USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 72 ASN : amide:sc= 1.17 K(o=2.1,f=-4.8!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.893 K(o=2.1,f=0.39) USER MOD Set 2.1: A 42 HIS : +bothHN:sc= 1.46 K(o=3.1,f=-10!) USER MOD Set 2.2: A 45 ASN : amide:sc= 1.64 K(o=3.1,f=-8.1!) USER MOD Single : A 1 SER N :NH3+ 166:sc= 1.54 (180deg=1.12) USER MOD Single : A 1 SER OG : rot 180:sc= 0.136 USER MOD Single : A 5 ASN : amide:sc= 0.578 K(o=0.58,f=-3.8!) USER MOD Single : A 13 THR OG1 : rot 94:sc= 1.2 USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= 0.811 (180deg=-2!) USER MOD Single : A 19 TYR OH : rot -30:sc= 1.04 USER MOD Single : A 20 ASN : amide:sc= 1.1 K(o=1.1,f=-2.4) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 24 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= -1.35 (180deg=-2.15!) USER MOD Single : A 26 SER OG : rot 166:sc= 1.48 USER MOD Single : A 41 GLN : amide:sc= 1.86 K(o=1.9,f=-5.8!) USER MOD Single : A 47 GLN : amide:sc= 0.792 K(o=0.79,f=-4.7!) USER MOD Single : A 49 MET CE :methyl 177:sc= -0.0791 (180deg=-0.0894) USER MOD Single : A 50 GLN : amide:sc= 0.524 K(o=0.52,f=-0.0042) USER MOD Single : A 57 THR OG1 : rot 126:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ 141:sc= 2.09 (180deg=0.375) USER MOD Single : A 64 GLN : amide:sc= 0.891 K(o=0.89,f=-0.014) USER MOD Single : A 69 LYS NZ :NH3+ 152:sc= 2.38 (180deg=2.05) USER MOD Single : A 79 SER OG : rot 95:sc= 0.553 USER MOD Single : A 81 THR OG1 : rot 75:sc= 1.97 USER MOD Single : A 83 LYS NZ :NH3+ 144:sc= 1.9! (180deg=0.281) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.032 9.001 13.241 1.00 0.00 N ATOM 2 CA SER A 1 -1.496 8.953 13.188 1.00 0.00 C ATOM 3 C SER A 1 -1.970 7.586 12.699 1.00 0.00 C ATOM 4 O SER A 1 -1.148 6.790 12.255 1.00 0.00 O ATOM 5 CB SER A 1 -1.930 10.088 12.262 1.00 0.00 C ATOM 6 OG SER A 1 -1.121 11.199 12.621 1.00 0.00 O ATOM 0 H1 SER A 1 0.280 9.988 13.342 1.00 0.00 H new ATOM 0 H2 SER A 1 0.304 8.447 14.054 1.00 0.00 H new ATOM 0 H3 SER A 1 0.360 8.602 12.364 1.00 0.00 H new ATOM 0 HA SER A 1 -1.944 9.085 14.173 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.785 9.818 11.216 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.988 10.316 12.389 1.00 0.00 H new ATOM 0 HG SER A 1 -1.351 11.967 12.057 1.00 0.00 H new ATOM 14 N ALA A 2 -3.276 7.318 12.774 1.00 0.00 N ATOM 15 CA ALA A 2 -3.903 6.148 12.175 1.00 0.00 C ATOM 16 C ALA A 2 -5.390 6.470 11.980 1.00 0.00 C ATOM 17 O ALA A 2 -6.099 6.600 12.975 1.00 0.00 O ATOM 18 CB ALA A 2 -3.705 4.908 13.054 1.00 0.00 C ATOM 0 H ALA A 2 -3.936 7.923 13.263 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.444 5.919 11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.183 4.049 12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.639 4.712 13.171 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.152 5.081 14.033 1.00 0.00 H new ATOM 24 N PRO A 3 -5.862 6.686 10.742 1.00 0.00 N ATOM 25 CA PRO A 3 -7.240 7.079 10.498 1.00 0.00 C ATOM 26 C PRO A 3 -8.211 5.942 10.789 1.00 0.00 C ATOM 27 O PRO A 3 -7.852 4.769 10.742 1.00 0.00 O ATOM 28 CB PRO A 3 -7.315 7.513 9.029 1.00 0.00 C ATOM 29 CG PRO A 3 -6.061 6.926 8.373 1.00 0.00 C ATOM 30 CD PRO A 3 -5.082 6.669 9.518 1.00 0.00 C ATOM 0 HA PRO A 3 -7.530 7.893 11.162 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.221 7.138 8.553 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.335 8.599 8.940 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.292 6.004 7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.639 7.618 7.644 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.581 5.709 9.391 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.305 7.433 9.543 1.00 0.00 H new ATOM 38 N ALA A 4 -9.473 6.299 11.042 1.00 0.00 N ATOM 39 CA ALA A 4 -10.534 5.315 11.154 1.00 0.00 C ATOM 40 C ALA A 4 -10.632 4.539 9.840 1.00 0.00 C ATOM 41 O ALA A 4 -10.643 3.311 9.813 1.00 0.00 O ATOM 42 CB ALA A 4 -11.855 6.010 11.495 1.00 0.00 C ATOM 0 H ALA A 4 -9.777 7.264 11.172 1.00 0.00 H new ATOM 0 HA ALA A 4 -10.314 4.612 11.957 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.647 5.266 11.578 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.754 6.539 12.443 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -12.106 6.721 10.708 1.00 0.00 H new ATOM 48 N ASN A 5 -10.614 5.273 8.726 1.00 0.00 N ATOM 49 CA ASN A 5 -10.573 4.733 7.372 1.00 0.00 C ATOM 50 C ASN A 5 -9.149 4.321 7.002 1.00 0.00 C ATOM 51 O ASN A 5 -8.703 4.561 5.887 1.00 0.00 O ATOM 52 CB ASN A 5 -11.129 5.752 6.361 1.00 0.00 C ATOM 53 CG ASN A 5 -10.598 7.169 6.563 1.00 0.00 C ATOM 54 OD1 ASN A 5 -10.771 7.766 7.623 1.00 0.00 O ATOM 55 ND2 ASN A 5 -9.912 7.702 5.563 1.00 0.00 N ATOM 0 H ASN A 5 -10.628 6.293 8.746 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.205 3.845 7.338 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.882 5.421 5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.216 5.767 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.509 8.634 5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.786 7.180 4.696 1.00 0.00 H new ATOM 62 N ALA A 6 -8.428 3.665 7.904 1.00 0.00 N ATOM 63 CA ALA A 6 -7.145 3.067 7.566 1.00 0.00 C ATOM 64 C ALA A 6 -7.344 1.694 6.934 1.00 0.00 C ATOM 65 O ALA A 6 -8.291 0.972 7.262 1.00 0.00 O ATOM 66 CB ALA A 6 -6.283 2.965 8.818 1.00 0.00 C ATOM 0 H ALA A 6 -8.712 3.535 8.875 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.637 3.700 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.323 2.517 8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.121 3.961 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.788 2.344 9.558 1.00 0.00 H new ATOM 72 N VAL A 7 -6.431 1.318 6.039 1.00 0.00 N ATOM 73 CA VAL A 7 -6.269 -0.066 5.645 1.00 0.00 C ATOM 74 C VAL A 7 -5.449 -0.769 6.722 1.00 0.00 C ATOM 75 O VAL A 7 -4.263 -0.484 6.909 1.00 0.00 O ATOM 76 CB VAL A 7 -5.600 -0.186 4.277 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.449 -1.667 3.913 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.429 0.520 3.197 1.00 0.00 C ATOM 0 H VAL A 7 -5.792 1.964 5.575 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.247 -0.538 5.551 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.621 0.290 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.972 -1.755 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.835 -2.165 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.433 -2.136 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.931 0.420 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.419 0.066 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.527 1.576 3.447 1.00 0.00 H new ATOM 88 N ALA A 8 -6.111 -1.695 7.412 1.00 0.00 N ATOM 89 CA ALA A 8 -5.532 -2.519 8.453 1.00 0.00 C ATOM 90 C ALA A 8 -4.811 -3.701 7.810 1.00 0.00 C ATOM 91 O ALA A 8 -5.255 -4.204 6.779 1.00 0.00 O ATOM 92 CB ALA A 8 -6.639 -3.001 9.395 1.00 0.00 C ATOM 0 H ALA A 8 -7.098 -1.894 7.251 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.812 -1.943 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.205 -3.621 10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.134 -2.140 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.367 -3.585 8.832 1.00 0.00 H new ATOM 98 N ALA A 9 -3.709 -4.154 8.411 1.00 0.00 N ATOM 99 CA ALA A 9 -2.962 -5.313 7.930 1.00 0.00 C ATOM 100 C ALA A 9 -3.892 -6.518 7.755 1.00 0.00 C ATOM 101 O ALA A 9 -3.812 -7.245 6.768 1.00 0.00 O ATOM 102 CB ALA A 9 -1.836 -5.631 8.918 1.00 0.00 C ATOM 0 H ALA A 9 -3.310 -3.725 9.246 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.528 -5.086 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.275 -6.496 8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.169 -4.773 8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.262 -5.851 9.897 1.00 0.00 H new ATOM 108 N ASP A 10 -4.783 -6.701 8.727 1.00 0.00 N ATOM 109 CA ASP A 10 -5.747 -7.779 8.836 1.00 0.00 C ATOM 110 C ASP A 10 -7.085 -7.444 8.164 1.00 0.00 C ATOM 111 O ASP A 10 -8.041 -8.199 8.334 1.00 0.00 O ATOM 112 CB ASP A 10 -5.950 -8.073 10.333 1.00 0.00 C ATOM 113 CG ASP A 10 -6.449 -6.847 11.092 1.00 0.00 C ATOM 114 OD1 ASP A 10 -5.737 -5.818 11.010 1.00 0.00 O ATOM 115 OD2 ASP A 10 -7.516 -6.952 11.732 1.00 0.00 O ATOM 0 H ASP A 10 -4.850 -6.051 9.511 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.361 -8.655 8.314 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.665 -8.887 10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.009 -8.411 10.767 1.00 0.00 H new ATOM 120 N ASP A 11 -7.184 -6.354 7.387 1.00 0.00 N ATOM 121 CA ASP A 11 -8.408 -6.093 6.632 1.00 0.00 C ATOM 122 C ASP A 11 -8.665 -7.271 5.683 1.00 0.00 C ATOM 123 O ASP A 11 -7.732 -7.912 5.201 1.00 0.00 O ATOM 124 CB ASP A 11 -8.327 -4.746 5.897 1.00 0.00 C ATOM 125 CG ASP A 11 -9.653 -4.280 5.310 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.269 -5.049 4.537 1.00 0.00 O ATOM 127 OD2 ASP A 11 -10.013 -3.124 5.621 1.00 0.00 O ATOM 0 H ASP A 11 -6.448 -5.658 7.269 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.256 -6.011 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.961 -3.988 6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.594 -4.825 5.094 1.00 0.00 H new ATOM 132 N ALA A 12 -9.930 -7.548 5.379 1.00 0.00 N ATOM 133 CA ALA A 12 -10.282 -8.646 4.486 1.00 0.00 C ATOM 134 C ALA A 12 -9.771 -8.305 3.089 1.00 0.00 C ATOM 135 O ALA A 12 -9.199 -9.130 2.375 1.00 0.00 O ATOM 136 CB ALA A 12 -11.799 -8.849 4.493 1.00 0.00 C ATOM 0 H ALA A 12 -10.729 -7.026 5.739 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.823 -9.578 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.059 -9.670 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.130 -9.085 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.290 -7.936 4.155 1.00 0.00 H new ATOM 142 N THR A 13 -9.947 -7.038 2.735 1.00 0.00 N ATOM 143 CA THR A 13 -9.455 -6.443 1.519 1.00 0.00 C ATOM 144 C THR A 13 -7.926 -6.529 1.509 1.00 0.00 C ATOM 145 O THR A 13 -7.324 -6.945 0.522 1.00 0.00 O ATOM 146 CB THR A 13 -9.947 -4.990 1.488 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.232 -4.867 2.070 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.974 -4.456 0.054 1.00 0.00 C ATOM 0 H THR A 13 -10.460 -6.377 3.319 1.00 0.00 H new ATOM 0 HA THR A 13 -9.820 -6.961 0.632 1.00 0.00 H new ATOM 0 HB THR A 13 -9.246 -4.397 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.141 -4.621 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.326 -3.424 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.970 -4.496 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.646 -5.067 -0.549 1.00 0.00 H new ATOM 156 N ALA A 14 -7.284 -6.169 2.626 1.00 0.00 N ATOM 157 CA ALA A 14 -5.833 -6.233 2.726 1.00 0.00 C ATOM 158 C ALA A 14 -5.356 -7.654 2.466 1.00 0.00 C ATOM 159 O ALA A 14 -4.440 -7.864 1.680 1.00 0.00 O ATOM 160 CB ALA A 14 -5.340 -5.760 4.092 1.00 0.00 C ATOM 0 H ALA A 14 -7.751 -5.832 3.468 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.418 -5.564 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.252 -5.822 4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.650 -4.727 4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.766 -6.392 4.871 1.00 0.00 H new ATOM 166 N ILE A 15 -6.000 -8.633 3.097 1.00 0.00 N ATOM 167 CA ILE A 15 -5.710 -10.039 2.902 1.00 0.00 C ATOM 168 C ILE A 15 -5.837 -10.365 1.412 1.00 0.00 C ATOM 169 O ILE A 15 -4.897 -10.895 0.825 1.00 0.00 O ATOM 170 CB ILE A 15 -6.597 -10.872 3.839 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.014 -10.736 5.256 1.00 0.00 C ATOM 172 CG2 ILE A 15 -6.654 -12.344 3.411 1.00 0.00 C ATOM 173 CD1 ILE A 15 -6.968 -11.238 6.335 1.00 0.00 C ATOM 0 H ILE A 15 -6.749 -8.462 3.768 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.686 -10.295 3.174 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.623 -10.505 3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.079 -11.294 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.774 -9.690 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.291 -12.899 4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.062 -12.414 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.649 -12.767 3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.505 -11.118 7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.894 -10.663 6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.188 -12.292 6.164 1.00 0.00 H new ATOM 185 N ALA A 16 -6.950 -9.994 0.773 1.00 0.00 N ATOM 186 CA ALA A 16 -7.124 -10.201 -0.663 1.00 0.00 C ATOM 187 C ALA A 16 -5.976 -9.598 -1.492 1.00 0.00 C ATOM 188 O ALA A 16 -5.537 -10.200 -2.468 1.00 0.00 O ATOM 189 CB ALA A 16 -8.477 -9.646 -1.111 1.00 0.00 C ATOM 0 H ALA A 16 -7.745 -9.548 1.231 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.100 -11.276 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.598 -9.804 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.276 -10.159 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.522 -8.579 -0.895 1.00 0.00 H new ATOM 195 N LEU A 17 -5.485 -8.419 -1.103 1.00 0.00 N ATOM 196 CA LEU A 17 -4.393 -7.722 -1.792 1.00 0.00 C ATOM 197 C LEU A 17 -3.017 -8.198 -1.322 1.00 0.00 C ATOM 198 O LEU A 17 -2.006 -7.834 -1.921 1.00 0.00 O ATOM 199 CB LEU A 17 -4.581 -6.205 -1.671 1.00 0.00 C ATOM 200 CG LEU A 17 -5.913 -5.683 -2.245 1.00 0.00 C ATOM 201 CD1 LEU A 17 -5.897 -4.155 -2.177 1.00 0.00 C ATOM 202 CD2 LEU A 17 -6.160 -6.117 -3.694 1.00 0.00 C ATOM 0 H LEU A 17 -5.838 -7.914 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.433 -7.974 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.518 -5.926 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.758 -5.707 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.719 -6.109 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.831 -3.763 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.787 -3.838 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.061 -3.773 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.114 -5.716 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.359 -5.739 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.183 -7.205 -3.749 1.00 0.00 H new ATOM 214 N LYS A 18 -2.963 -9.022 -0.269 1.00 0.00 N ATOM 215 CA LYS A 18 -1.756 -9.327 0.470 1.00 0.00 C ATOM 216 C LYS A 18 -1.016 -8.033 0.802 1.00 0.00 C ATOM 217 O LYS A 18 0.192 -7.920 0.614 1.00 0.00 O ATOM 218 CB LYS A 18 -0.919 -10.356 -0.290 1.00 0.00 C ATOM 219 CG LYS A 18 -1.697 -11.651 -0.567 1.00 0.00 C ATOM 220 CD LYS A 18 -2.119 -12.469 0.670 1.00 0.00 C ATOM 221 CE LYS A 18 -0.985 -13.030 1.542 1.00 0.00 C ATOM 222 NZ LYS A 18 -0.423 -12.038 2.480 1.00 0.00 N ATOM 0 H LYS A 18 -3.786 -9.503 0.094 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.996 -9.793 1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.587 -9.925 -1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.023 -10.589 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.594 -11.398 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.086 -12.288 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.751 -11.839 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.735 -13.303 0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.359 -13.883 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.189 -13.401 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.216 -12.498 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.454 -11.643 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.111 -11.272 2.629 1.00 0.00 H new ATOM 236 N TYR A 19 -1.773 -7.059 1.311 1.00 0.00 N ATOM 237 CA TYR A 19 -1.212 -5.821 1.804 1.00 0.00 C ATOM 238 C TYR A 19 -0.506 -6.083 3.128 1.00 0.00 C ATOM 239 O TYR A 19 -0.979 -6.884 3.934 1.00 0.00 O ATOM 240 CB TYR A 19 -2.291 -4.733 1.920 1.00 0.00 C ATOM 241 CG TYR A 19 -1.986 -3.566 2.857 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.340 -3.655 4.217 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.431 -2.367 2.369 1.00 0.00 C ATOM 244 CE1 TYR A 19 -2.293 -2.518 5.041 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.346 -1.238 3.211 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.877 -1.289 4.510 1.00 0.00 C ATOM 247 OH TYR A 19 -2.020 -0.148 5.246 1.00 0.00 O ATOM 0 H TYR A 19 -2.788 -7.116 1.388 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.475 -5.445 1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.478 -4.331 0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.216 -5.204 2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.650 -4.604 4.630 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.071 -2.312 1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.577 -2.591 6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.872 -0.334 2.856 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.797 -0.235 5.837 1.00 0.00 H new ATOM 257 N ASN A 20 0.573 -5.346 3.392 1.00 0.00 N ATOM 258 CA ASN A 20 0.948 -5.038 4.763 1.00 0.00 C ATOM 259 C ASN A 20 1.242 -3.551 4.873 1.00 0.00 C ATOM 260 O ASN A 20 1.685 -2.930 3.907 1.00 0.00 O ATOM 261 CB ASN A 20 2.091 -5.899 5.296 1.00 0.00 C ATOM 262 CG ASN A 20 2.287 -5.606 6.781 1.00 0.00 C ATOM 263 OD1 ASN A 20 1.324 -5.490 7.534 1.00 0.00 O ATOM 264 ND2 ASN A 20 3.517 -5.370 7.206 1.00 0.00 N ATOM 0 H ASN A 20 1.193 -4.957 2.681 1.00 0.00 H new ATOM 0 HA ASN A 20 0.104 -5.288 5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.867 -6.955 5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.009 -5.688 4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.677 -5.087 8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.306 -5.471 6.567 1.00 0.00 H new ATOM 271 N GLN A 21 0.959 -2.997 6.054 1.00 0.00 N ATOM 272 CA GLN A 21 1.082 -1.580 6.345 1.00 0.00 C ATOM 273 C GLN A 21 2.553 -1.179 6.472 1.00 0.00 C ATOM 274 O GLN A 21 2.911 -0.057 6.118 1.00 0.00 O ATOM 275 CB GLN A 21 0.265 -1.268 7.607 1.00 0.00 C ATOM 276 CG GLN A 21 0.044 0.236 7.803 1.00 0.00 C ATOM 277 CD GLN A 21 0.856 0.812 8.960 1.00 0.00 C ATOM 278 OE1 GLN A 21 2.047 1.065 8.835 1.00 0.00 O ATOM 279 NE2 GLN A 21 0.213 1.043 10.100 1.00 0.00 N ATOM 0 H GLN A 21 0.630 -3.542 6.851 1.00 0.00 H new ATOM 0 HA GLN A 21 0.681 -0.985 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.701 -1.769 7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.779 -1.674 8.479 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.309 0.759 6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.015 0.422 7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.780 0.823 10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.712 1.440 10.896 1.00 0.00 H new ATOM 288 N ASP A 22 3.398 -2.107 6.936 1.00 0.00 N ATOM 289 CA ASP A 22 4.849 -1.950 6.939 1.00 0.00 C ATOM 290 C ASP A 22 5.445 -2.895 5.893 1.00 0.00 C ATOM 291 O ASP A 22 5.596 -4.101 6.102 1.00 0.00 O ATOM 292 CB ASP A 22 5.434 -2.102 8.352 1.00 0.00 C ATOM 293 CG ASP A 22 5.485 -3.528 8.867 1.00 0.00 C ATOM 294 OD1 ASP A 22 4.430 -4.031 9.318 1.00 0.00 O ATOM 295 OD2 ASP A 22 6.583 -4.137 8.880 1.00 0.00 O ATOM 0 H ASP A 22 3.085 -2.997 7.324 1.00 0.00 H new ATOM 0 HA ASP A 22 5.125 -0.936 6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.444 -1.691 8.359 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.841 -1.502 9.042 1.00 0.00 H new ATOM 300 N ALA A 23 5.759 -2.350 4.718 1.00 0.00 N ATOM 301 CA ALA A 23 6.272 -3.116 3.596 1.00 0.00 C ATOM 302 C ALA A 23 7.477 -3.972 3.996 1.00 0.00 C ATOM 303 O ALA A 23 7.648 -5.070 3.477 1.00 0.00 O ATOM 304 CB ALA A 23 6.614 -2.160 2.457 1.00 0.00 C ATOM 0 H ALA A 23 5.661 -1.354 4.522 1.00 0.00 H new ATOM 0 HA ALA A 23 5.503 -3.812 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.000 -2.727 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.717 -1.620 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.369 -1.449 2.793 1.00 0.00 H new ATOM 310 N THR A 24 8.279 -3.499 4.951 1.00 0.00 N ATOM 311 CA THR A 24 9.344 -4.239 5.613 1.00 0.00 C ATOM 312 C THR A 24 8.988 -5.700 5.892 1.00 0.00 C ATOM 313 O THR A 24 9.820 -6.582 5.693 1.00 0.00 O ATOM 314 CB THR A 24 9.663 -3.499 6.920 1.00 0.00 C ATOM 315 OG1 THR A 24 8.488 -2.891 7.439 1.00 0.00 O ATOM 316 CG2 THR A 24 10.663 -2.376 6.631 1.00 0.00 C ATOM 0 H THR A 24 8.196 -2.543 5.297 1.00 0.00 H new ATOM 0 HA THR A 24 10.209 -4.279 4.951 1.00 0.00 H new ATOM 0 HB THR A 24 10.066 -4.217 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.914 -3.577 7.840 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.893 -1.847 7.556 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.578 -2.801 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.230 -1.680 5.913 1.00 0.00 H new ATOM 324 N LYS A 25 7.775 -5.957 6.387 1.00 0.00 N ATOM 325 CA LYS A 25 7.345 -7.291 6.786 1.00 0.00 C ATOM 326 C LYS A 25 6.416 -7.920 5.738 1.00 0.00 C ATOM 327 O LYS A 25 5.876 -9.000 5.969 1.00 0.00 O ATOM 328 CB LYS A 25 6.714 -7.157 8.174 1.00 0.00 C ATOM 329 CG LYS A 25 6.359 -8.474 8.870 1.00 0.00 C ATOM 330 CD LYS A 25 6.082 -8.268 10.368 1.00 0.00 C ATOM 331 CE LYS A 25 5.033 -7.176 10.632 1.00 0.00 C ATOM 332 NZ LYS A 25 5.608 -5.814 10.677 1.00 0.00 N ATOM 0 H LYS A 25 7.063 -5.239 6.521 1.00 0.00 H new ATOM 0 HA LYS A 25 8.186 -7.982 6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.401 -6.603 8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.808 -6.558 8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.481 -8.912 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.177 -9.184 8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.740 -9.207 10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.011 -8.003 10.872 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.272 -7.216 9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.532 -7.383 11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.840 -5.113 10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.171 -5.703 11.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.218 -5.667 9.847 1.00 0.00 H new ATOM 346 N SER A 26 6.229 -7.275 4.583 1.00 0.00 N ATOM 347 CA SER A 26 5.528 -7.888 3.471 1.00 0.00 C ATOM 348 C SER A 26 6.363 -9.020 2.867 1.00 0.00 C ATOM 349 O SER A 26 7.591 -9.040 2.929 1.00 0.00 O ATOM 350 CB SER A 26 5.188 -6.836 2.405 1.00 0.00 C ATOM 351 OG SER A 26 4.707 -7.435 1.220 1.00 0.00 O ATOM 0 H SER A 26 6.557 -6.326 4.402 1.00 0.00 H new ATOM 0 HA SER A 26 4.596 -8.313 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.438 -6.149 2.797 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.076 -6.244 2.180 1.00 0.00 H new ATOM 0 HG SER A 26 4.288 -6.752 0.655 1.00 0.00 H new ATOM 357 N GLU A 27 5.653 -9.914 2.186 1.00 0.00 N ATOM 358 CA GLU A 27 6.142 -10.920 1.269 1.00 0.00 C ATOM 359 C GLU A 27 6.668 -10.308 -0.040 1.00 0.00 C ATOM 360 O GLU A 27 7.058 -11.052 -0.939 1.00 0.00 O ATOM 361 CB GLU A 27 5.019 -11.937 1.007 1.00 0.00 C ATOM 362 CG GLU A 27 3.754 -11.341 0.362 1.00 0.00 C ATOM 363 CD GLU A 27 2.824 -10.655 1.353 1.00 0.00 C ATOM 364 OE1 GLU A 27 3.074 -9.465 1.651 1.00 0.00 O ATOM 365 OE2 GLU A 27 1.904 -11.345 1.840 1.00 0.00 O ATOM 0 H GLU A 27 4.637 -9.950 2.274 1.00 0.00 H new ATOM 0 HA GLU A 27 6.994 -11.426 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.404 -12.725 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.743 -12.406 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.051 -10.622 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.207 -12.136 -0.145 1.00 0.00 H new ATOM 372 N ARG A 28 6.706 -8.978 -0.176 1.00 0.00 N ATOM 373 CA ARG A 28 7.203 -8.302 -1.365 1.00 0.00 C ATOM 374 C ARG A 28 8.550 -8.858 -1.836 1.00 0.00 C ATOM 375 O ARG A 28 8.765 -9.022 -3.031 1.00 0.00 O ATOM 376 CB ARG A 28 7.255 -6.792 -1.113 1.00 0.00 C ATOM 377 CG ARG A 28 8.175 -6.390 0.040 1.00 0.00 C ATOM 378 CD ARG A 28 8.265 -4.869 0.142 1.00 0.00 C ATOM 379 NE ARG A 28 9.279 -4.489 1.144 1.00 0.00 N ATOM 380 CZ ARG A 28 9.679 -3.246 1.451 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.294 -2.199 0.721 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.538 -3.030 2.449 1.00 0.00 N ATOM 0 H ARG A 28 6.386 -8.338 0.551 1.00 0.00 H new ATOM 0 HA ARG A 28 6.509 -8.494 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.589 -6.293 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.247 -6.433 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.798 -6.802 0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.169 -6.810 -0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.525 -4.446 -0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.295 -4.457 0.420 1.00 0.00 H new ATOM 0 HE ARG A 28 9.722 -5.251 1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.685 -2.336 -0.086 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.608 -1.261 0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.899 -3.816 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.833 -2.079 2.671 1.00 0.00 H new ATOM 396 N VAL A 29 9.443 -9.174 -0.897 1.00 0.00 N ATOM 397 CA VAL A 29 10.733 -9.813 -1.148 1.00 0.00 C ATOM 398 C VAL A 29 10.553 -11.155 -1.858 1.00 0.00 C ATOM 399 O VAL A 29 11.287 -11.468 -2.791 1.00 0.00 O ATOM 400 CB VAL A 29 11.491 -9.924 0.189 1.00 0.00 C ATOM 401 CG1 VAL A 29 12.130 -11.290 0.472 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.571 -8.843 0.286 1.00 0.00 C ATOM 0 H VAL A 29 9.281 -8.985 0.092 1.00 0.00 H new ATOM 0 HA VAL A 29 11.334 -9.208 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 29 10.720 -9.787 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.638 -11.261 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.356 -12.057 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.851 -11.524 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 29 13.096 -8.937 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.280 -8.963 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.107 -7.859 0.224 1.00 0.00 H new ATOM 412 N ALA A 30 9.582 -11.949 -1.409 1.00 0.00 N ATOM 413 CA ALA A 30 9.276 -13.241 -2.007 1.00 0.00 C ATOM 414 C ALA A 30 8.697 -13.042 -3.407 1.00 0.00 C ATOM 415 O ALA A 30 9.085 -13.727 -4.349 1.00 0.00 O ATOM 416 CB ALA A 30 8.312 -14.029 -1.115 1.00 0.00 C ATOM 0 H ALA A 30 8.985 -11.710 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 30 10.195 -13.820 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.094 -14.992 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.769 -14.190 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.386 -13.467 -0.994 1.00 0.00 H new ATOM 422 N ALA A 31 7.757 -12.102 -3.539 1.00 0.00 N ATOM 423 CA ALA A 31 7.134 -11.788 -4.819 1.00 0.00 C ATOM 424 C ALA A 31 8.163 -11.267 -5.830 1.00 0.00 C ATOM 425 O ALA A 31 8.104 -11.616 -7.006 1.00 0.00 O ATOM 426 CB ALA A 31 6.013 -10.767 -4.605 1.00 0.00 C ATOM 0 H ALA A 31 7.410 -11.541 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 31 6.711 -12.703 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.547 -10.532 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.265 -11.184 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.427 -9.857 -4.170 1.00 0.00 H new ATOM 432 N ALA A 32 9.069 -10.402 -5.365 1.00 0.00 N ATOM 433 CA ALA A 32 10.099 -9.713 -6.135 1.00 0.00 C ATOM 434 C ALA A 32 9.592 -9.257 -7.505 1.00 0.00 C ATOM 435 O ALA A 32 10.187 -9.565 -8.536 1.00 0.00 O ATOM 436 CB ALA A 32 11.358 -10.580 -6.236 1.00 0.00 C ATOM 0 H ALA A 32 9.101 -10.151 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 32 10.365 -8.801 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.118 -10.053 -6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.740 -10.785 -5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.114 -11.520 -6.731 1.00 0.00 H new ATOM 442 N ARG A 33 8.491 -8.498 -7.518 1.00 0.00 N ATOM 443 CA ARG A 33 7.954 -7.969 -8.763 1.00 0.00 C ATOM 444 C ARG A 33 9.003 -7.113 -9.480 1.00 0.00 C ATOM 445 O ARG A 33 9.759 -6.414 -8.808 1.00 0.00 O ATOM 446 CB ARG A 33 6.686 -7.165 -8.512 1.00 0.00 C ATOM 447 CG ARG A 33 5.525 -8.158 -8.479 1.00 0.00 C ATOM 448 CD ARG A 33 4.211 -7.405 -8.475 1.00 0.00 C ATOM 449 NE ARG A 33 4.033 -6.613 -9.704 1.00 0.00 N ATOM 450 CZ ARG A 33 3.088 -5.679 -9.877 1.00 0.00 C ATOM 451 NH1 ARG A 33 2.139 -5.520 -8.959 1.00 0.00 N ATOM 452 NH2 ARG A 33 3.094 -4.895 -10.960 1.00 0.00 N ATOM 0 H ARG A 33 7.962 -8.241 -6.684 1.00 0.00 H new ATOM 0 HA ARG A 33 7.697 -8.811 -9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.755 -6.621 -7.570 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.537 -6.424 -9.298 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.574 -8.819 -9.344 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.597 -8.788 -7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.387 -8.112 -8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.172 -6.745 -7.608 1.00 0.00 H new ATOM 0 HE ARG A 33 4.674 -6.788 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.132 -6.108 -8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.418 -4.810 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.823 -5.005 -11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.370 -4.187 -11.081 1.00 0.00 H new ATOM 466 N PRO A 34 9.049 -7.123 -10.819 1.00 0.00 N ATOM 467 CA PRO A 34 9.921 -6.233 -11.565 1.00 0.00 C ATOM 468 C PRO A 34 9.462 -4.782 -11.385 1.00 0.00 C ATOM 469 O PRO A 34 8.284 -4.522 -11.138 1.00 0.00 O ATOM 470 CB PRO A 34 9.814 -6.693 -13.022 1.00 0.00 C ATOM 471 CG PRO A 34 8.407 -7.285 -13.099 1.00 0.00 C ATOM 472 CD PRO A 34 8.217 -7.909 -11.715 1.00 0.00 C ATOM 0 HA PRO A 34 10.956 -6.269 -11.224 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.940 -5.863 -13.717 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.576 -7.433 -13.268 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.658 -6.520 -13.302 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.325 -8.029 -13.891 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.171 -7.876 -11.410 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.517 -8.957 -11.712 1.00 0.00 H new ATOM 480 N GLY A 35 10.401 -3.840 -11.517 1.00 0.00 N ATOM 481 CA GLY A 35 10.155 -2.412 -11.397 1.00 0.00 C ATOM 482 C GLY A 35 11.290 -1.765 -10.610 1.00 0.00 C ATOM 483 O GLY A 35 12.062 -0.983 -11.155 1.00 0.00 O ATOM 0 H GLY A 35 11.376 -4.062 -11.715 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.081 -1.961 -12.386 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.204 -2.237 -10.894 1.00 0.00 H new ATOM 487 N LEU A 36 11.388 -2.117 -9.329 1.00 0.00 N ATOM 488 CA LEU A 36 12.401 -1.658 -8.386 1.00 0.00 C ATOM 489 C LEU A 36 12.596 -2.823 -7.407 1.00 0.00 C ATOM 490 O LEU A 36 11.759 -3.729 -7.389 1.00 0.00 O ATOM 491 CB LEU A 36 11.911 -0.367 -7.697 1.00 0.00 C ATOM 492 CG LEU A 36 12.842 0.856 -7.780 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.126 1.298 -9.219 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.192 2.020 -7.024 1.00 0.00 C ATOM 0 H LEU A 36 10.727 -2.765 -8.900 1.00 0.00 H new ATOM 0 HA LEU A 36 13.351 -1.403 -8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.950 -0.093 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.734 -0.589 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 36 13.796 0.569 -7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.788 2.164 -9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.603 0.483 -9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.189 1.562 -9.710 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.841 2.894 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.229 2.256 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.043 1.739 -5.982 1.00 0.00 H new ATOM 506 N PRO A 37 13.679 -2.852 -6.619 1.00 0.00 N ATOM 507 CA PRO A 37 13.976 -3.975 -5.751 1.00 0.00 C ATOM 508 C PRO A 37 12.935 -3.980 -4.630 1.00 0.00 C ATOM 509 O PRO A 37 12.452 -2.906 -4.261 1.00 0.00 O ATOM 510 CB PRO A 37 15.405 -3.735 -5.260 1.00 0.00 C ATOM 511 CG PRO A 37 15.574 -2.215 -5.307 1.00 0.00 C ATOM 512 CD PRO A 37 14.531 -1.720 -6.315 1.00 0.00 C ATOM 0 HA PRO A 37 13.925 -4.953 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.548 -4.120 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.134 -4.236 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.412 -1.771 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.582 -1.941 -5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.949 -0.898 -5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.013 -1.344 -7.218 1.00 0.00 H new ATOM 520 N PRO A 38 12.556 -5.161 -4.110 1.00 0.00 N ATOM 521 CA PRO A 38 11.381 -5.315 -3.268 1.00 0.00 C ATOM 522 C PRO A 38 11.392 -4.302 -2.134 1.00 0.00 C ATOM 523 O PRO A 38 10.387 -3.647 -1.875 1.00 0.00 O ATOM 524 CB PRO A 38 11.361 -6.772 -2.791 1.00 0.00 C ATOM 525 CG PRO A 38 12.765 -7.296 -3.094 1.00 0.00 C ATOM 526 CD PRO A 38 13.260 -6.422 -4.246 1.00 0.00 C ATOM 0 HA PRO A 38 10.461 -5.111 -3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.134 -6.838 -1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.600 -7.350 -3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.416 -7.212 -2.224 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.743 -8.349 -3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.339 -6.276 -4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.049 -6.887 -5.209 1.00 0.00 H new ATOM 534 N GLU A 39 12.543 -4.099 -1.498 1.00 0.00 N ATOM 535 CA GLU A 39 12.597 -3.219 -0.354 1.00 0.00 C ATOM 536 C GLU A 39 12.217 -1.758 -0.641 1.00 0.00 C ATOM 537 O GLU A 39 11.668 -1.106 0.254 1.00 0.00 O ATOM 538 CB GLU A 39 13.843 -3.480 0.488 1.00 0.00 C ATOM 539 CG GLU A 39 13.813 -4.933 1.013 1.00 0.00 C ATOM 540 CD GLU A 39 12.590 -5.192 1.897 1.00 0.00 C ATOM 541 OE1 GLU A 39 12.542 -4.621 3.008 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.607 -5.787 1.402 1.00 0.00 O ATOM 0 H GLU A 39 13.432 -4.528 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 39 11.773 -3.483 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.740 -3.316 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.884 -2.781 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.805 -5.624 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.721 -5.133 1.581 1.00 0.00 H new ATOM 549 N GLU A 40 12.358 -1.292 -1.888 1.00 0.00 N ATOM 550 CA GLU A 40 11.820 -0.007 -2.325 1.00 0.00 C ATOM 551 C GLU A 40 10.609 -0.161 -3.251 1.00 0.00 C ATOM 552 O GLU A 40 10.336 0.700 -4.084 1.00 0.00 O ATOM 553 CB GLU A 40 12.942 0.867 -2.906 1.00 0.00 C ATOM 554 CG GLU A 40 13.718 1.543 -1.765 1.00 0.00 C ATOM 555 CD GLU A 40 12.830 2.537 -1.023 1.00 0.00 C ATOM 556 OE1 GLU A 40 12.378 3.502 -1.672 1.00 0.00 O ATOM 557 OE2 GLU A 40 12.481 2.259 0.145 1.00 0.00 O ATOM 0 H GLU A 40 12.851 -1.801 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 40 11.427 0.518 -1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.617 0.257 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.521 1.622 -3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.085 0.787 -1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.591 2.057 -2.167 1.00 0.00 H new ATOM 564 N GLN A 41 9.810 -1.203 -3.033 1.00 0.00 N ATOM 565 CA GLN A 41 8.426 -1.258 -3.470 1.00 0.00 C ATOM 566 C GLN A 41 7.568 -0.907 -2.264 1.00 0.00 C ATOM 567 O GLN A 41 7.643 -1.598 -1.248 1.00 0.00 O ATOM 568 CB GLN A 41 8.075 -2.671 -3.937 1.00 0.00 C ATOM 569 CG GLN A 41 8.972 -3.114 -5.090 1.00 0.00 C ATOM 570 CD GLN A 41 8.539 -4.448 -5.680 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.482 -4.986 -5.347 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.375 -4.975 -6.566 1.00 0.00 N ATOM 0 H GLN A 41 10.115 -2.043 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 41 8.259 -0.569 -4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.179 -3.367 -3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.032 -2.703 -4.252 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.959 -2.353 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.001 -3.192 -4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.238 -4.487 -6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.154 -5.868 -7.007 1.00 0.00 H new ATOM 581 N HIS A 42 6.753 0.142 -2.352 1.00 0.00 N ATOM 582 CA HIS A 42 5.756 0.438 -1.334 1.00 0.00 C ATOM 583 C HIS A 42 4.731 1.414 -1.915 1.00 0.00 C ATOM 584 O HIS A 42 4.996 2.005 -2.964 1.00 0.00 O ATOM 585 CB HIS A 42 6.413 0.911 -0.016 1.00 0.00 C ATOM 586 CG HIS A 42 7.730 1.645 -0.140 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.048 2.563 -1.117 1.00 0.00 N ATOM 588 CD2 HIS A 42 8.853 1.430 0.614 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.344 2.892 -0.977 1.00 0.00 C ATOM 590 NE2 HIS A 42 9.852 2.221 0.074 1.00 0.00 N ATOM 0 H HIS A 42 6.767 0.805 -3.127 1.00 0.00 H new ATOM 0 HA HIS A 42 5.218 -0.468 -1.056 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.708 1.562 0.502 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.568 0.039 0.619 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.411 2.929 -1.824 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.942 0.771 1.465 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.889 3.582 -1.605 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.811 2.285 0.415 1.00 0.00 H new ATOM 599 N CYS A 43 3.576 1.569 -1.256 1.00 0.00 N ATOM 600 CA CYS A 43 2.465 2.410 -1.689 1.00 0.00 C ATOM 601 C CYS A 43 2.970 3.803 -2.101 1.00 0.00 C ATOM 602 O CYS A 43 2.541 4.363 -3.108 1.00 0.00 O ATOM 603 CB CYS A 43 1.396 2.480 -0.623 1.00 0.00 C ATOM 604 SG CYS A 43 0.617 0.870 -0.251 1.00 0.00 S ATOM 0 H CYS A 43 3.388 1.092 -0.374 1.00 0.00 H new ATOM 0 HA CYS A 43 2.006 1.960 -2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.834 2.881 0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.625 3.181 -0.941 1.00 0.00 H new ATOM 609 N ALA A 44 3.935 4.342 -1.346 1.00 0.00 N ATOM 610 CA ALA A 44 4.652 5.581 -1.642 1.00 0.00 C ATOM 611 C ALA A 44 4.932 5.763 -3.137 1.00 0.00 C ATOM 612 O ALA A 44 4.707 6.841 -3.683 1.00 0.00 O ATOM 613 CB ALA A 44 5.979 5.602 -0.875 1.00 0.00 C ATOM 0 H ALA A 44 4.248 3.907 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 44 4.010 6.404 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.513 6.526 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.781 5.545 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.588 4.750 -1.178 1.00 0.00 H new ATOM 619 N ASN A 45 5.448 4.714 -3.787 1.00 0.00 N ATOM 620 CA ASN A 45 5.809 4.707 -5.200 1.00 0.00 C ATOM 621 C ASN A 45 4.991 3.656 -5.946 1.00 0.00 C ATOM 622 O ASN A 45 5.518 2.961 -6.819 1.00 0.00 O ATOM 623 CB ASN A 45 7.326 4.523 -5.382 1.00 0.00 C ATOM 624 CG ASN A 45 7.887 3.225 -4.799 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.484 2.774 -3.729 1.00 0.00 O ATOM 626 ND2 ASN A 45 8.876 2.637 -5.460 1.00 0.00 N ATOM 0 H ASN A 45 5.629 3.822 -3.326 1.00 0.00 H new ATOM 0 HA ASN A 45 5.565 5.676 -5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.557 4.557 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.839 5.365 -4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.314 1.797 -5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.198 3.025 -6.347 1.00 0.00 H new ATOM 633 N CYS A 46 3.691 3.594 -5.639 1.00 0.00 N ATOM 634 CA CYS A 46 2.731 2.718 -6.290 1.00 0.00 C ATOM 635 C CYS A 46 1.923 3.450 -7.372 1.00 0.00 C ATOM 636 O CYS A 46 1.521 4.614 -7.223 1.00 0.00 O ATOM 637 CB CYS A 46 1.846 2.131 -5.232 1.00 0.00 C ATOM 638 SG CYS A 46 0.636 1.022 -5.953 1.00 0.00 S ATOM 0 H CYS A 46 3.273 4.171 -4.909 1.00 0.00 H new ATOM 0 HA CYS A 46 3.260 1.920 -6.811 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.452 1.591 -4.504 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.337 2.930 -4.693 1.00 0.00 H new ATOM 643 N GLN A 47 1.720 2.759 -8.493 1.00 0.00 N ATOM 644 CA GLN A 47 0.895 3.195 -9.606 1.00 0.00 C ATOM 645 C GLN A 47 -0.499 3.597 -9.110 1.00 0.00 C ATOM 646 O GLN A 47 -1.085 2.935 -8.256 1.00 0.00 O ATOM 647 CB GLN A 47 0.841 2.049 -10.629 1.00 0.00 C ATOM 648 CG GLN A 47 0.431 2.506 -12.029 1.00 0.00 C ATOM 649 CD GLN A 47 1.590 3.129 -12.793 1.00 0.00 C ATOM 650 OE1 GLN A 47 1.877 4.308 -12.638 1.00 0.00 O ATOM 651 NE2 GLN A 47 2.277 2.347 -13.620 1.00 0.00 N ATOM 0 H GLN A 47 2.145 1.845 -8.651 1.00 0.00 H new ATOM 0 HA GLN A 47 1.319 4.078 -10.084 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.820 1.573 -10.682 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.137 1.293 -10.281 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.045 1.654 -12.589 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.380 3.229 -11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.016 1.367 -13.730 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.065 2.727 -14.144 1.00 0.00 H new ATOM 660 N PHE A 48 -1.025 4.716 -9.606 1.00 0.00 N ATOM 661 CA PHE A 48 -2.382 5.197 -9.365 1.00 0.00 C ATOM 662 C PHE A 48 -2.559 5.839 -7.985 1.00 0.00 C ATOM 663 O PHE A 48 -3.360 6.759 -7.863 1.00 0.00 O ATOM 664 CB PHE A 48 -3.437 4.108 -9.614 1.00 0.00 C ATOM 665 CG PHE A 48 -3.227 3.279 -10.869 1.00 0.00 C ATOM 666 CD1 PHE A 48 -3.346 3.877 -12.137 1.00 0.00 C ATOM 667 CD2 PHE A 48 -2.909 1.911 -10.768 1.00 0.00 C ATOM 668 CE1 PHE A 48 -3.161 3.108 -13.298 1.00 0.00 C ATOM 669 CE2 PHE A 48 -2.730 1.141 -11.930 1.00 0.00 C ATOM 670 CZ PHE A 48 -2.860 1.738 -13.196 1.00 0.00 C ATOM 0 H PHE A 48 -0.492 5.339 -10.213 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.545 5.988 -10.097 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.455 3.438 -8.754 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.418 4.581 -9.670 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.580 4.928 -12.218 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.802 1.453 -9.796 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.250 3.570 -14.270 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.493 0.090 -11.850 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.729 1.145 -14.089 1.00 0.00 H new ATOM 680 N MET A 49 -1.841 5.362 -6.958 1.00 0.00 N ATOM 681 CA MET A 49 -1.891 5.862 -5.582 1.00 0.00 C ATOM 682 C MET A 49 -1.975 7.395 -5.534 1.00 0.00 C ATOM 683 O MET A 49 -1.197 8.069 -6.214 1.00 0.00 O ATOM 684 CB MET A 49 -0.668 5.327 -4.823 1.00 0.00 C ATOM 685 CG MET A 49 -0.727 5.561 -3.306 1.00 0.00 C ATOM 686 SD MET A 49 -0.420 7.249 -2.719 1.00 0.00 S ATOM 687 CE MET A 49 1.340 7.450 -3.065 1.00 0.00 C ATOM 0 H MET A 49 -1.186 4.588 -7.070 1.00 0.00 H new ATOM 0 HA MET A 49 -2.799 5.501 -5.098 1.00 0.00 H new ATOM 0 HB2 MET A 49 -0.574 4.258 -5.013 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.230 5.801 -5.219 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.712 5.254 -2.954 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.000 4.901 -2.833 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.649 8.462 -2.803 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.911 6.732 -2.476 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.524 7.278 -4.125 1.00 0.00 H new ATOM 697 N GLN A 50 -2.927 7.921 -4.755 1.00 0.00 N ATOM 698 CA GLN A 50 -3.320 9.322 -4.738 1.00 0.00 C ATOM 699 C GLN A 50 -2.842 9.944 -3.427 1.00 0.00 C ATOM 700 O GLN A 50 -3.236 9.501 -2.344 1.00 0.00 O ATOM 701 CB GLN A 50 -4.847 9.415 -4.814 1.00 0.00 C ATOM 702 CG GLN A 50 -5.447 8.679 -6.021 1.00 0.00 C ATOM 703 CD GLN A 50 -6.903 8.317 -5.776 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.798 8.725 -6.510 1.00 0.00 O ATOM 705 NE2 GLN A 50 -7.151 7.518 -4.741 1.00 0.00 N ATOM 0 H GLN A 50 -3.461 7.355 -4.096 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.880 9.848 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.274 9.004 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.137 10.465 -4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.370 9.307 -6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.873 7.774 -6.220 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.384 7.196 -4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.108 7.227 -4.539 1.00 0.00 H new ATOM 714 N ALA A 51 -2.000 10.975 -3.517 1.00 0.00 N ATOM 715 CA ALA A 51 -1.539 11.715 -2.352 1.00 0.00 C ATOM 716 C ALA A 51 -2.469 12.872 -1.995 1.00 0.00 C ATOM 717 O ALA A 51 -2.569 13.257 -0.833 1.00 0.00 O ATOM 718 CB ALA A 51 -0.100 12.181 -2.540 1.00 0.00 C ATOM 0 H ALA A 51 -1.622 11.316 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.561 11.032 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.222 12.732 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.547 11.316 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.039 12.829 -3.414 1.00 0.00 H new ATOM 724 N ASP A 52 -3.153 13.395 -3.009 1.00 0.00 N ATOM 725 CA ASP A 52 -4.185 14.417 -2.952 1.00 0.00 C ATOM 726 C ASP A 52 -5.461 13.924 -2.260 1.00 0.00 C ATOM 727 O ASP A 52 -6.306 14.741 -1.900 1.00 0.00 O ATOM 728 CB ASP A 52 -4.503 14.817 -4.400 1.00 0.00 C ATOM 729 CG ASP A 52 -4.913 13.605 -5.231 1.00 0.00 C ATOM 730 OD1 ASP A 52 -4.034 12.721 -5.387 1.00 0.00 O ATOM 731 OD2 ASP A 52 -6.087 13.560 -5.648 1.00 0.00 O ATOM 0 H ASP A 52 -2.983 13.088 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.821 15.261 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.305 15.555 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.630 15.290 -4.849 1.00 0.00 H new ATOM 736 N ALA A 53 -5.614 12.604 -2.091 1.00 0.00 N ATOM 737 CA ALA A 53 -6.801 11.987 -1.512 1.00 0.00 C ATOM 738 C ALA A 53 -7.271 12.711 -0.247 1.00 0.00 C ATOM 739 O ALA A 53 -6.517 12.843 0.717 1.00 0.00 O ATOM 740 CB ALA A 53 -6.514 10.516 -1.203 1.00 0.00 C ATOM 0 H ALA A 53 -4.899 11.928 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.606 12.063 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.402 10.055 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.247 9.996 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.688 10.447 -0.495 1.00 0.00 H new ATOM 746 N ALA A 54 -8.529 13.163 -0.242 1.00 0.00 N ATOM 747 CA ALA A 54 -9.124 13.816 0.911 1.00 0.00 C ATOM 748 C ALA A 54 -8.964 12.933 2.151 1.00 0.00 C ATOM 749 O ALA A 54 -9.338 11.763 2.132 1.00 0.00 O ATOM 750 CB ALA A 54 -10.602 14.110 0.641 1.00 0.00 C ATOM 0 H ALA A 54 -9.157 13.083 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.613 14.761 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.040 14.600 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.690 14.764 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.129 13.176 0.446 1.00 0.00 H new ATOM 756 N GLY A 55 -8.388 13.493 3.216 1.00 0.00 N ATOM 757 CA GLY A 55 -8.120 12.769 4.448 1.00 0.00 C ATOM 758 C GLY A 55 -6.699 12.208 4.507 1.00 0.00 C ATOM 759 O GLY A 55 -6.306 11.696 5.553 1.00 0.00 O ATOM 0 H GLY A 55 -8.094 14.469 3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.279 13.434 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.833 11.951 4.546 1.00 0.00 H new ATOM 763 N ALA A 56 -5.913 12.304 3.425 1.00 0.00 N ATOM 764 CA ALA A 56 -4.508 11.930 3.475 1.00 0.00 C ATOM 765 C ALA A 56 -3.796 12.743 4.558 1.00 0.00 C ATOM 766 O ALA A 56 -4.007 13.950 4.668 1.00 0.00 O ATOM 767 CB ALA A 56 -3.828 12.133 2.114 1.00 0.00 C ATOM 0 H ALA A 56 -6.231 12.636 2.515 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.442 10.870 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.779 11.845 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.324 11.517 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.897 13.182 1.826 1.00 0.00 H new ATOM 773 N THR A 57 -2.961 12.079 5.353 1.00 0.00 N ATOM 774 CA THR A 57 -2.127 12.701 6.369 1.00 0.00 C ATOM 775 C THR A 57 -0.689 12.690 5.864 1.00 0.00 C ATOM 776 O THR A 57 -0.443 12.439 4.684 1.00 0.00 O ATOM 777 CB THR A 57 -2.250 11.915 7.680 1.00 0.00 C ATOM 778 OG1 THR A 57 -1.652 10.651 7.504 1.00 0.00 O ATOM 779 CG2 THR A 57 -3.709 11.736 8.114 1.00 0.00 C ATOM 0 H THR A 57 -2.845 11.067 5.304 1.00 0.00 H new ATOM 0 HA THR A 57 -2.441 13.727 6.559 1.00 0.00 H new ATOM 0 HB THR A 57 -1.746 12.479 8.465 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.980 10.507 8.203 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.745 11.174 9.047 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.167 12.714 8.262 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.254 11.193 7.342 1.00 0.00 H new ATOM 787 N ASP A 58 0.279 12.898 6.754 1.00 0.00 N ATOM 788 CA ASP A 58 1.685 12.652 6.512 1.00 0.00 C ATOM 789 C ASP A 58 1.885 11.239 5.956 1.00 0.00 C ATOM 790 O ASP A 58 2.385 11.086 4.835 1.00 0.00 O ATOM 791 CB ASP A 58 2.463 12.839 7.824 1.00 0.00 C ATOM 792 CG ASP A 58 2.117 14.147 8.526 1.00 0.00 C ATOM 793 OD1 ASP A 58 0.936 14.256 8.937 1.00 0.00 O ATOM 794 OD2 ASP A 58 3.016 15.008 8.615 1.00 0.00 O ATOM 0 H ASP A 58 0.092 13.254 7.691 1.00 0.00 H new ATOM 0 HA ASP A 58 2.060 13.360 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.249 12.004 8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.533 12.814 7.615 1.00 0.00 H new ATOM 799 N GLU A 59 1.480 10.212 6.712 1.00 0.00 N ATOM 800 CA GLU A 59 1.870 8.843 6.482 1.00 0.00 C ATOM 801 C GLU A 59 0.815 8.144 5.641 1.00 0.00 C ATOM 802 O GLU A 59 1.113 7.142 4.996 1.00 0.00 O ATOM 803 CB GLU A 59 2.033 8.099 7.819 1.00 0.00 C ATOM 804 CG GLU A 59 2.292 8.948 9.074 1.00 0.00 C ATOM 805 CD GLU A 59 0.988 9.373 9.730 1.00 0.00 C ATOM 806 OE1 GLU A 59 0.329 10.276 9.171 1.00 0.00 O ATOM 807 OE2 GLU A 59 0.617 8.741 10.743 1.00 0.00 O ATOM 0 H GLU A 59 0.860 10.327 7.514 1.00 0.00 H new ATOM 0 HA GLU A 59 2.824 8.836 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.131 7.512 7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.857 7.394 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.891 8.378 9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.872 9.831 8.805 1.00 0.00 H new ATOM 814 N TRP A 60 -0.427 8.630 5.703 1.00 0.00 N ATOM 815 CA TRP A 60 -1.568 7.896 5.209 1.00 0.00 C ATOM 816 C TRP A 60 -2.108 8.538 3.936 1.00 0.00 C ATOM 817 O TRP A 60 -2.378 9.736 3.938 1.00 0.00 O ATOM 818 CB TRP A 60 -2.601 7.828 6.319 1.00 0.00 C ATOM 819 CG TRP A 60 -2.177 7.049 7.523 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.616 7.568 8.633 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.280 5.615 7.768 1.00 0.00 C ATOM 822 NE1 TRP A 60 -1.322 6.566 9.524 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.749 5.341 9.062 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.809 4.523 7.051 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.764 4.060 9.627 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.788 3.223 7.588 1.00 0.00 C ATOM 827 CH2 TRP A 60 -2.325 3.001 8.897 1.00 0.00 C ATOM 0 H TRP A 60 -0.657 9.542 6.098 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.287 6.879 4.935 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.848 8.843 6.629 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.514 7.385 5.920 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.426 8.618 8.797 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.847 6.710 10.415 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.237 4.687 6.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.350 3.890 10.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.130 2.390 6.991 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.401 2.019 9.339 1.00 0.00 H new ATOM 838 N LYS A 61 -2.217 7.763 2.851 1.00 0.00 N ATOM 839 CA LYS A 61 -2.568 8.238 1.511 1.00 0.00 C ATOM 840 C LYS A 61 -3.597 7.308 0.841 1.00 0.00 C ATOM 841 O LYS A 61 -3.917 6.248 1.374 1.00 0.00 O ATOM 842 CB LYS A 61 -1.295 8.371 0.655 1.00 0.00 C ATOM 843 CG LYS A 61 -0.735 9.795 0.565 1.00 0.00 C ATOM 844 CD LYS A 61 0.132 10.248 1.743 1.00 0.00 C ATOM 845 CE LYS A 61 0.469 11.736 1.598 1.00 0.00 C ATOM 846 NZ LYS A 61 1.312 12.226 2.707 1.00 0.00 N ATOM 0 H LYS A 61 -2.058 6.756 2.884 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.033 9.220 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.526 7.717 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.511 8.015 -0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.145 9.876 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.571 10.488 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.395 10.075 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.049 9.660 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.985 11.900 0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.454 12.314 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.021 12.891 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.716 12.710 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.794 11.422 3.158 1.00 0.00 H new ATOM 860 N GLY A 62 -4.140 7.710 -0.315 1.00 0.00 N ATOM 861 CA GLY A 62 -5.306 7.076 -0.922 1.00 0.00 C ATOM 862 C GLY A 62 -4.938 6.124 -2.056 1.00 0.00 C ATOM 863 O GLY A 62 -4.876 6.536 -3.217 1.00 0.00 O ATOM 0 H GLY A 62 -3.775 8.493 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.855 6.527 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.976 7.847 -1.304 1.00 0.00 H new ATOM 867 N CYS A 63 -4.753 4.841 -1.736 1.00 0.00 N ATOM 868 CA CYS A 63 -4.650 3.778 -2.728 1.00 0.00 C ATOM 869 C CYS A 63 -5.878 3.821 -3.644 1.00 0.00 C ATOM 870 O CYS A 63 -7.010 3.665 -3.188 1.00 0.00 O ATOM 871 CB CYS A 63 -4.547 2.444 -2.039 1.00 0.00 C ATOM 872 SG CYS A 63 -4.494 1.130 -3.273 1.00 0.00 S ATOM 0 H CYS A 63 -4.670 4.513 -0.774 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.754 3.922 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.651 2.411 -1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.399 2.299 -1.375 1.00 0.00 H new ATOM 877 N GLN A 64 -5.667 4.056 -4.941 1.00 0.00 N ATOM 878 CA GLN A 64 -6.752 4.260 -5.893 1.00 0.00 C ATOM 879 C GLN A 64 -7.667 3.039 -5.975 1.00 0.00 C ATOM 880 O GLN A 64 -8.861 3.175 -6.240 1.00 0.00 O ATOM 881 CB GLN A 64 -6.156 4.648 -7.252 1.00 0.00 C ATOM 882 CG GLN A 64 -7.183 5.218 -8.242 1.00 0.00 C ATOM 883 CD GLN A 64 -7.609 4.203 -9.300 1.00 0.00 C ATOM 884 OE1 GLN A 64 -7.072 4.194 -10.402 1.00 0.00 O ATOM 885 NE2 GLN A 64 -8.569 3.341 -8.987 1.00 0.00 N ATOM 0 H GLN A 64 -4.737 4.110 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.388 5.077 -5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.369 5.386 -7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.686 3.770 -7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.062 5.555 -7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.760 6.094 -8.734 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.999 3.370 -8.063 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.876 2.649 -9.671 1.00 0.00 H new ATOM 894 N LEU A 65 -7.118 1.844 -5.743 1.00 0.00 N ATOM 895 CA LEU A 65 -7.875 0.600 -5.762 1.00 0.00 C ATOM 896 C LEU A 65 -8.740 0.446 -4.499 1.00 0.00 C ATOM 897 O LEU A 65 -9.550 -0.474 -4.420 1.00 0.00 O ATOM 898 CB LEU A 65 -6.875 -0.560 -5.912 1.00 0.00 C ATOM 899 CG LEU A 65 -7.485 -1.900 -6.364 1.00 0.00 C ATOM 900 CD1 LEU A 65 -8.012 -1.834 -7.804 1.00 0.00 C ATOM 901 CD2 LEU A 65 -6.411 -2.990 -6.276 1.00 0.00 C ATOM 0 H LEU A 65 -6.127 1.717 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.569 0.600 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.109 -0.267 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.374 -0.712 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.326 -2.125 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.433 -2.800 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.784 -1.068 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.193 -1.587 -8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.833 -3.943 -6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.574 -2.729 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.061 -3.074 -5.247 1.00 0.00 H new ATOM 913 N PHE A 66 -8.559 1.315 -3.497 1.00 0.00 N ATOM 914 CA PHE A 66 -9.008 1.102 -2.125 1.00 0.00 C ATOM 915 C PHE A 66 -9.923 2.264 -1.709 1.00 0.00 C ATOM 916 O PHE A 66 -9.506 3.150 -0.967 1.00 0.00 O ATOM 917 CB PHE A 66 -7.741 0.982 -1.253 1.00 0.00 C ATOM 918 CG PHE A 66 -7.660 -0.194 -0.305 1.00 0.00 C ATOM 919 CD1 PHE A 66 -8.754 -0.564 0.500 1.00 0.00 C ATOM 920 CD2 PHE A 66 -6.444 -0.894 -0.204 1.00 0.00 C ATOM 921 CE1 PHE A 66 -8.645 -1.670 1.361 1.00 0.00 C ATOM 922 CE2 PHE A 66 -6.343 -2.007 0.643 1.00 0.00 C ATOM 923 CZ PHE A 66 -7.452 -2.415 1.401 1.00 0.00 C ATOM 0 H PHE A 66 -8.083 2.208 -3.627 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.597 0.192 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.877 0.940 -1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.648 1.896 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.674 -0.000 0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.588 -0.574 -0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.477 -1.948 1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.412 -2.550 0.712 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.389 -3.301 2.015 1.00 0.00 H new ATOM 933 N PRO A 67 -11.172 2.309 -2.199 1.00 0.00 N ATOM 934 CA PRO A 67 -12.013 3.486 -2.068 1.00 0.00 C ATOM 935 C PRO A 67 -12.338 3.796 -0.607 1.00 0.00 C ATOM 936 O PRO A 67 -12.524 2.894 0.209 1.00 0.00 O ATOM 937 CB PRO A 67 -13.274 3.204 -2.889 1.00 0.00 C ATOM 938 CG PRO A 67 -13.317 1.678 -2.988 1.00 0.00 C ATOM 939 CD PRO A 67 -11.843 1.273 -2.967 1.00 0.00 C ATOM 0 HA PRO A 67 -11.500 4.374 -2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -14.165 3.598 -2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -13.221 3.667 -3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.865 1.238 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.810 1.350 -3.903 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.711 0.294 -2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.438 1.208 -3.977 1.00 0.00 H new ATOM 947 N GLY A 68 -12.371 5.090 -0.270 1.00 0.00 N ATOM 948 CA GLY A 68 -12.711 5.605 1.054 1.00 0.00 C ATOM 949 C GLY A 68 -11.563 5.447 2.052 1.00 0.00 C ATOM 950 O GLY A 68 -11.299 6.337 2.861 1.00 0.00 O ATOM 0 H GLY A 68 -12.154 5.830 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.977 6.659 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.590 5.082 1.430 1.00 0.00 H new ATOM 954 N LYS A 69 -10.907 4.290 2.022 1.00 0.00 N ATOM 955 CA LYS A 69 -9.862 3.933 2.962 1.00 0.00 C ATOM 956 C LYS A 69 -8.555 4.643 2.575 1.00 0.00 C ATOM 957 O LYS A 69 -8.436 5.204 1.487 1.00 0.00 O ATOM 958 CB LYS A 69 -9.683 2.408 2.969 1.00 0.00 C ATOM 959 CG LYS A 69 -10.993 1.661 3.288 1.00 0.00 C ATOM 960 CD LYS A 69 -11.054 1.191 4.748 1.00 0.00 C ATOM 961 CE LYS A 69 -10.362 -0.172 4.878 1.00 0.00 C ATOM 962 NZ LYS A 69 -10.246 -0.625 6.276 1.00 0.00 N ATOM 0 H LYS A 69 -11.094 3.565 1.329 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.138 4.253 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.312 2.085 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.926 2.138 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.841 2.315 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.088 0.800 2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.568 1.920 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.092 1.116 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.920 -0.913 4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.367 -0.112 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.232 -1.665 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.366 -0.255 6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.059 -0.275 6.823 1.00 0.00 H new ATOM 976 N LEU A 70 -7.565 4.602 3.465 1.00 0.00 N ATOM 977 CA LEU A 70 -6.233 5.154 3.269 1.00 0.00 C ATOM 978 C LEU A 70 -5.213 4.068 3.597 1.00 0.00 C ATOM 979 O LEU A 70 -5.292 3.446 4.658 1.00 0.00 O ATOM 980 CB LEU A 70 -6.014 6.351 4.205 1.00 0.00 C ATOM 981 CG LEU A 70 -6.927 7.552 3.916 1.00 0.00 C ATOM 982 CD1 LEU A 70 -6.901 8.493 5.123 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.493 8.320 2.664 1.00 0.00 C ATOM 0 H LEU A 70 -7.678 4.164 4.379 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.121 5.489 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.173 6.027 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.975 6.672 4.129 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.934 7.176 3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.546 9.350 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.257 7.962 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.881 8.837 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.168 9.160 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.477 8.692 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.524 7.656 1.800 1.00 0.00 H new ATOM 995 N ILE A 71 -4.250 3.848 2.702 1.00 0.00 N ATOM 996 CA ILE A 71 -3.085 3.029 2.993 1.00 0.00 C ATOM 997 C ILE A 71 -2.059 3.882 3.718 1.00 0.00 C ATOM 998 O ILE A 71 -2.186 5.104 3.757 1.00 0.00 O ATOM 999 CB ILE A 71 -2.499 2.415 1.710 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -2.220 3.393 0.550 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.471 1.333 1.232 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -1.141 4.449 0.788 1.00 0.00 C ATOM 0 H ILE A 71 -4.260 4.234 1.758 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.378 2.196 3.632 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.516 2.031 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.938 2.810 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.150 3.906 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.086 0.875 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.576 0.571 2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.444 1.781 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.040 5.073 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.422 5.071 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.191 3.958 0.996 1.00 0.00 H new ATOM 1014 N ASN A 72 -1.032 3.244 4.272 1.00 0.00 N ATOM 1015 CA ASN A 72 0.159 3.941 4.718 1.00 0.00 C ATOM 1016 C ASN A 72 1.154 3.907 3.566 1.00 0.00 C ATOM 1017 O ASN A 72 1.341 2.844 2.983 1.00 0.00 O ATOM 1018 CB ASN A 72 0.734 3.224 5.937 1.00 0.00 C ATOM 1019 CG ASN A 72 1.763 4.076 6.666 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.797 4.439 6.106 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.482 4.392 7.928 1.00 0.00 N ATOM 0 H ASN A 72 -1.006 2.235 4.422 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.062 4.971 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.074 2.967 6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.195 2.288 5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.136 4.957 8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.613 4.070 8.353 1.00 0.00 H new ATOM 1028 N VAL A 73 1.797 5.029 3.235 1.00 0.00 N ATOM 1029 CA VAL A 73 2.796 5.100 2.163 1.00 0.00 C ATOM 1030 C VAL A 73 3.828 3.983 2.271 1.00 0.00 C ATOM 1031 O VAL A 73 4.319 3.458 1.274 1.00 0.00 O ATOM 1032 CB VAL A 73 3.520 6.456 2.183 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.519 7.568 1.931 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.289 6.753 3.481 1.00 0.00 C ATOM 0 H VAL A 73 1.639 5.920 3.705 1.00 0.00 H new ATOM 0 HA VAL A 73 2.257 4.983 1.223 1.00 0.00 H new ATOM 0 HB VAL A 73 4.269 6.404 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.032 8.530 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.050 7.421 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.755 7.553 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.768 7.729 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.596 6.753 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.049 5.987 3.637 1.00 0.00 H new ATOM 1044 N ASN A 74 4.178 3.657 3.509 1.00 0.00 N ATOM 1045 CA ASN A 74 5.193 2.658 3.818 1.00 0.00 C ATOM 1046 C ASN A 74 4.703 1.222 3.609 1.00 0.00 C ATOM 1047 O ASN A 74 5.492 0.297 3.799 1.00 0.00 O ATOM 1048 CB ASN A 74 5.625 2.824 5.279 1.00 0.00 C ATOM 1049 CG ASN A 74 6.281 4.165 5.550 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.422 4.410 5.171 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.543 5.040 6.214 1.00 0.00 N ATOM 0 H ASN A 74 3.760 4.084 4.336 1.00 0.00 H new ATOM 0 HA ASN A 74 6.025 2.821 3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.754 2.714 5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.319 2.026 5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.918 5.963 6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.599 4.791 6.509 1.00 0.00 H new ATOM 1058 N GLY A 75 3.434 1.011 3.253 1.00 0.00 N ATOM 1059 CA GLY A 75 2.873 -0.313 3.037 1.00 0.00 C ATOM 1060 C GLY A 75 3.187 -0.826 1.639 1.00 0.00 C ATOM 1061 O GLY A 75 3.876 -0.161 0.873 1.00 0.00 O ATOM 0 H GLY A 75 2.765 1.766 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.272 -1.005 3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.793 -0.280 3.181 1.00 0.00 H new ATOM 1065 N TRP A 76 2.713 -2.026 1.311 1.00 0.00 N ATOM 1066 CA TRP A 76 2.840 -2.647 -0.003 1.00 0.00 C ATOM 1067 C TRP A 76 1.639 -3.568 -0.144 1.00 0.00 C ATOM 1068 O TRP A 76 1.178 -4.050 0.889 1.00 0.00 O ATOM 1069 CB TRP A 76 4.140 -3.466 -0.060 1.00 0.00 C ATOM 1070 CG TRP A 76 4.417 -4.255 -1.310 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.286 -3.886 -2.274 1.00 0.00 C ATOM 1072 CD2 TRP A 76 3.963 -5.595 -1.693 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.423 -4.888 -3.212 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.618 -5.965 -2.908 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.127 -6.566 -1.102 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.447 -7.223 -3.504 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 2.975 -7.844 -1.672 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.640 -8.177 -2.865 1.00 0.00 C ATOM 0 H TRP A 76 2.212 -2.613 1.978 1.00 0.00 H new ATOM 0 HA TRP A 76 2.873 -1.907 -0.803 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.974 -2.782 0.096 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.136 -4.160 0.780 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.802 -2.938 -2.307 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.039 -4.839 -4.024 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.593 -6.324 -0.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.930 -7.454 -4.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.343 -8.574 -1.189 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.530 -9.164 -3.289 1.00 0.00 H new ATOM 1089 N CYS A 77 1.174 -3.821 -1.375 1.00 0.00 N ATOM 1090 CA CYS A 77 0.269 -4.913 -1.720 1.00 0.00 C ATOM 1091 C CYS A 77 0.738 -5.559 -3.028 1.00 0.00 C ATOM 1092 O CYS A 77 1.571 -4.992 -3.738 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.168 -4.453 -1.817 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.503 -3.696 -3.428 1.00 0.00 S ATOM 0 H CYS A 77 1.429 -3.249 -2.180 1.00 0.00 H new ATOM 0 HA CYS A 77 0.298 -5.653 -0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.836 -5.301 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.378 -3.735 -1.024 1.00 0.00 H new ATOM 1099 N ALA A 78 0.203 -6.740 -3.354 1.00 0.00 N ATOM 1100 CA ALA A 78 0.566 -7.480 -4.555 1.00 0.00 C ATOM 1101 C ALA A 78 0.378 -6.632 -5.814 1.00 0.00 C ATOM 1102 O ALA A 78 1.210 -6.662 -6.727 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.256 -8.768 -4.628 1.00 0.00 C ATOM 0 H ALA A 78 -0.500 -7.209 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 78 1.624 -7.736 -4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.015 -9.322 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.053 -9.380 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.317 -8.521 -4.660 1.00 0.00 H new ATOM 1109 N SER A 79 -0.724 -5.879 -5.861 1.00 0.00 N ATOM 1110 CA SER A 79 -1.101 -5.031 -6.977 1.00 0.00 C ATOM 1111 C SER A 79 0.001 -4.036 -7.348 1.00 0.00 C ATOM 1112 O SER A 79 0.179 -3.780 -8.541 1.00 0.00 O ATOM 1113 CB SER A 79 -2.412 -4.303 -6.657 1.00 0.00 C ATOM 1114 OG SER A 79 -3.226 -5.107 -5.821 1.00 0.00 O ATOM 0 H SER A 79 -1.396 -5.847 -5.094 1.00 0.00 H new ATOM 0 HA SER A 79 -1.249 -5.671 -7.847 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.199 -3.354 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.943 -4.072 -7.580 1.00 0.00 H new ATOM 0 HG SER A 79 -3.075 -4.862 -4.884 1.00 0.00 H new ATOM 1120 N TRP A 80 0.753 -3.540 -6.350 1.00 0.00 N ATOM 1121 CA TRP A 80 1.769 -2.485 -6.438 1.00 0.00 C ATOM 1122 C TRP A 80 1.885 -1.838 -7.825 1.00 0.00 C ATOM 1123 O TRP A 80 1.013 -1.069 -8.211 1.00 0.00 O ATOM 1124 CB TRP A 80 3.112 -2.961 -5.853 1.00 0.00 C ATOM 1125 CG TRP A 80 4.191 -1.919 -5.829 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.146 -0.778 -5.107 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.422 -1.845 -6.611 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.228 0.017 -5.417 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.045 -0.588 -6.351 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.059 -2.701 -7.537 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.231 -0.197 -6.993 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.251 -2.320 -8.181 1.00 0.00 C ATOM 1133 CH2 TRP A 80 7.837 -1.071 -7.912 1.00 0.00 C ATOM 0 H TRP A 80 0.658 -3.892 -5.397 1.00 0.00 H new ATOM 0 HA TRP A 80 1.424 -1.664 -5.810 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.944 -3.314 -4.836 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.463 -3.814 -6.433 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.376 -0.526 -4.393 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.403 0.935 -5.009 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.623 -3.665 -7.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.673 0.766 -6.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.718 -2.991 -8.886 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.751 -0.783 -8.410 1.00 0.00 H new ATOM 1144 N THR A 81 2.920 -2.198 -8.595 1.00 0.00 N ATOM 1145 CA THR A 81 3.260 -1.595 -9.880 1.00 0.00 C ATOM 1146 C THR A 81 3.963 -0.248 -9.658 1.00 0.00 C ATOM 1147 O THR A 81 3.466 0.609 -8.933 1.00 0.00 O ATOM 1148 CB THR A 81 2.036 -1.515 -10.812 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.401 -2.785 -10.820 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.404 -1.109 -12.240 1.00 0.00 C ATOM 0 H THR A 81 3.563 -2.943 -8.327 1.00 0.00 H new ATOM 0 HA THR A 81 3.969 -2.237 -10.403 1.00 0.00 H new ATOM 0 HB THR A 81 1.368 -0.742 -10.432 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.915 -2.913 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.502 -1.069 -12.851 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.878 -0.128 -12.229 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.094 -1.841 -12.660 1.00 0.00 H new ATOM 1158 N LEU A 82 5.143 -0.083 -10.263 1.00 0.00 N ATOM 1159 CA LEU A 82 5.982 1.101 -10.118 1.00 0.00 C ATOM 1160 C LEU A 82 5.222 2.343 -10.593 1.00 0.00 C ATOM 1161 O LEU A 82 4.750 2.383 -11.728 1.00 0.00 O ATOM 1162 CB LEU A 82 7.274 0.888 -10.926 1.00 0.00 C ATOM 1163 CG LEU A 82 8.487 1.743 -10.510 1.00 0.00 C ATOM 1164 CD1 LEU A 82 9.599 1.511 -11.536 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.219 3.248 -10.430 1.00 0.00 C ATOM 0 H LEU A 82 5.547 -0.787 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 82 6.242 1.257 -9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.554 -0.163 -10.852 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.058 1.088 -11.976 1.00 0.00 H new ATOM 0 HG LEU A 82 8.755 1.428 -9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.472 2.105 -11.267 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.868 0.455 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.249 1.808 -12.525 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.131 3.764 -10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.899 3.613 -11.406 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.436 3.440 -9.697 1.00 0.00 H new ATOM 1177 N LYS A 83 5.110 3.353 -9.730 1.00 0.00 N ATOM 1178 CA LYS A 83 4.474 4.618 -10.056 1.00 0.00 C ATOM 1179 C LYS A 83 5.130 5.339 -11.238 1.00 0.00 C ATOM 1180 O LYS A 83 6.196 5.934 -11.094 1.00 0.00 O ATOM 1181 CB LYS A 83 4.486 5.504 -8.803 1.00 0.00 C ATOM 1182 CG LYS A 83 3.498 6.665 -8.894 1.00 0.00 C ATOM 1183 CD LYS A 83 3.263 7.275 -7.503 1.00 0.00 C ATOM 1184 CE LYS A 83 1.939 8.046 -7.413 1.00 0.00 C ATOM 1185 NZ LYS A 83 0.780 7.226 -7.828 1.00 0.00 N ATOM 0 H LYS A 83 5.465 3.309 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 83 3.451 4.411 -10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.247 4.896 -7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.491 5.898 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.883 7.427 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.553 6.316 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.268 6.481 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.087 7.946 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.790 8.389 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.996 8.935 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.044 7.466 -7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.560 7.416 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.008 6.218 -7.710 1.00 0.00 H new ATOM 1199 N ALA A 84 4.429 5.365 -12.373 1.00 0.00 N ATOM 1200 CA ALA A 84 4.579 6.355 -13.432 1.00 0.00 C ATOM 1201 C ALA A 84 3.282 7.172 -13.553 1.00 0.00 C ATOM 1202 O ALA A 84 2.959 7.682 -14.623 1.00 0.00 O ATOM 1203 CB ALA A 84 4.931 5.642 -14.742 1.00 0.00 C ATOM 0 H ALA A 84 3.714 4.668 -12.584 1.00 0.00 H new ATOM 0 HA ALA A 84 5.388 7.047 -13.198 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.044 6.378 -15.538 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.865 5.094 -14.618 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.134 4.946 -15.003 1.00 0.00 H new ATOM 1209 N GLY A 85 2.543 7.288 -12.447 1.00 0.00 N ATOM 1210 CA GLY A 85 1.261 7.957 -12.349 1.00 0.00 C ATOM 1211 C GLY A 85 0.786 7.781 -10.912 1.00 0.00 C ATOM 1212 O GLY A 85 0.728 8.767 -10.153 1.00 0.00 O ATOM 1213 OXT GLY A 85 0.593 6.626 -10.479 1.00 0.00 O ATOM 0 H GLY A 85 2.845 6.895 -11.556 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.355 9.014 -12.599 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.545 7.527 -13.049 1.00 0.00 H new TER 1217 GLY A 85 HETATM 1218 FE1 SF4 A 86 -0.422 0.278 -1.922 1.00 0.00 FE HETATM 1219 FE2 SF4 A 86 -0.400 0.351 -4.396 1.00 0.00 FE HETATM 1220 FE3 SF4 A 86 -2.580 0.412 -3.216 1.00 0.00 FE HETATM 1221 FE4 SF4 A 86 -1.262 -1.682 -3.249 1.00 0.00 FE HETATM 1222 S1 SF4 A 86 -2.152 -0.746 -4.969 1.00 0.00 S HETATM 1223 S2 SF4 A 86 -2.223 -0.876 -1.507 1.00 0.00 S HETATM 1224 S3 SF4 A 86 0.789 -1.000 -3.178 1.00 0.00 S HETATM 1225 S4 SF4 A 86 -1.075 1.957 -3.120 1.00 0.00 S