USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 505 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 42 LYS NZ :NH3+ 151:sc= 1.3 (180deg=1.12) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0474 (180deg=-0.445) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -151:sc= 1.27 (180deg=0.379) USER MOD Single : A 6 LYS NZ :NH3+ -108:sc= -0.619 (180deg=-2.66!) USER MOD Single : A 9 LYS NZ :NH3+ 142:sc= 2.11 (180deg=0.112) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 1.21 (180deg=1.07) USER MOD Single : A 12 THR OG1 : rot 148:sc= 0.628 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.07) USER MOD Single : A 24 LYS NZ :NH3+ -108:sc= -0.55 (180deg=-2.53!) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= -0.013 (180deg=-0.172) USER MOD Single : A 34 LYS NZ :NH3+ -129:sc= 0.521 (180deg=-0.121) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.12) USER MOD Single : A 46 THR OG1 : rot -179:sc= -1.65 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= 1 K(o=1,f=-4.1!) USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.12) USER MOD Single : A 58 TYR OH : rot 31:sc= -0.658 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.070 14.050 6.705 1.00 0.00 N ATOM 2 CA MET A 1 0.626 12.786 6.935 1.00 0.00 C ATOM 3 C MET A 1 -0.307 11.593 6.777 1.00 0.00 C ATOM 4 O MET A 1 -0.157 10.803 5.850 1.00 0.00 O ATOM 5 CB MET A 1 1.313 12.763 8.312 1.00 0.00 C ATOM 6 CG MET A 1 1.984 11.426 8.642 1.00 0.00 C ATOM 7 SD MET A 1 2.867 11.439 10.215 1.00 0.00 S ATOM 8 CE MET A 1 4.199 12.591 9.845 1.00 0.00 C ATOM 0 H1 MET A 1 0.597 14.840 6.821 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.457 14.063 5.740 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.846 14.149 7.390 1.00 0.00 H new ATOM 0 HA MET A 1 1.400 12.706 6.172 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.062 13.554 8.348 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.574 12.988 9.081 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.226 10.643 8.665 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.681 11.171 7.844 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.998 12.470 10.576 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.587 12.390 8.847 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.819 13.612 9.887 1.00 0.00 H new ATOM 20 N SER A 2 -1.261 11.453 7.664 1.00 0.00 N ATOM 21 CA SER A 2 -2.167 10.339 7.605 1.00 0.00 C ATOM 22 C SER A 2 -3.340 10.709 6.705 1.00 0.00 C ATOM 23 O SER A 2 -4.401 11.145 7.169 1.00 0.00 O ATOM 24 CB SER A 2 -2.630 9.984 9.010 1.00 0.00 C ATOM 25 OG SER A 2 -1.507 9.955 9.899 1.00 0.00 O ATOM 0 H SER A 2 -1.428 12.099 8.435 1.00 0.00 H new ATOM 0 HA SER A 2 -1.672 9.463 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.361 10.714 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.126 9.014 9.005 1.00 0.00 H new ATOM 0 HG SER A 2 -1.811 9.728 10.803 1.00 0.00 H new ATOM 31 N SER A 3 -3.106 10.635 5.431 1.00 0.00 N ATOM 32 CA SER A 3 -4.073 11.031 4.463 1.00 0.00 C ATOM 33 C SER A 3 -5.014 9.883 4.110 1.00 0.00 C ATOM 34 O SER A 3 -4.732 9.080 3.209 1.00 0.00 O ATOM 35 CB SER A 3 -3.349 11.560 3.235 1.00 0.00 C ATOM 36 OG SER A 3 -2.330 12.483 3.631 1.00 0.00 O ATOM 0 H SER A 3 -2.230 10.295 5.034 1.00 0.00 H new ATOM 0 HA SER A 3 -4.697 11.822 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.907 10.734 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.057 12.051 2.568 1.00 0.00 H new ATOM 0 HG SER A 3 -1.866 12.819 2.836 1.00 0.00 H new ATOM 42 N GLY A 4 -6.079 9.762 4.890 1.00 0.00 N ATOM 43 CA GLY A 4 -7.104 8.768 4.647 1.00 0.00 C ATOM 44 C GLY A 4 -6.692 7.373 5.071 1.00 0.00 C ATOM 45 O GLY A 4 -7.259 6.800 6.006 1.00 0.00 O ATOM 0 H GLY A 4 -6.253 10.350 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.010 9.051 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.350 8.761 3.585 1.00 0.00 H new ATOM 49 N LYS A 5 -5.699 6.854 4.413 1.00 0.00 N ATOM 50 CA LYS A 5 -5.216 5.517 4.647 1.00 0.00 C ATOM 51 C LYS A 5 -4.132 5.536 5.716 1.00 0.00 C ATOM 52 O LYS A 5 -3.865 6.578 6.337 1.00 0.00 O ATOM 53 CB LYS A 5 -4.675 4.925 3.342 1.00 0.00 C ATOM 54 CG LYS A 5 -5.686 4.931 2.208 1.00 0.00 C ATOM 55 CD LYS A 5 -5.110 4.387 0.905 1.00 0.00 C ATOM 56 CE LYS A 5 -3.955 5.237 0.411 1.00 0.00 C ATOM 57 NZ LYS A 5 -3.483 4.823 -0.921 1.00 0.00 N ATOM 0 H LYS A 5 -5.189 7.353 3.684 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.038 4.893 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.794 5.488 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.351 3.900 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.552 4.334 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.040 5.949 2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.771 3.362 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.891 4.356 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.265 6.281 0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.131 5.174 1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.471 5.044 -1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.626 3.799 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.018 5.333 -1.653 1.00 0.00 H new ATOM 71 N LYS A 6 -3.517 4.411 5.925 1.00 0.00 N ATOM 72 CA LYS A 6 -2.506 4.276 6.937 1.00 0.00 C ATOM 73 C LYS A 6 -1.127 4.561 6.347 1.00 0.00 C ATOM 74 O LYS A 6 -0.784 4.041 5.283 1.00 0.00 O ATOM 75 CB LYS A 6 -2.570 2.873 7.584 1.00 0.00 C ATOM 76 CG LYS A 6 -2.436 1.709 6.602 1.00 0.00 C ATOM 77 CD LYS A 6 -2.569 0.316 7.250 1.00 0.00 C ATOM 78 CE LYS A 6 -1.460 -0.027 8.261 1.00 0.00 C ATOM 79 NZ LYS A 6 -1.589 0.664 9.572 1.00 0.00 N ATOM 0 H LYS A 6 -3.701 3.557 5.399 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.691 5.008 7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.778 2.795 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.517 2.776 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.197 1.812 5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.467 1.776 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.534 0.254 7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.571 -0.438 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.460 -1.104 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.495 0.227 7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.854 1.396 9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.528 1.107 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.475 -0.027 10.341 1.00 0.00 H new ATOM 93 N PRO A 7 -0.346 5.433 6.978 1.00 0.00 N ATOM 94 CA PRO A 7 0.992 5.732 6.519 1.00 0.00 C ATOM 95 C PRO A 7 2.023 4.723 7.033 1.00 0.00 C ATOM 96 O PRO A 7 1.692 3.802 7.805 1.00 0.00 O ATOM 97 CB PRO A 7 1.265 7.125 7.090 1.00 0.00 C ATOM 98 CG PRO A 7 0.398 7.241 8.303 1.00 0.00 C ATOM 99 CD PRO A 7 -0.714 6.223 8.168 1.00 0.00 C ATOM 0 HA PRO A 7 1.070 5.685 5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.317 7.243 7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.026 7.900 6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.978 7.057 9.207 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.012 8.248 8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.787 5.594 9.055 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.682 6.707 8.040 1.00 0.00 H new ATOM 107 N VAL A 8 3.238 4.861 6.580 1.00 0.00 N ATOM 108 CA VAL A 8 4.333 4.050 7.033 1.00 0.00 C ATOM 109 C VAL A 8 5.584 4.910 7.061 1.00 0.00 C ATOM 110 O VAL A 8 5.759 5.785 6.204 1.00 0.00 O ATOM 111 CB VAL A 8 4.536 2.771 6.139 1.00 0.00 C ATOM 112 CG1 VAL A 8 4.870 3.115 4.705 1.00 0.00 C ATOM 113 CG2 VAL A 8 5.574 1.823 6.731 1.00 0.00 C ATOM 0 H VAL A 8 3.499 5.551 5.875 1.00 0.00 H new ATOM 0 HA VAL A 8 4.113 3.681 8.035 1.00 0.00 H new ATOM 0 HB VAL A 8 3.578 2.251 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.000 2.197 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.059 3.701 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.792 3.695 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.684 0.953 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.531 2.337 6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.249 1.500 7.720 1.00 0.00 H new ATOM 123 N LYS A 9 6.399 4.729 8.071 1.00 0.00 N ATOM 124 CA LYS A 9 7.622 5.469 8.188 1.00 0.00 C ATOM 125 C LYS A 9 8.609 4.908 7.180 1.00 0.00 C ATOM 126 O LYS A 9 9.082 3.776 7.320 1.00 0.00 O ATOM 127 CB LYS A 9 8.134 5.370 9.627 1.00 0.00 C ATOM 128 CG LYS A 9 9.289 6.282 9.937 1.00 0.00 C ATOM 129 CD LYS A 9 9.568 6.333 11.421 1.00 0.00 C ATOM 130 CE LYS A 9 10.691 7.305 11.746 1.00 0.00 C ATOM 131 NZ LYS A 9 10.415 8.680 11.255 1.00 0.00 N ATOM 0 H LYS A 9 6.231 4.067 8.829 1.00 0.00 H new ATOM 0 HA LYS A 9 7.475 6.527 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.314 5.597 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.436 4.341 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.178 5.937 9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.071 7.285 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.664 6.630 11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.833 5.337 11.776 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.843 7.332 12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.619 6.944 11.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.761 9.373 11.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.900 8.828 10.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.391 8.803 11.124 1.00 0.00 H new ATOM 145 N VAL A 10 8.881 5.674 6.161 1.00 0.00 N ATOM 146 CA VAL A 10 9.656 5.208 5.052 1.00 0.00 C ATOM 147 C VAL A 10 10.802 6.169 4.721 1.00 0.00 C ATOM 148 O VAL A 10 10.672 7.390 4.866 1.00 0.00 O ATOM 149 CB VAL A 10 8.725 4.996 3.816 1.00 0.00 C ATOM 150 CG1 VAL A 10 8.066 6.289 3.360 1.00 0.00 C ATOM 151 CG2 VAL A 10 9.440 4.316 2.670 1.00 0.00 C ATOM 0 H VAL A 10 8.569 6.642 6.078 1.00 0.00 H new ATOM 0 HA VAL A 10 10.110 4.255 5.323 1.00 0.00 H new ATOM 0 HB VAL A 10 7.931 4.327 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.429 6.089 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.462 6.695 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.834 7.011 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.751 4.191 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.286 4.927 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.799 3.339 2.994 1.00 0.00 H new ATOM 161 N LYS A 11 11.928 5.597 4.342 1.00 0.00 N ATOM 162 CA LYS A 11 13.104 6.355 3.939 1.00 0.00 C ATOM 163 C LYS A 11 12.903 6.895 2.528 1.00 0.00 C ATOM 164 O LYS A 11 12.731 6.115 1.574 1.00 0.00 O ATOM 165 CB LYS A 11 14.356 5.468 3.989 1.00 0.00 C ATOM 166 CG LYS A 11 14.698 4.947 5.376 1.00 0.00 C ATOM 167 CD LYS A 11 15.920 4.044 5.347 1.00 0.00 C ATOM 168 CE LYS A 11 16.296 3.549 6.741 1.00 0.00 C ATOM 169 NZ LYS A 11 15.222 2.745 7.373 1.00 0.00 N ATOM 0 H LYS A 11 12.057 4.586 4.304 1.00 0.00 H new ATOM 0 HA LYS A 11 13.243 7.188 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.213 4.620 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.205 6.036 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.881 5.787 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.848 4.397 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.725 3.190 4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.761 4.586 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.203 2.948 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.525 4.405 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.646 2.033 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.601 3.369 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.665 2.268 6.635 1.00 0.00 H new ATOM 183 N THR A 12 12.933 8.194 2.392 1.00 0.00 N ATOM 184 CA THR A 12 12.680 8.845 1.134 1.00 0.00 C ATOM 185 C THR A 12 14.010 9.073 0.375 1.00 0.00 C ATOM 186 O THR A 12 15.103 8.826 0.931 1.00 0.00 O ATOM 187 CB THR A 12 11.962 10.209 1.373 1.00 0.00 C ATOM 188 OG1 THR A 12 12.859 11.171 1.939 1.00 0.00 O ATOM 189 CG2 THR A 12 10.768 10.048 2.299 1.00 0.00 C ATOM 0 H THR A 12 13.136 8.836 3.158 1.00 0.00 H new ATOM 0 HA THR A 12 12.035 8.206 0.531 1.00 0.00 H new ATOM 0 HB THR A 12 11.618 10.561 0.401 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.617 12.068 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.289 11.016 2.446 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.055 9.353 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.103 9.659 3.261 1.00 0.00 H new ATOM 197 N PRO A 13 13.970 9.547 -0.902 1.00 0.00 N ATOM 198 CA PRO A 13 15.180 9.837 -1.675 1.00 0.00 C ATOM 199 C PRO A 13 15.938 11.049 -1.122 1.00 0.00 C ATOM 200 O PRO A 13 17.104 11.283 -1.468 1.00 0.00 O ATOM 201 CB PRO A 13 14.656 10.140 -3.088 1.00 0.00 C ATOM 202 CG PRO A 13 13.250 9.660 -3.092 1.00 0.00 C ATOM 203 CD PRO A 13 12.766 9.802 -1.693 1.00 0.00 C ATOM 0 HA PRO A 13 15.886 9.007 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.709 11.206 -3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.249 9.629 -3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.639 10.247 -3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.192 8.623 -3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.362 10.797 -1.504 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.974 9.088 -1.465 1.00 0.00 H new ATOM 211 N ALA A 14 15.274 11.818 -0.264 1.00 0.00 N ATOM 212 CA ALA A 14 15.895 12.969 0.373 1.00 0.00 C ATOM 213 C ALA A 14 16.861 12.504 1.461 1.00 0.00 C ATOM 214 O ALA A 14 17.756 13.238 1.873 1.00 0.00 O ATOM 215 CB ALA A 14 14.838 13.901 0.947 1.00 0.00 C ATOM 0 H ALA A 14 14.303 11.662 0.005 1.00 0.00 H new ATOM 0 HA ALA A 14 16.458 13.525 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 14 15.324 14.755 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 14 14.187 14.251 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.245 13.366 1.688 1.00 0.00 H new ATOM 221 N GLY A 15 16.683 11.266 1.907 1.00 0.00 N ATOM 222 CA GLY A 15 17.568 10.699 2.898 1.00 0.00 C ATOM 223 C GLY A 15 16.959 10.680 4.276 1.00 0.00 C ATOM 224 O GLY A 15 17.590 10.229 5.239 1.00 0.00 O ATOM 0 H GLY A 15 15.936 10.645 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 15 17.830 9.682 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.495 11.272 2.922 1.00 0.00 H new ATOM 228 N LYS A 16 15.744 11.131 4.373 1.00 0.00 N ATOM 229 CA LYS A 16 15.049 11.199 5.635 1.00 0.00 C ATOM 230 C LYS A 16 13.991 10.114 5.677 1.00 0.00 C ATOM 231 O LYS A 16 13.559 9.630 4.637 1.00 0.00 O ATOM 232 CB LYS A 16 14.437 12.598 5.807 1.00 0.00 C ATOM 233 CG LYS A 16 13.429 12.966 4.730 1.00 0.00 C ATOM 234 CD LYS A 16 13.251 14.475 4.616 1.00 0.00 C ATOM 235 CE LYS A 16 12.676 15.102 5.874 1.00 0.00 C ATOM 236 NZ LYS A 16 12.669 16.573 5.784 1.00 0.00 N ATOM 0 H LYS A 16 15.199 11.465 3.578 1.00 0.00 H new ATOM 0 HA LYS A 16 15.740 11.033 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.950 12.654 6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.238 13.337 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.758 12.565 3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.469 12.502 4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.215 14.933 4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.594 14.695 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.660 14.740 6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.262 14.791 6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.079 16.965 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.641 16.931 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.282 16.863 4.863 1.00 0.00 H new ATOM 250 N GLU A 17 13.605 9.722 6.848 1.00 0.00 N ATOM 251 CA GLU A 17 12.629 8.696 7.011 1.00 0.00 C ATOM 252 C GLU A 17 11.402 9.286 7.691 1.00 0.00 C ATOM 253 O GLU A 17 11.418 9.585 8.889 1.00 0.00 O ATOM 254 CB GLU A 17 13.202 7.541 7.832 1.00 0.00 C ATOM 255 CG GLU A 17 12.278 6.358 7.890 1.00 0.00 C ATOM 256 CD GLU A 17 12.780 5.230 8.758 1.00 0.00 C ATOM 257 OE1 GLU A 17 12.749 5.360 9.992 1.00 0.00 O ATOM 258 OE2 GLU A 17 13.189 4.179 8.227 1.00 0.00 O ATOM 0 H GLU A 17 13.961 10.107 7.723 1.00 0.00 H new ATOM 0 HA GLU A 17 12.345 8.301 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.155 7.232 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.407 7.887 8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.308 6.686 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.121 5.983 6.879 1.00 0.00 H new ATOM 265 N ALA A 18 10.356 9.453 6.942 1.00 0.00 N ATOM 266 CA ALA A 18 9.158 10.078 7.444 1.00 0.00 C ATOM 267 C ALA A 18 7.962 9.205 7.156 1.00 0.00 C ATOM 268 O ALA A 18 8.022 8.328 6.293 1.00 0.00 O ATOM 269 CB ALA A 18 8.981 11.457 6.815 1.00 0.00 C ATOM 0 H ALA A 18 10.302 9.162 5.966 1.00 0.00 H new ATOM 0 HA ALA A 18 9.246 10.201 8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.073 11.919 7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.840 12.082 7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.904 11.356 5.732 1.00 0.00 H new ATOM 275 N GLU A 19 6.897 9.416 7.880 1.00 0.00 N ATOM 276 CA GLU A 19 5.695 8.659 7.678 1.00 0.00 C ATOM 277 C GLU A 19 4.910 9.205 6.508 1.00 0.00 C ATOM 278 O GLU A 19 4.354 10.313 6.564 1.00 0.00 O ATOM 279 CB GLU A 19 4.819 8.587 8.940 1.00 0.00 C ATOM 280 CG GLU A 19 5.475 7.920 10.152 1.00 0.00 C ATOM 281 CD GLU A 19 6.384 8.831 10.957 1.00 0.00 C ATOM 282 OE1 GLU A 19 7.583 8.956 10.642 1.00 0.00 O ATOM 283 OE2 GLU A 19 5.905 9.413 11.951 1.00 0.00 O ATOM 0 H GLU A 19 6.839 10.113 8.622 1.00 0.00 H new ATOM 0 HA GLU A 19 6.000 7.637 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.525 9.599 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.905 8.045 8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.693 7.537 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.053 7.062 9.810 1.00 0.00 H new ATOM 290 N LEU A 20 4.902 8.453 5.451 1.00 0.00 N ATOM 291 CA LEU A 20 4.192 8.794 4.248 1.00 0.00 C ATOM 292 C LEU A 20 3.178 7.714 3.991 1.00 0.00 C ATOM 293 O LEU A 20 3.408 6.549 4.344 1.00 0.00 O ATOM 294 CB LEU A 20 5.155 8.862 3.050 1.00 0.00 C ATOM 295 CG LEU A 20 6.265 9.917 3.087 1.00 0.00 C ATOM 296 CD1 LEU A 20 7.175 9.746 1.886 1.00 0.00 C ATOM 297 CD2 LEU A 20 5.678 11.313 3.073 1.00 0.00 C ATOM 0 H LEU A 20 5.399 7.564 5.395 1.00 0.00 H new ATOM 0 HA LEU A 20 3.716 9.767 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.625 7.885 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.561 9.031 2.152 1.00 0.00 H new ATOM 0 HG LEU A 20 6.835 9.783 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.963 10.499 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.622 8.752 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.595 9.865 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.484 12.047 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.091 11.452 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.036 11.447 3.944 1.00 0.00 H new ATOM 309 N VAL A 21 2.057 8.075 3.448 1.00 0.00 N ATOM 310 CA VAL A 21 1.080 7.111 3.087 1.00 0.00 C ATOM 311 C VAL A 21 1.227 6.776 1.603 1.00 0.00 C ATOM 312 O VAL A 21 1.324 7.681 0.765 1.00 0.00 O ATOM 313 CB VAL A 21 -0.368 7.559 3.477 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.774 8.859 2.840 1.00 0.00 C ATOM 315 CG2 VAL A 21 -1.395 6.489 3.192 1.00 0.00 C ATOM 0 H VAL A 21 1.800 9.041 3.246 1.00 0.00 H new ATOM 0 HA VAL A 21 1.252 6.199 3.658 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.337 7.722 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.787 9.115 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.089 9.647 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.740 8.759 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.383 6.848 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.390 6.254 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.154 5.592 3.763 1.00 0.00 H new ATOM 325 N PRO A 22 1.344 5.474 1.271 1.00 0.00 N ATOM 326 CA PRO A 22 1.500 5.031 -0.106 1.00 0.00 C ATOM 327 C PRO A 22 0.326 5.466 -0.974 1.00 0.00 C ATOM 328 O PRO A 22 -0.836 5.371 -0.566 1.00 0.00 O ATOM 329 CB PRO A 22 1.533 3.502 -0.014 1.00 0.00 C ATOM 330 CG PRO A 22 1.828 3.185 1.409 1.00 0.00 C ATOM 331 CD PRO A 22 1.334 4.340 2.221 1.00 0.00 C ATOM 0 HA PRO A 22 2.394 5.457 -0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.580 3.072 -0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.296 3.088 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.333 2.261 1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.898 3.037 1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.333 4.155 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.980 4.531 3.078 1.00 0.00 H new ATOM 339 N GLU A 23 0.638 5.947 -2.156 1.00 0.00 N ATOM 340 CA GLU A 23 -0.353 6.371 -3.120 1.00 0.00 C ATOM 341 C GLU A 23 -1.091 5.119 -3.582 1.00 0.00 C ATOM 342 O GLU A 23 -2.321 5.071 -3.632 1.00 0.00 O ATOM 343 CB GLU A 23 0.381 7.108 -4.274 1.00 0.00 C ATOM 344 CG GLU A 23 -0.479 7.858 -5.300 1.00 0.00 C ATOM 345 CD GLU A 23 -1.171 6.983 -6.326 1.00 0.00 C ATOM 346 OE1 GLU A 23 -0.503 6.495 -7.258 1.00 0.00 O ATOM 347 OE2 GLU A 23 -2.402 6.808 -6.251 1.00 0.00 O ATOM 0 H GLU A 23 1.599 6.056 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.085 7.066 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.073 7.823 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.982 6.375 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.236 8.431 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.153 8.575 -5.825 1.00 0.00 H new ATOM 354 N LYS A 24 -0.323 4.084 -3.806 1.00 0.00 N ATOM 355 CA LYS A 24 -0.826 2.804 -4.209 1.00 0.00 C ATOM 356 C LYS A 24 0.097 1.743 -3.614 1.00 0.00 C ATOM 357 O LYS A 24 1.294 2.024 -3.392 1.00 0.00 O ATOM 358 CB LYS A 24 -0.859 2.702 -5.753 1.00 0.00 C ATOM 359 CG LYS A 24 0.513 2.803 -6.410 1.00 0.00 C ATOM 360 CD LYS A 24 0.504 2.816 -7.951 1.00 0.00 C ATOM 361 CE LYS A 24 -0.051 1.536 -8.599 1.00 0.00 C ATOM 362 NZ LYS A 24 -1.523 1.403 -8.509 1.00 0.00 N ATOM 0 H LYS A 24 0.692 4.112 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.846 2.659 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.317 1.754 -6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.498 3.493 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.001 3.712 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.122 1.964 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.088 3.666 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.522 2.975 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.241 1.517 -9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.411 0.671 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.763 0.658 -7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.935 2.306 -8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.907 1.152 -9.442 1.00 0.00 H new ATOM 376 N VAL A 25 -0.437 0.575 -3.325 1.00 0.00 N ATOM 377 CA VAL A 25 0.348 -0.523 -2.769 1.00 0.00 C ATOM 378 C VAL A 25 0.207 -1.750 -3.644 1.00 0.00 C ATOM 379 O VAL A 25 -0.808 -1.916 -4.339 1.00 0.00 O ATOM 380 CB VAL A 25 -0.067 -0.892 -1.305 1.00 0.00 C ATOM 381 CG1 VAL A 25 0.175 0.260 -0.353 1.00 0.00 C ATOM 382 CG2 VAL A 25 -1.522 -1.339 -1.233 1.00 0.00 C ATOM 0 H VAL A 25 -1.423 0.354 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 25 1.383 -0.183 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 25 0.562 -1.727 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.124 -0.031 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.234 0.519 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.410 1.123 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.776 -1.587 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.168 -0.533 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.665 -2.217 -1.863 1.00 0.00 H new ATOM 392 N TRP A 26 1.222 -2.571 -3.666 1.00 0.00 N ATOM 393 CA TRP A 26 1.185 -3.800 -4.402 1.00 0.00 C ATOM 394 C TRP A 26 2.177 -4.779 -3.820 1.00 0.00 C ATOM 395 O TRP A 26 2.987 -4.411 -2.972 1.00 0.00 O ATOM 396 CB TRP A 26 1.414 -3.576 -5.920 1.00 0.00 C ATOM 397 CG TRP A 26 2.743 -2.988 -6.337 1.00 0.00 C ATOM 398 CD1 TRP A 26 3.780 -3.661 -6.893 1.00 0.00 C ATOM 399 CD2 TRP A 26 3.162 -1.614 -6.259 1.00 0.00 C ATOM 400 NE1 TRP A 26 4.807 -2.802 -7.177 1.00 0.00 N ATOM 401 CE2 TRP A 26 4.456 -1.543 -6.791 1.00 0.00 C ATOM 402 CE3 TRP A 26 2.573 -0.445 -5.791 1.00 0.00 C ATOM 403 CZ2 TRP A 26 5.162 -0.348 -6.873 1.00 0.00 C ATOM 404 CZ3 TRP A 26 3.282 0.730 -5.871 1.00 0.00 C ATOM 405 CH2 TRP A 26 4.556 0.772 -6.406 1.00 0.00 C ATOM 0 H TRP A 26 2.099 -2.404 -3.172 1.00 0.00 H new ATOM 0 HA TRP A 26 0.186 -4.226 -4.306 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.295 -4.535 -6.425 1.00 0.00 H new ATOM 0 HB3 TRP A 26 0.624 -2.921 -6.288 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.794 -4.724 -7.085 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.694 -3.063 -7.609 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.577 -0.460 -5.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.156 -0.313 -7.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.833 1.642 -5.507 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.079 1.716 -6.453 1.00 0.00 H new ATOM 416 N ALA A 27 2.092 -6.012 -4.238 1.00 0.00 N ATOM 417 CA ALA A 27 2.993 -7.033 -3.773 1.00 0.00 C ATOM 418 C ALA A 27 3.415 -7.908 -4.924 1.00 0.00 C ATOM 419 O ALA A 27 2.655 -8.096 -5.883 1.00 0.00 O ATOM 420 CB ALA A 27 2.355 -7.868 -2.675 1.00 0.00 C ATOM 0 H ALA A 27 1.397 -6.338 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 27 3.874 -6.549 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.059 -8.631 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.094 -7.225 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.454 -8.347 -3.059 1.00 0.00 H new ATOM 426 N LEU A 28 4.623 -8.392 -4.854 1.00 0.00 N ATOM 427 CA LEU A 28 5.182 -9.256 -5.867 1.00 0.00 C ATOM 428 C LEU A 28 5.474 -10.625 -5.280 1.00 0.00 C ATOM 429 O LEU A 28 6.336 -10.769 -4.399 1.00 0.00 O ATOM 430 CB LEU A 28 6.482 -8.672 -6.470 1.00 0.00 C ATOM 431 CG LEU A 28 6.381 -7.379 -7.304 1.00 0.00 C ATOM 432 CD1 LEU A 28 6.081 -6.169 -6.442 1.00 0.00 C ATOM 433 CD2 LEU A 28 7.650 -7.161 -8.085 1.00 0.00 C ATOM 0 H LEU A 28 5.260 -8.197 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 28 4.445 -9.340 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.175 -8.486 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.932 -9.440 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 28 5.548 -7.502 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.019 -5.281 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.132 -6.316 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.876 -6.039 -5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.565 -6.245 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.491 -7.076 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.814 -8.005 -8.755 1.00 0.00 H new ATOM 445 N ALA A 29 4.765 -11.614 -5.744 1.00 0.00 N ATOM 446 CA ALA A 29 4.950 -12.971 -5.280 1.00 0.00 C ATOM 447 C ALA A 29 4.935 -13.922 -6.466 1.00 0.00 C ATOM 448 O ALA A 29 3.867 -14.195 -7.024 1.00 0.00 O ATOM 449 CB ALA A 29 3.864 -13.351 -4.282 1.00 0.00 C ATOM 0 H ALA A 29 4.041 -11.509 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 29 5.913 -13.043 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.022 -14.376 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.905 -12.677 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.887 -13.272 -4.760 1.00 0.00 H new ATOM 455 N PRO A 30 6.111 -14.354 -6.939 1.00 0.00 N ATOM 456 CA PRO A 30 6.206 -15.300 -8.044 1.00 0.00 C ATOM 457 C PRO A 30 5.939 -16.742 -7.588 1.00 0.00 C ATOM 458 O PRO A 30 4.930 -17.343 -7.958 1.00 0.00 O ATOM 459 CB PRO A 30 7.653 -15.143 -8.552 1.00 0.00 C ATOM 460 CG PRO A 30 8.249 -14.023 -7.746 1.00 0.00 C ATOM 461 CD PRO A 30 7.436 -13.927 -6.487 1.00 0.00 C ATOM 0 HA PRO A 30 5.462 -15.100 -8.815 1.00 0.00 H new ATOM 0 HB2 PRO A 30 8.217 -16.066 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.671 -14.911 -9.617 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.296 -14.223 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.217 -13.085 -8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.826 -14.574 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.422 -12.913 -6.088 1.00 0.00 H new ATOM 469 N LYS A 31 6.830 -17.277 -6.781 1.00 0.00 N ATOM 470 CA LYS A 31 6.700 -18.620 -6.252 1.00 0.00 C ATOM 471 C LYS A 31 6.765 -18.543 -4.728 1.00 0.00 C ATOM 472 O LYS A 31 6.222 -17.599 -4.141 1.00 0.00 O ATOM 473 CB LYS A 31 7.817 -19.517 -6.804 1.00 0.00 C ATOM 474 CG LYS A 31 7.811 -19.688 -8.306 1.00 0.00 C ATOM 475 CD LYS A 31 8.972 -20.552 -8.760 1.00 0.00 C ATOM 476 CE LYS A 31 8.933 -20.807 -10.256 1.00 0.00 C ATOM 477 NZ LYS A 31 8.959 -19.557 -11.043 1.00 0.00 N ATOM 0 H LYS A 31 7.671 -16.790 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 31 5.748 -19.055 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.779 -19.101 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.736 -20.500 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.871 -20.142 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.870 -18.712 -8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.912 -20.065 -8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.947 -21.503 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.783 -21.428 -10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.032 -21.369 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.101 -19.783 -12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.056 -19.054 -10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.738 -18.953 -10.710 1.00 0.00 H new ATOM 491 N GLY A 32 7.403 -19.522 -4.091 1.00 0.00 N ATOM 492 CA GLY A 32 7.500 -19.562 -2.643 1.00 0.00 C ATOM 493 C GLY A 32 8.402 -18.482 -2.080 1.00 0.00 C ATOM 494 O GLY A 32 9.588 -18.713 -1.833 1.00 0.00 O ATOM 0 H GLY A 32 7.862 -20.301 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.503 -19.455 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.876 -20.538 -2.336 1.00 0.00 H new ATOM 498 N ARG A 33 7.838 -17.318 -1.886 1.00 0.00 N ATOM 499 CA ARG A 33 8.520 -16.165 -1.361 1.00 0.00 C ATOM 500 C ARG A 33 7.426 -15.383 -0.612 1.00 0.00 C ATOM 501 O ARG A 33 6.244 -15.559 -0.934 1.00 0.00 O ATOM 502 CB ARG A 33 9.067 -15.335 -2.567 1.00 0.00 C ATOM 503 CG ARG A 33 10.356 -14.499 -2.340 1.00 0.00 C ATOM 504 CD ARG A 33 10.240 -13.476 -1.225 1.00 0.00 C ATOM 505 NE ARG A 33 11.391 -12.574 -1.161 1.00 0.00 N ATOM 506 CZ ARG A 33 12.144 -12.341 -0.072 1.00 0.00 C ATOM 507 NH1 ARG A 33 12.057 -13.142 0.987 1.00 0.00 N ATOM 508 NH2 ARG A 33 13.024 -11.338 -0.073 1.00 0.00 N ATOM 0 H ARG A 33 6.856 -17.141 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 33 9.359 -16.404 -0.708 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.254 -16.023 -3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.279 -14.656 -2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.180 -15.175 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.611 -13.984 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.332 -12.890 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.137 -13.994 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 33 11.644 -12.079 -2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.417 -13.936 0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.630 -12.962 1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.125 -10.749 -0.900 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.596 -11.160 0.753 1.00 0.00 H new ATOM 522 N LYS A 34 7.809 -14.582 0.396 1.00 0.00 N ATOM 523 CA LYS A 34 6.880 -13.734 1.202 1.00 0.00 C ATOM 524 C LYS A 34 5.832 -13.025 0.359 1.00 0.00 C ATOM 525 O LYS A 34 4.646 -13.008 0.699 1.00 0.00 O ATOM 526 CB LYS A 34 7.657 -12.625 1.928 1.00 0.00 C ATOM 527 CG LYS A 34 8.550 -13.044 3.072 1.00 0.00 C ATOM 528 CD LYS A 34 7.754 -13.571 4.249 1.00 0.00 C ATOM 529 CE LYS A 34 8.636 -13.695 5.479 1.00 0.00 C ATOM 530 NZ LYS A 34 9.119 -12.371 5.946 1.00 0.00 N ATOM 0 H LYS A 34 8.783 -14.496 0.687 1.00 0.00 H new ATOM 0 HA LYS A 34 6.393 -14.423 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.271 -12.106 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.936 -11.902 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.242 -13.813 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.152 -12.194 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.920 -12.902 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.328 -14.543 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.078 -14.181 6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.489 -14.334 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.151 -12.402 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.876 -11.645 5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.669 -12.138 6.854 1.00 0.00 H new ATOM 544 N GLY A 35 6.276 -12.455 -0.722 1.00 0.00 N ATOM 545 CA GLY A 35 5.432 -11.616 -1.494 1.00 0.00 C ATOM 546 C GLY A 35 5.768 -10.220 -1.120 1.00 0.00 C ATOM 547 O GLY A 35 5.175 -9.658 -0.195 1.00 0.00 O ATOM 0 H GLY A 35 7.224 -12.561 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.591 -11.781 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.383 -11.830 -1.292 1.00 0.00 H new ATOM 551 N VAL A 36 6.704 -9.652 -1.832 1.00 0.00 N ATOM 552 CA VAL A 36 7.276 -8.384 -1.446 1.00 0.00 C ATOM 553 C VAL A 36 6.344 -7.235 -1.713 1.00 0.00 C ATOM 554 O VAL A 36 5.946 -6.972 -2.845 1.00 0.00 O ATOM 555 CB VAL A 36 8.684 -8.133 -2.070 1.00 0.00 C ATOM 556 CG1 VAL A 36 9.707 -9.077 -1.464 1.00 0.00 C ATOM 557 CG2 VAL A 36 8.667 -8.297 -3.587 1.00 0.00 C ATOM 0 H VAL A 36 7.091 -10.048 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 36 7.421 -8.444 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 36 8.961 -7.103 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.684 -8.889 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.761 -8.912 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.411 -10.108 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.666 -8.114 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.356 -9.311 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.967 -7.584 -4.022 1.00 0.00 H new ATOM 567 N LYS A 37 5.954 -6.609 -0.640 1.00 0.00 N ATOM 568 CA LYS A 37 5.062 -5.490 -0.662 1.00 0.00 C ATOM 569 C LYS A 37 5.839 -4.248 -1.002 1.00 0.00 C ATOM 570 O LYS A 37 6.898 -4.004 -0.430 1.00 0.00 O ATOM 571 CB LYS A 37 4.404 -5.331 0.707 1.00 0.00 C ATOM 572 CG LYS A 37 3.559 -6.521 1.143 1.00 0.00 C ATOM 573 CD LYS A 37 2.922 -6.254 2.491 1.00 0.00 C ATOM 574 CE LYS A 37 1.938 -7.349 2.908 1.00 0.00 C ATOM 575 NZ LYS A 37 2.580 -8.642 3.201 1.00 0.00 N ATOM 0 H LYS A 37 6.257 -6.871 0.298 1.00 0.00 H new ATOM 0 HA LYS A 37 4.287 -5.652 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.181 -5.161 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.775 -4.441 0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.785 -6.716 0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.180 -7.415 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.703 -6.167 3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.401 -5.297 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.391 -7.017 3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.206 -7.489 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.924 -9.241 3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.827 -9.117 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.443 -8.483 3.759 1.00 0.00 H new ATOM 589 N ILE A 38 5.349 -3.494 -1.935 1.00 0.00 N ATOM 590 CA ILE A 38 5.984 -2.275 -2.357 1.00 0.00 C ATOM 591 C ILE A 38 4.916 -1.205 -2.462 1.00 0.00 C ATOM 592 O ILE A 38 3.770 -1.496 -2.826 1.00 0.00 O ATOM 593 CB ILE A 38 6.721 -2.448 -3.738 1.00 0.00 C ATOM 594 CG1 ILE A 38 7.740 -3.598 -3.652 1.00 0.00 C ATOM 595 CG2 ILE A 38 7.429 -1.153 -4.153 1.00 0.00 C ATOM 596 CD1 ILE A 38 8.500 -3.870 -4.928 1.00 0.00 C ATOM 0 H ILE A 38 4.485 -3.706 -2.435 1.00 0.00 H new ATOM 0 HA ILE A 38 6.743 -1.994 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 38 5.972 -2.685 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.455 -3.372 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.216 -4.507 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.929 -1.302 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.696 -0.352 -4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.166 -0.883 -3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.193 -4.696 -4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.799 -4.132 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.057 -2.979 -5.217 1.00 0.00 H new ATOM 608 N GLY A 39 5.255 -0.010 -2.082 1.00 0.00 N ATOM 609 CA GLY A 39 4.335 1.074 -2.170 1.00 0.00 C ATOM 610 C GLY A 39 4.958 2.235 -2.867 1.00 0.00 C ATOM 611 O GLY A 39 6.186 2.415 -2.805 1.00 0.00 O ATOM 0 H GLY A 39 6.171 0.236 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.441 0.757 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.017 1.371 -1.170 1.00 0.00 H new ATOM 615 N LEU A 40 4.155 2.997 -3.550 1.00 0.00 N ATOM 616 CA LEU A 40 4.634 4.163 -4.241 1.00 0.00 C ATOM 617 C LEU A 40 4.360 5.371 -3.386 1.00 0.00 C ATOM 618 O LEU A 40 3.226 5.590 -2.949 1.00 0.00 O ATOM 619 CB LEU A 40 3.955 4.311 -5.603 1.00 0.00 C ATOM 620 CG LEU A 40 4.401 5.501 -6.455 1.00 0.00 C ATOM 621 CD1 LEU A 40 5.855 5.355 -6.862 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.532 5.632 -7.673 1.00 0.00 C ATOM 0 H LEU A 40 3.153 2.831 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 40 5.705 4.064 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.128 3.398 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.880 4.388 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 40 4.299 6.405 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.151 6.212 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.480 5.307 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.980 4.441 -7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.864 6.484 -8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.603 4.723 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.497 5.785 -7.367 1.00 0.00 H new ATOM 634 N PHE A 41 5.374 6.114 -3.126 1.00 0.00 N ATOM 635 CA PHE A 41 5.288 7.270 -2.288 1.00 0.00 C ATOM 636 C PHE A 41 5.681 8.490 -3.067 1.00 0.00 C ATOM 637 O PHE A 41 6.178 8.388 -4.184 1.00 0.00 O ATOM 638 CB PHE A 41 6.251 7.131 -1.121 1.00 0.00 C ATOM 639 CG PHE A 41 6.016 5.950 -0.242 1.00 0.00 C ATOM 640 CD1 PHE A 41 5.145 6.033 0.817 1.00 0.00 C ATOM 641 CD2 PHE A 41 6.677 4.752 -0.475 1.00 0.00 C ATOM 642 CE1 PHE A 41 4.930 4.953 1.629 1.00 0.00 C ATOM 643 CE2 PHE A 41 6.466 3.668 0.337 1.00 0.00 C ATOM 644 CZ PHE A 41 5.592 3.769 1.391 1.00 0.00 C ATOM 0 H PHE A 41 6.309 5.938 -3.494 1.00 0.00 H new ATOM 0 HA PHE A 41 4.264 7.362 -1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.267 7.076 -1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.193 8.034 -0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.625 6.960 1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.364 4.673 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.241 5.029 2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.984 2.739 0.149 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.423 2.918 2.035 1.00 0.00 H new ATOM 654 N LYS A 42 5.489 9.622 -2.469 1.00 0.00 N ATOM 655 CA LYS A 42 5.891 10.874 -3.022 1.00 0.00 C ATOM 656 C LYS A 42 6.649 11.596 -1.943 1.00 0.00 C ATOM 657 O LYS A 42 6.124 11.776 -0.843 1.00 0.00 O ATOM 658 CB LYS A 42 4.667 11.709 -3.439 1.00 0.00 C ATOM 659 CG LYS A 42 5.011 13.067 -4.063 1.00 0.00 C ATOM 660 CD LYS A 42 3.757 13.904 -4.293 1.00 0.00 C ATOM 661 CE LYS A 42 4.076 15.275 -4.893 1.00 0.00 C ATOM 662 NZ LYS A 42 4.579 15.192 -6.286 1.00 0.00 N ATOM 0 H LYS A 42 5.036 9.702 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 42 6.502 10.719 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.076 11.134 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.039 11.873 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.696 13.607 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.528 12.914 -5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.081 13.367 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.233 14.037 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.178 15.893 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.820 15.773 -4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.323 16.059 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.614 15.089 -6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.154 14.370 -6.760 1.00 0.00 H new ATOM 676 N ASP A 43 7.873 11.944 -2.220 1.00 0.00 N ATOM 677 CA ASP A 43 8.673 12.692 -1.269 1.00 0.00 C ATOM 678 C ASP A 43 8.148 14.124 -1.246 1.00 0.00 C ATOM 679 O ASP A 43 7.970 14.720 -2.307 1.00 0.00 O ATOM 680 CB ASP A 43 10.153 12.651 -1.661 1.00 0.00 C ATOM 681 CG ASP A 43 11.043 13.456 -0.733 1.00 0.00 C ATOM 682 OD1 ASP A 43 11.163 14.682 -0.953 1.00 0.00 O ATOM 683 OD2 ASP A 43 11.664 12.875 0.177 1.00 0.00 O ATOM 0 H ASP A 43 8.347 11.725 -3.096 1.00 0.00 H new ATOM 0 HA ASP A 43 8.595 12.252 -0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.491 11.615 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.263 13.030 -2.677 1.00 0.00 H new ATOM 688 N PRO A 44 7.866 14.691 -0.064 1.00 0.00 N ATOM 689 CA PRO A 44 7.229 16.001 0.037 1.00 0.00 C ATOM 690 C PRO A 44 8.097 17.162 -0.428 1.00 0.00 C ATOM 691 O PRO A 44 7.584 18.162 -0.962 1.00 0.00 O ATOM 692 CB PRO A 44 6.918 16.158 1.527 1.00 0.00 C ATOM 693 CG PRO A 44 7.161 14.820 2.141 1.00 0.00 C ATOM 694 CD PRO A 44 8.144 14.117 1.261 1.00 0.00 C ATOM 0 HA PRO A 44 6.356 16.036 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.555 16.917 1.981 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.886 16.476 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.552 14.924 3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.233 14.253 2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.171 14.302 1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.997 13.037 1.273 1.00 0.00 H new ATOM 702 N GLU A 45 9.385 17.042 -0.258 1.00 0.00 N ATOM 703 CA GLU A 45 10.266 18.149 -0.553 1.00 0.00 C ATOM 704 C GLU A 45 10.920 18.076 -1.930 1.00 0.00 C ATOM 705 O GLU A 45 11.126 19.112 -2.575 1.00 0.00 O ATOM 706 CB GLU A 45 11.258 18.389 0.585 1.00 0.00 C ATOM 707 CG GLU A 45 12.023 17.162 1.040 1.00 0.00 C ATOM 708 CD GLU A 45 12.781 17.435 2.303 1.00 0.00 C ATOM 709 OE1 GLU A 45 12.139 17.552 3.374 1.00 0.00 O ATOM 710 OE2 GLU A 45 14.002 17.587 2.265 1.00 0.00 O ATOM 0 H GLU A 45 9.849 16.199 0.080 1.00 0.00 H new ATOM 0 HA GLU A 45 9.635 19.035 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.974 19.148 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.717 18.798 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.330 16.336 1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.715 16.850 0.257 1.00 0.00 H new ATOM 717 N THR A 46 11.239 16.897 -2.392 1.00 0.00 N ATOM 718 CA THR A 46 11.796 16.761 -3.719 1.00 0.00 C ATOM 719 C THR A 46 10.667 16.605 -4.738 1.00 0.00 C ATOM 720 O THR A 46 10.819 16.920 -5.920 1.00 0.00 O ATOM 721 CB THR A 46 12.792 15.584 -3.816 1.00 0.00 C ATOM 722 OG1 THR A 46 12.145 14.383 -3.417 1.00 0.00 O ATOM 723 CG2 THR A 46 14.005 15.823 -2.924 1.00 0.00 C ATOM 0 H THR A 46 11.126 16.023 -1.879 1.00 0.00 H new ATOM 0 HA THR A 46 12.360 17.667 -3.941 1.00 0.00 H new ATOM 0 HB THR A 46 13.130 15.502 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.780 13.638 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.691 14.981 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.511 16.737 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.681 15.923 -1.888 1.00 0.00 H new ATOM 731 N GLY A 47 9.531 16.106 -4.263 1.00 0.00 N ATOM 732 CA GLY A 47 8.344 15.992 -5.074 1.00 0.00 C ATOM 733 C GLY A 47 8.279 14.727 -5.895 1.00 0.00 C ATOM 734 O GLY A 47 7.243 14.438 -6.518 1.00 0.00 O ATOM 0 H GLY A 47 9.416 15.772 -3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.468 16.038 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.290 16.850 -5.744 1.00 0.00 H new ATOM 738 N LYS A 48 9.335 13.954 -5.866 1.00 0.00 N ATOM 739 CA LYS A 48 9.437 12.778 -6.705 1.00 0.00 C ATOM 740 C LYS A 48 8.723 11.575 -6.110 1.00 0.00 C ATOM 741 O LYS A 48 8.601 11.439 -4.887 1.00 0.00 O ATOM 742 CB LYS A 48 10.901 12.447 -7.012 1.00 0.00 C ATOM 743 CG LYS A 48 11.777 12.237 -5.780 1.00 0.00 C ATOM 744 CD LYS A 48 13.212 11.903 -6.160 1.00 0.00 C ATOM 745 CE LYS A 48 13.310 10.547 -6.841 1.00 0.00 C ATOM 746 NZ LYS A 48 14.672 10.258 -7.326 1.00 0.00 N ATOM 0 H LYS A 48 10.144 14.116 -5.267 1.00 0.00 H new ATOM 0 HA LYS A 48 8.932 13.015 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.935 11.546 -7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.325 13.254 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.763 13.138 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.364 11.431 -5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.602 12.674 -6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.836 11.908 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.004 9.769 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.614 10.513 -7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.687 9.323 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.957 10.984 -8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.334 10.263 -6.524 1.00 0.00 H new ATOM 760 N TYR A 49 8.258 10.716 -6.986 1.00 0.00 N ATOM 761 CA TYR A 49 7.567 9.508 -6.608 1.00 0.00 C ATOM 762 C TYR A 49 8.533 8.369 -6.569 1.00 0.00 C ATOM 763 O TYR A 49 9.239 8.110 -7.554 1.00 0.00 O ATOM 764 CB TYR A 49 6.450 9.177 -7.595 1.00 0.00 C ATOM 765 CG TYR A 49 5.303 10.133 -7.569 1.00 0.00 C ATOM 766 CD1 TYR A 49 5.322 11.295 -8.318 1.00 0.00 C ATOM 767 CD2 TYR A 49 4.195 9.872 -6.787 1.00 0.00 C ATOM 768 CE1 TYR A 49 4.268 12.171 -8.292 1.00 0.00 C ATOM 769 CE2 TYR A 49 3.137 10.739 -6.754 1.00 0.00 C ATOM 770 CZ TYR A 49 3.179 11.888 -7.507 1.00 0.00 C ATOM 771 OH TYR A 49 2.128 12.760 -7.471 1.00 0.00 O ATOM 0 H TYR A 49 8.351 10.839 -7.994 1.00 0.00 H new ATOM 0 HA TYR A 49 7.127 9.666 -5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.866 9.154 -8.602 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.078 8.175 -7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.181 11.516 -8.934 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.163 8.971 -6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.295 13.074 -8.883 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.275 10.522 -6.141 1.00 0.00 H new ATOM 0 HH TYR A 49 1.436 12.414 -6.869 1.00 0.00 H new ATOM 781 N PHE A 50 8.578 7.682 -5.478 1.00 0.00 N ATOM 782 CA PHE A 50 9.475 6.580 -5.363 1.00 0.00 C ATOM 783 C PHE A 50 8.734 5.375 -4.848 1.00 0.00 C ATOM 784 O PHE A 50 7.866 5.490 -3.987 1.00 0.00 O ATOM 785 CB PHE A 50 10.667 6.932 -4.436 1.00 0.00 C ATOM 786 CG PHE A 50 10.307 7.175 -2.978 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.688 8.355 -2.570 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.593 6.211 -2.021 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.365 8.560 -1.238 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.272 6.412 -0.697 1.00 0.00 C ATOM 791 CZ PHE A 50 9.661 7.584 -0.305 1.00 0.00 C ATOM 0 H PHE A 50 8.005 7.863 -4.653 1.00 0.00 H new ATOM 0 HA PHE A 50 9.880 6.351 -6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.394 6.122 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.158 7.824 -4.825 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.458 9.118 -3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.074 5.291 -2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.885 9.477 -0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.499 5.651 0.035 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.413 7.740 0.734 1.00 0.00 H new ATOM 801 N ARG A 51 9.034 4.243 -5.398 1.00 0.00 N ATOM 802 CA ARG A 51 8.492 3.015 -4.929 1.00 0.00 C ATOM 803 C ARG A 51 9.473 2.376 -3.986 1.00 0.00 C ATOM 804 O ARG A 51 10.663 2.244 -4.301 1.00 0.00 O ATOM 805 CB ARG A 51 8.112 2.090 -6.089 1.00 0.00 C ATOM 806 CG ARG A 51 9.144 1.992 -7.197 1.00 0.00 C ATOM 807 CD ARG A 51 8.713 1.013 -8.272 1.00 0.00 C ATOM 808 NE ARG A 51 8.848 -0.389 -7.852 1.00 0.00 N ATOM 809 CZ ARG A 51 8.264 -1.431 -8.459 1.00 0.00 C ATOM 810 NH1 ARG A 51 7.357 -1.233 -9.413 1.00 0.00 N ATOM 811 NH2 ARG A 51 8.576 -2.674 -8.093 1.00 0.00 N ATOM 0 H ARG A 51 9.667 4.147 -6.192 1.00 0.00 H new ATOM 0 HA ARG A 51 7.567 3.210 -4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.931 1.091 -5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.172 2.438 -6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.298 2.976 -7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.100 1.677 -6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.675 1.209 -8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.311 1.178 -9.168 1.00 0.00 H new ATOM 0 HE ARG A 51 9.430 -0.583 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.103 -0.284 -9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.916 -2.031 -9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.259 -2.831 -7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.132 -3.468 -8.554 1.00 0.00 H new ATOM 825 N HIS A 52 9.009 2.022 -2.841 1.00 0.00 N ATOM 826 CA HIS A 52 9.858 1.480 -1.819 1.00 0.00 C ATOM 827 C HIS A 52 9.186 0.271 -1.227 1.00 0.00 C ATOM 828 O HIS A 52 7.957 0.243 -1.126 1.00 0.00 O ATOM 829 CB HIS A 52 10.101 2.541 -0.728 1.00 0.00 C ATOM 830 CG HIS A 52 11.131 2.180 0.316 1.00 0.00 C ATOM 831 ND1 HIS A 52 10.857 1.418 1.426 1.00 0.00 N ATOM 832 CD2 HIS A 52 12.427 2.525 0.428 1.00 0.00 C ATOM 833 CE1 HIS A 52 11.926 1.323 2.170 1.00 0.00 C ATOM 834 NE2 HIS A 52 12.892 1.981 1.590 1.00 0.00 N ATOM 0 H HIS A 52 8.027 2.097 -2.577 1.00 0.00 H new ATOM 0 HA HIS A 52 10.820 1.193 -2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.409 3.469 -1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 52 9.155 2.742 -0.225 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.955 0.991 1.637 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.994 3.121 -0.272 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.998 0.790 3.107 1.00 0.00 H new ATOM 843 N LYS A 53 9.978 -0.723 -0.877 1.00 0.00 N ATOM 844 CA LYS A 53 9.472 -1.923 -0.239 1.00 0.00 C ATOM 845 C LYS A 53 8.795 -1.548 1.085 1.00 0.00 C ATOM 846 O LYS A 53 9.275 -0.672 1.818 1.00 0.00 O ATOM 847 CB LYS A 53 10.622 -2.909 0.062 1.00 0.00 C ATOM 848 CG LYS A 53 10.136 -4.203 0.705 1.00 0.00 C ATOM 849 CD LYS A 53 11.219 -4.925 1.486 1.00 0.00 C ATOM 850 CE LYS A 53 10.606 -6.079 2.276 1.00 0.00 C ATOM 851 NZ LYS A 53 11.556 -6.688 3.225 1.00 0.00 N ATOM 0 H LYS A 53 10.987 -0.722 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 53 8.760 -2.397 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.146 -3.143 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.343 -2.428 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.303 -3.979 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.753 -4.866 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.981 -5.303 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.715 -4.231 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.735 -5.717 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.253 -6.842 1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.030 -7.154 3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.140 -7.391 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.169 -5.949 3.625 1.00 0.00 H new ATOM 865 N LEU A 54 7.703 -2.160 1.364 1.00 0.00 N ATOM 866 CA LEU A 54 7.032 -1.966 2.612 1.00 0.00 C ATOM 867 C LEU A 54 7.471 -3.119 3.506 1.00 0.00 C ATOM 868 O LEU A 54 8.077 -4.072 3.014 1.00 0.00 O ATOM 869 CB LEU A 54 5.512 -2.024 2.427 1.00 0.00 C ATOM 870 CG LEU A 54 4.922 -1.196 1.290 1.00 0.00 C ATOM 871 CD1 LEU A 54 3.426 -1.409 1.207 1.00 0.00 C ATOM 872 CD2 LEU A 54 5.228 0.269 1.492 1.00 0.00 C ATOM 0 H LEU A 54 7.240 -2.815 0.734 1.00 0.00 H new ATOM 0 HA LEU A 54 7.277 -0.993 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.229 -3.065 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.045 -1.703 3.358 1.00 0.00 H new ATOM 0 HG LEU A 54 5.375 -1.521 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.018 -0.812 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.218 -2.463 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.963 -1.105 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.800 0.846 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.797 0.604 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.308 0.415 1.514 1.00 0.00 H new ATOM 884 N PRO A 55 7.191 -3.082 4.799 1.00 0.00 N ATOM 885 CA PRO A 55 7.551 -4.170 5.684 1.00 0.00 C ATOM 886 C PRO A 55 6.757 -5.419 5.314 1.00 0.00 C ATOM 887 O PRO A 55 5.581 -5.325 4.942 1.00 0.00 O ATOM 888 CB PRO A 55 7.157 -3.648 7.079 1.00 0.00 C ATOM 889 CG PRO A 55 7.012 -2.172 6.895 1.00 0.00 C ATOM 890 CD PRO A 55 6.497 -2.016 5.505 1.00 0.00 C ATOM 0 HA PRO A 55 8.603 -4.449 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.227 -4.099 7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.920 -3.883 7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.321 -1.747 7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.966 -1.661 7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.414 -2.133 5.456 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.731 -1.035 5.092 1.00 0.00 H new ATOM 898 N ASP A 56 7.406 -6.565 5.395 1.00 0.00 N ATOM 899 CA ASP A 56 6.818 -7.873 5.042 1.00 0.00 C ATOM 900 C ASP A 56 5.478 -8.074 5.725 1.00 0.00 C ATOM 901 O ASP A 56 4.515 -8.521 5.115 1.00 0.00 O ATOM 902 CB ASP A 56 7.740 -9.032 5.480 1.00 0.00 C ATOM 903 CG ASP A 56 9.090 -9.109 4.792 1.00 0.00 C ATOM 904 OD1 ASP A 56 9.903 -8.148 4.893 1.00 0.00 O ATOM 905 OD2 ASP A 56 9.408 -10.161 4.227 1.00 0.00 O ATOM 0 H ASP A 56 8.373 -6.630 5.712 1.00 0.00 H new ATOM 0 HA ASP A 56 6.693 -7.876 3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.907 -8.950 6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.214 -9.972 5.310 1.00 0.00 H new ATOM 910 N ASP A 57 5.425 -7.686 6.975 1.00 0.00 N ATOM 911 CA ASP A 57 4.265 -7.901 7.824 1.00 0.00 C ATOM 912 C ASP A 57 3.338 -6.687 7.886 1.00 0.00 C ATOM 913 O ASP A 57 2.464 -6.615 8.760 1.00 0.00 O ATOM 914 CB ASP A 57 4.719 -8.286 9.240 1.00 0.00 C ATOM 915 CG ASP A 57 5.377 -9.648 9.306 1.00 0.00 C ATOM 916 OD1 ASP A 57 6.578 -9.776 8.973 1.00 0.00 O ATOM 917 OD2 ASP A 57 4.711 -10.622 9.681 1.00 0.00 O ATOM 0 H ASP A 57 6.193 -7.205 7.444 1.00 0.00 H new ATOM 0 HA ASP A 57 3.692 -8.714 7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.417 -7.534 9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.857 -8.273 9.907 1.00 0.00 H new ATOM 922 N TYR A 58 3.498 -5.753 6.964 1.00 0.00 N ATOM 923 CA TYR A 58 2.654 -4.566 6.921 1.00 0.00 C ATOM 924 C TYR A 58 1.354 -4.898 6.184 1.00 0.00 C ATOM 925 O TYR A 58 1.390 -5.310 5.040 1.00 0.00 O ATOM 926 CB TYR A 58 3.414 -3.438 6.220 1.00 0.00 C ATOM 927 CG TYR A 58 2.698 -2.109 6.102 1.00 0.00 C ATOM 928 CD1 TYR A 58 2.517 -1.293 7.208 1.00 0.00 C ATOM 929 CD2 TYR A 58 2.224 -1.664 4.876 1.00 0.00 C ATOM 930 CE1 TYR A 58 1.879 -0.076 7.097 1.00 0.00 C ATOM 931 CE2 TYR A 58 1.585 -0.446 4.753 1.00 0.00 C ATOM 932 CZ TYR A 58 1.415 0.343 5.867 1.00 0.00 C ATOM 933 OH TYR A 58 0.769 1.547 5.755 1.00 0.00 O ATOM 0 H TYR A 58 4.207 -5.792 6.232 1.00 0.00 H new ATOM 0 HA TYR A 58 2.403 -4.240 7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.350 -3.274 6.754 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.674 -3.775 5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.882 -1.616 8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.357 -2.282 4.001 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.743 0.547 7.969 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.222 -0.116 3.791 1.00 0.00 H new ATOM 0 HH TYR A 58 1.120 2.170 6.425 1.00 0.00 H new ATOM 943 N PRO A 59 0.203 -4.739 6.834 1.00 0.00 N ATOM 944 CA PRO A 59 -1.074 -5.099 6.242 1.00 0.00 C ATOM 945 C PRO A 59 -1.528 -4.104 5.178 1.00 0.00 C ATOM 946 O PRO A 59 -1.791 -2.918 5.464 1.00 0.00 O ATOM 947 CB PRO A 59 -2.035 -5.125 7.423 1.00 0.00 C ATOM 948 CG PRO A 59 -1.439 -4.203 8.432 1.00 0.00 C ATOM 949 CD PRO A 59 0.048 -4.182 8.187 1.00 0.00 C ATOM 0 HA PRO A 59 -1.020 -6.053 5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.031 -4.795 7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.139 -6.133 7.824 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.860 -3.202 8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.658 -4.545 9.444 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.447 -3.169 8.248 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.581 -4.780 8.926 1.00 0.00 H new ATOM 957 N ILE A 60 -1.588 -4.570 3.962 1.00 0.00 N ATOM 958 CA ILE A 60 -2.011 -3.761 2.866 1.00 0.00 C ATOM 959 C ILE A 60 -3.371 -4.211 2.385 1.00 0.00 C ATOM 960 O ILE A 60 -4.360 -3.513 2.668 1.00 0.00 O ATOM 961 CB ILE A 60 -0.965 -3.683 1.708 1.00 0.00 C ATOM 962 CG1 ILE A 60 -0.563 -5.072 1.186 1.00 0.00 C ATOM 963 CG2 ILE A 60 0.259 -2.931 2.190 1.00 0.00 C ATOM 964 CD1 ILE A 60 0.319 -5.036 -0.052 1.00 0.00 C ATOM 965 OXT ILE A 60 -3.491 -5.315 1.818 1.00 0.00 O ATOM 0 H ILE A 60 -1.343 -5.527 3.708 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.094 -2.737 3.232 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.428 -3.154 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.039 -5.609 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.466 -5.639 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.992 -2.874 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.028 -1.924 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.695 -3.454 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.559 -6.054 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.209 -4.529 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.240 -4.498 0.173 1.00 0.00 H new TER 977 ILE A 60