USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 770 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 96 ASN : amide:sc= -3.95! X(o=-3.1!,f=-2.8) USER MOD Set 1.2: A 101 ASN : amide:sc= 0.88 K(o=-3.1,f=-4) USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0.897 USER MOD Set 2.2: A 71 THR OG1 : rot -119:sc= 1.05 USER MOD Set 3.1: A 37 THR OG1 : rot -140:sc= -1.85! USER MOD Set 3.2: A 85 LYS NZ :NH3+ 174:sc= 1.32 (180deg=0.181) USER MOD Set 4.1: A 29 ASN : amide:sc= 0.966 K(o=2.1,f=-6.7) USER MOD Set 4.2: A 35 LYS NZ :NH3+ -158:sc= 1.12 (180deg=0.269) USER MOD Set 5.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 89 SER OG : rot 180:sc= -0.0711 USER MOD Set 6.1: A 16 TYR OH : rot -81:sc= 0.459 USER MOD Set 6.2: A 19 SER OG : rot -64:sc= -1.69! USER MOD Single : A 1 ALA N :NH3+ -122:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00314 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot -66:sc= 1.22 USER MOD Single : A 14 TYR OH : rot 21:sc= 0.335 USER MOD Single : A 15 ASN : amide:sc= -0.299 K(o=-0.3,f=-5!) USER MOD Single : A 20 THR OG1 : rot 89:sc= 0.332 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.12) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -107:sc= -1.21 (180deg=-3.63!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 1.69 (180deg=1.68) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -39:sc= 0.0327 USER MOD Single : A 46 ASN : amide:sc= 0.212 K(o=0.21,f=-8!) USER MOD Single : A 48 ASN : amide:sc= -3.62! C(o=-3.6!,f=-2.3!) USER MOD Single : A 49 ASN : amide:sc= -0.118 K(o=-0.12,f=-4.2!) USER MOD Single : A 50 ASN : amide:sc= -0.264 K(o=-0.26,f=-1) USER MOD Single : A 52 ASN : amide:sc= 0.385 K(o=0.38,f=-4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot -147:sc= -0.183 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 141:sc= -0.127 (180deg=-0.752) USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 0.401 (180deg=0.392) USER MOD Single : A 83 TYR OH : rot -92:sc= 0.426 USER MOD Single : A 86 TYR OH : rot 21:sc= -0.792! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0404 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 99 SER OG : rot -56:sc= 0.00217 USER MOD Single : A 102 TYR OH : rot -167:sc= 1.27 USER MOD Single : A 103 GLN : amide:sc= -2.53 K(o=-2.5,f=-0.53) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 46:sc= 0.606 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.491 18.996 13.529 1.00 0.00 N ATOM 2 CA ALA A 1 -8.159 18.566 13.050 1.00 0.00 C ATOM 3 C ALA A 1 -8.210 18.201 11.580 1.00 0.00 C ATOM 4 O ALA A 1 -9.284 18.111 10.985 1.00 0.00 O ATOM 5 CB ALA A 1 -7.652 17.383 13.862 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.427 19.960 13.915 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.165 18.985 12.737 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.819 18.347 14.272 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.470 19.401 13.179 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.671 17.082 13.494 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.574 17.669 14.911 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.347 16.549 13.764 1.00 0.00 H new ATOM 13 N SER A 2 -7.038 17.997 11.004 1.00 0.00 N ATOM 14 CA SER A 2 -6.919 17.658 9.598 1.00 0.00 C ATOM 15 C SER A 2 -6.923 16.144 9.402 1.00 0.00 C ATOM 16 O SER A 2 -7.110 15.387 10.358 1.00 0.00 O ATOM 17 CB SER A 2 -5.630 18.246 9.025 1.00 0.00 C ATOM 18 OG SER A 2 -5.548 19.643 9.253 1.00 0.00 O ATOM 0 H SER A 2 -6.147 18.061 11.496 1.00 0.00 H new ATOM 0 HA SER A 2 -7.776 18.080 9.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.771 17.752 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.583 18.048 7.954 1.00 0.00 H new ATOM 0 HG SER A 2 -4.712 19.987 8.876 1.00 0.00 H new ATOM 24 N ILE A 3 -6.731 15.719 8.157 1.00 0.00 N ATOM 25 CA ILE A 3 -6.648 14.302 7.811 1.00 0.00 C ATOM 26 C ILE A 3 -5.578 13.561 8.632 1.00 0.00 C ATOM 27 O ILE A 3 -5.885 12.557 9.277 1.00 0.00 O ATOM 28 CB ILE A 3 -6.343 14.114 6.310 1.00 0.00 C ATOM 29 CG1 ILE A 3 -7.231 15.023 5.460 1.00 0.00 C ATOM 30 CG2 ILE A 3 -6.523 12.658 5.906 1.00 0.00 C ATOM 31 CD1 ILE A 3 -8.712 14.824 5.690 1.00 0.00 C ATOM 0 H ILE A 3 -6.628 16.346 7.359 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.623 13.875 8.047 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.304 14.393 6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.977 16.062 5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.010 14.848 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.304 12.545 4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.844 12.033 6.485 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.551 12.351 6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.274 15.505 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.982 13.795 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.949 15.028 6.734 1.00 0.00 H new ATOM 43 N PRO A 4 -4.307 14.028 8.609 1.00 0.00 N ATOM 44 CA PRO A 4 -3.215 13.356 9.316 1.00 0.00 C ATOM 45 C PRO A 4 -3.505 13.150 10.797 1.00 0.00 C ATOM 46 O PRO A 4 -3.977 14.055 11.489 1.00 0.00 O ATOM 47 CB PRO A 4 -2.014 14.284 9.144 1.00 0.00 C ATOM 48 CG PRO A 4 -2.562 15.570 8.623 1.00 0.00 C ATOM 49 CD PRO A 4 -3.827 15.224 7.900 1.00 0.00 C ATOM 0 HA PRO A 4 -3.054 12.357 8.912 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.498 14.435 10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.288 13.859 8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.758 16.268 9.437 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.851 16.053 7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -4.552 16.037 7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.644 15.020 6.845 1.00 0.00 H new ATOM 57 N SER A 5 -3.212 11.952 11.266 1.00 0.00 N ATOM 58 CA SER A 5 -3.457 11.581 12.647 1.00 0.00 C ATOM 59 C SER A 5 -2.722 10.287 12.975 1.00 0.00 C ATOM 60 O SER A 5 -1.974 10.218 13.951 1.00 0.00 O ATOM 61 CB SER A 5 -4.960 11.413 12.900 1.00 0.00 C ATOM 62 OG SER A 5 -5.229 11.175 14.273 1.00 0.00 O ATOM 0 H SER A 5 -2.798 11.210 10.702 1.00 0.00 H new ATOM 0 HA SER A 5 -3.085 12.376 13.293 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.488 12.309 12.574 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.341 10.584 12.304 1.00 0.00 H new ATOM 0 HG SER A 5 -6.195 11.074 14.404 1.00 0.00 H new ATOM 68 N SER A 6 -2.928 9.266 12.150 1.00 0.00 N ATOM 69 CA SER A 6 -2.319 7.969 12.389 1.00 0.00 C ATOM 70 C SER A 6 -0.893 7.921 11.848 1.00 0.00 C ATOM 71 O SER A 6 0.065 8.041 12.612 1.00 0.00 O ATOM 72 CB SER A 6 -3.176 6.855 11.776 1.00 0.00 C ATOM 73 OG SER A 6 -4.480 6.857 12.337 1.00 0.00 O ATOM 0 H SER A 6 -3.510 9.314 11.314 1.00 0.00 H new ATOM 0 HA SER A 6 -2.268 7.811 13.466 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.239 6.991 10.696 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.702 5.889 11.948 1.00 0.00 H new ATOM 0 HG SER A 6 -5.012 6.140 11.932 1.00 0.00 H new ATOM 79 N ALA A 7 -0.745 7.773 10.539 1.00 0.00 N ATOM 80 CA ALA A 7 0.563 7.642 9.942 1.00 0.00 C ATOM 81 C ALA A 7 0.656 8.428 8.641 1.00 0.00 C ATOM 82 O ALA A 7 -0.273 9.154 8.277 1.00 0.00 O ATOM 83 CB ALA A 7 0.862 6.178 9.686 1.00 0.00 C ATOM 0 H ALA A 7 -1.519 7.741 9.876 1.00 0.00 H new ATOM 0 HA ALA A 7 1.299 8.050 10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.850 6.082 9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.838 5.632 10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.113 5.767 9.009 1.00 0.00 H new ATOM 89 N SER A 8 1.774 8.275 7.946 1.00 0.00 N ATOM 90 CA SER A 8 1.970 8.919 6.658 1.00 0.00 C ATOM 91 C SER A 8 1.014 8.323 5.626 1.00 0.00 C ATOM 92 O SER A 8 0.561 9.002 4.702 1.00 0.00 O ATOM 93 CB SER A 8 3.418 8.726 6.203 1.00 0.00 C ATOM 94 OG SER A 8 4.321 8.926 7.278 1.00 0.00 O ATOM 0 H SER A 8 2.562 7.707 8.256 1.00 0.00 H new ATOM 0 HA SER A 8 1.764 9.985 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.545 7.722 5.799 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.646 9.424 5.398 1.00 0.00 H new ATOM 0 HG SER A 8 5.240 8.795 6.962 1.00 0.00 H new ATOM 100 N VAL A 9 0.698 7.052 5.808 1.00 0.00 N ATOM 101 CA VAL A 9 -0.165 6.341 4.892 1.00 0.00 C ATOM 102 C VAL A 9 -1.102 5.418 5.658 1.00 0.00 C ATOM 103 O VAL A 9 -0.767 4.934 6.740 1.00 0.00 O ATOM 104 CB VAL A 9 0.660 5.549 3.843 1.00 0.00 C ATOM 105 CG1 VAL A 9 1.847 4.868 4.487 1.00 0.00 C ATOM 106 CG2 VAL A 9 -0.189 4.521 3.104 1.00 0.00 C ATOM 0 H VAL A 9 1.032 6.490 6.591 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.766 7.073 4.352 1.00 0.00 H new ATOM 0 HB VAL A 9 1.019 6.275 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.407 4.320 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.492 5.618 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.498 4.174 5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.430 3.991 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.602 3.809 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.003 5.027 2.584 1.00 0.00 H new ATOM 116 N GLN A 10 -2.282 5.223 5.101 1.00 0.00 N ATOM 117 CA GLN A 10 -3.300 4.378 5.690 1.00 0.00 C ATOM 118 C GLN A 10 -3.997 3.601 4.581 1.00 0.00 C ATOM 119 O GLN A 10 -4.417 4.177 3.581 1.00 0.00 O ATOM 120 CB GLN A 10 -4.315 5.233 6.456 1.00 0.00 C ATOM 121 CG GLN A 10 -5.355 4.424 7.211 1.00 0.00 C ATOM 122 CD GLN A 10 -6.404 5.297 7.870 1.00 0.00 C ATOM 123 OE1 GLN A 10 -6.239 5.739 9.007 1.00 0.00 O ATOM 124 NE2 GLN A 10 -7.501 5.538 7.171 1.00 0.00 N ATOM 0 H GLN A 10 -2.562 5.651 4.219 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.840 3.681 6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.781 5.869 7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.823 5.894 5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.842 3.733 6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.859 3.821 7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.602 5.154 6.231 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.246 6.108 7.572 1.00 0.00 H new ATOM 133 N LEU A 11 -4.099 2.299 4.741 1.00 0.00 N ATOM 134 CA LEU A 11 -4.758 1.476 3.745 1.00 0.00 C ATOM 135 C LEU A 11 -6.254 1.748 3.718 1.00 0.00 C ATOM 136 O LEU A 11 -6.882 1.971 4.756 1.00 0.00 O ATOM 137 CB LEU A 11 -4.531 0.004 4.046 1.00 0.00 C ATOM 138 CG LEU A 11 -5.183 -0.959 3.057 1.00 0.00 C ATOM 139 CD1 LEU A 11 -4.402 -0.985 1.751 1.00 0.00 C ATOM 140 CD2 LEU A 11 -5.259 -2.339 3.681 1.00 0.00 C ATOM 0 H LEU A 11 -3.737 1.788 5.546 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.332 1.725 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.458 -0.187 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.910 -0.211 5.045 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.194 -0.622 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.879 -1.676 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.387 0.014 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.380 -1.312 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.724 -3.031 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.254 -2.686 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.854 -2.294 4.593 1.00 0.00 H new ATOM 152 N ASP A 12 -6.815 1.741 2.521 1.00 0.00 N ATOM 153 CA ASP A 12 -8.248 1.886 2.352 1.00 0.00 C ATOM 154 C ASP A 12 -8.916 0.537 2.478 1.00 0.00 C ATOM 155 O ASP A 12 -9.624 0.261 3.445 1.00 0.00 O ATOM 156 CB ASP A 12 -8.569 2.455 0.978 1.00 0.00 C ATOM 157 CG ASP A 12 -10.056 2.644 0.762 1.00 0.00 C ATOM 158 OD1 ASP A 12 -10.625 3.623 1.283 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.661 1.808 0.064 1.00 0.00 O ATOM 0 H ASP A 12 -6.296 1.636 1.649 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.615 2.564 3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.063 3.413 0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.176 1.788 0.211 1.00 0.00 H new ATOM 164 N SER A 13 -8.656 -0.297 1.487 1.00 0.00 N ATOM 165 CA SER A 13 -9.258 -1.627 1.411 1.00 0.00 C ATOM 166 C SER A 13 -8.722 -2.420 0.234 1.00 0.00 C ATOM 167 O SER A 13 -8.087 -1.876 -0.674 1.00 0.00 O ATOM 168 CB SER A 13 -10.786 -1.516 1.314 1.00 0.00 C ATOM 169 OG SER A 13 -11.180 -0.745 0.187 1.00 0.00 O ATOM 0 H SER A 13 -8.027 -0.079 0.714 1.00 0.00 H new ATOM 0 HA SER A 13 -8.991 -2.160 2.324 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.221 -2.513 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.178 -1.060 2.223 1.00 0.00 H new ATOM 0 HG SER A 13 -10.890 0.183 0.308 1.00 0.00 H new ATOM 175 N TYR A 14 -8.974 -3.717 0.284 1.00 0.00 N ATOM 176 CA TYR A 14 -8.532 -4.655 -0.728 1.00 0.00 C ATOM 177 C TYR A 14 -9.439 -5.876 -0.686 1.00 0.00 C ATOM 178 O TYR A 14 -10.037 -6.170 0.350 1.00 0.00 O ATOM 179 CB TYR A 14 -7.089 -5.064 -0.454 1.00 0.00 C ATOM 180 CG TYR A 14 -6.923 -5.728 0.887 1.00 0.00 C ATOM 181 CD1 TYR A 14 -7.068 -7.090 1.014 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.631 -4.992 2.015 1.00 0.00 C ATOM 183 CE1 TYR A 14 -6.929 -7.717 2.229 1.00 0.00 C ATOM 184 CE2 TYR A 14 -6.487 -5.599 3.248 1.00 0.00 C ATOM 185 CZ TYR A 14 -6.638 -6.969 3.351 1.00 0.00 C ATOM 186 OH TYR A 14 -6.500 -7.588 4.576 1.00 0.00 O ATOM 0 H TYR A 14 -9.500 -4.152 1.042 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.581 -4.194 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.753 -5.744 -1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.450 -4.182 -0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.296 -7.680 0.139 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.513 -3.922 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.047 -8.788 2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.259 -5.008 4.123 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.311 -8.540 4.442 1.00 0.00 H new ATOM 196 N ASN A 15 -9.554 -6.578 -1.796 1.00 0.00 N ATOM 197 CA ASN A 15 -10.389 -7.767 -1.852 1.00 0.00 C ATOM 198 C ASN A 15 -9.625 -8.922 -2.463 1.00 0.00 C ATOM 199 O ASN A 15 -8.621 -8.729 -3.149 1.00 0.00 O ATOM 200 CB ASN A 15 -11.661 -7.536 -2.685 1.00 0.00 C ATOM 201 CG ASN A 15 -12.640 -6.542 -2.085 1.00 0.00 C ATOM 202 OD1 ASN A 15 -12.258 -5.557 -1.456 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.920 -6.801 -2.281 1.00 0.00 N ATOM 0 H ASN A 15 -9.082 -6.349 -2.671 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.674 -7.999 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.372 -7.187 -3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.170 -8.491 -2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.631 -6.173 -1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.198 -7.629 -2.808 1.00 0.00 H new ATOM 210 N TYR A 16 -10.107 -10.119 -2.195 1.00 0.00 N ATOM 211 CA TYR A 16 -9.627 -11.310 -2.862 1.00 0.00 C ATOM 212 C TYR A 16 -10.811 -11.973 -3.533 1.00 0.00 C ATOM 213 O TYR A 16 -11.899 -12.051 -2.954 1.00 0.00 O ATOM 214 CB TYR A 16 -8.988 -12.281 -1.872 1.00 0.00 C ATOM 215 CG TYR A 16 -7.995 -13.241 -2.498 1.00 0.00 C ATOM 216 CD1 TYR A 16 -6.775 -12.787 -2.983 1.00 0.00 C ATOM 217 CD2 TYR A 16 -8.268 -14.603 -2.585 1.00 0.00 C ATOM 218 CE1 TYR A 16 -5.860 -13.658 -3.538 1.00 0.00 C ATOM 219 CE2 TYR A 16 -7.355 -15.480 -3.143 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.152 -15.001 -3.617 1.00 0.00 C ATOM 221 OH TYR A 16 -5.236 -15.866 -4.170 1.00 0.00 O ATOM 0 H TYR A 16 -10.842 -10.292 -1.509 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.865 -11.035 -3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.483 -11.709 -1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.775 -12.856 -1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.539 -11.735 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.208 -14.981 -2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.916 -13.287 -3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.583 -16.534 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.301 -15.831 -5.147 1.00 0.00 H new ATOM 231 N ASP A 17 -10.604 -12.444 -4.738 1.00 0.00 N ATOM 232 CA ASP A 17 -11.690 -12.989 -5.540 1.00 0.00 C ATOM 233 C ASP A 17 -11.153 -13.999 -6.531 1.00 0.00 C ATOM 234 O ASP A 17 -10.394 -13.646 -7.432 1.00 0.00 O ATOM 235 CB ASP A 17 -12.438 -11.864 -6.260 1.00 0.00 C ATOM 236 CG ASP A 17 -13.584 -12.371 -7.110 1.00 0.00 C ATOM 237 OD1 ASP A 17 -14.218 -13.379 -6.727 1.00 0.00 O ATOM 238 OD2 ASP A 17 -13.867 -11.757 -8.161 1.00 0.00 O ATOM 0 H ASP A 17 -9.692 -12.464 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.393 -13.497 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.823 -11.160 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.739 -11.315 -6.891 1.00 0.00 H new ATOM 243 N GLY A 18 -11.555 -15.256 -6.362 1.00 0.00 N ATOM 244 CA GLY A 18 -10.916 -16.338 -7.081 1.00 0.00 C ATOM 245 C GLY A 18 -9.457 -16.392 -6.701 1.00 0.00 C ATOM 246 O GLY A 18 -9.090 -16.986 -5.686 1.00 0.00 O ATOM 0 H GLY A 18 -12.311 -15.542 -5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.401 -17.285 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.019 -16.187 -8.156 1.00 0.00 H new ATOM 250 N SER A 19 -8.627 -15.767 -7.512 1.00 0.00 N ATOM 251 CA SER A 19 -7.297 -15.418 -7.102 1.00 0.00 C ATOM 252 C SER A 19 -6.991 -14.019 -7.648 1.00 0.00 C ATOM 253 O SER A 19 -6.483 -13.870 -8.757 1.00 0.00 O ATOM 254 CB SER A 19 -6.333 -16.461 -7.661 1.00 0.00 C ATOM 255 OG SER A 19 -5.047 -16.352 -7.086 1.00 0.00 O ATOM 0 H SER A 19 -8.861 -15.492 -8.466 1.00 0.00 H new ATOM 0 HA SER A 19 -7.194 -15.403 -6.017 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.730 -17.459 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.258 -16.344 -8.742 1.00 0.00 H new ATOM 0 HG SER A 19 -4.653 -15.488 -7.328 1.00 0.00 H new ATOM 261 N THR A 20 -7.343 -12.995 -6.877 1.00 0.00 N ATOM 262 CA THR A 20 -7.155 -11.613 -7.308 1.00 0.00 C ATOM 263 C THR A 20 -6.826 -10.698 -6.127 1.00 0.00 C ATOM 264 O THR A 20 -7.406 -10.836 -5.056 1.00 0.00 O ATOM 265 CB THR A 20 -8.403 -11.084 -8.048 1.00 0.00 C ATOM 266 OG1 THR A 20 -8.693 -11.928 -9.172 1.00 0.00 O ATOM 267 CG2 THR A 20 -8.199 -9.656 -8.535 1.00 0.00 C ATOM 0 H THR A 20 -7.760 -13.095 -5.951 1.00 0.00 H new ATOM 0 HA THR A 20 -6.310 -11.606 -7.996 1.00 0.00 H new ATOM 0 HB THR A 20 -9.236 -11.092 -7.345 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.286 -12.656 -8.890 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.097 -9.316 -9.051 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.002 -9.006 -7.683 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.352 -9.623 -9.220 1.00 0.00 H new ATOM 275 N PHE A 21 -5.907 -9.769 -6.339 1.00 0.00 N ATOM 276 CA PHE A 21 -5.532 -8.780 -5.335 1.00 0.00 C ATOM 277 C PHE A 21 -5.917 -7.399 -5.825 1.00 0.00 C ATOM 278 O PHE A 21 -5.229 -6.789 -6.624 1.00 0.00 O ATOM 279 CB PHE A 21 -4.031 -8.870 -5.090 1.00 0.00 C ATOM 280 CG PHE A 21 -3.466 -7.922 -4.085 1.00 0.00 C ATOM 281 CD1 PHE A 21 -4.048 -7.795 -2.856 1.00 0.00 C ATOM 282 CD2 PHE A 21 -2.325 -7.194 -4.363 1.00 0.00 C ATOM 283 CE1 PHE A 21 -3.516 -6.953 -1.907 1.00 0.00 C ATOM 284 CE2 PHE A 21 -1.788 -6.343 -3.424 1.00 0.00 C ATOM 285 CZ PHE A 21 -2.385 -6.224 -2.190 1.00 0.00 C ATOM 0 H PHE A 21 -5.396 -9.678 -7.217 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.054 -8.972 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.797 -9.886 -4.771 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.519 -8.708 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.937 -8.363 -2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.849 -7.294 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.987 -6.865 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.902 -5.771 -3.655 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.967 -5.561 -1.447 1.00 0.00 H new ATOM 295 N SER A 22 -7.029 -6.922 -5.351 1.00 0.00 N ATOM 296 CA SER A 22 -7.563 -5.647 -5.803 1.00 0.00 C ATOM 297 C SER A 22 -7.831 -4.740 -4.618 1.00 0.00 C ATOM 298 O SER A 22 -8.118 -5.220 -3.530 1.00 0.00 O ATOM 299 CB SER A 22 -8.848 -5.882 -6.598 1.00 0.00 C ATOM 300 OG SER A 22 -9.735 -6.731 -5.885 1.00 0.00 O ATOM 0 H SER A 22 -7.597 -7.392 -4.646 1.00 0.00 H new ATOM 0 HA SER A 22 -6.831 -5.160 -6.448 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.335 -4.928 -6.801 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.607 -6.328 -7.563 1.00 0.00 H new ATOM 0 HG SER A 22 -10.551 -6.867 -6.410 1.00 0.00 H new ATOM 306 N GLY A 23 -7.724 -3.438 -4.818 1.00 0.00 N ATOM 307 CA GLY A 23 -7.978 -2.518 -3.734 1.00 0.00 C ATOM 308 C GLY A 23 -7.511 -1.116 -4.038 1.00 0.00 C ATOM 309 O GLY A 23 -7.265 -0.769 -5.197 1.00 0.00 O ATOM 0 H GLY A 23 -7.468 -3.004 -5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.047 -2.502 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.478 -2.876 -2.834 1.00 0.00 H new ATOM 313 N LYS A 24 -7.371 -0.314 -2.997 1.00 0.00 N ATOM 314 CA LYS A 24 -6.971 1.069 -3.151 1.00 0.00 C ATOM 315 C LYS A 24 -6.380 1.588 -1.835 1.00 0.00 C ATOM 316 O LYS A 24 -6.558 0.963 -0.786 1.00 0.00 O ATOM 317 CB LYS A 24 -8.174 1.886 -3.630 1.00 0.00 C ATOM 318 CG LYS A 24 -8.747 2.854 -2.601 1.00 0.00 C ATOM 319 CD LYS A 24 -9.937 3.620 -3.165 1.00 0.00 C ATOM 320 CE LYS A 24 -11.127 2.705 -3.429 1.00 0.00 C ATOM 321 NZ LYS A 24 -11.889 2.412 -2.186 1.00 0.00 N ATOM 0 H LYS A 24 -7.530 -0.601 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.189 1.165 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.881 2.451 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.962 1.198 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.054 2.303 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.974 3.557 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.229 4.403 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.645 4.113 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.789 3.172 -4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.776 1.771 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.638 1.721 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.246 2.021 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.317 3.289 -1.826 1.00 0.00 H new ATOM 335 N ILE A 25 -5.665 2.712 -1.887 1.00 0.00 N ATOM 336 CA ILE A 25 -4.859 3.158 -0.750 1.00 0.00 C ATOM 337 C ILE A 25 -5.025 4.665 -0.489 1.00 0.00 C ATOM 338 O ILE A 25 -5.450 5.417 -1.368 1.00 0.00 O ATOM 339 CB ILE A 25 -3.367 2.825 -0.993 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.218 1.367 -1.444 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.532 3.069 0.258 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.792 0.942 -1.711 1.00 0.00 C ATOM 0 H ILE A 25 -5.627 3.328 -2.699 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.212 2.626 0.134 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.001 3.486 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.641 0.717 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.805 1.217 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.490 2.825 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.609 4.117 0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.899 2.440 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.776 -0.102 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.368 1.564 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.202 1.056 -0.802 1.00 0.00 H new ATOM 354 N TYR A 26 -4.678 5.085 0.728 1.00 0.00 N ATOM 355 CA TYR A 26 -4.885 6.454 1.197 1.00 0.00 C ATOM 356 C TYR A 26 -3.595 6.978 1.869 1.00 0.00 C ATOM 357 O TYR A 26 -3.297 6.610 3.002 1.00 0.00 O ATOM 358 CB TYR A 26 -6.035 6.400 2.207 1.00 0.00 C ATOM 359 CG TYR A 26 -6.711 7.709 2.535 1.00 0.00 C ATOM 360 CD1 TYR A 26 -6.060 8.695 3.256 1.00 0.00 C ATOM 361 CD2 TYR A 26 -8.030 7.929 2.163 1.00 0.00 C ATOM 362 CE1 TYR A 26 -6.704 9.871 3.596 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.680 9.102 2.489 1.00 0.00 C ATOM 364 CZ TYR A 26 -8.013 10.071 3.208 1.00 0.00 C ATOM 365 OH TYR A 26 -8.661 11.239 3.549 1.00 0.00 O ATOM 0 H TYR A 26 -4.241 4.478 1.422 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.125 7.127 0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.791 5.713 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.654 5.972 3.134 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.034 8.544 3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.558 7.168 1.608 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.184 10.629 4.163 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.704 9.260 2.183 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.576 11.220 3.198 1.00 0.00 H new ATOM 375 N VAL A 27 -2.821 7.826 1.187 1.00 0.00 N ATOM 376 CA VAL A 27 -1.502 8.222 1.714 1.00 0.00 C ATOM 377 C VAL A 27 -1.261 9.726 1.551 1.00 0.00 C ATOM 378 O VAL A 27 -1.803 10.343 0.647 1.00 0.00 O ATOM 379 CB VAL A 27 -0.341 7.426 1.034 1.00 0.00 C ATOM 380 CG1 VAL A 27 -0.864 6.222 0.267 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.508 8.301 0.120 1.00 0.00 C ATOM 0 H VAL A 27 -3.071 8.245 0.291 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.508 7.981 2.777 1.00 0.00 H new ATOM 0 HB VAL A 27 0.299 7.074 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.029 5.693 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.385 5.553 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.553 6.556 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.300 7.700 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.118 8.720 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.951 9.111 0.700 1.00 0.00 H new ATOM 391 N LYS A 28 -0.450 10.306 2.439 1.00 0.00 N ATOM 392 CA LYS A 28 -0.110 11.725 2.373 1.00 0.00 C ATOM 393 C LYS A 28 0.914 11.966 1.273 1.00 0.00 C ATOM 394 O LYS A 28 1.667 11.065 0.913 1.00 0.00 O ATOM 395 CB LYS A 28 0.451 12.223 3.714 1.00 0.00 C ATOM 396 CG LYS A 28 1.870 11.745 4.001 1.00 0.00 C ATOM 397 CD LYS A 28 2.396 12.215 5.354 1.00 0.00 C ATOM 398 CE LYS A 28 2.673 13.716 5.398 1.00 0.00 C ATOM 399 NZ LYS A 28 1.429 14.526 5.506 1.00 0.00 N ATOM 0 H LYS A 28 -0.015 9.809 3.216 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.022 12.279 2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.436 13.313 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.205 11.889 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.894 10.656 3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.534 12.104 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.671 11.962 6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.313 11.675 5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.321 13.937 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.215 14.008 4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.239 14.993 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.631 13.906 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.547 15.246 6.247 1.00 0.00 H new ATOM 413 N ASN A 29 0.925 13.159 0.715 1.00 0.00 N ATOM 414 CA ASN A 29 1.929 13.500 -0.284 1.00 0.00 C ATOM 415 C ASN A 29 2.992 14.415 0.322 1.00 0.00 C ATOM 416 O ASN A 29 2.679 15.485 0.842 1.00 0.00 O ATOM 417 CB ASN A 29 1.295 14.165 -1.509 1.00 0.00 C ATOM 418 CG ASN A 29 2.249 14.262 -2.662 1.00 0.00 C ATOM 419 OD1 ASN A 29 3.108 13.403 -2.859 1.00 0.00 O ATOM 420 ND2 ASN A 29 2.100 15.318 -3.426 1.00 0.00 N ATOM 0 H ASN A 29 0.261 13.903 0.929 1.00 0.00 H new ATOM 0 HA ASN A 29 2.401 12.574 -0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.416 13.597 -1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.951 15.164 -1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.713 15.457 -4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.371 16.000 -3.217 1.00 0.00 H new ATOM 427 N ILE A 30 4.242 13.974 0.270 1.00 0.00 N ATOM 428 CA ILE A 30 5.365 14.746 0.796 1.00 0.00 C ATOM 429 C ILE A 30 6.179 15.309 -0.356 1.00 0.00 C ATOM 430 O ILE A 30 6.432 16.511 -0.446 1.00 0.00 O ATOM 431 CB ILE A 30 6.265 13.877 1.692 1.00 0.00 C ATOM 432 CG1 ILE A 30 5.544 13.563 2.995 1.00 0.00 C ATOM 433 CG2 ILE A 30 7.588 14.569 1.979 1.00 0.00 C ATOM 434 CD1 ILE A 30 5.789 12.163 3.472 1.00 0.00 C ATOM 0 H ILE A 30 4.507 13.076 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 30 4.968 15.561 1.401 1.00 0.00 H new ATOM 0 HB ILE A 30 6.480 12.948 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.868 14.265 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.473 13.713 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.202 13.931 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.110 14.758 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.401 15.515 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.250 11.997 4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.439 11.456 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.856 12.017 3.639 1.00 0.00 H new ATOM 446 N ALA A 31 6.560 14.411 -1.244 1.00 0.00 N ATOM 447 CA ALA A 31 7.210 14.743 -2.468 1.00 0.00 C ATOM 448 C ALA A 31 6.504 13.937 -3.523 1.00 0.00 C ATOM 449 O ALA A 31 5.948 12.880 -3.209 1.00 0.00 O ATOM 450 CB ALA A 31 8.691 14.408 -2.416 1.00 0.00 C ATOM 0 H ALA A 31 6.416 13.409 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 31 7.157 15.812 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.158 14.673 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.163 14.970 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.816 13.340 -2.236 1.00 0.00 H new ATOM 456 N TYR A 32 6.496 14.424 -4.734 1.00 0.00 N ATOM 457 CA TYR A 32 5.683 13.838 -5.775 1.00 0.00 C ATOM 458 C TYR A 32 6.014 12.370 -6.038 1.00 0.00 C ATOM 459 O TYR A 32 5.350 11.519 -5.450 1.00 0.00 O ATOM 460 CB TYR A 32 5.815 14.675 -7.016 1.00 0.00 C ATOM 461 CG TYR A 32 4.947 15.910 -6.986 1.00 0.00 C ATOM 462 CD1 TYR A 32 3.599 15.826 -6.652 1.00 0.00 C ATOM 463 CD2 TYR A 32 5.472 17.160 -7.288 1.00 0.00 C ATOM 464 CE1 TYR A 32 2.803 16.953 -6.619 1.00 0.00 C ATOM 465 CE2 TYR A 32 4.681 18.291 -7.257 1.00 0.00 C ATOM 466 CZ TYR A 32 3.348 18.182 -6.921 1.00 0.00 C ATOM 467 OH TYR A 32 2.557 19.309 -6.892 1.00 0.00 O ATOM 0 H TYR A 32 7.046 15.231 -5.029 1.00 0.00 H new ATOM 0 HA TYR A 32 4.645 13.836 -5.443 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.857 14.972 -7.139 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.551 14.072 -7.885 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.169 14.864 -6.415 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.516 17.249 -7.551 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.758 16.872 -6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.104 19.256 -7.495 1.00 0.00 H new ATOM 0 HH TYR A 32 3.096 20.093 -7.129 1.00 0.00 H new ATOM 477 N SER A 33 7.049 12.096 -6.873 1.00 0.00 N ATOM 478 CA SER A 33 7.411 10.724 -7.324 1.00 0.00 C ATOM 479 C SER A 33 6.875 9.658 -6.371 1.00 0.00 C ATOM 480 O SER A 33 7.411 9.441 -5.281 1.00 0.00 O ATOM 481 CB SER A 33 8.929 10.611 -7.462 1.00 0.00 C ATOM 482 OG SER A 33 9.435 11.617 -8.331 1.00 0.00 O ATOM 0 H SER A 33 7.658 12.820 -7.254 1.00 0.00 H new ATOM 0 HA SER A 33 6.948 10.550 -8.295 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.395 10.704 -6.481 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.191 9.626 -7.848 1.00 0.00 H new ATOM 0 HG SER A 33 10.408 11.527 -8.404 1.00 0.00 H new ATOM 488 N LYS A 34 5.811 8.989 -6.796 1.00 0.00 N ATOM 489 CA LYS A 34 4.839 8.503 -5.862 1.00 0.00 C ATOM 490 C LYS A 34 5.019 7.069 -5.406 1.00 0.00 C ATOM 491 O LYS A 34 4.864 6.080 -6.119 1.00 0.00 O ATOM 492 CB LYS A 34 3.447 8.744 -6.408 1.00 0.00 C ATOM 493 CG LYS A 34 3.232 10.194 -6.779 1.00 0.00 C ATOM 494 CD LYS A 34 1.864 10.468 -7.367 1.00 0.00 C ATOM 495 CE LYS A 34 1.744 11.931 -7.765 1.00 0.00 C ATOM 496 NZ LYS A 34 0.344 12.313 -8.068 1.00 0.00 N ATOM 0 H LYS A 34 5.612 8.779 -7.774 1.00 0.00 H new ATOM 0 HA LYS A 34 4.996 9.078 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.287 8.117 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.708 8.446 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.368 10.812 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.995 10.494 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.701 9.833 -8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.091 10.217 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.124 12.558 -6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.368 12.121 -8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.313 13.309 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.023 11.710 -8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.242 12.189 -7.218 1.00 0.00 H new ATOM 510 N LYS A 35 5.356 7.080 -4.161 1.00 0.00 N ATOM 511 CA LYS A 35 5.451 6.013 -3.230 1.00 0.00 C ATOM 512 C LYS A 35 4.255 5.127 -2.950 1.00 0.00 C ATOM 513 O LYS A 35 3.702 5.214 -1.861 1.00 0.00 O ATOM 514 CB LYS A 35 5.538 6.885 -2.007 1.00 0.00 C ATOM 515 CG LYS A 35 4.474 7.989 -2.088 1.00 0.00 C ATOM 516 CD LYS A 35 4.979 9.356 -1.649 1.00 0.00 C ATOM 517 CE LYS A 35 3.901 10.431 -1.778 1.00 0.00 C ATOM 518 NZ LYS A 35 3.486 10.672 -3.191 1.00 0.00 N ATOM 0 H LYS A 35 5.605 7.963 -3.715 1.00 0.00 H new ATOM 0 HA LYS A 35 6.211 5.303 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.388 6.286 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.531 7.327 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.111 8.057 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.623 7.709 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.316 9.303 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.843 9.634 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.029 10.136 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.271 11.362 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.060 11.618 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.318 10.613 -3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.790 9.954 -3.476 1.00 0.00 H new ATOM 532 N VAL A 36 3.979 4.174 -3.799 1.00 0.00 N ATOM 533 CA VAL A 36 3.256 2.997 -3.374 1.00 0.00 C ATOM 534 C VAL A 36 3.773 1.752 -4.053 1.00 0.00 C ATOM 535 O VAL A 36 3.645 1.580 -5.267 1.00 0.00 O ATOM 536 CB VAL A 36 1.732 3.086 -3.526 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.133 1.720 -3.311 1.00 0.00 C ATOM 538 CG2 VAL A 36 1.161 4.049 -2.508 1.00 0.00 C ATOM 0 H VAL A 36 4.240 4.185 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 36 3.447 2.937 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 36 1.493 3.445 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.050 1.777 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.535 1.026 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.381 1.367 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.079 4.104 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.399 3.700 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.593 5.038 -2.661 1.00 0.00 H new ATOM 548 N THR A 37 4.353 0.890 -3.259 1.00 0.00 N ATOM 549 CA THR A 37 4.782 -0.404 -3.728 1.00 0.00 C ATOM 550 C THR A 37 4.300 -1.482 -2.775 1.00 0.00 C ATOM 551 O THR A 37 4.841 -1.663 -1.686 1.00 0.00 O ATOM 552 CB THR A 37 6.303 -0.456 -3.901 1.00 0.00 C ATOM 553 OG1 THR A 37 6.952 0.257 -2.842 1.00 0.00 O ATOM 554 CG2 THR A 37 6.694 0.143 -5.237 1.00 0.00 C ATOM 0 H THR A 37 4.541 1.063 -2.272 1.00 0.00 H new ATOM 0 HA THR A 37 4.341 -0.583 -4.709 1.00 0.00 H new ATOM 0 HB THR A 37 6.620 -1.498 -3.868 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.712 0.759 -3.203 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.777 0.102 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.223 -0.422 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.364 1.181 -5.281 1.00 0.00 H new ATOM 562 N VAL A 38 3.255 -2.166 -3.188 1.00 0.00 N ATOM 563 CA VAL A 38 2.629 -3.180 -2.358 1.00 0.00 C ATOM 564 C VAL A 38 3.490 -4.417 -2.301 1.00 0.00 C ATOM 565 O VAL A 38 3.527 -5.195 -3.248 1.00 0.00 O ATOM 566 CB VAL A 38 1.249 -3.604 -2.882 1.00 0.00 C ATOM 567 CG1 VAL A 38 0.646 -4.664 -1.969 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.319 -2.414 -2.998 1.00 0.00 C ATOM 0 H VAL A 38 2.816 -2.039 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 38 2.512 -2.731 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 38 1.377 -4.026 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.332 -4.958 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.301 -5.535 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.537 -4.259 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.650 -2.745 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.193 -1.954 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.744 -1.686 -3.688 1.00 0.00 H new ATOM 578 N VAL A 39 4.164 -4.603 -1.195 1.00 0.00 N ATOM 579 CA VAL A 39 4.958 -5.799 -1.006 1.00 0.00 C ATOM 580 C VAL A 39 4.216 -6.743 -0.090 1.00 0.00 C ATOM 581 O VAL A 39 4.026 -6.470 1.095 1.00 0.00 O ATOM 582 CB VAL A 39 6.373 -5.510 -0.462 1.00 0.00 C ATOM 583 CG1 VAL A 39 7.259 -4.955 -1.564 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.327 -4.547 0.711 1.00 0.00 C ATOM 0 H VAL A 39 4.182 -3.948 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 39 5.103 -6.257 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 39 6.795 -6.451 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.254 -4.756 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.331 -5.681 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.829 -4.029 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.339 -4.364 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.880 -3.606 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.729 -4.979 1.513 1.00 0.00 H new ATOM 594 N TYR A 40 3.752 -7.832 -0.650 1.00 0.00 N ATOM 595 CA TYR A 40 2.947 -8.750 0.111 1.00 0.00 C ATOM 596 C TYR A 40 3.731 -9.985 0.479 1.00 0.00 C ATOM 597 O TYR A 40 4.660 -10.380 -0.226 1.00 0.00 O ATOM 598 CB TYR A 40 1.661 -9.127 -0.635 1.00 0.00 C ATOM 599 CG TYR A 40 1.824 -9.784 -1.995 1.00 0.00 C ATOM 600 CD1 TYR A 40 2.259 -11.094 -2.126 1.00 0.00 C ATOM 601 CD2 TYR A 40 1.482 -9.100 -3.146 1.00 0.00 C ATOM 602 CE1 TYR A 40 2.361 -11.695 -3.369 1.00 0.00 C ATOM 603 CE2 TYR A 40 1.572 -9.694 -4.389 1.00 0.00 C ATOM 604 CZ TYR A 40 2.015 -10.989 -4.496 1.00 0.00 C ATOM 605 OH TYR A 40 2.105 -11.580 -5.738 1.00 0.00 O ATOM 0 H TYR A 40 3.916 -8.102 -1.620 1.00 0.00 H new ATOM 0 HA TYR A 40 2.660 -8.241 1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.085 -9.800 0.000 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.066 -8.223 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.523 -11.656 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.137 -8.079 -3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.711 -12.713 -3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.295 -9.142 -5.275 1.00 0.00 H new ATOM 0 HH TYR A 40 1.821 -10.942 -6.425 1.00 0.00 H new ATOM 615 N ALA A 41 3.365 -10.578 1.603 1.00 0.00 N ATOM 616 CA ALA A 41 3.913 -11.859 1.988 1.00 0.00 C ATOM 617 C ALA A 41 3.281 -12.901 1.118 1.00 0.00 C ATOM 618 O ALA A 41 2.250 -13.484 1.463 1.00 0.00 O ATOM 619 CB ALA A 41 3.677 -12.170 3.454 1.00 0.00 C ATOM 0 H ALA A 41 2.690 -10.189 2.262 1.00 0.00 H new ATOM 0 HA ALA A 41 4.995 -11.842 1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.107 -13.142 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.148 -11.403 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.606 -12.188 3.654 1.00 0.00 H new ATOM 625 N ASP A 42 3.862 -13.013 -0.057 1.00 0.00 N ATOM 626 CA ASP A 42 3.448 -13.979 -1.085 1.00 0.00 C ATOM 627 C ASP A 42 3.306 -15.415 -0.560 1.00 0.00 C ATOM 628 O ASP A 42 3.415 -15.670 0.640 1.00 0.00 O ATOM 629 CB ASP A 42 4.439 -13.973 -2.255 1.00 0.00 C ATOM 630 CG ASP A 42 5.820 -14.436 -1.852 1.00 0.00 C ATOM 631 OD1 ASP A 42 6.050 -15.661 -1.807 1.00 0.00 O ATOM 632 OD2 ASP A 42 6.678 -13.574 -1.576 1.00 0.00 O ATOM 0 H ASP A 42 4.650 -12.431 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 42 2.461 -13.655 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.061 -14.617 -3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.504 -12.966 -2.666 1.00 0.00 H new ATOM 637 N GLY A 43 3.086 -16.352 -1.476 1.00 0.00 N ATOM 638 CA GLY A 43 2.843 -17.738 -1.103 1.00 0.00 C ATOM 639 C GLY A 43 3.925 -18.333 -0.216 1.00 0.00 C ATOM 640 O GLY A 43 3.647 -19.210 0.604 1.00 0.00 O ATOM 0 H GLY A 43 3.071 -16.176 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.886 -17.803 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.757 -18.339 -2.009 1.00 0.00 H new ATOM 644 N SER A 44 5.150 -17.844 -0.356 1.00 0.00 N ATOM 645 CA SER A 44 6.268 -18.366 0.410 1.00 0.00 C ATOM 646 C SER A 44 6.174 -17.945 1.875 1.00 0.00 C ATOM 647 O SER A 44 6.857 -18.504 2.735 1.00 0.00 O ATOM 648 CB SER A 44 7.584 -17.872 -0.176 1.00 0.00 C ATOM 649 OG SER A 44 8.692 -18.517 0.435 1.00 0.00 O ATOM 0 H SER A 44 5.392 -17.086 -0.994 1.00 0.00 H new ATOM 0 HA SER A 44 6.231 -19.454 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.599 -18.057 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.665 -16.794 -0.037 1.00 0.00 H new ATOM 0 HG SER A 44 8.520 -18.624 1.394 1.00 0.00 H new ATOM 655 N ASP A 45 5.345 -16.933 2.133 1.00 0.00 N ATOM 656 CA ASP A 45 5.089 -16.436 3.487 1.00 0.00 C ATOM 657 C ASP A 45 6.356 -15.785 4.026 1.00 0.00 C ATOM 658 O ASP A 45 6.673 -15.867 5.210 1.00 0.00 O ATOM 659 CB ASP A 45 4.617 -17.574 4.408 1.00 0.00 C ATOM 660 CG ASP A 45 3.748 -17.096 5.558 1.00 0.00 C ATOM 661 OD1 ASP A 45 4.287 -16.581 6.560 1.00 0.00 O ATOM 662 OD2 ASP A 45 2.510 -17.249 5.472 1.00 0.00 O ATOM 0 H ASP A 45 4.831 -16.433 1.408 1.00 0.00 H new ATOM 0 HA ASP A 45 4.292 -15.694 3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.059 -18.301 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.488 -18.091 4.811 1.00 0.00 H new ATOM 667 N ASN A 46 7.073 -15.132 3.128 1.00 0.00 N ATOM 668 CA ASN A 46 8.352 -14.519 3.444 1.00 0.00 C ATOM 669 C ASN A 46 8.511 -13.275 2.581 1.00 0.00 C ATOM 670 O ASN A 46 7.831 -13.140 1.566 1.00 0.00 O ATOM 671 CB ASN A 46 9.497 -15.509 3.176 1.00 0.00 C ATOM 672 CG ASN A 46 10.774 -15.174 3.928 1.00 0.00 C ATOM 673 OD1 ASN A 46 11.045 -14.018 4.246 1.00 0.00 O ATOM 674 ND2 ASN A 46 11.578 -16.189 4.207 1.00 0.00 N ATOM 0 H ASN A 46 6.784 -15.012 2.157 1.00 0.00 H new ATOM 0 HA ASN A 46 8.386 -14.245 4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.173 -16.512 3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.708 -15.528 2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.455 -16.024 4.701 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.320 -17.135 3.927 1.00 0.00 H new ATOM 681 N TRP A 47 9.390 -12.371 2.970 1.00 0.00 N ATOM 682 CA TRP A 47 9.544 -11.125 2.240 1.00 0.00 C ATOM 683 C TRP A 47 10.925 -11.038 1.633 1.00 0.00 C ATOM 684 O TRP A 47 11.837 -10.421 2.186 1.00 0.00 O ATOM 685 CB TRP A 47 9.321 -9.930 3.151 1.00 0.00 C ATOM 686 CG TRP A 47 8.191 -10.109 4.093 1.00 0.00 C ATOM 687 CD1 TRP A 47 8.204 -10.828 5.243 1.00 0.00 C ATOM 688 CD2 TRP A 47 6.889 -9.572 3.960 1.00 0.00 C ATOM 689 NE1 TRP A 47 6.978 -10.754 5.857 1.00 0.00 N ATOM 690 CE2 TRP A 47 6.149 -9.987 5.081 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.281 -8.768 3.002 1.00 0.00 C ATOM 692 CZ2 TRP A 47 4.823 -9.619 5.264 1.00 0.00 C ATOM 693 CZ3 TRP A 47 4.969 -8.416 3.180 1.00 0.00 C ATOM 694 CH2 TRP A 47 4.253 -8.836 4.297 1.00 0.00 C ATOM 0 H TRP A 47 10.003 -12.473 3.779 1.00 0.00 H new ATOM 0 HA TRP A 47 8.796 -11.109 1.447 1.00 0.00 H new ATOM 0 HB2 TRP A 47 10.232 -9.741 3.720 1.00 0.00 H new ATOM 0 HB3 TRP A 47 9.138 -9.046 2.540 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.054 -11.378 5.620 1.00 0.00 H new ATOM 0 HE1 TRP A 47 6.727 -11.195 6.742 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.831 -8.429 2.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.265 -9.937 6.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.481 -7.800 2.439 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.221 -8.536 4.404 1.00 0.00 H new ATOM 705 N ASN A 48 11.060 -11.671 0.502 1.00 0.00 N ATOM 706 CA ASN A 48 12.269 -11.590 -0.301 1.00 0.00 C ATOM 707 C ASN A 48 11.941 -10.939 -1.637 1.00 0.00 C ATOM 708 O ASN A 48 10.767 -10.753 -1.968 1.00 0.00 O ATOM 709 CB ASN A 48 12.874 -12.987 -0.491 1.00 0.00 C ATOM 710 CG ASN A 48 11.843 -14.026 -0.878 1.00 0.00 C ATOM 711 OD1 ASN A 48 11.173 -14.599 -0.016 1.00 0.00 O ATOM 712 ND2 ASN A 48 11.733 -14.312 -2.162 1.00 0.00 N ATOM 0 H ASN A 48 10.335 -12.265 0.100 1.00 0.00 H new ATOM 0 HA ASN A 48 13.012 -10.977 0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.645 -12.942 -1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.364 -13.294 0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.076 -15.029 -2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.305 -13.816 -2.846 1.00 0.00 H new ATOM 719 N ASN A 49 12.967 -10.583 -2.399 1.00 0.00 N ATOM 720 CA ASN A 49 12.770 -9.854 -3.653 1.00 0.00 C ATOM 721 C ASN A 49 12.347 -10.799 -4.777 1.00 0.00 C ATOM 722 O ASN A 49 12.974 -10.875 -5.836 1.00 0.00 O ATOM 723 CB ASN A 49 14.033 -9.067 -4.040 1.00 0.00 C ATOM 724 CG ASN A 49 15.242 -9.945 -4.318 1.00 0.00 C ATOM 725 OD1 ASN A 49 15.419 -11.003 -3.715 1.00 0.00 O ATOM 726 ND2 ASN A 49 16.085 -9.508 -5.238 1.00 0.00 N ATOM 0 H ASN A 49 13.942 -10.784 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 49 11.964 -9.137 -3.498 1.00 0.00 H new ATOM 0 HB2 ASN A 49 13.819 -8.468 -4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.277 -8.372 -3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.916 -10.053 -5.469 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.905 -8.626 -5.717 1.00 0.00 H new ATOM 733 N ASN A 50 11.245 -11.492 -4.540 1.00 0.00 N ATOM 734 CA ASN A 50 10.718 -12.480 -5.473 1.00 0.00 C ATOM 735 C ASN A 50 9.767 -11.815 -6.470 1.00 0.00 C ATOM 736 O ASN A 50 9.058 -12.480 -7.227 1.00 0.00 O ATOM 737 CB ASN A 50 10.001 -13.580 -4.674 1.00 0.00 C ATOM 738 CG ASN A 50 9.550 -14.760 -5.520 1.00 0.00 C ATOM 739 OD1 ASN A 50 10.123 -15.048 -6.572 1.00 0.00 O ATOM 740 ND2 ASN A 50 8.540 -15.471 -5.043 1.00 0.00 N ATOM 0 H ASN A 50 10.687 -11.386 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 50 11.533 -12.925 -6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.668 -13.941 -3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.132 -13.148 -4.178 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.209 -16.291 -5.551 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.093 -15.198 -4.168 1.00 0.00 H new ATOM 747 N GLY A 51 9.773 -10.487 -6.484 1.00 0.00 N ATOM 748 CA GLY A 51 8.866 -9.751 -7.342 1.00 0.00 C ATOM 749 C GLY A 51 7.465 -9.766 -6.777 1.00 0.00 C ATOM 750 O GLY A 51 6.477 -9.771 -7.511 1.00 0.00 O ATOM 0 H GLY A 51 10.391 -9.907 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.210 -8.722 -7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.866 -10.189 -8.340 1.00 0.00 H new ATOM 754 N ASN A 52 7.390 -9.768 -5.458 1.00 0.00 N ATOM 755 CA ASN A 52 6.124 -9.875 -4.748 1.00 0.00 C ATOM 756 C ASN A 52 5.580 -8.490 -4.413 1.00 0.00 C ATOM 757 O ASN A 52 4.944 -8.280 -3.379 1.00 0.00 O ATOM 758 CB ASN A 52 6.299 -10.736 -3.482 1.00 0.00 C ATOM 759 CG ASN A 52 7.314 -10.172 -2.493 1.00 0.00 C ATOM 760 OD1 ASN A 52 8.100 -9.280 -2.823 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.349 -10.731 -1.295 1.00 0.00 N ATOM 0 H ASN A 52 8.204 -9.696 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 52 5.395 -10.367 -5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.335 -10.834 -2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.609 -11.739 -3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.041 -10.427 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.684 -11.466 -1.056 1.00 0.00 H new ATOM 768 N ILE A 53 5.833 -7.550 -5.317 1.00 0.00 N ATOM 769 CA ILE A 53 5.372 -6.180 -5.161 1.00 0.00 C ATOM 770 C ILE A 53 4.502 -5.764 -6.336 1.00 0.00 C ATOM 771 O ILE A 53 4.780 -6.100 -7.487 1.00 0.00 O ATOM 772 CB ILE A 53 6.559 -5.185 -4.993 1.00 0.00 C ATOM 773 CG1 ILE A 53 6.092 -3.716 -5.039 1.00 0.00 C ATOM 774 CG2 ILE A 53 7.623 -5.432 -6.048 1.00 0.00 C ATOM 775 CD1 ILE A 53 6.140 -3.077 -6.417 1.00 0.00 C ATOM 0 H ILE A 53 6.361 -7.717 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 53 4.775 -6.145 -4.250 1.00 0.00 H new ATOM 0 HB ILE A 53 6.990 -5.364 -4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.070 -3.662 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.712 -3.130 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.442 -4.726 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.002 -6.450 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.190 -5.298 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.794 -2.045 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.164 -3.093 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.496 -3.633 -7.099 1.00 0.00 H new ATOM 787 N ILE A 54 3.439 -5.047 -6.027 1.00 0.00 N ATOM 788 CA ILE A 54 2.627 -4.419 -7.048 1.00 0.00 C ATOM 789 C ILE A 54 2.711 -2.904 -6.868 1.00 0.00 C ATOM 790 O ILE A 54 2.527 -2.388 -5.761 1.00 0.00 O ATOM 791 CB ILE A 54 1.149 -4.912 -7.015 1.00 0.00 C ATOM 792 CG1 ILE A 54 0.533 -4.823 -8.408 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.295 -4.139 -6.024 1.00 0.00 C ATOM 794 CD1 ILE A 54 1.137 -5.804 -9.385 1.00 0.00 C ATOM 0 H ILE A 54 3.118 -4.885 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 54 3.013 -4.699 -8.028 1.00 0.00 H new ATOM 0 HB ILE A 54 1.169 -5.950 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.540 -5.003 -8.337 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.661 -3.811 -8.792 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.724 -4.525 -6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.707 -4.254 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.288 -3.083 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.657 -5.692 -10.357 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.205 -5.609 -9.483 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.985 -6.820 -9.021 1.00 0.00 H new ATOM 806 N ALA A 55 3.064 -2.187 -7.917 1.00 0.00 N ATOM 807 CA ALA A 55 3.157 -0.744 -7.808 1.00 0.00 C ATOM 808 C ALA A 55 1.813 -0.118 -8.142 1.00 0.00 C ATOM 809 O ALA A 55 1.231 -0.398 -9.190 1.00 0.00 O ATOM 810 CB ALA A 55 4.259 -0.176 -8.688 1.00 0.00 C ATOM 0 H ALA A 55 3.287 -2.569 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 55 3.420 -0.497 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.293 0.908 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.217 -0.602 -8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.058 -0.426 -9.730 1.00 0.00 H new ATOM 816 N ALA A 56 1.322 0.709 -7.241 1.00 0.00 N ATOM 817 CA ALA A 56 -0.008 1.284 -7.366 1.00 0.00 C ATOM 818 C ALA A 56 -0.021 2.489 -8.294 1.00 0.00 C ATOM 819 O ALA A 56 1.029 3.012 -8.671 1.00 0.00 O ATOM 820 CB ALA A 56 -0.514 1.683 -5.997 1.00 0.00 C ATOM 0 H ALA A 56 1.828 1.002 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.662 0.528 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.511 2.114 -6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.557 0.804 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.161 2.419 -5.560 1.00 0.00 H new ATOM 826 N SER A 57 -1.218 2.931 -8.649 1.00 0.00 N ATOM 827 CA SER A 57 -1.382 4.111 -9.468 1.00 0.00 C ATOM 828 C SER A 57 -2.357 5.054 -8.781 1.00 0.00 C ATOM 829 O SER A 57 -3.413 4.635 -8.294 1.00 0.00 O ATOM 830 CB SER A 57 -1.889 3.736 -10.862 1.00 0.00 C ATOM 831 OG SER A 57 -1.763 4.825 -11.765 1.00 0.00 O ATOM 0 H SER A 57 -2.093 2.483 -8.378 1.00 0.00 H new ATOM 0 HA SER A 57 -0.418 4.606 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.327 2.881 -11.238 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.933 3.429 -10.802 1.00 0.00 H new ATOM 0 HG SER A 57 -2.093 4.557 -12.648 1.00 0.00 H new ATOM 837 N PHE A 58 -1.991 6.313 -8.710 1.00 0.00 N ATOM 838 CA PHE A 58 -2.803 7.294 -8.043 1.00 0.00 C ATOM 839 C PHE A 58 -3.977 7.712 -8.916 1.00 0.00 C ATOM 840 O PHE A 58 -3.879 7.760 -10.144 1.00 0.00 O ATOM 841 CB PHE A 58 -1.967 8.511 -7.644 1.00 0.00 C ATOM 842 CG PHE A 58 -1.678 9.433 -8.780 1.00 0.00 C ATOM 843 CD1 PHE A 58 -0.576 9.249 -9.596 1.00 0.00 C ATOM 844 CD2 PHE A 58 -2.531 10.482 -9.035 1.00 0.00 C ATOM 845 CE1 PHE A 58 -0.336 10.107 -10.650 1.00 0.00 C ATOM 846 CE2 PHE A 58 -2.304 11.333 -10.078 1.00 0.00 C ATOM 847 CZ PHE A 58 -1.204 11.153 -10.893 1.00 0.00 C ATOM 0 H PHE A 58 -1.128 6.680 -9.111 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.200 6.840 -7.135 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.492 9.062 -6.864 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.025 8.170 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.101 8.429 -9.407 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.392 10.634 -8.401 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.527 9.961 -11.282 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.986 12.149 -10.266 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.023 11.827 -11.717 1.00 0.00 H new ATOM 857 N SER A 59 -5.088 7.994 -8.266 1.00 0.00 N ATOM 858 CA SER A 59 -6.244 8.548 -8.933 1.00 0.00 C ATOM 859 C SER A 59 -6.179 10.060 -8.857 1.00 0.00 C ATOM 860 O SER A 59 -6.610 10.759 -9.775 1.00 0.00 O ATOM 861 CB SER A 59 -7.536 8.029 -8.303 1.00 0.00 C ATOM 862 OG SER A 59 -7.764 6.675 -8.650 1.00 0.00 O ATOM 0 H SER A 59 -5.213 7.846 -7.265 1.00 0.00 H new ATOM 0 HA SER A 59 -6.241 8.237 -9.978 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.480 8.125 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.376 8.639 -8.634 1.00 0.00 H new ATOM 0 HG SER A 59 -8.595 6.366 -8.233 1.00 0.00 H new ATOM 868 N GLY A 60 -5.629 10.562 -7.758 1.00 0.00 N ATOM 869 CA GLY A 60 -5.370 11.979 -7.653 1.00 0.00 C ATOM 870 C GLY A 60 -5.189 12.427 -6.225 1.00 0.00 C ATOM 871 O GLY A 60 -5.431 11.650 -5.302 1.00 0.00 O ATOM 0 H GLY A 60 -5.360 10.013 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.475 12.225 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.196 12.531 -8.102 1.00 0.00 H new ATOM 875 N PRO A 61 -4.728 13.666 -6.010 1.00 0.00 N ATOM 876 CA PRO A 61 -4.681 14.266 -4.683 1.00 0.00 C ATOM 877 C PRO A 61 -6.092 14.531 -4.177 1.00 0.00 C ATOM 878 O PRO A 61 -6.932 15.067 -4.907 1.00 0.00 O ATOM 879 CB PRO A 61 -3.919 15.584 -4.890 1.00 0.00 C ATOM 880 CG PRO A 61 -3.302 15.475 -6.244 1.00 0.00 C ATOM 881 CD PRO A 61 -4.206 14.576 -7.037 1.00 0.00 C ATOM 0 HA PRO A 61 -4.201 13.624 -3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.591 16.440 -4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.159 15.723 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.215 16.455 -6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.296 15.061 -6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.003 15.133 -7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.664 14.040 -7.816 1.00 0.00 H new ATOM 889 N ILE A 62 -6.349 14.159 -2.938 1.00 0.00 N ATOM 890 CA ILE A 62 -7.695 14.208 -2.389 1.00 0.00 C ATOM 891 C ILE A 62 -8.134 15.650 -2.165 1.00 0.00 C ATOM 892 O ILE A 62 -7.481 16.407 -1.446 1.00 0.00 O ATOM 893 CB ILE A 62 -7.788 13.408 -1.074 1.00 0.00 C ATOM 894 CG1 ILE A 62 -7.227 12.004 -1.274 1.00 0.00 C ATOM 895 CG2 ILE A 62 -9.231 13.321 -0.610 1.00 0.00 C ATOM 896 CD1 ILE A 62 -7.245 11.157 -0.030 1.00 0.00 C ATOM 0 H ILE A 62 -5.641 13.818 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.367 13.749 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.202 13.923 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.801 11.501 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.201 12.081 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.281 12.753 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.621 14.325 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.829 12.822 -1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.830 10.174 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.646 11.636 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.271 11.047 0.320 1.00 0.00 H new ATOM 908 N SER A 63 -9.240 16.014 -2.798 1.00 0.00 N ATOM 909 CA SER A 63 -9.738 17.381 -2.780 1.00 0.00 C ATOM 910 C SER A 63 -9.999 17.874 -1.358 1.00 0.00 C ATOM 911 O SER A 63 -10.675 17.209 -0.569 1.00 0.00 O ATOM 912 CB SER A 63 -11.011 17.478 -3.625 1.00 0.00 C ATOM 913 OG SER A 63 -11.877 16.382 -3.378 1.00 0.00 O ATOM 0 H SER A 63 -9.817 15.370 -3.338 1.00 0.00 H new ATOM 0 HA SER A 63 -8.969 18.025 -3.207 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.528 18.411 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.747 17.505 -4.682 1.00 0.00 H new ATOM 0 HG SER A 63 -12.682 16.471 -3.929 1.00 0.00 H new ATOM 919 N GLY A 64 -9.434 19.037 -1.035 1.00 0.00 N ATOM 920 CA GLY A 64 -9.613 19.623 0.284 1.00 0.00 C ATOM 921 C GLY A 64 -8.872 18.857 1.360 1.00 0.00 C ATOM 922 O GLY A 64 -9.133 19.025 2.552 1.00 0.00 O ATOM 0 H GLY A 64 -8.852 19.586 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.264 20.655 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.675 19.649 0.526 1.00 0.00 H new ATOM 926 N SER A 65 -7.948 18.009 0.939 1.00 0.00 N ATOM 927 CA SER A 65 -7.195 17.182 1.860 1.00 0.00 C ATOM 928 C SER A 65 -5.702 17.282 1.575 1.00 0.00 C ATOM 929 O SER A 65 -5.289 17.773 0.523 1.00 0.00 O ATOM 930 CB SER A 65 -7.649 15.732 1.735 1.00 0.00 C ATOM 931 OG SER A 65 -9.050 15.620 1.937 1.00 0.00 O ATOM 0 H SER A 65 -7.702 17.877 -0.042 1.00 0.00 H new ATOM 0 HA SER A 65 -7.377 17.535 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.388 15.349 0.748 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.122 15.118 2.465 1.00 0.00 H new ATOM 0 HG SER A 65 -9.319 14.682 1.850 1.00 0.00 H new ATOM 937 N ASN A 66 -4.907 16.797 2.514 1.00 0.00 N ATOM 938 CA ASN A 66 -3.453 16.827 2.387 1.00 0.00 C ATOM 939 C ASN A 66 -2.948 15.448 1.996 1.00 0.00 C ATOM 940 O ASN A 66 -1.768 15.127 2.153 1.00 0.00 O ATOM 941 CB ASN A 66 -2.803 17.262 3.705 1.00 0.00 C ATOM 942 CG ASN A 66 -3.322 18.596 4.205 1.00 0.00 C ATOM 943 OD1 ASN A 66 -4.311 18.651 4.936 1.00 0.00 O ATOM 944 ND2 ASN A 66 -2.659 19.674 3.823 1.00 0.00 N ATOM 0 H ASN A 66 -5.243 16.374 3.379 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.185 17.548 1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.984 16.500 4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.723 17.326 3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.962 20.597 4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.844 19.583 3.216 1.00 0.00 H new ATOM 951 N TYR A 67 -3.864 14.630 1.498 1.00 0.00 N ATOM 952 CA TYR A 67 -3.550 13.258 1.147 1.00 0.00 C ATOM 953 C TYR A 67 -3.806 12.993 -0.321 1.00 0.00 C ATOM 954 O TYR A 67 -4.406 13.800 -1.031 1.00 0.00 O ATOM 955 CB TYR A 67 -4.353 12.273 2.005 1.00 0.00 C ATOM 956 CG TYR A 67 -3.737 11.988 3.359 1.00 0.00 C ATOM 957 CD1 TYR A 67 -3.392 13.019 4.210 1.00 0.00 C ATOM 958 CD2 TYR A 67 -3.511 10.685 3.786 1.00 0.00 C ATOM 959 CE1 TYR A 67 -2.840 12.772 5.449 1.00 0.00 C ATOM 960 CE2 TYR A 67 -2.957 10.424 5.024 1.00 0.00 C ATOM 961 CZ TYR A 67 -2.622 11.471 5.853 1.00 0.00 C ATOM 962 OH TYR A 67 -2.073 11.219 7.089 1.00 0.00 O ATOM 0 H TYR A 67 -4.834 14.897 1.328 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.488 13.108 1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.358 12.670 2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.457 11.335 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.558 14.040 3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.773 9.862 3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.579 13.593 6.100 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.788 9.405 5.340 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.523 10.409 7.044 1.00 0.00 H new ATOM 972 N GLU A 68 -3.337 11.846 -0.745 1.00 0.00 N ATOM 973 CA GLU A 68 -3.450 11.395 -2.114 1.00 0.00 C ATOM 974 C GLU A 68 -4.292 10.119 -2.142 1.00 0.00 C ATOM 975 O GLU A 68 -4.563 9.535 -1.088 1.00 0.00 O ATOM 976 CB GLU A 68 -2.037 11.190 -2.683 1.00 0.00 C ATOM 977 CG GLU A 68 -1.980 10.790 -4.144 1.00 0.00 C ATOM 978 CD GLU A 68 -0.658 11.155 -4.781 1.00 0.00 C ATOM 979 OE1 GLU A 68 0.397 10.665 -4.317 1.00 0.00 O ATOM 980 OE2 GLU A 68 -0.672 11.932 -5.753 1.00 0.00 O ATOM 0 H GLU A 68 -2.855 11.184 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.952 12.132 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.473 12.114 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.533 10.424 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.140 9.715 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.790 11.278 -4.685 1.00 0.00 H new ATOM 987 N TYR A 69 -4.665 9.658 -3.327 1.00 0.00 N ATOM 988 CA TYR A 69 -5.744 8.699 -3.456 1.00 0.00 C ATOM 989 C TYR A 69 -5.348 7.664 -4.470 1.00 0.00 C ATOM 990 O TYR A 69 -5.246 7.958 -5.662 1.00 0.00 O ATOM 991 CB TYR A 69 -7.034 9.402 -3.890 1.00 0.00 C ATOM 992 CG TYR A 69 -8.288 8.716 -3.409 1.00 0.00 C ATOM 993 CD1 TYR A 69 -8.365 8.247 -2.112 1.00 0.00 C ATOM 994 CD2 TYR A 69 -9.394 8.560 -4.235 1.00 0.00 C ATOM 995 CE1 TYR A 69 -9.508 7.637 -1.639 1.00 0.00 C ATOM 996 CE2 TYR A 69 -10.544 7.945 -3.774 1.00 0.00 C ATOM 997 CZ TYR A 69 -10.595 7.487 -2.472 1.00 0.00 C ATOM 998 OH TYR A 69 -11.738 6.890 -1.995 1.00 0.00 O ATOM 0 H TYR A 69 -4.235 9.934 -4.210 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.928 8.221 -2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.024 10.426 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.057 9.461 -4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.514 8.360 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.355 8.924 -5.251 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.551 7.279 -0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.396 7.824 -4.427 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.413 6.861 -2.705 1.00 0.00 H new ATOM 1008 N TRP A 70 -5.107 6.464 -3.999 1.00 0.00 N ATOM 1009 CA TRP A 70 -4.495 5.451 -4.809 1.00 0.00 C ATOM 1010 C TRP A 70 -5.469 4.337 -5.113 1.00 0.00 C ATOM 1011 O TRP A 70 -6.331 4.031 -4.301 1.00 0.00 O ATOM 1012 CB TRP A 70 -3.297 4.905 -4.058 1.00 0.00 C ATOM 1013 CG TRP A 70 -2.366 5.978 -3.586 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.574 6.907 -2.631 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -1.062 6.200 -4.053 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.458 7.687 -2.504 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.515 7.262 -3.356 1.00 0.00 C ATOM 1018 CE3 TRP A 70 -0.335 5.586 -4.990 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 0.773 7.717 -3.580 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 0.950 5.998 -5.243 1.00 0.00 C ATOM 1021 CH2 TRP A 70 1.499 7.067 -4.524 1.00 0.00 C ATOM 0 H TRP A 70 -5.330 6.168 -3.049 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.184 5.884 -5.760 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.644 4.329 -3.200 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.752 4.217 -4.704 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.481 7.018 -2.056 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.359 8.472 -1.860 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.758 4.765 -5.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.181 8.551 -3.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.538 5.497 -5.998 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.514 7.378 -4.724 1.00 0.00 H new ATOM 1032 N THR A 71 -5.323 3.742 -6.280 1.00 0.00 N ATOM 1033 CA THR A 71 -6.149 2.622 -6.692 1.00 0.00 C ATOM 1034 C THR A 71 -5.295 1.626 -7.450 1.00 0.00 C ATOM 1035 O THR A 71 -4.386 2.029 -8.184 1.00 0.00 O ATOM 1036 CB THR A 71 -7.305 3.095 -7.593 1.00 0.00 C ATOM 1037 OG1 THR A 71 -6.820 4.075 -8.525 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.439 3.677 -6.766 1.00 0.00 C ATOM 0 H THR A 71 -4.627 4.021 -6.972 1.00 0.00 H new ATOM 0 HA THR A 71 -6.573 2.155 -5.803 1.00 0.00 H new ATOM 0 HB THR A 71 -7.693 2.235 -8.138 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.297 4.920 -8.389 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.242 4.003 -7.428 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.818 2.917 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.072 4.529 -6.194 1.00 0.00 H new ATOM 1046 N PHE A 72 -5.541 0.339 -7.276 1.00 0.00 N ATOM 1047 CA PHE A 72 -4.748 -0.632 -7.996 1.00 0.00 C ATOM 1048 C PHE A 72 -5.478 -1.948 -8.214 1.00 0.00 C ATOM 1049 O PHE A 72 -6.542 -2.203 -7.645 1.00 0.00 O ATOM 1050 CB PHE A 72 -3.412 -0.897 -7.284 1.00 0.00 C ATOM 1051 CG PHE A 72 -3.548 -1.647 -5.987 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -3.988 -1.003 -4.849 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -3.231 -2.993 -5.910 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -4.115 -1.682 -3.653 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -3.356 -3.679 -4.719 1.00 0.00 C ATOM 1056 CZ PHE A 72 -3.799 -3.022 -3.589 1.00 0.00 C ATOM 0 H PHE A 72 -6.260 -0.046 -6.663 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.557 -0.193 -8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.762 -1.462 -7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.920 0.056 -7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.237 0.047 -4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.882 -3.511 -6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.461 -1.164 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.107 -4.729 -4.671 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.898 -3.557 -2.656 1.00 0.00 H new ATOM 1066 N SER A 73 -4.875 -2.770 -9.049 1.00 0.00 N ATOM 1067 CA SER A 73 -5.330 -4.120 -9.290 1.00 0.00 C ATOM 1068 C SER A 73 -4.126 -5.022 -9.503 1.00 0.00 C ATOM 1069 O SER A 73 -3.173 -4.656 -10.191 1.00 0.00 O ATOM 1070 CB SER A 73 -6.259 -4.182 -10.498 1.00 0.00 C ATOM 1071 OG SER A 73 -5.702 -3.499 -11.614 1.00 0.00 O ATOM 0 H SER A 73 -4.046 -2.514 -9.585 1.00 0.00 H new ATOM 0 HA SER A 73 -5.895 -4.460 -8.422 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.446 -5.223 -10.762 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.222 -3.740 -10.242 1.00 0.00 H new ATOM 0 HG SER A 73 -6.318 -3.557 -12.374 1.00 0.00 H new ATOM 1077 N ALA A 74 -4.171 -6.191 -8.909 1.00 0.00 N ATOM 1078 CA ALA A 74 -3.038 -7.094 -8.916 1.00 0.00 C ATOM 1079 C ALA A 74 -3.461 -8.511 -9.249 1.00 0.00 C ATOM 1080 O ALA A 74 -4.290 -9.106 -8.555 1.00 0.00 O ATOM 1081 CB ALA A 74 -2.341 -7.072 -7.566 1.00 0.00 C ATOM 0 H ALA A 74 -4.987 -6.544 -8.409 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.348 -6.754 -9.688 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.491 -7.755 -7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.991 -6.062 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.040 -7.384 -6.790 1.00 0.00 H new ATOM 1087 N SER A 75 -2.904 -9.047 -10.313 1.00 0.00 N ATOM 1088 CA SER A 75 -3.110 -10.440 -10.640 1.00 0.00 C ATOM 1089 C SER A 75 -2.208 -11.284 -9.741 1.00 0.00 C ATOM 1090 O SER A 75 -1.011 -11.428 -9.997 1.00 0.00 O ATOM 1091 CB SER A 75 -2.789 -10.674 -12.124 1.00 0.00 C ATOM 1092 OG SER A 75 -3.329 -11.898 -12.600 1.00 0.00 O ATOM 0 H SER A 75 -2.306 -8.540 -10.965 1.00 0.00 H new ATOM 0 HA SER A 75 -4.149 -10.725 -10.473 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.186 -9.849 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.708 -10.676 -12.265 1.00 0.00 H new ATOM 0 HG SER A 75 -3.104 -12.008 -13.547 1.00 0.00 H new ATOM 1098 N VAL A 76 -2.783 -11.832 -8.677 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.003 -12.590 -7.710 1.00 0.00 C ATOM 1100 C VAL A 76 -2.526 -14.013 -7.626 1.00 0.00 C ATOM 1101 O VAL A 76 -3.703 -14.259 -7.885 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.038 -11.953 -6.291 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -1.742 -10.470 -6.335 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -3.371 -12.188 -5.615 1.00 0.00 C ATOM 0 H VAL A 76 -3.778 -11.766 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.970 -12.582 -8.057 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.257 -12.442 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.776 -10.062 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.750 -10.309 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.486 -9.969 -6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.363 -11.731 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.166 -11.744 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.546 -13.259 -5.518 1.00 0.00 H new ATOM 1114 N LYS A 77 -1.654 -14.949 -7.289 1.00 0.00 N ATOM 1115 CA LYS A 77 -2.080 -16.321 -7.064 1.00 0.00 C ATOM 1116 C LYS A 77 -1.320 -16.926 -5.894 1.00 0.00 C ATOM 1117 O LYS A 77 -1.061 -18.129 -5.849 1.00 0.00 O ATOM 1118 CB LYS A 77 -1.916 -17.180 -8.329 1.00 0.00 C ATOM 1119 CG LYS A 77 -0.478 -17.450 -8.751 1.00 0.00 C ATOM 1120 CD LYS A 77 0.127 -16.298 -9.529 1.00 0.00 C ATOM 1121 CE LYS A 77 1.438 -16.710 -10.179 1.00 0.00 C ATOM 1122 NZ LYS A 77 1.263 -17.881 -11.083 1.00 0.00 N ATOM 0 H LYS A 77 -0.655 -14.786 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.142 -16.306 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.415 -18.135 -8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.432 -16.687 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.127 -17.643 -7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.446 -18.353 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.573 -15.964 -10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.297 -15.453 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.842 -15.871 -10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.166 -16.953 -9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.852 -17.756 -11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.551 -18.749 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.264 -17.957 -11.363 1.00 0.00 H new ATOM 1136 N GLY A 78 -0.968 -16.078 -4.945 1.00 0.00 N ATOM 1137 CA GLY A 78 -0.222 -16.522 -3.790 1.00 0.00 C ATOM 1138 C GLY A 78 0.129 -15.372 -2.875 1.00 0.00 C ATOM 1139 O GLY A 78 1.118 -14.674 -3.095 1.00 0.00 O ATOM 0 H GLY A 78 -1.187 -15.082 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.807 -17.259 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.691 -17.019 -4.116 1.00 0.00 H new ATOM 1143 N ILE A 79 -0.695 -15.164 -1.861 1.00 0.00 N ATOM 1144 CA ILE A 79 -0.468 -14.107 -0.890 1.00 0.00 C ATOM 1145 C ILE A 79 -1.071 -14.486 0.451 1.00 0.00 C ATOM 1146 O ILE A 79 -2.131 -15.105 0.524 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.047 -12.750 -1.357 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -0.918 -11.682 -0.267 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -2.500 -12.892 -1.776 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.433 -10.321 -0.686 1.00 0.00 C ATOM 0 H ILE A 79 -1.534 -15.718 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 79 0.611 -13.991 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.464 -12.430 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.463 -12.011 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.130 -11.592 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.882 -11.924 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.574 -13.604 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.089 -13.250 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.309 -9.616 0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.872 -9.970 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.489 -10.395 -0.944 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.365 -14.131 1.498 1.00 0.00 N ATOM 1163 CA LYS A 80 -0.797 -14.410 2.858 1.00 0.00 C ATOM 1164 C LYS A 80 -1.071 -13.109 3.592 1.00 0.00 C ATOM 1165 O LYS A 80 -2.161 -12.880 4.116 1.00 0.00 O ATOM 1166 CB LYS A 80 0.291 -15.181 3.607 1.00 0.00 C ATOM 1167 CG LYS A 80 0.642 -16.529 3.007 1.00 0.00 C ATOM 1168 CD LYS A 80 -0.531 -17.491 3.059 1.00 0.00 C ATOM 1169 CE LYS A 80 -0.050 -18.918 3.242 1.00 0.00 C ATOM 1170 NZ LYS A 80 0.603 -19.108 4.568 1.00 0.00 N ATOM 0 H LYS A 80 0.527 -13.640 1.437 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.707 -15.008 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.192 -14.569 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.033 -15.331 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.957 -16.395 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.488 -16.957 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.195 -17.218 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.112 -17.413 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.893 -19.602 3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.654 -19.170 2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.844 -20.112 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.470 -18.535 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.049 -18.810 5.322 1.00 0.00 H new ATOM 1184 N GLU A 81 -0.064 -12.252 3.582 1.00 0.00 N ATOM 1185 CA GLU A 81 -0.076 -11.004 4.337 1.00 0.00 C ATOM 1186 C GLU A 81 0.438 -9.913 3.423 1.00 0.00 C ATOM 1187 O GLU A 81 0.830 -10.212 2.298 1.00 0.00 O ATOM 1188 CB GLU A 81 0.849 -11.088 5.561 1.00 0.00 C ATOM 1189 CG GLU A 81 0.851 -12.433 6.275 1.00 0.00 C ATOM 1190 CD GLU A 81 -0.438 -12.725 7.005 1.00 0.00 C ATOM 1191 OE1 GLU A 81 -0.950 -11.818 7.691 1.00 0.00 O ATOM 1192 OE2 GLU A 81 -0.919 -13.880 6.929 1.00 0.00 O ATOM 0 H GLU A 81 0.792 -12.401 3.047 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.089 -10.802 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.867 -10.860 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.556 -10.316 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.034 -13.223 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.677 -12.457 6.986 1.00 0.00 H new ATOM 1199 N PHE A 82 0.456 -8.668 3.877 1.00 0.00 N ATOM 1200 CA PHE A 82 1.111 -7.623 3.105 1.00 0.00 C ATOM 1201 C PHE A 82 1.264 -6.346 3.907 1.00 0.00 C ATOM 1202 O PHE A 82 0.593 -6.145 4.925 1.00 0.00 O ATOM 1203 CB PHE A 82 0.376 -7.338 1.785 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.947 -6.642 1.910 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -0.999 -5.268 2.044 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -2.131 -7.356 1.859 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.209 -4.611 2.132 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -3.345 -6.707 1.949 1.00 0.00 C ATOM 1209 CZ PHE A 82 -3.383 -5.332 2.085 1.00 0.00 C ATOM 0 H PHE A 82 0.036 -8.362 4.754 1.00 0.00 H new ATOM 0 HA PHE A 82 2.106 -7.996 2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.025 -6.732 1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.220 -8.284 1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.081 -4.701 2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.105 -8.430 1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.236 -3.536 2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.264 -7.272 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.333 -4.822 2.154 1.00 0.00 H new ATOM 1219 N TYR A 83 2.177 -5.512 3.448 1.00 0.00 N ATOM 1220 CA TYR A 83 2.306 -4.153 3.925 1.00 0.00 C ATOM 1221 C TYR A 83 2.781 -3.280 2.770 1.00 0.00 C ATOM 1222 O TYR A 83 3.536 -3.733 1.908 1.00 0.00 O ATOM 1223 CB TYR A 83 3.229 -4.042 5.159 1.00 0.00 C ATOM 1224 CG TYR A 83 4.559 -4.784 5.107 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.389 -4.729 3.999 1.00 0.00 C ATOM 1226 CD2 TYR A 83 5.001 -5.503 6.212 1.00 0.00 C ATOM 1227 CE1 TYR A 83 6.616 -5.368 3.989 1.00 0.00 C ATOM 1228 CE2 TYR A 83 6.221 -6.151 6.208 1.00 0.00 C ATOM 1229 CZ TYR A 83 7.027 -6.079 5.096 1.00 0.00 C ATOM 1230 OH TYR A 83 8.249 -6.715 5.091 1.00 0.00 O ATOM 0 H TYR A 83 2.854 -5.763 2.728 1.00 0.00 H new ATOM 0 HA TYR A 83 1.333 -3.803 4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.439 -2.986 5.329 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.676 -4.401 6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.072 -4.177 3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 83 4.377 -5.556 7.092 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.250 -5.310 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.540 -6.712 7.074 1.00 0.00 H new ATOM 0 HH TYR A 83 8.136 -7.637 4.779 1.00 0.00 H new ATOM 1240 N ILE A 84 2.306 -2.055 2.708 1.00 0.00 N ATOM 1241 CA ILE A 84 2.588 -1.223 1.555 1.00 0.00 C ATOM 1242 C ILE A 84 3.847 -0.405 1.779 1.00 0.00 C ATOM 1243 O ILE A 84 4.038 0.172 2.848 1.00 0.00 O ATOM 1244 CB ILE A 84 1.422 -0.271 1.222 1.00 0.00 C ATOM 1245 CG1 ILE A 84 0.073 -0.998 1.305 1.00 0.00 C ATOM 1246 CG2 ILE A 84 1.620 0.310 -0.165 1.00 0.00 C ATOM 1247 CD1 ILE A 84 -0.012 -2.245 0.453 1.00 0.00 C ATOM 0 H ILE A 84 1.732 -1.617 3.428 1.00 0.00 H new ATOM 0 HA ILE A 84 2.729 -1.899 0.711 1.00 0.00 H new ATOM 0 HB ILE A 84 1.413 0.535 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.119 -1.267 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.717 -0.310 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.795 0.983 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.559 0.863 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.649 -0.497 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.996 -2.698 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.146 -1.982 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.753 -2.954 0.769 1.00 0.00 H new ATOM 1259 N LYS A 85 4.713 -0.361 0.777 1.00 0.00 N ATOM 1260 CA LYS A 85 5.903 0.434 0.863 1.00 0.00 C ATOM 1261 C LYS A 85 5.621 1.829 0.380 1.00 0.00 C ATOM 1262 O LYS A 85 5.309 2.057 -0.792 1.00 0.00 O ATOM 1263 CB LYS A 85 7.031 -0.166 0.047 1.00 0.00 C ATOM 1264 CG LYS A 85 7.567 -1.458 0.607 1.00 0.00 C ATOM 1265 CD LYS A 85 9.066 -1.510 0.460 1.00 0.00 C ATOM 1266 CE LYS A 85 9.513 -1.952 -0.930 1.00 0.00 C ATOM 1267 NZ LYS A 85 9.297 -0.910 -1.975 1.00 0.00 N ATOM 0 H LYS A 85 4.603 -0.871 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 85 6.214 0.459 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.679 -0.340 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.845 0.557 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.295 -1.547 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.114 -2.303 0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.481 -0.525 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.475 -2.195 1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.571 -2.212 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.971 -2.855 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.712 -1.229 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.277 -0.751 -2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.752 -0.023 -1.680 1.00 0.00 H new ATOM 1281 N TYR A 86 5.727 2.748 1.300 1.00 0.00 N ATOM 1282 CA TYR A 86 5.534 4.147 1.019 1.00 0.00 C ATOM 1283 C TYR A 86 6.871 4.708 0.537 1.00 0.00 C ATOM 1284 O TYR A 86 7.752 5.006 1.344 1.00 0.00 O ATOM 1285 CB TYR A 86 5.040 4.815 2.310 1.00 0.00 C ATOM 1286 CG TYR A 86 4.731 6.281 2.193 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.182 6.805 1.044 1.00 0.00 C ATOM 1288 CD2 TYR A 86 4.991 7.142 3.244 1.00 0.00 C ATOM 1289 CE1 TYR A 86 3.903 8.146 0.939 1.00 0.00 C ATOM 1290 CE2 TYR A 86 4.714 8.488 3.149 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.172 8.985 1.994 1.00 0.00 C ATOM 1292 OH TYR A 86 3.905 10.324 1.888 1.00 0.00 O ATOM 0 H TYR A 86 5.952 2.547 2.274 1.00 0.00 H new ATOM 0 HA TYR A 86 4.792 4.330 0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.143 4.297 2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.797 4.680 3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.967 6.151 0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.419 6.752 4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.473 8.540 0.030 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.923 9.146 3.979 1.00 0.00 H new ATOM 0 HH TYR A 86 3.246 10.471 1.178 1.00 0.00 H new ATOM 1302 N GLU A 87 7.021 4.854 -0.781 1.00 0.00 N ATOM 1303 CA GLU A 87 8.348 5.007 -1.372 1.00 0.00 C ATOM 1304 C GLU A 87 8.487 6.281 -2.213 1.00 0.00 C ATOM 1305 O GLU A 87 8.026 6.367 -3.354 1.00 0.00 O ATOM 1306 CB GLU A 87 8.622 3.790 -2.242 1.00 0.00 C ATOM 1307 CG GLU A 87 10.064 3.677 -2.669 1.00 0.00 C ATOM 1308 CD GLU A 87 10.373 2.371 -3.378 1.00 0.00 C ATOM 1309 OE1 GLU A 87 10.570 1.344 -2.690 1.00 0.00 O ATOM 1310 OE2 GLU A 87 10.419 2.366 -4.626 1.00 0.00 O ATOM 0 H GLU A 87 6.251 4.869 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 87 9.071 5.091 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.340 2.890 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.990 3.836 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.308 4.509 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.705 3.768 -1.792 1.00 0.00 H new ATOM 1317 N VAL A 88 9.154 7.261 -1.674 1.00 0.00 N ATOM 1318 CA VAL A 88 9.334 8.509 -2.373 1.00 0.00 C ATOM 1319 C VAL A 88 10.795 8.630 -2.775 1.00 0.00 C ATOM 1320 O VAL A 88 11.638 7.886 -2.272 1.00 0.00 O ATOM 1321 CB VAL A 88 8.918 9.718 -1.506 1.00 0.00 C ATOM 1322 CG1 VAL A 88 8.088 10.698 -2.296 1.00 0.00 C ATOM 1323 CG2 VAL A 88 8.171 9.281 -0.248 1.00 0.00 C ATOM 0 H VAL A 88 9.585 7.223 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 88 8.694 8.513 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 88 9.836 10.217 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.811 11.537 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.666 11.063 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.186 10.203 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.895 10.160 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.270 8.736 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.813 8.635 0.351 1.00 0.00 H new ATOM 1333 N SER A 89 11.095 9.541 -3.687 1.00 0.00 N ATOM 1334 CA SER A 89 12.453 9.705 -4.193 1.00 0.00 C ATOM 1335 C SER A 89 13.329 10.449 -3.192 1.00 0.00 C ATOM 1336 O SER A 89 14.147 11.298 -3.549 1.00 0.00 O ATOM 1337 CB SER A 89 12.434 10.415 -5.536 1.00 0.00 C ATOM 1338 OG SER A 89 11.673 9.676 -6.480 1.00 0.00 O ATOM 0 H SER A 89 10.415 10.182 -4.095 1.00 0.00 H new ATOM 0 HA SER A 89 12.886 8.715 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.011 11.413 -5.420 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.453 10.542 -5.901 1.00 0.00 H new ATOM 0 HG SER A 89 11.670 10.148 -7.339 1.00 0.00 H new ATOM 1344 N GLY A 90 13.133 10.105 -1.936 1.00 0.00 N ATOM 1345 CA GLY A 90 13.928 10.633 -0.863 1.00 0.00 C ATOM 1346 C GLY A 90 13.456 10.122 0.481 1.00 0.00 C ATOM 1347 O GLY A 90 14.252 9.905 1.393 1.00 0.00 O ATOM 0 H GLY A 90 12.413 9.448 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.972 10.357 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.881 11.722 -0.876 1.00 0.00 H new ATOM 1351 N LYS A 91 12.151 9.926 0.597 1.00 0.00 N ATOM 1352 CA LYS A 91 11.549 9.436 1.818 1.00 0.00 C ATOM 1353 C LYS A 91 11.009 8.022 1.641 1.00 0.00 C ATOM 1354 O LYS A 91 10.629 7.628 0.544 1.00 0.00 O ATOM 1355 CB LYS A 91 10.429 10.387 2.225 1.00 0.00 C ATOM 1356 CG LYS A 91 10.759 11.167 3.479 1.00 0.00 C ATOM 1357 CD LYS A 91 11.957 12.076 3.254 1.00 0.00 C ATOM 1358 CE LYS A 91 12.417 12.748 4.537 1.00 0.00 C ATOM 1359 NZ LYS A 91 13.618 13.593 4.310 1.00 0.00 N ATOM 0 H LYS A 91 11.484 10.103 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 91 12.308 9.397 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.233 11.083 1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.513 9.818 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.897 11.763 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.969 10.477 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.779 11.494 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.699 12.838 2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.610 13.362 4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.642 11.989 5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.905 14.036 5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.395 13.002 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.396 14.332 3.613 1.00 0.00 H new ATOM 1373 N THR A 92 11.013 7.240 2.710 1.00 0.00 N ATOM 1374 CA THR A 92 10.408 5.917 2.680 1.00 0.00 C ATOM 1375 C THR A 92 9.861 5.537 4.049 1.00 0.00 C ATOM 1376 O THR A 92 10.489 5.780 5.080 1.00 0.00 O ATOM 1377 CB THR A 92 11.399 4.831 2.228 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.134 5.276 1.078 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.675 3.531 1.887 1.00 0.00 C ATOM 0 H THR A 92 11.427 7.497 3.606 1.00 0.00 H new ATOM 0 HA THR A 92 9.596 5.971 1.955 1.00 0.00 H new ATOM 0 HB THR A 92 12.085 4.645 3.054 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.762 4.577 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.401 2.782 1.571 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.141 3.170 2.766 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.965 3.711 1.080 1.00 0.00 H new ATOM 1387 N TYR A 93 8.690 4.938 4.033 1.00 0.00 N ATOM 1388 CA TYR A 93 8.036 4.436 5.236 1.00 0.00 C ATOM 1389 C TYR A 93 7.261 3.185 4.851 1.00 0.00 C ATOM 1390 O TYR A 93 7.435 2.660 3.749 1.00 0.00 O ATOM 1391 CB TYR A 93 7.061 5.459 5.844 1.00 0.00 C ATOM 1392 CG TYR A 93 7.594 6.866 5.971 1.00 0.00 C ATOM 1393 CD1 TYR A 93 7.449 7.750 4.927 1.00 0.00 C ATOM 1394 CD2 TYR A 93 8.216 7.308 7.128 1.00 0.00 C ATOM 1395 CE1 TYR A 93 7.903 9.050 5.013 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.680 8.607 7.231 1.00 0.00 C ATOM 1397 CZ TYR A 93 8.520 9.475 6.171 1.00 0.00 C ATOM 1398 OH TYR A 93 8.972 10.772 6.273 1.00 0.00 O ATOM 0 H TYR A 93 8.155 4.781 3.179 1.00 0.00 H new ATOM 0 HA TYR A 93 8.800 4.231 5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.159 5.484 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.765 5.110 6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.968 7.418 4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.340 6.630 7.959 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.777 9.728 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.165 8.940 8.137 1.00 0.00 H new ATOM 0 HH TYR A 93 9.381 10.908 7.153 1.00 0.00 H new ATOM 1408 N TYR A 94 6.385 2.734 5.731 1.00 0.00 N ATOM 1409 CA TYR A 94 5.625 1.513 5.497 1.00 0.00 C ATOM 1410 C TYR A 94 4.214 1.637 6.054 1.00 0.00 C ATOM 1411 O TYR A 94 4.013 2.207 7.127 1.00 0.00 O ATOM 1412 CB TYR A 94 6.298 0.304 6.158 1.00 0.00 C ATOM 1413 CG TYR A 94 7.702 0.010 5.677 1.00 0.00 C ATOM 1414 CD1 TYR A 94 7.942 -0.393 4.369 1.00 0.00 C ATOM 1415 CD2 TYR A 94 8.786 0.115 6.541 1.00 0.00 C ATOM 1416 CE1 TYR A 94 9.220 -0.681 3.936 1.00 0.00 C ATOM 1417 CE2 TYR A 94 10.067 -0.168 6.112 1.00 0.00 C ATOM 1418 CZ TYR A 94 10.278 -0.566 4.809 1.00 0.00 C ATOM 1419 OH TYR A 94 11.555 -0.855 4.379 1.00 0.00 O ATOM 0 H TYR A 94 6.180 3.195 6.618 1.00 0.00 H new ATOM 0 HA TYR A 94 5.587 1.365 4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.326 0.467 7.235 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.679 -0.577 5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.115 -0.482 3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.623 0.423 7.563 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.389 -0.995 2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.900 -0.078 6.794 1.00 0.00 H new ATOM 0 HH TYR A 94 12.186 -0.723 5.117 1.00 0.00 H new ATOM 1429 N ASP A 95 3.247 1.109 5.319 1.00 0.00 N ATOM 1430 CA ASP A 95 1.900 0.931 5.843 1.00 0.00 C ATOM 1431 C ASP A 95 1.765 -0.495 6.351 1.00 0.00 C ATOM 1432 O ASP A 95 1.471 -1.418 5.592 1.00 0.00 O ATOM 1433 CB ASP A 95 0.836 1.215 4.779 1.00 0.00 C ATOM 1434 CG ASP A 95 -0.572 0.913 5.268 1.00 0.00 C ATOM 1435 OD1 ASP A 95 -0.827 1.034 6.487 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -1.427 0.556 4.435 1.00 0.00 O ATOM 0 H ASP A 95 3.370 0.796 4.356 1.00 0.00 H new ATOM 0 HA ASP A 95 1.741 1.641 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.896 2.261 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.045 0.617 3.892 1.00 0.00 H new ATOM 1441 N ASN A 96 2.030 -0.671 7.633 1.00 0.00 N ATOM 1442 CA ASN A 96 2.048 -1.994 8.238 1.00 0.00 C ATOM 1443 C ASN A 96 1.191 -2.006 9.493 1.00 0.00 C ATOM 1444 O ASN A 96 1.303 -2.916 10.326 1.00 0.00 O ATOM 1445 CB ASN A 96 3.494 -2.379 8.580 1.00 0.00 C ATOM 1446 CG ASN A 96 3.649 -3.832 9.001 1.00 0.00 C ATOM 1447 OD1 ASN A 96 4.468 -4.155 9.858 1.00 0.00 O ATOM 1448 ND2 ASN A 96 2.876 -4.716 8.390 1.00 0.00 N ATOM 0 H ASN A 96 2.237 0.090 8.280 1.00 0.00 H new ATOM 0 HA ASN A 96 1.641 -2.719 7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.127 -2.190 7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.853 -1.736 9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.948 -5.706 8.626 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.208 -4.407 7.684 1.00 0.00 H new ATOM 1455 N ASN A 97 0.309 -1.008 9.602 1.00 0.00 N ATOM 1456 CA ASN A 97 -0.465 -0.765 10.815 1.00 0.00 C ATOM 1457 C ASN A 97 0.460 -0.345 11.959 1.00 0.00 C ATOM 1458 O ASN A 97 0.451 0.801 12.405 1.00 0.00 O ATOM 1459 CB ASN A 97 -1.243 -2.023 11.190 1.00 0.00 C ATOM 1460 CG ASN A 97 -2.576 -1.717 11.808 1.00 0.00 C ATOM 1461 OD1 ASN A 97 -2.737 -0.743 12.543 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -3.545 -2.547 11.495 1.00 0.00 N ATOM 0 H ASN A 97 0.114 -0.348 8.849 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.171 0.045 10.632 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.392 -2.632 10.299 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.652 -2.617 11.887 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.483 -2.398 11.866 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.359 -3.340 10.881 1.00 0.00 H new ATOM 1469 N ASN A 98 1.271 -1.290 12.395 1.00 0.00 N ATOM 1470 CA ASN A 98 2.283 -1.068 13.414 1.00 0.00 C ATOM 1471 C ASN A 98 3.322 -2.169 13.279 1.00 0.00 C ATOM 1472 O ASN A 98 4.510 -1.913 13.094 1.00 0.00 O ATOM 1473 CB ASN A 98 1.661 -1.084 14.815 1.00 0.00 C ATOM 1474 CG ASN A 98 2.674 -0.807 15.907 1.00 0.00 C ATOM 1475 OD1 ASN A 98 3.289 -1.726 16.447 1.00 0.00 O ATOM 1476 ND2 ASN A 98 2.849 0.461 16.243 1.00 0.00 N ATOM 0 H ASN A 98 1.246 -2.248 12.047 1.00 0.00 H new ATOM 0 HA ASN A 98 2.744 -0.090 13.277 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.867 -0.339 14.864 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.198 -2.055 14.992 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.515 0.707 16.975 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.318 1.192 15.769 1.00 0.00 H new ATOM 1483 N SER A 99 2.835 -3.397 13.355 1.00 0.00 N ATOM 1484 CA SER A 99 3.621 -4.585 13.062 1.00 0.00 C ATOM 1485 C SER A 99 2.653 -5.758 12.959 1.00 0.00 C ATOM 1486 O SER A 99 2.930 -6.870 13.405 1.00 0.00 O ATOM 1487 CB SER A 99 4.672 -4.831 14.153 1.00 0.00 C ATOM 1488 OG SER A 99 5.692 -5.705 13.696 1.00 0.00 O ATOM 0 H SER A 99 1.872 -3.599 13.625 1.00 0.00 H new ATOM 0 HA SER A 99 4.165 -4.460 12.126 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.113 -3.882 14.458 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.192 -5.257 15.034 1.00 0.00 H new ATOM 0 HG SER A 99 5.290 -6.542 13.384 1.00 0.00 H new ATOM 1494 N ALA A 100 1.499 -5.479 12.361 1.00 0.00 N ATOM 1495 CA ALA A 100 0.376 -6.406 12.372 1.00 0.00 C ATOM 1496 C ALA A 100 0.278 -7.202 11.078 1.00 0.00 C ATOM 1497 O ALA A 100 -0.062 -8.386 11.104 1.00 0.00 O ATOM 1498 CB ALA A 100 -0.915 -5.640 12.609 1.00 0.00 C ATOM 0 H ALA A 100 1.318 -4.610 11.859 1.00 0.00 H new ATOM 0 HA ALA A 100 0.540 -7.118 13.181 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.754 -6.335 12.617 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.862 -5.125 13.568 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.056 -4.910 11.812 1.00 0.00 H new ATOM 1504 N ASN A 101 0.568 -6.539 9.953 1.00 0.00 N ATOM 1505 CA ASN A 101 0.407 -7.137 8.620 1.00 0.00 C ATOM 1506 C ASN A 101 -1.058 -7.248 8.263 1.00 0.00 C ATOM 1507 O ASN A 101 -1.907 -7.500 9.116 1.00 0.00 O ATOM 1508 CB ASN A 101 1.086 -8.511 8.519 1.00 0.00 C ATOM 1509 CG ASN A 101 2.596 -8.412 8.553 1.00 0.00 C ATOM 1510 OD1 ASN A 101 3.174 -7.436 8.082 1.00 0.00 O ATOM 1511 ND2 ASN A 101 3.246 -9.409 9.126 1.00 0.00 N ATOM 0 H ASN A 101 0.918 -5.581 9.938 1.00 0.00 H new ATOM 0 HA ASN A 101 0.899 -6.476 7.907 1.00 0.00 H new ATOM 0 HB2 ASN A 101 0.747 -9.142 9.341 1.00 0.00 H new ATOM 0 HB3 ASN A 101 0.777 -8.999 7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.264 -9.385 9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.730 -10.203 9.506 1.00 0.00 H new ATOM 1518 N TYR A 102 -1.358 -7.011 7.004 1.00 0.00 N ATOM 1519 CA TYR A 102 -2.711 -7.154 6.517 1.00 0.00 C ATOM 1520 C TYR A 102 -2.880 -8.537 5.913 1.00 0.00 C ATOM 1521 O TYR A 102 -2.436 -8.798 4.794 1.00 0.00 O ATOM 1522 CB TYR A 102 -3.032 -6.058 5.499 1.00 0.00 C ATOM 1523 CG TYR A 102 -2.860 -4.658 6.052 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -3.844 -4.077 6.841 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -1.707 -3.925 5.799 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -3.686 -2.804 7.357 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -1.539 -2.654 6.314 1.00 0.00 C ATOM 1528 CZ TYR A 102 -2.533 -2.097 7.093 1.00 0.00 C ATOM 1529 OH TYR A 102 -2.371 -0.837 7.621 1.00 0.00 O ATOM 0 H TYR A 102 -0.681 -6.718 6.299 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.412 -7.045 7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.387 -6.179 4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.059 -6.181 5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.748 -4.629 7.055 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.928 -4.357 5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.463 -2.365 7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.635 -2.100 6.108 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.615 -0.394 7.183 1.00 0.00 H new ATOM 1539 N GLN A 103 -3.479 -9.431 6.689 1.00 0.00 N ATOM 1540 CA GLN A 103 -3.716 -10.797 6.249 1.00 0.00 C ATOM 1541 C GLN A 103 -4.890 -10.848 5.286 1.00 0.00 C ATOM 1542 O GLN A 103 -5.950 -10.269 5.541 1.00 0.00 O ATOM 1543 CB GLN A 103 -3.962 -11.740 7.437 1.00 0.00 C ATOM 1544 CG GLN A 103 -4.717 -11.101 8.584 1.00 0.00 C ATOM 1545 CD GLN A 103 -3.808 -10.514 9.660 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -4.206 -10.382 10.817 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -2.570 -10.197 9.304 1.00 0.00 N ATOM 0 H GLN A 103 -3.811 -9.231 7.632 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.818 -11.137 5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.519 -12.610 7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.002 -12.103 7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.358 -10.312 8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.370 -11.846 9.038 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.271 -10.318 8.336 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.917 -9.832 9.998 1.00 0.00 H new ATOM 1556 N VAL A 104 -4.687 -11.530 4.179 1.00 0.00 N ATOM 1557 CA VAL A 104 -5.700 -11.641 3.142 1.00 0.00 C ATOM 1558 C VAL A 104 -6.652 -12.788 3.464 1.00 0.00 C ATOM 1559 O VAL A 104 -6.268 -13.750 4.133 1.00 0.00 O ATOM 1560 CB VAL A 104 -5.055 -11.890 1.763 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -6.063 -11.678 0.646 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.840 -10.998 1.571 1.00 0.00 C ATOM 0 H VAL A 104 -3.819 -12.023 3.969 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.251 -10.701 3.108 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.725 -12.928 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.584 -11.860 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.897 -12.369 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.433 -10.653 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.399 -11.189 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.142 -9.953 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.105 -11.212 2.347 1.00 0.00 H new ATOM 1572 N SER A 105 -7.889 -12.687 2.997 1.00 0.00 N ATOM 1573 CA SER A 105 -8.866 -13.737 3.223 1.00 0.00 C ATOM 1574 C SER A 105 -8.699 -14.827 2.168 1.00 0.00 C ATOM 1575 O SER A 105 -9.512 -14.959 1.254 1.00 0.00 O ATOM 1576 CB SER A 105 -10.292 -13.170 3.197 1.00 0.00 C ATOM 1577 OG SER A 105 -11.247 -14.148 3.585 1.00 0.00 O ATOM 0 H SER A 105 -8.236 -11.891 2.462 1.00 0.00 H new ATOM 0 HA SER A 105 -8.698 -14.169 4.210 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.356 -12.312 3.866 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.524 -12.811 2.194 1.00 0.00 H new ATOM 0 HG SER A 105 -12.145 -13.756 3.560 1.00 0.00 H new ATOM 1583 N THR A 106 -7.617 -15.577 2.289 1.00 0.00 N ATOM 1584 CA THR A 106 -7.355 -16.693 1.403 1.00 0.00 C ATOM 1585 C THR A 106 -7.873 -17.982 2.027 1.00 0.00 C ATOM 1586 O THR A 106 -7.170 -18.546 2.893 1.00 0.00 O ATOM 1587 CB THR A 106 -5.850 -16.822 1.113 1.00 0.00 C ATOM 1588 OG1 THR A 106 -5.123 -16.811 2.349 1.00 0.00 O ATOM 1589 CG2 THR A 106 -5.370 -15.688 0.221 1.00 0.00 C ATOM 1590 OXT THR A 106 -8.999 -18.405 1.687 1.00 0.00 O ATOM 0 H THR A 106 -6.901 -15.429 3.000 1.00 0.00 H new ATOM 0 HA THR A 106 -7.873 -16.512 0.461 1.00 0.00 H new ATOM 0 HB THR A 106 -5.675 -17.763 0.592 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.563 -17.405 2.993 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.303 -15.802 0.031 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.912 -15.714 -0.724 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.550 -14.734 0.716 1.00 0.00 H new TER 1598 THR A 106