USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 801 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 80 GLN : amide:sc= -8.63! C(o=-12!,f=-17!) USER MOD Set 1.2: A 84 GLN :FLIP amide:sc= -3.11! C(o=-18!,f=-12!) USER MOD Set 2.1: A 26 CYS SG : rot -118:sc= -4.96! USER MOD Set 2.2: A 28 HIS :FLIP no HD1:sc= 0.39 F(o=-4.1,f=-3.5) USER MOD Set 2.3: A 53 TYR OH : rot -127:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0743 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0028 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.165 K(o=-0.16,f=-1.1) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 135:sc= -0.691 (180deg=-2.38!) USER MOD Single : A 37 CYS SG : rot 180:sc= -1.32 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 111:sc= -0.201 USER MOD Single : A 52 HIS : no HD1:sc= -0.775 X(o=-0.77,f=-1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.3! C(o=-3.3!,f=-4.6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -1.43 F(o=-2.6,f=-1.4) USER MOD Single : A 78 GLN : amide:sc= 0.152 X(o=0.15,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN :FLIP amide:sc= -0.0335 F(o=-0.78,f=-0.033) USER MOD Single : A 88 GLN : amide:sc= -0.937 K(o=-0.94,f=-1.8) USER MOD Single : A 90 GLN : amide:sc= -1.12 K(o=-1.1,f=-5!) USER MOD Single : A 91 TYR OH : rot 91:sc= 0.242 USER MOD Single : A 95 LYS NZ :NH3+ -114:sc= -0.211 (180deg=-1.54) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.761 11.093 -16.400 1.00 0.00 N ATOM 2 CA GLY A 1 5.205 10.996 -16.291 1.00 0.00 C ATOM 3 C GLY A 1 5.685 11.074 -14.855 1.00 0.00 C ATOM 4 O GLY A 1 4.928 11.451 -13.961 1.00 0.00 O ATOM 0 H1 GLY A 1 3.395 10.262 -16.907 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.343 11.130 -15.449 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.510 11.956 -16.922 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.537 10.056 -16.731 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.665 11.798 -16.868 1.00 0.00 H new ATOM 8 N SER A 2 6.945 10.716 -14.634 1.00 0.00 N ATOM 9 CA SER A 2 7.523 10.743 -13.295 1.00 0.00 C ATOM 10 C SER A 2 7.785 12.177 -12.844 1.00 0.00 C ATOM 11 O SER A 2 8.235 13.013 -13.627 1.00 0.00 O ATOM 12 CB SER A 2 8.826 9.941 -13.263 1.00 0.00 C ATOM 13 OG SER A 2 9.298 9.787 -11.936 1.00 0.00 O ATOM 0 H SER A 2 7.585 10.404 -15.364 1.00 0.00 H new ATOM 0 HA SER A 2 6.808 10.290 -12.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.664 8.960 -13.711 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.582 10.445 -13.865 1.00 0.00 H new ATOM 0 HG SER A 2 10.130 9.270 -11.943 1.00 0.00 H new ATOM 19 N SER A 3 7.499 12.453 -11.576 1.00 0.00 N ATOM 20 CA SER A 3 7.699 13.786 -11.020 1.00 0.00 C ATOM 21 C SER A 3 8.995 13.851 -10.217 1.00 0.00 C ATOM 22 O SER A 3 9.227 13.037 -9.324 1.00 0.00 O ATOM 23 CB SER A 3 6.516 14.174 -10.132 1.00 0.00 C ATOM 24 OG SER A 3 6.585 15.539 -9.757 1.00 0.00 O ATOM 0 H SER A 3 7.128 11.771 -10.914 1.00 0.00 H new ATOM 0 HA SER A 3 7.769 14.491 -11.848 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.582 13.986 -10.662 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.507 13.549 -9.239 1.00 0.00 H new ATOM 0 HG SER A 3 5.817 15.762 -9.191 1.00 0.00 H new ATOM 30 N GLY A 4 9.837 14.827 -10.543 1.00 0.00 N ATOM 31 CA GLY A 4 11.099 14.982 -9.843 1.00 0.00 C ATOM 32 C GLY A 4 11.699 16.362 -10.027 1.00 0.00 C ATOM 33 O GLY A 4 11.328 17.090 -10.948 1.00 0.00 O ATOM 0 H GLY A 4 9.668 15.513 -11.279 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.947 14.794 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.804 14.232 -10.201 1.00 0.00 H new ATOM 37 N SER A 5 12.627 16.724 -9.147 1.00 0.00 N ATOM 38 CA SER A 5 13.275 18.029 -9.213 1.00 0.00 C ATOM 39 C SER A 5 14.410 18.123 -8.199 1.00 0.00 C ATOM 40 O SER A 5 14.455 17.367 -7.228 1.00 0.00 O ATOM 41 CB SER A 5 12.256 19.141 -8.960 1.00 0.00 C ATOM 42 OG SER A 5 12.834 20.419 -9.165 1.00 0.00 O ATOM 0 H SER A 5 12.947 16.132 -8.380 1.00 0.00 H new ATOM 0 HA SER A 5 13.693 18.150 -10.212 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.402 19.014 -9.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.879 19.068 -7.940 1.00 0.00 H new ATOM 0 HG SER A 5 12.162 21.113 -8.999 1.00 0.00 H new ATOM 48 N SER A 6 15.327 19.057 -8.431 1.00 0.00 N ATOM 49 CA SER A 6 16.465 19.250 -7.540 1.00 0.00 C ATOM 50 C SER A 6 16.823 20.728 -7.426 1.00 0.00 C ATOM 51 O SER A 6 17.159 21.376 -8.417 1.00 0.00 O ATOM 52 CB SER A 6 17.674 18.459 -8.045 1.00 0.00 C ATOM 53 OG SER A 6 18.721 18.463 -7.091 1.00 0.00 O ATOM 0 H SER A 6 15.304 19.692 -9.229 1.00 0.00 H new ATOM 0 HA SER A 6 16.186 18.885 -6.552 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.377 17.432 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.029 18.890 -8.981 1.00 0.00 H new ATOM 0 HG SER A 6 19.481 17.950 -7.437 1.00 0.00 H new ATOM 59 N GLY A 7 16.747 21.257 -6.209 1.00 0.00 N ATOM 60 CA GLY A 7 17.064 22.656 -5.986 1.00 0.00 C ATOM 61 C GLY A 7 16.872 23.071 -4.541 1.00 0.00 C ATOM 62 O GLY A 7 15.996 22.551 -3.851 1.00 0.00 O ATOM 0 H GLY A 7 16.471 20.742 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.097 22.843 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.434 23.274 -6.625 1.00 0.00 H new ATOM 66 N MET A 8 17.694 24.009 -4.082 1.00 0.00 N ATOM 67 CA MET A 8 17.610 24.493 -2.709 1.00 0.00 C ATOM 68 C MET A 8 16.373 25.364 -2.514 1.00 0.00 C ATOM 69 O MET A 8 16.067 26.218 -3.347 1.00 0.00 O ATOM 70 CB MET A 8 18.868 25.284 -2.347 1.00 0.00 C ATOM 71 CG MET A 8 19.117 26.478 -3.254 1.00 0.00 C ATOM 72 SD MET A 8 18.329 27.984 -2.652 1.00 0.00 S ATOM 73 CE MET A 8 17.877 28.770 -4.197 1.00 0.00 C ATOM 0 H MET A 8 18.425 24.449 -4.640 1.00 0.00 H new ATOM 0 HA MET A 8 17.531 23.629 -2.050 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.785 25.631 -1.317 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.731 24.619 -2.390 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.191 26.645 -3.342 1.00 0.00 H new ATOM 0 HG3 MET A 8 18.746 26.253 -4.254 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.378 29.717 -3.991 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.774 28.954 -4.788 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.203 28.118 -4.753 1.00 0.00 H new ATOM 83 N ALA A 9 15.667 25.143 -1.411 1.00 0.00 N ATOM 84 CA ALA A 9 14.465 25.910 -1.107 1.00 0.00 C ATOM 85 C ALA A 9 14.210 25.959 0.396 1.00 0.00 C ATOM 86 O ALA A 9 14.608 25.068 1.147 1.00 0.00 O ATOM 87 CB ALA A 9 13.264 25.316 -1.829 1.00 0.00 C ATOM 0 H ALA A 9 15.906 24.439 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 9 14.617 26.931 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.373 25.898 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.438 25.339 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.119 24.285 -1.507 1.00 0.00 H new ATOM 93 N PRO A 10 13.532 27.025 0.847 1.00 0.00 N ATOM 94 CA PRO A 10 13.210 27.215 2.265 1.00 0.00 C ATOM 95 C PRO A 10 12.168 26.219 2.761 1.00 0.00 C ATOM 96 O PRO A 10 11.637 25.421 1.987 1.00 0.00 O ATOM 97 CB PRO A 10 12.653 28.640 2.313 1.00 0.00 C ATOM 98 CG PRO A 10 12.128 28.889 0.941 1.00 0.00 C ATOM 99 CD PRO A 10 13.028 28.125 0.009 1.00 0.00 C ATOM 0 HA PRO A 10 14.078 27.060 2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.865 28.732 3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.428 29.359 2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.096 28.551 0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.137 29.954 0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.484 27.752 -0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.839 28.748 -0.367 1.00 0.00 H new ATOM 107 N LYS A 11 11.878 26.269 4.057 1.00 0.00 N ATOM 108 CA LYS A 11 10.897 25.373 4.657 1.00 0.00 C ATOM 109 C LYS A 11 9.712 25.157 3.722 1.00 0.00 C ATOM 110 O LYS A 11 9.272 26.082 3.041 1.00 0.00 O ATOM 111 CB LYS A 11 10.409 25.938 5.993 1.00 0.00 C ATOM 112 CG LYS A 11 9.483 27.133 5.846 1.00 0.00 C ATOM 113 CD LYS A 11 8.825 27.495 7.167 1.00 0.00 C ATOM 114 CE LYS A 11 9.717 28.399 8.004 1.00 0.00 C ATOM 115 NZ LYS A 11 8.928 29.231 8.954 1.00 0.00 N ATOM 0 H LYS A 11 12.309 26.921 4.712 1.00 0.00 H new ATOM 0 HA LYS A 11 11.380 24.411 4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.890 25.152 6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.272 26.229 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.047 27.988 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.715 26.910 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.875 27.994 6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.601 26.586 7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.431 27.791 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.295 29.048 7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.572 29.833 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.264 29.830 8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.396 28.612 9.598 1.00 0.00 H new ATOM 129 N GLN A 12 9.201 23.930 3.695 1.00 0.00 N ATOM 130 CA GLN A 12 8.066 23.594 2.843 1.00 0.00 C ATOM 131 C GLN A 12 7.594 22.167 3.102 1.00 0.00 C ATOM 132 O GLN A 12 8.262 21.398 3.793 1.00 0.00 O ATOM 133 CB GLN A 12 8.441 23.760 1.369 1.00 0.00 C ATOM 134 CG GLN A 12 9.491 22.769 0.893 1.00 0.00 C ATOM 135 CD GLN A 12 9.966 23.055 -0.518 1.00 0.00 C ATOM 136 OE1 GLN A 12 10.418 24.159 -0.822 1.00 0.00 O ATOM 137 NE2 GLN A 12 9.866 22.058 -1.389 1.00 0.00 N ATOM 0 H GLN A 12 9.555 23.153 4.253 1.00 0.00 H new ATOM 0 HA GLN A 12 7.250 24.276 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.544 23.647 0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.810 24.773 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.344 22.795 1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.080 21.761 0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.485 21.159 -1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.170 22.191 -2.353 1.00 0.00 H new ATOM 146 N ASP A 13 6.440 21.821 2.544 1.00 0.00 N ATOM 147 CA ASP A 13 5.879 20.486 2.714 1.00 0.00 C ATOM 148 C ASP A 13 6.975 19.426 2.674 1.00 0.00 C ATOM 149 O ASP A 13 8.016 19.598 2.039 1.00 0.00 O ATOM 150 CB ASP A 13 4.840 20.204 1.627 1.00 0.00 C ATOM 151 CG ASP A 13 3.641 21.128 1.718 1.00 0.00 C ATOM 152 OD1 ASP A 13 2.901 21.042 2.720 1.00 0.00 O ATOM 153 OD2 ASP A 13 3.445 21.937 0.788 1.00 0.00 O ATOM 0 H ASP A 13 5.874 22.446 1.970 1.00 0.00 H new ATOM 0 HA ASP A 13 5.394 20.444 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.305 20.312 0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.505 19.170 1.708 1.00 0.00 H new ATOM 158 N PRO A 14 6.740 18.304 3.370 1.00 0.00 N ATOM 159 CA PRO A 14 7.696 17.194 3.430 1.00 0.00 C ATOM 160 C PRO A 14 7.817 16.461 2.098 1.00 0.00 C ATOM 161 O PRO A 14 6.959 16.591 1.225 1.00 0.00 O ATOM 162 CB PRO A 14 7.102 16.271 4.497 1.00 0.00 C ATOM 163 CG PRO A 14 5.642 16.570 4.486 1.00 0.00 C ATOM 164 CD PRO A 14 5.521 18.031 4.150 1.00 0.00 C ATOM 0 HA PRO A 14 8.705 17.537 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.293 15.223 4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.539 16.466 5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.123 15.956 3.750 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.192 16.354 5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.620 18.237 3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.472 18.647 5.048 1.00 0.00 H new ATOM 172 N LYS A 15 8.888 15.688 1.950 1.00 0.00 N ATOM 173 CA LYS A 15 9.121 14.931 0.726 1.00 0.00 C ATOM 174 C LYS A 15 8.882 13.441 0.952 1.00 0.00 C ATOM 175 O LYS A 15 9.226 12.885 1.995 1.00 0.00 O ATOM 176 CB LYS A 15 10.550 15.158 0.226 1.00 0.00 C ATOM 177 CG LYS A 15 10.701 16.397 -0.640 1.00 0.00 C ATOM 178 CD LYS A 15 12.105 16.510 -1.211 1.00 0.00 C ATOM 179 CE LYS A 15 12.248 15.717 -2.501 1.00 0.00 C ATOM 180 NZ LYS A 15 13.569 15.945 -3.149 1.00 0.00 N ATOM 0 H LYS A 15 9.608 15.570 2.663 1.00 0.00 H new ATOM 0 HA LYS A 15 8.417 15.283 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.217 15.241 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.870 14.285 -0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.978 16.363 -1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.475 17.285 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.339 17.558 -1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.827 16.149 -0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.126 14.655 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.452 15.998 -3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.627 15.387 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.676 16.955 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.328 15.653 -2.501 1.00 0.00 H new ATOM 194 N PRO A 16 8.280 12.779 -0.046 1.00 0.00 N ATOM 195 CA PRO A 16 7.983 11.345 0.020 1.00 0.00 C ATOM 196 C PRO A 16 9.243 10.489 -0.041 1.00 0.00 C ATOM 197 O PRO A 16 10.320 10.975 -0.388 1.00 0.00 O ATOM 198 CB PRO A 16 7.113 11.105 -1.216 1.00 0.00 C ATOM 199 CG PRO A 16 7.498 12.186 -2.166 1.00 0.00 C ATOM 200 CD PRO A 16 7.842 13.379 -1.318 1.00 0.00 C ATOM 0 HA PRO A 16 7.499 11.072 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.296 10.119 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.052 11.154 -0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.348 11.884 -2.777 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.680 12.415 -2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.630 13.980 -1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.982 14.034 -1.178 1.00 0.00 H new ATOM 208 N LYS A 17 9.102 9.212 0.298 1.00 0.00 N ATOM 209 CA LYS A 17 10.229 8.286 0.280 1.00 0.00 C ATOM 210 C LYS A 17 10.062 7.247 -0.824 1.00 0.00 C ATOM 211 O LYS A 17 10.996 6.971 -1.577 1.00 0.00 O ATOM 212 CB LYS A 17 10.364 7.589 1.635 1.00 0.00 C ATOM 213 CG LYS A 17 10.698 8.535 2.776 1.00 0.00 C ATOM 214 CD LYS A 17 10.648 7.828 4.120 1.00 0.00 C ATOM 215 CE LYS A 17 11.971 7.152 4.444 1.00 0.00 C ATOM 216 NZ LYS A 17 12.110 6.875 5.901 1.00 0.00 N ATOM 0 H LYS A 17 8.218 8.794 0.589 1.00 0.00 H new ATOM 0 HA LYS A 17 11.135 8.859 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.431 7.073 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.141 6.827 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.692 8.956 2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.996 9.369 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.405 8.547 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.851 7.085 4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.047 6.218 3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.794 7.787 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.025 6.414 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.063 7.769 6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.340 6.248 6.210 1.00 0.00 H new ATOM 230 N PHE A 18 8.866 6.675 -0.916 1.00 0.00 N ATOM 231 CA PHE A 18 8.577 5.667 -1.929 1.00 0.00 C ATOM 232 C PHE A 18 8.283 6.319 -3.277 1.00 0.00 C ATOM 233 O PHE A 18 7.883 7.480 -3.342 1.00 0.00 O ATOM 234 CB PHE A 18 7.388 4.806 -1.497 1.00 0.00 C ATOM 235 CG PHE A 18 7.525 4.249 -0.109 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.166 5.006 0.995 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.011 2.967 0.093 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.292 4.496 2.273 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.138 2.451 1.369 1.00 0.00 C ATOM 240 CZ PHE A 18 7.777 3.216 2.460 1.00 0.00 C ATOM 0 H PHE A 18 8.082 6.892 -0.301 1.00 0.00 H new ATOM 0 HA PHE A 18 9.457 5.033 -2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.478 5.403 -1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.271 3.982 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.783 6.006 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.294 2.364 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.012 5.098 3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.519 1.451 1.512 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.874 2.815 3.458 1.00 0.00 H new ATOM 250 N GLN A 19 8.487 5.562 -4.350 1.00 0.00 N ATOM 251 CA GLN A 19 8.246 6.066 -5.697 1.00 0.00 C ATOM 252 C GLN A 19 7.102 5.309 -6.365 1.00 0.00 C ATOM 253 O GLN A 19 6.790 4.180 -5.989 1.00 0.00 O ATOM 254 CB GLN A 19 9.515 5.947 -6.544 1.00 0.00 C ATOM 255 CG GLN A 19 9.872 4.514 -6.906 1.00 0.00 C ATOM 256 CD GLN A 19 11.210 4.407 -7.611 1.00 0.00 C ATOM 257 OE1 GLN A 19 11.999 5.353 -7.617 1.00 0.00 O ATOM 258 NE2 GLN A 19 11.472 3.252 -8.211 1.00 0.00 N ATOM 0 H GLN A 19 8.818 4.598 -4.313 1.00 0.00 H new ATOM 0 HA GLN A 19 7.966 7.117 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.386 6.523 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.348 6.394 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.894 3.909 -6.000 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.094 4.100 -7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.789 2.495 -8.181 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.356 3.122 -8.702 1.00 0.00 H new ATOM 267 N GLU A 20 6.482 5.940 -7.357 1.00 0.00 N ATOM 268 CA GLU A 20 5.372 5.326 -8.076 1.00 0.00 C ATOM 269 C GLU A 20 5.861 4.177 -8.953 1.00 0.00 C ATOM 270 O GLU A 20 6.806 4.330 -9.725 1.00 0.00 O ATOM 271 CB GLU A 20 4.653 6.368 -8.935 1.00 0.00 C ATOM 272 CG GLU A 20 4.038 7.501 -8.131 1.00 0.00 C ATOM 273 CD GLU A 20 3.958 8.796 -8.915 1.00 0.00 C ATOM 274 OE1 GLU A 20 2.994 8.963 -9.690 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.860 9.644 -8.752 1.00 0.00 O ATOM 0 H GLU A 20 6.729 6.875 -7.681 1.00 0.00 H new ATOM 0 HA GLU A 20 4.673 4.927 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.360 6.785 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.869 5.874 -9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.037 7.212 -7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.627 7.663 -7.229 1.00 0.00 H new ATOM 282 N GLY A 21 5.208 3.025 -8.827 1.00 0.00 N ATOM 283 CA GLY A 21 5.591 1.866 -9.613 1.00 0.00 C ATOM 284 C GLY A 21 6.374 0.851 -8.805 1.00 0.00 C ATOM 285 O GLY A 21 6.371 -0.338 -9.122 1.00 0.00 O ATOM 0 H GLY A 21 4.421 2.874 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.696 1.392 -10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.191 2.190 -10.463 1.00 0.00 H new ATOM 289 N GLU A 22 7.049 1.321 -7.761 1.00 0.00 N ATOM 290 CA GLU A 22 7.843 0.445 -6.908 1.00 0.00 C ATOM 291 C GLU A 22 6.947 -0.362 -5.973 1.00 0.00 C ATOM 292 O GLU A 22 6.178 0.201 -5.193 1.00 0.00 O ATOM 293 CB GLU A 22 8.846 1.262 -6.091 1.00 0.00 C ATOM 294 CG GLU A 22 9.552 0.458 -5.012 1.00 0.00 C ATOM 295 CD GLU A 22 10.882 1.065 -4.609 1.00 0.00 C ATOM 296 OE1 GLU A 22 11.594 1.578 -5.497 1.00 0.00 O ATOM 297 OE2 GLU A 22 11.209 1.027 -3.404 1.00 0.00 O ATOM 0 H GLU A 22 7.062 2.303 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 22 8.387 -0.248 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.592 1.684 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.326 2.100 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.908 0.389 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.714 -0.559 -5.369 1.00 0.00 H new ATOM 304 N ARG A 23 7.051 -1.685 -6.058 1.00 0.00 N ATOM 305 CA ARG A 23 6.249 -2.569 -5.221 1.00 0.00 C ATOM 306 C ARG A 23 6.441 -2.242 -3.743 1.00 0.00 C ATOM 307 O ARG A 23 7.568 -2.075 -3.275 1.00 0.00 O ATOM 308 CB ARG A 23 6.621 -4.030 -5.484 1.00 0.00 C ATOM 309 CG ARG A 23 5.770 -5.024 -4.711 1.00 0.00 C ATOM 310 CD ARG A 23 6.233 -6.453 -4.944 1.00 0.00 C ATOM 311 NE ARG A 23 5.555 -7.070 -6.081 1.00 0.00 N ATOM 312 CZ ARG A 23 6.021 -8.133 -6.726 1.00 0.00 C ATOM 313 NH1 ARG A 23 7.161 -8.696 -6.348 1.00 0.00 N ATOM 314 NH2 ARG A 23 5.347 -8.637 -7.752 1.00 0.00 N ATOM 0 H ARG A 23 7.682 -2.167 -6.698 1.00 0.00 H new ATOM 0 HA ARG A 23 5.200 -2.416 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.525 -4.234 -6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.669 -4.182 -5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.817 -4.794 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.727 -4.924 -5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.309 -6.462 -5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.048 -7.045 -4.047 1.00 0.00 H new ATOM 0 HE ARG A 23 4.675 -6.662 -6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.682 -8.312 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.516 -9.512 -6.846 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.470 -8.208 -8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.706 -9.454 -8.246 1.00 0.00 H new ATOM 328 N VAL A 24 5.334 -2.151 -3.014 1.00 0.00 N ATOM 329 CA VAL A 24 5.380 -1.845 -1.589 1.00 0.00 C ATOM 330 C VAL A 24 4.250 -2.543 -0.840 1.00 0.00 C ATOM 331 O VAL A 24 3.275 -2.992 -1.443 1.00 0.00 O ATOM 332 CB VAL A 24 5.287 -0.328 -1.338 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.438 0.398 -2.020 1.00 0.00 C ATOM 334 CG2 VAL A 24 3.948 0.210 -1.818 1.00 0.00 C ATOM 0 H VAL A 24 4.394 -2.285 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 24 6.338 -2.210 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 24 5.361 -0.150 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.356 1.468 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.385 0.032 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.399 0.214 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.900 1.283 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.842 0.021 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.142 -0.288 -1.279 1.00 0.00 H new ATOM 344 N LEU A 25 4.387 -2.629 0.478 1.00 0.00 N ATOM 345 CA LEU A 25 3.378 -3.272 1.312 1.00 0.00 C ATOM 346 C LEU A 25 2.585 -2.237 2.104 1.00 0.00 C ATOM 347 O LEU A 25 3.161 -1.360 2.748 1.00 0.00 O ATOM 348 CB LEU A 25 4.036 -4.268 2.269 1.00 0.00 C ATOM 349 CG LEU A 25 4.900 -5.350 1.621 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.785 -6.020 2.660 1.00 0.00 C ATOM 351 CD2 LEU A 25 4.027 -6.379 0.917 1.00 0.00 C ATOM 0 H LEU A 25 5.187 -2.261 0.993 1.00 0.00 H new ATOM 0 HA LEU A 25 2.690 -3.807 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.654 -3.711 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.253 -4.756 2.849 1.00 0.00 H new ATOM 0 HG LEU A 25 5.542 -4.878 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.393 -6.787 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.436 -5.275 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.162 -6.478 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.659 -7.142 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.359 -6.846 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.437 -5.887 0.144 1.00 0.00 H new ATOM 363 N CYS A 26 1.263 -2.346 2.052 1.00 0.00 N ATOM 364 CA CYS A 26 0.390 -1.420 2.766 1.00 0.00 C ATOM 365 C CYS A 26 -0.388 -2.141 3.862 1.00 0.00 C ATOM 366 O CYS A 26 -0.759 -3.305 3.710 1.00 0.00 O ATOM 367 CB CYS A 26 -0.579 -0.747 1.793 1.00 0.00 C ATOM 368 SG CYS A 26 -2.070 -0.088 2.574 1.00 0.00 S ATOM 0 H CYS A 26 0.771 -3.066 1.523 1.00 0.00 H new ATOM 0 HA CYS A 26 1.014 -0.657 3.231 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.060 0.065 1.283 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.870 -1.469 1.030 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.116 -0.690 2.090 1.00 0.00 H new ATOM 374 N PHE A 27 -0.631 -1.442 4.965 1.00 0.00 N ATOM 375 CA PHE A 27 -1.363 -2.016 6.088 1.00 0.00 C ATOM 376 C PHE A 27 -2.868 -1.858 5.894 1.00 0.00 C ATOM 377 O PHE A 27 -3.411 -0.760 6.023 1.00 0.00 O ATOM 378 CB PHE A 27 -0.934 -1.351 7.398 1.00 0.00 C ATOM 379 CG PHE A 27 0.222 -2.037 8.067 1.00 0.00 C ATOM 380 CD1 PHE A 27 0.057 -3.273 8.672 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.475 -1.445 8.093 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.119 -3.906 9.288 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.541 -2.074 8.708 1.00 0.00 C ATOM 384 CZ PHE A 27 2.362 -3.306 9.308 1.00 0.00 C ATOM 0 H PHE A 27 -0.332 -0.477 5.106 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.130 -3.080 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.665 -0.314 7.199 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.782 -1.334 8.083 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.913 -3.747 8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.620 -0.481 7.627 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.977 -4.870 9.754 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.513 -1.603 8.720 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.193 -3.798 9.791 1.00 0.00 H new ATOM 394 N HIS A 28 -3.538 -2.964 5.581 1.00 0.00 N ATOM 395 CA HIS A 28 -4.981 -2.949 5.369 1.00 0.00 C ATOM 396 C HIS A 28 -5.700 -3.722 6.470 1.00 0.00 C ATOM 397 O HIS A 28 -6.576 -4.542 6.196 1.00 0.00 O ATOM 398 CB HIS A 28 -5.322 -3.546 4.003 1.00 0.00 C ATOM 399 CG HIS A 28 -6.738 -3.302 3.580 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.473 -2.165 3.561 1.00 0.00 N flip ATOM 401 CD2 HIS A 28 -7.565 -4.299 3.108 1.00 0.00 C flip ATOM 402 CE1 HIS A 28 -8.717 -2.493 3.081 1.00 0.00 C flip ATOM 403 NE2 HIS A 28 -8.747 -3.786 2.815 1.00 0.00 N flip ATOM 0 H HIS A 28 -3.105 -3.880 5.469 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.318 -1.913 5.399 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.650 -3.126 3.254 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.139 -4.620 4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.290 -5.337 2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.538 -1.805 2.943 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.546 -4.301 2.446 1.00 0.00 H new ATOM 412 N GLY A 29 -5.323 -3.456 7.717 1.00 0.00 N ATOM 413 CA GLY A 29 -5.942 -4.136 8.840 1.00 0.00 C ATOM 414 C GLY A 29 -4.949 -4.958 9.638 1.00 0.00 C ATOM 415 O GLY A 29 -3.752 -4.669 9.667 1.00 0.00 O ATOM 0 H GLY A 29 -4.600 -2.782 7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.409 -3.400 9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.737 -4.786 8.474 1.00 0.00 H new ATOM 419 N PRO A 30 -5.447 -6.008 10.307 1.00 0.00 N ATOM 420 CA PRO A 30 -4.612 -6.895 11.123 1.00 0.00 C ATOM 421 C PRO A 30 -3.678 -7.753 10.277 1.00 0.00 C ATOM 422 O PRO A 30 -2.955 -8.602 10.799 1.00 0.00 O ATOM 423 CB PRO A 30 -5.634 -7.774 11.850 1.00 0.00 C ATOM 424 CG PRO A 30 -6.835 -7.767 10.968 1.00 0.00 C ATOM 425 CD PRO A 30 -6.863 -6.411 10.318 1.00 0.00 C ATOM 0 HA PRO A 30 -3.957 -6.337 11.792 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.255 -8.786 11.994 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.866 -7.377 12.838 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.774 -8.557 10.220 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.743 -7.943 11.544 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.275 -6.457 9.310 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.476 -5.708 10.882 1.00 0.00 H new ATOM 433 N LEU A 31 -3.697 -7.525 8.968 1.00 0.00 N ATOM 434 CA LEU A 31 -2.851 -8.278 8.048 1.00 0.00 C ATOM 435 C LEU A 31 -2.306 -7.374 6.947 1.00 0.00 C ATOM 436 O LEU A 31 -2.862 -6.310 6.671 1.00 0.00 O ATOM 437 CB LEU A 31 -3.637 -9.436 7.432 1.00 0.00 C ATOM 438 CG LEU A 31 -4.009 -10.575 8.381 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.304 -11.238 7.938 1.00 0.00 C ATOM 440 CD2 LEU A 31 -2.883 -11.596 8.456 1.00 0.00 C ATOM 0 H LEU A 31 -4.289 -6.825 8.520 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.010 -8.680 8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.554 -9.036 6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.051 -9.850 6.611 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.161 -10.158 9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.553 -12.046 8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.108 -10.502 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.181 -11.642 6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.165 -12.400 9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.699 -12.008 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.977 -11.112 8.822 1.00 0.00 H new ATOM 452 N LEU A 32 -1.218 -7.805 6.319 1.00 0.00 N ATOM 453 CA LEU A 32 -0.599 -7.037 5.245 1.00 0.00 C ATOM 454 C LEU A 32 -1.013 -7.577 3.880 1.00 0.00 C ATOM 455 O LEU A 32 -1.336 -8.757 3.740 1.00 0.00 O ATOM 456 CB LEU A 32 0.924 -7.070 5.379 1.00 0.00 C ATOM 457 CG LEU A 32 1.553 -5.934 6.187 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.928 -6.337 6.695 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.642 -4.669 5.346 1.00 0.00 C ATOM 0 H LEU A 32 -0.746 -8.683 6.535 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.942 -6.006 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.207 -8.016 5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.357 -7.060 4.379 1.00 0.00 H new ATOM 0 HG LEU A 32 0.917 -5.730 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.359 -5.516 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.837 -7.216 7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.575 -6.569 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.092 -3.871 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.256 -4.860 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.642 -4.369 5.033 1.00 0.00 H new ATOM 471 N TYR A 33 -0.998 -6.708 2.876 1.00 0.00 N ATOM 472 CA TYR A 33 -1.372 -7.098 1.521 1.00 0.00 C ATOM 473 C TYR A 33 -0.416 -6.495 0.497 1.00 0.00 C ATOM 474 O TYR A 33 0.016 -5.350 0.634 1.00 0.00 O ATOM 475 CB TYR A 33 -2.805 -6.657 1.219 1.00 0.00 C ATOM 476 CG TYR A 33 -3.822 -7.184 2.206 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.906 -6.664 3.492 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.701 -8.200 1.852 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.833 -7.143 4.397 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.632 -8.684 2.751 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.694 -8.153 4.022 1.00 0.00 C ATOM 482 OH TYR A 33 -6.620 -8.631 4.920 1.00 0.00 O ATOM 0 H TYR A 33 -0.731 -5.729 2.974 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.311 -8.184 1.452 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.847 -5.568 1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.076 -6.992 0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.235 -5.872 3.789 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.656 -8.619 0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.883 -6.729 5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.308 -9.474 2.460 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.149 -9.340 4.498 1.00 0.00 H new ATOM 492 N GLU A 34 -0.090 -7.274 -0.529 1.00 0.00 N ATOM 493 CA GLU A 34 0.816 -6.818 -1.577 1.00 0.00 C ATOM 494 C GLU A 34 0.184 -5.692 -2.390 1.00 0.00 C ATOM 495 O GLU A 34 -0.983 -5.768 -2.773 1.00 0.00 O ATOM 496 CB GLU A 34 1.191 -7.980 -2.499 1.00 0.00 C ATOM 497 CG GLU A 34 2.161 -7.592 -3.602 1.00 0.00 C ATOM 498 CD GLU A 34 2.313 -8.675 -4.653 1.00 0.00 C ATOM 499 OE1 GLU A 34 2.756 -9.787 -4.298 1.00 0.00 O ATOM 500 OE2 GLU A 34 1.989 -8.410 -5.830 1.00 0.00 O ATOM 0 H GLU A 34 -0.439 -8.224 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 34 1.719 -6.436 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.632 -8.778 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.284 -8.383 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.815 -6.675 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.136 -7.376 -3.164 1.00 0.00 H new ATOM 507 N ALA A 35 0.963 -4.647 -2.648 1.00 0.00 N ATOM 508 CA ALA A 35 0.481 -3.506 -3.417 1.00 0.00 C ATOM 509 C ALA A 35 1.639 -2.746 -4.055 1.00 0.00 C ATOM 510 O ALA A 35 2.805 -3.081 -3.848 1.00 0.00 O ATOM 511 CB ALA A 35 -0.335 -2.579 -2.528 1.00 0.00 C ATOM 0 H ALA A 35 1.931 -4.567 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.158 -3.881 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.689 -1.731 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.189 -3.122 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.288 -2.219 -1.709 1.00 0.00 H new ATOM 517 N LYS A 36 1.309 -1.721 -4.834 1.00 0.00 N ATOM 518 CA LYS A 36 2.320 -0.912 -5.504 1.00 0.00 C ATOM 519 C LYS A 36 1.953 0.568 -5.456 1.00 0.00 C ATOM 520 O LYS A 36 0.779 0.929 -5.544 1.00 0.00 O ATOM 521 CB LYS A 36 2.482 -1.361 -6.958 1.00 0.00 C ATOM 522 CG LYS A 36 3.345 -0.429 -7.790 1.00 0.00 C ATOM 523 CD LYS A 36 2.513 0.653 -8.458 1.00 0.00 C ATOM 524 CE LYS A 36 1.823 0.133 -9.710 1.00 0.00 C ATOM 525 NZ LYS A 36 0.481 -0.437 -9.407 1.00 0.00 N ATOM 0 H LYS A 36 0.348 -1.431 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 36 3.266 -1.051 -4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.920 -2.359 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.497 -1.437 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.101 0.032 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.875 -1.003 -8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.765 1.023 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.152 1.497 -8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.719 0.944 -10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.445 -0.631 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.207 -0.096 -10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.528 -1.475 -9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.184 -0.138 -8.456 1.00 0.00 H new ATOM 539 N CYS A 37 2.963 1.419 -5.316 1.00 0.00 N ATOM 540 CA CYS A 37 2.746 2.860 -5.257 1.00 0.00 C ATOM 541 C CYS A 37 2.132 3.371 -6.556 1.00 0.00 C ATOM 542 O CYS A 37 2.801 3.436 -7.588 1.00 0.00 O ATOM 543 CB CYS A 37 4.065 3.585 -4.983 1.00 0.00 C ATOM 544 SG CYS A 37 3.915 5.385 -4.902 1.00 0.00 S ATOM 0 H CYS A 37 3.940 1.136 -5.241 1.00 0.00 H new ATOM 0 HA CYS A 37 2.051 3.065 -4.442 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.477 3.223 -4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.779 3.325 -5.765 1.00 0.00 H new ATOM 0 HG CYS A 37 5.082 5.907 -4.665 1.00 0.00 H new ATOM 550 N VAL A 38 0.854 3.731 -6.499 1.00 0.00 N ATOM 551 CA VAL A 38 0.148 4.236 -7.671 1.00 0.00 C ATOM 552 C VAL A 38 0.333 5.742 -7.818 1.00 0.00 C ATOM 553 O VAL A 38 0.529 6.250 -8.922 1.00 0.00 O ATOM 554 CB VAL A 38 -1.357 3.919 -7.599 1.00 0.00 C ATOM 555 CG1 VAL A 38 -2.050 4.322 -8.892 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.578 2.443 -7.305 1.00 0.00 C ATOM 0 H VAL A 38 0.286 3.682 -5.653 1.00 0.00 H new ATOM 0 HA VAL A 38 0.576 3.734 -8.539 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.793 4.497 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.113 4.090 -8.823 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.922 5.392 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.613 3.773 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.647 2.238 -7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.128 1.843 -8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.117 2.189 -6.350 1.00 0.00 H new ATOM 566 N LYS A 39 0.270 6.452 -6.696 1.00 0.00 N ATOM 567 CA LYS A 39 0.432 7.901 -6.698 1.00 0.00 C ATOM 568 C LYS A 39 1.048 8.380 -5.387 1.00 0.00 C ATOM 569 O LYS A 39 1.123 7.630 -4.414 1.00 0.00 O ATOM 570 CB LYS A 39 -0.918 8.586 -6.920 1.00 0.00 C ATOM 571 CG LYS A 39 -1.521 8.313 -8.287 1.00 0.00 C ATOM 572 CD LYS A 39 -2.666 9.264 -8.592 1.00 0.00 C ATOM 573 CE LYS A 39 -3.120 9.144 -10.039 1.00 0.00 C ATOM 574 NZ LYS A 39 -2.298 9.989 -10.949 1.00 0.00 N ATOM 0 H LYS A 39 0.108 6.047 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 39 1.104 8.166 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.616 8.253 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.795 9.662 -6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.751 8.413 -9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.880 7.285 -8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.504 9.051 -7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.353 10.289 -8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.057 8.103 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.167 9.438 -10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.638 9.880 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.378 10.986 -10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.303 9.692 -10.894 1.00 0.00 H new ATOM 588 N VAL A 40 1.486 9.635 -5.369 1.00 0.00 N ATOM 589 CA VAL A 40 2.093 10.216 -4.177 1.00 0.00 C ATOM 590 C VAL A 40 1.572 11.627 -3.927 1.00 0.00 C ATOM 591 O VAL A 40 1.951 12.571 -4.619 1.00 0.00 O ATOM 592 CB VAL A 40 3.628 10.260 -4.293 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.247 10.768 -2.999 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.174 8.886 -4.651 1.00 0.00 C ATOM 0 H VAL A 40 1.432 10.269 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 40 1.818 9.576 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 40 3.895 10.952 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.332 10.792 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.879 11.773 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.973 10.104 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.260 8.935 -4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.898 8.171 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.756 8.566 -5.605 1.00 0.00 H new ATOM 604 N ALA A 41 0.701 11.763 -2.932 1.00 0.00 N ATOM 605 CA ALA A 41 0.130 13.059 -2.589 1.00 0.00 C ATOM 606 C ALA A 41 0.538 13.484 -1.182 1.00 0.00 C ATOM 607 O ALA A 41 0.994 12.664 -0.384 1.00 0.00 O ATOM 608 CB ALA A 41 -1.386 13.017 -2.710 1.00 0.00 C ATOM 0 H ALA A 41 0.376 10.991 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 41 0.519 13.797 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.799 13.992 -2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.662 12.767 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.784 12.262 -2.032 1.00 0.00 H new ATOM 614 N ILE A 42 0.373 14.768 -0.886 1.00 0.00 N ATOM 615 CA ILE A 42 0.724 15.300 0.425 1.00 0.00 C ATOM 616 C ILE A 42 -0.313 16.310 0.904 1.00 0.00 C ATOM 617 O ILE A 42 -0.622 17.278 0.208 1.00 0.00 O ATOM 618 CB ILE A 42 2.109 15.973 0.407 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.180 14.973 -0.034 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.440 16.541 1.779 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.481 15.624 -0.448 1.00 0.00 C ATOM 0 H ILE A 42 -0.001 15.459 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 42 0.749 14.454 1.112 1.00 0.00 H new ATOM 0 HB ILE A 42 2.088 16.794 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.375 14.278 0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.796 14.386 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.422 17.013 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.689 17.281 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.446 15.736 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.193 14.855 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.300 16.298 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.888 16.189 0.391 1.00 0.00 H new ATOM 633 N LYS A 43 -0.846 16.081 2.099 1.00 0.00 N ATOM 634 CA LYS A 43 -1.847 16.972 2.675 1.00 0.00 C ATOM 635 C LYS A 43 -1.897 16.825 4.193 1.00 0.00 C ATOM 636 O LYS A 43 -1.319 15.895 4.755 1.00 0.00 O ATOM 637 CB LYS A 43 -3.225 16.678 2.078 1.00 0.00 C ATOM 638 CG LYS A 43 -3.486 17.399 0.767 1.00 0.00 C ATOM 639 CD LYS A 43 -4.971 17.458 0.449 1.00 0.00 C ATOM 640 CE LYS A 43 -5.216 17.592 -1.046 1.00 0.00 C ATOM 641 NZ LYS A 43 -4.885 18.956 -1.542 1.00 0.00 N ATOM 0 H LYS A 43 -0.601 15.285 2.688 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.565 17.997 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.321 15.604 1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.992 16.962 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.084 18.411 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.960 16.890 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.460 16.557 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.422 18.302 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.615 16.856 -1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.261 17.370 -1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.065 19.007 -2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.476 19.657 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.882 19.159 -1.357 1.00 0.00 H new ATOM 655 N ASP A 44 -2.591 17.748 4.849 1.00 0.00 N ATOM 656 CA ASP A 44 -2.719 17.720 6.301 1.00 0.00 C ATOM 657 C ASP A 44 -1.363 17.492 6.962 1.00 0.00 C ATOM 658 O ASP A 44 -1.258 16.782 7.962 1.00 0.00 O ATOM 659 CB ASP A 44 -3.698 16.625 6.728 1.00 0.00 C ATOM 660 CG ASP A 44 -4.403 16.953 8.029 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.144 17.957 8.065 1.00 0.00 O ATOM 662 OD2 ASP A 44 -4.213 16.206 9.012 1.00 0.00 O ATOM 0 H ASP A 44 -3.074 18.525 4.398 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.104 18.687 6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.440 16.479 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.160 15.683 6.837 1.00 0.00 H new ATOM 667 N LYS A 45 -0.325 18.099 6.395 1.00 0.00 N ATOM 668 CA LYS A 45 1.025 17.964 6.928 1.00 0.00 C ATOM 669 C LYS A 45 1.448 16.499 6.973 1.00 0.00 C ATOM 670 O LYS A 45 2.195 16.087 7.860 1.00 0.00 O ATOM 671 CB LYS A 45 1.106 18.572 8.329 1.00 0.00 C ATOM 672 CG LYS A 45 1.020 20.089 8.340 1.00 0.00 C ATOM 673 CD LYS A 45 -0.422 20.565 8.325 1.00 0.00 C ATOM 674 CE LYS A 45 -0.513 22.074 8.492 1.00 0.00 C ATOM 675 NZ LYS A 45 -0.399 22.785 7.188 1.00 0.00 N ATOM 0 H LYS A 45 -0.394 18.689 5.566 1.00 0.00 H new ATOM 0 HA LYS A 45 1.705 18.501 6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.299 18.166 8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.043 18.266 8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.523 20.477 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.546 20.491 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.893 20.273 7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.976 20.075 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.462 22.331 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.278 22.414 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.466 23.811 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.517 22.561 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.168 22.480 6.558 1.00 0.00 H new ATOM 689 N GLN A 46 0.967 15.719 6.010 1.00 0.00 N ATOM 690 CA GLN A 46 1.297 14.300 5.941 1.00 0.00 C ATOM 691 C GLN A 46 1.425 13.841 4.492 1.00 0.00 C ATOM 692 O GLN A 46 0.769 14.378 3.599 1.00 0.00 O ATOM 693 CB GLN A 46 0.229 13.471 6.658 1.00 0.00 C ATOM 694 CG GLN A 46 -1.066 13.339 5.874 1.00 0.00 C ATOM 695 CD GLN A 46 -1.818 12.063 6.200 1.00 0.00 C ATOM 696 OE1 GLN A 46 -1.234 10.980 6.247 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.120 12.185 6.427 1.00 0.00 N ATOM 0 H GLN A 46 0.348 16.045 5.268 1.00 0.00 H new ATOM 0 HA GLN A 46 2.256 14.151 6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.626 12.476 6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.014 13.928 7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.704 14.197 6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.844 13.363 4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.563 13.103 6.377 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.678 11.361 6.651 1.00 0.00 H new ATOM 706 N VAL A 47 2.275 12.845 4.265 1.00 0.00 N ATOM 707 CA VAL A 47 2.490 12.313 2.925 1.00 0.00 C ATOM 708 C VAL A 47 1.753 10.993 2.733 1.00 0.00 C ATOM 709 O VAL A 47 1.945 10.045 3.495 1.00 0.00 O ATOM 710 CB VAL A 47 3.988 12.098 2.639 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.217 11.835 1.159 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.797 13.298 3.107 1.00 0.00 C ATOM 0 H VAL A 47 2.826 12.390 4.993 1.00 0.00 H new ATOM 0 HA VAL A 47 2.097 13.051 2.226 1.00 0.00 H new ATOM 0 HB VAL A 47 4.324 11.223 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.281 11.686 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.668 10.942 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.866 12.689 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.853 13.129 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.461 14.191 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.658 13.435 4.179 1.00 0.00 H new ATOM 722 N LYS A 48 0.908 10.936 1.709 1.00 0.00 N ATOM 723 CA LYS A 48 0.141 9.731 1.414 1.00 0.00 C ATOM 724 C LYS A 48 0.485 9.193 0.029 1.00 0.00 C ATOM 725 O LYS A 48 0.964 9.931 -0.833 1.00 0.00 O ATOM 726 CB LYS A 48 -1.359 10.022 1.502 1.00 0.00 C ATOM 727 CG LYS A 48 -1.871 10.153 2.926 1.00 0.00 C ATOM 728 CD LYS A 48 -3.322 9.716 3.039 1.00 0.00 C ATOM 729 CE LYS A 48 -3.922 10.119 4.377 1.00 0.00 C ATOM 730 NZ LYS A 48 -5.284 9.548 4.568 1.00 0.00 N ATOM 0 H LYS A 48 0.737 11.711 1.069 1.00 0.00 H new ATOM 0 HA LYS A 48 0.402 8.974 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.574 10.944 0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.905 9.223 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.255 9.549 3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.775 11.188 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.901 10.161 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.388 8.634 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.271 9.782 5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.972 11.206 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.659 9.845 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.913 9.889 3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.233 8.510 4.533 1.00 0.00 H new ATOM 744 N TYR A 49 0.238 7.905 -0.178 1.00 0.00 N ATOM 745 CA TYR A 49 0.523 7.268 -1.458 1.00 0.00 C ATOM 746 C TYR A 49 -0.623 6.352 -1.878 1.00 0.00 C ATOM 747 O TYR A 49 -1.001 5.436 -1.147 1.00 0.00 O ATOM 748 CB TYR A 49 1.825 6.470 -1.376 1.00 0.00 C ATOM 749 CG TYR A 49 2.909 7.160 -0.579 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.734 7.439 0.771 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.107 7.531 -1.175 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.721 8.070 1.503 1.00 0.00 C ATOM 753 CE2 TYR A 49 5.101 8.161 -0.450 1.00 0.00 C ATOM 754 CZ TYR A 49 4.903 8.428 0.888 1.00 0.00 C ATOM 755 OH TYR A 49 5.889 9.055 1.615 1.00 0.00 O ATOM 0 H TYR A 49 -0.159 7.281 0.524 1.00 0.00 H new ATOM 0 HA TYR A 49 0.632 8.051 -2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.618 5.499 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.191 6.283 -2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.811 7.158 1.256 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.265 7.324 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.568 8.282 2.551 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.027 8.442 -0.929 1.00 0.00 H new ATOM 0 HH TYR A 49 6.652 8.449 1.722 1.00 0.00 H new ATOM 765 N PHE A 50 -1.172 6.605 -3.061 1.00 0.00 N ATOM 766 CA PHE A 50 -2.274 5.804 -3.580 1.00 0.00 C ATOM 767 C PHE A 50 -1.841 4.358 -3.797 1.00 0.00 C ATOM 768 O PHE A 50 -1.120 4.051 -4.747 1.00 0.00 O ATOM 769 CB PHE A 50 -2.789 6.397 -4.893 1.00 0.00 C ATOM 770 CG PHE A 50 -4.005 5.698 -5.430 1.00 0.00 C ATOM 771 CD1 PHE A 50 -5.016 5.284 -4.577 1.00 0.00 C ATOM 772 CD2 PHE A 50 -4.138 5.455 -6.788 1.00 0.00 C ATOM 773 CE1 PHE A 50 -6.135 4.639 -5.069 1.00 0.00 C ATOM 774 CE2 PHE A 50 -5.256 4.812 -7.286 1.00 0.00 C ATOM 775 CZ PHE A 50 -6.256 4.404 -6.425 1.00 0.00 C ATOM 0 H PHE A 50 -0.872 7.359 -3.679 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.078 5.817 -2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.023 7.450 -4.739 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.995 6.352 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.928 5.467 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.359 5.772 -7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.915 4.319 -4.394 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.347 4.629 -8.346 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.131 3.902 -6.811 1.00 0.00 H new ATOM 785 N ILE A 51 -2.285 3.474 -2.910 1.00 0.00 N ATOM 786 CA ILE A 51 -1.944 2.060 -3.004 1.00 0.00 C ATOM 787 C ILE A 51 -2.946 1.309 -3.875 1.00 0.00 C ATOM 788 O ILE A 51 -4.117 1.682 -3.955 1.00 0.00 O ATOM 789 CB ILE A 51 -1.893 1.399 -1.614 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.953 2.176 -0.690 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.447 -0.051 -1.733 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.482 2.200 -1.169 1.00 0.00 C ATOM 0 H ILE A 51 -2.882 3.712 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.956 2.004 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.894 1.417 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.313 3.200 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.988 1.734 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.416 -0.505 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.151 -0.598 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.454 -0.091 -2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.091 2.768 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.860 1.180 -1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.530 2.669 -2.152 1.00 0.00 H new ATOM 804 N HIS A 52 -2.479 0.248 -4.525 1.00 0.00 N ATOM 805 CA HIS A 52 -3.335 -0.557 -5.388 1.00 0.00 C ATOM 806 C HIS A 52 -3.303 -2.024 -4.970 1.00 0.00 C ATOM 807 O HIS A 52 -2.446 -2.788 -5.416 1.00 0.00 O ATOM 808 CB HIS A 52 -2.897 -0.421 -6.847 1.00 0.00 C ATOM 809 CG HIS A 52 -3.303 -1.580 -7.705 1.00 0.00 C ATOM 810 ND1 HIS A 52 -4.618 -1.936 -7.916 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.558 -2.464 -8.409 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.664 -2.990 -8.711 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.427 -3.330 -9.025 1.00 0.00 N ATOM 0 H HIS A 52 -1.513 -0.074 -4.470 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.357 -0.191 -5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.321 0.493 -7.261 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.813 -0.314 -6.884 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.480 -2.484 -8.474 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.561 -3.489 -9.047 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.161 -4.109 -9.627 1.00 0.00 H new ATOM 822 N TYR A 53 -4.239 -2.410 -4.111 1.00 0.00 N ATOM 823 CA TYR A 53 -4.315 -3.785 -3.630 1.00 0.00 C ATOM 824 C TYR A 53 -4.406 -4.765 -4.795 1.00 0.00 C ATOM 825 O TYR A 53 -5.452 -4.898 -5.431 1.00 0.00 O ATOM 826 CB TYR A 53 -5.524 -3.958 -2.708 1.00 0.00 C ATOM 827 CG TYR A 53 -5.433 -3.151 -1.433 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.347 -3.286 -0.578 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.435 -2.253 -1.084 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.260 -2.550 0.589 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.356 -1.513 0.080 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.267 -1.665 0.913 1.00 0.00 C ATOM 833 OH TYR A 53 -5.186 -0.930 2.073 1.00 0.00 O ATOM 0 H TYR A 53 -4.956 -1.791 -3.733 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.405 -3.998 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.426 -3.669 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.629 -5.013 -2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.557 -3.978 -0.829 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.289 -2.132 -1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.409 -2.667 1.243 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.143 -0.819 0.336 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.006 -1.051 2.595 1.00 0.00 H new ATOM 843 N SER A 54 -3.301 -5.452 -5.070 1.00 0.00 N ATOM 844 CA SER A 54 -3.252 -6.419 -6.160 1.00 0.00 C ATOM 845 C SER A 54 -4.594 -7.129 -6.317 1.00 0.00 C ATOM 846 O SER A 54 -4.980 -7.942 -5.478 1.00 0.00 O ATOM 847 CB SER A 54 -2.145 -7.445 -5.911 1.00 0.00 C ATOM 848 OG SER A 54 -2.160 -8.461 -6.899 1.00 0.00 O ATOM 0 H SER A 54 -2.427 -5.356 -4.552 1.00 0.00 H new ATOM 0 HA SER A 54 -3.036 -5.879 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.176 -6.946 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.273 -7.891 -4.925 1.00 0.00 H new ATOM 0 HG SER A 54 -1.442 -9.103 -6.719 1.00 0.00 H new ATOM 854 N GLY A 55 -5.300 -6.814 -7.398 1.00 0.00 N ATOM 855 CA GLY A 55 -6.591 -7.429 -7.646 1.00 0.00 C ATOM 856 C GLY A 55 -7.405 -6.673 -8.677 1.00 0.00 C ATOM 857 O GLY A 55 -7.108 -5.520 -8.988 1.00 0.00 O ATOM 0 H GLY A 55 -5.001 -6.144 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.442 -8.454 -7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.151 -7.480 -6.712 1.00 0.00 H new ATOM 861 N TRP A 56 -8.434 -7.324 -9.208 1.00 0.00 N ATOM 862 CA TRP A 56 -9.293 -6.705 -10.212 1.00 0.00 C ATOM 863 C TRP A 56 -10.336 -5.807 -9.556 1.00 0.00 C ATOM 864 O TRP A 56 -10.351 -5.645 -8.337 1.00 0.00 O ATOM 865 CB TRP A 56 -9.984 -7.779 -11.054 1.00 0.00 C ATOM 866 CG TRP A 56 -9.064 -8.455 -12.025 1.00 0.00 C ATOM 867 CD1 TRP A 56 -8.850 -9.798 -12.153 1.00 0.00 C ATOM 868 CD2 TRP A 56 -8.233 -7.819 -13.002 1.00 0.00 C ATOM 869 NE1 TRP A 56 -7.936 -10.035 -13.151 1.00 0.00 N ATOM 870 CE2 TRP A 56 -7.543 -8.838 -13.688 1.00 0.00 C ATOM 871 CE3 TRP A 56 -8.005 -6.489 -13.366 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -6.642 -8.566 -14.715 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -7.111 -6.221 -14.384 1.00 0.00 C ATOM 874 CH2 TRP A 56 -6.439 -7.255 -15.050 1.00 0.00 C ATOM 0 H TRP A 56 -8.694 -8.279 -8.961 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.668 -6.091 -10.861 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -10.415 -8.529 -10.391 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -10.810 -7.325 -11.602 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -9.329 -10.561 -11.557 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -7.604 -10.954 -13.444 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.519 -5.685 -12.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.122 -9.361 -15.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -6.926 -5.197 -14.672 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -5.747 -7.012 -15.843 1.00 0.00 H new ATOM 885 N ASN A 57 -11.207 -5.225 -10.374 1.00 0.00 N ATOM 886 CA ASN A 57 -12.254 -4.342 -9.872 1.00 0.00 C ATOM 887 C ASN A 57 -11.710 -3.411 -8.793 1.00 0.00 C ATOM 888 O ASN A 57 -12.376 -3.147 -7.791 1.00 0.00 O ATOM 889 CB ASN A 57 -13.419 -5.163 -9.314 1.00 0.00 C ATOM 890 CG ASN A 57 -12.949 -6.382 -8.544 1.00 0.00 C ATOM 891 OD1 ASN A 57 -12.505 -7.368 -9.132 1.00 0.00 O ATOM 892 ND2 ASN A 57 -13.047 -6.320 -7.221 1.00 0.00 N ATOM 0 H ASN A 57 -11.209 -5.349 -11.386 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.612 -3.735 -10.704 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.023 -4.534 -8.660 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.062 -5.480 -10.135 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.748 -7.110 -6.650 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.421 -5.482 -6.776 1.00 0.00 H new ATOM 899 N LYS A 58 -10.495 -2.916 -9.004 1.00 0.00 N ATOM 900 CA LYS A 58 -9.860 -2.013 -8.051 1.00 0.00 C ATOM 901 C LYS A 58 -10.899 -1.144 -7.350 1.00 0.00 C ATOM 902 O LYS A 58 -11.357 -0.143 -7.899 1.00 0.00 O ATOM 903 CB LYS A 58 -8.835 -1.127 -8.762 1.00 0.00 C ATOM 904 CG LYS A 58 -7.727 -1.909 -9.446 1.00 0.00 C ATOM 905 CD LYS A 58 -8.015 -2.105 -10.926 1.00 0.00 C ATOM 906 CE LYS A 58 -7.412 -0.987 -11.763 1.00 0.00 C ATOM 907 NZ LYS A 58 -7.553 -1.250 -13.222 1.00 0.00 N ATOM 0 H LYS A 58 -9.930 -3.125 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.351 -2.617 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.348 -0.515 -9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.392 -0.444 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.780 -1.382 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.615 -2.880 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.612 -3.064 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.092 -2.141 -11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.899 -0.044 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.357 -0.875 -11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.130 -0.466 -13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.066 -2.137 -13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.561 -1.331 -13.464 1.00 0.00 H new ATOM 921 N ASN A 59 -11.266 -1.533 -6.133 1.00 0.00 N ATOM 922 CA ASN A 59 -12.251 -0.788 -5.357 1.00 0.00 C ATOM 923 C ASN A 59 -11.675 -0.369 -4.007 1.00 0.00 C ATOM 924 O ASN A 59 -11.804 0.785 -3.598 1.00 0.00 O ATOM 925 CB ASN A 59 -13.510 -1.632 -5.147 1.00 0.00 C ATOM 926 CG ASN A 59 -14.746 -0.781 -4.930 1.00 0.00 C ATOM 927 OD1 ASN A 59 -15.262 -0.688 -3.816 1.00 0.00 O ATOM 928 ND2 ASN A 59 -15.228 -0.155 -5.998 1.00 0.00 N ATOM 0 H ASN A 59 -10.896 -2.359 -5.663 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.513 0.111 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.662 -2.275 -6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.367 -2.286 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -16.058 0.431 -5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.768 -0.261 -6.902 1.00 0.00 H new ATOM 935 N TRP A 60 -11.040 -1.313 -3.322 1.00 0.00 N ATOM 936 CA TRP A 60 -10.444 -1.041 -2.019 1.00 0.00 C ATOM 937 C TRP A 60 -9.335 -0.001 -2.134 1.00 0.00 C ATOM 938 O TRP A 60 -8.917 0.586 -1.136 1.00 0.00 O ATOM 939 CB TRP A 60 -9.890 -2.330 -1.410 1.00 0.00 C ATOM 940 CG TRP A 60 -9.396 -3.307 -2.435 1.00 0.00 C ATOM 941 CD1 TRP A 60 -8.656 -3.023 -3.547 1.00 0.00 C ATOM 942 CD2 TRP A 60 -9.608 -4.723 -2.441 1.00 0.00 C ATOM 943 NE1 TRP A 60 -8.396 -4.177 -4.245 1.00 0.00 N ATOM 944 CE2 TRP A 60 -8.967 -5.234 -3.587 1.00 0.00 C ATOM 945 CE3 TRP A 60 -10.274 -5.608 -1.590 1.00 0.00 C ATOM 946 CZ2 TRP A 60 -8.976 -6.590 -3.901 1.00 0.00 C ATOM 947 CZ3 TRP A 60 -10.282 -6.954 -1.903 1.00 0.00 C ATOM 948 CH2 TRP A 60 -9.636 -7.435 -3.050 1.00 0.00 C ATOM 0 H TRP A 60 -10.925 -2.273 -3.647 1.00 0.00 H new ATOM 0 HA TRP A 60 -11.222 -0.644 -1.367 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.073 -2.081 -0.732 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.668 -2.804 -0.812 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.324 -2.036 -3.835 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -7.864 -4.237 -5.113 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -10.774 -5.247 -0.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -8.480 -6.962 -4.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -10.795 -7.647 -1.253 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.659 -8.493 -3.267 1.00 0.00 H new ATOM 959 N ASP A 61 -8.864 0.222 -3.355 1.00 0.00 N ATOM 960 CA ASP A 61 -7.804 1.194 -3.600 1.00 0.00 C ATOM 961 C ASP A 61 -8.016 2.451 -2.763 1.00 0.00 C ATOM 962 O ASP A 61 -8.889 3.266 -3.061 1.00 0.00 O ATOM 963 CB ASP A 61 -7.749 1.557 -5.085 1.00 0.00 C ATOM 964 CG ASP A 61 -9.084 2.045 -5.612 1.00 0.00 C ATOM 965 OD1 ASP A 61 -10.078 1.979 -4.859 1.00 0.00 O ATOM 966 OD2 ASP A 61 -9.135 2.492 -6.777 1.00 0.00 O ATOM 0 H ASP A 61 -9.199 -0.257 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.856 0.742 -3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.996 2.330 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.432 0.685 -5.658 1.00 0.00 H new ATOM 971 N GLU A 62 -7.212 2.602 -1.715 1.00 0.00 N ATOM 972 CA GLU A 62 -7.313 3.759 -0.835 1.00 0.00 C ATOM 973 C GLU A 62 -5.942 4.388 -0.602 1.00 0.00 C ATOM 974 O GLU A 62 -4.913 3.794 -0.924 1.00 0.00 O ATOM 975 CB GLU A 62 -7.936 3.357 0.504 1.00 0.00 C ATOM 976 CG GLU A 62 -7.209 2.216 1.194 1.00 0.00 C ATOM 977 CD GLU A 62 -8.079 1.500 2.210 1.00 0.00 C ATOM 978 OE1 GLU A 62 -9.311 1.459 2.010 1.00 0.00 O ATOM 979 OE2 GLU A 62 -7.528 0.981 3.203 1.00 0.00 O ATOM 0 H GLU A 62 -6.484 1.937 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.954 4.496 -1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.946 4.223 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.974 3.069 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.868 1.501 0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.320 2.604 1.691 1.00 0.00 H new ATOM 986 N TRP A 63 -5.938 5.592 -0.041 1.00 0.00 N ATOM 987 CA TRP A 63 -4.694 6.301 0.234 1.00 0.00 C ATOM 988 C TRP A 63 -4.149 5.931 1.609 1.00 0.00 C ATOM 989 O TRP A 63 -4.905 5.796 2.572 1.00 0.00 O ATOM 990 CB TRP A 63 -4.915 7.812 0.150 1.00 0.00 C ATOM 991 CG TRP A 63 -5.092 8.309 -1.253 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.267 8.429 -1.938 1.00 0.00 C ATOM 993 CD2 TRP A 63 -4.060 8.751 -2.142 1.00 0.00 C ATOM 994 NE1 TRP A 63 -6.028 8.919 -3.200 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.682 9.125 -3.349 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.672 8.870 -2.035 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.962 9.607 -4.439 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.959 9.348 -3.118 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.604 9.713 -4.307 1.00 0.00 C ATOM 0 H TRP A 63 -6.781 6.097 0.232 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.963 6.005 -0.518 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.796 8.076 0.735 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.066 8.322 0.604 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.241 8.176 -1.546 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.738 9.100 -3.910 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.165 8.593 -1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.458 9.887 -5.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.885 9.442 -3.047 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -2.019 10.085 -5.135 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.832 5.768 1.695 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.187 5.414 2.954 1.00 0.00 C ATOM 1012 C VAL A 64 -0.974 6.301 3.217 1.00 0.00 C ATOM 1013 O VAL A 64 -0.326 6.799 2.297 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.742 3.940 2.962 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.792 3.062 2.299 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.394 3.787 2.272 1.00 0.00 C ATOM 0 H VAL A 64 -2.192 5.875 0.908 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.924 5.567 3.742 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.633 3.617 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.460 2.024 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.734 3.150 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.935 3.382 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.095 2.739 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.473 4.127 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.352 4.385 2.795 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.659 6.504 4.505 1.00 0.00 N ATOM 1027 CA PRO A 65 0.479 7.330 4.921 1.00 0.00 C ATOM 1028 C PRO A 65 1.818 6.680 4.593 1.00 0.00 C ATOM 1029 O PRO A 65 1.867 5.547 4.115 1.00 0.00 O ATOM 1030 CB PRO A 65 0.297 7.447 6.436 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.482 6.236 6.819 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.387 5.942 5.655 1.00 0.00 C ATOM 0 HA PRO A 65 0.496 8.290 4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.258 7.478 6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.235 8.360 6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.180 5.394 7.021 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.059 6.414 7.727 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.557 4.872 5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.364 6.408 5.778 1.00 0.00 H new ATOM 1040 N GLU A 66 2.902 7.404 4.854 1.00 0.00 N ATOM 1041 CA GLU A 66 4.242 6.895 4.586 1.00 0.00 C ATOM 1042 C GLU A 66 4.631 5.825 5.601 1.00 0.00 C ATOM 1043 O GLU A 66 5.585 5.075 5.393 1.00 0.00 O ATOM 1044 CB GLU A 66 5.261 8.037 4.617 1.00 0.00 C ATOM 1045 CG GLU A 66 6.692 7.583 4.384 1.00 0.00 C ATOM 1046 CD GLU A 66 7.693 8.713 4.526 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.920 9.432 3.531 1.00 0.00 O ATOM 1048 OE2 GLU A 66 8.249 8.877 5.632 1.00 0.00 O ATOM 0 H GLU A 66 2.879 8.344 5.250 1.00 0.00 H new ATOM 0 HA GLU A 66 4.240 6.446 3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.994 8.772 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.201 8.540 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.939 6.793 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.775 7.153 3.386 1.00 0.00 H new ATOM 1055 N SER A 67 3.886 5.761 6.700 1.00 0.00 N ATOM 1056 CA SER A 67 4.155 4.786 7.750 1.00 0.00 C ATOM 1057 C SER A 67 3.542 3.432 7.404 1.00 0.00 C ATOM 1058 O SER A 67 4.137 2.385 7.661 1.00 0.00 O ATOM 1059 CB SER A 67 3.604 5.281 9.088 1.00 0.00 C ATOM 1060 OG SER A 67 4.035 4.453 10.155 1.00 0.00 O ATOM 0 H SER A 67 3.091 6.373 6.886 1.00 0.00 H new ATOM 0 HA SER A 67 5.235 4.666 7.832 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.932 6.306 9.263 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.515 5.297 9.053 1.00 0.00 H new ATOM 0 HG SER A 67 3.671 4.791 10.999 1.00 0.00 H new ATOM 1066 N ARG A 68 2.349 3.462 6.820 1.00 0.00 N ATOM 1067 CA ARG A 68 1.654 2.238 6.439 1.00 0.00 C ATOM 1068 C ARG A 68 2.385 1.528 5.304 1.00 0.00 C ATOM 1069 O ARG A 68 2.246 0.318 5.123 1.00 0.00 O ATOM 1070 CB ARG A 68 0.217 2.553 6.017 1.00 0.00 C ATOM 1071 CG ARG A 68 -0.742 2.705 7.186 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.188 2.545 6.745 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.114 3.223 7.648 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.375 3.502 7.335 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -4.857 3.162 6.147 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.156 4.122 8.210 1.00 0.00 N ATOM 0 H ARG A 68 1.843 4.320 6.600 1.00 0.00 H new ATOM 0 HA ARG A 68 1.635 1.576 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.212 3.473 5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.143 1.758 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.509 1.962 7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.607 3.685 7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.306 2.945 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.438 1.485 6.699 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.774 3.498 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.259 2.685 5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.825 3.377 5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.789 4.385 9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.124 4.335 7.968 1.00 0.00 H new ATOM 1090 N VAL A 69 3.164 2.288 4.541 1.00 0.00 N ATOM 1091 CA VAL A 69 3.918 1.732 3.424 1.00 0.00 C ATOM 1092 C VAL A 69 5.262 1.183 3.887 1.00 0.00 C ATOM 1093 O VAL A 69 5.968 1.818 4.672 1.00 0.00 O ATOM 1094 CB VAL A 69 4.157 2.788 2.328 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.862 2.166 1.132 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.842 3.427 1.908 1.00 0.00 C ATOM 0 H VAL A 69 3.289 3.291 4.676 1.00 0.00 H new ATOM 0 HA VAL A 69 3.320 0.919 3.012 1.00 0.00 H new ATOM 0 HB VAL A 69 4.801 3.568 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.022 2.927 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.823 1.760 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.246 1.365 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.030 4.170 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.172 2.660 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.380 3.910 2.770 1.00 0.00 H new ATOM 1106 N LEU A 70 5.612 -0.001 3.396 1.00 0.00 N ATOM 1107 CA LEU A 70 6.873 -0.638 3.759 1.00 0.00 C ATOM 1108 C LEU A 70 7.831 -0.665 2.572 1.00 0.00 C ATOM 1109 O LEU A 70 7.412 -0.547 1.420 1.00 0.00 O ATOM 1110 CB LEU A 70 6.623 -2.061 4.260 1.00 0.00 C ATOM 1111 CG LEU A 70 5.598 -2.207 5.385 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.271 -3.673 5.623 1.00 0.00 C ATOM 1113 CD2 LEU A 70 6.112 -1.558 6.662 1.00 0.00 C ATOM 0 H LEU A 70 5.040 -0.539 2.745 1.00 0.00 H new ATOM 0 HA LEU A 70 7.330 -0.054 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.296 -2.669 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.571 -2.475 4.603 1.00 0.00 H new ATOM 0 HG LEU A 70 4.683 -1.697 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.540 -3.757 6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.859 -4.107 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.179 -4.208 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.370 -1.671 7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.042 -2.039 6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.293 -0.498 6.484 1.00 0.00 H new ATOM 1125 N LYS A 71 9.118 -0.822 2.861 1.00 0.00 N ATOM 1126 CA LYS A 71 10.136 -0.869 1.818 1.00 0.00 C ATOM 1127 C LYS A 71 10.158 -2.235 1.140 1.00 0.00 C ATOM 1128 O LYS A 71 11.060 -2.535 0.357 1.00 0.00 O ATOM 1129 CB LYS A 71 11.514 -0.558 2.408 1.00 0.00 C ATOM 1130 CG LYS A 71 11.724 0.914 2.720 1.00 0.00 C ATOM 1131 CD LYS A 71 10.862 1.364 3.888 1.00 0.00 C ATOM 1132 CE LYS A 71 11.393 2.646 4.510 1.00 0.00 C ATOM 1133 NZ LYS A 71 12.485 2.378 5.487 1.00 0.00 N ATOM 0 H LYS A 71 9.481 -0.919 3.809 1.00 0.00 H new ATOM 0 HA LYS A 71 9.889 -0.116 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.648 -1.137 3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.282 -0.886 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.774 1.092 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.486 1.511 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.838 1.520 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.830 0.578 4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.762 3.305 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.579 3.171 5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.820 3.277 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.126 1.770 6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.273 1.900 5.005 1.00 0.00 H new ATOM 1147 N TYR A 72 9.161 -3.057 1.444 1.00 0.00 N ATOM 1148 CA TYR A 72 9.066 -4.391 0.864 1.00 0.00 C ATOM 1149 C TYR A 72 10.429 -5.078 0.852 1.00 0.00 C ATOM 1150 O TYR A 72 10.867 -5.596 -0.175 1.00 0.00 O ATOM 1151 CB TYR A 72 8.510 -4.314 -0.559 1.00 0.00 C ATOM 1152 CG TYR A 72 7.661 -5.505 -0.943 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.163 -6.798 -0.855 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.358 -5.338 -1.395 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.391 -7.889 -1.205 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.579 -6.423 -1.746 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.100 -7.696 -1.650 1.00 0.00 C ATOM 1158 OH TYR A 72 5.328 -8.780 -2.000 1.00 0.00 O ATOM 0 H TYR A 72 8.406 -2.823 2.089 1.00 0.00 H new ATOM 0 HA TYR A 72 8.387 -4.980 1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.914 -3.407 -0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.340 -4.229 -1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.174 -6.953 -0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.947 -4.342 -1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.796 -8.887 -1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.567 -6.275 -2.094 1.00 0.00 H new ATOM 0 HH TYR A 72 4.384 -8.578 -1.829 1.00 0.00 H new ATOM 1168 N VAL A 73 11.094 -5.078 2.003 1.00 0.00 N ATOM 1169 CA VAL A 73 12.406 -5.701 2.128 1.00 0.00 C ATOM 1170 C VAL A 73 12.352 -6.914 3.051 1.00 0.00 C ATOM 1171 O VAL A 73 11.451 -7.036 3.880 1.00 0.00 O ATOM 1172 CB VAL A 73 13.451 -4.706 2.666 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.724 -3.613 1.643 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.989 -4.110 3.986 1.00 0.00 C ATOM 0 H VAL A 73 10.745 -4.653 2.862 1.00 0.00 H new ATOM 0 HA VAL A 73 12.701 -6.021 1.129 1.00 0.00 H new ATOM 0 HB VAL A 73 14.382 -5.244 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.465 -2.919 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.103 -4.061 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.800 -3.075 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.740 -3.409 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.045 -3.586 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.851 -4.907 4.717 1.00 0.00 H new ATOM 1184 N ASP A 74 13.323 -7.808 2.900 1.00 0.00 N ATOM 1185 CA ASP A 74 13.389 -9.011 3.721 1.00 0.00 C ATOM 1186 C ASP A 74 12.861 -8.739 5.127 1.00 0.00 C ATOM 1187 O ASP A 74 11.941 -9.409 5.597 1.00 0.00 O ATOM 1188 CB ASP A 74 14.826 -9.528 3.794 1.00 0.00 C ATOM 1189 CG ASP A 74 15.351 -9.970 2.442 1.00 0.00 C ATOM 1190 OD1 ASP A 74 14.749 -10.886 1.843 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.364 -9.402 1.983 1.00 0.00 O ATOM 0 H ASP A 74 14.075 -7.722 2.217 1.00 0.00 H new ATOM 0 HA ASP A 74 12.761 -9.772 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.471 -8.745 4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.873 -10.365 4.490 1.00 0.00 H new ATOM 1196 N THR A 75 13.451 -7.752 5.794 1.00 0.00 N ATOM 1197 CA THR A 75 13.043 -7.393 7.146 1.00 0.00 C ATOM 1198 C THR A 75 11.532 -7.213 7.235 1.00 0.00 C ATOM 1199 O THR A 75 10.851 -7.951 7.945 1.00 0.00 O ATOM 1200 CB THR A 75 13.732 -6.097 7.615 1.00 0.00 C ATOM 1201 OG1 THR A 75 15.146 -6.193 7.414 1.00 0.00 O ATOM 1202 CG2 THR A 75 13.440 -5.831 9.084 1.00 0.00 C ATOM 0 H THR A 75 14.213 -7.187 5.419 1.00 0.00 H new ATOM 0 HA THR A 75 13.347 -8.213 7.796 1.00 0.00 H new ATOM 0 HB THR A 75 13.338 -5.268 7.026 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.576 -5.365 7.713 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.937 -4.911 9.393 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.364 -5.729 9.228 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.809 -6.662 9.685 1.00 0.00 H new ATOM 1210 N ASN A 76 11.015 -6.228 6.509 1.00 0.00 N ATOM 1211 CA ASN A 76 9.583 -5.951 6.506 1.00 0.00 C ATOM 1212 C ASN A 76 8.784 -7.220 6.223 1.00 0.00 C ATOM 1213 O ASN A 76 7.776 -7.491 6.876 1.00 0.00 O ATOM 1214 CB ASN A 76 9.251 -4.883 5.462 1.00 0.00 C ATOM 1215 CG ASN A 76 9.684 -3.496 5.896 1.00 0.00 C ATOM 1216 OD1 ASN A 76 10.102 -2.679 4.936 1.00 0.00 O flip ATOM 1217 ND2 ASN A 76 9.643 -3.163 7.080 1.00 0.00 N flip ATOM 0 H ASN A 76 11.566 -5.608 5.915 1.00 0.00 H new ATOM 0 HA ASN A 76 9.308 -5.582 7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.739 -5.135 4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.177 -4.883 5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.315 -3.824 7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.937 -2.226 7.357 1.00 0.00 H new ATOM 1224 N LEU A 77 9.242 -7.994 5.245 1.00 0.00 N ATOM 1225 CA LEU A 77 8.571 -9.236 4.875 1.00 0.00 C ATOM 1226 C LEU A 77 8.364 -10.127 6.095 1.00 0.00 C ATOM 1227 O LEU A 77 7.301 -10.723 6.267 1.00 0.00 O ATOM 1228 CB LEU A 77 9.384 -9.982 3.816 1.00 0.00 C ATOM 1229 CG LEU A 77 9.408 -9.354 2.422 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.449 -10.035 1.547 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.032 -9.434 1.777 1.00 0.00 C ATOM 0 H LEU A 77 10.074 -7.784 4.694 1.00 0.00 H new ATOM 0 HA LEU A 77 7.594 -8.984 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.411 -10.070 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.989 -10.994 3.730 1.00 0.00 H new ATOM 0 HG LEU A 77 9.680 -8.303 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.451 -9.575 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.434 -9.925 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.209 -11.094 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.068 -8.982 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.731 -10.478 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.310 -8.899 2.393 1.00 0.00 H new ATOM 1243 N GLN A 78 9.387 -10.212 6.940 1.00 0.00 N ATOM 1244 CA GLN A 78 9.315 -11.030 8.145 1.00 0.00 C ATOM 1245 C GLN A 78 7.932 -10.943 8.781 1.00 0.00 C ATOM 1246 O GLN A 78 7.489 -11.871 9.458 1.00 0.00 O ATOM 1247 CB GLN A 78 10.381 -10.588 9.150 1.00 0.00 C ATOM 1248 CG GLN A 78 9.889 -9.543 10.138 1.00 0.00 C ATOM 1249 CD GLN A 78 10.950 -9.146 11.145 1.00 0.00 C ATOM 1250 OE1 GLN A 78 10.791 -9.357 12.348 1.00 0.00 O ATOM 1251 NE2 GLN A 78 12.042 -8.569 10.658 1.00 0.00 N ATOM 0 H GLN A 78 10.274 -9.725 6.812 1.00 0.00 H new ATOM 0 HA GLN A 78 9.499 -12.066 7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.733 -11.460 9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 78 11.237 -10.188 8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.562 -8.658 9.592 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.018 -9.930 10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.132 -8.413 9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.791 -8.281 11.288 1.00 0.00 H new ATOM 1260 N LYS A 79 7.254 -9.822 8.559 1.00 0.00 N ATOM 1261 CA LYS A 79 5.920 -9.613 9.109 1.00 0.00 C ATOM 1262 C LYS A 79 4.847 -10.060 8.121 1.00 0.00 C ATOM 1263 O LYS A 79 4.097 -10.998 8.389 1.00 0.00 O ATOM 1264 CB LYS A 79 5.718 -8.138 9.465 1.00 0.00 C ATOM 1265 CG LYS A 79 4.404 -7.858 10.173 1.00 0.00 C ATOM 1266 CD LYS A 79 4.307 -6.407 10.615 1.00 0.00 C ATOM 1267 CE LYS A 79 3.087 -6.172 11.493 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.341 -6.554 12.910 1.00 0.00 N ATOM 0 H LYS A 79 7.607 -9.044 8.002 1.00 0.00 H new ATOM 0 HA LYS A 79 5.829 -10.215 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.541 -7.810 10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.764 -7.543 8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.574 -8.093 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.311 -8.511 11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.209 -6.131 11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.256 -5.761 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.803 -5.121 11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.246 -6.747 11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.486 -6.379 13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.588 -7.563 12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.127 -5.987 13.287 1.00 0.00 H new ATOM 1282 N GLN A 80 4.783 -9.384 6.979 1.00 0.00 N ATOM 1283 CA GLN A 80 3.802 -9.713 5.951 1.00 0.00 C ATOM 1284 C GLN A 80 3.650 -11.224 5.808 1.00 0.00 C ATOM 1285 O GLN A 80 2.595 -11.716 5.409 1.00 0.00 O ATOM 1286 CB GLN A 80 4.212 -9.100 4.611 1.00 0.00 C ATOM 1287 CG GLN A 80 3.415 -9.632 3.430 1.00 0.00 C ATOM 1288 CD GLN A 80 1.979 -9.145 3.429 1.00 0.00 C ATOM 1289 OE1 GLN A 80 1.596 -8.310 2.610 1.00 0.00 O ATOM 1290 NE2 GLN A 80 1.176 -9.667 4.348 1.00 0.00 N ATOM 0 H GLN A 80 5.398 -8.606 6.742 1.00 0.00 H new ATOM 0 HA GLN A 80 2.841 -9.297 6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.090 -8.018 4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.271 -9.294 4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.899 -9.326 2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.425 -10.722 3.451 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.536 -10.357 5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.199 -9.378 4.395 1.00 0.00 H new ATOM 1299 N ARG A 81 4.711 -11.954 6.136 1.00 0.00 N ATOM 1300 CA ARG A 81 4.696 -13.409 6.042 1.00 0.00 C ATOM 1301 C ARG A 81 4.164 -14.031 7.329 1.00 0.00 C ATOM 1302 O ARG A 81 3.460 -15.040 7.297 1.00 0.00 O ATOM 1303 CB ARG A 81 6.102 -13.937 5.751 1.00 0.00 C ATOM 1304 CG ARG A 81 7.058 -13.803 6.924 1.00 0.00 C ATOM 1305 CD ARG A 81 8.396 -14.463 6.631 1.00 0.00 C ATOM 1306 NE ARG A 81 8.253 -15.888 6.348 1.00 0.00 N ATOM 1307 CZ ARG A 81 7.968 -16.373 5.144 1.00 0.00 C ATOM 1308 NH1 ARG A 81 7.797 -15.552 4.118 1.00 0.00 N ATOM 1309 NH2 ARG A 81 7.854 -17.683 4.966 1.00 0.00 N ATOM 0 H ARG A 81 5.592 -11.562 6.469 1.00 0.00 H new ATOM 0 HA ARG A 81 4.034 -13.688 5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.035 -14.987 5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.513 -13.400 4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.213 -12.748 7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.614 -14.256 7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.865 -13.970 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.061 -14.328 7.484 1.00 0.00 H new ATOM 0 HE ARG A 81 8.379 -16.547 7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.884 -14.544 4.251 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.578 -15.928 3.195 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.985 -18.318 5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.635 -18.055 4.042 1.00 0.00 H new ATOM 1323 N GLU A 82 4.505 -13.422 8.460 1.00 0.00 N ATOM 1324 CA GLU A 82 4.062 -13.917 9.758 1.00 0.00 C ATOM 1325 C GLU A 82 2.548 -13.796 9.899 1.00 0.00 C ATOM 1326 O GLU A 82 1.897 -14.656 10.494 1.00 0.00 O ATOM 1327 CB GLU A 82 4.754 -13.148 10.886 1.00 0.00 C ATOM 1328 CG GLU A 82 3.971 -11.938 11.366 1.00 0.00 C ATOM 1329 CD GLU A 82 4.616 -11.263 12.562 1.00 0.00 C ATOM 1330 OE1 GLU A 82 5.844 -11.408 12.735 1.00 0.00 O ATOM 1331 OE2 GLU A 82 3.891 -10.591 13.325 1.00 0.00 O ATOM 0 H GLU A 82 5.087 -12.585 8.504 1.00 0.00 H new ATOM 0 HA GLU A 82 4.333 -14.971 9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.917 -13.822 11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.736 -12.822 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.884 -11.219 10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.959 -12.246 11.629 1.00 0.00 H new ATOM 1338 N LEU A 83 1.993 -12.721 9.349 1.00 0.00 N ATOM 1339 CA LEU A 83 0.555 -12.485 9.413 1.00 0.00 C ATOM 1340 C LEU A 83 -0.191 -13.399 8.445 1.00 0.00 C ATOM 1341 O LEU A 83 -1.026 -14.204 8.856 1.00 0.00 O ATOM 1342 CB LEU A 83 0.243 -11.022 9.094 1.00 0.00 C ATOM 1343 CG LEU A 83 1.133 -9.982 9.776 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.076 -8.659 9.029 1.00 0.00 C ATOM 1345 CD2 LEU A 83 0.719 -9.796 11.228 1.00 0.00 C ATOM 0 H LEU A 83 2.517 -11.999 8.854 1.00 0.00 H new ATOM 0 HA LEU A 83 0.220 -12.709 10.426 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.316 -10.882 8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.792 -10.823 9.372 1.00 0.00 H new ATOM 0 HG LEU A 83 2.162 -10.342 9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.715 -7.931 9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.422 -8.804 8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.050 -8.292 9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.363 -9.053 11.698 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.316 -9.458 11.271 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.813 -10.744 11.758 1.00 0.00 H new ATOM 1357 N GLN A 84 0.120 -13.269 7.159 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.520 -14.085 6.134 1.00 0.00 C ATOM 1359 C GLN A 84 -0.624 -15.539 6.581 1.00 0.00 C ATOM 1360 O GLN A 84 -1.610 -16.219 6.293 1.00 0.00 O ATOM 1361 CB GLN A 84 0.261 -13.997 4.822 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.065 -12.760 4.001 1.00 0.00 C ATOM 1363 CD GLN A 84 0.866 -12.582 2.817 1.00 0.00 C ATOM 1364 OE1 GLN A 84 0.956 -11.357 2.313 1.00 0.00 O flip ATOM 1365 NE2 GLN A 84 1.497 -13.536 2.361 1.00 0.00 N flip ATOM 0 H GLN A 84 0.810 -12.608 6.803 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.528 -13.700 5.976 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.328 -14.005 5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.052 -14.885 4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.093 -12.827 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.006 -11.879 4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.397 -14.461 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.120 -13.402 1.564 1.00 0.00 H new ATOM 1374 N LYS A 85 0.398 -16.011 7.286 1.00 0.00 N ATOM 1375 CA LYS A 85 0.422 -17.384 7.775 1.00 0.00 C ATOM 1376 C LYS A 85 -0.337 -17.507 9.092 1.00 0.00 C ATOM 1377 O LYS A 85 -0.997 -18.514 9.348 1.00 0.00 O ATOM 1378 CB LYS A 85 1.866 -17.856 7.961 1.00 0.00 C ATOM 1379 CG LYS A 85 2.553 -17.249 9.172 1.00 0.00 C ATOM 1380 CD LYS A 85 3.976 -17.762 9.321 1.00 0.00 C ATOM 1381 CE LYS A 85 4.029 -19.020 10.174 1.00 0.00 C ATOM 1382 NZ LYS A 85 4.204 -18.704 11.618 1.00 0.00 N ATOM 0 H LYS A 85 1.222 -15.462 7.532 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.068 -18.015 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.875 -18.942 8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.438 -17.608 7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.565 -16.163 9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.984 -17.486 10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.393 -17.971 8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.597 -16.989 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.111 -19.591 10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.851 -19.652 9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.235 -19.588 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.093 -18.181 11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.406 -18.122 11.945 1.00 0.00 H new ATOM 1396 N ALA A 86 -0.241 -16.474 9.924 1.00 0.00 N ATOM 1397 CA ALA A 86 -0.922 -16.465 11.212 1.00 0.00 C ATOM 1398 C ALA A 86 -2.425 -16.655 11.041 1.00 0.00 C ATOM 1399 O ALA A 86 -3.059 -17.385 11.801 1.00 0.00 O ATOM 1400 CB ALA A 86 -0.632 -15.168 11.953 1.00 0.00 C ATOM 0 H ALA A 86 0.302 -15.633 9.728 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.543 -17.300 11.801 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.147 -15.175 12.914 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.442 -15.075 12.117 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.982 -14.324 11.359 1.00 0.00 H new ATOM 1406 N ASN A 87 -2.989 -15.992 10.036 1.00 0.00 N ATOM 1407 CA ASN A 87 -4.419 -16.087 9.765 1.00 0.00 C ATOM 1408 C ASN A 87 -4.676 -16.358 8.286 1.00 0.00 C ATOM 1409 O ASN A 87 -4.701 -15.435 7.472 1.00 0.00 O ATOM 1410 CB ASN A 87 -5.126 -14.799 10.190 1.00 0.00 C ATOM 1411 CG ASN A 87 -4.748 -14.367 11.594 1.00 0.00 C ATOM 1412 OD1 ASN A 87 -4.035 -13.251 11.697 1.00 0.00 O flip ATOM 1413 ND2 ASN A 87 -5.092 -15.029 12.573 1.00 0.00 N flip ATOM 0 H ASN A 87 -2.478 -15.384 9.396 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.818 -16.920 10.343 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.877 -14.003 9.489 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.205 -14.945 10.136 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -5.640 -15.880 12.446 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.830 -14.726 13.511 1.00 0.00 H new ATOM 1420 N GLN A 88 -4.866 -17.629 7.947 1.00 0.00 N ATOM 1421 CA GLN A 88 -5.121 -18.020 6.565 1.00 0.00 C ATOM 1422 C GLN A 88 -6.584 -17.796 6.197 1.00 0.00 C ATOM 1423 O GLN A 88 -6.889 -17.128 5.210 1.00 0.00 O ATOM 1424 CB GLN A 88 -4.747 -19.488 6.352 1.00 0.00 C ATOM 1425 CG GLN A 88 -3.304 -19.692 5.921 1.00 0.00 C ATOM 1426 CD GLN A 88 -2.915 -18.814 4.749 1.00 0.00 C ATOM 1427 OE1 GLN A 88 -3.764 -18.401 3.959 1.00 0.00 O ATOM 1428 NE2 GLN A 88 -1.624 -18.524 4.629 1.00 0.00 N ATOM 0 H GLN A 88 -4.848 -18.405 8.609 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.504 -17.397 5.917 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.922 -20.037 7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.407 -19.917 5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.644 -19.481 6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.154 -20.738 5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.954 -18.888 5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.302 -17.937 3.859 1.00 0.00 H new ATOM 1437 N GLU A 89 -7.483 -18.360 6.997 1.00 0.00 N ATOM 1438 CA GLU A 89 -8.914 -18.223 6.754 1.00 0.00 C ATOM 1439 C GLU A 89 -9.282 -16.767 6.478 1.00 0.00 C ATOM 1440 O GLU A 89 -9.659 -16.413 5.362 1.00 0.00 O ATOM 1441 CB GLU A 89 -9.711 -18.743 7.952 1.00 0.00 C ATOM 1442 CG GLU A 89 -9.778 -20.259 8.026 1.00 0.00 C ATOM 1443 CD GLU A 89 -10.991 -20.753 8.789 1.00 0.00 C ATOM 1444 OE1 GLU A 89 -12.116 -20.624 8.262 1.00 0.00 O ATOM 1445 OE2 GLU A 89 -10.816 -21.269 9.913 1.00 0.00 O ATOM 0 H GLU A 89 -7.246 -18.916 7.819 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.165 -18.817 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.262 -18.362 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.725 -18.345 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.798 -20.668 7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.874 -20.636 8.505 1.00 0.00 H new ATOM 1452 N GLN A 90 -9.168 -15.930 7.505 1.00 0.00 N ATOM 1453 CA GLN A 90 -9.490 -14.514 7.374 1.00 0.00 C ATOM 1454 C GLN A 90 -8.973 -13.958 6.051 1.00 0.00 C ATOM 1455 O GLN A 90 -9.748 -13.487 5.219 1.00 0.00 O ATOM 1456 CB GLN A 90 -8.894 -13.724 8.540 1.00 0.00 C ATOM 1457 CG GLN A 90 -9.688 -12.479 8.901 1.00 0.00 C ATOM 1458 CD GLN A 90 -9.227 -11.252 8.139 1.00 0.00 C ATOM 1459 OE1 GLN A 90 -8.190 -11.273 7.475 1.00 0.00 O ATOM 1460 NE2 GLN A 90 -9.996 -10.174 8.232 1.00 0.00 N ATOM 0 H GLN A 90 -8.856 -16.208 8.435 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.575 -14.411 7.391 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.834 -14.372 9.414 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.874 -13.434 8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.744 -12.654 8.696 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.598 -12.293 9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.847 -10.202 8.794 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.736 -9.318 7.742 1.00 0.00 H new ATOM 1469 N TYR A 91 -7.659 -14.017 5.864 1.00 0.00 N ATOM 1470 CA TYR A 91 -7.038 -13.517 4.643 1.00 0.00 C ATOM 1471 C TYR A 91 -7.749 -14.061 3.408 1.00 0.00 C ATOM 1472 O TYR A 91 -8.057 -13.317 2.477 1.00 0.00 O ATOM 1473 CB TYR A 91 -5.558 -13.902 4.604 1.00 0.00 C ATOM 1474 CG TYR A 91 -4.727 -13.023 3.697 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -4.970 -12.976 2.330 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -3.700 -12.239 4.207 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -4.213 -12.175 1.496 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -2.939 -11.434 3.382 1.00 0.00 C ATOM 1479 CZ TYR A 91 -3.199 -11.405 2.027 1.00 0.00 C ATOM 1480 OH TYR A 91 -2.443 -10.605 1.202 1.00 0.00 O ATOM 0 H TYR A 91 -7.004 -14.406 6.542 1.00 0.00 H new ATOM 0 HA TYR A 91 -7.124 -12.430 4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.152 -13.854 5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -5.469 -14.937 4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.765 -13.576 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.493 -12.259 5.267 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.414 -12.152 0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.145 -10.830 3.795 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.851 -9.716 1.146 1.00 0.00 H new ATOM 1490 N ALA A 92 -8.006 -15.365 3.407 1.00 0.00 N ATOM 1491 CA ALA A 92 -8.683 -16.010 2.289 1.00 0.00 C ATOM 1492 C ALA A 92 -9.960 -15.264 1.916 1.00 0.00 C ATOM 1493 O ALA A 92 -10.220 -15.010 0.741 1.00 0.00 O ATOM 1494 CB ALA A 92 -8.996 -17.460 2.627 1.00 0.00 C ATOM 0 H ALA A 92 -7.755 -15.996 4.169 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.014 -15.985 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.502 -17.929 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.069 -17.993 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.642 -17.498 3.504 1.00 0.00 H new ATOM 1500 N GLU A 93 -10.753 -14.917 2.925 1.00 0.00 N ATOM 1501 CA GLU A 93 -12.004 -14.201 2.701 1.00 0.00 C ATOM 1502 C GLU A 93 -11.837 -13.141 1.616 1.00 0.00 C ATOM 1503 O GLU A 93 -12.563 -13.134 0.623 1.00 0.00 O ATOM 1504 CB GLU A 93 -12.483 -13.548 3.999 1.00 0.00 C ATOM 1505 CG GLU A 93 -13.990 -13.364 4.068 1.00 0.00 C ATOM 1506 CD GLU A 93 -14.470 -12.175 3.258 1.00 0.00 C ATOM 1507 OE1 GLU A 93 -13.707 -11.195 3.132 1.00 0.00 O ATOM 1508 OE2 GLU A 93 -15.610 -12.226 2.750 1.00 0.00 O ATOM 0 H GLU A 93 -10.552 -15.120 3.904 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.751 -14.922 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.161 -14.158 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.001 -12.576 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.480 -14.268 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.289 -13.235 5.108 1.00 0.00 H new ATOM 1515 N GLY A 94 -10.875 -12.245 1.815 1.00 0.00 N ATOM 1516 CA GLY A 94 -10.630 -11.192 0.847 1.00 0.00 C ATOM 1517 C GLY A 94 -10.295 -11.735 -0.528 1.00 0.00 C ATOM 1518 O GLY A 94 -11.024 -11.500 -1.492 1.00 0.00 O ATOM 0 H GLY A 94 -10.261 -12.230 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.511 -10.554 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.810 -10.565 1.196 1.00 0.00 H new ATOM 1522 N LYS A 95 -9.186 -12.462 -0.621 1.00 0.00 N ATOM 1523 CA LYS A 95 -8.754 -13.040 -1.888 1.00 0.00 C ATOM 1524 C LYS A 95 -9.817 -13.980 -2.448 1.00 0.00 C ATOM 1525 O LYS A 95 -10.436 -14.743 -1.707 1.00 0.00 O ATOM 1526 CB LYS A 95 -7.436 -13.796 -1.704 1.00 0.00 C ATOM 1527 CG LYS A 95 -7.472 -14.817 -0.580 1.00 0.00 C ATOM 1528 CD LYS A 95 -6.072 -15.203 -0.133 1.00 0.00 C ATOM 1529 CE LYS A 95 -5.346 -16.005 -1.202 1.00 0.00 C ATOM 1530 NZ LYS A 95 -4.674 -15.123 -2.196 1.00 0.00 N ATOM 0 H LYS A 95 -8.570 -12.665 0.166 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.604 -12.226 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.184 -14.303 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.640 -13.078 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.026 -14.409 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.007 -15.707 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.502 -14.303 0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.130 -15.788 0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.606 -16.651 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.056 -16.654 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.126 -15.240 -3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.757 -14.132 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.669 -15.381 -2.265 1.00 0.00 H new ATOM 1544 N MET A 96 -10.022 -13.920 -3.760 1.00 0.00 N ATOM 1545 CA MET A 96 -11.008 -14.769 -4.418 1.00 0.00 C ATOM 1546 C MET A 96 -10.328 -15.902 -5.180 1.00 0.00 C ATOM 1547 O MET A 96 -10.724 -16.236 -6.297 1.00 0.00 O ATOM 1548 CB MET A 96 -11.868 -13.940 -5.374 1.00 0.00 C ATOM 1549 CG MET A 96 -13.236 -14.546 -5.642 1.00 0.00 C ATOM 1550 SD MET A 96 -14.320 -13.437 -6.562 1.00 0.00 S ATOM 1551 CE MET A 96 -15.362 -12.814 -5.246 1.00 0.00 C ATOM 0 H MET A 96 -9.519 -13.293 -4.388 1.00 0.00 H new ATOM 0 HA MET A 96 -11.647 -15.204 -3.650 1.00 0.00 H new ATOM 0 HB2 MET A 96 -11.998 -12.940 -4.959 1.00 0.00 H new ATOM 0 HB3 MET A 96 -11.339 -13.826 -6.320 1.00 0.00 H new ATOM 0 HG2 MET A 96 -13.115 -15.474 -6.200 1.00 0.00 H new ATOM 0 HG3 MET A 96 -13.707 -14.804 -4.693 1.00 0.00 H new ATOM 0 HE1 MET A 96 -16.088 -12.113 -5.658 1.00 0.00 H new ATOM 0 HE2 MET A 96 -15.887 -13.644 -4.774 1.00 0.00 H new ATOM 0 HE3 MET A 96 -14.746 -12.305 -4.504 1.00 0.00 H new ATOM 1561 N ARG A 97 -9.304 -16.488 -4.570 1.00 0.00 N ATOM 1562 CA ARG A 97 -8.568 -17.582 -5.193 1.00 0.00 C ATOM 1563 C ARG A 97 -8.882 -18.908 -4.506 1.00 0.00 C ATOM 1564 O ARG A 97 -9.225 -18.942 -3.325 1.00 0.00 O ATOM 1565 CB ARG A 97 -7.064 -17.311 -5.137 1.00 0.00 C ATOM 1566 CG ARG A 97 -6.539 -16.539 -6.336 1.00 0.00 C ATOM 1567 CD ARG A 97 -6.165 -17.471 -7.478 1.00 0.00 C ATOM 1568 NE ARG A 97 -7.343 -18.040 -8.129 1.00 0.00 N ATOM 1569 CZ ARG A 97 -7.328 -19.182 -8.806 1.00 0.00 C ATOM 1570 NH1 ARG A 97 -6.203 -19.875 -8.920 1.00 0.00 N ATOM 1571 NH2 ARG A 97 -8.441 -19.635 -9.369 1.00 0.00 N ATOM 0 H ARG A 97 -8.965 -16.224 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 97 -8.879 -17.649 -6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.838 -16.753 -4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.535 -18.261 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.296 -15.832 -6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.667 -15.955 -6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.573 -16.925 -8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.537 -18.276 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.225 -17.532 -8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.346 -19.531 -8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.195 -20.752 -9.441 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.309 -19.106 -9.282 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.429 -20.512 -9.889 1.00 0.00 H new ATOM 1585 N GLY A 98 -8.764 -20.000 -5.256 1.00 0.00 N ATOM 1586 CA GLY A 98 -9.039 -21.313 -4.703 1.00 0.00 C ATOM 1587 C GLY A 98 -7.855 -21.886 -3.950 1.00 0.00 C ATOM 1588 O GLY A 98 -6.777 -22.063 -4.518 1.00 0.00 O ATOM 0 H GLY A 98 -8.483 -19.998 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.896 -21.249 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.316 -21.992 -5.509 1.00 0.00 H new ATOM 1592 N ALA A 99 -8.053 -22.174 -2.668 1.00 0.00 N ATOM 1593 CA ALA A 99 -6.992 -22.730 -1.837 1.00 0.00 C ATOM 1594 C ALA A 99 -6.622 -24.138 -2.289 1.00 0.00 C ATOM 1595 O ALA A 99 -7.422 -25.066 -2.179 1.00 0.00 O ATOM 1596 CB ALA A 99 -7.416 -22.737 -0.376 1.00 0.00 C ATOM 0 H ALA A 99 -8.938 -22.032 -2.182 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.110 -22.099 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.615 -23.155 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.624 -21.717 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.314 -23.344 -0.261 1.00 0.00 H new ATOM 1602 N ALA A 100 -5.404 -24.290 -2.798 1.00 0.00 N ATOM 1603 CA ALA A 100 -4.927 -25.585 -3.266 1.00 0.00 C ATOM 1604 C ALA A 100 -4.308 -26.387 -2.125 1.00 0.00 C ATOM 1605 O ALA A 100 -4.191 -27.610 -2.206 1.00 0.00 O ATOM 1606 CB ALA A 100 -3.921 -25.403 -4.392 1.00 0.00 C ATOM 0 H ALA A 100 -4.729 -23.531 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.783 -26.143 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.574 -26.379 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.395 -24.878 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.073 -24.821 -4.031 1.00 0.00 H new TER 1612 ALA A 100