00 0.00 H new ATOM 764 N GLY A 54 3.578 -9.351 6.968 1.00 0.00 N ATOM 765 CA GLY A 54 4.751 -8.488 6.971 1.00 0.00 C ATOM 766 C GLY A 54 4.434 -7.146 7.633 1.00 0.00 C ATOM 767 O GLY A 54 3.394 -6.993 8.271 1.00 0.00 O ATOM 0 H GLY A 54 3.688 -10.184 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.567 -8.977 7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.090 -8.323 5.948 1.00 0.00 H new ATOM 771 N SER A 55 5.338 -6.173 7.484 1.00 0.00 N ATOM 772 CA SER A 55 5.177 -4.811 7.972 1.00 0.00 C ATOM 773 C SER A 55 5.759 -3.893 6.902 1.00 0.00 C ATOM 774 O SER A 55 6.566 -4.361 6.099 1.00 0.00 O ATOM 775 CB SER A 55 5.943 -4.621 9.286 1.00 0.00 C ATOM 776 OG SER A 55 5.825 -5.750 10.129 1.00 0.00 O ATOM 0 H SER A 55 6.226 -6.322 7.005 1.00 0.00 H new ATOM 0 HA SER A 55 4.127 -4.589 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.995 -4.437 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.565 -3.739 9.803 1.00 0.00 H new ATOM 0 HG SER A 55 6.327 -5.594 10.956 1.00 0.00 H new ATOM 782 N ILE A 56 5.366 -2.616 6.900 1.00 0.00 N ATOM 783 CA ILE A 56 5.906 -1.575 6.045 1.00 0.00 C ATOM 784 C ILE A 56 5.885 -0.272 6.834 1.00 0.00 C ATOM 785 O ILE A 56 5.226 -0.211 7.874 1.00 0.00 O ATOM 786 CB ILE A 56 5.082 -1.461 4.755 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.602 -1.138 5.001 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.201 -2.769 3.973 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.856 -0.877 3.685 1.00 0.00 C ATOM 0 H ILE A 56 4.633 -2.274 7.522 1.00 0.00 H new ATOM 0 HA ILE A 56 6.928 -1.810 5.750 1.00 0.00 H new ATOM 0 HB ILE A 56 5.489 -0.625 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.131 -1.967 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.522 -0.263 5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.619 -2.698 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.247 -2.952 3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.822 -3.591 4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.811 -0.652 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.312 -0.032 3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.915 -1.762 3.052 1.00 0.00 H new ATOM 801 N ASP A 57 6.581 0.753 6.339 1.00 0.00 N ATOM 802 CA ASP A 57 6.611 2.071 6.951 1.00 0.00 C ATOM 803 C ASP A 57 5.856 3.032 6.040 1.00 0.00 C ATOM 804 O ASP A 57 6.310 3.327 4.934 1.00 0.00 O ATOM 805 CB ASP A 57 8.065 2.509 7.174 1.00 0.00 C ATOM 806 CG ASP A 57 8.149 3.857 7.879 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.075 4.462 8.097 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.283 4.257 8.211 1.00 0.00 O ATOM 0 H ASP A 57 7.144 0.684 5.492 1.00 0.00 H new ATOM 0 HA ASP A 57 6.128 2.061 7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.584 1.756 7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.578 2.568 6.214 1.00 0.00 H new ATOM 813 N GLN A 58 4.681 3.482 6.492 1.00 0.00 N ATOM 814 CA GLN A 58 3.914 4.537 5.850 1.00 0.00 C ATOM 815 C GLN A 58 4.022 5.868 6.601 1.00 0.00 C ATOM 816 O GLN A 58 3.130 6.700 6.466 1.00 0.00 O ATOM 817 CB GLN A 58 2.456 4.088 5.707 1.00 0.00 C ATOM 818 CG GLN A 58 1.926 3.553 7.033 1.00 0.00 C ATOM 819 CD GLN A 58 0.413 3.451 7.054 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.312 4.030 6.249 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.071 2.610 7.945 1.00 0.00 N ATOM 0 H GLN A 58 4.234 3.112 7.331 1.00 0.00 H new ATOM 0 HA GLN A 58 4.332 4.714 4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.843 4.926 5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.381 3.316 4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.356 2.569 7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.254 4.206 7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.557 2.144 8.600 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.073 2.424 7.979 1.00 0.00 H new ATOM 830 N SER A 59 5.086 6.111 7.376 1.00 0.00 N ATOM 831 CA SER A 59 5.241 7.317 8.190 1.00 0.00 C ATOM 832 C SER A 59 5.598 8.557 7.350 1.00 0.00 C ATOM 833 O SER A 59 6.436 9.357 7.769 1.00 0.00 O ATOM 834 CB SER A 59 6.300 7.055 9.275 1.00 0.00 C ATOM 835 OG SER A 59 6.371 8.147 10.174 1.00 0.00 O ATOM 0 H SER A 59 5.872 5.466 7.455 1.00 0.00 H new ATOM 0 HA SER A 59 4.282 7.540 8.657 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.053 6.144 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.273 6.895 8.810 1.00 0.00 H new ATOM 0 HG SER A 59 6.518 8.975 9.671 1.00 0.00 H new ATOM 901 N LEU A 64 -4.626 7.639 7.382 1.00 0.00 N ATOM 902 CA LEU A 64 -5.137 6.532 8.179 1.00 0.00 C ATOM 903 C LEU A 64 -4.957 6.800 9.666 1.00 0.00 C ATOM 904 O LEU A 64 -3.901 7.271 10.089 1.00 0.00 O ATOM 905 CB LEU A 64 -4.492 5.183 7.854 1.00 0.00 C ATOM 906 CG LEU A 64 -5.127 4.465 6.661 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.683 5.060 5.327 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.697 3.005 6.742 1.00 0.00 C ATOM 0 HA LEU A 64 -6.194 6.467 7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.432 5.337 7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.558 4.539 8.731 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.211 4.574 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.159 4.518 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.972 6.110 5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.600 4.977 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.128 2.452 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.610 2.943 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.045 2.575 7.681 1.00 0.00 H new ATOM 920 N ASP A 65 -5.982 6.455 10.437 1.00 0.00 N ATOM 921 CA ASP A 65 -5.962 6.593 11.880 1.00 0.00 C ATOM 922 C ASP A 65 -5.279 5.379 12.502 1.00 0.00 C ATOM 923 O ASP A 65 -5.112 4.338 11.859 1.00 0.00 O ATOM 924 CB ASP A 65 -7.383 6.765 12.424 1.00 0.00 C ATOM 925 CG ASP A 65 -8.009 8.080 11.987 1.00 0.00 C ATOM 926 OD1 ASP A 65 -7.663 9.105 12.614 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.826 8.036 11.042 1.00 0.00 O ATOM 0 H ASP A 65 -6.853 6.070 10.072 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.396 7.485 12.146 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.004 5.937 12.082 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.362 6.719 13.513 1.00 0.00 H new ATOM 932 N ASP A 66 -4.917 5.515 13.778 1.00 0.00 N ATOM 933 CA ASP A 66 -4.289 4.464 14.563 1.00 0.00 C ATOM 934 C ASP A 66 -5.172 3.226 14.515 1.00 0.00 C ATOM 935 O ASP A 66 -4.680 2.116 14.331 1.00 0.00 O ATOM 936 CB ASP A 66 -4.106 4.929 16.012 1.00 0.00 C ATOM 937 CG ASP A 66 -3.046 6.012 16.127 1.00 0.00 C ATOM 938 OD1 ASP A 66 -3.421 7.183 15.907 1.00 0.00 O ATOM 939 OD2 ASP A 66 -1.887 5.650 16.425 1.00 0.00 O ATOM 0 H ASP A 66 -5.057 6.379 14.301 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.307 4.230 14.152 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.054 5.306 16.395 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.826 4.079 16.634 1.00 0.00 H new ATOM 944 N GLU A 67 -6.483 3.441 14.649 1.00 0.00 N ATOM 945 CA GLU A 67 -7.485 2.398 14.605 1.00 0.00 C ATOM 946 C GLU A 67 -7.292 1.561 13.349 1.00 0.00 C ATOM 947 O GLU A 67 -7.039 0.368 13.428 1.00 0.00 O ATOM 948 CB GLU A 67 -8.900 2.996 14.638 1.00 0.00 C ATOM 949 CG GLU A 67 -9.007 4.343 15.352 1.00 0.00 C ATOM 950 CD GLU A 67 -10.451 4.640 15.743 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.331 4.362 14.900 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.648 5.112 16.883 1.00 0.00 O ATOM 0 H GLU A 67 -6.876 4.371 14.794 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.370 1.762 15.483 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.254 3.114 13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.568 2.287 15.127 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.379 4.338 16.243 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.632 5.134 14.702 1.00 0.00 H new ATOM 959 N GLN A 68 -7.408 2.198 12.184 1.00 0.00 N ATOM 960 CA GLN A 68 -7.244 1.552 10.898 1.00 0.00 C ATOM 961 C GLN A 68 -5.906 0.814 10.812 1.00 0.00 C ATOM 962 O GLN A 68 -5.880 -0.364 10.458 1.00 0.00 O ATOM 963 CB GLN A 68 -7.393 2.603 9.803 1.00 0.00 C ATOM 964 CG GLN A 68 -8.815 3.164 9.824 1.00 0.00 C ATOM 965 CD GLN A 68 -8.938 4.432 9.009 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.966 5.144 8.790 1.00 0.00 O ATOM 967 NE2 GLN A 68 -10.140 4.710 8.542 1.00 0.00 N ATOM 0 H GLN A 68 -7.622 3.193 12.115 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.015 0.793 10.766 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.672 3.406 9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.179 2.162 8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.505 2.415 9.435 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.110 3.365 10.854 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.923 4.090 8.748 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.286 5.545 7.975 1.00 0.00 H new ATOM 976 N MET A 69 -4.793 1.481 11.128 1.00 0.00 N ATOM 977 CA MET A 69 -3.501 0.815 11.133 1.00 0.00 C ATOM 978 C MET A 69 -3.540 -0.477 11.961 1.00 0.00 C ATOM 979 O MET A 69 -3.328 -1.563 11.421 1.00 0.00 O ATOM 980 CB MET A 69 -2.417 1.772 11.621 1.00 0.00 C ATOM 981 CG MET A 69 -2.223 2.957 10.675 1.00 0.00 C ATOM 982 SD MET A 69 -0.798 3.987 11.105 1.00 0.00 S ATOM 983 CE MET A 69 -1.482 5.611 10.740 1.00 0.00 C ATOM 0 H MET A 69 -4.766 2.469 11.380 1.00 0.00 H new ATOM 0 HA MET A 69 -3.257 0.524 10.111 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.680 2.140 12.613 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.476 1.231 11.721 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.101 2.585 9.658 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.123 3.572 10.684 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.699 6.364 10.829 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.879 5.619 9.725 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.283 5.835 11.445 1.00 0.00 H new ATOM 993 N ASP A 70 -3.858 -0.360 13.253 1.00 0.00 N ATOM 994 CA ASP A 70 -3.910 -1.469 14.202 1.00 0.00 C ATOM 995 C ASP A 70 -4.839 -2.571 13.693 1.00 0.00 C ATOM 996 O ASP A 70 -4.521 -3.758 13.724 1.00 0.00 O ATOM 997 CB ASP A 70 -4.412 -0.942 15.551 1.00 0.00 C ATOM 998 CG ASP A 70 -4.398 -2.046 16.598 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.308 -2.272 17.167 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.475 -2.642 16.808 1.00 0.00 O ATOM 0 H ASP A 70 -4.093 0.537 13.678 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.912 -1.893 14.316 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.784 -0.114 15.880 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.424 -0.551 15.441 1.00 0.00 H new ATOM 1005 N ALA A 71 -5.985 -2.138 13.169 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.042 -2.978 12.632 1.00 0.00 C ATOM 1007 C ALA A 71 -6.570 -3.797 11.431 1.00 0.00 C ATOM 1008 O ALA A 71 -7.203 -4.793 11.084 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.219 -2.088 12.236 1.00 0.00 C ATOM 0 H ALA A 71 -6.207 -1.144 13.107 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.345 -3.689 13.401 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.021 -2.705 11.831 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.581 -1.552 13.113 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.895 -1.371 11.481 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.482 -3.374 10.783 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.832 -4.117 9.726 1.00 0.00 C ATOM 1017 C GLY A 72 -4.848 -3.342 8.424 1.00 0.00 C ATOM 1018 O GLY A 72 -4.866 -3.975 7.379 1.00 0.00 O ATOM 0 H GLY A 72 -5.027 -2.485 10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.803 -4.335 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.334 -5.075 9.589 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.859 -2.006 8.448 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.850 -1.191 7.239 1.00 0.00 C ATOM 1024 C TYR A 73 -3.551 -0.401 7.062 1.00 0.00 C ATOM 1025 O TYR A 73 -2.718 -0.332 7.963 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.083 -0.299 7.205 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.363 -1.093 7.091 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.734 -1.611 5.838 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.269 -1.157 8.163 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.048 -2.046 5.622 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.588 -1.587 7.941 1.00 0.00 C ATOM 1032 CZ TYR A 73 -10.003 -1.938 6.645 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.255 -2.446 6.445 1.00 0.00 O ATOM 0 H TYR A 73 -4.874 -1.462 9.311 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.890 -1.864 6.383 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.114 0.308 8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.008 0.388 6.362 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.006 -1.674 5.042 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.952 -0.876 9.156 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.327 -2.465 4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.283 -1.648 8.766 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.885 -1.712 6.288 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.363 0.180 5.876 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.181 0.924 5.485 1.00 0.00 C ATOM 1045 C VAL A 74 -2.514 1.808 4.281 1.00 0.00 C ATOM 1046 O VAL A 74 -3.506 1.558 3.600 1.00 0.00 O ATOM 1047 CB VAL A 74 -1.038 -0.062 5.204 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.346 -1.038 4.063 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.274 0.650 4.902 1.00 0.00 C ATOM 0 H VAL A 74 -4.064 0.139 5.136 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.851 1.585 6.286 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.936 -0.636 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.497 -1.706 3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.230 -1.624 4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.530 -0.479 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.053 -0.088 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.150 1.284 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.559 1.265 5.756 1.00 0.00 H new ATOM 1119 N ALA A 79 4.166 4.385 0.926 1.00 0.00 N ATOM 1120 CA ALA A 79 4.542 3.301 1.818 1.00 0.00 C ATOM 1121 C ALA A 79 5.854 2.685 1.340 1.00 0.00 C ATOM 1122 O ALA A 79 6.002 2.420 0.149 1.00 0.00 O ATOM 1123 CB ALA A 79 3.422 2.264 1.849 1.00 0.00 C ATOM 0 HA ALA A 79 4.690 3.677 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.700 1.449 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.504 2.730 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.261 1.872 0.845 1.00 0.00 H new ATOM 1129 N TYR A 80 6.787 2.449 2.265 1.00 0.00 N ATOM 1130 CA TYR A 80 8.066 1.804 2.009 1.00 0.00 C ATOM 1131 C TYR A 80 8.035 0.374 2.554 1.00 0.00 C ATOM 1132 O TYR A 80 7.745 0.184 3.739 1.00 0.00 O ATOM 1133 CB TYR A 80 9.157 2.560 2.749 1.00 0.00 C ATOM 1134 CG TYR A 80 9.441 3.939 2.200 1.00 0.00 C ATOM 1135 CD1 TYR A 80 10.183 4.068 1.015 1.00 0.00 C ATOM 1136 CD2 TYR A 80 8.966 5.086 2.861 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.441 5.339 0.482 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.268 6.362 2.352 1.00 0.00 C ATOM 1139 CZ TYR A 80 10.009 6.488 1.164 1.00 0.00 C ATOM 1140 OH TYR A 80 10.272 7.719 0.641 1.00 0.00 O ATOM 0 H TYR A 80 6.664 2.712 3.243 1.00 0.00 H new ATOM 0 HA TYR A 80 8.257 1.797 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.873 2.651 3.797 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.075 1.973 2.717 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.556 3.187 0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.371 4.987 3.757 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.972 5.434 -0.453 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.931 7.245 2.874 1.00 0.00 H new ATOM 0 HH TYR A 80 9.472 8.060 0.188 1.00 0.00 H new ATOM 1150 N PRO A 81 8.333 -0.634 1.722 1.00 0.00 N ATOM 1151 CA PRO A 81 8.306 -2.024 2.133 1.00 0.00 C ATOM 1152 C PRO A 81 9.524 -2.391 2.981 1.00 0.00 C ATOM 1153 O PRO A 81 10.637 -2.378 2.472 1.00 0.00 O ATOM 1154 CB PRO A 81 8.236 -2.850 0.851 1.00 0.00 C ATOM 1155 CG PRO A 81 8.600 -1.892 -0.282 1.00 0.00 C ATOM 1156 CD PRO A 81 8.584 -0.489 0.299 1.00 0.00 C ATOM 0 HA PRO A 81 7.444 -2.223 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.928 -3.691 0.889 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.238 -3.265 0.707 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.583 -2.130 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.888 -1.977 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.534 0.015 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.810 0.117 -0.172 1.00 0.00 H new ATOM 1164 N THR A 82 9.348 -2.753 4.256 1.00 0.00 N ATOM 1165 CA THR A 82 10.476 -3.065 5.126 1.00 0.00 C ATOM 1166 C THR A 82 10.796 -4.563 5.140 1.00 0.00 C ATOM 1167 O THR A 82 11.832 -4.957 5.673 1.00 0.00 O ATOM 1168 CB THR A 82 10.215 -2.506 6.528 1.00 0.00 C ATOM 1169 OG1 THR A 82 8.980 -2.974 7.026 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.182 -0.975 6.481 1.00 0.00 C ATOM 0 H THR A 82 8.435 -2.836 4.704 1.00 0.00 H new ATOM 0 HA THR A 82 11.368 -2.581 4.728 1.00 0.00 H new ATOM 0 HB THR A 82 11.018 -2.841 7.184 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.829 -2.609 7.923 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.996 -0.584 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.139 -0.601 6.118 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.387 -0.649 5.810 1.00 0.00 H new ATOM 1178 N SER A 83 9.935 -5.401 4.553 1.00 0.00 N ATOM 1179 CA SER A 83 10.148 -6.823 4.308 1.00 0.00 C ATOM 1180 C SER A 83 9.136 -7.255 3.242 1.00 0.00 C ATOM 1181 O SER A 83 8.375 -6.425 2.739 1.00 0.00 O ATOM 1182 CB SER A 83 10.002 -7.634 5.608 1.00 0.00 C ATOM 1183 OG SER A 83 11.131 -7.473 6.445 1.00 0.00 O ATOM 0 H SER A 83 9.024 -5.084 4.220 1.00 0.00 H new ATOM 0 HA SER A 83 11.161 -7.010 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.105 -7.315 6.139 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.872 -8.689 5.368 1.00 0.00 H new ATOM 0 HG SER A 83 11.610 -6.655 6.195 1.00 0.00 H new ATOM 1189 N ASP A 84 9.116 -8.546 2.908 1.00 0.00 N ATOM 1190 CA ASP A 84 8.093 -9.195 2.105 1.00 0.00 C ATOM 1191 C ASP A 84 6.736 -9.078 2.805 1.00 0.00 C ATOM 1192 O ASP A 84 6.361 -9.896 3.641 1.00 0.00 O ATOM 1193 CB ASP A 84 8.478 -10.657 1.844 1.00 0.00 C ATOM 1194 CG ASP A 84 8.868 -11.442 3.099 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.719 -10.908 3.849 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.359 -12.570 3.251 1.00 0.00 O ATOM 0 H ASP A 84 9.847 -9.192 3.206 1.00 0.00 H new ATOM 0 HA ASP A 84 8.014 -8.699 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.640 -11.160 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.311 -10.681 1.142 1.00 0.00 H new ATOM 1201 N VAL A 85 6.005 -8.022 2.458 1.00 0.00 N ATOM 1202 CA VAL A 85 4.678 -7.721 2.973 1.00 0.00 C ATOM 1203 C VAL A 85 3.606 -8.232 2.007 1.00 0.00 C ATOM 1204 O VAL A 85 3.779 -8.225 0.785 1.00 0.00 O ATOM 1205 CB VAL A 85 4.564 -6.211 3.277 1.00 0.00 C ATOM 1206 CG1 VAL A 85 4.924 -5.360 2.049 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.208 -5.796 3.881 1.00 0.00 C ATOM 0 H VAL A 85 6.335 -7.329 1.786 1.00 0.00 H new ATOM 0 HA VAL A 85 4.513 -8.243 3.915 1.00 0.00 H new ATOM 0 HB VAL A 85 5.301 -6.012 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.833 -4.303 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.949 -5.574 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.246 -5.599 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.206 -4.722 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.408 -6.046 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.050 -6.327 4.820 1.00 0.00 H new ATOM 1217 N VAL A 86 2.477 -8.657 2.569 1.00 0.00 N ATOM 1218 CA VAL A 86 1.261 -8.937 1.831 1.00 0.00 C ATOM 1219 C VAL A 86 0.246 -7.904 2.287 1.00 0.00 C ATOM 1220 O VAL A 86 0.003 -7.772 3.489 1.00 0.00 O ATOM 1221 CB VAL A 86 0.773 -10.365 2.117 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.489 -10.690 1.304 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.865 -11.383 1.767 1.00 0.00 C ATOM 0 H VAL A 86 2.386 -8.818 3.572 1.00 0.00 H new ATOM 0 HA VAL A 86 1.420 -8.876 0.754 1.00 0.00 H new ATOM 0 HB VAL A 86 0.539 -10.426 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.813 -11.707 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.282 -9.991 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.269 -10.603 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.504 -12.390 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.115 -11.299 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.753 -11.185 2.367 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.335 -7.170 1.340 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.368 -6.192 1.588 1.00 0.00 C ATOM 1235 C ILE A 87 -2.476 -6.391 0.548 1.00 0.00 C ATOM 1236 O ILE A 87 -2.207 -6.885 -0.546 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.726 -4.789 1.624 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.732 -3.637 1.584 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.404 -4.560 0.616 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -2.014 -3.267 0.138 1.00 0.00 C ATOM 0 H ILE A 87 -0.086 -7.249 0.354 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.848 -6.312 2.559 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.259 -4.780 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.656 -3.928 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.337 -2.775 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.787 -3.545 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.208 -5.272 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.023 -4.699 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.731 -2.446 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.087 -2.959 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.427 -4.130 -0.385 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.716 -6.010 0.867 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.826 -5.962 -0.080 1.00 0.00 C ATOM 1254 C GLU A 88 -5.092 -4.519 -0.473 1.00 0.00 C ATOM 1255 O GLU A 88 -5.320 -3.704 0.411 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.110 -6.524 0.532 1.00 0.00 C ATOM 1257 CG GLU A 88 -5.963 -7.763 1.407 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.284 -8.164 2.055 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.178 -7.285 2.124 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.386 -9.335 2.465 1.00 0.00 O ATOM 0 H GLU A 88 -3.978 -5.721 1.810 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.548 -6.564 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.575 -5.739 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.799 -6.759 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.589 -8.590 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.221 -7.573 2.183 1.00 0.00 H new ATOM 1267 N THR A 89 -5.103 -4.190 -1.761 1.00 0.00 N ATOM 1268 CA THR A 89 -5.274 -2.803 -2.192 1.00 0.00 C ATOM 1269 C THR A 89 -6.752 -2.488 -2.426 1.00 0.00 C ATOM 1270 O THR A 89 -7.586 -3.386 -2.339 1.00 0.00 O ATOM 1271 CB THR A 89 -4.423 -2.537 -3.433 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.895 -3.263 -4.552 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.961 -2.871 -3.138 1.00 0.00 C ATOM 0 H THR A 89 -4.996 -4.860 -2.523 1.00 0.00 H new ATOM 0 HA THR A 89 -4.930 -2.134 -1.403 1.00 0.00 H new ATOM 0 HB THR A 89 -4.500 -1.479 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.786 -2.938 -4.801 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.358 -2.680 -4.026 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.605 -2.250 -2.316 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.877 -3.922 -2.861 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.066 -1.225 -2.742 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.416 -0.768 -3.062 1.00 0.00 C ATOM 1283 C HIS A 90 -9.300 -0.886 -1.814 1.00 0.00 C ATOM 1284 O HIS A 90 -10.275 -1.635 -1.815 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.020 -1.529 -4.265 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.223 -1.553 -5.553 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -6.865 -1.736 -5.689 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -8.759 -1.632 -6.812 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.588 -1.910 -6.991 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -7.716 -1.854 -7.716 1.00 0.00 N ATOM 0 H HIS A 90 -6.371 -0.480 -2.782 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.365 0.278 -3.364 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.192 -2.560 -3.958 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.996 -1.094 -4.482 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.805 -1.539 -7.062 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.600 -2.072 -7.396 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -7.797 -1.954 -8.728 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.937 -0.181 -0.733 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.615 -0.266 0.563 1.00 0.00 C ATOM 1300 C LYS A 91 -10.062 1.103 1.081 1.00 0.00 C ATOM 1301 O LYS A 91 -10.394 1.236 2.259 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.724 -1.004 1.571 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.292 -2.376 1.040 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.464 -3.333 0.891 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.100 -4.567 0.059 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.653 -5.816 0.621 1.00 0.00 N ATOM 0 H LYS A 91 -8.154 0.472 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.531 -0.841 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.841 -0.402 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.262 -1.129 2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.803 -2.251 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.556 -2.810 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.801 -3.649 1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.298 -2.813 0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.469 -4.436 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.015 -4.651 -0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.822 -6.497 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.977 -6.221 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.550 -5.611 1.106 1.00 0.00 H new ATOM 1320 N GLU A 92 -10.092 2.103 0.196 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.653 3.422 0.436 1.00 0.00 C ATOM 1322 C GLU A 92 -11.966 3.293 1.215 1.00 0.00 C ATOM 1323 O GLU A 92 -12.020 3.570 2.414 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.823 4.097 -0.934 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.514 5.465 -0.879 1.00 0.00 C ATOM 1326 CD GLU A 92 -11.662 6.077 -2.269 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -10.859 5.697 -3.149 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -12.543 6.950 -2.409 1.00 0.00 O ATOM 0 H GLU A 92 -9.709 2.005 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.001 4.042 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.841 4.217 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.399 3.437 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.498 5.358 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.939 6.138 -0.244 1.00 0.00 H new ATOM 1335 N GLU A 93 -13.012 2.786 0.561 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.345 2.680 1.137 1.00 0.00 C ATOM 1337 C GLU A 93 -14.512 1.451 2.054 1.00 0.00 C ATOM 1338 O GLU A 93 -15.594 0.875 2.137 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.347 2.708 -0.029 1.00 0.00 C ATOM 1340 CG GLU A 93 -15.217 1.474 -0.941 1.00 0.00 C ATOM 1341 CD GLU A 93 -15.329 1.833 -2.414 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -16.479 1.935 -2.893 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -14.254 2.001 -3.027 1.00 0.00 O ATOM 0 H GLU A 93 -12.952 2.434 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.531 3.522 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.361 2.759 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.190 3.611 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.258 0.990 -0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.992 0.752 -0.685 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.432 1.066 2.741 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.336 -0.060 3.667 1.00 0.00 C ATOM 1352 C GLU A 94 -12.656 0.380 4.970 1.00 0.00 C ATOM 1353 O GLU A 94 -12.893 -0.229 6.016 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.532 -1.201 3.026 1.00 0.00 C ATOM 1355 CG GLU A 94 -13.350 -2.066 2.057 1.00 0.00 C ATOM 1356 CD GLU A 94 -13.695 -3.412 2.685 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -12.729 -4.169 2.947 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -14.899 -3.661 2.902 1.00 0.00 O ATOM 0 H GLU A 94 -12.547 1.566 2.658 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.343 -0.412 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.681 -0.778 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.129 -1.837 3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.266 -1.543 1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.785 -2.223 1.138 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.762 1.376 4.920 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.228 2.007 6.113 1.00 0.00 C ATOM 1367 C ILE A 95 -12.167 3.073 6.685 1.00 0.00 C ATOM 1368 O ILE A 95 -12.288 3.160 7.908 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.800 2.513 5.867 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.739 3.590 4.791 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.912 1.329 5.495 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.411 4.319 4.785 1.00 0.00 C ATOM 0 H ILE A 95 -11.395 1.760 4.049 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.163 1.249 6.894 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.441 2.977 6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.906 3.135 3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.544 4.307 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.895 1.679 5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.910 0.605 6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.296 0.856 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.415 5.077 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.254 4.798 5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.606 3.608 4.598 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.777 3.901 5.832 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.675 4.959 6.282 1.00 0.00 C ATOM 1386 C VAL A 96 -15.072 4.385 6.544 1.00 0.00 C ATOM 1387 O VAL A 96 -15.348 3.279 6.028 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.709 6.138 5.290 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.302 6.691 5.014 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.382 5.777 3.960 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.846 5.075 7.243 1.00 0.00 O ATOM 0 H VAL A 96 -12.661 3.855 4.820 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.293 5.361 7.220 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.309 6.908 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.369 7.521 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.859 7.041 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.679 5.904 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.377 6.646 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.838 4.960 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.411 5.468 4.145 1.00 0.00 H new