USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 934 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 76 ASN : amide:sc= -0.132 K(o=0.74,f=-3.7!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -112:sc= 0.872 (180deg=0.355) USER MOD Set 2.1: A 44 ASN : amide:sc= 0.938 K(o=0.94,f=-0.51) USER MOD Set 2.2: A 48 ASN : amide:sc= 0 X(o=0.94,f=0.65) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.132) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.18 (180deg=1) USER MOD Single : A 13 GLN : amide:sc= 0.515 K(o=0.52,f=-0.52) USER MOD Single : A 14 GLN : amide:sc= -0.0733 K(o=-0.073,f=-0.65) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 71:sc= 1.15 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0277 F(o=-1.4,f=-0.028) USER MOD Single : A 31 MET CE :methyl -155:sc= 0 (180deg=-0.871) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 35 ASN : amide:sc= -0.0065 K(o=-0.0065,f=-2!) USER MOD Single : A 38 GLN : amide:sc= -1.26! C(o=-1.3!,f=-6.6!) USER MOD Single : A 39 CYS SG : rot 180:sc= -2.78! USER MOD Single : A 45 ASN : amide:sc= -0.279! C(o=-0.28!,f=-4!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 86:sc= 1.22 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -75:sc= 0.644 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 1.34 K(o=1.3,f=-9.3!) USER MOD Single : A 86 SER OG : rot -120:sc= -1.28 USER MOD Single : A 88 ASN : amide:sc= -0.0501 X(o=-0.05,f=-0.32) USER MOD Single : A 89 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.23) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 163:sc= -0.0407 (180deg=-0.331) USER MOD Single : A 104 HIS : no HE2:sc= 0.319 K(o=0.32,f=-2.5!) USER MOD Single : A 105 GLN :FLIP amide:sc=-0.00393 F(o=-0.92,f=-0.0039) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -28:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.280 17.028 8.377 1.00 0.00 N ATOM 2 CA LYS A 1 2.119 15.989 9.417 1.00 0.00 C ATOM 3 C LYS A 1 2.104 14.587 8.808 1.00 0.00 C ATOM 4 O LYS A 1 2.780 13.685 9.298 1.00 0.00 O ATOM 5 CB LYS A 1 0.847 16.232 10.239 1.00 0.00 C ATOM 6 CG LYS A 1 0.532 15.130 11.241 1.00 0.00 C ATOM 7 CD LYS A 1 -0.715 15.445 12.050 1.00 0.00 C ATOM 8 CE LYS A 1 -1.192 14.227 12.828 1.00 0.00 C ATOM 9 NZ LYS A 1 -0.109 13.630 13.654 1.00 0.00 N ATOM 0 H1 LYS A 1 2.286 17.968 8.823 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.177 16.878 7.873 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.490 16.970 7.703 1.00 0.00 H new ATOM 0 HA LYS A 1 2.979 16.055 10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.948 17.176 10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 1 0.003 16.341 9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.394 14.187 10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 1 1.379 14.998 11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.506 16.262 12.741 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.507 15.786 11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.023 14.512 13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.571 13.479 12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -0.513 12.915 14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 0.595 13.182 13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 0.350 14.375 14.216 1.00 0.00 H new ATOM 25 N VAL A 2 1.341 14.403 7.734 1.00 0.00 N ATOM 26 CA VAL A 2 1.243 13.094 7.089 1.00 0.00 C ATOM 27 C VAL A 2 2.315 12.895 6.021 1.00 0.00 C ATOM 28 O VAL A 2 2.385 11.833 5.405 1.00 0.00 O ATOM 29 CB VAL A 2 -0.153 12.852 6.470 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.225 12.841 7.550 1.00 0.00 C ATOM 31 CG2 VAL A 2 -0.466 13.896 5.406 1.00 0.00 C ATOM 0 H VAL A 2 0.785 15.136 7.294 1.00 0.00 H new ATOM 0 HA VAL A 2 1.404 12.363 7.881 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.145 11.874 5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.200 12.669 7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.014 12.045 8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.231 13.801 8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.453 13.703 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.450 14.889 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.281 13.844 4.614 1.00 0.00 H new ATOM 41 N LYS A 3 3.169 13.905 5.846 1.00 0.00 N ATOM 42 CA LYS A 3 4.241 13.873 4.847 1.00 0.00 C ATOM 43 C LYS A 3 3.707 13.794 3.417 1.00 0.00 C ATOM 44 O LYS A 3 2.498 13.721 3.197 1.00 0.00 O ATOM 45 CB LYS A 3 5.239 12.745 5.121 1.00 0.00 C ATOM 46 CG LYS A 3 6.008 12.902 6.419 1.00 0.00 C ATOM 47 CD LYS A 3 6.273 11.554 7.061 1.00 0.00 C ATOM 48 CE LYS A 3 6.911 11.712 8.427 1.00 0.00 C ATOM 49 NZ LYS A 3 6.908 10.439 9.187 1.00 0.00 N ATOM 0 H LYS A 3 3.138 14.767 6.391 1.00 0.00 H new ATOM 0 HA LYS A 3 4.771 14.821 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.703 11.796 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.948 12.693 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.953 13.409 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.443 13.531 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.337 11.003 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.926 10.964 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.936 12.063 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.375 12.474 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.353 10.588 10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.928 10.116 9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.441 9.719 8.659 1.00 0.00 H new ATOM 63 N PHE A 4 4.630 13.860 2.456 1.00 0.00 N ATOM 64 CA PHE A 4 4.307 13.790 1.033 1.00 0.00 C ATOM 65 C PHE A 4 3.380 14.915 0.575 1.00 0.00 C ATOM 66 O PHE A 4 2.947 15.750 1.371 1.00 0.00 O ATOM 67 CB PHE A 4 3.744 12.423 0.640 1.00 0.00 C ATOM 68 CG PHE A 4 4.288 11.892 -0.656 1.00 0.00 C ATOM 69 CD1 PHE A 4 5.384 12.485 -1.264 1.00 0.00 C ATOM 70 CD2 PHE A 4 3.704 10.798 -1.266 1.00 0.00 C ATOM 71 CE1 PHE A 4 5.887 11.996 -2.454 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.202 10.304 -2.455 1.00 0.00 C ATOM 73 CZ PHE A 4 5.294 10.903 -3.051 1.00 0.00 C ATOM 0 H PHE A 4 5.627 13.964 2.646 1.00 0.00 H new ATOM 0 HA PHE A 4 5.253 13.927 0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.962 11.709 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.659 12.495 0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.851 13.341 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.849 10.324 -0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.742 12.468 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.737 9.447 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.683 10.517 -3.982 1.00 0.00 H new ATOM 83 N THR A 5 3.110 14.934 -0.725 1.00 0.00 N ATOM 84 CA THR A 5 2.247 15.928 -1.342 1.00 0.00 C ATOM 85 C THR A 5 2.361 15.790 -2.860 1.00 0.00 C ATOM 86 O THR A 5 3.212 15.038 -3.344 1.00 0.00 O ATOM 87 CB THR A 5 2.615 17.369 -0.905 1.00 0.00 C ATOM 88 OG1 THR A 5 1.540 18.265 -1.204 1.00 0.00 O ATOM 89 CG2 THR A 5 3.887 17.856 -1.584 1.00 0.00 C ATOM 0 H THR A 5 3.488 14.253 -1.384 1.00 0.00 H new ATOM 0 HA THR A 5 1.222 15.752 -1.017 1.00 0.00 H new ATOM 0 HB THR A 5 2.790 17.350 0.171 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.782 19.172 -0.922 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.112 18.870 -1.252 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.715 17.197 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.747 17.851 -2.665 1.00 0.00 H new ATOM 97 N GLU A 6 1.522 16.504 -3.605 1.00 0.00 N ATOM 98 CA GLU A 6 1.547 16.434 -5.064 1.00 0.00 C ATOM 99 C GLU A 6 2.879 16.919 -5.632 1.00 0.00 C ATOM 100 O GLU A 6 3.440 16.293 -6.529 1.00 0.00 O ATOM 101 CB GLU A 6 0.390 17.224 -5.673 1.00 0.00 C ATOM 102 CG GLU A 6 -0.961 16.542 -5.542 1.00 0.00 C ATOM 103 CD GLU A 6 -2.092 17.392 -6.082 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.208 17.512 -7.320 1.00 0.00 O ATOM 105 OE2 GLU A 6 -2.864 17.948 -5.273 1.00 0.00 O ATOM 0 H GLU A 6 0.818 17.136 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 6 1.431 15.385 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.340 18.202 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.597 17.396 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.938 15.591 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.150 16.315 -4.493 1.00 0.00 H new ATOM 112 N GLU A 7 3.382 18.023 -5.093 1.00 0.00 N ATOM 113 CA GLU A 7 4.648 18.597 -5.548 1.00 0.00 C ATOM 114 C GLU A 7 5.792 17.589 -5.451 1.00 0.00 C ATOM 115 O GLU A 7 6.614 17.483 -6.364 1.00 0.00 O ATOM 116 CB GLU A 7 4.986 19.851 -4.744 1.00 0.00 C ATOM 117 CG GLU A 7 3.916 20.928 -4.790 1.00 0.00 C ATOM 118 CD GLU A 7 4.365 22.221 -4.143 1.00 0.00 C ATOM 119 OE1 GLU A 7 5.027 23.034 -4.826 1.00 0.00 O ATOM 120 OE2 GLU A 7 4.057 22.435 -2.952 1.00 0.00 O ATOM 0 H GLU A 7 2.933 18.542 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 7 4.526 18.866 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.156 19.568 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.921 20.268 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.644 21.120 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.019 20.566 -4.287 1.00 0.00 H new ATOM 127 N GLU A 8 5.834 16.850 -4.350 1.00 0.00 N ATOM 128 CA GLU A 8 6.879 15.857 -4.139 1.00 0.00 C ATOM 129 C GLU A 8 6.646 14.614 -4.991 1.00 0.00 C ATOM 130 O GLU A 8 7.598 13.978 -5.443 1.00 0.00 O ATOM 131 CB GLU A 8 6.977 15.476 -2.662 1.00 0.00 C ATOM 132 CG GLU A 8 8.106 16.165 -1.913 1.00 0.00 C ATOM 133 CD GLU A 8 7.910 17.662 -1.795 1.00 0.00 C ATOM 134 OE1 GLU A 8 7.067 18.092 -0.986 1.00 0.00 O ATOM 135 OE2 GLU A 8 8.609 18.419 -2.499 1.00 0.00 O ATOM 0 H GLU A 8 5.157 16.919 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 8 7.823 16.306 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.033 15.716 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.111 14.397 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.188 15.735 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.048 15.967 -2.424 1.00 0.00 H new ATOM 142 N ASP A 9 5.377 14.280 -5.212 1.00 0.00 N ATOM 143 CA ASP A 9 5.014 13.113 -6.014 1.00 0.00 C ATOM 144 C ASP A 9 5.476 13.293 -7.456 1.00 0.00 C ATOM 145 O ASP A 9 5.958 12.356 -8.093 1.00 0.00 O ATOM 146 CB ASP A 9 3.501 12.885 -5.961 1.00 0.00 C ATOM 147 CG ASP A 9 3.033 11.770 -6.874 1.00 0.00 C ATOM 148 OD1 ASP A 9 3.210 10.587 -6.520 1.00 0.00 O ATOM 149 OD2 ASP A 9 2.448 12.076 -7.934 1.00 0.00 O ATOM 0 H ASP A 9 4.581 14.802 -4.846 1.00 0.00 H new ATOM 0 HA ASP A 9 5.513 12.237 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.211 12.653 -4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.991 13.809 -6.235 1.00 0.00 H new ATOM 154 N LEU A 10 5.341 14.515 -7.960 1.00 0.00 N ATOM 155 CA LEU A 10 5.766 14.834 -9.317 1.00 0.00 C ATOM 156 C LEU A 10 7.279 14.687 -9.438 1.00 0.00 C ATOM 157 O LEU A 10 7.796 14.271 -10.475 1.00 0.00 O ATOM 158 CB LEU A 10 5.337 16.255 -9.693 1.00 0.00 C ATOM 159 CG LEU A 10 3.831 16.534 -9.674 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.564 18.010 -9.914 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.111 15.682 -10.709 1.00 0.00 C ATOM 0 H LEU A 10 4.940 15.301 -7.448 1.00 0.00 H new ATOM 0 HA LEU A 10 5.288 14.138 -10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.823 16.952 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.713 16.473 -10.692 1.00 0.00 H new ATOM 0 HG LEU A 10 3.444 16.268 -8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.490 18.193 -9.898 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.044 18.598 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.967 18.299 -10.885 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.043 15.897 -10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.498 15.911 -11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.276 14.627 -10.490 1.00 0.00 H new ATOM 173 N LYS A 11 7.983 15.032 -8.362 1.00 0.00 N ATOM 174 CA LYS A 11 9.435 14.920 -8.329 1.00 0.00 C ATOM 175 C LYS A 11 9.849 13.457 -8.332 1.00 0.00 C ATOM 176 O LYS A 11 10.889 13.099 -8.879 1.00 0.00 O ATOM 177 CB LYS A 11 10.006 15.613 -7.089 1.00 0.00 C ATOM 178 CG LYS A 11 9.798 17.117 -7.060 1.00 0.00 C ATOM 179 CD LYS A 11 10.181 17.700 -5.709 1.00 0.00 C ATOM 180 CE LYS A 11 9.815 19.171 -5.628 1.00 0.00 C ATOM 181 NZ LYS A 11 10.042 19.729 -4.271 1.00 0.00 N ATOM 0 H LYS A 11 7.569 15.391 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 11 9.833 15.410 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.548 15.178 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.074 15.405 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.395 17.584 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.754 17.346 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.674 17.151 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.252 17.579 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.405 19.731 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.768 19.299 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.179 20.758 -4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.217 19.527 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.889 19.293 -3.854 1.00 0.00 H new ATOM 195 N LEU A 12 9.016 12.616 -7.726 1.00 0.00 N ATOM 196 CA LEU A 12 9.277 11.185 -7.654 1.00 0.00 C ATOM 197 C LEU A 12 9.478 10.604 -9.050 1.00 0.00 C ATOM 198 O LEU A 12 10.447 9.892 -9.295 1.00 0.00 O ATOM 199 CB LEU A 12 8.134 10.471 -6.931 1.00 0.00 C ATOM 200 CG LEU A 12 8.295 8.964 -6.714 1.00 0.00 C ATOM 201 CD1 LEU A 12 9.441 8.677 -5.757 1.00 0.00 C ATOM 202 CD2 LEU A 12 7.001 8.361 -6.197 1.00 0.00 C ATOM 0 H LEU A 12 8.148 12.906 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 12 10.194 11.029 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.999 10.943 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.217 10.638 -7.496 1.00 0.00 H new ATOM 0 HG LEU A 12 8.531 8.503 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.537 7.600 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.368 9.074 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.240 9.151 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.133 7.289 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.735 8.829 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.205 8.531 -6.922 1.00 0.00 H new ATOM 214 N GLN A 13 8.563 10.930 -9.960 1.00 0.00 N ATOM 215 CA GLN A 13 8.642 10.459 -11.343 1.00 0.00 C ATOM 216 C GLN A 13 9.986 10.825 -11.976 1.00 0.00 C ATOM 217 O GLN A 13 10.579 10.034 -12.712 1.00 0.00 O ATOM 218 CB GLN A 13 7.491 11.047 -12.167 1.00 0.00 C ATOM 219 CG GLN A 13 7.531 10.703 -13.649 1.00 0.00 C ATOM 220 CD GLN A 13 7.340 9.223 -13.914 1.00 0.00 C ATOM 221 OE1 GLN A 13 6.218 8.752 -14.080 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.434 8.480 -13.965 1.00 0.00 N ATOM 0 H GLN A 13 7.755 11.521 -9.765 1.00 0.00 H new ATOM 0 HA GLN A 13 8.557 9.372 -11.336 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.547 10.694 -11.751 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.502 12.132 -12.059 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.754 11.264 -14.168 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.487 11.022 -14.066 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.349 8.908 -13.822 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.363 7.479 -14.148 1.00 0.00 H new ATOM 231 N GLN A 14 10.468 12.018 -11.659 1.00 0.00 N ATOM 232 CA GLN A 14 11.738 12.497 -12.189 1.00 0.00 C ATOM 233 C GLN A 14 12.899 11.755 -11.538 1.00 0.00 C ATOM 234 O GLN A 14 13.850 11.344 -12.205 1.00 0.00 O ATOM 235 CB GLN A 14 11.879 13.999 -11.943 1.00 0.00 C ATOM 236 CG GLN A 14 10.857 14.846 -12.682 1.00 0.00 C ATOM 237 CD GLN A 14 10.990 14.729 -14.186 1.00 0.00 C ATOM 238 OE1 GLN A 14 12.083 14.519 -14.713 1.00 0.00 O ATOM 239 NE2 GLN A 14 9.878 14.865 -14.888 1.00 0.00 N ATOM 0 H GLN A 14 9.998 12.674 -11.036 1.00 0.00 H new ATOM 0 HA GLN A 14 11.758 12.309 -13.262 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.790 14.191 -10.874 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.879 14.313 -12.241 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.854 14.542 -12.384 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.974 15.889 -12.390 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.993 15.038 -14.412 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.906 14.797 -15.905 1.00 0.00 H new ATOM 248 N LEU A 15 12.802 11.577 -10.231 1.00 0.00 N ATOM 249 CA LEU A 15 13.829 10.891 -9.461 1.00 0.00 C ATOM 250 C LEU A 15 13.958 9.427 -9.876 1.00 0.00 C ATOM 251 O LEU A 15 15.065 8.928 -10.056 1.00 0.00 O ATOM 252 CB LEU A 15 13.543 11.008 -7.962 1.00 0.00 C ATOM 253 CG LEU A 15 14.181 12.197 -7.230 1.00 0.00 C ATOM 254 CD1 LEU A 15 13.972 13.498 -7.991 1.00 0.00 C ATOM 255 CD2 LEU A 15 13.625 12.313 -5.821 1.00 0.00 C ATOM 0 H LEU A 15 12.012 11.903 -9.674 1.00 0.00 H new ATOM 0 HA LEU A 15 14.782 11.376 -9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.463 11.063 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.879 10.091 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 15 15.254 12.014 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.437 14.318 -7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.425 13.418 -8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.904 13.691 -8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.088 13.161 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.546 12.462 -5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.842 11.399 -5.268 1.00 0.00 H new ATOM 267 N VAL A 16 12.823 8.752 -10.042 1.00 0.00 N ATOM 268 CA VAL A 16 12.814 7.344 -10.446 1.00 0.00 C ATOM 269 C VAL A 16 13.443 7.188 -11.826 1.00 0.00 C ATOM 270 O VAL A 16 14.193 6.251 -12.079 1.00 0.00 O ATOM 271 CB VAL A 16 11.377 6.767 -10.472 1.00 0.00 C ATOM 272 CG1 VAL A 16 11.371 5.331 -10.981 1.00 0.00 C ATOM 273 CG2 VAL A 16 10.752 6.835 -9.091 1.00 0.00 C ATOM 0 H VAL A 16 11.896 9.155 -9.904 1.00 0.00 H new ATOM 0 HA VAL A 16 13.395 6.789 -9.709 1.00 0.00 H new ATOM 0 HB VAL A 16 10.785 7.374 -11.157 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.349 4.952 -10.988 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.776 5.302 -11.992 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.983 4.711 -10.327 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.743 6.425 -9.128 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.353 6.255 -8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.711 7.873 -8.761 1.00 0.00 H new ATOM 283 N MET A 17 13.147 8.130 -12.706 1.00 0.00 N ATOM 284 CA MET A 17 13.672 8.110 -14.064 1.00 0.00 C ATOM 285 C MET A 17 15.193 8.282 -14.081 1.00 0.00 C ATOM 286 O MET A 17 15.893 7.651 -14.876 1.00 0.00 O ATOM 287 CB MET A 17 13.003 9.217 -14.886 1.00 0.00 C ATOM 288 CG MET A 17 13.543 9.388 -16.294 1.00 0.00 C ATOM 289 SD MET A 17 12.713 10.718 -17.187 1.00 0.00 S ATOM 290 CE MET A 17 13.683 10.769 -18.691 1.00 0.00 C ATOM 0 H MET A 17 12.541 8.925 -12.503 1.00 0.00 H new ATOM 0 HA MET A 17 13.447 7.139 -14.505 1.00 0.00 H new ATOM 0 HB2 MET A 17 11.935 9.009 -14.946 1.00 0.00 H new ATOM 0 HB3 MET A 17 13.114 10.162 -14.353 1.00 0.00 H new ATOM 0 HG2 MET A 17 14.612 9.596 -16.248 1.00 0.00 H new ATOM 0 HG3 MET A 17 13.423 8.454 -16.843 1.00 0.00 H new ATOM 0 HE1 MET A 17 13.293 11.545 -19.350 1.00 0.00 H new ATOM 0 HE2 MET A 17 14.722 10.990 -18.446 1.00 0.00 H new ATOM 0 HE3 MET A 17 13.626 9.804 -19.194 1.00 0.00 H new ATOM 300 N ARG A 18 15.696 9.130 -13.195 1.00 0.00 N ATOM 301 CA ARG A 18 17.126 9.407 -13.120 1.00 0.00 C ATOM 302 C ARG A 18 17.906 8.397 -12.271 1.00 0.00 C ATOM 303 O ARG A 18 18.969 7.928 -12.681 1.00 0.00 O ATOM 304 CB ARG A 18 17.358 10.832 -12.604 1.00 0.00 C ATOM 305 CG ARG A 18 16.990 11.921 -13.602 1.00 0.00 C ATOM 306 CD ARG A 18 16.616 13.224 -12.905 1.00 0.00 C ATOM 307 NE ARG A 18 17.644 13.667 -11.962 1.00 0.00 N ATOM 308 CZ ARG A 18 17.394 14.399 -10.874 1.00 0.00 C ATOM 309 NH1 ARG A 18 16.163 14.830 -10.625 1.00 0.00 N ATOM 310 NH2 ARG A 18 18.381 14.725 -10.049 1.00 0.00 N ATOM 0 H ARG A 18 15.133 9.641 -12.515 1.00 0.00 H new ATOM 0 HA ARG A 18 17.513 9.310 -14.134 1.00 0.00 H new ATOM 0 HB2 ARG A 18 16.776 10.977 -11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.408 10.942 -12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.830 12.096 -14.275 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.155 11.584 -14.216 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.455 14.000 -13.653 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.673 13.092 -12.375 1.00 0.00 H new ATOM 0 HE ARG A 18 18.611 13.400 -12.148 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.403 14.602 -11.266 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.977 15.389 -9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.333 14.416 -10.246 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.188 15.284 -9.218 1.00 0.00 H new ATOM 324 N TYR A 19 17.379 8.056 -11.103 1.00 0.00 N ATOM 325 CA TYR A 19 18.063 7.135 -10.197 1.00 0.00 C ATOM 326 C TYR A 19 17.790 5.664 -10.504 1.00 0.00 C ATOM 327 O TYR A 19 18.671 4.820 -10.336 1.00 0.00 O ATOM 328 CB TYR A 19 17.727 7.460 -8.738 1.00 0.00 C ATOM 329 CG TYR A 19 18.049 8.886 -8.339 1.00 0.00 C ATOM 330 CD1 TYR A 19 19.228 9.497 -8.748 1.00 0.00 C ATOM 331 CD2 TYR A 19 17.172 9.623 -7.554 1.00 0.00 C ATOM 332 CE1 TYR A 19 19.523 10.799 -8.386 1.00 0.00 C ATOM 333 CE2 TYR A 19 17.459 10.925 -7.186 1.00 0.00 C ATOM 334 CZ TYR A 19 18.636 11.509 -7.605 1.00 0.00 C ATOM 335 OH TYR A 19 18.928 12.807 -7.244 1.00 0.00 O ATOM 0 H TYR A 19 16.483 8.400 -10.759 1.00 0.00 H new ATOM 0 HA TYR A 19 19.131 7.284 -10.359 1.00 0.00 H new ATOM 0 HB2 TYR A 19 16.666 7.276 -8.570 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.275 6.778 -8.088 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.927 8.945 -9.360 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.248 9.171 -7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 19 20.444 11.257 -8.714 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.765 11.481 -6.574 1.00 0.00 H new ATOM 0 HH TYR A 19 18.200 13.166 -6.695 1.00 0.00 H new ATOM 345 N GLY A 20 16.584 5.357 -10.951 1.00 0.00 N ATOM 346 CA GLY A 20 16.242 3.983 -11.265 1.00 0.00 C ATOM 347 C GLY A 20 15.138 3.448 -10.379 1.00 0.00 C ATOM 348 O GLY A 20 14.458 4.211 -9.695 1.00 0.00 O ATOM 0 H GLY A 20 15.835 6.032 -11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.931 3.918 -12.308 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.127 3.357 -11.156 1.00 0.00 H new ATOM 352 N ALA A 21 14.975 2.132 -10.370 1.00 0.00 N ATOM 353 CA ALA A 21 13.932 1.496 -9.575 1.00 0.00 C ATOM 354 C ALA A 21 14.515 0.661 -8.440 1.00 0.00 C ATOM 355 O ALA A 21 13.867 -0.253 -7.928 1.00 0.00 O ATOM 356 CB ALA A 21 13.039 0.643 -10.463 1.00 0.00 C ATOM 0 H ALA A 21 15.552 1.483 -10.905 1.00 0.00 H new ATOM 0 HA ALA A 21 13.332 2.286 -9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.264 0.174 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.574 1.272 -11.223 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.638 -0.128 -10.947 1.00 0.00 H new ATOM 362 N LYS A 22 15.726 0.999 -8.027 1.00 0.00 N ATOM 363 CA LYS A 22 16.384 0.274 -6.941 1.00 0.00 C ATOM 364 C LYS A 22 17.232 1.200 -6.075 1.00 0.00 C ATOM 365 O LYS A 22 17.349 0.996 -4.866 1.00 0.00 O ATOM 366 CB LYS A 22 17.216 -0.898 -7.461 1.00 0.00 C ATOM 367 CG LYS A 22 17.540 -1.945 -6.403 1.00 0.00 C ATOM 368 CD LYS A 22 16.288 -2.692 -5.962 1.00 0.00 C ATOM 369 CE LYS A 22 16.187 -2.783 -4.445 1.00 0.00 C ATOM 370 NZ LYS A 22 17.247 -3.646 -3.858 1.00 0.00 N ATOM 0 H LYS A 22 16.274 1.764 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 22 15.592 -0.135 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.678 -1.377 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 22 18.148 -0.513 -7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 22 18.268 -2.653 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 22 18.001 -1.463 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.406 -2.186 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.296 -3.696 -6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.259 -1.783 -4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.208 -3.177 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.137 -3.677 -2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.164 -4.608 -4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.182 -3.257 -4.095 1.00 0.00 H new ATOM 384 N ASP A 23 17.809 2.226 -6.690 1.00 0.00 N ATOM 385 CA ASP A 23 18.640 3.186 -5.966 1.00 0.00 C ATOM 386 C ASP A 23 17.766 4.200 -5.221 1.00 0.00 C ATOM 387 O ASP A 23 17.963 5.411 -5.321 1.00 0.00 O ATOM 388 CB ASP A 23 19.595 3.899 -6.933 1.00 0.00 C ATOM 389 CG ASP A 23 20.758 4.582 -6.234 1.00 0.00 C ATOM 390 OD1 ASP A 23 21.237 4.054 -5.210 1.00 0.00 O ATOM 391 OD2 ASP A 23 21.211 5.644 -6.717 1.00 0.00 O ATOM 0 H ASP A 23 17.718 2.416 -7.688 1.00 0.00 H new ATOM 0 HA ASP A 23 19.235 2.645 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.985 3.175 -7.648 1.00 0.00 H new ATOM 0 HB3 ASP A 23 19.036 4.641 -7.503 1.00 0.00 H new ATOM 396 N TRP A 24 16.801 3.686 -4.458 1.00 0.00 N ATOM 397 CA TRP A 24 15.878 4.523 -3.697 1.00 0.00 C ATOM 398 C TRP A 24 16.585 5.232 -2.553 1.00 0.00 C ATOM 399 O TRP A 24 16.064 6.199 -1.992 1.00 0.00 O ATOM 400 CB TRP A 24 14.703 3.696 -3.170 1.00 0.00 C ATOM 401 CG TRP A 24 13.921 3.020 -4.253 1.00 0.00 C ATOM 402 CD1 TRP A 24 14.069 1.738 -4.689 1.00 0.00 C ATOM 403 CD2 TRP A 24 12.871 3.592 -5.041 1.00 0.00 C ATOM 404 NE1 TRP A 24 13.185 1.478 -5.705 1.00 0.00 N ATOM 405 CE2 TRP A 24 12.436 2.599 -5.940 1.00 0.00 C ATOM 406 CE3 TRP A 24 12.256 4.847 -5.074 1.00 0.00 C ATOM 407 CZ2 TRP A 24 11.417 2.821 -6.863 1.00 0.00 C ATOM 408 CZ3 TRP A 24 11.245 5.066 -5.990 1.00 0.00 C ATOM 409 CH2 TRP A 24 10.835 4.059 -6.871 1.00 0.00 C ATOM 0 H TRP A 24 16.639 2.685 -4.351 1.00 0.00 H new ATOM 0 HA TRP A 24 15.490 5.284 -4.374 1.00 0.00 H new ATOM 0 HB2 TRP A 24 15.080 2.942 -2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 24 14.037 4.345 -2.602 1.00 0.00 H new ATOM 0 HD1 TRP A 24 14.780 1.029 -4.292 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.100 0.593 -6.204 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.565 5.630 -4.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.099 2.047 -7.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.763 6.032 -6.027 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.041 4.264 -7.574 1.00 0.00 H new ATOM 420 N ILE A 25 17.782 4.760 -2.225 1.00 0.00 N ATOM 421 CA ILE A 25 18.568 5.359 -1.155 1.00 0.00 C ATOM 422 C ILE A 25 18.986 6.771 -1.553 1.00 0.00 C ATOM 423 O ILE A 25 19.183 7.639 -0.703 1.00 0.00 O ATOM 424 CB ILE A 25 19.805 4.514 -0.782 1.00 0.00 C ATOM 425 CG1 ILE A 25 20.357 3.776 -2.007 1.00 0.00 C ATOM 426 CG2 ILE A 25 19.458 3.536 0.331 1.00 0.00 C ATOM 427 CD1 ILE A 25 21.575 2.921 -1.717 1.00 0.00 C ATOM 0 H ILE A 25 18.228 3.966 -2.684 1.00 0.00 H new ATOM 0 HA ILE A 25 17.937 5.398 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 25 20.584 5.186 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.572 3.143 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.614 4.507 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.339 2.946 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.126 4.088 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 25 18.661 2.872 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.904 2.433 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 25 22.378 3.550 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 25 21.320 2.164 -0.975 1.00 0.00 H new ATOM 439 N ARG A 26 19.111 6.983 -2.860 1.00 0.00 N ATOM 440 CA ARG A 26 19.462 8.285 -3.403 1.00 0.00 C ATOM 441 C ARG A 26 18.350 9.281 -3.101 1.00 0.00 C ATOM 442 O ARG A 26 18.608 10.428 -2.735 1.00 0.00 O ATOM 443 CB ARG A 26 19.657 8.178 -4.917 1.00 0.00 C ATOM 444 CG ARG A 26 20.751 9.073 -5.482 1.00 0.00 C ATOM 445 CD ARG A 26 22.119 8.694 -4.938 1.00 0.00 C ATOM 446 NE ARG A 26 22.257 7.250 -4.764 1.00 0.00 N ATOM 447 CZ ARG A 26 22.963 6.680 -3.792 1.00 0.00 C ATOM 448 NH1 ARG A 26 23.658 7.424 -2.939 1.00 0.00 N ATOM 449 NH2 ARG A 26 22.977 5.364 -3.680 1.00 0.00 N ATOM 0 H ARG A 26 18.972 6.260 -3.566 1.00 0.00 H new ATOM 0 HA ARG A 26 20.390 8.627 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 26 19.888 7.143 -5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 26 18.716 8.423 -5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 26 20.758 8.999 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 26 20.536 10.113 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 26 22.892 9.053 -5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 26 22.280 9.192 -3.982 1.00 0.00 H new ATOM 0 HE ARG A 26 21.782 6.641 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.653 8.440 -3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.197 6.979 -2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 26 22.448 4.791 -4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 26 23.517 4.921 -2.936 1.00 0.00 H new ATOM 463 N ILE A 27 17.110 8.820 -3.227 1.00 0.00 N ATOM 464 CA ILE A 27 15.945 9.653 -2.967 1.00 0.00 C ATOM 465 C ILE A 27 15.787 9.851 -1.465 1.00 0.00 C ATOM 466 O ILE A 27 15.320 10.894 -1.002 1.00 0.00 O ATOM 467 CB ILE A 27 14.669 8.989 -3.536 1.00 0.00 C ATOM 468 CG1 ILE A 27 14.828 8.752 -5.042 1.00 0.00 C ATOM 469 CG2 ILE A 27 13.431 9.832 -3.248 1.00 0.00 C ATOM 470 CD1 ILE A 27 13.689 7.982 -5.672 1.00 0.00 C ATOM 0 H ILE A 27 16.887 7.866 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 27 16.087 10.618 -3.454 1.00 0.00 H new ATOM 0 HB ILE A 27 14.533 8.027 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.921 9.716 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 27 15.758 8.211 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.551 9.339 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.311 9.947 -2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.545 10.814 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.880 7.858 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.608 7.002 -5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.757 8.530 -5.531 1.00 0.00 H new ATOM 482 N SER A 28 16.226 8.854 -0.706 1.00 0.00 N ATOM 483 CA SER A 28 16.145 8.898 0.747 1.00 0.00 C ATOM 484 C SER A 28 17.084 9.959 1.324 1.00 0.00 C ATOM 485 O SER A 28 17.043 10.260 2.515 1.00 0.00 O ATOM 486 CB SER A 28 16.445 7.523 1.339 1.00 0.00 C ATOM 487 OG SER A 28 15.659 6.521 0.712 1.00 0.00 O ATOM 0 H SER A 28 16.644 8.001 -1.077 1.00 0.00 H new ATOM 0 HA SER A 28 15.127 9.177 1.021 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.503 7.292 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 28 16.244 7.532 2.410 1.00 0.00 H new ATOM 0 HG SER A 28 15.973 6.386 -0.207 1.00 0.00 H new ATOM 493 N GLN A 29 17.938 10.514 0.470 1.00 0.00 N ATOM 494 CA GLN A 29 18.865 11.559 0.886 1.00 0.00 C ATOM 495 C GLN A 29 18.160 12.909 0.840 1.00 0.00 C ATOM 496 O GLN A 29 18.555 13.862 1.511 1.00 0.00 O ATOM 497 CB GLN A 29 20.095 11.571 -0.021 1.00 0.00 C ATOM 498 CG GLN A 29 20.960 10.328 0.099 1.00 0.00 C ATOM 499 CD GLN A 29 22.112 10.312 -0.887 1.00 0.00 C ATOM 500 OE1 GLN A 29 21.889 10.850 -2.078 1.00 0.00 O flip ATOM 501 NE2 GLN A 29 23.194 9.808 -0.585 1.00 0.00 N flip ATOM 0 H GLN A 29 18.007 10.257 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 29 19.195 11.361 1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 29 19.770 11.677 -1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.700 12.447 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 29 21.355 10.263 1.113 1.00 0.00 H new ATOM 0 HG3 GLN A 29 20.341 9.445 -0.059 1.00 0.00 H new ATOM 0 HE21 GLN A 29 23.327 9.404 0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 29 23.957 9.795 -1.262 1.00 0.00 H new ATOM 510 N LEU A 30 17.111 12.977 0.032 1.00 0.00 N ATOM 511 CA LEU A 30 16.320 14.189 -0.108 1.00 0.00 C ATOM 512 C LEU A 30 15.114 14.094 0.817 1.00 0.00 C ATOM 513 O LEU A 30 14.627 15.092 1.346 1.00 0.00 O ATOM 514 CB LEU A 30 15.862 14.353 -1.560 1.00 0.00 C ATOM 515 CG LEU A 30 16.964 14.271 -2.623 1.00 0.00 C ATOM 516 CD1 LEU A 30 16.361 14.191 -4.016 1.00 0.00 C ATOM 517 CD2 LEU A 30 17.912 15.456 -2.516 1.00 0.00 C ATOM 0 H LEU A 30 16.787 12.198 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 30 16.922 15.057 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 30 15.119 13.585 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.362 15.317 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 30 17.538 13.362 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.160 14.134 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.733 13.303 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.757 15.079 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.684 15.374 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.355 16.382 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 30 18.377 15.462 -1.530 1.00 0.00 H new ATOM 529 N MET A 31 14.649 12.869 1.001 1.00 0.00 N ATOM 530 CA MET A 31 13.520 12.579 1.867 1.00 0.00 C ATOM 531 C MET A 31 13.932 11.470 2.828 1.00 0.00 C ATOM 532 O MET A 31 13.988 10.304 2.450 1.00 0.00 O ATOM 533 CB MET A 31 12.314 12.133 1.034 1.00 0.00 C ATOM 534 CG MET A 31 11.933 13.093 -0.085 1.00 0.00 C ATOM 535 SD MET A 31 10.702 12.402 -1.209 1.00 0.00 S ATOM 536 CE MET A 31 10.749 13.601 -2.538 1.00 0.00 C ATOM 0 H MET A 31 15.047 12.044 0.551 1.00 0.00 H new ATOM 0 HA MET A 31 13.236 13.472 2.423 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.528 11.156 0.601 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.457 12.007 1.696 1.00 0.00 H new ATOM 0 HG2 MET A 31 11.545 14.015 0.349 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.826 13.358 -0.650 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.797 13.593 -3.069 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.927 14.594 -2.126 1.00 0.00 H new ATOM 0 HE3 MET A 31 11.552 13.346 -3.230 1.00 0.00 H new ATOM 546 N ILE A 32 14.212 11.838 4.069 1.00 0.00 N ATOM 547 CA ILE A 32 14.668 10.871 5.063 1.00 0.00 C ATOM 548 C ILE A 32 13.571 10.542 6.073 1.00 0.00 C ATOM 549 O ILE A 32 13.653 9.553 6.805 1.00 0.00 O ATOM 550 CB ILE A 32 15.932 11.382 5.798 1.00 0.00 C ATOM 551 CG1 ILE A 32 16.621 10.256 6.575 1.00 0.00 C ATOM 552 CG2 ILE A 32 15.601 12.552 6.716 1.00 0.00 C ATOM 553 CD1 ILE A 32 17.288 9.220 5.696 1.00 0.00 C ATOM 0 H ILE A 32 14.133 12.795 4.414 1.00 0.00 H new ATOM 0 HA ILE A 32 14.921 9.956 4.527 1.00 0.00 H new ATOM 0 HB ILE A 32 16.629 11.737 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.369 10.691 7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.884 9.761 7.207 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.508 12.889 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.187 13.371 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.871 12.235 7.461 1.00 0.00 H new ATOM 0 HD11 ILE A 32 17.753 8.457 6.321 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.542 8.756 5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 32 18.050 9.700 5.082 1.00 0.00 H new ATOM 565 N THR A 33 12.529 11.355 6.079 1.00 0.00 N ATOM 566 CA THR A 33 11.418 11.184 6.999 1.00 0.00 C ATOM 567 C THR A 33 10.433 10.118 6.520 1.00 0.00 C ATOM 568 O THR A 33 9.307 10.040 7.007 1.00 0.00 O ATOM 569 CB THR A 33 10.675 12.518 7.149 1.00 0.00 C ATOM 570 OG1 THR A 33 10.985 13.337 6.009 1.00 0.00 O ATOM 571 CG2 THR A 33 11.111 13.233 8.418 1.00 0.00 C ATOM 0 H THR A 33 12.429 12.150 5.448 1.00 0.00 H new ATOM 0 HA THR A 33 11.828 10.858 7.955 1.00 0.00 H new ATOM 0 HB THR A 33 9.603 12.333 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.517 14.195 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.573 14.177 8.507 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.890 12.607 9.283 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.182 13.429 8.376 1.00 0.00 H new ATOM 579 N ARG A 34 10.854 9.301 5.565 1.00 0.00 N ATOM 580 CA ARG A 34 9.992 8.259 5.039 1.00 0.00 C ATOM 581 C ARG A 34 10.761 6.981 4.748 1.00 0.00 C ATOM 582 O ARG A 34 11.945 7.018 4.416 1.00 0.00 O ATOM 583 CB ARG A 34 9.292 8.737 3.764 1.00 0.00 C ATOM 584 CG ARG A 34 8.458 7.670 3.067 1.00 0.00 C ATOM 585 CD ARG A 34 8.281 7.985 1.594 1.00 0.00 C ATOM 586 NE ARG A 34 7.565 9.237 1.409 1.00 0.00 N ATOM 587 CZ ARG A 34 8.109 10.349 0.937 1.00 0.00 C ATOM 588 NH1 ARG A 34 9.356 10.344 0.486 1.00 0.00 N ATOM 589 NH2 ARG A 34 7.390 11.457 0.898 1.00 0.00 N ATOM 0 H ARG A 34 11.782 9.341 5.143 1.00 0.00 H new ATOM 0 HA ARG A 34 9.248 8.040 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.647 9.580 4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.045 9.105 3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.940 6.699 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.481 7.598 3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.257 8.046 1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.736 7.175 1.109 1.00 0.00 H new ATOM 0 HE ARG A 34 6.577 9.261 1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.900 9.482 0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.771 11.203 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.425 11.451 1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.800 12.318 0.536 1.00 0.00 H new ATOM 603 N ASN A 35 10.072 5.855 4.907 1.00 0.00 N ATOM 604 CA ASN A 35 10.621 4.544 4.627 1.00 0.00 C ATOM 605 C ASN A 35 10.946 4.479 3.137 1.00 0.00 C ATOM 606 O ASN A 35 10.061 4.696 2.309 1.00 0.00 O ATOM 607 CB ASN A 35 9.539 3.500 4.950 1.00 0.00 C ATOM 608 CG ASN A 35 10.041 2.274 5.693 1.00 0.00 C ATOM 609 OD1 ASN A 35 11.140 1.782 5.444 1.00 0.00 O ATOM 610 ND2 ASN A 35 9.219 1.769 6.609 1.00 0.00 N ATOM 0 H ASN A 35 9.107 5.833 5.238 1.00 0.00 H new ATOM 0 HA ASN A 35 11.517 4.355 5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.761 3.976 5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.074 3.178 4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.492 0.940 7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.316 2.210 6.783 1.00 0.00 H new ATOM 617 N PRO A 36 12.213 4.205 2.776 1.00 0.00 N ATOM 618 CA PRO A 36 12.653 4.133 1.372 1.00 0.00 C ATOM 619 C PRO A 36 11.728 3.292 0.492 1.00 0.00 C ATOM 620 O PRO A 36 11.454 3.647 -0.653 1.00 0.00 O ATOM 621 CB PRO A 36 14.027 3.474 1.474 1.00 0.00 C ATOM 622 CG PRO A 36 14.531 3.893 2.810 1.00 0.00 C ATOM 623 CD PRO A 36 13.328 3.961 3.710 1.00 0.00 C ATOM 0 HA PRO A 36 12.657 5.117 0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.956 2.389 1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.690 3.807 0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.262 3.180 3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.029 4.861 2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.190 3.034 4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.420 4.762 4.443 1.00 0.00 H new ATOM 631 N ARG A 37 11.235 2.190 1.045 1.00 0.00 N ATOM 632 CA ARG A 37 10.342 1.297 0.317 1.00 0.00 C ATOM 633 C ARG A 37 8.997 1.950 0.022 1.00 0.00 C ATOM 634 O ARG A 37 8.323 1.584 -0.937 1.00 0.00 O ATOM 635 CB ARG A 37 10.133 0.003 1.100 1.00 0.00 C ATOM 636 CG ARG A 37 11.025 -1.140 0.652 1.00 0.00 C ATOM 637 CD ARG A 37 11.530 -1.934 1.842 1.00 0.00 C ATOM 638 NE ARG A 37 12.934 -1.647 2.135 1.00 0.00 N ATOM 639 CZ ARG A 37 13.342 -0.909 3.160 1.00 0.00 C ATOM 640 NH1 ARG A 37 12.453 -0.392 4.002 1.00 0.00 N ATOM 641 NH2 ARG A 37 14.636 -0.691 3.349 1.00 0.00 N ATOM 0 H ARG A 37 11.440 1.893 1.999 1.00 0.00 H new ATOM 0 HA ARG A 37 10.817 1.071 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.312 0.197 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.091 -0.303 1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.471 -1.797 -0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.870 -0.747 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.922 -1.703 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.411 -2.999 1.644 1.00 0.00 H new ATOM 0 HE ARG A 37 13.643 -2.038 1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.457 -0.562 3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.766 0.175 4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.320 -1.091 2.706 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.948 -0.124 4.137 1.00 0.00 H new ATOM 655 N GLN A 38 8.628 2.937 0.824 1.00 0.00 N ATOM 656 CA GLN A 38 7.355 3.621 0.648 1.00 0.00 C ATOM 657 C GLN A 38 7.392 4.555 -0.550 1.00 0.00 C ATOM 658 O GLN A 38 6.365 4.815 -1.176 1.00 0.00 O ATOM 659 CB GLN A 38 6.905 4.321 1.928 1.00 0.00 C ATOM 660 CG GLN A 38 5.937 3.489 2.758 1.00 0.00 C ATOM 661 CD GLN A 38 6.422 2.066 2.984 1.00 0.00 C ATOM 662 OE1 GLN A 38 7.607 1.824 3.209 1.00 0.00 O ATOM 663 NE2 GLN A 38 5.515 1.112 2.914 1.00 0.00 N ATOM 0 H GLN A 38 9.190 3.282 1.602 1.00 0.00 H new ATOM 0 HA GLN A 38 6.599 2.866 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.781 4.558 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.431 5.268 1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.785 3.973 3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.968 3.462 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.541 1.348 2.726 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.788 0.138 3.048 1.00 0.00 H new ATOM 672 N CYS A 39 8.581 5.063 -0.869 1.00 0.00 N ATOM 673 CA CYS A 39 8.747 5.917 -2.037 1.00 0.00 C ATOM 674 C CYS A 39 8.466 5.070 -3.274 1.00 0.00 C ATOM 675 O CYS A 39 7.899 5.536 -4.263 1.00 0.00 O ATOM 676 CB CYS A 39 10.175 6.468 -2.095 1.00 0.00 C ATOM 677 SG CYS A 39 10.769 7.172 -0.537 1.00 0.00 S ATOM 0 H CYS A 39 9.436 4.898 -0.338 1.00 0.00 H new ATOM 0 HA CYS A 39 8.061 6.763 -1.986 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.849 5.666 -2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.224 7.235 -2.868 1.00 0.00 H new ATOM 0 HG CYS A 39 11.984 7.606 -0.693 1.00 0.00 H new ATOM 683 N ARG A 40 8.854 3.800 -3.182 1.00 0.00 N ATOM 684 CA ARG A 40 8.637 2.839 -4.248 1.00 0.00 C ATOM 685 C ARG A 40 7.171 2.426 -4.257 1.00 0.00 C ATOM 686 O ARG A 40 6.586 2.186 -5.311 1.00 0.00 O ATOM 687 CB ARG A 40 9.549 1.617 -4.040 1.00 0.00 C ATOM 688 CG ARG A 40 8.947 0.272 -4.426 1.00 0.00 C ATOM 689 CD ARG A 40 10.032 -0.773 -4.638 1.00 0.00 C ATOM 690 NE ARG A 40 9.526 -2.143 -4.537 1.00 0.00 N ATOM 691 CZ ARG A 40 8.785 -2.745 -5.472 1.00 0.00 C ATOM 692 NH1 ARG A 40 8.417 -2.093 -6.568 1.00 0.00 N ATOM 693 NH2 ARG A 40 8.425 -4.010 -5.312 1.00 0.00 N ATOM 0 H ARG A 40 9.327 3.414 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 40 8.883 3.288 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.462 1.765 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.839 1.577 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.264 -0.062 -3.645 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.360 0.381 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.483 -0.628 -5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.821 -0.626 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 40 9.754 -2.674 -3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.700 -1.122 -6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.851 -2.563 -7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.713 -4.521 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.859 -4.473 -6.023 1.00 0.00 H new ATOM 707 N GLU A 41 6.591 2.377 -3.062 1.00 0.00 N ATOM 708 CA GLU A 41 5.193 2.012 -2.874 1.00 0.00 C ATOM 709 C GLU A 41 4.279 2.964 -3.645 1.00 0.00 C ATOM 710 O GLU A 41 3.310 2.535 -4.270 1.00 0.00 O ATOM 711 CB GLU A 41 4.856 2.042 -1.378 1.00 0.00 C ATOM 712 CG GLU A 41 3.452 1.579 -1.023 1.00 0.00 C ATOM 713 CD GLU A 41 3.052 1.991 0.380 1.00 0.00 C ATOM 714 OE1 GLU A 41 2.685 3.169 0.571 1.00 0.00 O ATOM 715 OE2 GLU A 41 3.112 1.144 1.299 1.00 0.00 O ATOM 0 H GLU A 41 7.081 2.591 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 41 5.033 1.005 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.573 1.416 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.989 3.060 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.742 1.995 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.396 0.494 -1.111 1.00 0.00 H new ATOM 722 N ARG A 42 4.607 4.252 -3.623 1.00 0.00 N ATOM 723 CA ARG A 42 3.807 5.246 -4.328 1.00 0.00 C ATOM 724 C ARG A 42 3.997 5.124 -5.837 1.00 0.00 C ATOM 725 O ARG A 42 3.026 5.102 -6.588 1.00 0.00 O ATOM 726 CB ARG A 42 4.134 6.665 -3.859 1.00 0.00 C ATOM 727 CG ARG A 42 2.906 7.471 -3.453 1.00 0.00 C ATOM 728 CD ARG A 42 1.818 7.416 -4.518 1.00 0.00 C ATOM 729 NE ARG A 42 1.644 8.688 -5.222 1.00 0.00 N ATOM 730 CZ ARG A 42 0.472 9.311 -5.359 1.00 0.00 C ATOM 731 NH1 ARG A 42 -0.629 8.800 -4.813 1.00 0.00 N ATOM 732 NH2 ARG A 42 0.405 10.446 -6.041 1.00 0.00 N ATOM 0 H ARG A 42 5.415 4.629 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 42 2.761 5.051 -4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.819 6.610 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.656 7.192 -4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.513 7.087 -2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.193 8.508 -3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.063 6.637 -5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.874 7.133 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 42 2.469 9.125 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.580 7.928 -4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.522 9.281 -4.921 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.248 10.840 -6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.489 10.925 -6.148 1.00 0.00 H new ATOM 746 N TRP A 43 5.250 5.039 -6.274 1.00 0.00 N ATOM 747 CA TRP A 43 5.557 4.903 -7.698 1.00 0.00 C ATOM 748 C TRP A 43 4.849 3.680 -8.271 1.00 0.00 C ATOM 749 O TRP A 43 4.177 3.755 -9.303 1.00 0.00 O ATOM 750 CB TRP A 43 7.083 4.800 -7.906 1.00 0.00 C ATOM 751 CG TRP A 43 7.522 3.923 -9.051 1.00 0.00 C ATOM 752 CD1 TRP A 43 8.010 2.647 -8.966 1.00 0.00 C ATOM 753 CD2 TRP A 43 7.524 4.255 -10.448 1.00 0.00 C ATOM 754 NE1 TRP A 43 8.306 2.166 -10.220 1.00 0.00 N ATOM 755 CE2 TRP A 43 8.018 3.135 -11.145 1.00 0.00 C ATOM 756 CE3 TRP A 43 7.153 5.389 -11.176 1.00 0.00 C ATOM 757 CZ2 TRP A 43 8.151 3.118 -12.533 1.00 0.00 C ATOM 758 CZ3 TRP A 43 7.286 5.369 -12.552 1.00 0.00 C ATOM 759 CH2 TRP A 43 7.780 4.242 -13.215 1.00 0.00 C ATOM 0 H TRP A 43 6.069 5.062 -5.666 1.00 0.00 H new ATOM 0 HA TRP A 43 5.199 5.787 -8.225 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.479 5.803 -8.066 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.533 4.422 -6.988 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.143 2.097 -8.046 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.679 1.240 -10.427 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.770 6.264 -10.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.533 2.249 -13.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.003 6.240 -13.125 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.870 4.260 -14.291 1.00 0.00 H new ATOM 770 N ASN A 44 4.966 2.575 -7.550 1.00 0.00 N ATOM 771 CA ASN A 44 4.378 1.305 -7.950 1.00 0.00 C ATOM 772 C ASN A 44 2.848 1.304 -7.885 1.00 0.00 C ATOM 773 O ASN A 44 2.194 0.569 -8.626 1.00 0.00 O ATOM 774 CB ASN A 44 4.971 0.175 -7.094 1.00 0.00 C ATOM 775 CG ASN A 44 4.197 -1.125 -7.149 1.00 0.00 C ATOM 776 OD1 ASN A 44 4.116 -1.773 -8.193 1.00 0.00 O ATOM 777 ND2 ASN A 44 3.645 -1.519 -6.013 1.00 0.00 N ATOM 0 H ASN A 44 5.474 2.534 -6.666 1.00 0.00 H new ATOM 0 HA ASN A 44 4.629 1.141 -8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.994 -0.012 -7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.022 0.509 -6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.124 -2.395 -5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.740 -0.947 -5.174 1.00 0.00 H new ATOM 784 N ASN A 45 2.267 2.141 -7.032 1.00 0.00 N ATOM 785 CA ASN A 45 0.812 2.176 -6.892 1.00 0.00 C ATOM 786 C ASN A 45 0.162 3.413 -7.503 1.00 0.00 C ATOM 787 O ASN A 45 -1.020 3.650 -7.275 1.00 0.00 O ATOM 788 CB ASN A 45 0.397 2.082 -5.416 1.00 0.00 C ATOM 789 CG ASN A 45 0.435 0.673 -4.862 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.533 -0.082 -4.978 1.00 0.00 O ATOM 791 ND2 ASN A 45 1.543 0.320 -4.235 1.00 0.00 N ATOM 0 H ASN A 45 2.771 2.796 -6.434 1.00 0.00 H new ATOM 0 HA ASN A 45 0.455 1.309 -7.447 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.056 2.715 -4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.612 2.480 -5.305 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.622 -0.610 -3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.320 0.977 -4.163 1.00 0.00 H new ATOM 798 N TYR A 46 0.896 4.216 -8.267 1.00 0.00 N ATOM 799 CA TYR A 46 0.291 5.414 -8.847 1.00 0.00 C ATOM 800 C TYR A 46 0.755 5.724 -10.267 1.00 0.00 C ATOM 801 O TYR A 46 -0.066 5.932 -11.156 1.00 0.00 O ATOM 802 CB TYR A 46 0.515 6.630 -7.943 1.00 0.00 C ATOM 803 CG TYR A 46 -0.072 7.920 -8.478 1.00 0.00 C ATOM 804 CD1 TYR A 46 -1.422 8.211 -8.322 1.00 0.00 C ATOM 805 CD2 TYR A 46 0.726 8.848 -9.138 1.00 0.00 C ATOM 806 CE1 TYR A 46 -1.960 9.388 -8.810 1.00 0.00 C ATOM 807 CE2 TYR A 46 0.196 10.025 -9.626 1.00 0.00 C ATOM 808 CZ TYR A 46 -1.146 10.291 -9.461 1.00 0.00 C ATOM 809 OH TYR A 46 -1.675 11.461 -9.949 1.00 0.00 O ATOM 0 H TYR A 46 1.879 4.069 -8.495 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.775 5.195 -8.916 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.081 6.425 -6.964 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.586 6.766 -7.795 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.062 7.506 -7.811 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.778 8.644 -9.271 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.011 9.599 -8.682 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.831 10.735 -10.135 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.968 11.986 -10.379 1.00 0.00 H new ATOM 819 N ILE A 47 2.062 5.739 -10.488 1.00 0.00 N ATOM 820 CA ILE A 47 2.591 6.079 -11.808 1.00 0.00 C ATOM 821 C ILE A 47 2.958 4.840 -12.617 1.00 0.00 C ATOM 822 O ILE A 47 3.138 4.906 -13.833 1.00 0.00 O ATOM 823 CB ILE A 47 3.790 7.052 -11.738 1.00 0.00 C ATOM 824 CG1 ILE A 47 4.170 7.349 -10.281 1.00 0.00 C ATOM 825 CG2 ILE A 47 3.460 8.340 -12.479 1.00 0.00 C ATOM 826 CD1 ILE A 47 5.343 8.292 -10.127 1.00 0.00 C ATOM 0 H ILE A 47 2.769 5.524 -9.785 1.00 0.00 H new ATOM 0 HA ILE A 47 1.781 6.594 -12.325 1.00 0.00 H new ATOM 0 HB ILE A 47 4.647 6.580 -12.218 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.306 7.775 -9.771 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.405 6.410 -9.780 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.311 9.019 -12.424 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.243 8.114 -13.523 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.590 8.810 -12.021 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.547 8.449 -9.068 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.222 7.860 -10.605 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.106 9.247 -10.597 1.00 0.00 H new ATOM 838 N ASN A 48 3.070 3.715 -11.934 1.00 0.00 N ATOM 839 CA ASN A 48 3.403 2.453 -12.582 1.00 0.00 C ATOM 840 C ASN A 48 2.182 1.811 -13.258 1.00 0.00 C ATOM 841 O ASN A 48 2.234 1.486 -14.446 1.00 0.00 O ATOM 842 CB ASN A 48 4.056 1.477 -11.596 1.00 0.00 C ATOM 843 CG ASN A 48 4.480 0.174 -12.247 1.00 0.00 C ATOM 844 OD1 ASN A 48 4.950 0.156 -13.385 1.00 0.00 O ATOM 845 ND2 ASN A 48 4.318 -0.929 -11.530 1.00 0.00 N ATOM 0 H ASN A 48 2.935 3.647 -10.925 1.00 0.00 H new ATOM 0 HA ASN A 48 4.126 2.681 -13.365 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.927 1.952 -11.146 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.357 1.263 -10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.586 -1.833 -11.918 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.925 -0.873 -10.590 1.00 0.00 H new ATOM 852 N PRO A 49 1.065 1.607 -12.527 1.00 0.00 N ATOM 853 CA PRO A 49 -0.135 1.000 -13.080 1.00 0.00 C ATOM 854 C PRO A 49 -1.208 2.028 -13.434 1.00 0.00 C ATOM 855 O PRO A 49 -0.939 3.228 -13.526 1.00 0.00 O ATOM 856 CB PRO A 49 -0.606 0.168 -11.890 1.00 0.00 C ATOM 857 CG PRO A 49 -0.283 1.020 -10.704 1.00 0.00 C ATOM 858 CD PRO A 49 0.868 1.917 -11.101 1.00 0.00 C ATOM 0 HA PRO A 49 0.050 0.456 -14.006 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.673 -0.046 -11.949 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.091 -0.792 -11.845 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.149 1.612 -10.408 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.012 0.402 -9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.629 2.969 -10.948 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.763 1.705 -10.516 1.00 0.00 H new ATOM 866 N ALA A 50 -2.420 1.534 -13.645 1.00 0.00 N ATOM 867 CA ALA A 50 -3.558 2.379 -13.969 1.00 0.00 C ATOM 868 C ALA A 50 -4.766 1.982 -13.128 1.00 0.00 C ATOM 869 O ALA A 50 -5.801 1.567 -13.654 1.00 0.00 O ATOM 870 CB ALA A 50 -3.883 2.284 -15.452 1.00 0.00 C ATOM 0 H ALA A 50 -2.640 0.539 -13.596 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.302 3.413 -13.740 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.737 2.922 -15.679 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.022 2.610 -16.035 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.124 1.252 -15.706 1.00 0.00 H new ATOM 876 N LEU A 51 -4.621 2.080 -11.814 1.00 0.00 N ATOM 877 CA LEU A 51 -5.699 1.736 -10.896 1.00 0.00 C ATOM 878 C LEU A 51 -6.784 2.809 -10.869 1.00 0.00 C ATOM 879 O LEU A 51 -6.835 3.639 -9.963 1.00 0.00 O ATOM 880 CB LEU A 51 -5.147 1.474 -9.492 1.00 0.00 C ATOM 881 CG LEU A 51 -3.827 2.166 -9.142 1.00 0.00 C ATOM 882 CD1 LEU A 51 -4.071 3.503 -8.458 1.00 0.00 C ATOM 883 CD2 LEU A 51 -2.962 1.265 -8.279 1.00 0.00 C ATOM 0 H LEU A 51 -3.765 2.396 -11.358 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.164 0.819 -11.259 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.899 1.783 -8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.012 0.399 -9.373 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.294 2.362 -10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.115 3.971 -8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.639 4.154 -9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.634 3.344 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.029 1.775 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.491 1.028 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.744 0.344 -8.819 1.00 0.00 H new ATOM 895 N ARG A 52 -7.649 2.774 -11.869 1.00 0.00 N ATOM 896 CA ARG A 52 -8.732 3.736 -11.986 1.00 0.00 C ATOM 897 C ARG A 52 -9.974 3.091 -12.588 1.00 0.00 C ATOM 898 O ARG A 52 -10.110 1.871 -12.555 1.00 0.00 O ATOM 899 CB ARG A 52 -8.293 4.946 -12.811 1.00 0.00 C ATOM 900 CG ARG A 52 -7.436 5.936 -12.041 1.00 0.00 C ATOM 901 CD ARG A 52 -7.149 7.177 -12.860 1.00 0.00 C ATOM 902 NE ARG A 52 -8.362 7.928 -13.165 1.00 0.00 N ATOM 903 CZ ARG A 52 -8.464 8.780 -14.181 1.00 0.00 C ATOM 904 NH1 ARG A 52 -7.436 8.964 -14.996 1.00 0.00 N ATOM 905 NH2 ARG A 52 -9.597 9.439 -14.390 1.00 0.00 N ATOM 0 H ARG A 52 -7.621 2.082 -12.618 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.987 4.081 -10.984 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.736 4.598 -13.681 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.179 5.460 -13.184 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.943 6.217 -11.118 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.497 5.461 -11.756 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.455 7.817 -12.316 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.657 6.891 -13.790 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.176 7.792 -12.566 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.567 8.452 -14.844 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.514 9.617 -15.775 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.394 9.293 -13.770 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.671 10.092 -15.170 1.00 0.00 H new ATOM 919 N THR A 53 -10.827 3.921 -13.190 1.00 0.00 N ATOM 920 CA THR A 53 -12.090 3.473 -13.794 1.00 0.00 C ATOM 921 C THR A 53 -12.772 2.359 -12.981 1.00 0.00 C ATOM 922 O THR A 53 -13.012 1.263 -13.495 1.00 0.00 O ATOM 923 CB THR A 53 -11.877 3.004 -15.248 1.00 0.00 C ATOM 924 OG1 THR A 53 -10.899 3.844 -15.876 1.00 0.00 O ATOM 925 CG2 THR A 53 -13.174 3.093 -16.038 1.00 0.00 C ATOM 0 H THR A 53 -10.665 4.924 -13.274 1.00 0.00 H new ATOM 0 HA THR A 53 -12.753 4.338 -13.790 1.00 0.00 H new ATOM 0 HB THR A 53 -11.540 1.968 -15.232 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.759 3.549 -16.800 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.001 2.758 -17.061 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.929 2.460 -15.571 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.523 4.126 -16.049 1.00 0.00 H new ATOM 933 N ASP A 54 -13.054 2.646 -11.705 1.00 0.00 N ATOM 934 CA ASP A 54 -13.711 1.690 -10.802 1.00 0.00 C ATOM 935 C ASP A 54 -12.785 0.533 -10.416 1.00 0.00 C ATOM 936 O ASP A 54 -11.755 0.319 -11.049 1.00 0.00 O ATOM 937 CB ASP A 54 -15.030 1.165 -11.393 1.00 0.00 C ATOM 938 CG ASP A 54 -16.133 2.200 -11.363 1.00 0.00 C ATOM 939 OD1 ASP A 54 -16.604 2.544 -10.258 1.00 0.00 O ATOM 940 OD2 ASP A 54 -16.535 2.682 -12.444 1.00 0.00 O ATOM 0 H ASP A 54 -12.835 3.542 -11.270 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.948 2.236 -9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.862 0.848 -12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.348 0.284 -10.836 1.00 0.00 H new ATOM 945 N PRO A 55 -13.113 -0.212 -9.342 1.00 0.00 N ATOM 946 CA PRO A 55 -12.303 -1.351 -8.895 1.00 0.00 C ATOM 947 C PRO A 55 -12.433 -2.546 -9.843 1.00 0.00 C ATOM 948 O PRO A 55 -12.627 -2.379 -11.048 1.00 0.00 O ATOM 949 CB PRO A 55 -12.888 -1.697 -7.515 1.00 0.00 C ATOM 950 CG PRO A 55 -13.777 -0.553 -7.160 1.00 0.00 C ATOM 951 CD PRO A 55 -14.268 0.003 -8.462 1.00 0.00 C ATOM 0 HA PRO A 55 -11.240 -1.111 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.447 -2.632 -7.549 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.098 -1.824 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.609 -0.883 -6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.234 0.203 -6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -15.156 -0.519 -8.819 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.529 1.058 -8.382 1.00 0.00 H new ATOM 959 N TRP A 56 -12.327 -3.747 -9.297 1.00 0.00 N ATOM 960 CA TRP A 56 -12.428 -4.956 -10.103 1.00 0.00 C ATOM 961 C TRP A 56 -13.890 -5.329 -10.308 1.00 0.00 C ATOM 962 O TRP A 56 -14.766 -4.859 -9.581 1.00 0.00 O ATOM 963 CB TRP A 56 -11.673 -6.126 -9.460 1.00 0.00 C ATOM 964 CG TRP A 56 -10.842 -5.751 -8.269 1.00 0.00 C ATOM 965 CD1 TRP A 56 -9.639 -5.106 -8.275 1.00 0.00 C ATOM 966 CD2 TRP A 56 -11.151 -6.013 -6.896 1.00 0.00 C ATOM 967 NE1 TRP A 56 -9.187 -4.939 -6.989 1.00 0.00 N ATOM 968 CE2 TRP A 56 -10.095 -5.491 -6.125 1.00 0.00 C ATOM 969 CE3 TRP A 56 -12.220 -6.635 -6.244 1.00 0.00 C ATOM 970 CZ2 TRP A 56 -10.075 -5.571 -4.735 1.00 0.00 C ATOM 971 CZ3 TRP A 56 -12.198 -6.713 -4.865 1.00 0.00 C ATOM 972 CH2 TRP A 56 -11.133 -6.184 -4.126 1.00 0.00 C ATOM 0 H TRP A 56 -12.172 -3.912 -8.302 1.00 0.00 H new ATOM 0 HA TRP A 56 -11.968 -4.751 -11.070 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -12.394 -6.886 -9.159 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -11.026 -6.580 -10.210 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -9.119 -4.775 -9.162 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -8.317 -4.479 -6.721 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.045 -7.046 -6.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -9.255 -5.164 -4.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.017 -7.191 -4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -11.148 -6.262 -3.049 1.00 0.00 H new ATOM 983 N SER A 57 -14.147 -6.180 -11.285 1.00 0.00 N ATOM 984 CA SER A 57 -15.502 -6.604 -11.589 1.00 0.00 C ATOM 985 C SER A 57 -15.884 -7.811 -10.730 1.00 0.00 C ATOM 986 O SER A 57 -15.010 -8.465 -10.154 1.00 0.00 O ATOM 987 CB SER A 57 -15.593 -6.961 -13.075 1.00 0.00 C ATOM 988 OG SER A 57 -14.523 -6.374 -13.802 1.00 0.00 O ATOM 0 H SER A 57 -13.432 -6.593 -11.884 1.00 0.00 H new ATOM 0 HA SER A 57 -16.195 -5.793 -11.367 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.569 -8.044 -13.195 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.545 -6.616 -13.479 1.00 0.00 H new ATOM 0 HG SER A 57 -13.741 -6.964 -13.767 1.00 0.00 H new ATOM 994 N PRO A 58 -17.193 -8.120 -10.619 1.00 0.00 N ATOM 995 CA PRO A 58 -17.680 -9.265 -9.836 1.00 0.00 C ATOM 996 C PRO A 58 -17.018 -10.577 -10.256 1.00 0.00 C ATOM 997 O PRO A 58 -16.939 -11.522 -9.470 1.00 0.00 O ATOM 998 CB PRO A 58 -19.177 -9.299 -10.138 1.00 0.00 C ATOM 999 CG PRO A 58 -19.506 -7.893 -10.492 1.00 0.00 C ATOM 1000 CD PRO A 58 -18.305 -7.362 -11.222 1.00 0.00 C ATOM 0 HA PRO A 58 -17.452 -9.158 -8.775 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.403 -9.980 -10.958 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -19.750 -9.638 -9.275 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.397 -7.846 -11.119 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.713 -7.303 -9.599 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -18.376 -7.534 -12.296 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.187 -6.288 -11.078 1.00 0.00 H new ATOM 1008 N GLU A 59 -16.527 -10.627 -11.493 1.00 0.00 N ATOM 1009 CA GLU A 59 -15.857 -11.819 -11.993 1.00 0.00 C ATOM 1010 C GLU A 59 -14.560 -12.020 -11.223 1.00 0.00 C ATOM 1011 O GLU A 59 -14.191 -13.145 -10.886 1.00 0.00 O ATOM 1012 CB GLU A 59 -15.553 -11.692 -13.489 1.00 0.00 C ATOM 1013 CG GLU A 59 -16.771 -11.433 -14.358 1.00 0.00 C ATOM 1014 CD GLU A 59 -17.012 -9.961 -14.611 1.00 0.00 C ATOM 1015 OE1 GLU A 59 -16.468 -9.429 -15.603 1.00 0.00 O ATOM 1016 OE2 GLU A 59 -17.757 -9.332 -13.831 1.00 0.00 O ATOM 0 H GLU A 59 -16.581 -9.859 -12.162 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.515 -12.676 -11.851 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.839 -10.881 -13.634 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.069 -12.608 -13.828 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.646 -11.945 -15.312 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.651 -11.863 -13.879 1.00 0.00 H new ATOM 1023 N GLU A 60 -13.887 -10.913 -10.937 1.00 0.00 N ATOM 1024 CA GLU A 60 -12.641 -10.936 -10.193 1.00 0.00 C ATOM 1025 C GLU A 60 -12.934 -11.130 -8.714 1.00 0.00 C ATOM 1026 O GLU A 60 -12.202 -11.819 -8.018 1.00 0.00 O ATOM 1027 CB GLU A 60 -11.850 -9.639 -10.401 1.00 0.00 C ATOM 1028 CG GLU A 60 -11.272 -9.463 -11.796 1.00 0.00 C ATOM 1029 CD GLU A 60 -12.263 -8.870 -12.775 1.00 0.00 C ATOM 1030 OE1 GLU A 60 -12.357 -7.626 -12.853 1.00 0.00 O ATOM 1031 OE2 GLU A 60 -12.947 -9.641 -13.475 1.00 0.00 O ATOM 0 H GLU A 60 -14.190 -9.979 -11.214 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.036 -11.765 -10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.502 -8.793 -10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.035 -9.607 -9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.394 -8.819 -11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.935 -10.430 -12.169 1.00 0.00 H new ATOM 1038 N ASP A 61 -14.024 -10.528 -8.248 1.00 0.00 N ATOM 1039 CA ASP A 61 -14.438 -10.636 -6.846 1.00 0.00 C ATOM 1040 C ASP A 61 -14.616 -12.096 -6.435 1.00 0.00 C ATOM 1041 O ASP A 61 -14.120 -12.526 -5.392 1.00 0.00 O ATOM 1042 CB ASP A 61 -15.735 -9.845 -6.605 1.00 0.00 C ATOM 1043 CG ASP A 61 -16.522 -10.308 -5.387 1.00 0.00 C ATOM 1044 OD1 ASP A 61 -16.181 -9.902 -4.256 1.00 0.00 O ATOM 1045 OD2 ASP A 61 -17.496 -11.071 -5.561 1.00 0.00 O ATOM 0 H ASP A 61 -14.643 -9.956 -8.822 1.00 0.00 H new ATOM 0 HA ASP A 61 -13.649 -10.207 -6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.489 -8.790 -6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.369 -9.928 -7.488 1.00 0.00 H new ATOM 1050 N MET A 62 -15.295 -12.864 -7.277 1.00 0.00 N ATOM 1051 CA MET A 62 -15.534 -14.270 -6.991 1.00 0.00 C ATOM 1052 C MET A 62 -14.327 -15.135 -7.337 1.00 0.00 C ATOM 1053 O MET A 62 -14.230 -16.281 -6.903 1.00 0.00 O ATOM 1054 CB MET A 62 -16.789 -14.773 -7.702 1.00 0.00 C ATOM 1055 CG MET A 62 -18.076 -14.181 -7.154 1.00 0.00 C ATOM 1056 SD MET A 62 -19.551 -14.955 -7.844 1.00 0.00 S ATOM 1057 CE MET A 62 -20.827 -13.987 -7.040 1.00 0.00 C ATOM 0 H MET A 62 -15.688 -12.538 -8.160 1.00 0.00 H new ATOM 0 HA MET A 62 -15.696 -14.355 -5.916 1.00 0.00 H new ATOM 0 HB2 MET A 62 -16.714 -14.538 -8.764 1.00 0.00 H new ATOM 0 HB3 MET A 62 -16.834 -15.859 -7.618 1.00 0.00 H new ATOM 0 HG2 MET A 62 -18.088 -14.290 -6.070 1.00 0.00 H new ATOM 0 HG3 MET A 62 -18.099 -13.112 -7.367 1.00 0.00 H new ATOM 0 HE1 MET A 62 -21.807 -14.340 -7.360 1.00 0.00 H new ATOM 0 HE2 MET A 62 -20.738 -14.094 -5.959 1.00 0.00 H new ATOM 0 HE3 MET A 62 -20.713 -12.937 -7.311 1.00 0.00 H new ATOM 1067 N LEU A 63 -13.404 -14.587 -8.112 1.00 0.00 N ATOM 1068 CA LEU A 63 -12.201 -15.314 -8.491 1.00 0.00 C ATOM 1069 C LEU A 63 -11.156 -15.152 -7.394 1.00 0.00 C ATOM 1070 O LEU A 63 -10.487 -16.110 -7.001 1.00 0.00 O ATOM 1071 CB LEU A 63 -11.657 -14.761 -9.812 1.00 0.00 C ATOM 1072 CG LEU A 63 -10.362 -15.385 -10.331 1.00 0.00 C ATOM 1073 CD1 LEU A 63 -10.634 -16.738 -10.968 1.00 0.00 C ATOM 1074 CD2 LEU A 63 -9.674 -14.452 -11.315 1.00 0.00 C ATOM 0 H LEU A 63 -13.464 -13.642 -8.491 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.436 -16.371 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.425 -14.884 -10.576 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.496 -13.690 -9.693 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.693 -15.539 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.699 -17.164 -11.331 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.075 -17.406 -10.228 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.324 -16.615 -11.803 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.754 -14.915 -11.673 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.336 -14.261 -12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.438 -13.511 -10.819 1.00 0.00 H new ATOM 1086 N LEU A 64 -11.053 -13.925 -6.891 1.00 0.00 N ATOM 1087 CA LEU A 64 -10.113 -13.582 -5.831 1.00 0.00 C ATOM 1088 C LEU A 64 -10.411 -14.357 -4.555 1.00 0.00 C ATOM 1089 O LEU A 64 -9.551 -14.492 -3.693 1.00 0.00 O ATOM 1090 CB LEU A 64 -10.129 -12.074 -5.560 1.00 0.00 C ATOM 1091 CG LEU A 64 -9.053 -11.237 -6.267 1.00 0.00 C ATOM 1092 CD1 LEU A 64 -8.998 -11.560 -7.752 1.00 0.00 C ATOM 1093 CD2 LEU A 64 -9.310 -9.753 -6.056 1.00 0.00 C ATOM 0 H LEU A 64 -11.621 -13.140 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.115 -13.863 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.106 -11.686 -5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.029 -11.920 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.087 -11.490 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.228 -10.953 -8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.763 -12.616 -7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.964 -11.343 -8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.538 -9.174 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.287 -9.491 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.290 -9.528 -4.990 1.00 0.00 H new ATOM 1105 N ASP A 65 -11.640 -14.853 -4.433 1.00 0.00 N ATOM 1106 CA ASP A 65 -12.027 -15.645 -3.271 1.00 0.00 C ATOM 1107 C ASP A 65 -11.141 -16.880 -3.192 1.00 0.00 C ATOM 1108 O ASP A 65 -10.624 -17.228 -2.130 1.00 0.00 O ATOM 1109 CB ASP A 65 -13.498 -16.063 -3.367 1.00 0.00 C ATOM 1110 CG ASP A 65 -13.932 -16.941 -2.208 1.00 0.00 C ATOM 1111 OD1 ASP A 65 -14.116 -16.408 -1.093 1.00 0.00 O ATOM 1112 OD2 ASP A 65 -14.092 -18.164 -2.404 1.00 0.00 O ATOM 0 H ASP A 65 -12.381 -14.721 -5.121 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.902 -15.042 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.124 -15.171 -3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.660 -16.597 -4.303 1.00 0.00 H new ATOM 1117 N GLN A 66 -10.945 -17.512 -4.343 1.00 0.00 N ATOM 1118 CA GLN A 66 -10.112 -18.699 -4.438 1.00 0.00 C ATOM 1119 C GLN A 66 -8.652 -18.287 -4.599 1.00 0.00 C ATOM 1120 O GLN A 66 -7.750 -18.900 -4.021 1.00 0.00 O ATOM 1121 CB GLN A 66 -10.553 -19.558 -5.621 1.00 0.00 C ATOM 1122 CG GLN A 66 -10.093 -21.003 -5.544 1.00 0.00 C ATOM 1123 CD GLN A 66 -10.563 -21.818 -6.728 1.00 0.00 C ATOM 1124 OE1 GLN A 66 -9.861 -21.937 -7.730 1.00 0.00 O ATOM 1125 NE2 GLN A 66 -11.759 -22.374 -6.628 1.00 0.00 N ATOM 0 H GLN A 66 -11.356 -17.217 -5.229 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.218 -19.286 -3.526 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.641 -19.537 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.171 -19.115 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.005 -21.033 -5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.467 -21.453 -4.624 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.309 -22.250 -5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.131 -22.926 -7.401 1.00 0.00 H new ATOM 1134 N LYS A 67 -8.426 -17.226 -5.371 1.00 0.00 N ATOM 1135 CA LYS A 67 -7.082 -16.707 -5.604 1.00 0.00 C ATOM 1136 C LYS A 67 -6.664 -15.848 -4.414 1.00 0.00 C ATOM 1137 O LYS A 67 -6.336 -14.670 -4.554 1.00 0.00 O ATOM 1138 CB LYS A 67 -7.037 -15.882 -6.895 1.00 0.00 C ATOM 1139 CG LYS A 67 -7.500 -16.623 -8.141 1.00 0.00 C ATOM 1140 CD LYS A 67 -6.408 -17.513 -8.713 1.00 0.00 C ATOM 1141 CE LYS A 67 -6.903 -18.249 -9.949 1.00 0.00 C ATOM 1142 NZ LYS A 67 -5.801 -18.929 -10.679 1.00 0.00 N ATOM 0 H LYS A 67 -9.163 -16.707 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.390 -17.542 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.657 -14.995 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.016 -15.536 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.372 -17.230 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.813 -15.902 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.537 -16.909 -8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.087 -18.233 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.651 -18.986 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.397 -17.543 -10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.186 -19.417 -11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.099 -18.224 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.345 -19.623 -10.052 1.00 0.00 H new ATOM 1156 N TYR A 68 -6.678 -16.474 -3.249 1.00 0.00 N ATOM 1157 CA TYR A 68 -6.336 -15.830 -1.988 1.00 0.00 C ATOM 1158 C TYR A 68 -6.266 -16.905 -0.915 1.00 0.00 C ATOM 1159 O TYR A 68 -5.305 -16.994 -0.162 1.00 0.00 O ATOM 1160 CB TYR A 68 -7.396 -14.785 -1.610 1.00 0.00 C ATOM 1161 CG TYR A 68 -7.136 -14.066 -0.304 1.00 0.00 C ATOM 1162 CD1 TYR A 68 -6.218 -13.029 -0.232 1.00 0.00 C ATOM 1163 CD2 TYR A 68 -7.814 -14.422 0.858 1.00 0.00 C ATOM 1164 CE1 TYR A 68 -5.981 -12.366 0.956 1.00 0.00 C ATOM 1165 CE2 TYR A 68 -7.581 -13.764 2.050 1.00 0.00 C ATOM 1166 CZ TYR A 68 -6.664 -12.737 2.094 1.00 0.00 C ATOM 1167 OH TYR A 68 -6.432 -12.075 3.280 1.00 0.00 O ATOM 0 H TYR A 68 -6.930 -17.457 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.378 -15.319 -2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.460 -14.047 -2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.367 -15.277 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.679 -12.735 -1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.534 -15.226 0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.263 -11.560 0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.115 -14.053 2.943 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.995 -12.459 3.984 1.00 0.00 H new ATOM 1177 N ALA A 69 -7.280 -17.758 -0.889 1.00 0.00 N ATOM 1178 CA ALA A 69 -7.339 -18.847 0.078 1.00 0.00 C ATOM 1179 C ALA A 69 -6.337 -19.946 -0.276 1.00 0.00 C ATOM 1180 O ALA A 69 -6.201 -20.937 0.444 1.00 0.00 O ATOM 1181 CB ALA A 69 -8.748 -19.412 0.146 1.00 0.00 C ATOM 0 H ALA A 69 -8.075 -17.718 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.072 -18.451 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.779 -20.225 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.440 -18.627 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.036 -19.790 -0.835 1.00 0.00 H new ATOM 1187 N GLU A 70 -5.639 -19.759 -1.390 1.00 0.00 N ATOM 1188 CA GLU A 70 -4.648 -20.719 -1.848 1.00 0.00 C ATOM 1189 C GLU A 70 -3.237 -20.167 -1.648 1.00 0.00 C ATOM 1190 O GLU A 70 -2.299 -20.919 -1.387 1.00 0.00 O ATOM 1191 CB GLU A 70 -4.872 -21.045 -3.327 1.00 0.00 C ATOM 1192 CG GLU A 70 -6.138 -21.841 -3.605 1.00 0.00 C ATOM 1193 CD GLU A 70 -6.100 -23.224 -2.992 1.00 0.00 C ATOM 1194 OE1 GLU A 70 -5.121 -23.961 -3.237 1.00 0.00 O ATOM 1195 OE2 GLU A 70 -7.047 -23.581 -2.264 1.00 0.00 O ATOM 0 H GLU A 70 -5.744 -18.944 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.755 -21.631 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.911 -20.113 -3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.014 -21.606 -3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.998 -21.297 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.279 -21.928 -4.682 1.00 0.00 H new ATOM 1202 N TYR A 71 -3.094 -18.849 -1.763 1.00 0.00 N ATOM 1203 CA TYR A 71 -1.797 -18.194 -1.607 1.00 0.00 C ATOM 1204 C TYR A 71 -1.885 -17.096 -0.553 1.00 0.00 C ATOM 1205 O TYR A 71 -1.391 -15.990 -0.764 1.00 0.00 O ATOM 1206 CB TYR A 71 -1.339 -17.591 -2.944 1.00 0.00 C ATOM 1207 CG TYR A 71 -1.424 -18.535 -4.124 1.00 0.00 C ATOM 1208 CD1 TYR A 71 -0.551 -19.608 -4.246 1.00 0.00 C ATOM 1209 CD2 TYR A 71 -2.377 -18.349 -5.119 1.00 0.00 C ATOM 1210 CE1 TYR A 71 -0.625 -20.470 -5.325 1.00 0.00 C ATOM 1211 CE2 TYR A 71 -2.458 -19.206 -6.200 1.00 0.00 C ATOM 1212 CZ TYR A 71 -1.581 -20.264 -6.298 1.00 0.00 C ATOM 1213 OH TYR A 71 -1.660 -21.120 -7.375 1.00 0.00 O ATOM 0 H TYR A 71 -3.864 -18.211 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.070 -18.940 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.944 -16.710 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.308 -17.252 -2.840 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.198 -19.772 -3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.066 -17.520 -5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 71 0.062 -21.300 -5.405 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.205 -19.047 -6.964 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.387 -20.835 -7.967 1.00 0.00 H new ATOM 1223 N GLY A 72 -2.473 -17.450 0.593 1.00 0.00 N ATOM 1224 CA GLY A 72 -2.666 -16.511 1.700 1.00 0.00 C ATOM 1225 C GLY A 72 -2.949 -15.078 1.268 1.00 0.00 C ATOM 1226 O GLY A 72 -3.697 -14.843 0.322 1.00 0.00 O ATOM 0 H GLY A 72 -2.826 -18.389 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.493 -16.861 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.774 -16.519 2.327 1.00 0.00 H new ATOM 1230 N PRO A 73 -2.351 -14.091 1.948 1.00 0.00 N ATOM 1231 CA PRO A 73 -2.527 -12.682 1.616 1.00 0.00 C ATOM 1232 C PRO A 73 -1.434 -12.203 0.668 1.00 0.00 C ATOM 1233 O PRO A 73 -0.968 -11.069 0.755 1.00 0.00 O ATOM 1234 CB PRO A 73 -2.360 -12.016 2.979 1.00 0.00 C ATOM 1235 CG PRO A 73 -1.379 -12.879 3.707 1.00 0.00 C ATOM 1236 CD PRO A 73 -1.471 -14.266 3.114 1.00 0.00 C ATOM 0 HA PRO A 73 -3.473 -12.467 1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.991 -10.995 2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.310 -11.960 3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.369 -12.483 3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.605 -12.902 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.490 -14.642 2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.887 -14.979 3.826 1.00 0.00 H new ATOM 1244 N LYS A 74 -1.030 -13.075 -0.243 1.00 0.00 N ATOM 1245 CA LYS A 74 0.021 -12.752 -1.197 1.00 0.00 C ATOM 1246 C LYS A 74 -0.487 -11.887 -2.343 1.00 0.00 C ATOM 1247 O LYS A 74 -0.342 -12.256 -3.509 1.00 0.00 O ATOM 1248 CB LYS A 74 0.666 -14.022 -1.749 1.00 0.00 C ATOM 1249 CG LYS A 74 2.097 -14.238 -1.299 1.00 0.00 C ATOM 1250 CD LYS A 74 2.175 -14.523 0.189 1.00 0.00 C ATOM 1251 CE LYS A 74 3.609 -14.785 0.609 1.00 0.00 C ATOM 1252 NZ LYS A 74 3.705 -15.229 2.021 1.00 0.00 N ATOM 0 H LYS A 74 -1.415 -14.014 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 74 0.771 -12.177 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.068 -14.881 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.641 -13.985 -2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.532 -15.070 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.690 -13.354 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.776 -13.677 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.556 -15.386 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.043 -15.546 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.197 -13.877 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.702 -15.396 2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.315 -14.493 2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.166 -16.109 2.146 1.00 0.00 H new ATOM 1266 N TRP A 75 -1.085 -10.746 -2.009 1.00 0.00 N ATOM 1267 CA TRP A 75 -1.597 -9.816 -3.015 1.00 0.00 C ATOM 1268 C TRP A 75 -0.547 -9.487 -4.074 1.00 0.00 C ATOM 1269 O TRP A 75 -0.885 -9.257 -5.231 1.00 0.00 O ATOM 1270 CB TRP A 75 -2.156 -8.545 -2.376 1.00 0.00 C ATOM 1271 CG TRP A 75 -3.456 -8.760 -1.660 1.00 0.00 C ATOM 1272 CD1 TRP A 75 -3.734 -8.463 -0.359 1.00 0.00 C ATOM 1273 CD2 TRP A 75 -4.655 -9.327 -2.207 1.00 0.00 C ATOM 1274 NE1 TRP A 75 -5.031 -8.804 -0.062 1.00 0.00 N ATOM 1275 CE2 TRP A 75 -5.617 -9.336 -1.179 1.00 0.00 C ATOM 1276 CE3 TRP A 75 -5.010 -9.824 -3.464 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 -6.907 -9.822 -1.371 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 -6.291 -10.306 -3.651 1.00 0.00 C ATOM 1279 CH2 TRP A 75 -7.226 -10.301 -2.612 1.00 0.00 C ATOM 0 H TRP A 75 -1.228 -10.442 -1.046 1.00 0.00 H new ATOM 0 HA TRP A 75 -2.421 -10.320 -3.521 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -1.424 -8.149 -1.673 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -2.296 -7.790 -3.149 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -3.036 -8.023 0.337 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -5.484 -8.681 0.844 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -4.296 -9.831 -4.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -7.630 -9.821 -0.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -6.575 -10.694 -4.618 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -8.220 -10.683 -2.793 1.00 0.00 H new ATOM 1290 N ASN A 76 0.723 -9.493 -3.667 1.00 0.00 N ATOM 1291 CA ASN A 76 1.846 -9.229 -4.572 1.00 0.00 C ATOM 1292 C ASN A 76 1.816 -10.203 -5.752 1.00 0.00 C ATOM 1293 O ASN A 76 2.132 -9.844 -6.887 1.00 0.00 O ATOM 1294 CB ASN A 76 3.167 -9.395 -3.799 1.00 0.00 C ATOM 1295 CG ASN A 76 4.419 -9.199 -4.647 1.00 0.00 C ATOM 1296 OD1 ASN A 76 4.640 -9.906 -5.627 1.00 0.00 O ATOM 1297 ND2 ASN A 76 5.261 -8.257 -4.258 1.00 0.00 N ATOM 0 H ASN A 76 1.003 -9.680 -2.704 1.00 0.00 H new ATOM 0 HA ASN A 76 1.766 -8.212 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.185 -8.681 -2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.193 -10.391 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.125 -8.100 -4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.047 -7.688 -3.439 1.00 0.00 H new ATOM 1304 N LYS A 77 1.450 -11.445 -5.464 1.00 0.00 N ATOM 1305 CA LYS A 77 1.368 -12.480 -6.480 1.00 0.00 C ATOM 1306 C LYS A 77 0.024 -12.427 -7.199 1.00 0.00 C ATOM 1307 O LYS A 77 -0.070 -12.743 -8.384 1.00 0.00 O ATOM 1308 CB LYS A 77 1.546 -13.859 -5.837 1.00 0.00 C ATOM 1309 CG LYS A 77 2.798 -14.002 -4.986 1.00 0.00 C ATOM 1310 CD LYS A 77 4.010 -14.363 -5.829 1.00 0.00 C ATOM 1311 CE LYS A 77 5.199 -14.734 -4.957 1.00 0.00 C ATOM 1312 NZ LYS A 77 6.295 -15.351 -5.744 1.00 0.00 N ATOM 0 H LYS A 77 1.204 -11.760 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 77 2.163 -12.309 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.675 -14.072 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.569 -14.613 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.987 -13.068 -4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.638 -14.770 -4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.763 -15.197 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.274 -13.521 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.572 -13.842 -4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.876 -15.427 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.086 -15.589 -5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.947 -16.217 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.621 -14.681 -6.469 1.00 0.00 H new ATOM 1326 N ILE A 78 -1.009 -12.012 -6.479 1.00 0.00 N ATOM 1327 CA ILE A 78 -2.355 -11.930 -7.039 1.00 0.00 C ATOM 1328 C ILE A 78 -2.463 -10.823 -8.085 1.00 0.00 C ATOM 1329 O ILE A 78 -3.144 -10.987 -9.099 1.00 0.00 O ATOM 1330 CB ILE A 78 -3.434 -11.744 -5.951 1.00 0.00 C ATOM 1331 CG1 ILE A 78 -3.233 -12.756 -4.814 1.00 0.00 C ATOM 1332 CG2 ILE A 78 -4.831 -11.880 -6.546 1.00 0.00 C ATOM 1333 CD1 ILE A 78 -3.205 -14.204 -5.263 1.00 0.00 C ATOM 0 H ILE A 78 -0.942 -11.726 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.539 -12.887 -7.528 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.334 -10.739 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.298 -12.529 -4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.034 -12.629 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.575 -11.745 -5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.974 -11.122 -7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.944 -12.870 -6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.059 -14.851 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.149 -14.453 -5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.386 -14.351 -5.968 1.00 0.00 H new ATOM 1345 N SER A 79 -1.773 -9.709 -7.858 1.00 0.00 N ATOM 1346 CA SER A 79 -1.790 -8.590 -8.795 1.00 0.00 C ATOM 1347 C SER A 79 -1.166 -8.994 -10.128 1.00 0.00 C ATOM 1348 O SER A 79 -1.347 -8.329 -11.145 1.00 0.00 O ATOM 1349 CB SER A 79 -1.036 -7.402 -8.194 1.00 0.00 C ATOM 1350 OG SER A 79 0.076 -7.850 -7.439 1.00 0.00 O ATOM 0 H SER A 79 -1.194 -9.557 -7.032 1.00 0.00 H new ATOM 0 HA SER A 79 -2.825 -8.301 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.699 -6.738 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.705 -6.823 -7.558 1.00 0.00 H new ATOM 0 HG SER A 79 -0.235 -8.220 -6.586 1.00 0.00 H new ATOM 1356 N LYS A 80 -0.441 -10.104 -10.109 1.00 0.00 N ATOM 1357 CA LYS A 80 0.207 -10.615 -11.302 1.00 0.00 C ATOM 1358 C LYS A 80 -0.788 -11.392 -12.158 1.00 0.00 C ATOM 1359 O LYS A 80 -0.614 -11.520 -13.371 1.00 0.00 O ATOM 1360 CB LYS A 80 1.410 -11.478 -10.931 1.00 0.00 C ATOM 1361 CG LYS A 80 2.588 -10.676 -10.404 1.00 0.00 C ATOM 1362 CD LYS A 80 3.564 -11.554 -9.642 1.00 0.00 C ATOM 1363 CE LYS A 80 4.820 -10.785 -9.261 1.00 0.00 C ATOM 1364 NZ LYS A 80 4.516 -9.555 -8.477 1.00 0.00 N ATOM 0 H LYS A 80 -0.288 -10.669 -9.273 1.00 0.00 H new ATOM 0 HA LYS A 80 0.570 -9.772 -11.890 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.108 -12.204 -10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.727 -12.042 -11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.103 -10.195 -11.236 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.226 -9.882 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.084 -11.939 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.834 -12.416 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.476 -11.432 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.364 -10.511 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.746 -8.715 -9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.506 -9.541 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.084 -9.549 -7.606 1.00 0.00 H new ATOM 1378 N PHE A 81 -1.835 -11.908 -11.524 1.00 0.00 N ATOM 1379 CA PHE A 81 -2.866 -12.648 -12.237 1.00 0.00 C ATOM 1380 C PHE A 81 -3.912 -11.671 -12.758 1.00 0.00 C ATOM 1381 O PHE A 81 -4.647 -11.966 -13.702 1.00 0.00 O ATOM 1382 CB PHE A 81 -3.533 -13.671 -11.311 1.00 0.00 C ATOM 1383 CG PHE A 81 -2.580 -14.611 -10.624 1.00 0.00 C ATOM 1384 CD1 PHE A 81 -1.577 -15.249 -11.336 1.00 0.00 C ATOM 1385 CD2 PHE A 81 -2.691 -14.855 -9.264 1.00 0.00 C ATOM 1386 CE1 PHE A 81 -0.702 -16.112 -10.703 1.00 0.00 C ATOM 1387 CE2 PHE A 81 -1.819 -15.717 -8.626 1.00 0.00 C ATOM 1388 CZ PHE A 81 -0.822 -16.347 -9.346 1.00 0.00 C ATOM 0 H PHE A 81 -1.991 -11.827 -10.519 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.408 -13.182 -13.070 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.105 -13.136 -10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.245 -14.257 -11.892 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.478 -15.070 -12.396 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.468 -14.366 -8.696 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.076 -16.603 -11.269 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.917 -15.898 -7.566 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.139 -17.021 -8.850 1.00 0.00 H new ATOM 1398 N LEU A 82 -3.957 -10.499 -12.134 1.00 0.00 N ATOM 1399 CA LEU A 82 -4.893 -9.448 -12.507 1.00 0.00 C ATOM 1400 C LEU A 82 -4.111 -8.205 -12.919 1.00 0.00 C ATOM 1401 O LEU A 82 -3.989 -7.249 -12.148 1.00 0.00 O ATOM 1402 CB LEU A 82 -5.841 -9.115 -11.345 1.00 0.00 C ATOM 1403 CG LEU A 82 -6.917 -10.155 -10.993 1.00 0.00 C ATOM 1404 CD1 LEU A 82 -7.621 -10.668 -12.242 1.00 0.00 C ATOM 1405 CD2 LEU A 82 -6.342 -11.299 -10.171 1.00 0.00 C ATOM 0 H LEU A 82 -3.345 -10.252 -11.356 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.499 -9.797 -13.343 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.236 -8.941 -10.455 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.343 -8.176 -11.578 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.663 -9.655 -10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.376 -11.402 -11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.100 -9.836 -12.758 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.892 -11.135 -12.905 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.131 -12.014 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.556 -11.796 -10.739 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.926 -10.907 -9.243 1.00 0.00 H new ATOM 1417 N LYS A 83 -3.572 -8.248 -14.134 1.00 0.00 N ATOM 1418 CA LYS A 83 -2.771 -7.161 -14.693 1.00 0.00 C ATOM 1419 C LYS A 83 -3.564 -5.857 -14.792 1.00 0.00 C ATOM 1420 O LYS A 83 -4.171 -5.568 -15.827 1.00 0.00 O ATOM 1421 CB LYS A 83 -2.247 -7.583 -16.073 1.00 0.00 C ATOM 1422 CG LYS A 83 -1.333 -6.581 -16.763 1.00 0.00 C ATOM 1423 CD LYS A 83 -0.847 -7.131 -18.097 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.220 -6.049 -18.960 1.00 0.00 C ATOM 1425 NZ LYS A 83 0.241 -6.579 -20.274 1.00 0.00 N ATOM 0 H LYS A 83 -3.679 -9.043 -14.764 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.934 -6.969 -14.022 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.709 -8.525 -15.965 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.101 -7.776 -16.723 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.866 -5.644 -16.922 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.480 -6.358 -16.123 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.118 -7.922 -17.920 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.684 -7.582 -18.631 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.945 -5.252 -19.125 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.625 -5.608 -18.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.662 -5.808 -20.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.952 -7.322 -20.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.569 -6.977 -20.791 1.00 0.00 H new ATOM 1439 N ASN A 84 -3.550 -5.081 -13.705 1.00 0.00 N ATOM 1440 CA ASN A 84 -4.263 -3.800 -13.657 1.00 0.00 C ATOM 1441 C ASN A 84 -4.168 -3.106 -12.299 1.00 0.00 C ATOM 1442 O ASN A 84 -4.074 -1.880 -12.230 1.00 0.00 O ATOM 1443 CB ASN A 84 -5.741 -3.974 -14.027 1.00 0.00 C ATOM 1444 CG ASN A 84 -6.300 -2.765 -14.750 1.00 0.00 C ATOM 1445 OD1 ASN A 84 -6.817 -1.838 -14.128 1.00 0.00 O ATOM 1446 ND2 ASN A 84 -6.199 -2.768 -16.069 1.00 0.00 N ATOM 0 H ASN A 84 -3.053 -5.317 -12.846 1.00 0.00 H new ATOM 0 HA ASN A 84 -3.767 -3.164 -14.391 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.854 -4.856 -14.658 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.321 -4.153 -13.122 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.557 -1.981 -16.610 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.763 -3.557 -16.545 1.00 0.00 H new ATOM 1453 N ARG A 85 -4.202 -3.876 -11.218 1.00 0.00 N ATOM 1454 CA ARG A 85 -4.157 -3.291 -9.876 1.00 0.00 C ATOM 1455 C ARG A 85 -2.907 -3.702 -9.104 1.00 0.00 C ATOM 1456 O ARG A 85 -2.305 -4.734 -9.393 1.00 0.00 O ATOM 1457 CB ARG A 85 -5.421 -3.649 -9.090 1.00 0.00 C ATOM 1458 CG ARG A 85 -6.719 -3.257 -9.780 1.00 0.00 C ATOM 1459 CD ARG A 85 -6.823 -1.751 -9.962 1.00 0.00 C ATOM 1460 NE ARG A 85 -7.287 -1.396 -11.302 1.00 0.00 N ATOM 1461 CZ ARG A 85 -8.407 -0.721 -11.551 1.00 0.00 C ATOM 1462 NH1 ARG A 85 -9.173 -0.298 -10.553 1.00 0.00 N ATOM 1463 NH2 ARG A 85 -8.751 -0.458 -12.803 1.00 0.00 N ATOM 0 H ARG A 85 -4.260 -4.894 -11.239 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.113 -2.209 -10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.430 -4.724 -8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.379 -3.162 -8.116 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.777 -3.747 -10.752 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.566 -3.613 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.509 -1.342 -9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.849 -1.295 -9.782 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.716 -1.684 -12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.905 -0.490 -9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.030 0.219 -10.751 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.159 -0.772 -13.571 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.608 0.059 -12.998 1.00 0.00 H new ATOM 1477 N SER A 86 -2.528 -2.885 -8.120 1.00 0.00 N ATOM 1478 CA SER A 86 -1.342 -3.150 -7.312 1.00 0.00 C ATOM 1479 C SER A 86 -1.678 -3.467 -5.848 1.00 0.00 C ATOM 1480 O SER A 86 -2.841 -3.418 -5.438 1.00 0.00 O ATOM 1481 CB SER A 86 -0.380 -1.965 -7.388 1.00 0.00 C ATOM 1482 OG SER A 86 -0.327 -1.430 -8.700 1.00 0.00 O ATOM 0 H SER A 86 -3.028 -2.033 -7.865 1.00 0.00 H new ATOM 0 HA SER A 86 -0.866 -4.039 -7.727 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.697 -1.191 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.617 -2.282 -7.081 1.00 0.00 H new ATOM 0 HG SER A 86 0.590 -1.487 -9.040 1.00 0.00 H new ATOM 1488 N ASP A 87 -0.626 -3.756 -5.082 1.00 0.00 N ATOM 1489 CA ASP A 87 -0.692 -4.118 -3.658 1.00 0.00 C ATOM 1490 C ASP A 87 -1.570 -3.216 -2.786 1.00 0.00 C ATOM 1491 O ASP A 87 -2.697 -3.593 -2.450 1.00 0.00 O ATOM 1492 CB ASP A 87 0.722 -4.181 -3.080 1.00 0.00 C ATOM 1493 CG ASP A 87 1.610 -3.107 -3.668 1.00 0.00 C ATOM 1494 OD1 ASP A 87 2.166 -3.331 -4.766 1.00 0.00 O ATOM 1495 OD2 ASP A 87 1.710 -2.022 -3.062 1.00 0.00 O ATOM 0 H ASP A 87 0.328 -3.745 -5.443 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.179 -5.093 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.679 -4.066 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.154 -5.161 -3.280 1.00 0.00 H new ATOM 1500 N ASN A 88 -1.060 -2.032 -2.404 1.00 0.00 N ATOM 1501 CA ASN A 88 -1.812 -1.106 -1.536 1.00 0.00 C ATOM 1502 C ASN A 88 -3.161 -0.694 -2.118 1.00 0.00 C ATOM 1503 O ASN A 88 -3.983 -0.101 -1.426 1.00 0.00 O ATOM 1504 CB ASN A 88 -0.994 0.121 -1.073 1.00 0.00 C ATOM 1505 CG ASN A 88 -0.669 0.081 0.423 1.00 0.00 C ATOM 1506 OD1 ASN A 88 -0.337 -0.978 0.960 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -0.766 1.222 1.123 1.00 0.00 N ATOM 0 H ASN A 88 -0.138 -1.695 -2.680 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.019 -1.690 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.065 0.170 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.552 1.030 -1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.563 1.226 2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.043 2.085 0.655 1.00 0.00 H new ATOM 1514 N ASN A 89 -3.396 -1.007 -3.385 1.00 0.00 N ATOM 1515 CA ASN A 89 -4.666 -0.678 -4.015 1.00 0.00 C ATOM 1516 C ASN A 89 -5.668 -1.816 -3.841 1.00 0.00 C ATOM 1517 O ASN A 89 -6.825 -1.583 -3.478 1.00 0.00 O ATOM 1518 CB ASN A 89 -4.494 -0.338 -5.494 1.00 0.00 C ATOM 1519 CG ASN A 89 -5.744 0.288 -6.088 1.00 0.00 C ATOM 1520 OD1 ASN A 89 -6.634 -0.408 -6.575 1.00 0.00 O ATOM 1521 ND2 ASN A 89 -5.818 1.612 -6.053 1.00 0.00 N ATOM 0 H ASN A 89 -2.730 -1.484 -3.992 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.055 0.209 -3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.655 0.348 -5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.246 -1.244 -6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.634 2.088 -6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.059 2.154 -5.640 1.00 0.00 H new ATOM 1528 N ILE A 90 -5.218 -3.045 -4.094 1.00 0.00 N ATOM 1529 CA ILE A 90 -6.075 -4.221 -3.960 1.00 0.00 C ATOM 1530 C ILE A 90 -6.388 -4.486 -2.494 1.00 0.00 C ATOM 1531 O ILE A 90 -7.535 -4.729 -2.138 1.00 0.00 O ATOM 1532 CB ILE A 90 -5.451 -5.491 -4.586 1.00 0.00 C ATOM 1533 CG1 ILE A 90 -5.197 -5.289 -6.082 1.00 0.00 C ATOM 1534 CG2 ILE A 90 -6.362 -6.693 -4.366 1.00 0.00 C ATOM 1535 CD1 ILE A 90 -4.495 -6.453 -6.749 1.00 0.00 C ATOM 0 H ILE A 90 -4.265 -3.251 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.992 -3.999 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.496 -5.679 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.150 -5.118 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.598 -4.389 -6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.910 -7.579 -4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.499 -6.855 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.330 -6.506 -4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.351 -6.233 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.526 -6.612 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.102 -7.352 -6.644 1.00 0.00 H new ATOM 1547 N ARG A 91 -5.362 -4.430 -1.649 1.00 0.00 N ATOM 1548 CA ARG A 91 -5.536 -4.655 -0.216 1.00 0.00 C ATOM 1549 C ARG A 91 -6.564 -3.679 0.350 1.00 0.00 C ATOM 1550 O ARG A 91 -7.480 -4.075 1.075 1.00 0.00 O ATOM 1551 CB ARG A 91 -4.190 -4.529 0.519 1.00 0.00 C ATOM 1552 CG ARG A 91 -4.279 -4.179 2.005 1.00 0.00 C ATOM 1553 CD ARG A 91 -5.052 -5.221 2.804 1.00 0.00 C ATOM 1554 NE ARG A 91 -4.287 -6.447 3.022 1.00 0.00 N ATOM 1555 CZ ARG A 91 -4.657 -7.408 3.870 1.00 0.00 C ATOM 1556 NH1 ARG A 91 -5.776 -7.285 4.570 1.00 0.00 N ATOM 1557 NH2 ARG A 91 -3.910 -8.492 4.021 1.00 0.00 N ATOM 0 H ARG A 91 -4.402 -4.231 -1.931 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.907 -5.668 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.651 -5.471 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.594 -3.766 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.273 -4.085 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.761 -3.208 2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.334 -4.798 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.976 -5.463 2.279 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.422 -6.575 2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.357 -6.454 4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.056 -8.022 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.047 -8.595 3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.198 -9.223 4.671 1.00 0.00 H new ATOM 1571 N ASN A 92 -6.413 -2.411 -0.006 1.00 0.00 N ATOM 1572 CA ASN A 92 -7.327 -1.369 0.449 1.00 0.00 C ATOM 1573 C ASN A 92 -8.741 -1.664 -0.027 1.00 0.00 C ATOM 1574 O ASN A 92 -9.692 -1.628 0.751 1.00 0.00 O ATOM 1575 CB ASN A 92 -6.896 -0.007 -0.101 1.00 0.00 C ATOM 1576 CG ASN A 92 -6.059 0.812 0.863 1.00 0.00 C ATOM 1577 OD1 ASN A 92 -5.233 0.282 1.606 1.00 0.00 O ATOM 1578 ND2 ASN A 92 -6.271 2.120 0.853 1.00 0.00 N ATOM 0 H ASN A 92 -5.663 -2.077 -0.611 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.303 -1.349 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.328 -0.161 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.786 0.563 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.740 2.728 1.477 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.965 2.519 0.221 1.00 0.00 H new ATOM 1585 N ARG A 93 -8.864 -1.978 -1.313 1.00 0.00 N ATOM 1586 CA ARG A 93 -10.156 -2.262 -1.921 1.00 0.00 C ATOM 1587 C ARG A 93 -10.784 -3.558 -1.422 1.00 0.00 C ATOM 1588 O ARG A 93 -12.002 -3.658 -1.339 1.00 0.00 O ATOM 1589 CB ARG A 93 -10.057 -2.245 -3.448 1.00 0.00 C ATOM 1590 CG ARG A 93 -10.814 -1.100 -4.107 1.00 0.00 C ATOM 1591 CD ARG A 93 -10.542 0.231 -3.417 1.00 0.00 C ATOM 1592 NE ARG A 93 -9.152 0.668 -3.566 1.00 0.00 N ATOM 1593 CZ ARG A 93 -8.715 1.877 -3.209 1.00 0.00 C ATOM 1594 NH1 ARG A 93 -9.543 2.744 -2.637 1.00 0.00 N ATOM 1595 NH2 ARG A 93 -7.446 2.214 -3.408 1.00 0.00 N ATOM 0 H ARG A 93 -8.076 -2.042 -1.958 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.827 -1.462 -1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.007 -2.183 -3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.438 -3.189 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.527 -1.031 -5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.883 -1.310 -4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.205 0.992 -3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.780 0.142 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.481 0.012 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.516 2.486 -2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.206 3.668 -2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.802 1.548 -3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.115 3.139 -3.134 1.00 0.00 H new ATOM 1609 N TRP A 94 -9.959 -4.546 -1.093 1.00 0.00 N ATOM 1610 CA TRP A 94 -10.466 -5.824 -0.599 1.00 0.00 C ATOM 1611 C TRP A 94 -11.181 -5.629 0.729 1.00 0.00 C ATOM 1612 O TRP A 94 -12.294 -6.118 0.925 1.00 0.00 O ATOM 1613 CB TRP A 94 -9.339 -6.852 -0.455 1.00 0.00 C ATOM 1614 CG TRP A 94 -9.832 -8.225 -0.108 1.00 0.00 C ATOM 1615 CD1 TRP A 94 -9.748 -8.844 1.105 1.00 0.00 C ATOM 1616 CD2 TRP A 94 -10.491 -9.149 -0.984 1.00 0.00 C ATOM 1617 NE1 TRP A 94 -10.313 -10.094 1.040 1.00 0.00 N ATOM 1618 CE2 TRP A 94 -10.776 -10.304 -0.232 1.00 0.00 C ATOM 1619 CE3 TRP A 94 -10.868 -9.111 -2.329 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 -11.419 -11.411 -0.782 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 -11.506 -10.209 -2.871 1.00 0.00 C ATOM 1622 CH2 TRP A 94 -11.776 -11.343 -2.100 1.00 0.00 C ATOM 0 H TRP A 94 -8.943 -4.489 -1.158 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.177 -6.210 -1.330 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -8.778 -6.900 -1.388 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.646 -6.516 0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -9.302 -8.413 1.989 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -10.377 -10.757 1.812 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.664 -8.239 -2.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -11.628 -12.290 -0.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -11.802 -10.191 -3.910 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -12.278 -12.184 -2.555 1.00 0.00 H new ATOM 1633 N MET A 95 -10.542 -4.892 1.631 1.00 0.00 N ATOM 1634 CA MET A 95 -11.126 -4.619 2.936 1.00 0.00 C ATOM 1635 C MET A 95 -12.351 -3.728 2.765 1.00 0.00 C ATOM 1636 O MET A 95 -13.337 -3.855 3.493 1.00 0.00 O ATOM 1637 CB MET A 95 -10.096 -3.947 3.851 1.00 0.00 C ATOM 1638 CG MET A 95 -10.528 -3.829 5.307 1.00 0.00 C ATOM 1639 SD MET A 95 -9.215 -3.196 6.371 1.00 0.00 S ATOM 1640 CE MET A 95 -10.049 -3.174 7.956 1.00 0.00 C ATOM 0 H MET A 95 -9.623 -4.475 1.482 1.00 0.00 H new ATOM 0 HA MET A 95 -11.429 -5.558 3.399 1.00 0.00 H new ATOM 0 HB2 MET A 95 -9.165 -4.512 3.806 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.883 -2.950 3.466 1.00 0.00 H new ATOM 0 HG2 MET A 95 -11.394 -3.170 5.373 1.00 0.00 H new ATOM 0 HG3 MET A 95 -10.844 -4.807 5.669 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.366 -2.805 8.721 1.00 0.00 H new ATOM 0 HE2 MET A 95 -10.919 -2.520 7.900 1.00 0.00 H new ATOM 0 HE3 MET A 95 -10.370 -4.184 8.212 1.00 0.00 H new ATOM 1650 N MET A 96 -12.278 -2.846 1.777 1.00 0.00 N ATOM 1651 CA MET A 96 -13.365 -1.927 1.471 1.00 0.00 C ATOM 1652 C MET A 96 -14.584 -2.680 0.940 1.00 0.00 C ATOM 1653 O MET A 96 -15.696 -2.509 1.443 1.00 0.00 O ATOM 1654 CB MET A 96 -12.891 -0.903 0.436 1.00 0.00 C ATOM 1655 CG MET A 96 -13.993 -0.047 -0.165 1.00 0.00 C ATOM 1656 SD MET A 96 -13.679 0.350 -1.896 1.00 0.00 S ATOM 1657 CE MET A 96 -15.124 1.338 -2.270 1.00 0.00 C ATOM 0 H MET A 96 -11.466 -2.748 1.167 1.00 0.00 H new ATOM 0 HA MET A 96 -13.656 -1.414 2.388 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.156 -0.248 0.904 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.380 -1.431 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 96 -14.945 -0.571 -0.081 1.00 0.00 H new ATOM 0 HG3 MET A 96 -14.086 0.876 0.407 1.00 0.00 H new ATOM 0 HE1 MET A 96 -15.083 1.664 -3.309 1.00 0.00 H new ATOM 0 HE2 MET A 96 -16.023 0.742 -2.112 1.00 0.00 H new ATOM 0 HE3 MET A 96 -15.147 2.210 -1.617 1.00 0.00 H new ATOM 1667 N ILE A 97 -14.367 -3.525 -0.062 1.00 0.00 N ATOM 1668 CA ILE A 97 -15.452 -4.293 -0.666 1.00 0.00 C ATOM 1669 C ILE A 97 -16.025 -5.318 0.312 1.00 0.00 C ATOM 1670 O ILE A 97 -17.219 -5.621 0.277 1.00 0.00 O ATOM 1671 CB ILE A 97 -15.034 -4.970 -1.998 1.00 0.00 C ATOM 1672 CG1 ILE A 97 -16.266 -5.309 -2.845 1.00 0.00 C ATOM 1673 CG2 ILE A 97 -14.190 -6.214 -1.762 1.00 0.00 C ATOM 1674 CD1 ILE A 97 -17.018 -4.095 -3.347 1.00 0.00 C ATOM 0 H ILE A 97 -13.450 -3.696 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 97 -16.238 -3.577 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 97 -14.419 -4.255 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -15.953 -5.909 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -16.943 -5.925 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -13.919 -6.657 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.285 -5.942 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -14.761 -6.935 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -17.876 -4.417 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -17.363 -3.504 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -16.358 -3.489 -3.967 1.00 0.00 H new ATOM 1686 N ALA A 98 -15.175 -5.824 1.205 1.00 0.00 N ATOM 1687 CA ALA A 98 -15.596 -6.807 2.195 1.00 0.00 C ATOM 1688 C ALA A 98 -16.622 -6.207 3.149 1.00 0.00 C ATOM 1689 O ALA A 98 -17.502 -6.906 3.647 1.00 0.00 O ATOM 1690 CB ALA A 98 -14.396 -7.335 2.968 1.00 0.00 C ATOM 0 H ALA A 98 -14.189 -5.567 1.261 1.00 0.00 H new ATOM 0 HA ALA A 98 -16.063 -7.640 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.730 -8.068 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.697 -7.806 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -13.900 -6.509 3.479 1.00 0.00 H new ATOM 1696 N ARG A 99 -16.517 -4.902 3.380 1.00 0.00 N ATOM 1697 CA ARG A 99 -17.437 -4.204 4.271 1.00 0.00 C ATOM 1698 C ARG A 99 -18.854 -4.218 3.704 1.00 0.00 C ATOM 1699 O ARG A 99 -19.837 -4.162 4.446 1.00 0.00 O ATOM 1700 CB ARG A 99 -16.968 -2.764 4.495 1.00 0.00 C ATOM 1701 CG ARG A 99 -17.693 -2.039 5.618 1.00 0.00 C ATOM 1702 CD ARG A 99 -17.137 -0.638 5.823 1.00 0.00 C ATOM 1703 NE ARG A 99 -17.749 0.030 6.970 1.00 0.00 N ATOM 1704 CZ ARG A 99 -17.982 1.344 7.031 1.00 0.00 C ATOM 1705 NH1 ARG A 99 -17.645 2.128 6.015 1.00 0.00 N ATOM 1706 NH2 ARG A 99 -18.545 1.872 8.113 1.00 0.00 N ATOM 0 H ARG A 99 -15.803 -4.306 2.962 1.00 0.00 H new ATOM 0 HA ARG A 99 -17.447 -4.723 5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -15.900 -2.772 4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -17.101 -2.203 3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -18.757 -1.980 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -17.598 -2.609 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.058 -0.694 5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.307 -0.045 4.924 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.014 -0.542 7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.207 1.728 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.824 3.131 6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -18.800 1.274 8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -18.722 2.876 8.158 1.00 0.00 H new ATOM 1720 N HIS A 100 -18.950 -4.297 2.383 1.00 0.00 N ATOM 1721 CA HIS A 100 -20.241 -4.326 1.708 1.00 0.00 C ATOM 1722 C HIS A 100 -20.673 -5.765 1.444 1.00 0.00 C ATOM 1723 O HIS A 100 -21.856 -6.092 1.520 1.00 0.00 O ATOM 1724 CB HIS A 100 -20.168 -3.547 0.390 1.00 0.00 C ATOM 1725 CG HIS A 100 -21.500 -3.312 -0.256 1.00 0.00 C ATOM 1726 ND1 HIS A 100 -21.992 -4.094 -1.281 1.00 0.00 N ATOM 1727 CD2 HIS A 100 -22.449 -2.378 -0.009 1.00 0.00 C ATOM 1728 CE1 HIS A 100 -23.185 -3.651 -1.635 1.00 0.00 C ATOM 1729 NE2 HIS A 100 -23.485 -2.611 -0.878 1.00 0.00 N ATOM 0 H HIS A 100 -18.147 -4.342 1.756 1.00 0.00 H new ATOM 0 HA HIS A 100 -20.980 -3.854 2.355 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -19.691 -2.585 0.575 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -19.529 -4.091 -0.306 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -22.400 -1.595 0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -23.809 -4.068 -2.411 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -24.347 -2.069 -0.931 1.00 0.00 H new ATOM 1738 N ARG A 101 -19.701 -6.617 1.137 1.00 0.00 N ATOM 1739 CA ARG A 101 -19.956 -8.028 0.854 1.00 0.00 C ATOM 1740 C ARG A 101 -20.462 -8.760 2.095 1.00 0.00 C ATOM 1741 O ARG A 101 -21.346 -9.613 2.009 1.00 0.00 O ATOM 1742 CB ARG A 101 -18.675 -8.691 0.334 1.00 0.00 C ATOM 1743 CG ARG A 101 -18.806 -10.172 0.006 1.00 0.00 C ATOM 1744 CD ARG A 101 -19.310 -10.397 -1.412 1.00 0.00 C ATOM 1745 NE ARG A 101 -20.739 -10.115 -1.549 1.00 0.00 N ATOM 1746 CZ ARG A 101 -21.697 -11.038 -1.443 1.00 0.00 C ATOM 1747 NH1 ARG A 101 -21.383 -12.300 -1.165 1.00 0.00 N ATOM 1748 NH2 ARG A 101 -22.968 -10.696 -1.615 1.00 0.00 N ATOM 0 H ARG A 101 -18.718 -6.352 1.077 1.00 0.00 H new ATOM 0 HA ARG A 101 -20.732 -8.089 0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -18.348 -8.163 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -17.891 -8.567 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -17.838 -10.658 0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -19.490 -10.641 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -18.750 -9.762 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -19.117 -11.429 -1.703 1.00 0.00 H new ATOM 0 HE ARG A 101 -21.021 -9.153 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -20.407 -12.565 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -22.118 -13.003 -1.085 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -23.212 -9.729 -1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -23.701 -11.401 -1.534 1.00 0.00 H new ATOM 1762 N ALA A 102 -19.896 -8.416 3.246 1.00 0.00 N ATOM 1763 CA ALA A 102 -20.278 -9.037 4.513 1.00 0.00 C ATOM 1764 C ALA A 102 -21.675 -8.629 4.983 1.00 0.00 C ATOM 1765 O ALA A 102 -22.125 -9.072 6.044 1.00 0.00 O ATOM 1766 CB ALA A 102 -19.245 -8.744 5.590 1.00 0.00 C ATOM 0 H ALA A 102 -19.167 -7.707 3.330 1.00 0.00 H new ATOM 0 HA ALA A 102 -20.311 -10.111 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -19.550 -9.216 6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -18.277 -9.139 5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -19.167 -7.667 5.736 1.00 0.00 H new ATOM 1772 N LYS A 103 -22.358 -7.798 4.195 1.00 0.00 N ATOM 1773 CA LYS A 103 -23.708 -7.335 4.525 1.00 0.00 C ATOM 1774 C LYS A 103 -23.746 -6.497 5.804 1.00 0.00 C ATOM 1775 O LYS A 103 -22.706 -6.095 6.328 1.00 0.00 O ATOM 1776 CB LYS A 103 -24.689 -8.512 4.610 1.00 0.00 C ATOM 1777 CG LYS A 103 -25.072 -9.106 3.264 1.00 0.00 C ATOM 1778 CD LYS A 103 -25.922 -8.137 2.456 1.00 0.00 C ATOM 1779 CE LYS A 103 -26.452 -8.786 1.189 1.00 0.00 C ATOM 1780 NZ LYS A 103 -27.359 -9.929 1.481 1.00 0.00 N ATOM 0 H LYS A 103 -21.995 -7.429 3.316 1.00 0.00 H new ATOM 0 HA LYS A 103 -24.022 -6.681 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -24.247 -9.294 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -25.594 -8.179 5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -24.171 -9.357 2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -25.621 -10.035 3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -26.757 -7.789 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -25.329 -7.260 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -26.986 -8.042 0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -25.615 -9.134 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -27.915 -10.156 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -26.795 -10.758 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -28.002 -9.673 2.258 1.00 0.00 H new ATOM 1794 N HIS A 104 -24.949 -6.239 6.301 1.00 0.00 N ATOM 1795 CA HIS A 104 -25.133 -5.444 7.511 1.00 0.00 C ATOM 1796 C HIS A 104 -26.339 -5.924 8.315 1.00 0.00 C ATOM 1797 O HIS A 104 -27.485 -5.612 7.986 1.00 0.00 O ATOM 1798 CB HIS A 104 -25.256 -3.942 7.189 1.00 0.00 C ATOM 1799 CG HIS A 104 -26.119 -3.618 6.003 1.00 0.00 C ATOM 1800 ND1 HIS A 104 -27.482 -3.827 5.976 1.00 0.00 N ATOM 1801 CD2 HIS A 104 -25.800 -3.101 4.794 1.00 0.00 C ATOM 1802 CE1 HIS A 104 -27.960 -3.453 4.804 1.00 0.00 C ATOM 1803 NE2 HIS A 104 -26.961 -3.009 4.069 1.00 0.00 N ATOM 0 H HIS A 104 -25.818 -6.571 5.882 1.00 0.00 H new ATOM 0 HA HIS A 104 -24.242 -5.582 8.124 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -25.658 -3.430 8.063 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -24.258 -3.540 7.015 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -28.035 -4.211 6.743 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -24.814 -2.814 4.461 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -28.995 -3.503 4.499 1.00 0.00 H new ATOM 1812 N GLN A 105 -26.079 -6.692 9.364 1.00 0.00 N ATOM 1813 CA GLN A 105 -27.151 -7.204 10.212 1.00 0.00 C ATOM 1814 C GLN A 105 -27.763 -6.079 11.038 1.00 0.00 C ATOM 1815 O GLN A 105 -27.060 -5.150 11.447 1.00 0.00 O ATOM 1816 CB GLN A 105 -26.645 -8.323 11.123 1.00 0.00 C ATOM 1817 CG GLN A 105 -26.418 -9.648 10.411 1.00 0.00 C ATOM 1818 CD GLN A 105 -25.891 -10.732 11.333 1.00 0.00 C ATOM 1819 OE1 GLN A 105 -25.056 -10.349 12.286 1.00 0.00 O flip ATOM 1820 NE2 GLN A 105 -26.218 -11.912 11.175 1.00 0.00 N flip ATOM 0 H GLN A 105 -25.141 -6.974 9.649 1.00 0.00 H new ATOM 0 HA GLN A 105 -27.923 -7.619 9.564 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -25.710 -8.006 11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -27.363 -8.474 11.929 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -27.356 -9.981 9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -25.713 -9.499 9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -26.865 -12.166 10.428 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -25.842 -12.632 11.791 1.00 0.00 H new ATOM 1829 N LYS A 106 -29.063 -6.161 11.286 1.00 0.00 N ATOM 1830 CA LYS A 106 -29.761 -5.139 12.050 1.00 0.00 C ATOM 1831 C LYS A 106 -31.047 -5.709 12.635 1.00 0.00 C ATOM 1832 O LYS A 106 -31.222 -5.747 13.850 1.00 0.00 O ATOM 1833 CB LYS A 106 -30.077 -3.934 11.159 1.00 0.00 C ATOM 1834 CG LYS A 106 -30.522 -2.694 11.916 1.00 0.00 C ATOM 1835 CD LYS A 106 -30.571 -1.486 10.996 1.00 0.00 C ATOM 1836 CE LYS A 106 -30.725 -0.193 11.779 1.00 0.00 C ATOM 1837 NZ LYS A 106 -32.128 0.040 12.209 1.00 0.00 N ATOM 0 H LYS A 106 -29.656 -6.927 10.968 1.00 0.00 H new ATOM 0 HA LYS A 106 -29.117 -4.812 12.866 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -29.191 -3.689 10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -30.859 -4.214 10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -31.506 -2.863 12.353 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -29.836 -2.501 12.741 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -29.659 -1.445 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -31.403 -1.592 10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -30.078 -0.222 12.656 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -30.392 0.643 11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -32.185 0.933 12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -32.743 0.095 11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -32.440 -0.744 12.817 1.00 0.00 H new ATOM 1851 N SER A 107 -31.932 -6.163 11.758 1.00 0.00 N ATOM 1852 CA SER A 107 -33.204 -6.740 12.171 1.00 0.00 C ATOM 1853 C SER A 107 -33.865 -7.428 10.986 1.00 0.00 C ATOM 1854 O SER A 107 -33.427 -7.257 9.849 1.00 0.00 O ATOM 1855 CB SER A 107 -34.127 -5.652 12.730 1.00 0.00 C ATOM 1856 OG SER A 107 -35.259 -6.217 13.369 1.00 0.00 O ATOM 1857 OXT SER A 107 -34.840 -8.158 11.160 1.00 0.00 O ATOM 0 H SER A 107 -31.790 -6.142 10.748 1.00 0.00 H new ATOM 0 HA SER A 107 -33.020 -7.475 12.955 1.00 0.00 H new ATOM 0 HB2 SER A 107 -33.577 -5.034 13.439 1.00 0.00 H new ATOM 0 HB3 SER A 107 -34.452 -4.997 11.922 1.00 0.00 H new ATOM 0 HG SER A 107 -35.461 -7.087 12.966 1.00 0.00 H new