USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot 153:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.12 K(o=-0.12,f=-6!) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 165:sc= 0.323 (180deg=0.228) USER MOD Set 2.2: A 73 MET CE :methyl -156:sc= -2.76! (180deg=-2.93!) USER MOD Set 2.3: A 76 GLN : amide:sc= -2.71 K(o=-5.2,f=-8.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 27:sc= 0.416 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 162:sc= 0 (180deg=-0.394) USER MOD Single : A 28 THR OG1 : rot 156:sc= -5.56! USER MOD Single : A 38 HIS : no HD1:sc= -4.95! C(o=-4.9!,f=-3.9!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot -24:sc= -1.06 USER MOD Single : A 61 GLN : amide:sc= -0.381 K(o=-0.38,f=-2.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0981 USER MOD Single : A 75 SER OG : rot -89:sc= 0.97 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.661 -5.319 -19.318 1.00 0.00 N ATOM 2 CA GLY A 1 -2.048 -5.453 -19.730 1.00 0.00 C ATOM 3 C GLY A 1 -2.827 -6.338 -18.755 1.00 0.00 C ATOM 4 O GLY A 1 -3.220 -7.451 -19.101 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.154 -4.714 -19.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.620 -4.889 -18.372 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.215 -6.258 -19.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.512 -4.468 -19.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.094 -5.881 -20.731 1.00 0.00 H new ATOM 8 N SER A 2 -3.026 -5.811 -17.556 1.00 0.00 N ATOM 9 CA SER A 2 -3.751 -6.540 -16.529 1.00 0.00 C ATOM 10 C SER A 2 -3.017 -7.840 -16.194 1.00 0.00 C ATOM 11 O SER A 2 -2.217 -8.329 -16.991 1.00 0.00 O ATOM 12 CB SER A 2 -5.184 -6.839 -16.973 1.00 0.00 C ATOM 13 OG SER A 2 -5.948 -5.649 -17.149 1.00 0.00 O ATOM 0 H SER A 2 -2.698 -4.888 -17.273 1.00 0.00 H new ATOM 0 HA SER A 2 -3.799 -5.916 -15.636 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.164 -7.399 -17.908 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.668 -7.474 -16.231 1.00 0.00 H new ATOM 0 HG SER A 2 -6.856 -5.882 -17.434 1.00 0.00 H new ATOM 19 N SER A 3 -3.315 -8.363 -15.014 1.00 0.00 N ATOM 20 CA SER A 3 -2.693 -9.596 -14.563 1.00 0.00 C ATOM 21 C SER A 3 -3.747 -10.518 -13.946 1.00 0.00 C ATOM 22 O SER A 3 -4.430 -10.138 -12.997 1.00 0.00 O ATOM 23 CB SER A 3 -1.579 -9.315 -13.554 1.00 0.00 C ATOM 24 OG SER A 3 -2.082 -8.755 -12.344 1.00 0.00 O ATOM 0 H SER A 3 -3.979 -7.955 -14.356 1.00 0.00 H new ATOM 0 HA SER A 3 -2.247 -10.089 -15.427 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.049 -10.241 -13.332 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.854 -8.631 -13.996 1.00 0.00 H new ATOM 0 HG SER A 3 -3.007 -9.048 -12.208 1.00 0.00 H new ATOM 30 N GLY A 4 -3.846 -11.713 -14.512 1.00 0.00 N ATOM 31 CA GLY A 4 -4.805 -12.692 -14.030 1.00 0.00 C ATOM 32 C GLY A 4 -6.167 -12.501 -14.700 1.00 0.00 C ATOM 33 O GLY A 4 -7.069 -11.896 -14.121 1.00 0.00 O ATOM 0 H GLY A 4 -3.278 -12.025 -15.300 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.435 -13.698 -14.230 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.911 -12.601 -12.949 1.00 0.00 H new ATOM 37 N SER A 5 -6.275 -13.028 -15.910 1.00 0.00 N ATOM 38 CA SER A 5 -7.512 -12.924 -16.665 1.00 0.00 C ATOM 39 C SER A 5 -8.588 -13.807 -16.031 1.00 0.00 C ATOM 40 O SER A 5 -8.497 -15.033 -16.077 1.00 0.00 O ATOM 41 CB SER A 5 -7.299 -13.316 -18.129 1.00 0.00 C ATOM 42 OG SER A 5 -7.263 -12.178 -18.986 1.00 0.00 O ATOM 0 H SER A 5 -5.525 -13.529 -16.387 1.00 0.00 H new ATOM 0 HA SER A 5 -7.841 -11.885 -16.639 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.366 -13.871 -18.224 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.100 -13.983 -18.446 1.00 0.00 H new ATOM 0 HG SER A 5 -7.124 -12.470 -19.911 1.00 0.00 H new ATOM 48 N SER A 6 -9.583 -13.150 -15.453 1.00 0.00 N ATOM 49 CA SER A 6 -10.676 -13.860 -14.810 1.00 0.00 C ATOM 50 C SER A 6 -10.150 -14.655 -13.614 1.00 0.00 C ATOM 51 O SER A 6 -9.179 -15.399 -13.737 1.00 0.00 O ATOM 52 CB SER A 6 -11.384 -14.790 -15.797 1.00 0.00 C ATOM 53 OG SER A 6 -12.643 -14.269 -16.212 1.00 0.00 O ATOM 0 H SER A 6 -9.655 -12.133 -15.417 1.00 0.00 H new ATOM 0 HA SER A 6 -11.402 -13.127 -14.459 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.749 -14.943 -16.670 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.530 -15.766 -15.334 1.00 0.00 H new ATOM 0 HG SER A 6 -13.062 -14.891 -16.843 1.00 0.00 H new ATOM 59 N GLY A 7 -10.816 -14.471 -12.483 1.00 0.00 N ATOM 60 CA GLY A 7 -10.429 -15.163 -11.265 1.00 0.00 C ATOM 61 C GLY A 7 -9.920 -14.176 -10.213 1.00 0.00 C ATOM 62 O GLY A 7 -8.960 -13.446 -10.454 1.00 0.00 O ATOM 0 H GLY A 7 -11.621 -13.853 -12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.282 -15.715 -10.869 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.652 -15.894 -11.489 1.00 0.00 H new ATOM 66 N VAL A 8 -10.587 -14.185 -9.068 1.00 0.00 N ATOM 67 CA VAL A 8 -10.214 -13.300 -7.977 1.00 0.00 C ATOM 68 C VAL A 8 -8.720 -13.458 -7.686 1.00 0.00 C ATOM 69 O VAL A 8 -8.128 -14.488 -8.003 1.00 0.00 O ATOM 70 CB VAL A 8 -11.094 -13.575 -6.756 1.00 0.00 C ATOM 71 CG1 VAL A 8 -12.571 -13.350 -7.083 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.860 -14.988 -6.219 1.00 0.00 C ATOM 0 H VAL A 8 -11.384 -14.791 -8.872 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.383 -12.259 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.813 -12.869 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.174 -13.552 -6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.721 -12.317 -7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.872 -14.020 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.498 -15.158 -5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.100 -15.716 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.815 -15.098 -5.929 1.00 0.00 H new ATOM 82 N PRO A 9 -8.139 -12.394 -7.069 1.00 0.00 N ATOM 83 CA PRO A 9 -6.726 -12.405 -6.731 1.00 0.00 C ATOM 84 C PRO A 9 -6.460 -13.298 -5.518 1.00 0.00 C ATOM 85 O PRO A 9 -7.377 -13.926 -4.991 1.00 0.00 O ATOM 86 CB PRO A 9 -6.369 -10.948 -6.486 1.00 0.00 C ATOM 87 CG PRO A 9 -7.687 -10.231 -6.241 1.00 0.00 C ATOM 88 CD PRO A 9 -8.810 -11.157 -6.679 1.00 0.00 C ATOM 0 HA PRO A 9 -6.107 -12.825 -7.524 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.705 -10.848 -5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.847 -10.524 -7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.792 -9.976 -5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.723 -9.296 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.520 -11.329 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.372 -10.732 -7.511 1.00 0.00 H new ATOM 96 N GLU A 10 -5.200 -13.325 -5.109 1.00 0.00 N ATOM 97 CA GLU A 10 -4.801 -14.131 -3.967 1.00 0.00 C ATOM 98 C GLU A 10 -4.334 -13.232 -2.821 1.00 0.00 C ATOM 99 O GLU A 10 -4.430 -12.009 -2.907 1.00 0.00 O ATOM 100 CB GLU A 10 -3.712 -15.133 -4.357 1.00 0.00 C ATOM 101 CG GLU A 10 -2.411 -14.415 -4.722 1.00 0.00 C ATOM 102 CD GLU A 10 -1.435 -15.367 -5.416 1.00 0.00 C ATOM 103 OE1 GLU A 10 -1.311 -16.509 -4.924 1.00 0.00 O ATOM 104 OE2 GLU A 10 -0.836 -14.932 -6.423 1.00 0.00 O ATOM 0 H GLU A 10 -4.442 -12.802 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.667 -14.699 -3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.533 -15.820 -3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.050 -15.732 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.629 -13.571 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.950 -14.009 -3.821 1.00 0.00 H new ATOM 111 N LYS A 11 -3.837 -13.873 -1.773 1.00 0.00 N ATOM 112 CA LYS A 11 -3.355 -13.147 -0.611 1.00 0.00 C ATOM 113 C LYS A 11 -1.832 -13.271 -0.533 1.00 0.00 C ATOM 114 O LYS A 11 -1.239 -14.109 -1.209 1.00 0.00 O ATOM 115 CB LYS A 11 -4.076 -13.619 0.654 1.00 0.00 C ATOM 116 CG LYS A 11 -5.555 -13.229 0.620 1.00 0.00 C ATOM 117 CD LYS A 11 -6.268 -13.672 1.899 1.00 0.00 C ATOM 118 CE LYS A 11 -7.163 -12.556 2.442 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.271 -13.124 3.242 1.00 0.00 N ATOM 0 H LYS A 11 -3.758 -14.888 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.585 -12.086 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.984 -14.701 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.601 -13.182 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.648 -12.149 0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.035 -13.686 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.869 -14.559 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.531 -13.951 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.574 -11.876 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.566 -11.970 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.869 -12.354 3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.843 -13.755 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.881 -13.663 4.041 1.00 0.00 H new ATOM 133 N PHE A 12 -1.243 -12.423 0.298 1.00 0.00 N ATOM 134 CA PHE A 12 0.199 -12.428 0.473 1.00 0.00 C ATOM 135 C PHE A 12 0.582 -11.969 1.882 1.00 0.00 C ATOM 136 O PHE A 12 0.094 -10.946 2.360 1.00 0.00 O ATOM 137 CB PHE A 12 0.776 -11.442 -0.545 1.00 0.00 C ATOM 138 CG PHE A 12 0.299 -11.679 -1.979 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.889 -12.638 -2.743 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.715 -10.930 -2.491 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.446 -12.857 -4.074 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.157 -11.150 -3.822 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.568 -12.109 -4.586 1.00 0.00 C ATOM 0 H PHE A 12 -1.738 -11.728 0.857 1.00 0.00 H new ATOM 0 HA PHE A 12 0.588 -13.436 0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.508 -10.429 -0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.864 -11.504 -0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.694 -13.232 -2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.183 -10.168 -1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.915 -13.618 -4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.962 -10.555 -4.228 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.905 -12.276 -5.598 1.00 0.00 H new ATOM 153 N LYS A 13 1.452 -12.749 2.507 1.00 0.00 N ATOM 154 CA LYS A 13 1.906 -12.436 3.851 1.00 0.00 C ATOM 155 C LYS A 13 2.598 -11.071 3.847 1.00 0.00 C ATOM 156 O LYS A 13 2.817 -10.486 2.787 1.00 0.00 O ATOM 157 CB LYS A 13 2.780 -13.566 4.399 1.00 0.00 C ATOM 158 CG LYS A 13 1.923 -14.672 5.018 1.00 0.00 C ATOM 159 CD LYS A 13 2.777 -15.621 5.861 1.00 0.00 C ATOM 160 CE LYS A 13 2.016 -16.085 7.105 1.00 0.00 C ATOM 161 NZ LYS A 13 2.656 -15.558 8.331 1.00 0.00 N ATOM 0 H LYS A 13 1.854 -13.597 2.107 1.00 0.00 H new ATOM 0 HA LYS A 13 1.057 -12.362 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.390 -13.980 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.465 -13.170 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.145 -14.229 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.421 -15.232 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.065 -16.486 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.698 -15.119 6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.981 -15.746 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.993 -17.174 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.127 -15.882 9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.636 -15.902 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.656 -14.518 8.303 1.00 0.00 H new ATOM 175 N LEU A 14 2.922 -10.604 5.044 1.00 0.00 N ATOM 176 CA LEU A 14 3.584 -9.319 5.191 1.00 0.00 C ATOM 177 C LEU A 14 4.944 -9.524 5.861 1.00 0.00 C ATOM 178 O LEU A 14 5.128 -10.473 6.622 1.00 0.00 O ATOM 179 CB LEU A 14 2.678 -8.330 5.928 1.00 0.00 C ATOM 180 CG LEU A 14 1.567 -7.689 5.094 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.219 -8.358 5.369 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.514 -6.177 5.324 1.00 0.00 C ATOM 0 H LEU A 14 2.738 -11.092 5.921 1.00 0.00 H new ATOM 0 HA LEU A 14 3.773 -8.875 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.220 -8.846 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.300 -7.536 6.340 1.00 0.00 H new ATOM 0 HG LEU A 14 1.795 -7.848 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.553 -7.883 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.280 -9.416 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.031 -8.252 6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.716 -5.745 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.321 -5.976 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.467 -5.732 5.038 1.00 0.00 H new ATOM 194 N SER A 15 5.862 -8.619 5.555 1.00 0.00 N ATOM 195 CA SER A 15 7.199 -8.690 6.118 1.00 0.00 C ATOM 196 C SER A 15 7.201 -8.112 7.535 1.00 0.00 C ATOM 197 O SER A 15 6.192 -7.578 7.993 1.00 0.00 O ATOM 198 CB SER A 15 8.207 -7.945 5.240 1.00 0.00 C ATOM 199 OG SER A 15 8.548 -8.687 4.072 1.00 0.00 O ATOM 0 H SER A 15 5.706 -7.833 4.924 1.00 0.00 H new ATOM 0 HA SER A 15 7.498 -9.737 6.159 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.791 -6.981 4.948 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.109 -7.741 5.817 1.00 0.00 H new ATOM 0 HG SER A 15 8.817 -8.070 3.360 1.00 0.00 H new ATOM 205 N THR A 16 8.346 -8.238 8.190 1.00 0.00 N ATOM 206 CA THR A 16 8.493 -7.735 9.545 1.00 0.00 C ATOM 207 C THR A 16 8.264 -6.223 9.580 1.00 0.00 C ATOM 208 O THR A 16 7.771 -5.689 10.573 1.00 0.00 O ATOM 209 CB THR A 16 9.872 -8.153 10.058 1.00 0.00 C ATOM 210 OG1 THR A 16 9.767 -9.564 10.227 1.00 0.00 O ATOM 211 CG2 THR A 16 10.157 -7.629 11.467 1.00 0.00 C ATOM 0 H THR A 16 9.181 -8.681 7.807 1.00 0.00 H new ATOM 0 HA THR A 16 7.741 -8.161 10.209 1.00 0.00 H new ATOM 0 HB THR A 16 10.639 -7.789 9.374 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.619 -9.918 10.556 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.148 -7.954 11.783 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.116 -6.540 11.465 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.410 -8.019 12.158 1.00 0.00 H new ATOM 219 N ALA A 17 8.634 -5.575 8.485 1.00 0.00 N ATOM 220 CA ALA A 17 8.475 -4.135 8.378 1.00 0.00 C ATOM 221 C ALA A 17 7.069 -3.818 7.864 1.00 0.00 C ATOM 222 O ALA A 17 6.397 -2.932 8.389 1.00 0.00 O ATOM 223 CB ALA A 17 9.569 -3.566 7.473 1.00 0.00 C ATOM 0 H ALA A 17 9.043 -6.021 7.664 1.00 0.00 H new ATOM 0 HA ALA A 17 8.583 -3.664 9.355 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.449 -2.486 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.547 -3.792 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.491 -4.014 6.482 1.00 0.00 H new ATOM 229 N LEU A 18 6.667 -4.559 6.842 1.00 0.00 N ATOM 230 CA LEU A 18 5.353 -4.368 6.251 1.00 0.00 C ATOM 231 C LEU A 18 4.278 -4.708 7.285 1.00 0.00 C ATOM 232 O LEU A 18 3.133 -4.278 7.160 1.00 0.00 O ATOM 233 CB LEU A 18 5.230 -5.166 4.951 1.00 0.00 C ATOM 234 CG LEU A 18 4.532 -4.454 3.790 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.297 -3.194 3.380 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.319 -5.405 2.611 1.00 0.00 C ATOM 0 H LEU A 18 7.228 -5.292 6.408 1.00 0.00 H new ATOM 0 HA LEU A 18 5.209 -3.324 5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.231 -5.451 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.689 -6.088 5.164 1.00 0.00 H new ATOM 0 HG LEU A 18 3.546 -4.136 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.780 -2.707 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.352 -2.510 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.305 -3.466 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.821 -4.873 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.283 -5.776 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.700 -6.245 2.928 1.00 0.00 H new ATOM 248 N MET A 19 4.686 -5.478 8.283 1.00 0.00 N ATOM 249 CA MET A 19 3.772 -5.881 9.339 1.00 0.00 C ATOM 250 C MET A 19 3.534 -4.736 10.325 1.00 0.00 C ATOM 251 O MET A 19 2.427 -4.571 10.835 1.00 0.00 O ATOM 252 CB MET A 19 4.352 -7.085 10.084 1.00 0.00 C ATOM 253 CG MET A 19 3.821 -8.397 9.503 1.00 0.00 C ATOM 254 SD MET A 19 4.031 -9.717 10.686 1.00 0.00 S ATOM 255 CE MET A 19 5.449 -10.541 9.983 1.00 0.00 C ATOM 0 H MET A 19 5.637 -5.834 8.383 1.00 0.00 H new ATOM 0 HA MET A 19 2.818 -6.148 8.885 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.440 -7.068 10.019 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.095 -7.021 11.141 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.767 -8.291 9.247 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.350 -8.636 8.581 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.910 -11.178 10.737 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.133 -11.151 9.137 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.171 -9.798 9.645 1.00 0.00 H new ATOM 265 N ASP A 20 4.591 -3.974 10.564 1.00 0.00 N ATOM 266 CA ASP A 20 4.512 -2.849 11.480 1.00 0.00 C ATOM 267 C ASP A 20 4.153 -1.584 10.697 1.00 0.00 C ATOM 268 O ASP A 20 4.039 -0.504 11.274 1.00 0.00 O ATOM 269 CB ASP A 20 5.853 -2.609 12.176 1.00 0.00 C ATOM 270 CG ASP A 20 5.812 -2.692 13.703 1.00 0.00 C ATOM 271 OD1 ASP A 20 4.841 -2.152 14.275 1.00 0.00 O ATOM 272 OD2 ASP A 20 6.754 -3.293 14.264 1.00 0.00 O ATOM 0 H ASP A 20 5.508 -4.114 10.139 1.00 0.00 H new ATOM 0 HA ASP A 20 3.753 -3.077 12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.573 -3.339 11.807 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.223 -1.624 11.890 1.00 0.00 H new ATOM 277 N VAL A 21 3.984 -1.760 9.395 1.00 0.00 N ATOM 278 CA VAL A 21 3.640 -0.647 8.527 1.00 0.00 C ATOM 279 C VAL A 21 2.121 -0.468 8.511 1.00 0.00 C ATOM 280 O VAL A 21 1.620 0.637 8.712 1.00 0.00 O ATOM 281 CB VAL A 21 4.231 -0.868 7.133 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.558 0.040 6.102 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.747 -0.659 7.141 1.00 0.00 C ATOM 0 H VAL A 21 4.079 -2.658 8.920 1.00 0.00 H new ATOM 0 HA VAL A 21 4.072 0.279 8.905 1.00 0.00 H new ATOM 0 HB VAL A 21 4.037 -1.902 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.997 -0.137 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.491 -0.178 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.707 1.083 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.142 -0.822 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.972 0.359 7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.208 -1.365 7.832 1.00 0.00 H new ATOM 293 N LEU A 22 1.430 -1.573 8.269 1.00 0.00 N ATOM 294 CA LEU A 22 -0.022 -1.553 8.224 1.00 0.00 C ATOM 295 C LEU A 22 -0.577 -2.209 9.490 1.00 0.00 C ATOM 296 O LEU A 22 -1.419 -1.631 10.176 1.00 0.00 O ATOM 297 CB LEU A 22 -0.527 -2.192 6.929 1.00 0.00 C ATOM 298 CG LEU A 22 0.189 -1.764 5.647 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.020 -2.814 4.547 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.279 -0.379 5.193 1.00 0.00 C ATOM 0 H LEU A 22 1.849 -2.488 8.102 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.388 -0.526 8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.443 -3.275 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.587 -1.963 6.823 1.00 0.00 H new ATOM 0 HG LEU A 22 1.255 -1.690 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.539 -2.485 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.440 -3.762 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.040 -2.944 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.246 -0.099 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.352 -0.402 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.064 0.351 5.973 1.00 0.00 H new ATOM 312 N GLY A 23 -0.082 -3.407 9.763 1.00 0.00 N ATOM 313 CA GLY A 23 -0.517 -4.148 10.934 1.00 0.00 C ATOM 314 C GLY A 23 -1.237 -5.437 10.532 1.00 0.00 C ATOM 315 O GLY A 23 -2.059 -5.955 11.287 1.00 0.00 O ATOM 0 H GLY A 23 0.617 -3.883 9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.344 -4.388 11.557 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.182 -3.528 11.535 1.00 0.00 H new ATOM 319 N ILE A 24 -0.903 -5.917 9.343 1.00 0.00 N ATOM 320 CA ILE A 24 -1.508 -7.135 8.831 1.00 0.00 C ATOM 321 C ILE A 24 -0.426 -8.204 8.661 1.00 0.00 C ATOM 322 O ILE A 24 0.750 -7.882 8.501 1.00 0.00 O ATOM 323 CB ILE A 24 -2.294 -6.846 7.551 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.595 -5.778 6.708 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.742 -6.468 7.870 1.00 0.00 C ATOM 326 CD1 ILE A 24 -2.216 -5.687 5.313 1.00 0.00 C ATOM 0 H ILE A 24 -0.221 -5.485 8.720 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.235 -7.527 9.542 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.324 -7.758 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.668 -4.811 7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.534 -6.014 6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.278 -6.268 6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.225 -7.290 8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.756 -5.576 8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.701 -4.920 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.120 -6.648 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.271 -5.427 5.401 1.00 0.00 H new ATOM 338 N GLU A 25 -0.863 -9.454 8.700 1.00 0.00 N ATOM 339 CA GLU A 25 0.053 -10.572 8.552 1.00 0.00 C ATOM 340 C GLU A 25 -0.093 -11.198 7.164 1.00 0.00 C ATOM 341 O GLU A 25 0.852 -11.787 6.642 1.00 0.00 O ATOM 342 CB GLU A 25 -0.171 -11.614 9.649 1.00 0.00 C ATOM 343 CG GLU A 25 1.112 -12.398 9.933 1.00 0.00 C ATOM 344 CD GLU A 25 1.557 -12.214 11.385 1.00 0.00 C ATOM 345 OE1 GLU A 25 1.707 -11.041 11.789 1.00 0.00 O ATOM 346 OE2 GLU A 25 1.737 -13.252 12.059 1.00 0.00 O ATOM 0 H GLU A 25 -1.840 -9.717 8.832 1.00 0.00 H new ATOM 0 HA GLU A 25 1.071 -10.197 8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.509 -11.121 10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.961 -12.301 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.948 -13.456 9.731 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.903 -12.064 9.261 1.00 0.00 H new ATOM 353 N VAL A 26 -1.284 -11.048 6.604 1.00 0.00 N ATOM 354 CA VAL A 26 -1.566 -11.590 5.286 1.00 0.00 C ATOM 355 C VAL A 26 -2.791 -10.886 4.700 1.00 0.00 C ATOM 356 O VAL A 26 -3.908 -11.071 5.182 1.00 0.00 O ATOM 357 CB VAL A 26 -1.734 -13.109 5.371 1.00 0.00 C ATOM 358 CG1 VAL A 26 -1.584 -13.598 6.813 1.00 0.00 C ATOM 359 CG2 VAL A 26 -3.076 -13.546 4.780 1.00 0.00 C ATOM 0 H VAL A 26 -2.066 -10.558 7.040 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.731 -11.405 4.610 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.942 -13.567 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.708 -14.680 6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.594 -13.335 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.343 -13.127 7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.170 -14.629 4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.888 -13.073 5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.127 -13.247 3.733 1.00 0.00 H new ATOM 369 N GLU A 27 -2.541 -10.091 3.670 1.00 0.00 N ATOM 370 CA GLU A 27 -3.610 -9.358 3.013 1.00 0.00 C ATOM 371 C GLU A 27 -3.492 -9.495 1.494 1.00 0.00 C ATOM 372 O GLU A 27 -2.466 -9.944 0.985 1.00 0.00 O ATOM 373 CB GLU A 27 -3.603 -7.887 3.434 1.00 0.00 C ATOM 374 CG GLU A 27 -5.026 -7.380 3.677 1.00 0.00 C ATOM 375 CD GLU A 27 -5.760 -8.268 4.684 1.00 0.00 C ATOM 376 OE1 GLU A 27 -5.247 -8.384 5.817 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.818 -8.811 4.296 1.00 0.00 O ATOM 0 H GLU A 27 -1.613 -9.938 3.274 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.563 -9.786 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.011 -7.767 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.126 -7.286 2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.993 -6.355 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.575 -7.361 2.735 1.00 0.00 H new ATOM 384 N THR A 28 -4.557 -9.099 0.812 1.00 0.00 N ATOM 385 CA THR A 28 -4.585 -9.172 -0.639 1.00 0.00 C ATOM 386 C THR A 28 -3.510 -8.265 -1.240 1.00 0.00 C ATOM 387 O THR A 28 -2.666 -7.735 -0.519 1.00 0.00 O ATOM 388 CB THR A 28 -6.002 -8.825 -1.102 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.162 -7.458 -0.732 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.077 -9.557 -0.297 1.00 0.00 C ATOM 0 H THR A 28 -5.406 -8.727 1.237 1.00 0.00 H new ATOM 0 HA THR A 28 -4.350 -10.177 -0.989 1.00 0.00 H new ATOM 0 HB THR A 28 -6.109 -9.071 -2.158 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.844 -7.043 -1.300 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.063 -9.275 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.943 -10.633 -0.405 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.992 -9.285 0.755 1.00 0.00 H new ATOM 398 N ARG A 29 -3.576 -8.113 -2.554 1.00 0.00 N ATOM 399 CA ARG A 29 -2.619 -7.279 -3.261 1.00 0.00 C ATOM 400 C ARG A 29 -3.022 -5.807 -3.160 1.00 0.00 C ATOM 401 O ARG A 29 -2.181 -4.945 -2.906 1.00 0.00 O ATOM 402 CB ARG A 29 -2.525 -7.675 -4.736 1.00 0.00 C ATOM 403 CG ARG A 29 -1.103 -7.483 -5.266 1.00 0.00 C ATOM 404 CD ARG A 29 -1.090 -7.437 -6.795 1.00 0.00 C ATOM 405 NE ARG A 29 -1.174 -6.034 -7.260 1.00 0.00 N ATOM 406 CZ ARG A 29 -0.829 -5.629 -8.490 1.00 0.00 C ATOM 407 NH1 ARG A 29 -0.374 -6.516 -9.385 1.00 0.00 N ATOM 408 NH2 ARG A 29 -0.939 -4.336 -8.824 1.00 0.00 N ATOM 0 H ARG A 29 -4.278 -8.554 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.645 -7.426 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.824 -8.716 -4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.220 -7.074 -5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.684 -6.559 -4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.468 -8.298 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.179 -7.900 -7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.928 -8.011 -7.191 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.516 -5.332 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.290 -7.500 -9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.112 -6.207 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.285 -3.661 -8.142 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.677 -4.027 -9.760 1.00 0.00 H new ATOM 422 N PRO A 30 -4.342 -5.556 -3.369 1.00 0.00 N ATOM 423 CA PRO A 30 -4.867 -4.203 -3.304 1.00 0.00 C ATOM 424 C PRO A 30 -4.969 -3.724 -1.854 1.00 0.00 C ATOM 425 O PRO A 30 -4.493 -2.640 -1.520 1.00 0.00 O ATOM 426 CB PRO A 30 -6.214 -4.269 -4.005 1.00 0.00 C ATOM 427 CG PRO A 30 -6.601 -5.739 -4.024 1.00 0.00 C ATOM 428 CD PRO A 30 -5.366 -6.551 -3.671 1.00 0.00 C ATOM 0 HA PRO A 30 -4.217 -3.475 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.959 -3.675 -3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.148 -3.869 -5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.402 -5.932 -3.310 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.976 -6.022 -5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.551 -7.201 -2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.063 -7.192 -4.499 1.00 0.00 H new ATOM 436 N ARG A 31 -5.595 -4.555 -1.033 1.00 0.00 N ATOM 437 CA ARG A 31 -5.766 -4.229 0.373 1.00 0.00 C ATOM 438 C ARG A 31 -4.488 -3.602 0.932 1.00 0.00 C ATOM 439 O ARG A 31 -4.545 -2.611 1.659 1.00 0.00 O ATOM 440 CB ARG A 31 -6.113 -5.476 1.188 1.00 0.00 C ATOM 441 CG ARG A 31 -7.538 -5.948 0.890 1.00 0.00 C ATOM 442 CD ARG A 31 -8.526 -5.394 1.918 1.00 0.00 C ATOM 443 NE ARG A 31 -9.074 -4.102 1.448 1.00 0.00 N ATOM 444 CZ ARG A 31 -9.988 -3.386 2.117 1.00 0.00 C ATOM 445 NH1 ARG A 31 -10.461 -3.831 3.289 1.00 0.00 N ATOM 446 NH2 ARG A 31 -10.428 -2.224 1.615 1.00 0.00 N ATOM 0 H ARG A 31 -5.990 -5.453 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.588 -3.517 0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.406 -6.273 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.013 -5.259 2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.830 -5.626 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.573 -7.037 0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.336 -6.106 2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.028 -5.259 2.878 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.735 -3.734 0.559 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.125 -4.715 3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.157 -3.286 3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.067 -1.884 0.723 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.124 -1.679 2.124 1.00 0.00 H new ATOM 460 N ILE A 32 -3.364 -4.204 0.572 1.00 0.00 N ATOM 461 CA ILE A 32 -2.074 -3.717 1.029 1.00 0.00 C ATOM 462 C ILE A 32 -1.788 -2.360 0.382 1.00 0.00 C ATOM 463 O ILE A 32 -1.669 -1.351 1.075 1.00 0.00 O ATOM 464 CB ILE A 32 -0.985 -4.762 0.774 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.388 -6.123 1.344 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.365 -4.290 1.316 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.495 -7.235 0.789 1.00 0.00 C ATOM 0 H ILE A 32 -3.320 -5.025 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.086 -3.560 2.108 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.874 -4.884 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.316 -6.102 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.429 -6.331 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.121 -5.051 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.650 -3.361 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.287 -4.122 2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.802 -8.192 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.588 -7.269 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.543 -7.037 1.058 1.00 0.00 H new ATOM 479 N ILE A 33 -1.686 -2.380 -0.938 1.00 0.00 N ATOM 480 CA ILE A 33 -1.416 -1.164 -1.686 1.00 0.00 C ATOM 481 C ILE A 33 -2.256 -0.021 -1.114 1.00 0.00 C ATOM 482 O ILE A 33 -1.750 1.079 -0.897 1.00 0.00 O ATOM 483 CB ILE A 33 -1.632 -1.396 -3.183 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.660 -2.448 -3.721 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.542 -0.081 -3.961 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.181 -3.062 -5.022 1.00 0.00 C ATOM 0 H ILE A 33 -1.785 -3.219 -1.509 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.370 -0.876 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.640 -1.786 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.315 -1.992 -3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.518 -3.231 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.699 -0.275 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.306 0.608 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.557 0.361 -3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.471 -3.806 -5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.145 -3.538 -4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.299 -2.280 -5.772 1.00 0.00 H new ATOM 498 N ALA A 34 -3.527 -0.320 -0.885 1.00 0.00 N ATOM 499 CA ALA A 34 -4.442 0.669 -0.341 1.00 0.00 C ATOM 500 C ALA A 34 -4.012 1.028 1.082 1.00 0.00 C ATOM 501 O ALA A 34 -3.883 2.204 1.418 1.00 0.00 O ATOM 502 CB ALA A 34 -5.872 0.127 -0.399 1.00 0.00 C ATOM 0 H ALA A 34 -3.944 -1.233 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.415 1.584 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.559 0.868 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.139 -0.084 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.938 -0.790 0.187 1.00 0.00 H new ATOM 508 N ALA A 35 -3.801 -0.008 1.882 1.00 0.00 N ATOM 509 CA ALA A 35 -3.388 0.184 3.261 1.00 0.00 C ATOM 510 C ALA A 35 -2.272 1.229 3.315 1.00 0.00 C ATOM 511 O ALA A 35 -2.222 2.042 4.236 1.00 0.00 O ATOM 512 CB ALA A 35 -2.959 -1.158 3.857 1.00 0.00 C ATOM 0 H ALA A 35 -3.909 -0.983 1.601 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.218 0.557 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.649 -1.014 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.796 -1.856 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.126 -1.562 3.282 1.00 0.00 H new ATOM 518 N ILE A 36 -1.404 1.172 2.315 1.00 0.00 N ATOM 519 CA ILE A 36 -0.291 2.103 2.237 1.00 0.00 C ATOM 520 C ILE A 36 -0.794 3.449 1.709 1.00 0.00 C ATOM 521 O ILE A 36 -0.306 4.501 2.117 1.00 0.00 O ATOM 522 CB ILE A 36 0.850 1.507 1.410 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.425 0.262 2.089 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.928 2.555 1.126 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.176 -0.614 1.084 1.00 0.00 C ATOM 0 H ILE A 36 -1.449 0.496 1.553 1.00 0.00 H new ATOM 0 HA ILE A 36 0.125 2.283 3.228 1.00 0.00 H new ATOM 0 HB ILE A 36 0.447 1.193 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.099 0.560 2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.619 -0.312 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.727 2.105 0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.491 3.385 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.335 2.923 2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.574 -1.492 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.493 -0.930 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.996 -0.045 0.647 1.00 0.00 H new ATOM 537 N TRP A 37 -1.764 3.370 0.809 1.00 0.00 N ATOM 538 CA TRP A 37 -2.338 4.568 0.221 1.00 0.00 C ATOM 539 C TRP A 37 -2.923 5.416 1.352 1.00 0.00 C ATOM 540 O TRP A 37 -2.749 6.634 1.374 1.00 0.00 O ATOM 541 CB TRP A 37 -3.368 4.213 -0.853 1.00 0.00 C ATOM 542 CG TRP A 37 -2.753 3.727 -2.167 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.555 3.158 -2.357 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.360 3.790 -3.475 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.346 2.851 -3.686 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.478 3.247 -4.388 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.613 4.288 -3.874 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.754 3.152 -5.757 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.873 4.186 -5.246 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.996 3.643 -6.177 1.00 0.00 C ATOM 0 H TRP A 37 -2.166 2.495 0.473 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.572 5.150 -0.291 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.030 3.439 -0.465 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.985 5.089 -1.054 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.842 2.964 -1.569 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.513 2.414 -4.081 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.319 4.715 -3.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.047 2.723 -6.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.822 4.555 -5.606 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.271 3.600 -7.220 1.00 0.00 H new ATOM 561 N HIS A 38 -3.605 4.739 2.265 1.00 0.00 N ATOM 562 CA HIS A 38 -4.216 5.415 3.396 1.00 0.00 C ATOM 563 C HIS A 38 -3.138 5.783 4.418 1.00 0.00 C ATOM 564 O HIS A 38 -2.931 6.959 4.712 1.00 0.00 O ATOM 565 CB HIS A 38 -5.337 4.564 3.996 1.00 0.00 C ATOM 566 CG HIS A 38 -5.809 5.037 5.351 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.404 4.195 6.273 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.766 6.272 5.928 1.00 0.00 C ATOM 569 CE1 HIS A 38 -6.703 4.902 7.353 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.307 6.189 7.137 1.00 0.00 N ATOM 0 H HIS A 38 -3.748 3.729 2.244 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.682 6.342 3.062 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.183 4.559 3.309 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.991 3.534 4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.360 7.166 5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.177 4.525 8.247 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.410 6.961 7.796 1.00 0.00 H new ATOM 578 N TYR A 39 -2.480 4.754 4.932 1.00 0.00 N ATOM 579 CA TYR A 39 -1.429 4.954 5.915 1.00 0.00 C ATOM 580 C TYR A 39 -0.619 6.214 5.603 1.00 0.00 C ATOM 581 O TYR A 39 -0.229 6.946 6.512 1.00 0.00 O ATOM 582 CB TYR A 39 -0.513 3.734 5.807 1.00 0.00 C ATOM 583 CG TYR A 39 0.785 3.857 6.608 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.801 3.533 7.949 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.939 4.292 5.989 1.00 0.00 C ATOM 586 CE1 TYR A 39 2.022 3.648 8.703 1.00 0.00 C ATOM 587 CE2 TYR A 39 3.161 4.407 6.744 1.00 0.00 C ATOM 588 CZ TYR A 39 3.142 4.080 8.063 1.00 0.00 C ATOM 589 OH TYR A 39 4.295 4.189 8.776 1.00 0.00 O ATOM 0 H TYR A 39 -2.654 3.780 4.686 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.853 5.071 6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.057 2.853 6.149 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.266 3.569 4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.103 3.193 8.433 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.926 4.546 4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.048 3.397 9.753 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.072 4.745 6.272 1.00 0.00 H new ATOM 0 HH TYR A 39 5.013 4.508 8.190 1.00 0.00 H new ATOM 599 N VAL A 40 -0.391 6.429 4.316 1.00 0.00 N ATOM 600 CA VAL A 40 0.365 7.588 3.873 1.00 0.00 C ATOM 601 C VAL A 40 -0.447 8.856 4.146 1.00 0.00 C ATOM 602 O VAL A 40 -0.024 9.713 4.920 1.00 0.00 O ATOM 603 CB VAL A 40 0.750 7.431 2.401 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.422 8.699 1.871 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.647 6.208 2.197 1.00 0.00 C ATOM 0 H VAL A 40 -0.717 5.820 3.565 1.00 0.00 H new ATOM 0 HA VAL A 40 1.297 7.672 4.432 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.165 7.274 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.685 8.560 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.736 9.541 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.324 8.901 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.906 6.119 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.557 6.322 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.117 5.311 2.517 1.00 0.00 H new ATOM 615 N LYS A 41 -1.598 8.935 3.495 1.00 0.00 N ATOM 616 CA LYS A 41 -2.473 10.083 3.658 1.00 0.00 C ATOM 617 C LYS A 41 -2.759 10.294 5.146 1.00 0.00 C ATOM 618 O LYS A 41 -2.853 11.430 5.609 1.00 0.00 O ATOM 619 CB LYS A 41 -3.734 9.922 2.806 1.00 0.00 C ATOM 620 CG LYS A 41 -4.894 9.376 3.641 1.00 0.00 C ATOM 621 CD LYS A 41 -6.120 9.107 2.766 1.00 0.00 C ATOM 622 CE LYS A 41 -7.204 10.160 3.005 1.00 0.00 C ATOM 623 NZ LYS A 41 -8.248 9.633 3.913 1.00 0.00 N ATOM 0 H LYS A 41 -1.945 8.222 2.853 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.985 10.988 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.012 10.884 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.531 9.248 1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.588 8.455 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.151 10.090 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.830 9.110 1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.517 8.115 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.759 11.057 3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.653 10.451 2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.976 10.360 4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.684 8.790 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.818 9.378 4.825 1.00 0.00 H new ATOM 637 N ALA A 42 -2.891 9.182 5.854 1.00 0.00 N ATOM 638 CA ALA A 42 -3.164 9.230 7.280 1.00 0.00 C ATOM 639 C ALA A 42 -1.934 9.769 8.013 1.00 0.00 C ATOM 640 O ALA A 42 -2.061 10.553 8.952 1.00 0.00 O ATOM 641 CB ALA A 42 -3.572 7.839 7.769 1.00 0.00 C ATOM 0 H ALA A 42 -2.814 8.242 5.466 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.994 9.905 7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.777 7.875 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.468 7.515 7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.763 7.134 7.578 1.00 0.00 H new ATOM 647 N ARG A 43 -0.772 9.326 7.557 1.00 0.00 N ATOM 648 CA ARG A 43 0.480 9.753 8.158 1.00 0.00 C ATOM 649 C ARG A 43 0.993 11.020 7.470 1.00 0.00 C ATOM 650 O ARG A 43 2.183 11.325 7.530 1.00 0.00 O ATOM 651 CB ARG A 43 1.544 8.658 8.053 1.00 0.00 C ATOM 652 CG ARG A 43 1.089 7.383 8.766 1.00 0.00 C ATOM 653 CD ARG A 43 1.851 7.188 10.078 1.00 0.00 C ATOM 654 NE ARG A 43 1.514 8.274 11.025 1.00 0.00 N ATOM 655 CZ ARG A 43 1.611 8.167 12.357 1.00 0.00 C ATOM 656 NH1 ARG A 43 2.036 7.021 12.908 1.00 0.00 N ATOM 657 NH2 ARG A 43 1.284 9.205 13.139 1.00 0.00 N ATOM 0 H ARG A 43 -0.671 8.675 6.778 1.00 0.00 H new ATOM 0 HA ARG A 43 0.289 9.958 9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.745 8.441 7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.478 9.010 8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.019 7.436 8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.249 6.522 8.117 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.598 6.222 10.515 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.924 7.181 9.887 1.00 0.00 H new ATOM 0 HE ARG A 43 1.187 9.160 10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.285 6.231 12.313 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.110 6.939 13.922 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.961 10.077 12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.358 9.123 14.153 1.00 0.00 H new ATOM 671 N LYS A 44 0.070 11.725 6.833 1.00 0.00 N ATOM 672 CA LYS A 44 0.414 12.952 6.135 1.00 0.00 C ATOM 673 C LYS A 44 1.733 12.755 5.386 1.00 0.00 C ATOM 674 O LYS A 44 2.560 13.663 5.328 1.00 0.00 O ATOM 675 CB LYS A 44 0.429 14.134 7.106 1.00 0.00 C ATOM 676 CG LYS A 44 -0.912 14.871 7.094 1.00 0.00 C ATOM 677 CD LYS A 44 -1.655 14.680 8.418 1.00 0.00 C ATOM 678 CE LYS A 44 -1.020 15.520 9.528 1.00 0.00 C ATOM 679 NZ LYS A 44 -1.796 16.761 9.747 1.00 0.00 N ATOM 0 H LYS A 44 -0.916 11.470 6.786 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.344 13.191 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.644 13.779 8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.229 14.823 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.745 15.933 6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.526 14.503 6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.701 14.962 8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.639 13.627 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.979 14.942 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.007 15.769 9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.352 17.319 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.814 17.319 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.769 16.518 10.022 1.00 0.00 H new ATOM 693 N LEU A 45 1.888 11.562 4.831 1.00 0.00 N ATOM 694 CA LEU A 45 3.093 11.234 4.087 1.00 0.00 C ATOM 695 C LEU A 45 2.937 11.703 2.639 1.00 0.00 C ATOM 696 O LEU A 45 3.926 11.979 1.963 1.00 0.00 O ATOM 697 CB LEU A 45 3.415 9.744 4.220 1.00 0.00 C ATOM 698 CG LEU A 45 4.095 9.318 5.523 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.215 7.795 5.606 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.450 10.010 5.686 1.00 0.00 C ATOM 0 H LEU A 45 1.200 10.811 4.881 1.00 0.00 H new ATOM 0 HA LEU A 45 3.952 11.761 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.487 9.182 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.057 9.456 3.387 1.00 0.00 H new ATOM 0 HG LEU A 45 3.469 9.637 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.702 7.519 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.221 7.349 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.808 7.430 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.912 9.690 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.098 9.743 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.307 11.090 5.704 1.00 0.00 H new ATOM 712 N GLN A 46 1.687 11.777 2.206 1.00 0.00 N ATOM 713 CA GLN A 46 1.389 12.208 0.851 1.00 0.00 C ATOM 714 C GLN A 46 2.267 13.401 0.468 1.00 0.00 C ATOM 715 O GLN A 46 2.668 14.183 1.328 1.00 0.00 O ATOM 716 CB GLN A 46 -0.095 12.548 0.698 1.00 0.00 C ATOM 717 CG GLN A 46 -0.404 13.023 -0.723 1.00 0.00 C ATOM 718 CD GLN A 46 -1.896 13.325 -0.888 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.648 13.404 0.069 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.278 13.488 -2.151 1.00 0.00 N ATOM 0 H GLN A 46 0.869 11.546 2.770 1.00 0.00 H new ATOM 0 HA GLN A 46 1.612 11.385 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.699 11.671 0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.370 13.324 1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.179 13.917 -0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.103 12.259 -1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.595 13.408 -2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.254 13.693 -2.366 1.00 0.00 H new ATOM 729 N ASN A 47 2.540 13.503 -0.825 1.00 0.00 N ATOM 730 CA ASN A 47 3.363 14.587 -1.333 1.00 0.00 C ATOM 731 C ASN A 47 2.460 15.712 -1.843 1.00 0.00 C ATOM 732 O ASN A 47 1.522 15.464 -2.599 1.00 0.00 O ATOM 733 CB ASN A 47 4.237 14.116 -2.497 1.00 0.00 C ATOM 734 CG ASN A 47 5.713 14.083 -2.097 1.00 0.00 C ATOM 735 OD1 ASN A 47 6.195 13.147 -1.480 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.402 15.153 -2.481 1.00 0.00 N ATOM 0 H ASN A 47 2.206 12.852 -1.536 1.00 0.00 H new ATOM 0 HA ASN A 47 4.002 14.935 -0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.921 13.123 -2.815 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.103 14.782 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.396 15.226 -2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.937 15.901 -2.995 1.00 0.00 H new ATOM 743 N PRO A 48 2.784 16.955 -1.398 1.00 0.00 N ATOM 744 CA PRO A 48 2.013 18.119 -1.802 1.00 0.00 C ATOM 745 C PRO A 48 2.331 18.514 -3.245 1.00 0.00 C ATOM 746 O PRO A 48 1.474 19.041 -3.952 1.00 0.00 O ATOM 747 CB PRO A 48 2.375 19.199 -0.796 1.00 0.00 C ATOM 748 CG PRO A 48 3.676 18.750 -0.152 1.00 0.00 C ATOM 749 CD PRO A 48 3.888 17.286 -0.503 1.00 0.00 C ATOM 0 HA PRO A 48 0.939 17.934 -1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.495 20.165 -1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.590 19.316 -0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.509 19.354 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.632 18.881 0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.851 17.131 -0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.876 16.659 0.389 1.00 0.00 H new ATOM 757 N ASN A 49 3.567 18.245 -3.639 1.00 0.00 N ATOM 758 CA ASN A 49 4.010 18.566 -4.986 1.00 0.00 C ATOM 759 C ASN A 49 3.479 17.511 -5.958 1.00 0.00 C ATOM 760 O ASN A 49 2.654 17.815 -6.819 1.00 0.00 O ATOM 761 CB ASN A 49 5.537 18.567 -5.078 1.00 0.00 C ATOM 762 CG ASN A 49 6.137 19.696 -4.238 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.499 19.523 -3.085 1.00 0.00 O ATOM 764 ND2 ASN A 49 6.221 20.860 -4.877 1.00 0.00 N ATOM 0 H ASN A 49 4.276 17.808 -3.050 1.00 0.00 H new ATOM 0 HA ASN A 49 3.633 19.557 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.926 17.608 -4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.842 18.681 -6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.607 21.676 -4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.900 20.936 -5.842 1.00 0.00 H new ATOM 771 N ASP A 50 3.973 16.293 -5.788 1.00 0.00 N ATOM 772 CA ASP A 50 3.558 15.192 -6.640 1.00 0.00 C ATOM 773 C ASP A 50 2.466 14.388 -5.931 1.00 0.00 C ATOM 774 O ASP A 50 2.723 13.752 -4.910 1.00 0.00 O ATOM 775 CB ASP A 50 4.727 14.249 -6.930 1.00 0.00 C ATOM 776 CG ASP A 50 5.686 14.725 -8.022 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.176 15.124 -9.091 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.908 14.679 -7.764 1.00 0.00 O ATOM 0 H ASP A 50 4.657 16.045 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 50 3.192 15.610 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.292 14.102 -6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.327 13.277 -7.217 1.00 0.00 H new ATOM 783 N PRO A 51 1.240 14.443 -6.516 1.00 0.00 N ATOM 784 CA PRO A 51 0.108 13.727 -5.952 1.00 0.00 C ATOM 785 C PRO A 51 0.213 12.227 -6.232 1.00 0.00 C ATOM 786 O PRO A 51 -0.552 11.434 -5.684 1.00 0.00 O ATOM 787 CB PRO A 51 -1.117 14.366 -6.585 1.00 0.00 C ATOM 788 CG PRO A 51 -0.615 15.094 -7.822 1.00 0.00 C ATOM 789 CD PRO A 51 0.899 15.185 -7.727 1.00 0.00 C ATOM 0 HA PRO A 51 0.062 13.801 -4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.858 13.612 -6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.598 15.057 -5.893 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.909 14.560 -8.725 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.054 16.090 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.378 14.751 -8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.230 16.221 -7.663 1.00 0.00 H new ATOM 797 N SER A 52 1.166 11.882 -7.085 1.00 0.00 N ATOM 798 CA SER A 52 1.381 10.491 -7.445 1.00 0.00 C ATOM 799 C SER A 52 2.470 9.883 -6.559 1.00 0.00 C ATOM 800 O SER A 52 2.663 8.668 -6.552 1.00 0.00 O ATOM 801 CB SER A 52 1.761 10.356 -8.921 1.00 0.00 C ATOM 802 OG SER A 52 0.673 10.677 -9.784 1.00 0.00 O ATOM 0 H SER A 52 1.798 12.542 -7.538 1.00 0.00 H new ATOM 0 HA SER A 52 0.448 9.949 -7.287 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.603 11.012 -9.140 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.092 9.336 -9.118 1.00 0.00 H new ATOM 0 HG SER A 52 0.956 10.580 -10.717 1.00 0.00 H new ATOM 808 N PHE A 53 3.153 10.756 -5.833 1.00 0.00 N ATOM 809 CA PHE A 53 4.218 10.320 -4.945 1.00 0.00 C ATOM 810 C PHE A 53 3.851 10.577 -3.482 1.00 0.00 C ATOM 811 O PHE A 53 2.787 11.121 -3.191 1.00 0.00 O ATOM 812 CB PHE A 53 5.459 11.142 -5.299 1.00 0.00 C ATOM 813 CG PHE A 53 6.463 10.402 -6.185 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.309 9.488 -5.638 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.511 10.659 -7.520 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.241 8.801 -6.461 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.443 9.972 -8.342 1.00 0.00 C ATOM 818 CZ PHE A 53 8.288 9.058 -7.795 1.00 0.00 C ATOM 0 H PHE A 53 2.990 11.763 -5.841 1.00 0.00 H new ATOM 0 HA PHE A 53 4.390 9.250 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.145 12.054 -5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.957 11.445 -4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.272 9.285 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.840 11.385 -7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.912 8.075 -6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.481 10.176 -9.402 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.997 8.536 -8.421 1.00 0.00 H new ATOM 828 N PHE A 54 4.753 10.173 -2.600 1.00 0.00 N ATOM 829 CA PHE A 54 4.538 10.352 -1.174 1.00 0.00 C ATOM 830 C PHE A 54 5.826 10.099 -0.389 1.00 0.00 C ATOM 831 O PHE A 54 6.721 9.402 -0.865 1.00 0.00 O ATOM 832 CB PHE A 54 3.485 9.326 -0.748 1.00 0.00 C ATOM 833 CG PHE A 54 3.885 7.875 -1.020 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.824 7.271 -0.243 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.302 7.188 -2.039 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.195 5.924 -0.496 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.673 5.841 -2.292 1.00 0.00 C ATOM 838 CZ PHE A 54 4.612 5.237 -1.515 1.00 0.00 C ATOM 0 H PHE A 54 5.635 9.722 -2.845 1.00 0.00 H new ATOM 0 HA PHE A 54 4.216 11.374 -0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.288 9.444 0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.552 9.539 -1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.287 7.816 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.556 7.667 -2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.941 5.445 0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.210 5.296 -3.101 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.895 4.212 -1.707 1.00 0.00 H new ATOM 848 N ASN A 55 5.880 10.678 0.802 1.00 0.00 N ATOM 849 CA ASN A 55 7.044 10.525 1.657 1.00 0.00 C ATOM 850 C ASN A 55 7.040 9.122 2.269 1.00 0.00 C ATOM 851 O ASN A 55 6.017 8.665 2.775 1.00 0.00 O ATOM 852 CB ASN A 55 7.024 11.539 2.802 1.00 0.00 C ATOM 853 CG ASN A 55 7.697 12.849 2.386 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.869 13.080 2.632 1.00 0.00 O ATOM 855 ND2 ASN A 55 6.892 13.690 1.744 1.00 0.00 N ATOM 0 H ASN A 55 5.136 11.254 1.195 1.00 0.00 H new ATOM 0 HA ASN A 55 7.933 10.686 1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.994 11.734 3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.535 11.123 3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.246 14.592 1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.920 13.434 1.571 1.00 0.00 H new ATOM 862 N CYS A 56 8.196 8.479 2.201 1.00 0.00 N ATOM 863 CA CYS A 56 8.339 7.137 2.741 1.00 0.00 C ATOM 864 C CYS A 56 8.946 7.246 4.142 1.00 0.00 C ATOM 865 O CYS A 56 10.149 7.455 4.287 1.00 0.00 O ATOM 866 CB CYS A 56 9.177 6.244 1.824 1.00 0.00 C ATOM 867 SG CYS A 56 8.466 6.236 0.138 1.00 0.00 S ATOM 0 H CYS A 56 9.043 8.862 1.780 1.00 0.00 H new ATOM 0 HA CYS A 56 7.360 6.662 2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.205 6.604 1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.207 5.229 2.220 1.00 0.00 H new ATOM 0 HG CYS A 56 7.201 6.529 0.199 1.00 0.00 H new ATOM 873 N ASP A 57 8.084 7.099 5.138 1.00 0.00 N ATOM 874 CA ASP A 57 8.520 7.178 6.522 1.00 0.00 C ATOM 875 C ASP A 57 9.677 6.202 6.744 1.00 0.00 C ATOM 876 O ASP A 57 10.157 5.578 5.799 1.00 0.00 O ATOM 877 CB ASP A 57 7.388 6.797 7.478 1.00 0.00 C ATOM 878 CG ASP A 57 6.517 7.964 7.948 1.00 0.00 C ATOM 879 OD1 ASP A 57 7.030 9.103 7.915 1.00 0.00 O ATOM 880 OD2 ASP A 57 5.358 7.690 8.328 1.00 0.00 O ATOM 0 H ASP A 57 7.086 6.926 5.014 1.00 0.00 H new ATOM 0 HA ASP A 57 8.829 8.204 6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.750 6.062 6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.820 6.310 8.353 1.00 0.00 H new ATOM 885 N ALA A 58 10.090 6.100 7.999 1.00 0.00 N ATOM 886 CA ALA A 58 11.181 5.210 8.357 1.00 0.00 C ATOM 887 C ALA A 58 10.772 3.765 8.065 1.00 0.00 C ATOM 888 O ALA A 58 11.612 2.936 7.717 1.00 0.00 O ATOM 889 CB ALA A 58 11.553 5.424 9.826 1.00 0.00 C ATOM 0 H ALA A 58 9.689 6.619 8.780 1.00 0.00 H new ATOM 0 HA ALA A 58 12.066 5.429 7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.372 4.756 10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.864 6.458 9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.689 5.210 10.455 1.00 0.00 H new ATOM 895 N ALA A 59 9.481 3.506 8.217 1.00 0.00 N ATOM 896 CA ALA A 59 8.951 2.176 7.973 1.00 0.00 C ATOM 897 C ALA A 59 8.904 1.919 6.466 1.00 0.00 C ATOM 898 O ALA A 59 9.613 1.051 5.958 1.00 0.00 O ATOM 899 CB ALA A 59 7.575 2.047 8.630 1.00 0.00 C ATOM 0 H ALA A 59 8.787 4.195 8.506 1.00 0.00 H new ATOM 0 HA ALA A 59 9.597 1.418 8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.177 1.049 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.668 2.210 9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.899 2.790 8.208 1.00 0.00 H new ATOM 905 N LEU A 60 8.061 2.688 5.792 1.00 0.00 N ATOM 906 CA LEU A 60 7.912 2.554 4.353 1.00 0.00 C ATOM 907 C LEU A 60 9.294 2.400 3.714 1.00 0.00 C ATOM 908 O LEU A 60 9.429 1.779 2.661 1.00 0.00 O ATOM 909 CB LEU A 60 7.099 3.720 3.788 1.00 0.00 C ATOM 910 CG LEU A 60 5.597 3.692 4.075 1.00 0.00 C ATOM 911 CD1 LEU A 60 4.962 5.058 3.807 1.00 0.00 C ATOM 912 CD2 LEU A 60 4.909 2.576 3.286 1.00 0.00 C ATOM 0 H LEU A 60 7.474 3.406 6.216 1.00 0.00 H new ATOM 0 HA LEU A 60 7.346 1.654 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.508 4.649 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.242 3.747 2.708 1.00 0.00 H new ATOM 0 HG LEU A 60 5.456 3.473 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.894 5.011 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.426 5.807 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.113 5.331 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.842 2.578 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.058 2.740 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.337 1.614 3.568 1.00 0.00 H new ATOM 924 N GLN A 61 10.285 2.976 4.378 1.00 0.00 N ATOM 925 CA GLN A 61 11.651 2.910 3.888 1.00 0.00 C ATOM 926 C GLN A 61 12.157 1.467 3.918 1.00 0.00 C ATOM 927 O GLN A 61 12.386 0.863 2.871 1.00 0.00 O ATOM 928 CB GLN A 61 12.569 3.830 4.697 1.00 0.00 C ATOM 929 CG GLN A 61 12.913 5.094 3.906 1.00 0.00 C ATOM 930 CD GLN A 61 14.407 5.145 3.579 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.223 4.463 4.176 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.717 5.991 2.601 1.00 0.00 N ATOM 0 H GLN A 61 10.169 3.490 5.251 1.00 0.00 H new ATOM 0 HA GLN A 61 11.662 3.257 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.082 4.104 5.633 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.485 3.299 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.334 5.119 2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.633 5.976 4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.983 6.532 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.688 6.099 2.309 1.00 0.00 H new ATOM 941 N LYS A 62 12.318 0.955 5.130 1.00 0.00 N ATOM 942 CA LYS A 62 12.793 -0.406 5.310 1.00 0.00 C ATOM 943 C LYS A 62 12.124 -1.316 4.278 1.00 0.00 C ATOM 944 O LYS A 62 12.702 -2.319 3.861 1.00 0.00 O ATOM 945 CB LYS A 62 12.585 -0.859 6.756 1.00 0.00 C ATOM 946 CG LYS A 62 13.840 -0.607 7.595 1.00 0.00 C ATOM 947 CD LYS A 62 13.817 -1.440 8.879 1.00 0.00 C ATOM 948 CE LYS A 62 14.425 -2.824 8.646 1.00 0.00 C ATOM 949 NZ LYS A 62 15.305 -3.201 9.774 1.00 0.00 N ATOM 0 H LYS A 62 12.128 1.459 5.996 1.00 0.00 H new ATOM 0 HA LYS A 62 13.867 -0.461 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.740 -0.325 7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.336 -1.920 6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.727 -0.855 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.908 0.452 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.371 -0.923 9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.791 -1.544 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.631 -3.562 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.995 -2.826 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.709 -4.143 9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.073 -2.506 9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.752 -3.220 10.655 1.00 0.00 H new ATOM 963 N VAL A 63 10.914 -0.934 3.896 1.00 0.00 N ATOM 964 CA VAL A 63 10.160 -1.703 2.920 1.00 0.00 C ATOM 965 C VAL A 63 10.705 -1.418 1.520 1.00 0.00 C ATOM 966 O VAL A 63 11.290 -2.296 0.887 1.00 0.00 O ATOM 967 CB VAL A 63 8.667 -1.397 3.054 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.864 -2.088 1.950 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.148 -1.791 4.439 1.00 0.00 C ATOM 0 H VAL A 63 10.437 -0.102 4.245 1.00 0.00 H new ATOM 0 HA VAL A 63 10.277 -2.771 3.103 1.00 0.00 H new ATOM 0 HB VAL A 63 8.534 -0.321 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.806 -1.854 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.206 -1.737 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.007 -3.167 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.084 -1.563 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.301 -2.859 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.689 -1.232 5.203 1.00 0.00 H new ATOM 979 N PHE A 64 10.494 -0.187 1.076 1.00 0.00 N ATOM 980 CA PHE A 64 10.957 0.224 -0.238 1.00 0.00 C ATOM 981 C PHE A 64 12.463 0.494 -0.229 1.00 0.00 C ATOM 982 O PHE A 64 13.231 -0.232 -0.857 1.00 0.00 O ATOM 983 CB PHE A 64 10.221 1.520 -0.586 1.00 0.00 C ATOM 984 CG PHE A 64 8.702 1.367 -0.675 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.153 0.571 -1.632 1.00 0.00 C ATOM 986 CD2 PHE A 64 7.899 2.028 0.202 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.743 0.430 -1.715 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.489 1.887 0.119 1.00 0.00 C ATOM 989 CZ PHE A 64 5.940 1.091 -0.837 1.00 0.00 C ATOM 0 H PHE A 64 10.009 0.539 1.603 1.00 0.00 H new ATOM 0 HA PHE A 64 10.760 -0.564 -0.965 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.457 2.273 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.595 1.894 -1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.790 0.046 -2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.334 2.660 0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.307 -0.202 -2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.852 2.412 0.815 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.867 0.983 -0.900 1.00 0.00 H new ATOM 999 N GLY A 65 12.840 1.540 0.492 1.00 0.00 N ATOM 1000 CA GLY A 65 14.241 1.915 0.591 1.00 0.00 C ATOM 1001 C GLY A 65 14.496 3.265 -0.081 1.00 0.00 C ATOM 1002 O GLY A 65 15.632 3.735 -0.127 1.00 0.00 O ATOM 0 H GLY A 65 12.200 2.139 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.534 1.966 1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.860 1.149 0.123 1.00 0.00 H new ATOM 1006 N GLU A 66 13.421 3.852 -0.584 1.00 0.00 N ATOM 1007 CA GLU A 66 13.514 5.140 -1.252 1.00 0.00 C ATOM 1008 C GLU A 66 12.823 6.221 -0.418 1.00 0.00 C ATOM 1009 O GLU A 66 11.792 5.966 0.204 1.00 0.00 O ATOM 1010 CB GLU A 66 12.922 5.071 -2.661 1.00 0.00 C ATOM 1011 CG GLU A 66 13.707 4.095 -3.538 1.00 0.00 C ATOM 1012 CD GLU A 66 14.039 4.721 -4.894 1.00 0.00 C ATOM 1013 OE1 GLU A 66 14.357 5.930 -4.898 1.00 0.00 O ATOM 1014 OE2 GLU A 66 13.967 3.977 -5.896 1.00 0.00 O ATOM 0 H GLU A 66 12.480 3.460 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 66 14.568 5.402 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.879 4.758 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.934 6.063 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.628 3.806 -3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.125 3.185 -3.686 1.00 0.00 H new ATOM 1021 N GLU A 67 13.417 7.405 -0.433 1.00 0.00 N ATOM 1022 CA GLU A 67 12.871 8.526 0.314 1.00 0.00 C ATOM 1023 C GLU A 67 11.384 8.699 -0.001 1.00 0.00 C ATOM 1024 O GLU A 67 10.575 8.905 0.903 1.00 0.00 O ATOM 1025 CB GLU A 67 13.648 9.811 0.019 1.00 0.00 C ATOM 1026 CG GLU A 67 13.642 10.123 -1.478 1.00 0.00 C ATOM 1027 CD GLU A 67 14.421 11.407 -1.773 1.00 0.00 C ATOM 1028 OE1 GLU A 67 15.662 11.306 -1.879 1.00 0.00 O ATOM 1029 OE2 GLU A 67 13.757 12.460 -1.886 1.00 0.00 O ATOM 0 H GLU A 67 14.271 7.613 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 67 12.974 8.314 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.206 10.642 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.675 9.708 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.082 9.292 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.615 10.228 -1.827 1.00 0.00 H new ATOM 1036 N LYS A 68 11.069 8.610 -1.284 1.00 0.00 N ATOM 1037 CA LYS A 68 9.693 8.754 -1.729 1.00 0.00 C ATOM 1038 C LYS A 68 9.393 7.699 -2.796 1.00 0.00 C ATOM 1039 O LYS A 68 10.308 7.172 -3.427 1.00 0.00 O ATOM 1040 CB LYS A 68 9.427 10.188 -2.190 1.00 0.00 C ATOM 1041 CG LYS A 68 10.528 10.674 -3.135 1.00 0.00 C ATOM 1042 CD LYS A 68 9.931 11.281 -4.407 1.00 0.00 C ATOM 1043 CE LYS A 68 9.219 12.600 -4.102 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.200 13.702 -3.980 1.00 0.00 N ATOM 0 H LYS A 68 11.743 8.440 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 68 9.005 8.576 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.462 10.238 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.369 10.847 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.145 11.416 -2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.181 9.841 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.721 11.451 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.228 10.579 -4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.505 12.827 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.650 12.508 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.700 14.590 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.865 13.491 -3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.725 13.800 -4.873 1.00 0.00 H new ATOM 1058 N LEU A 69 8.109 7.423 -2.965 1.00 0.00 N ATOM 1059 CA LEU A 69 7.677 6.441 -3.945 1.00 0.00 C ATOM 1060 C LEU A 69 6.351 6.891 -4.562 1.00 0.00 C ATOM 1061 O LEU A 69 5.709 7.812 -4.058 1.00 0.00 O ATOM 1062 CB LEU A 69 7.621 5.047 -3.317 1.00 0.00 C ATOM 1063 CG LEU A 69 8.220 3.912 -4.151 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.165 3.052 -3.308 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.120 3.077 -4.810 1.00 0.00 C ATOM 0 H LEU A 69 7.353 7.862 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 69 8.400 6.371 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.140 5.080 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.579 4.806 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 69 8.814 4.353 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.577 2.253 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.977 3.671 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.615 2.619 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.572 2.277 -5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.481 2.645 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.523 3.713 -5.463 1.00 0.00 H new ATOM 1077 N LYS A 70 5.980 6.221 -5.643 1.00 0.00 N ATOM 1078 CA LYS A 70 4.742 6.540 -6.333 1.00 0.00 C ATOM 1079 C LYS A 70 3.595 5.742 -5.711 1.00 0.00 C ATOM 1080 O LYS A 70 3.817 4.684 -5.123 1.00 0.00 O ATOM 1081 CB LYS A 70 4.897 6.321 -7.839 1.00 0.00 C ATOM 1082 CG LYS A 70 6.188 6.960 -8.357 1.00 0.00 C ATOM 1083 CD LYS A 70 6.412 6.626 -9.833 1.00 0.00 C ATOM 1084 CE LYS A 70 7.886 6.325 -10.109 1.00 0.00 C ATOM 1085 NZ LYS A 70 8.049 5.712 -11.446 1.00 0.00 N ATOM 0 H LYS A 70 6.515 5.458 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 70 4.499 7.595 -6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.903 5.253 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.041 6.747 -8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.140 8.041 -8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.034 6.607 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.803 5.766 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.086 7.461 -10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.468 7.245 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.275 5.653 -9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.051 5.747 -11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.732 4.722 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.479 6.236 -12.140 1.00 0.00 H new ATOM 1099 N PHE A 71 2.393 6.279 -5.860 1.00 0.00 N ATOM 1100 CA PHE A 71 1.211 5.629 -5.320 1.00 0.00 C ATOM 1101 C PHE A 71 0.829 4.404 -6.153 1.00 0.00 C ATOM 1102 O PHE A 71 0.063 3.555 -5.700 1.00 0.00 O ATOM 1103 CB PHE A 71 0.072 6.649 -5.383 1.00 0.00 C ATOM 1104 CG PHE A 71 0.029 7.608 -4.192 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.025 7.117 -2.925 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.044 8.952 -4.400 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.065 8.007 -1.819 1.00 0.00 C ATOM 1108 CE2 PHE A 71 0.004 9.842 -3.294 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.050 9.351 -2.027 1.00 0.00 C ATOM 0 H PHE A 71 2.212 7.157 -6.347 1.00 0.00 H new ATOM 0 HA PHE A 71 1.403 5.295 -4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.168 7.230 -6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.877 6.116 -5.441 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.037 6.050 -2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.086 9.342 -5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.107 7.617 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.016 10.909 -3.459 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.081 10.028 -1.186 1.00 0.00 H new ATOM 1119 N THR A 72 1.381 4.352 -7.357 1.00 0.00 N ATOM 1120 CA THR A 72 1.107 3.245 -8.257 1.00 0.00 C ATOM 1121 C THR A 72 2.234 2.212 -8.189 1.00 0.00 C ATOM 1122 O THR A 72 1.977 1.009 -8.152 1.00 0.00 O ATOM 1123 CB THR A 72 0.892 3.818 -9.659 1.00 0.00 C ATOM 1124 OG1 THR A 72 1.882 4.836 -9.774 1.00 0.00 O ATOM 1125 CG2 THR A 72 -0.434 4.571 -9.787 1.00 0.00 C ATOM 0 H THR A 72 2.016 5.058 -7.729 1.00 0.00 H new ATOM 0 HA THR A 72 0.202 2.712 -7.966 1.00 0.00 H new ATOM 0 HB THR A 72 0.922 3.010 -10.390 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.815 5.259 -10.655 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.537 4.957 -10.801 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.260 3.893 -9.572 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.451 5.400 -9.080 1.00 0.00 H new ATOM 1133 N MET A 73 3.458 2.718 -8.176 1.00 0.00 N ATOM 1134 CA MET A 73 4.625 1.855 -8.113 1.00 0.00 C ATOM 1135 C MET A 73 4.531 0.892 -6.928 1.00 0.00 C ATOM 1136 O MET A 73 5.063 -0.216 -6.980 1.00 0.00 O ATOM 1137 CB MET A 73 5.887 2.709 -7.979 1.00 0.00 C ATOM 1138 CG MET A 73 6.116 3.550 -9.236 1.00 0.00 C ATOM 1139 SD MET A 73 6.874 2.552 -10.508 1.00 0.00 S ATOM 1140 CE MET A 73 8.572 2.589 -9.958 1.00 0.00 C ATOM 0 H MET A 73 3.667 3.716 -8.208 1.00 0.00 H new ATOM 0 HA MET A 73 4.670 1.269 -9.031 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.798 3.363 -7.111 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.749 2.065 -7.806 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.167 3.951 -9.593 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.754 4.402 -9.002 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.233 2.404 -10.805 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.795 3.567 -9.531 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.726 1.819 -9.202 1.00 0.00 H new ATOM 1150 N VAL A 74 3.851 1.350 -5.887 1.00 0.00 N ATOM 1151 CA VAL A 74 3.681 0.543 -4.690 1.00 0.00 C ATOM 1152 C VAL A 74 3.342 -0.893 -5.093 1.00 0.00 C ATOM 1153 O VAL A 74 3.749 -1.842 -4.424 1.00 0.00 O ATOM 1154 CB VAL A 74 2.627 1.174 -3.779 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.313 0.263 -2.591 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.069 2.560 -3.306 1.00 0.00 C ATOM 0 H VAL A 74 3.411 2.269 -5.847 1.00 0.00 H new ATOM 0 HA VAL A 74 4.607 0.509 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 74 1.712 1.295 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.561 0.735 -1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.934 -0.692 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.221 0.095 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.301 2.986 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.003 2.474 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.218 3.209 -4.169 1.00 0.00 H new ATOM 1166 N SER A 75 2.599 -1.008 -6.184 1.00 0.00 N ATOM 1167 CA SER A 75 2.199 -2.313 -6.684 1.00 0.00 C ATOM 1168 C SER A 75 3.428 -3.087 -7.166 1.00 0.00 C ATOM 1169 O SER A 75 3.581 -4.268 -6.859 1.00 0.00 O ATOM 1170 CB SER A 75 1.178 -2.180 -7.815 1.00 0.00 C ATOM 1171 OG SER A 75 1.612 -1.270 -8.822 1.00 0.00 O ATOM 0 H SER A 75 2.263 -0.219 -6.736 1.00 0.00 H new ATOM 0 HA SER A 75 1.728 -2.862 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.003 -3.159 -8.262 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.226 -1.841 -7.406 1.00 0.00 H new ATOM 0 HG SER A 75 1.310 -0.365 -8.597 1.00 0.00 H new ATOM 1177 N GLN A 76 4.271 -2.390 -7.913 1.00 0.00 N ATOM 1178 CA GLN A 76 5.481 -2.997 -8.440 1.00 0.00 C ATOM 1179 C GLN A 76 6.641 -2.808 -7.460 1.00 0.00 C ATOM 1180 O GLN A 76 7.799 -2.744 -7.868 1.00 0.00 O ATOM 1181 CB GLN A 76 5.828 -2.424 -9.816 1.00 0.00 C ATOM 1182 CG GLN A 76 6.120 -0.925 -9.728 1.00 0.00 C ATOM 1183 CD GLN A 76 7.277 -0.537 -10.651 1.00 0.00 C ATOM 1184 OE1 GLN A 76 8.386 -0.267 -10.218 1.00 0.00 O ATOM 1185 NE2 GLN A 76 6.959 -0.524 -11.942 1.00 0.00 N ATOM 0 H GLN A 76 4.140 -1.411 -8.166 1.00 0.00 H new ATOM 0 HA GLN A 76 5.304 -4.066 -8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.696 -2.944 -10.222 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.001 -2.597 -10.505 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.228 -0.361 -10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.365 -0.658 -8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.011 -0.761 -12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.663 -0.277 -12.638 1.00 0.00 H new ATOM 1194 N LYS A 77 6.289 -2.724 -6.186 1.00 0.00 N ATOM 1195 CA LYS A 77 7.285 -2.543 -5.144 1.00 0.00 C ATOM 1196 C LYS A 77 6.970 -3.479 -3.975 1.00 0.00 C ATOM 1197 O LYS A 77 7.831 -4.240 -3.536 1.00 0.00 O ATOM 1198 CB LYS A 77 7.382 -1.070 -4.744 1.00 0.00 C ATOM 1199 CG LYS A 77 7.863 -0.213 -5.917 1.00 0.00 C ATOM 1200 CD LYS A 77 9.323 0.202 -5.729 1.00 0.00 C ATOM 1201 CE LYS A 77 9.606 1.539 -6.418 1.00 0.00 C ATOM 1202 NZ LYS A 77 11.060 1.714 -6.632 1.00 0.00 N ATOM 0 H LYS A 77 5.327 -2.778 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 77 8.274 -2.814 -5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.408 -0.716 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.069 -0.962 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.757 -0.771 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.237 0.675 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.548 0.282 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.979 -0.567 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.084 1.580 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.221 2.357 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.235 2.626 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.550 1.696 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.418 0.943 -7.231 1.00 0.00 H new ATOM 1216 N ILE A 78 5.735 -3.391 -3.505 1.00 0.00 N ATOM 1217 CA ILE A 78 5.296 -4.220 -2.395 1.00 0.00 C ATOM 1218 C ILE A 78 5.255 -5.682 -2.842 1.00 0.00 C ATOM 1219 O ILE A 78 5.497 -6.586 -2.044 1.00 0.00 O ATOM 1220 CB ILE A 78 3.965 -3.709 -1.839 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.831 -3.928 -2.842 1.00 0.00 C ATOM 1222 CG2 ILE A 78 4.076 -2.245 -1.409 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.839 -4.973 -2.329 1.00 0.00 C ATOM 0 H ILE A 78 5.024 -2.758 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 78 6.005 -4.158 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 78 3.722 -4.288 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.312 -2.986 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.244 -4.251 -3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.116 -1.907 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.837 -2.150 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.353 -1.634 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.043 -5.109 -3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.356 -5.920 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.410 -4.635 -1.386 1.00 0.00 H new ATOM 1235 N SER A 79 4.946 -5.870 -4.117 1.00 0.00 N ATOM 1236 CA SER A 79 4.870 -7.208 -4.679 1.00 0.00 C ATOM 1237 C SER A 79 6.101 -8.019 -4.269 1.00 0.00 C ATOM 1238 O SER A 79 6.015 -9.231 -4.080 1.00 0.00 O ATOM 1239 CB SER A 79 4.752 -7.158 -6.204 1.00 0.00 C ATOM 1240 OG SER A 79 6.008 -6.909 -6.829 1.00 0.00 O ATOM 0 H SER A 79 4.745 -5.118 -4.777 1.00 0.00 H new ATOM 0 HA SER A 79 3.976 -7.693 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.347 -8.103 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.045 -6.378 -6.487 1.00 0.00 H new ATOM 0 HG SER A 79 5.891 -6.886 -7.802 1.00 0.00 H new ATOM 1246 N HIS A 80 7.218 -7.317 -4.143 1.00 0.00 N ATOM 1247 CA HIS A 80 8.464 -7.957 -3.759 1.00 0.00 C ATOM 1248 C HIS A 80 8.338 -8.516 -2.340 1.00 0.00 C ATOM 1249 O HIS A 80 8.862 -9.588 -2.043 1.00 0.00 O ATOM 1250 CB HIS A 80 9.641 -6.991 -3.912 1.00 0.00 C ATOM 1251 CG HIS A 80 10.422 -7.173 -5.192 1.00 0.00 C ATOM 1252 ND1 HIS A 80 9.993 -6.675 -6.410 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.608 -7.803 -5.430 1.00 0.00 C ATOM 1254 CE1 HIS A 80 10.888 -6.997 -7.332 1.00 0.00 C ATOM 1255 NE2 HIS A 80 11.888 -7.696 -6.723 1.00 0.00 N ATOM 0 H HIS A 80 7.286 -6.311 -4.300 1.00 0.00 H new ATOM 0 HA HIS A 80 8.667 -8.795 -4.426 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.266 -5.968 -3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.315 -7.119 -3.065 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.216 -8.304 -4.691 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.835 -6.749 -8.382 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.715 -8.074 -7.185 1.00 0.00 H new ATOM 1263 N HIS A 81 7.639 -7.764 -1.502 1.00 0.00 N ATOM 1264 CA HIS A 81 7.437 -8.171 -0.122 1.00 0.00 C ATOM 1265 C HIS A 81 6.312 -9.205 -0.052 1.00 0.00 C ATOM 1266 O HIS A 81 6.318 -10.076 0.817 1.00 0.00 O ATOM 1267 CB HIS A 81 7.182 -6.955 0.771 1.00 0.00 C ATOM 1268 CG HIS A 81 8.350 -6.004 0.862 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.401 -6.189 1.743 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.623 -4.858 0.173 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.261 -5.194 1.583 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.777 -4.370 0.610 1.00 0.00 N ATOM 0 H HIS A 81 7.206 -6.875 -1.752 1.00 0.00 H new ATOM 0 HA HIS A 81 8.342 -8.644 0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.315 -6.414 0.392 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.929 -7.300 1.773 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.004 -4.422 -0.598 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.184 -5.059 2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.228 -3.519 0.274 1.00 0.00 H new ATOM 1280 N LEU A 82 5.373 -9.076 -0.978 1.00 0.00 N ATOM 1281 CA LEU A 82 4.244 -9.988 -1.032 1.00 0.00 C ATOM 1282 C LEU A 82 4.759 -11.425 -1.140 1.00 0.00 C ATOM 1283 O LEU A 82 5.353 -11.801 -2.150 1.00 0.00 O ATOM 1284 CB LEU A 82 3.288 -9.591 -2.158 1.00 0.00 C ATOM 1285 CG LEU A 82 2.711 -8.176 -2.081 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.606 -7.977 -3.120 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.228 -7.858 -0.664 1.00 0.00 C ATOM 0 H LEU A 82 5.371 -8.353 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 82 3.660 -9.927 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.813 -9.697 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.460 -10.299 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 82 3.507 -7.469 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.213 -6.963 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.013 -8.134 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.803 -8.692 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.822 -6.847 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.453 -8.568 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.064 -7.933 0.031 1.00 0.00 H new ATOM 1299 N SER A 83 4.513 -12.189 -0.086 1.00 0.00 N ATOM 1300 CA SER A 83 4.945 -13.576 -0.050 1.00 0.00 C ATOM 1301 C SER A 83 3.728 -14.502 -0.002 1.00 0.00 C ATOM 1302 O SER A 83 2.640 -14.082 0.388 1.00 0.00 O ATOM 1303 CB SER A 83 5.859 -13.837 1.149 1.00 0.00 C ATOM 1304 OG SER A 83 7.231 -13.626 0.830 1.00 0.00 O ATOM 0 H SER A 83 4.020 -11.874 0.750 1.00 0.00 H new ATOM 0 HA SER A 83 5.514 -13.781 -0.957 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.573 -13.182 1.972 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.720 -14.862 1.494 1.00 0.00 H new ATOM 0 HG SER A 83 7.782 -13.801 1.622 1.00 0.00 H new ATOM 1310 N PRO A 84 3.959 -15.777 -0.415 1.00 0.00 N ATOM 1311 CA PRO A 84 2.895 -16.766 -0.422 1.00 0.00 C ATOM 1312 C PRO A 84 2.581 -17.245 0.997 1.00 0.00 C ATOM 1313 O PRO A 84 3.464 -17.735 1.699 1.00 0.00 O ATOM 1314 CB PRO A 84 3.397 -17.878 -1.327 1.00 0.00 C ATOM 1315 CG PRO A 84 4.903 -17.692 -1.420 1.00 0.00 C ATOM 1316 CD PRO A 84 5.235 -16.309 -0.883 1.00 0.00 C ATOM 0 HA PRO A 84 1.951 -16.365 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.149 -18.857 -0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.935 -17.818 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.419 -18.460 -0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.237 -17.791 -2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.963 -16.363 -0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.667 -15.676 -1.658 1.00 0.00 H new ATOM 1324 N PRO A 85 1.288 -17.083 1.386 1.00 0.00 N ATOM 1325 CA PRO A 85 0.847 -17.493 2.708 1.00 0.00 C ATOM 1326 C PRO A 85 0.719 -19.015 2.795 1.00 0.00 C ATOM 1327 O PRO A 85 0.854 -19.712 1.791 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.473 -16.772 2.924 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.951 -16.355 1.542 1.00 0.00 C ATOM 1330 CD PRO A 85 0.216 -16.506 0.580 1.00 0.00 C ATOM 0 HA PRO A 85 1.560 -17.231 3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.200 -17.424 3.408 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.343 -15.904 3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.790 -16.975 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.304 -15.324 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.042 -17.154 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.510 -15.544 0.160 1.00 0.00 H new ATOM 1338 N PRO A 86 0.452 -19.499 4.038 1.00 0.00 N ATOM 1339 CA PRO A 86 0.303 -20.926 4.269 1.00 0.00 C ATOM 1340 C PRO A 86 -1.044 -21.429 3.746 1.00 0.00 C ATOM 1341 O PRO A 86 -2.040 -20.710 3.795 1.00 0.00 O ATOM 1342 CB PRO A 86 0.459 -21.099 5.771 1.00 0.00 C ATOM 1343 CG PRO A 86 0.225 -19.724 6.376 1.00 0.00 C ATOM 1344 CD PRO A 86 0.285 -18.704 5.251 1.00 0.00 C ATOM 0 HA PRO A 86 1.045 -21.519 3.734 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.259 -21.823 6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.453 -21.471 6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.744 -19.686 6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.981 -19.505 7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.625 -18.106 5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.116 -18.012 5.388 1.00 0.00 H new ATOM 1352 N PRO A 87 -1.030 -22.693 3.245 1.00 0.00 N ATOM 1353 CA PRO A 87 -2.238 -23.301 2.714 1.00 0.00 C ATOM 1354 C PRO A 87 -3.182 -23.721 3.842 1.00 0.00 C ATOM 1355 O PRO A 87 -4.290 -23.199 3.956 1.00 0.00 O ATOM 1356 CB PRO A 87 -1.753 -24.473 1.877 1.00 0.00 C ATOM 1357 CG PRO A 87 -0.335 -24.760 2.343 1.00 0.00 C ATOM 1358 CD PRO A 87 0.132 -23.574 3.172 1.00 0.00 C ATOM 0 HA PRO A 87 -2.825 -22.611 2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.394 -25.344 2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.773 -24.229 0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.305 -25.675 2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.324 -24.912 1.488 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.455 -23.887 4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.980 -23.073 2.705 1.00 0.00 H new ATOM 1366 N SER A 88 -2.709 -24.661 4.647 1.00 0.00 N ATOM 1367 CA SER A 88 -3.498 -25.158 5.761 1.00 0.00 C ATOM 1368 C SER A 88 -2.587 -25.461 6.953 1.00 0.00 C ATOM 1369 O SER A 88 -2.779 -24.917 8.039 1.00 0.00 O ATOM 1370 CB SER A 88 -4.286 -26.408 5.365 1.00 0.00 C ATOM 1371 OG SER A 88 -5.648 -26.109 5.071 1.00 0.00 O ATOM 0 H SER A 88 -1.789 -25.091 4.550 1.00 0.00 H new ATOM 0 HA SER A 88 -4.213 -24.386 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.820 -26.870 4.495 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.241 -27.137 6.175 1.00 0.00 H new ATOM 0 HG SER A 88 -6.117 -26.932 4.821 1.00 0.00 H new ATOM 1377 N GLY A 89 -1.614 -26.327 6.708 1.00 0.00 N ATOM 1378 CA GLY A 89 -0.673 -26.708 7.747 1.00 0.00 C ATOM 1379 C GLY A 89 0.086 -25.489 8.274 1.00 0.00 C ATOM 1380 O GLY A 89 0.915 -24.917 7.569 1.00 0.00 O ATOM 0 H GLY A 89 -1.457 -26.775 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.206 -27.191 8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.034 -27.438 7.352 1.00 0.00 H new ATOM 1384 N PRO A 90 -0.234 -25.117 9.543 1.00 0.00 N ATOM 1385 CA PRO A 90 0.408 -23.976 10.173 1.00 0.00 C ATOM 1386 C PRO A 90 1.839 -24.316 10.596 1.00 0.00 C ATOM 1387 O PRO A 90 2.107 -24.528 11.777 1.00 0.00 O ATOM 1388 CB PRO A 90 -0.489 -23.618 11.346 1.00 0.00 C ATOM 1389 CG PRO A 90 -1.343 -24.847 11.608 1.00 0.00 C ATOM 1390 CD PRO A 90 -1.211 -25.771 10.408 1.00 0.00 C ATOM 0 HA PRO A 90 0.515 -23.127 9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 90 0.102 -23.359 12.224 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -1.110 -22.753 11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.016 -25.352 12.517 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.385 -24.563 11.758 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -0.873 -26.763 10.707 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -2.167 -25.899 9.900 1.00 0.00 H new ATOM 1398 N SER A 91 2.720 -24.358 9.607 1.00 0.00 N ATOM 1399 CA SER A 91 4.116 -24.669 9.862 1.00 0.00 C ATOM 1400 C SER A 91 4.947 -23.384 9.861 1.00 0.00 C ATOM 1401 O SER A 91 4.535 -22.375 9.291 1.00 0.00 O ATOM 1402 CB SER A 91 4.660 -25.654 8.825 1.00 0.00 C ATOM 1403 OG SER A 91 4.487 -25.176 7.494 1.00 0.00 O ATOM 0 H SER A 91 2.494 -24.182 8.628 1.00 0.00 H new ATOM 0 HA SER A 91 4.188 -25.140 10.842 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.719 -25.830 9.012 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.153 -26.613 8.935 1.00 0.00 H new ATOM 0 HG SER A 91 4.848 -25.832 6.861 1.00 0.00 H new ATOM 1409 N SER A 92 6.102 -23.463 10.505 1.00 0.00 N ATOM 1410 CA SER A 92 6.995 -22.320 10.585 1.00 0.00 C ATOM 1411 C SER A 92 8.389 -22.707 10.087 1.00 0.00 C ATOM 1412 O SER A 92 8.863 -23.810 10.355 1.00 0.00 O ATOM 1413 CB SER A 92 7.073 -21.781 12.015 1.00 0.00 C ATOM 1414 OG SER A 92 7.322 -20.378 12.044 1.00 0.00 O ATOM 0 H SER A 92 6.440 -24.302 10.977 1.00 0.00 H new ATOM 0 HA SER A 92 6.596 -21.530 9.949 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.139 -21.994 12.534 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.864 -22.301 12.556 1.00 0.00 H new ATOM 0 HG SER A 92 7.363 -20.072 12.974 1.00 0.00 H new ATOM 1420 N GLY A 93 9.006 -21.779 9.371 1.00 0.00 N ATOM 1421 CA GLY A 93 10.336 -22.010 8.833 1.00 0.00 C ATOM 1422 C GLY A 93 11.401 -21.860 9.921 1.00 0.00 C ATOM 1423 O GLY A 93 12.588 -21.741 9.621 1.00 0.00 O ATOM 0 H GLY A 93 8.610 -20.865 9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.389 -23.010 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.533 -21.304 8.026 1.00 0.00 H new TER 1427 GLY A 93