USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 837 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 33 TYR OH : rot -70:sc= -0.212 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -0.68 K(o=-0.89,f=-4.4!) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.195 (180deg=-0.901) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0869 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -2.25 K(o=-2.2,f=-1.4) USER MOD Single : A 12 LYS NZ :NH3+ -110:sc= -0.0106 (180deg=-1.45!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -28:sc= -1.5 USER MOD Single : A 32 MET CE :methyl -168:sc= 0 (180deg=-0.0817) USER MOD Single : A 34 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.4!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -62:sc= 1.26 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.37 X(o=-3.4,f=-3.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.551 K(o=0.55,f=-2.9!) USER MOD Single : A 74 TYR OH : rot 76:sc= 1.21 USER MOD Single : A 76 GLN : amide:sc= -2.24! K(o=-2.2!,f=-0.85) USER MOD Single : A 78 THR OG1 : rot -85:sc= -0.742! USER MOD Single : B 99 SER OG : rot 15:sc= 0.965 USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 TYR OH : rot 0:sc= 0 USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.529 3.817 11.697 1.00 0.00 N ATOM 2 CA MET A 1 -17.115 4.134 10.369 1.00 0.00 C ATOM 3 C MET A 1 -16.025 4.402 9.335 1.00 0.00 C ATOM 4 O MET A 1 -14.843 4.480 9.672 1.00 0.00 O ATOM 5 CB MET A 1 -18.016 5.363 10.514 1.00 0.00 C ATOM 6 CG MET A 1 -19.392 5.042 11.074 1.00 0.00 C ATOM 7 SD MET A 1 -19.566 5.514 12.807 1.00 0.00 S ATOM 8 CE MET A 1 -19.346 7.288 12.697 1.00 0.00 C ATOM 0 H1 MET A 1 -16.628 2.799 11.886 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.521 4.074 11.702 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.027 4.356 12.434 1.00 0.00 H new ATOM 0 HA MET A 1 -17.696 3.280 10.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.527 6.087 11.165 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.130 5.837 9.539 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.149 5.558 10.483 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.581 3.973 10.972 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.901 7.774 13.499 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.287 7.530 12.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.715 7.641 11.734 1.00 0.00 H new ATOM 20 N ASP A 2 -16.430 4.544 8.078 1.00 0.00 N ATOM 21 CA ASP A 2 -15.487 4.803 6.996 1.00 0.00 C ATOM 22 C ASP A 2 -14.467 3.676 6.882 1.00 0.00 C ATOM 23 O ASP A 2 -13.320 3.901 6.499 1.00 0.00 O ATOM 24 CB ASP A 2 -14.771 6.134 7.228 1.00 0.00 C ATOM 25 CG ASP A 2 -14.526 6.892 5.936 1.00 0.00 C ATOM 26 OD1 ASP A 2 -13.829 6.349 5.054 1.00 0.00 O ATOM 27 OD2 ASP A 2 -15.031 8.026 5.808 1.00 0.00 O ATOM 0 H ASP A 2 -17.405 4.484 7.783 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.047 4.856 6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.366 6.751 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.818 5.949 7.724 1.00 0.00 H new ATOM 32 N ARG A 3 -14.892 2.463 7.218 1.00 0.00 N ATOM 33 CA ARG A 3 -14.014 1.300 7.156 1.00 0.00 C ATOM 34 C ARG A 3 -14.407 0.379 6.004 1.00 0.00 C ATOM 35 O ARG A 3 -13.557 -0.280 5.405 1.00 0.00 O ATOM 36 CB ARG A 3 -14.058 0.529 8.476 1.00 0.00 C ATOM 37 CG ARG A 3 -12.722 -0.082 8.870 1.00 0.00 C ATOM 38 CD ARG A 3 -12.877 -1.527 9.318 1.00 0.00 C ATOM 39 NE ARG A 3 -12.056 -1.828 10.488 1.00 0.00 N ATOM 40 CZ ARG A 3 -12.259 -2.875 11.285 1.00 0.00 C ATOM 41 NH1 ARG A 3 -13.251 -3.722 11.042 1.00 0.00 N ATOM 42 NH2 ARG A 3 -11.465 -3.077 12.329 1.00 0.00 N ATOM 0 H ARG A 3 -15.839 2.259 7.536 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.998 1.655 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.389 1.201 9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.802 -0.264 8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.036 -0.034 8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.277 0.503 9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.924 -1.725 9.549 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.600 -2.192 8.500 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.283 -1.200 10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.864 -3.573 10.240 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.401 -4.522 11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.700 -2.430 12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.620 -3.879 12.940 1.00 0.00 H new ATOM 56 N LYS A 4 -15.700 0.338 5.699 1.00 0.00 N ATOM 57 CA LYS A 4 -16.205 -0.503 4.620 1.00 0.00 C ATOM 58 C LYS A 4 -15.575 -0.116 3.287 1.00 0.00 C ATOM 59 O LYS A 4 -15.232 -0.977 2.476 1.00 0.00 O ATOM 60 CB LYS A 4 -17.728 -0.393 4.527 1.00 0.00 C ATOM 61 CG LYS A 4 -18.354 -1.406 3.582 1.00 0.00 C ATOM 62 CD LYS A 4 -18.147 -2.831 4.072 1.00 0.00 C ATOM 63 CE LYS A 4 -17.171 -3.589 3.188 1.00 0.00 C ATOM 64 NZ LYS A 4 -16.635 -4.803 3.863 1.00 0.00 N ATOM 0 H LYS A 4 -16.417 0.877 6.184 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.935 -1.535 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.155 -0.524 5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.992 0.612 4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.421 -1.205 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.919 -1.295 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.774 -2.814 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.104 -3.353 4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.669 -3.879 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.345 -2.932 2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.973 -5.291 3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.137 -4.525 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.420 -5.442 4.102 1.00 0.00 H new ATOM 78 N VAL A 5 -15.424 1.185 3.068 1.00 0.00 N ATOM 79 CA VAL A 5 -14.835 1.688 1.836 1.00 0.00 C ATOM 80 C VAL A 5 -13.410 1.176 1.663 1.00 0.00 C ATOM 81 O VAL A 5 -12.965 0.917 0.545 1.00 0.00 O ATOM 82 CB VAL A 5 -14.819 3.230 1.807 1.00 0.00 C ATOM 83 CG1 VAL A 5 -14.308 3.737 0.467 1.00 0.00 C ATOM 84 CG2 VAL A 5 -16.205 3.784 2.100 1.00 0.00 C ATOM 0 H VAL A 5 -15.702 1.910 3.729 1.00 0.00 H new ATOM 0 HA VAL A 5 -15.455 1.323 1.017 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.140 3.581 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -14.305 4.827 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.295 3.371 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -14.958 3.377 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -16.174 4.873 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -16.907 3.424 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.528 3.453 3.087 1.00 0.00 H new ATOM 94 N ALA A 6 -12.700 1.039 2.776 1.00 0.00 N ATOM 95 CA ALA A 6 -11.325 0.563 2.747 1.00 0.00 C ATOM 96 C ALA A 6 -11.260 -0.904 2.357 1.00 0.00 C ATOM 97 O ALA A 6 -10.519 -1.284 1.454 1.00 0.00 O ATOM 98 CB ALA A 6 -10.663 0.783 4.096 1.00 0.00 C ATOM 0 H ALA A 6 -13.054 1.251 3.709 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.785 1.135 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.635 0.422 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.666 1.847 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.212 0.238 4.864 1.00 0.00 H new ATOM 104 N ARG A 7 -12.045 -1.722 3.038 1.00 0.00 N ATOM 105 CA ARG A 7 -12.082 -3.148 2.752 1.00 0.00 C ATOM 106 C ARG A 7 -12.649 -3.391 1.361 1.00 0.00 C ATOM 107 O ARG A 7 -12.338 -4.392 0.718 1.00 0.00 O ATOM 108 CB ARG A 7 -12.916 -3.884 3.803 1.00 0.00 C ATOM 109 CG ARG A 7 -12.284 -5.182 4.281 1.00 0.00 C ATOM 110 CD ARG A 7 -11.761 -5.066 5.707 1.00 0.00 C ATOM 111 NE ARG A 7 -12.644 -5.723 6.670 1.00 0.00 N ATOM 112 CZ ARG A 7 -13.589 -5.094 7.371 1.00 0.00 C ATOM 113 NH1 ARG A 7 -13.783 -3.789 7.226 1.00 0.00 N ATOM 114 NH2 ARG A 7 -14.342 -5.777 8.220 1.00 0.00 N ATOM 0 H ARG A 7 -12.665 -1.425 3.792 1.00 0.00 H new ATOM 0 HA ARG A 7 -11.064 -3.535 2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -13.069 -3.227 4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -13.900 -4.100 3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.019 -5.985 4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.465 -5.454 3.615 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.767 -5.509 5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.657 -4.013 5.970 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.530 -6.726 6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -13.207 -3.257 6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -14.508 -3.318 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -14.198 -6.780 8.336 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -15.066 -5.300 8.758 1.00 0.00 H new ATOM 128 N GLU A 8 -13.481 -2.462 0.896 1.00 0.00 N ATOM 129 CA GLU A 8 -14.079 -2.581 -0.424 1.00 0.00 C ATOM 130 C GLU A 8 -13.036 -2.354 -1.505 1.00 0.00 C ATOM 131 O GLU A 8 -12.907 -3.153 -2.435 1.00 0.00 O ATOM 132 CB GLU A 8 -15.233 -1.589 -0.585 1.00 0.00 C ATOM 133 CG GLU A 8 -16.240 -1.995 -1.648 1.00 0.00 C ATOM 134 CD GLU A 8 -17.469 -1.108 -1.656 1.00 0.00 C ATOM 135 OE1 GLU A 8 -17.961 -0.764 -0.562 1.00 0.00 O ATOM 136 OE2 GLU A 8 -17.939 -0.756 -2.760 1.00 0.00 O ATOM 0 H GLU A 8 -13.753 -1.625 1.412 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.474 -3.592 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.748 -1.485 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.827 -0.609 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.763 -1.958 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.543 -3.028 -1.480 1.00 0.00 H new ATOM 143 N PHE A 9 -12.273 -1.277 -1.372 1.00 0.00 N ATOM 144 CA PHE A 9 -11.231 -0.985 -2.341 1.00 0.00 C ATOM 145 C PHE A 9 -10.112 -2.008 -2.188 1.00 0.00 C ATOM 146 O PHE A 9 -9.601 -2.540 -3.173 1.00 0.00 O ATOM 147 CB PHE A 9 -10.722 0.458 -2.177 1.00 0.00 C ATOM 148 CG PHE A 9 -9.425 0.599 -1.429 1.00 0.00 C ATOM 149 CD1 PHE A 9 -8.240 0.112 -1.959 1.00 0.00 C ATOM 150 CD2 PHE A 9 -9.394 1.229 -0.198 1.00 0.00 C ATOM 151 CE1 PHE A 9 -7.051 0.249 -1.273 1.00 0.00 C ATOM 152 CE2 PHE A 9 -8.209 1.370 0.491 1.00 0.00 C ATOM 153 CZ PHE A 9 -7.036 0.880 -0.046 1.00 0.00 C ATOM 0 H PHE A 9 -12.355 -0.601 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 9 -11.633 -1.061 -3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.602 0.898 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.486 1.039 -1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.248 -0.380 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.309 1.615 0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.135 -0.136 -1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.198 1.864 1.451 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.107 0.990 0.494 1.00 0.00 H new ATOM 163 N ARG A 10 -9.761 -2.299 -0.938 1.00 0.00 N ATOM 164 CA ARG A 10 -8.730 -3.282 -0.641 1.00 0.00 C ATOM 165 C ARG A 10 -9.099 -4.621 -1.271 1.00 0.00 C ATOM 166 O ARG A 10 -8.261 -5.284 -1.884 1.00 0.00 O ATOM 167 CB ARG A 10 -8.565 -3.438 0.873 1.00 0.00 C ATOM 168 CG ARG A 10 -7.587 -4.533 1.274 1.00 0.00 C ATOM 169 CD ARG A 10 -8.209 -5.500 2.270 1.00 0.00 C ATOM 170 NE ARG A 10 -7.561 -6.808 2.243 1.00 0.00 N ATOM 171 CZ ARG A 10 -7.780 -7.728 1.305 1.00 0.00 C ATOM 172 NH1 ARG A 10 -8.617 -7.477 0.307 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.161 -8.898 1.365 1.00 0.00 N ATOM 0 H ARG A 10 -10.178 -1.865 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.783 -2.940 -1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.227 -2.490 1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.538 -3.653 1.315 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.267 -5.079 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.695 -4.083 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.138 -5.081 3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.270 -5.617 2.048 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.900 -7.031 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.095 -6.577 0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.783 -8.184 -0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.516 -9.095 2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.330 -9.602 0.646 1.00 0.00 H new ATOM 187 N HIS A 11 -10.370 -5.005 -1.131 1.00 0.00 N ATOM 188 CA HIS A 11 -10.848 -6.257 -1.708 1.00 0.00 C ATOM 189 C HIS A 11 -10.625 -6.254 -3.213 1.00 0.00 C ATOM 190 O HIS A 11 -10.182 -7.246 -3.794 1.00 0.00 O ATOM 191 CB HIS A 11 -12.331 -6.457 -1.396 1.00 0.00 C ATOM 192 CG HIS A 11 -12.579 -7.047 -0.044 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.721 -7.749 0.276 1.00 0.00 N ATOM 194 CD2 HIS A 11 -11.818 -7.039 1.074 1.00 0.00 C ATOM 195 CE1 HIS A 11 -13.654 -8.145 1.535 1.00 0.00 C ATOM 196 NE2 HIS A 11 -12.507 -7.729 2.041 1.00 0.00 N ATOM 0 H HIS A 11 -11.078 -4.471 -0.628 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.287 -7.081 -1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.842 -5.497 -1.464 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.770 -7.106 -2.154 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.849 -6.576 1.186 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.408 -8.712 2.060 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -12.185 -7.894 2.995 1.00 0.00 H new ATOM 205 N LYS A 12 -10.921 -5.119 -3.834 1.00 0.00 N ATOM 206 CA LYS A 12 -10.743 -4.964 -5.271 1.00 0.00 C ATOM 207 C LYS A 12 -9.280 -5.171 -5.648 1.00 0.00 C ATOM 208 O LYS A 12 -8.970 -5.720 -6.706 1.00 0.00 O ATOM 209 CB LYS A 12 -11.209 -3.579 -5.721 1.00 0.00 C ATOM 210 CG LYS A 12 -12.720 -3.429 -5.760 1.00 0.00 C ATOM 211 CD LYS A 12 -13.146 -2.004 -5.439 1.00 0.00 C ATOM 212 CE LYS A 12 -14.518 -1.692 -6.013 1.00 0.00 C ATOM 213 NZ LYS A 12 -15.313 -0.820 -5.106 1.00 0.00 N ATOM 0 H LYS A 12 -11.286 -4.291 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.347 -5.717 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.795 -2.829 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.806 -3.374 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.089 -3.707 -6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.174 -4.116 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.161 -1.862 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.414 -1.304 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.404 -1.202 -6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.058 -2.622 -6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.097 -1.368 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.703 -0.465 -4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.696 -0.017 -5.644 1.00 0.00 H new ATOM 227 N VAL A 13 -8.383 -4.732 -4.768 1.00 0.00 N ATOM 228 CA VAL A 13 -6.951 -4.875 -4.999 1.00 0.00 C ATOM 229 C VAL A 13 -6.566 -6.347 -5.087 1.00 0.00 C ATOM 230 O VAL A 13 -5.878 -6.767 -6.019 1.00 0.00 O ATOM 231 CB VAL A 13 -6.130 -4.200 -3.884 1.00 0.00 C ATOM 232 CG1 VAL A 13 -4.640 -4.272 -4.194 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.573 -2.756 -3.694 1.00 0.00 C ATOM 0 H VAL A 13 -8.624 -4.275 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.725 -4.382 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.309 -4.737 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.078 -3.790 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.335 -5.315 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.439 -3.763 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.982 -2.295 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.427 -2.205 -4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.628 -2.732 -3.420 1.00 0.00 H new ATOM 243 N ASP A 14 -7.024 -7.132 -4.114 1.00 0.00 N ATOM 244 CA ASP A 14 -6.732 -8.559 -4.093 1.00 0.00 C ATOM 245 C ASP A 14 -7.225 -9.216 -5.377 1.00 0.00 C ATOM 246 O ASP A 14 -6.575 -10.107 -5.922 1.00 0.00 O ATOM 247 CB ASP A 14 -7.387 -9.221 -2.880 1.00 0.00 C ATOM 248 CG ASP A 14 -6.956 -10.665 -2.705 1.00 0.00 C ATOM 249 OD1 ASP A 14 -7.005 -11.423 -3.696 1.00 0.00 O ATOM 250 OD2 ASP A 14 -6.570 -11.036 -1.577 1.00 0.00 O ATOM 0 H ASP A 14 -7.595 -6.804 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.652 -8.690 -4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.134 -8.658 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.471 -9.179 -2.988 1.00 0.00 H new ATOM 255 N PHE A 15 -8.374 -8.756 -5.856 1.00 0.00 N ATOM 256 CA PHE A 15 -8.957 -9.281 -7.084 1.00 0.00 C ATOM 257 C PHE A 15 -8.111 -8.878 -8.292 1.00 0.00 C ATOM 258 O PHE A 15 -8.059 -9.597 -9.291 1.00 0.00 O ATOM 259 CB PHE A 15 -10.392 -8.769 -7.248 1.00 0.00 C ATOM 260 CG PHE A 15 -11.010 -9.108 -8.575 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.000 -10.411 -9.049 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.601 -8.122 -9.350 1.00 0.00 C ATOM 263 CE1 PHE A 15 -11.567 -10.723 -10.270 1.00 0.00 C ATOM 264 CE2 PHE A 15 -12.170 -8.428 -10.571 1.00 0.00 C ATOM 265 CZ PHE A 15 -12.153 -9.731 -11.032 1.00 0.00 C ATOM 0 H PHE A 15 -8.921 -8.019 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.976 -10.369 -7.022 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -11.010 -9.187 -6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -10.398 -7.686 -7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.544 -11.191 -8.457 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.617 -7.102 -8.995 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.552 -11.742 -10.628 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.627 -7.650 -11.165 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.597 -9.973 -11.986 1.00 0.00 H new ATOM 275 N LEU A 16 -7.456 -7.725 -8.192 1.00 0.00 N ATOM 276 CA LEU A 16 -6.617 -7.226 -9.275 1.00 0.00 C ATOM 277 C LEU A 16 -5.130 -7.388 -8.956 1.00 0.00 C ATOM 278 O LEU A 16 -4.277 -6.861 -9.670 1.00 0.00 O ATOM 279 CB LEU A 16 -6.930 -5.754 -9.549 1.00 0.00 C ATOM 280 CG LEU A 16 -8.419 -5.411 -9.629 1.00 0.00 C ATOM 281 CD1 LEU A 16 -8.651 -3.955 -9.257 1.00 0.00 C ATOM 282 CD2 LEU A 16 -8.957 -5.702 -11.022 1.00 0.00 C ATOM 0 H LEU A 16 -7.491 -7.119 -7.372 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.838 -7.818 -10.163 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.476 -5.150 -8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.456 -5.466 -10.487 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.957 -6.036 -8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.715 -3.729 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.302 -3.779 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.102 -3.312 -9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.017 -5.453 -11.062 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.415 -5.103 -11.754 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.824 -6.760 -11.250 1.00 0.00 H new ATOM 294 N ILE A 17 -4.822 -8.122 -7.888 1.00 0.00 N ATOM 295 CA ILE A 17 -3.455 -8.351 -7.491 1.00 0.00 C ATOM 296 C ILE A 17 -3.311 -9.741 -6.881 1.00 0.00 C ATOM 297 O ILE A 17 -3.066 -9.900 -5.685 1.00 0.00 O ATOM 298 CB ILE A 17 -2.973 -7.305 -6.484 1.00 0.00 C ATOM 299 CG1 ILE A 17 -2.919 -5.920 -7.132 1.00 0.00 C ATOM 300 CG2 ILE A 17 -1.613 -7.710 -5.967 1.00 0.00 C ATOM 301 CD1 ILE A 17 -1.941 -5.830 -8.283 1.00 0.00 C ATOM 0 H ILE A 17 -5.514 -8.567 -7.285 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.839 -8.272 -8.387 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.673 -7.252 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.914 -5.656 -7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.646 -5.184 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.262 -6.970 -5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.684 -8.683 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.911 -7.770 -6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.955 -4.821 -8.694 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.937 -6.063 -7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.225 -6.542 -9.058 1.00 0.00 H new ATOM 313 N GLU A 18 -3.474 -10.734 -7.723 1.00 0.00 N ATOM 314 CA GLU A 18 -3.371 -12.129 -7.310 1.00 0.00 C ATOM 315 C GLU A 18 -1.913 -12.557 -7.188 1.00 0.00 C ATOM 316 O GLU A 18 -1.585 -13.473 -6.433 1.00 0.00 O ATOM 317 CB GLU A 18 -4.095 -13.029 -8.312 1.00 0.00 C ATOM 318 CG GLU A 18 -3.535 -12.944 -9.722 1.00 0.00 C ATOM 319 CD GLU A 18 -4.257 -13.858 -10.692 1.00 0.00 C ATOM 320 OE1 GLU A 18 -5.451 -13.613 -10.960 1.00 0.00 O ATOM 321 OE2 GLU A 18 -3.628 -14.817 -11.185 1.00 0.00 O ATOM 0 H GLU A 18 -3.682 -10.607 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.841 -12.228 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.036 -14.062 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.151 -12.760 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.606 -11.916 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.476 -13.202 -9.705 1.00 0.00 H new ATOM 328 N ASN A 19 -1.042 -11.889 -7.938 1.00 0.00 N ATOM 329 CA ASN A 19 0.388 -12.195 -7.922 1.00 0.00 C ATOM 330 C ASN A 19 0.929 -12.275 -6.495 1.00 0.00 C ATOM 331 O ASN A 19 1.935 -12.938 -6.243 1.00 0.00 O ATOM 332 CB ASN A 19 1.162 -11.142 -8.718 1.00 0.00 C ATOM 333 CG ASN A 19 2.046 -11.758 -9.783 1.00 0.00 C ATOM 334 OD1 ASN A 19 1.720 -11.733 -10.969 1.00 0.00 O ATOM 335 ND2 ASN A 19 3.178 -12.316 -9.363 1.00 0.00 N ATOM 0 H ASN A 19 -1.301 -11.129 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 19 0.524 -13.171 -8.387 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.458 -10.455 -9.187 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.776 -10.553 -8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.815 -12.745 -10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.409 -12.314 -8.370 1.00 0.00 H new ATOM 342 N ASP A 20 0.260 -11.589 -5.566 1.00 0.00 N ATOM 343 CA ASP A 20 0.668 -11.574 -4.160 1.00 0.00 C ATOM 344 C ASP A 20 1.773 -10.547 -3.919 1.00 0.00 C ATOM 345 O ASP A 20 1.653 -9.692 -3.042 1.00 0.00 O ATOM 346 CB ASP A 20 1.135 -12.961 -3.706 1.00 0.00 C ATOM 347 CG ASP A 20 0.907 -13.192 -2.224 1.00 0.00 C ATOM 348 OD1 ASP A 20 1.089 -12.238 -1.440 1.00 0.00 O ATOM 349 OD2 ASP A 20 0.546 -14.328 -1.850 1.00 0.00 O ATOM 0 H ASP A 20 -0.572 -11.033 -5.764 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.204 -11.291 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.605 -13.724 -4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.196 -13.075 -3.930 1.00 0.00 H new ATOM 354 N ALA A 21 2.846 -10.633 -4.699 1.00 0.00 N ATOM 355 CA ALA A 21 3.962 -9.704 -4.562 1.00 0.00 C ATOM 356 C ALA A 21 3.485 -8.267 -4.662 1.00 0.00 C ATOM 357 O ALA A 21 3.791 -7.439 -3.804 1.00 0.00 O ATOM 358 CB ALA A 21 5.021 -9.986 -5.613 1.00 0.00 C ATOM 0 H ALA A 21 2.966 -11.334 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 21 4.404 -9.848 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.846 -9.283 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.391 -11.004 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.587 -9.873 -6.606 1.00 0.00 H new ATOM 364 N GLU A 22 2.712 -7.980 -5.700 1.00 0.00 N ATOM 365 CA GLU A 22 2.167 -6.643 -5.887 1.00 0.00 C ATOM 366 C GLU A 22 1.493 -6.196 -4.599 1.00 0.00 C ATOM 367 O GLU A 22 1.532 -5.021 -4.231 1.00 0.00 O ATOM 368 CB GLU A 22 1.171 -6.624 -7.047 1.00 0.00 C ATOM 369 CG GLU A 22 1.822 -6.412 -8.404 1.00 0.00 C ATOM 370 CD GLU A 22 0.890 -6.734 -9.554 1.00 0.00 C ATOM 371 OE1 GLU A 22 0.237 -7.798 -9.510 1.00 0.00 O ATOM 372 OE2 GLU A 22 0.815 -5.924 -10.502 1.00 0.00 O ATOM 0 H GLU A 22 2.449 -8.651 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 22 2.977 -5.955 -6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.623 -7.566 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.441 -5.833 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.151 -5.376 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.713 -7.036 -8.477 1.00 0.00 H new ATOM 379 N LYS A 23 0.893 -7.161 -3.909 1.00 0.00 N ATOM 380 CA LYS A 23 0.223 -6.899 -2.646 1.00 0.00 C ATOM 381 C LYS A 23 1.251 -6.555 -1.573 1.00 0.00 C ATOM 382 O LYS A 23 1.004 -5.713 -0.709 1.00 0.00 O ATOM 383 CB LYS A 23 -0.605 -8.114 -2.218 1.00 0.00 C ATOM 384 CG LYS A 23 -2.101 -7.847 -2.176 1.00 0.00 C ATOM 385 CD LYS A 23 -2.855 -9.009 -1.547 1.00 0.00 C ATOM 386 CE LYS A 23 -3.672 -9.771 -2.578 1.00 0.00 C ATOM 387 NZ LYS A 23 -3.426 -11.238 -2.506 1.00 0.00 N ATOM 0 H LYS A 23 0.859 -8.136 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.450 -6.051 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.410 -8.936 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.275 -8.439 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.294 -6.937 -1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.470 -7.677 -3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.147 -9.687 -1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.515 -8.634 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.732 -9.572 -2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.425 -9.410 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.001 -11.722 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.419 -11.430 -2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.686 -11.588 -1.562 1.00 0.00 H new ATOM 401 N ASP A 24 2.414 -7.204 -1.640 1.00 0.00 N ATOM 402 CA ASP A 24 3.477 -6.951 -0.677 1.00 0.00 C ATOM 403 C ASP A 24 3.940 -5.501 -0.773 1.00 0.00 C ATOM 404 O ASP A 24 4.069 -4.807 0.238 1.00 0.00 O ATOM 405 CB ASP A 24 4.656 -7.898 -0.917 1.00 0.00 C ATOM 406 CG ASP A 24 4.691 -9.041 0.079 1.00 0.00 C ATOM 407 OD1 ASP A 24 4.399 -8.798 1.269 1.00 0.00 O ATOM 408 OD2 ASP A 24 5.009 -10.177 -0.331 1.00 0.00 O ATOM 0 H ASP A 24 2.640 -7.903 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 24 3.086 -7.131 0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.594 -8.302 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.588 -7.336 -0.855 1.00 0.00 H new ATOM 413 N TYR A 25 4.177 -5.045 -2.000 1.00 0.00 N ATOM 414 CA TYR A 25 4.611 -3.674 -2.232 1.00 0.00 C ATOM 415 C TYR A 25 3.554 -2.694 -1.740 1.00 0.00 C ATOM 416 O TYR A 25 3.876 -1.655 -1.161 1.00 0.00 O ATOM 417 CB TYR A 25 4.885 -3.445 -3.719 1.00 0.00 C ATOM 418 CG TYR A 25 5.941 -2.396 -3.988 1.00 0.00 C ATOM 419 CD1 TYR A 25 7.228 -2.533 -3.484 1.00 0.00 C ATOM 420 CD2 TYR A 25 5.649 -1.268 -4.745 1.00 0.00 C ATOM 421 CE1 TYR A 25 8.194 -1.576 -3.727 1.00 0.00 C ATOM 422 CE2 TYR A 25 6.610 -0.306 -4.992 1.00 0.00 C ATOM 423 CZ TYR A 25 7.881 -0.465 -4.481 1.00 0.00 C ATOM 424 OH TYR A 25 8.842 0.489 -4.725 1.00 0.00 O ATOM 0 H TYR A 25 4.076 -5.605 -2.846 1.00 0.00 H new ATOM 0 HA TYR A 25 5.533 -3.506 -1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.197 -4.386 -4.171 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.958 -3.148 -4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.477 -3.402 -2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.655 -1.141 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.190 -1.698 -3.328 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.367 0.565 -5.582 1.00 0.00 H new ATOM 0 HH TYR A 25 8.459 1.206 -5.272 1.00 0.00 H new ATOM 434 N LEU A 26 2.289 -3.037 -1.966 1.00 0.00 N ATOM 435 CA LEU A 26 1.180 -2.192 -1.538 1.00 0.00 C ATOM 436 C LEU A 26 1.200 -2.011 -0.024 1.00 0.00 C ATOM 437 O LEU A 26 0.962 -0.916 0.483 1.00 0.00 O ATOM 438 CB LEU A 26 -0.154 -2.801 -1.977 1.00 0.00 C ATOM 439 CG LEU A 26 -0.747 -2.206 -3.257 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.482 -3.119 -4.444 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.240 -1.963 -3.092 1.00 0.00 C ATOM 0 H LEU A 26 2.007 -3.894 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 26 1.292 -1.215 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.017 -3.873 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.875 -2.679 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.262 -1.248 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.911 -2.679 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.593 -3.241 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.938 -4.092 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.644 -1.540 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.741 -2.907 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.407 -1.268 -2.269 1.00 0.00 H new ATOM 453 N TYR A 27 1.492 -3.094 0.690 1.00 0.00 N ATOM 454 CA TYR A 27 1.552 -3.053 2.147 1.00 0.00 C ATOM 455 C TYR A 27 2.624 -2.074 2.607 1.00 0.00 C ATOM 456 O TYR A 27 2.394 -1.250 3.491 1.00 0.00 O ATOM 457 CB TYR A 27 1.842 -4.445 2.713 1.00 0.00 C ATOM 458 CG TYR A 27 0.907 -5.523 2.210 1.00 0.00 C ATOM 459 CD1 TYR A 27 -0.410 -5.231 1.872 1.00 0.00 C ATOM 460 CD2 TYR A 27 1.342 -6.835 2.075 1.00 0.00 C ATOM 461 CE1 TYR A 27 -1.264 -6.216 1.417 1.00 0.00 C ATOM 462 CE2 TYR A 27 0.494 -7.825 1.619 1.00 0.00 C ATOM 463 CZ TYR A 27 -0.807 -7.512 1.291 1.00 0.00 C ATOM 464 OH TYR A 27 -1.656 -8.496 0.839 1.00 0.00 O ATOM 0 H TYR A 27 1.690 -4.009 0.284 1.00 0.00 H new ATOM 0 HA TYR A 27 0.584 -2.718 2.518 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.866 -4.721 2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.780 -4.404 3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.771 -4.217 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.361 -7.085 2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.285 -5.973 1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.849 -8.840 1.520 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.579 -8.264 1.073 1.00 0.00 H new ATOM 474 N ASP A 28 3.797 -2.175 1.995 1.00 0.00 N ATOM 475 CA ASP A 28 4.912 -1.299 2.334 1.00 0.00 C ATOM 476 C ASP A 28 4.557 0.159 2.060 1.00 0.00 C ATOM 477 O ASP A 28 4.948 1.054 2.809 1.00 0.00 O ATOM 478 CB ASP A 28 6.158 -1.696 1.539 1.00 0.00 C ATOM 479 CG ASP A 28 7.400 -1.765 2.406 1.00 0.00 C ATOM 480 OD1 ASP A 28 8.052 -0.717 2.596 1.00 0.00 O ATOM 481 OD2 ASP A 28 7.721 -2.869 2.895 1.00 0.00 O ATOM 0 H ASP A 28 4.001 -2.854 1.262 1.00 0.00 H new ATOM 0 HA ASP A 28 5.121 -1.408 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.992 -2.665 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.318 -0.976 0.736 1.00 0.00 H new ATOM 486 N VAL A 29 3.811 0.391 0.984 1.00 0.00 N ATOM 487 CA VAL A 29 3.401 1.741 0.616 1.00 0.00 C ATOM 488 C VAL A 29 2.507 2.348 1.689 1.00 0.00 C ATOM 489 O VAL A 29 2.681 3.504 2.076 1.00 0.00 O ATOM 490 CB VAL A 29 2.653 1.759 -0.731 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.404 3.190 -1.186 1.00 0.00 C ATOM 492 CG2 VAL A 29 3.429 0.981 -1.786 1.00 0.00 C ATOM 0 H VAL A 29 3.479 -0.338 0.353 1.00 0.00 H new ATOM 0 HA VAL A 29 4.311 2.334 0.521 1.00 0.00 H new ATOM 0 HB VAL A 29 1.687 1.273 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.875 3.182 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.801 3.709 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.357 3.705 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.884 1.005 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.411 1.433 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.547 -0.053 -1.462 1.00 0.00 H new ATOM 502 N LEU A 30 1.556 1.558 2.169 1.00 0.00 N ATOM 503 CA LEU A 30 0.637 2.013 3.205 1.00 0.00 C ATOM 504 C LEU A 30 1.389 2.295 4.499 1.00 0.00 C ATOM 505 O LEU A 30 1.191 3.333 5.132 1.00 0.00 O ATOM 506 CB LEU A 30 -0.450 0.963 3.450 1.00 0.00 C ATOM 507 CG LEU A 30 -1.439 0.776 2.299 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.903 -0.670 2.224 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.627 1.712 2.462 1.00 0.00 C ATOM 0 H LEU A 30 1.400 0.599 1.858 1.00 0.00 H new ATOM 0 HA LEU A 30 0.167 2.936 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.030 0.006 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.006 1.240 4.346 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.933 1.022 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.606 -0.784 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.043 -1.320 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.392 -0.944 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.321 1.566 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.133 1.497 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.279 2.745 2.466 1.00 0.00 H new ATOM 521 N ARG A 31 2.261 1.368 4.884 1.00 0.00 N ATOM 522 CA ARG A 31 3.050 1.520 6.097 1.00 0.00 C ATOM 523 C ARG A 31 3.943 2.751 6.000 1.00 0.00 C ATOM 524 O ARG A 31 4.221 3.412 7.001 1.00 0.00 O ATOM 525 CB ARG A 31 3.899 0.270 6.341 1.00 0.00 C ATOM 526 CG ARG A 31 3.845 -0.235 7.772 1.00 0.00 C ATOM 527 CD ARG A 31 3.966 -1.748 7.834 1.00 0.00 C ATOM 528 NE ARG A 31 4.675 -2.193 9.032 1.00 0.00 N ATOM 529 CZ ARG A 31 5.999 -2.150 9.166 1.00 0.00 C ATOM 530 NH1 ARG A 31 6.759 -1.684 8.184 1.00 0.00 N ATOM 531 NH2 ARG A 31 6.563 -2.576 10.289 1.00 0.00 N ATOM 0 H ARG A 31 2.438 0.504 4.372 1.00 0.00 H new ATOM 0 HA ARG A 31 2.368 1.649 6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.563 -0.523 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.935 0.489 6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.650 0.219 8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.907 0.075 8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.971 -2.192 7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.491 -2.106 6.948 1.00 0.00 H new ATOM 0 HE ARG A 31 4.124 -2.557 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.330 -1.355 7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.773 -1.654 8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.982 -2.935 11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.577 -2.544 10.394 1.00 0.00 H new ATOM 545 N MET A 32 4.385 3.057 4.783 1.00 0.00 N ATOM 546 CA MET A 32 5.240 4.212 4.551 1.00 0.00 C ATOM 547 C MET A 32 4.464 5.505 4.783 1.00 0.00 C ATOM 548 O MET A 32 4.949 6.422 5.441 1.00 0.00 O ATOM 549 CB MET A 32 5.799 4.182 3.126 1.00 0.00 C ATOM 550 CG MET A 32 7.306 3.995 3.068 1.00 0.00 C ATOM 551 SD MET A 32 7.782 2.288 2.731 1.00 0.00 S ATOM 552 CE MET A 32 8.788 1.927 4.168 1.00 0.00 C ATOM 0 H MET A 32 4.164 2.520 3.944 1.00 0.00 H new ATOM 0 HA MET A 32 6.071 4.173 5.255 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.319 3.374 2.573 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.537 5.112 2.622 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.719 4.643 2.295 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.744 4.310 4.015 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.327 0.993 4.009 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.502 2.736 4.325 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.148 1.832 5.045 1.00 0.00 H new ATOM 562 N TYR A 33 3.252 5.567 4.239 1.00 0.00 N ATOM 563 CA TYR A 33 2.410 6.746 4.389 1.00 0.00 C ATOM 564 C TYR A 33 2.128 7.032 5.862 1.00 0.00 C ATOM 565 O TYR A 33 2.085 8.188 6.280 1.00 0.00 O ATOM 566 CB TYR A 33 1.091 6.559 3.636 1.00 0.00 C ATOM 567 CG TYR A 33 0.368 7.855 3.345 1.00 0.00 C ATOM 568 CD1 TYR A 33 1.058 8.968 2.880 1.00 0.00 C ATOM 569 CD2 TYR A 33 -1.002 7.964 3.535 1.00 0.00 C ATOM 570 CE1 TYR A 33 0.400 10.153 2.613 1.00 0.00 C ATOM 571 CE2 TYR A 33 -1.668 9.145 3.269 1.00 0.00 C ATOM 572 CZ TYR A 33 -0.963 10.237 2.808 1.00 0.00 C ATOM 573 OH TYR A 33 -1.625 11.415 2.541 1.00 0.00 O ATOM 0 H TYR A 33 2.833 4.815 3.692 1.00 0.00 H new ATOM 0 HA TYR A 33 2.945 7.596 3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.290 6.045 2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.437 5.912 4.221 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.125 8.906 2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.557 7.111 3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.950 11.010 2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.735 9.213 3.421 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.378 12.088 3.210 1.00 0.00 H new ATOM 583 N HIS A 34 1.928 5.977 6.642 1.00 0.00 N ATOM 584 CA HIS A 34 1.644 6.127 8.065 1.00 0.00 C ATOM 585 C HIS A 34 2.896 6.509 8.849 1.00 0.00 C ATOM 586 O HIS A 34 2.856 7.383 9.714 1.00 0.00 O ATOM 587 CB HIS A 34 1.053 4.832 8.625 1.00 0.00 C ATOM 588 CG HIS A 34 0.367 5.010 9.944 1.00 0.00 C ATOM 589 ND1 HIS A 34 0.933 4.632 11.144 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.846 5.530 10.250 1.00 0.00 C ATOM 591 CE1 HIS A 34 0.098 4.911 12.129 1.00 0.00 C ATOM 592 NE2 HIS A 34 -0.988 5.457 11.614 1.00 0.00 N ATOM 0 H HIS A 34 1.957 5.011 6.315 1.00 0.00 H new ATOM 0 HA HIS A 34 0.919 6.933 8.175 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.341 4.426 7.906 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.850 4.096 8.735 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.567 5.928 9.551 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.274 4.724 13.178 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -1.801 5.773 12.143 1.00 0.00 H new ATOM 601 N GLN A 35 4.000 5.833 8.558 1.00 0.00 N ATOM 602 CA GLN A 35 5.262 6.086 9.248 1.00 0.00 C ATOM 603 C GLN A 35 5.949 7.356 8.742 1.00 0.00 C ATOM 604 O GLN A 35 6.285 8.243 9.526 1.00 0.00 O ATOM 605 CB GLN A 35 6.198 4.887 9.082 1.00 0.00 C ATOM 606 CG GLN A 35 6.791 4.393 10.392 1.00 0.00 C ATOM 607 CD GLN A 35 6.495 2.927 10.652 1.00 0.00 C ATOM 608 OE1 GLN A 35 5.751 2.586 11.571 1.00 0.00 O ATOM 609 NE2 GLN A 35 7.081 2.054 9.840 1.00 0.00 N ATOM 0 H GLN A 35 4.049 5.103 7.847 1.00 0.00 H new ATOM 0 HA GLN A 35 5.034 6.233 10.304 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.650 4.071 8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.008 5.160 8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.870 4.545 10.378 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.396 4.991 11.213 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.690 2.383 9.091 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.922 1.054 9.965 1.00 0.00 H new ATOM 618 N THR A 36 6.177 7.425 7.435 1.00 0.00 N ATOM 619 CA THR A 36 6.847 8.570 6.831 1.00 0.00 C ATOM 620 C THR A 36 5.934 9.790 6.752 1.00 0.00 C ATOM 621 O THR A 36 6.373 10.917 6.981 1.00 0.00 O ATOM 622 CB THR A 36 7.344 8.204 5.432 1.00 0.00 C ATOM 623 OG1 THR A 36 6.293 8.281 4.487 1.00 0.00 O ATOM 624 CG2 THR A 36 7.938 6.813 5.348 1.00 0.00 C ATOM 0 H THR A 36 5.906 6.699 6.772 1.00 0.00 H new ATOM 0 HA THR A 36 7.692 8.830 7.468 1.00 0.00 H new ATOM 0 HB THR A 36 8.127 8.928 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.597 7.630 4.718 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.270 6.620 4.328 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.788 6.739 6.026 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.184 6.078 5.629 1.00 0.00 H new ATOM 632 N MET A 37 4.667 9.567 6.414 1.00 0.00 N ATOM 633 CA MET A 37 3.706 10.660 6.294 1.00 0.00 C ATOM 634 C MET A 37 4.021 11.524 5.076 1.00 0.00 C ATOM 635 O MET A 37 3.677 12.705 5.033 1.00 0.00 O ATOM 636 CB MET A 37 3.710 11.522 7.560 1.00 0.00 C ATOM 637 CG MET A 37 3.704 10.711 8.846 1.00 0.00 C ATOM 638 SD MET A 37 2.565 11.369 10.080 1.00 0.00 S ATOM 639 CE MET A 37 1.022 10.641 9.540 1.00 0.00 C ATOM 0 H MET A 37 4.282 8.643 6.219 1.00 0.00 H new ATOM 0 HA MET A 37 2.715 10.225 6.167 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.590 12.165 7.549 1.00 0.00 H new ATOM 0 HB3 MET A 37 2.838 12.175 7.548 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.431 9.680 8.619 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.711 10.690 9.262 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.219 10.955 10.206 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.801 10.969 8.524 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.106 9.554 9.560 1.00 0.00 H new ATOM 649 N ASP A 38 4.672 10.922 4.084 1.00 0.00 N ATOM 650 CA ASP A 38 5.033 11.630 2.860 1.00 0.00 C ATOM 651 C ASP A 38 4.246 11.086 1.672 1.00 0.00 C ATOM 652 O ASP A 38 4.275 9.888 1.392 1.00 0.00 O ATOM 653 CB ASP A 38 6.536 11.507 2.597 1.00 0.00 C ATOM 654 CG ASP A 38 7.251 12.841 2.687 1.00 0.00 C ATOM 655 OD1 ASP A 38 6.608 13.877 2.422 1.00 0.00 O ATOM 656 OD2 ASP A 38 8.453 12.848 3.023 1.00 0.00 O ATOM 0 H ASP A 38 4.961 9.944 4.104 1.00 0.00 H new ATOM 0 HA ASP A 38 4.783 12.683 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.972 10.815 3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.695 11.079 1.607 1.00 0.00 H new ATOM 661 N VAL A 39 3.546 11.976 0.978 1.00 0.00 N ATOM 662 CA VAL A 39 2.753 11.586 -0.179 1.00 0.00 C ATOM 663 C VAL A 39 3.637 11.360 -1.404 1.00 0.00 C ATOM 664 O VAL A 39 3.178 10.840 -2.421 1.00 0.00 O ATOM 665 CB VAL A 39 1.689 12.649 -0.517 1.00 0.00 C ATOM 666 CG1 VAL A 39 0.773 12.160 -1.627 1.00 0.00 C ATOM 667 CG2 VAL A 39 0.886 13.012 0.724 1.00 0.00 C ATOM 0 H VAL A 39 3.512 12.972 1.197 1.00 0.00 H new ATOM 0 HA VAL A 39 2.254 10.653 0.082 1.00 0.00 H new ATOM 0 HB VAL A 39 2.199 13.545 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.030 12.926 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.362 11.955 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.269 11.248 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.139 13.764 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.388 12.122 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.555 13.411 1.487 1.00 0.00 H new ATOM 677 N ALA A 40 4.906 11.747 -1.302 1.00 0.00 N ATOM 678 CA ALA A 40 5.839 11.578 -2.404 1.00 0.00 C ATOM 679 C ALA A 40 6.326 10.140 -2.477 1.00 0.00 C ATOM 680 O ALA A 40 6.536 9.597 -3.561 1.00 0.00 O ATOM 681 CB ALA A 40 7.015 12.533 -2.259 1.00 0.00 C ATOM 0 H ALA A 40 5.307 12.178 -0.469 1.00 0.00 H new ATOM 0 HA ALA A 40 5.318 11.811 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.703 12.392 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.651 13.561 -2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.534 12.331 -1.322 1.00 0.00 H new ATOM 687 N VAL A 41 6.488 9.522 -1.314 1.00 0.00 N ATOM 688 CA VAL A 41 6.935 8.143 -1.247 1.00 0.00 C ATOM 689 C VAL A 41 5.833 7.208 -1.728 1.00 0.00 C ATOM 690 O VAL A 41 6.099 6.175 -2.343 1.00 0.00 O ATOM 691 CB VAL A 41 7.349 7.747 0.182 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.949 6.349 0.196 1.00 0.00 C ATOM 693 CG2 VAL A 41 8.329 8.760 0.754 1.00 0.00 C ATOM 0 H VAL A 41 6.316 9.956 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 41 7.807 8.052 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 41 6.458 7.742 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.236 6.086 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.213 5.633 -0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.829 6.324 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.610 8.464 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.219 8.800 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.861 9.744 0.782 1.00 0.00 H new ATOM 703 N LEU A 42 4.591 7.587 -1.443 1.00 0.00 N ATOM 704 CA LEU A 42 3.437 6.797 -1.843 1.00 0.00 C ATOM 705 C LEU A 42 3.239 6.845 -3.355 1.00 0.00 C ATOM 706 O LEU A 42 3.054 5.810 -3.995 1.00 0.00 O ATOM 707 CB LEU A 42 2.182 7.311 -1.131 1.00 0.00 C ATOM 708 CG LEU A 42 1.957 6.773 0.287 1.00 0.00 C ATOM 709 CD1 LEU A 42 0.925 5.656 0.274 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.262 6.288 0.906 1.00 0.00 C ATOM 0 H LEU A 42 4.360 8.440 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 42 3.614 5.760 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.233 8.399 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.313 7.059 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 42 1.579 7.590 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.777 5.285 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.019 6.038 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.277 4.843 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.070 5.912 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.680 5.489 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.970 7.115 0.957 1.00 0.00 H new ATOM 722 N VAL A 43 3.281 8.048 -3.922 1.00 0.00 N ATOM 723 CA VAL A 43 3.105 8.216 -5.361 1.00 0.00 C ATOM 724 C VAL A 43 4.139 7.405 -6.138 1.00 0.00 C ATOM 725 O VAL A 43 3.824 6.798 -7.162 1.00 0.00 O ATOM 726 CB VAL A 43 3.212 9.698 -5.774 1.00 0.00 C ATOM 727 CG1 VAL A 43 2.947 9.865 -7.264 1.00 0.00 C ATOM 728 CG2 VAL A 43 2.249 10.549 -4.957 1.00 0.00 C ATOM 0 H VAL A 43 3.435 8.917 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 43 2.106 7.853 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 43 4.228 10.037 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.028 10.918 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.679 9.289 -7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.944 9.507 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.337 11.592 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.228 10.207 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.491 10.458 -3.898 1.00 0.00 H new ATOM 738 N GLY A 44 5.372 7.399 -5.645 1.00 0.00 N ATOM 739 CA GLY A 44 6.433 6.662 -6.306 1.00 0.00 C ATOM 740 C GLY A 44 6.197 5.163 -6.299 1.00 0.00 C ATOM 741 O GLY A 44 6.177 4.526 -7.351 1.00 0.00 O ATOM 0 H GLY A 44 5.656 7.892 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.522 7.007 -7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.381 6.879 -5.814 1.00 0.00 H new ATOM 745 N ASP A 45 6.023 4.597 -5.108 1.00 0.00 N ATOM 746 CA ASP A 45 5.794 3.163 -4.968 1.00 0.00 C ATOM 747 C ASP A 45 4.488 2.746 -5.640 1.00 0.00 C ATOM 748 O ASP A 45 4.451 1.779 -6.404 1.00 0.00 O ATOM 749 CB ASP A 45 5.766 2.773 -3.490 1.00 0.00 C ATOM 750 CG ASP A 45 7.118 2.936 -2.824 1.00 0.00 C ATOM 751 OD1 ASP A 45 7.789 3.959 -3.083 1.00 0.00 O ATOM 752 OD2 ASP A 45 7.509 2.042 -2.045 1.00 0.00 O ATOM 0 H ASP A 45 6.036 5.110 -4.226 1.00 0.00 H new ATOM 0 HA ASP A 45 6.615 2.642 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.031 3.386 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.440 1.737 -3.396 1.00 0.00 H new ATOM 757 N LEU A 46 3.416 3.478 -5.349 1.00 0.00 N ATOM 758 CA LEU A 46 2.107 3.179 -5.921 1.00 0.00 C ATOM 759 C LEU A 46 2.190 3.029 -7.436 1.00 0.00 C ATOM 760 O LEU A 46 1.655 2.080 -8.003 1.00 0.00 O ATOM 761 CB LEU A 46 1.101 4.272 -5.558 1.00 0.00 C ATOM 762 CG LEU A 46 0.417 4.092 -4.201 1.00 0.00 C ATOM 763 CD1 LEU A 46 0.411 5.399 -3.424 1.00 0.00 C ATOM 764 CD2 LEU A 46 -1.001 3.572 -4.383 1.00 0.00 C ATOM 0 H LEU A 46 3.428 4.282 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 46 1.769 2.232 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.613 5.234 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.335 4.312 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 46 0.983 3.357 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.080 5.248 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.437 5.729 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.128 6.157 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.472 3.450 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.576 4.283 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.973 2.610 -4.895 1.00 0.00 H new ATOM 776 N LYS A 47 2.867 3.970 -8.081 1.00 0.00 N ATOM 777 CA LYS A 47 3.024 3.940 -9.532 1.00 0.00 C ATOM 778 C LYS A 47 3.656 2.627 -9.981 1.00 0.00 C ATOM 779 O LYS A 47 3.129 1.930 -10.854 1.00 0.00 O ATOM 780 CB LYS A 47 3.876 5.123 -9.997 1.00 0.00 C ATOM 781 CG LYS A 47 3.130 6.088 -10.905 1.00 0.00 C ATOM 782 CD LYS A 47 3.190 7.513 -10.377 1.00 0.00 C ATOM 783 CE LYS A 47 4.320 8.299 -11.023 1.00 0.00 C ATOM 784 NZ LYS A 47 3.829 9.166 -12.130 1.00 0.00 N ATOM 0 H LYS A 47 3.316 4.764 -7.624 1.00 0.00 H new ATOM 0 HA LYS A 47 2.036 4.017 -9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.238 5.665 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.752 4.745 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.559 6.052 -11.906 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.089 5.775 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.241 8.014 -10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.329 7.496 -9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.811 8.915 -10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.070 7.608 -11.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.629 9.685 -12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.383 8.576 -12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.132 9.843 -11.758 1.00 0.00 H new ATOM 798 N LEU A 48 4.786 2.291 -9.372 1.00 0.00 N ATOM 799 CA LEU A 48 5.500 1.061 -9.696 1.00 0.00 C ATOM 800 C LEU A 48 4.556 -0.140 -9.677 1.00 0.00 C ATOM 801 O LEU A 48 4.661 -1.038 -10.513 1.00 0.00 O ATOM 802 CB LEU A 48 6.648 0.839 -8.707 1.00 0.00 C ATOM 803 CG LEU A 48 8.049 0.881 -9.319 1.00 0.00 C ATOM 804 CD1 LEU A 48 9.107 0.938 -8.227 1.00 0.00 C ATOM 805 CD2 LEU A 48 8.273 -0.326 -10.218 1.00 0.00 C ATOM 0 H LEU A 48 5.230 2.855 -8.648 1.00 0.00 H new ATOM 0 HA LEU A 48 5.909 1.161 -10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.586 1.598 -7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.508 -0.128 -8.223 1.00 0.00 H new ATOM 0 HG LEU A 48 8.134 1.783 -9.926 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.097 0.967 -8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.958 1.833 -7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.024 0.055 -7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.275 -0.280 -10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.169 -1.240 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.536 -0.324 -11.021 1.00 0.00 H new ATOM 817 N VAL A 49 3.631 -0.146 -8.722 1.00 0.00 N ATOM 818 CA VAL A 49 2.667 -1.235 -8.602 1.00 0.00 C ATOM 819 C VAL A 49 1.306 -0.848 -9.181 1.00 0.00 C ATOM 820 O VAL A 49 0.344 -1.610 -9.088 1.00 0.00 O ATOM 821 CB VAL A 49 2.488 -1.668 -7.133 1.00 0.00 C ATOM 822 CG1 VAL A 49 1.896 -0.539 -6.303 1.00 0.00 C ATOM 823 CG2 VAL A 49 1.622 -2.915 -7.046 1.00 0.00 C ATOM 0 H VAL A 49 3.528 0.589 -8.022 1.00 0.00 H new ATOM 0 HA VAL A 49 3.069 -2.071 -9.174 1.00 0.00 H new ATOM 0 HB VAL A 49 3.471 -1.905 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.779 -0.869 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.561 0.324 -6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.923 -0.262 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.507 -3.206 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.642 -2.708 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.096 -3.726 -7.598 1.00 0.00 H new ATOM 833 N ILE A 50 1.229 0.340 -9.774 1.00 0.00 N ATOM 834 CA ILE A 50 -0.013 0.826 -10.357 1.00 0.00 C ATOM 835 C ILE A 50 0.239 1.513 -11.698 1.00 0.00 C ATOM 836 O ILE A 50 -0.514 2.392 -12.117 1.00 0.00 O ATOM 837 CB ILE A 50 -0.737 1.795 -9.396 1.00 0.00 C ATOM 838 CG1 ILE A 50 -1.042 1.097 -8.072 1.00 0.00 C ATOM 839 CG2 ILE A 50 -2.020 2.315 -10.020 1.00 0.00 C ATOM 840 CD1 ILE A 50 -1.350 2.053 -6.941 1.00 0.00 C ATOM 0 H ILE A 50 2.015 0.984 -9.862 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.653 -0.040 -10.526 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.079 2.643 -9.206 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.890 0.427 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.189 0.478 -7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.513 2.995 -9.325 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.787 2.845 -10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.683 1.478 -10.240 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.557 1.487 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.494 2.707 -6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.221 2.654 -7.200 1.00 0.00 H new ATOM 852 N ASN A 51 1.307 1.105 -12.367 1.00 0.00 N ATOM 853 CA ASN A 51 1.663 1.677 -13.660 1.00 0.00 C ATOM 854 C ASN A 51 0.929 0.983 -14.808 1.00 0.00 C ATOM 855 O ASN A 51 1.279 1.175 -15.974 1.00 0.00 O ATOM 856 CB ASN A 51 3.173 1.578 -13.883 1.00 0.00 C ATOM 857 CG ASN A 51 3.922 2.765 -13.310 1.00 0.00 C ATOM 858 OD1 ASN A 51 3.509 3.913 -13.474 1.00 0.00 O ATOM 859 ND2 ASN A 51 5.030 2.491 -12.631 1.00 0.00 N ATOM 0 H ASN A 51 1.944 0.380 -12.037 1.00 0.00 H new ATOM 0 HA ASN A 51 1.361 2.724 -13.649 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.546 0.662 -13.425 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.376 1.506 -14.952 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.577 3.248 -12.220 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.334 1.524 -12.520 1.00 0.00 H new ATOM 866 N GLU A 52 -0.088 0.179 -14.492 1.00 0.00 N ATOM 867 CA GLU A 52 -0.845 -0.519 -15.524 1.00 0.00 C ATOM 868 C GLU A 52 -2.334 -0.227 -15.389 1.00 0.00 C ATOM 869 O GLU A 52 -2.854 -0.124 -14.279 1.00 0.00 O ATOM 870 CB GLU A 52 -0.603 -2.027 -15.436 1.00 0.00 C ATOM 871 CG GLU A 52 0.849 -2.400 -15.186 1.00 0.00 C ATOM 872 CD GLU A 52 1.728 -2.172 -16.400 1.00 0.00 C ATOM 873 OE1 GLU A 52 1.632 -2.967 -17.359 1.00 0.00 O ATOM 874 OE2 GLU A 52 2.510 -1.199 -16.392 1.00 0.00 O ATOM 0 H GLU A 52 -0.402 -0.002 -13.538 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.504 -0.161 -16.495 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.217 -2.438 -14.635 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.934 -2.494 -16.364 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.232 -1.814 -14.350 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.905 -3.448 -14.893 1.00 0.00 H new ATOM 881 N PRO A 53 -3.049 -0.094 -16.521 1.00 0.00 N ATOM 882 CA PRO A 53 -4.486 0.182 -16.510 1.00 0.00 C ATOM 883 C PRO A 53 -5.227 -0.714 -15.523 1.00 0.00 C ATOM 884 O PRO A 53 -6.145 -0.275 -14.832 1.00 0.00 O ATOM 885 CB PRO A 53 -4.911 -0.130 -17.943 1.00 0.00 C ATOM 886 CG PRO A 53 -3.697 0.142 -18.762 1.00 0.00 C ATOM 887 CD PRO A 53 -2.517 -0.208 -17.892 1.00 0.00 C ATOM 0 HA PRO A 53 -4.713 1.202 -16.199 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.234 -1.166 -18.044 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.747 0.496 -18.254 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.700 -0.456 -19.673 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.659 1.188 -19.067 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.152 -1.214 -18.098 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.682 0.474 -18.056 1.00 0.00 H new ATOM 895 N SER A 54 -4.805 -1.972 -15.457 1.00 0.00 N ATOM 896 CA SER A 54 -5.411 -2.938 -14.550 1.00 0.00 C ATOM 897 C SER A 54 -5.075 -2.598 -13.102 1.00 0.00 C ATOM 898 O SER A 54 -5.877 -2.827 -12.197 1.00 0.00 O ATOM 899 CB SER A 54 -4.930 -4.352 -14.880 1.00 0.00 C ATOM 900 OG SER A 54 -5.971 -5.298 -14.710 1.00 0.00 O ATOM 0 H SER A 54 -4.043 -2.347 -16.023 1.00 0.00 H new ATOM 0 HA SER A 54 -6.493 -2.894 -14.677 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.568 -4.386 -15.908 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.089 -4.613 -14.237 1.00 0.00 H new ATOM 0 HG SER A 54 -5.638 -6.193 -14.929 1.00 0.00 H new ATOM 906 N ARG A 55 -3.879 -2.056 -12.893 1.00 0.00 N ATOM 907 CA ARG A 55 -3.426 -1.689 -11.558 1.00 0.00 C ATOM 908 C ARG A 55 -3.792 -0.244 -11.213 1.00 0.00 C ATOM 909 O ARG A 55 -3.685 0.171 -10.059 1.00 0.00 O ATOM 910 CB ARG A 55 -1.916 -1.896 -11.442 1.00 0.00 C ATOM 911 CG ARG A 55 -1.473 -3.307 -11.795 1.00 0.00 C ATOM 912 CD ARG A 55 -0.003 -3.355 -12.179 1.00 0.00 C ATOM 913 NE ARG A 55 0.321 -4.560 -12.941 1.00 0.00 N ATOM 914 CZ ARG A 55 1.558 -5.030 -13.092 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.587 -4.402 -12.538 1.00 0.00 N ATOM 916 NH2 ARG A 55 1.764 -6.134 -13.798 1.00 0.00 N ATOM 0 H ARG A 55 -3.206 -1.861 -13.634 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.935 -2.336 -10.843 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.408 -1.189 -12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.602 -1.668 -10.423 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.649 -3.967 -10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.077 -3.682 -12.621 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.247 -2.474 -12.769 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.609 -3.319 -11.278 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.444 -5.070 -13.382 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.433 -3.554 -11.993 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.532 -4.767 -12.658 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.976 -6.621 -14.224 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.711 -6.495 -13.915 1.00 0.00 H new ATOM 930 N LEU A 56 -4.231 0.515 -12.215 1.00 0.00 N ATOM 931 CA LEU A 56 -4.617 1.910 -12.016 1.00 0.00 C ATOM 932 C LEU A 56 -5.665 2.057 -10.909 1.00 0.00 C ATOM 933 O LEU A 56 -5.556 2.941 -10.058 1.00 0.00 O ATOM 934 CB LEU A 56 -5.154 2.501 -13.322 1.00 0.00 C ATOM 935 CG LEU A 56 -4.094 3.126 -14.230 1.00 0.00 C ATOM 936 CD1 LEU A 56 -4.744 3.758 -15.451 1.00 0.00 C ATOM 937 CD2 LEU A 56 -3.278 4.160 -13.464 1.00 0.00 C ATOM 0 H LEU A 56 -4.328 0.186 -13.176 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.726 2.457 -11.708 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.668 1.715 -13.875 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.898 3.260 -13.081 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.421 2.338 -14.568 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.975 4.198 -16.086 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.285 2.995 -16.011 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.439 4.535 -15.132 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.528 4.595 -14.125 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.938 4.946 -13.098 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.783 3.680 -12.620 1.00 0.00 H new ATOM 949 N PRO A 57 -6.704 1.201 -10.907 1.00 0.00 N ATOM 950 CA PRO A 57 -7.776 1.253 -9.907 1.00 0.00 C ATOM 951 C PRO A 57 -7.270 1.407 -8.472 1.00 0.00 C ATOM 952 O PRO A 57 -7.991 1.900 -7.608 1.00 0.00 O ATOM 953 CB PRO A 57 -8.478 -0.091 -10.083 1.00 0.00 C ATOM 954 CG PRO A 57 -8.283 -0.422 -11.520 1.00 0.00 C ATOM 955 CD PRO A 57 -6.928 0.121 -11.890 1.00 0.00 C ATOM 0 HA PRO A 57 -8.417 2.122 -10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.044 -0.854 -9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.536 -0.023 -9.830 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.330 -1.499 -11.682 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.064 0.027 -12.133 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.157 -0.647 -11.824 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.914 0.500 -12.912 1.00 0.00 H new ATOM 963 N LEU A 58 -6.035 0.980 -8.215 1.00 0.00 N ATOM 964 CA LEU A 58 -5.468 1.078 -6.874 1.00 0.00 C ATOM 965 C LEU A 58 -5.122 2.525 -6.533 1.00 0.00 C ATOM 966 O LEU A 58 -5.267 2.953 -5.387 1.00 0.00 O ATOM 967 CB LEU A 58 -4.224 0.201 -6.753 1.00 0.00 C ATOM 968 CG LEU A 58 -4.360 -1.205 -7.342 1.00 0.00 C ATOM 969 CD1 LEU A 58 -2.989 -1.810 -7.599 1.00 0.00 C ATOM 970 CD2 LEU A 58 -5.171 -2.095 -6.414 1.00 0.00 C ATOM 0 H LEU A 58 -5.414 0.567 -8.911 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.218 0.726 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.393 0.706 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.962 0.112 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.886 -1.131 -8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.105 -2.810 -8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.441 -1.183 -8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.437 -1.871 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.258 -3.091 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.672 -2.163 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.166 -1.670 -6.280 1.00 0.00 H new ATOM 982 N PHE A 59 -4.668 3.272 -7.532 1.00 0.00 N ATOM 983 CA PHE A 59 -4.305 4.673 -7.335 1.00 0.00 C ATOM 984 C PHE A 59 -5.492 5.469 -6.799 1.00 0.00 C ATOM 985 O PHE A 59 -5.376 6.180 -5.801 1.00 0.00 O ATOM 986 CB PHE A 59 -3.819 5.284 -8.654 1.00 0.00 C ATOM 987 CG PHE A 59 -2.504 6.001 -8.536 1.00 0.00 C ATOM 988 CD1 PHE A 59 -1.313 5.295 -8.532 1.00 0.00 C ATOM 989 CD2 PHE A 59 -2.460 7.383 -8.434 1.00 0.00 C ATOM 990 CE1 PHE A 59 -0.102 5.953 -8.429 1.00 0.00 C ATOM 991 CE2 PHE A 59 -1.253 8.046 -8.330 1.00 0.00 C ATOM 992 CZ PHE A 59 -0.071 7.330 -8.328 1.00 0.00 C ATOM 0 H PHE A 59 -4.542 2.933 -8.486 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.499 4.717 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.727 4.493 -9.399 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.572 5.981 -9.021 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.330 4.218 -8.610 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.381 7.948 -8.436 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.820 5.390 -8.427 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.233 9.123 -8.250 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.874 7.846 -8.248 1.00 0.00 H new ATOM 1002 N ASP A 60 -6.632 5.338 -7.469 1.00 0.00 N ATOM 1003 CA ASP A 60 -7.846 6.037 -7.066 1.00 0.00 C ATOM 1004 C ASP A 60 -8.468 5.379 -5.840 1.00 0.00 C ATOM 1005 O ASP A 60 -9.104 6.040 -5.022 1.00 0.00 O ATOM 1006 CB ASP A 60 -8.855 6.055 -8.216 1.00 0.00 C ATOM 1007 CG ASP A 60 -9.658 7.340 -8.260 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -10.060 7.826 -7.181 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -9.887 7.860 -9.372 1.00 0.00 O ATOM 0 H ASP A 60 -6.740 4.752 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.578 7.062 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.327 5.927 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.534 5.209 -8.113 1.00 0.00 H new ATOM 1014 N ALA A 61 -8.288 4.068 -5.732 1.00 0.00 N ATOM 1015 CA ALA A 61 -8.835 3.301 -4.621 1.00 0.00 C ATOM 1016 C ALA A 61 -8.282 3.774 -3.276 1.00 0.00 C ATOM 1017 O ALA A 61 -9.042 4.125 -2.372 1.00 0.00 O ATOM 1018 CB ALA A 61 -8.539 1.827 -4.828 1.00 0.00 C ATOM 0 H ALA A 61 -7.763 3.511 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.913 3.458 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.948 1.253 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.995 1.492 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.461 1.676 -4.877 1.00 0.00 H new ATOM 1024 N ILE A 62 -6.961 3.768 -3.145 1.00 0.00 N ATOM 1025 CA ILE A 62 -6.303 4.185 -1.912 1.00 0.00 C ATOM 1026 C ILE A 62 -6.492 5.681 -1.652 1.00 0.00 C ATOM 1027 O ILE A 62 -6.552 6.121 -0.504 1.00 0.00 O ATOM 1028 CB ILE A 62 -4.793 3.844 -1.958 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -4.349 3.199 -0.643 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -3.946 5.076 -2.260 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -3.277 2.145 -0.818 1.00 0.00 C ATOM 0 H ILE A 62 -6.320 3.477 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 62 -6.768 3.637 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.641 3.132 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.978 3.975 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.215 2.748 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.893 4.796 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.234 5.488 -3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.105 5.826 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.011 1.731 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.651 1.349 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.395 2.595 -1.274 1.00 0.00 H new ATOM 1043 N ARG A 63 -6.564 6.454 -2.733 1.00 0.00 N ATOM 1044 CA ARG A 63 -6.726 7.910 -2.654 1.00 0.00 C ATOM 1045 C ARG A 63 -7.654 8.336 -1.507 1.00 0.00 C ATOM 1046 O ARG A 63 -7.224 9.018 -0.579 1.00 0.00 O ATOM 1047 CB ARG A 63 -7.261 8.449 -3.983 1.00 0.00 C ATOM 1048 CG ARG A 63 -6.275 9.339 -4.722 1.00 0.00 C ATOM 1049 CD ARG A 63 -6.994 10.336 -5.617 1.00 0.00 C ATOM 1050 NE ARG A 63 -7.714 11.345 -4.844 1.00 0.00 N ATOM 1051 CZ ARG A 63 -8.916 11.820 -5.167 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -9.543 11.392 -6.257 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -9.495 12.733 -4.398 1.00 0.00 N ATOM 0 H ARG A 63 -6.512 6.094 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.742 8.333 -2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.530 7.609 -4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.175 9.012 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.655 9.874 -4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.606 8.723 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.270 10.826 -6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.694 9.805 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.267 11.709 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.104 10.693 -6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.463 11.763 -6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.020 13.070 -3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.415 13.098 -4.644 1.00 0.00 H new ATOM 1067 N PRO A 64 -8.944 7.947 -1.562 1.00 0.00 N ATOM 1068 CA PRO A 64 -9.930 8.297 -0.537 1.00 0.00 C ATOM 1069 C PRO A 64 -9.362 8.304 0.882 1.00 0.00 C ATOM 1070 O PRO A 64 -9.786 9.094 1.724 1.00 0.00 O ATOM 1071 CB PRO A 64 -10.970 7.192 -0.690 1.00 0.00 C ATOM 1072 CG PRO A 64 -10.945 6.845 -2.140 1.00 0.00 C ATOM 1073 CD PRO A 64 -9.549 7.142 -2.638 1.00 0.00 C ATOM 0 HA PRO A 64 -10.313 9.309 -0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.724 6.328 -0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.958 7.533 -0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.193 5.794 -2.290 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.684 7.429 -2.690 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.986 6.226 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.571 7.689 -3.580 1.00 0.00 H new ATOM 1081 N LEU A 65 -8.396 7.428 1.139 1.00 0.00 N ATOM 1082 CA LEU A 65 -7.772 7.350 2.455 1.00 0.00 C ATOM 1083 C LEU A 65 -7.012 8.632 2.740 1.00 0.00 C ATOM 1084 O LEU A 65 -7.174 9.259 3.786 1.00 0.00 O ATOM 1085 CB LEU A 65 -6.820 6.156 2.537 1.00 0.00 C ATOM 1086 CG LEU A 65 -7.362 4.843 1.973 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -6.234 3.836 1.818 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -8.459 4.287 2.870 1.00 0.00 C ATOM 0 H LEU A 65 -8.029 6.765 0.456 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.556 7.217 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.902 6.408 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.551 5.999 3.582 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.793 5.036 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.631 2.904 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.482 4.234 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.779 3.647 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.832 3.352 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.056 4.104 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.275 5.007 2.935 1.00 0.00 H new ATOM 1100 N ILE A 66 -6.178 9.007 1.780 1.00 0.00 N ATOM 1101 CA ILE A 66 -5.370 10.208 1.871 1.00 0.00 C ATOM 1102 C ILE A 66 -6.205 11.405 2.341 1.00 0.00 C ATOM 1103 O ILE A 66 -7.302 11.642 1.833 1.00 0.00 O ATOM 1104 CB ILE A 66 -4.725 10.509 0.497 1.00 0.00 C ATOM 1105 CG1 ILE A 66 -3.415 9.731 0.343 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -4.487 11.996 0.310 1.00 0.00 C ATOM 1107 CD1 ILE A 66 -3.493 8.613 -0.675 1.00 0.00 C ATOM 0 H ILE A 66 -6.045 8.483 0.915 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.586 10.039 2.609 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.420 10.185 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.623 10.422 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.134 9.313 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.033 12.172 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.437 12.527 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.820 12.359 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.530 8.105 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.262 7.901 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.743 9.027 -1.652 1.00 0.00 H new ATOM 1119 N PRO A 67 -5.694 12.178 3.319 1.00 0.00 N ATOM 1120 CA PRO A 67 -6.399 13.352 3.851 1.00 0.00 C ATOM 1121 C PRO A 67 -6.894 14.278 2.747 1.00 0.00 C ATOM 1122 O PRO A 67 -6.477 14.161 1.596 1.00 0.00 O ATOM 1123 CB PRO A 67 -5.335 14.048 4.699 1.00 0.00 C ATOM 1124 CG PRO A 67 -4.417 12.954 5.120 1.00 0.00 C ATOM 1125 CD PRO A 67 -4.392 11.971 3.981 1.00 0.00 C ATOM 0 HA PRO A 67 -7.293 13.075 4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.807 14.810 4.126 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.778 14.547 5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.418 13.340 5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.769 12.480 6.036 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.561 12.164 3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.281 10.947 4.337 1.00 0.00 H new ATOM 1133 N LEU A 68 -7.787 15.198 3.102 1.00 0.00 N ATOM 1134 CA LEU A 68 -8.339 16.141 2.135 1.00 0.00 C ATOM 1135 C LEU A 68 -7.228 16.933 1.454 1.00 0.00 C ATOM 1136 O LEU A 68 -7.096 16.909 0.231 1.00 0.00 O ATOM 1137 CB LEU A 68 -9.321 17.093 2.824 1.00 0.00 C ATOM 1138 CG LEU A 68 -10.743 17.070 2.263 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -11.404 15.728 2.541 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -11.567 18.204 2.854 1.00 0.00 C ATOM 0 H LEU A 68 -8.143 15.310 4.051 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.872 15.574 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.361 16.845 3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.933 18.109 2.748 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.690 17.210 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.415 15.730 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.825 14.933 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.445 15.559 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.576 18.173 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.612 18.095 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.104 19.159 2.605 1.00 0.00 H new ATOM 1152 N LYS A 69 -6.426 17.630 2.252 1.00 0.00 N ATOM 1153 CA LYS A 69 -5.322 18.422 1.720 1.00 0.00 C ATOM 1154 C LYS A 69 -4.361 17.532 0.937 1.00 0.00 C ATOM 1155 O LYS A 69 -4.005 17.831 -0.205 1.00 0.00 O ATOM 1156 CB LYS A 69 -4.577 19.134 2.852 1.00 0.00 C ATOM 1157 CG LYS A 69 -4.147 18.209 3.980 1.00 0.00 C ATOM 1158 CD LYS A 69 -4.224 18.903 5.332 1.00 0.00 C ATOM 1159 CE LYS A 69 -2.841 19.187 5.896 1.00 0.00 C ATOM 1160 NZ LYS A 69 -2.864 19.324 7.379 1.00 0.00 N ATOM 0 H LYS A 69 -6.519 17.663 3.267 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.732 19.175 1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.695 19.625 2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.217 19.916 3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.783 17.324 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.127 17.868 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.775 19.838 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.781 18.279 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.162 18.381 5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.449 20.102 5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.902 19.517 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.492 20.109 7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.214 18.442 7.804 1.00 0.00 H new ATOM 1174 N HIS A 70 -3.957 16.429 1.557 1.00 0.00 N ATOM 1175 CA HIS A 70 -3.051 15.486 0.918 1.00 0.00 C ATOM 1176 C HIS A 70 -3.678 14.926 -0.353 1.00 0.00 C ATOM 1177 O HIS A 70 -2.977 14.555 -1.293 1.00 0.00 O ATOM 1178 CB HIS A 70 -2.700 14.352 1.883 1.00 0.00 C ATOM 1179 CG HIS A 70 -1.856 14.792 3.037 1.00 0.00 C ATOM 1180 ND1 HIS A 70 -1.460 13.944 4.050 1.00 0.00 N ATOM 1181 CD2 HIS A 70 -1.332 16.004 3.338 1.00 0.00 C ATOM 1182 CE1 HIS A 70 -0.729 14.615 4.923 1.00 0.00 C ATOM 1183 NE2 HIS A 70 -0.636 15.866 4.513 1.00 0.00 N ATOM 0 H HIS A 70 -4.243 16.167 2.500 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.134 16.011 0.649 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -3.621 13.911 2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.174 13.569 1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.441 16.910 2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.284 14.209 5.819 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.129 16.610 4.992 1.00 0.00 H new ATOM 1192 N GLN A 71 -5.009 14.885 -0.381 1.00 0.00 N ATOM 1193 CA GLN A 71 -5.732 14.387 -1.546 1.00 0.00 C ATOM 1194 C GLN A 71 -5.497 15.309 -2.735 1.00 0.00 C ATOM 1195 O GLN A 71 -5.242 14.853 -3.850 1.00 0.00 O ATOM 1196 CB GLN A 71 -7.229 14.285 -1.248 1.00 0.00 C ATOM 1197 CG GLN A 71 -7.744 12.855 -1.190 1.00 0.00 C ATOM 1198 CD GLN A 71 -9.241 12.782 -0.960 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -10.027 13.339 -1.726 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -9.643 12.092 0.102 1.00 0.00 N ATOM 0 H GLN A 71 -5.606 15.190 0.388 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.360 13.391 -1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.435 14.775 -0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.781 14.830 -2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.498 12.346 -2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.231 12.320 -0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.956 11.646 0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.638 12.008 0.309 1.00 0.00 H new ATOM 1209 N VAL A 72 -5.573 16.610 -2.482 1.00 0.00 N ATOM 1210 CA VAL A 72 -5.358 17.605 -3.521 1.00 0.00 C ATOM 1211 C VAL A 72 -3.949 17.488 -4.081 1.00 0.00 C ATOM 1212 O VAL A 72 -3.742 17.538 -5.294 1.00 0.00 O ATOM 1213 CB VAL A 72 -5.573 19.035 -2.992 1.00 0.00 C ATOM 1214 CG1 VAL A 72 -5.558 20.038 -4.134 1.00 0.00 C ATOM 1215 CG2 VAL A 72 -6.877 19.124 -2.212 1.00 0.00 C ATOM 0 H VAL A 72 -5.783 17.000 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.087 17.414 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.753 19.279 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.712 21.042 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.597 19.993 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.355 19.800 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.013 20.141 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.710 18.859 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.844 18.436 -1.368 1.00 0.00 H new ATOM 1225 N GLU A 73 -2.982 17.320 -3.187 1.00 0.00 N ATOM 1226 CA GLU A 73 -1.588 17.181 -3.587 1.00 0.00 C ATOM 1227 C GLU A 73 -1.384 15.882 -4.359 1.00 0.00 C ATOM 1228 O GLU A 73 -0.763 15.868 -5.423 1.00 0.00 O ATOM 1229 CB GLU A 73 -0.676 17.208 -2.358 1.00 0.00 C ATOM 1230 CG GLU A 73 0.669 17.868 -2.616 1.00 0.00 C ATOM 1231 CD GLU A 73 1.607 17.759 -1.430 1.00 0.00 C ATOM 1232 OE1 GLU A 73 1.173 18.062 -0.298 1.00 0.00 O ATOM 1233 OE2 GLU A 73 2.777 17.372 -1.633 1.00 0.00 O ATOM 0 H GLU A 73 -3.138 17.277 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.330 18.019 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.183 17.737 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.511 16.187 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.135 17.407 -3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.514 18.920 -2.857 1.00 0.00 H new ATOM 1240 N TYR A 74 -1.923 14.791 -3.821 1.00 0.00 N ATOM 1241 CA TYR A 74 -1.812 13.486 -4.459 1.00 0.00 C ATOM 1242 C TYR A 74 -2.456 13.512 -5.839 1.00 0.00 C ATOM 1243 O TYR A 74 -1.958 12.896 -6.781 1.00 0.00 O ATOM 1244 CB TYR A 74 -2.475 12.414 -3.591 1.00 0.00 C ATOM 1245 CG TYR A 74 -2.374 11.017 -4.160 1.00 0.00 C ATOM 1246 CD1 TYR A 74 -3.246 10.586 -5.151 1.00 0.00 C ATOM 1247 CD2 TYR A 74 -1.410 10.127 -3.703 1.00 0.00 C ATOM 1248 CE1 TYR A 74 -3.160 9.308 -5.672 1.00 0.00 C ATOM 1249 CE2 TYR A 74 -1.317 8.848 -4.218 1.00 0.00 C ATOM 1250 CZ TYR A 74 -2.195 8.444 -5.201 1.00 0.00 C ATOM 1251 OH TYR A 74 -2.106 7.171 -5.716 1.00 0.00 O ATOM 0 H TYR A 74 -2.442 14.787 -2.943 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.755 13.245 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.017 12.427 -2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.527 12.667 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.004 11.260 -5.521 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.722 10.440 -2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.845 8.989 -6.444 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.561 8.169 -3.853 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.682 7.204 -6.599 1.00 0.00 H new ATOM 1261 N ASP A 75 -3.563 14.238 -5.949 1.00 0.00 N ATOM 1262 CA ASP A 75 -4.277 14.358 -7.213 1.00 0.00 C ATOM 1263 C ASP A 75 -3.429 15.099 -8.239 1.00 0.00 C ATOM 1264 O ASP A 75 -3.348 14.697 -9.398 1.00 0.00 O ATOM 1265 CB ASP A 75 -5.604 15.092 -7.007 1.00 0.00 C ATOM 1266 CG ASP A 75 -6.710 14.545 -7.887 1.00 0.00 C ATOM 1267 OD1 ASP A 75 -7.395 13.591 -7.458 1.00 0.00 O ATOM 1268 OD2 ASP A 75 -6.894 15.069 -9.006 1.00 0.00 O ATOM 0 H ASP A 75 -3.985 14.753 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.481 13.355 -7.586 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.902 15.012 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.466 16.152 -7.218 1.00 0.00 H new ATOM 1273 N GLN A 76 -2.800 16.185 -7.804 1.00 0.00 N ATOM 1274 CA GLN A 76 -1.954 16.989 -8.678 1.00 0.00 C ATOM 1275 C GLN A 76 -0.702 16.223 -9.108 1.00 0.00 C ATOM 1276 O GLN A 76 -0.105 16.529 -10.140 1.00 0.00 O ATOM 1277 CB GLN A 76 -1.550 18.285 -7.974 1.00 0.00 C ATOM 1278 CG GLN A 76 -2.711 19.229 -7.717 1.00 0.00 C ATOM 1279 CD GLN A 76 -2.316 20.422 -6.870 1.00 0.00 C ATOM 1280 OE1 GLN A 76 -1.794 21.413 -7.379 1.00 0.00 O ATOM 1281 NE2 GLN A 76 -2.561 20.330 -5.568 1.00 0.00 N ATOM 0 H GLN A 76 -2.861 16.530 -6.846 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.531 17.224 -9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.076 18.039 -7.024 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.803 18.799 -8.579 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.107 19.580 -8.670 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.514 18.685 -7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.996 19.489 -5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.314 21.101 -4.947 1.00 0.00 H new ATOM 1290 N LEU A 77 -0.297 15.243 -8.302 1.00 0.00 N ATOM 1291 CA LEU A 77 0.900 14.457 -8.595 1.00 0.00 C ATOM 1292 C LEU A 77 0.585 13.216 -9.429 1.00 0.00 C ATOM 1293 O LEU A 77 1.447 12.707 -10.145 1.00 0.00 O ATOM 1294 CB LEU A 77 1.584 14.037 -7.293 1.00 0.00 C ATOM 1295 CG LEU A 77 2.239 15.175 -6.510 1.00 0.00 C ATOM 1296 CD1 LEU A 77 2.492 14.752 -5.069 1.00 0.00 C ATOM 1297 CD2 LEU A 77 3.539 15.602 -7.177 1.00 0.00 C ATOM 0 H LEU A 77 -0.778 14.975 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 77 1.567 15.091 -9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.846 13.553 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.344 13.291 -7.524 1.00 0.00 H new ATOM 0 HG LEU A 77 1.559 16.027 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.959 15.573 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.545 14.494 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.153 13.886 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.992 16.413 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.225 14.756 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.332 15.944 -8.191 1.00 0.00 H new ATOM 1309 N THR A 78 -0.645 12.722 -9.326 1.00 0.00 N ATOM 1310 CA THR A 78 -1.053 11.529 -10.067 1.00 0.00 C ATOM 1311 C THR A 78 -0.721 11.628 -11.562 1.00 0.00 C ATOM 1312 O THR A 78 -0.339 10.631 -12.175 1.00 0.00 O ATOM 1313 CB THR A 78 -2.548 11.257 -9.874 1.00 0.00 C ATOM 1314 OG1 THR A 78 -3.328 12.360 -10.295 1.00 0.00 O ATOM 1315 CG2 THR A 78 -2.918 10.951 -8.438 1.00 0.00 C ATOM 0 H THR A 78 -1.375 13.126 -8.740 1.00 0.00 H new ATOM 0 HA THR A 78 -0.482 10.694 -9.661 1.00 0.00 H new ATOM 0 HB THR A 78 -2.758 10.379 -10.485 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.400 13.008 -9.563 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.990 10.768 -8.370 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.377 10.066 -8.103 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.654 11.799 -7.806 1.00 0.00 H new ATOM 1323 N PRO A 79 -0.861 12.819 -12.181 1.00 0.00 N ATOM 1324 CA PRO A 79 -0.573 13.009 -13.600 1.00 0.00 C ATOM 1325 C PRO A 79 0.914 13.220 -13.866 1.00 0.00 C ATOM 1326 O PRO A 79 1.738 13.135 -12.955 1.00 0.00 O ATOM 1327 CB PRO A 79 -1.365 14.276 -13.970 1.00 0.00 C ATOM 1328 CG PRO A 79 -2.022 14.746 -12.707 1.00 0.00 C ATOM 1329 CD PRO A 79 -1.307 14.071 -11.571 1.00 0.00 C ATOM 0 HA PRO A 79 -0.850 12.133 -14.187 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.704 15.043 -14.373 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.108 14.060 -14.737 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.955 15.830 -12.616 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.082 14.490 -12.704 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.470 14.666 -11.207 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.967 13.897 -10.722 1.00 0.00 H new ATOM 1337 N ARG A 80 1.249 13.500 -15.122 1.00 0.00 N ATOM 1338 CA ARG A 80 2.636 13.727 -15.515 1.00 0.00 C ATOM 1339 C ARG A 80 2.849 15.180 -15.930 1.00 0.00 C ATOM 1340 O ARG A 80 3.927 15.741 -15.731 1.00 0.00 O ATOM 1341 CB ARG A 80 3.023 12.793 -16.663 1.00 0.00 C ATOM 1342 CG ARG A 80 2.069 12.851 -17.844 1.00 0.00 C ATOM 1343 CD ARG A 80 2.649 12.151 -19.062 1.00 0.00 C ATOM 1344 NE ARG A 80 1.989 12.568 -20.298 1.00 0.00 N ATOM 1345 CZ ARG A 80 0.807 12.106 -20.700 1.00 0.00 C ATOM 1346 NH1 ARG A 80 0.154 11.209 -19.971 1.00 0.00 N ATOM 1347 NH2 ARG A 80 0.277 12.540 -21.835 1.00 0.00 N ATOM 0 H ARG A 80 0.578 13.575 -15.886 1.00 0.00 H new ATOM 0 HA ARG A 80 3.272 13.515 -14.656 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.026 13.048 -17.005 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.063 11.770 -16.290 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.122 12.385 -17.572 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.854 13.891 -18.089 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.716 12.366 -19.130 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.548 11.072 -18.943 1.00 0.00 H new ATOM 0 HE ARG A 80 2.462 13.253 -20.887 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.558 10.870 -19.098 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.751 10.859 -20.284 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.775 13.228 -22.400 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.629 12.186 -22.143 1.00 0.00 H new TER 1361 ARG A 80 ATOM 1362 N GLY B 98 -7.965 12.769 10.691 1.00 0.00 N ATOM 1363 CA GLY B 98 -8.504 11.624 9.979 1.00 0.00 C ATOM 1364 C GLY B 98 -7.424 10.673 9.506 1.00 0.00 C ATOM 1365 O GLY B 98 -6.380 11.102 9.018 1.00 0.00 O ATOM 0 HA2 GLY B 98 -9.195 11.088 10.630 1.00 0.00 H new ATOM 0 HA3 GLY B 98 -9.079 11.972 9.121 1.00 0.00 H new ATOM 1369 N SER B 99 -7.677 9.374 9.649 1.00 0.00 N ATOM 1370 CA SER B 99 -6.717 8.358 9.232 1.00 0.00 C ATOM 1371 C SER B 99 -7.433 7.101 8.748 1.00 0.00 C ATOM 1372 O SER B 99 -8.079 6.403 9.529 1.00 0.00 O ATOM 1373 CB SER B 99 -5.777 8.011 10.387 1.00 0.00 C ATOM 1374 OG SER B 99 -6.457 7.289 11.400 1.00 0.00 O ATOM 0 H SER B 99 -8.538 9.002 10.050 1.00 0.00 H new ATOM 0 HA SER B 99 -6.132 8.762 8.406 1.00 0.00 H new ATOM 0 HB2 SER B 99 -4.941 7.420 10.014 1.00 0.00 H new ATOM 0 HB3 SER B 99 -5.359 8.926 10.807 1.00 0.00 H new ATOM 0 HG SER B 99 -7.313 6.964 11.051 1.00 0.00 H new ATOM 1380 N LEU B 100 -7.314 6.819 7.454 1.00 0.00 N ATOM 1381 CA LEU B 100 -7.952 5.645 6.866 1.00 0.00 C ATOM 1382 C LEU B 100 -6.910 4.644 6.374 1.00 0.00 C ATOM 1383 O LEU B 100 -7.142 3.435 6.389 1.00 0.00 O ATOM 1384 CB LEU B 100 -8.860 6.060 5.707 1.00 0.00 C ATOM 1385 CG LEU B 100 -10.195 6.680 6.121 1.00 0.00 C ATOM 1386 CD1 LEU B 100 -10.908 7.264 4.911 1.00 0.00 C ATOM 1387 CD2 LEU B 100 -11.071 5.645 6.810 1.00 0.00 C ATOM 0 H LEU B 100 -6.783 7.386 6.793 1.00 0.00 H new ATOM 0 HA LEU B 100 -8.553 5.166 7.639 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -8.323 6.774 5.083 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -9.059 5.184 5.090 1.00 0.00 H new ATOM 0 HG LEU B 100 -9.998 7.487 6.826 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -11.856 7.701 5.223 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -10.285 8.035 4.458 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -11.095 6.475 4.183 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -12.017 6.103 7.098 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -11.262 4.817 6.127 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -10.563 5.272 7.699 1.00 0.00 H new ATOM 1399 N LEU B 101 -5.761 5.153 5.936 1.00 0.00 N ATOM 1400 CA LEU B 101 -4.687 4.299 5.440 1.00 0.00 C ATOM 1401 C LEU B 101 -4.315 3.232 6.465 1.00 0.00 C ATOM 1402 O LEU B 101 -3.975 2.104 6.106 1.00 0.00 O ATOM 1403 CB LEU B 101 -3.457 5.139 5.092 1.00 0.00 C ATOM 1404 CG LEU B 101 -2.995 6.098 6.192 1.00 0.00 C ATOM 1405 CD1 LEU B 101 -1.480 6.089 6.314 1.00 0.00 C ATOM 1406 CD2 LEU B 101 -3.501 7.507 5.916 1.00 0.00 C ATOM 0 H LEU B 101 -5.551 6.151 5.915 1.00 0.00 H new ATOM 0 HA LEU B 101 -5.045 3.800 4.540 1.00 0.00 H new ATOM 0 HB2 LEU B 101 -2.634 4.467 4.848 1.00 0.00 H new ATOM 0 HB3 LEU B 101 -3.673 5.718 4.194 1.00 0.00 H new ATOM 0 HG LEU B 101 -3.414 5.759 7.139 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -1.174 6.778 7.102 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -1.141 5.083 6.560 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -1.037 6.400 5.368 1.00 0.00 H new ATOM 0 HD21 LEU B 101 -3.164 8.176 6.707 1.00 0.00 H new ATOM 0 HD22 LEU B 101 -3.112 7.852 4.958 1.00 0.00 H new ATOM 0 HD23 LEU B 101 -4.591 7.503 5.884 1.00 0.00 H new ATOM 1418 N LYS B 102 -4.385 3.597 7.742 1.00 0.00 N ATOM 1419 CA LYS B 102 -4.059 2.672 8.819 1.00 0.00 C ATOM 1420 C LYS B 102 -5.099 1.560 8.916 1.00 0.00 C ATOM 1421 O LYS B 102 -4.779 0.424 9.268 1.00 0.00 O ATOM 1422 CB LYS B 102 -3.970 3.419 10.151 1.00 0.00 C ATOM 1423 CG LYS B 102 -2.968 2.816 11.122 1.00 0.00 C ATOM 1424 CD LYS B 102 -3.647 1.889 12.119 1.00 0.00 C ATOM 1425 CE LYS B 102 -3.090 2.074 13.522 1.00 0.00 C ATOM 1426 NZ LYS B 102 -2.978 0.780 14.249 1.00 0.00 N ATOM 0 H LYS B 102 -4.665 4.527 8.055 1.00 0.00 H new ATOM 0 HA LYS B 102 -3.092 2.222 8.596 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -3.697 4.457 9.958 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.955 3.430 10.618 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.210 2.263 10.568 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.453 3.614 11.657 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -4.720 2.082 12.124 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -3.511 0.854 11.806 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -2.108 2.544 13.464 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -3.735 2.751 14.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -2.595 0.949 15.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -3.919 0.343 14.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -2.342 0.143 13.728 1.00 0.00 H new ATOM 1440 N GLU B 103 -6.346 1.896 8.604 1.00 0.00 N ATOM 1441 CA GLU B 103 -7.437 0.930 8.657 1.00 0.00 C ATOM 1442 C GLU B 103 -7.307 -0.110 7.548 1.00 0.00 C ATOM 1443 O GLU B 103 -7.596 -1.289 7.752 1.00 0.00 O ATOM 1444 CB GLU B 103 -8.784 1.647 8.550 1.00 0.00 C ATOM 1445 CG GLU B 103 -9.754 1.286 9.663 1.00 0.00 C ATOM 1446 CD GLU B 103 -10.722 2.409 9.980 1.00 0.00 C ATOM 1447 OE1 GLU B 103 -11.427 2.864 9.054 1.00 0.00 O ATOM 1448 OE2 GLU B 103 -10.777 2.833 11.154 1.00 0.00 O ATOM 0 H GLU B 103 -6.627 2.832 8.311 1.00 0.00 H new ATOM 0 HA GLU B 103 -7.383 0.413 9.615 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -8.615 2.724 8.561 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -9.240 1.406 7.590 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -10.316 0.397 9.376 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -9.192 1.031 10.561 1.00 0.00 H new ATOM 1455 N VAL B 104 -6.875 0.336 6.373 1.00 0.00 N ATOM 1456 CA VAL B 104 -6.714 -0.559 5.231 1.00 0.00 C ATOM 1457 C VAL B 104 -5.532 -1.501 5.426 1.00 0.00 C ATOM 1458 O VAL B 104 -5.664 -2.715 5.275 1.00 0.00 O ATOM 1459 CB VAL B 104 -6.534 0.228 3.918 1.00 0.00 C ATOM 1460 CG1 VAL B 104 -6.497 -0.717 2.725 1.00 0.00 C ATOM 1461 CG2 VAL B 104 -7.648 1.250 3.758 1.00 0.00 C ATOM 0 H VAL B 104 -6.631 1.308 6.186 1.00 0.00 H new ATOM 0 HA VAL B 104 -7.628 -1.150 5.163 1.00 0.00 H new ATOM 0 HB VAL B 104 -5.582 0.757 3.961 1.00 0.00 H new ATOM 0 HG11 VAL B 104 -6.369 -0.141 1.808 1.00 0.00 H new ATOM 0 HG12 VAL B 104 -5.664 -1.411 2.836 1.00 0.00 H new ATOM 0 HG13 VAL B 104 -7.431 -1.276 2.675 1.00 0.00 H new ATOM 0 HG21 VAL B 104 -7.508 1.798 2.826 1.00 0.00 H new ATOM 0 HG22 VAL B 104 -8.610 0.739 3.737 1.00 0.00 H new ATOM 0 HG23 VAL B 104 -7.626 1.947 4.596 1.00 0.00 H new ATOM 1471 N LEU B 105 -4.380 -0.938 5.763 1.00 0.00 N ATOM 1472 CA LEU B 105 -3.180 -1.740 5.980 1.00 0.00 C ATOM 1473 C LEU B 105 -3.389 -2.716 7.133 1.00 0.00 C ATOM 1474 O LEU B 105 -2.864 -3.830 7.119 1.00 0.00 O ATOM 1475 CB LEU B 105 -1.969 -0.845 6.256 1.00 0.00 C ATOM 1476 CG LEU B 105 -2.151 0.178 7.376 1.00 0.00 C ATOM 1477 CD1 LEU B 105 -1.796 -0.439 8.721 1.00 0.00 C ATOM 1478 CD2 LEU B 105 -1.298 1.409 7.110 1.00 0.00 C ATOM 0 H LEU B 105 -4.249 0.065 5.892 1.00 0.00 H new ATOM 0 HA LEU B 105 -2.986 -2.310 5.071 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -1.118 -1.480 6.502 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -1.715 -0.313 5.339 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.197 0.482 7.404 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.931 0.303 9.508 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -2.445 -1.293 8.912 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.757 -0.769 8.707 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.438 2.129 7.916 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -0.248 1.120 7.059 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -1.596 1.861 6.164 1.00 0.00 H new ATOM 1490 N GLU B 106 -4.169 -2.295 8.123 1.00 0.00 N ATOM 1491 CA GLU B 106 -4.460 -3.138 9.277 1.00 0.00 C ATOM 1492 C GLU B 106 -5.437 -4.242 8.891 1.00 0.00 C ATOM 1493 O GLU B 106 -5.313 -5.385 9.333 1.00 0.00 O ATOM 1494 CB GLU B 106 -5.039 -2.300 10.418 1.00 0.00 C ATOM 1495 CG GLU B 106 -5.149 -3.055 11.733 1.00 0.00 C ATOM 1496 CD GLU B 106 -6.285 -2.552 12.602 1.00 0.00 C ATOM 1497 OE1 GLU B 106 -6.078 -1.559 13.331 1.00 0.00 O ATOM 1498 OE2 GLU B 106 -7.380 -3.148 12.551 1.00 0.00 O ATOM 0 H GLU B 106 -4.611 -1.376 8.150 1.00 0.00 H new ATOM 0 HA GLU B 106 -3.529 -3.593 9.616 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -4.413 -1.420 10.565 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -6.028 -1.943 10.130 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -5.296 -4.115 11.527 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -4.210 -2.963 12.280 1.00 0.00 H new ATOM 1505 N ASP B 107 -6.403 -3.889 8.052 1.00 0.00 N ATOM 1506 CA ASP B 107 -7.402 -4.843 7.588 1.00 0.00 C ATOM 1507 C ASP B 107 -6.760 -5.902 6.700 1.00 0.00 C ATOM 1508 O ASP B 107 -7.229 -7.037 6.634 1.00 0.00 O ATOM 1509 CB ASP B 107 -8.512 -4.122 6.823 1.00 0.00 C ATOM 1510 CG ASP B 107 -9.596 -3.591 7.741 1.00 0.00 C ATOM 1511 OD1 ASP B 107 -10.092 -4.366 8.586 1.00 0.00 O ATOM 1512 OD2 ASP B 107 -9.949 -2.399 7.616 1.00 0.00 O ATOM 0 H ASP B 107 -6.516 -2.947 7.678 1.00 0.00 H new ATOM 0 HA ASP B 107 -7.836 -5.334 8.459 1.00 0.00 H new ATOM 0 HB2 ASP B 107 -8.082 -3.296 6.257 1.00 0.00 H new ATOM 0 HB3 ASP B 107 -8.955 -4.807 6.100 1.00 0.00 H new ATOM 1517 N TYR B 108 -5.684 -5.523 6.016 1.00 0.00 N ATOM 1518 CA TYR B 108 -4.980 -6.443 5.131 1.00 0.00 C ATOM 1519 C TYR B 108 -4.177 -7.464 5.931 1.00 0.00 C ATOM 1520 O TYR B 108 -4.361 -8.673 5.783 1.00 0.00 O ATOM 1521 CB TYR B 108 -4.049 -5.666 4.196 1.00 0.00 C ATOM 1522 CG TYR B 108 -4.335 -5.887 2.730 1.00 0.00 C ATOM 1523 CD1 TYR B 108 -4.566 -7.161 2.230 1.00 0.00 C ATOM 1524 CD2 TYR B 108 -4.370 -4.819 1.842 1.00 0.00 C ATOM 1525 CE1 TYR B 108 -4.826 -7.366 0.889 1.00 0.00 C ATOM 1526 CE2 TYR B 108 -4.630 -5.014 0.500 1.00 0.00 C ATOM 1527 CZ TYR B 108 -4.857 -6.289 0.028 1.00 0.00 C ATOM 1528 OH TYR B 108 -5.115 -6.488 -1.308 1.00 0.00 O ATOM 0 H TYR B 108 -5.282 -4.587 6.058 1.00 0.00 H new ATOM 0 HA TYR B 108 -5.722 -6.977 4.538 1.00 0.00 H new ATOM 0 HB2 TYR B 108 -4.133 -4.602 4.417 1.00 0.00 H new ATOM 0 HB3 TYR B 108 -3.018 -5.954 4.403 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -4.542 -8.007 2.901 1.00 0.00 H new ATOM 0 HD2 TYR B 108 -4.191 -3.819 2.208 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -5.004 -8.364 0.517 1.00 0.00 H new ATOM 0 HE2 TYR B 108 -4.655 -4.172 -0.176 1.00 0.00 H new ATOM 0 HH TYR B 108 -5.251 -7.444 -1.476 1.00 0.00 H new ATOM 1538 N LEU B 109 -3.291 -6.967 6.787 1.00 0.00 N ATOM 1539 CA LEU B 109 -2.461 -7.838 7.611 1.00 0.00 C ATOM 1540 C LEU B 109 -3.322 -8.835 8.376 1.00 0.00 C ATOM 1541 O LEU B 109 -2.963 -10.004 8.513 1.00 0.00 O ATOM 1542 CB LEU B 109 -1.607 -7.019 8.580 1.00 0.00 C ATOM 1543 CG LEU B 109 -2.375 -6.023 9.448 1.00 0.00 C ATOM 1544 CD1 LEU B 109 -2.988 -6.725 10.653 1.00 0.00 C ATOM 1545 CD2 LEU B 109 -1.457 -4.894 9.895 1.00 0.00 C ATOM 0 H LEU B 109 -3.129 -5.970 6.928 1.00 0.00 H new ATOM 0 HA LEU B 109 -1.794 -8.392 6.950 1.00 0.00 H new ATOM 0 HB2 LEU B 109 -1.069 -7.706 9.234 1.00 0.00 H new ATOM 0 HB3 LEU B 109 -0.858 -6.473 8.006 1.00 0.00 H new ATOM 0 HG LEU B 109 -3.183 -5.597 8.854 1.00 0.00 H new ATOM 0 HD11 LEU B 109 -3.531 -6.000 11.259 1.00 0.00 H new ATOM 0 HD12 LEU B 109 -3.675 -7.500 10.312 1.00 0.00 H new ATOM 0 HD13 LEU B 109 -2.197 -7.178 11.251 1.00 0.00 H new ATOM 0 HD21 LEU B 109 -2.018 -4.192 10.512 1.00 0.00 H new ATOM 0 HD22 LEU B 109 -0.629 -5.305 10.473 1.00 0.00 H new ATOM 0 HD23 LEU B 109 -1.066 -4.375 9.020 1.00 0.00 H new ATOM 1557 N ARG B 110 -4.465 -8.367 8.863 1.00 0.00 N ATOM 1558 CA ARG B 110 -5.378 -9.227 9.601 1.00 0.00 C ATOM 1559 C ARG B 110 -6.155 -10.124 8.649 1.00 0.00 C ATOM 1560 O ARG B 110 -6.446 -11.277 8.967 1.00 0.00 O ATOM 1561 CB ARG B 110 -6.338 -8.395 10.457 1.00 0.00 C ATOM 1562 CG ARG B 110 -7.210 -7.448 9.651 1.00 0.00 C ATOM 1563 CD ARG B 110 -8.511 -8.112 9.228 1.00 0.00 C ATOM 1564 NE ARG B 110 -9.680 -7.415 9.760 1.00 0.00 N ATOM 1565 CZ ARG B 110 -10.935 -7.725 9.446 1.00 0.00 C ATOM 1566 NH1 ARG B 110 -11.190 -8.716 8.602 1.00 0.00 N ATOM 1567 NH2 ARG B 110 -11.938 -7.039 9.976 1.00 0.00 N ATOM 0 H ARG B 110 -4.779 -7.402 8.760 1.00 0.00 H new ATOM 0 HA ARG B 110 -4.787 -9.857 10.266 1.00 0.00 H new ATOM 0 HB2 ARG B 110 -6.978 -9.068 11.027 1.00 0.00 H new ATOM 0 HB3 ARG B 110 -5.760 -7.817 11.178 1.00 0.00 H new ATOM 0 HG2 ARG B 110 -7.429 -6.560 10.244 1.00 0.00 H new ATOM 0 HG3 ARG B 110 -6.666 -7.114 8.767 1.00 0.00 H new ATOM 0 HD2 ARG B 110 -8.568 -8.137 8.140 1.00 0.00 H new ATOM 0 HD3 ARG B 110 -8.518 -9.146 9.571 1.00 0.00 H new ATOM 0 HE ARG B 110 -9.524 -6.645 10.411 1.00 0.00 H new ATOM 0 HH11 ARG B 110 -10.422 -9.245 8.190 1.00 0.00 H new ATOM 0 HH12 ARG B 110 -12.154 -8.949 8.365 1.00 0.00 H new ATOM 0 HH21 ARG B 110 -11.747 -6.275 10.624 1.00 0.00 H new ATOM 0 HH22 ARG B 110 -12.901 -7.276 9.736 1.00 0.00 H new ATOM 1581 N LEU B 111 -6.472 -9.599 7.472 1.00 0.00 N ATOM 1582 CA LEU B 111 -7.195 -10.373 6.473 1.00 0.00 C ATOM 1583 C LEU B 111 -6.344 -11.547 6.000 1.00 0.00 C ATOM 1584 O LEU B 111 -6.856 -12.500 5.410 1.00 0.00 O ATOM 1585 CB LEU B 111 -7.587 -9.492 5.284 1.00 0.00 C ATOM 1586 CG LEU B 111 -9.009 -8.929 5.341 1.00 0.00 C ATOM 1587 CD1 LEU B 111 -9.171 -7.787 4.350 1.00 0.00 C ATOM 1588 CD2 LEU B 111 -10.025 -10.025 5.063 1.00 0.00 C ATOM 0 H LEU B 111 -6.241 -8.647 7.188 1.00 0.00 H new ATOM 0 HA LEU B 111 -8.106 -10.758 6.930 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -6.885 -8.661 5.219 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -7.478 -10.073 4.368 1.00 0.00 H new ATOM 0 HG LEU B 111 -9.186 -8.540 6.344 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -10.188 -7.399 4.405 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -8.466 -6.992 4.593 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -8.975 -8.150 3.341 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -11.031 -9.608 5.107 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -9.848 -10.442 4.072 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -9.925 -10.812 5.811 1.00 0.00 H new ATOM 1600 N LYS B 112 -5.038 -11.478 6.267 1.00 0.00 N ATOM 1601 CA LYS B 112 -4.123 -12.541 5.869 1.00 0.00 C ATOM 1602 C LYS B 112 -3.829 -13.466 7.044 1.00 0.00 C ATOM 1603 O LYS B 112 -3.765 -14.686 6.886 1.00 0.00 O ATOM 1604 CB LYS B 112 -2.816 -11.954 5.331 1.00 0.00 C ATOM 1605 CG LYS B 112 -3.002 -11.014 4.151 1.00 0.00 C ATOM 1606 CD LYS B 112 -3.833 -11.649 3.048 1.00 0.00 C ATOM 1607 CE LYS B 112 -3.055 -12.732 2.317 1.00 0.00 C ATOM 1608 NZ LYS B 112 -3.693 -13.098 1.023 1.00 0.00 N ATOM 0 H LYS B 112 -4.595 -10.699 6.755 1.00 0.00 H new ATOM 0 HA LYS B 112 -4.602 -13.119 5.078 1.00 0.00 H new ATOM 0 HB2 LYS B 112 -2.313 -11.417 6.135 1.00 0.00 H new ATOM 0 HB3 LYS B 112 -2.158 -12.770 5.032 1.00 0.00 H new ATOM 0 HG2 LYS B 112 -3.486 -10.098 4.489 1.00 0.00 H new ATOM 0 HG3 LYS B 112 -2.027 -10.731 3.754 1.00 0.00 H new ATOM 0 HD2 LYS B 112 -4.740 -12.077 3.475 1.00 0.00 H new ATOM 0 HD3 LYS B 112 -4.145 -10.882 2.339 1.00 0.00 H new ATOM 0 HE2 LYS B 112 -2.037 -12.387 2.135 1.00 0.00 H new ATOM 0 HE3 LYS B 112 -2.984 -13.617 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 -3.132 -13.839 0.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 -4.655 -13.451 1.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 -3.738 -12.260 0.409 1.00 0.00 H new ATOM 1622 N LYS B 113 -3.655 -12.878 8.220 1.00 0.00 N ATOM 1623 CA LYS B 113 -3.368 -13.644 9.425 1.00 0.00 C ATOM 1624 C LYS B 113 -4.057 -13.027 10.639 1.00 0.00 C ATOM 1625 O LYS B 113 -3.885 -11.811 10.860 1.00 0.00 O ATOM 1626 CB LYS B 113 -1.859 -13.715 9.663 1.00 0.00 C ATOM 1627 CG LYS B 113 -1.136 -14.655 8.712 1.00 0.00 C ATOM 1628 CD LYS B 113 -0.899 -16.017 9.345 1.00 0.00 C ATOM 1629 CE LYS B 113 -2.098 -16.935 9.165 1.00 0.00 C ATOM 1630 NZ LYS B 113 -1.746 -18.170 8.412 1.00 0.00 N ATOM 1631 OXT LYS B 113 -4.762 -13.767 11.355 1.00 0.00 O ATOM 0 H LYS B 113 -3.708 -11.870 8.365 1.00 0.00 H new ATOM 0 HA LYS B 113 -3.754 -14.653 9.284 1.00 0.00 H new ATOM 0 HB2 LYS B 113 -1.437 -12.715 9.563 1.00 0.00 H new ATOM 0 HB3 LYS B 113 -1.676 -14.037 10.688 1.00 0.00 H new ATOM 0 HG2 LYS B 113 -1.722 -14.774 7.801 1.00 0.00 H new ATOM 0 HG3 LYS B 113 -0.181 -14.217 8.422 1.00 0.00 H new ATOM 0 HD2 LYS B 113 -0.017 -16.478 8.899 1.00 0.00 H new ATOM 0 HD3 LYS B 113 -0.691 -15.894 10.408 1.00 0.00 H new ATOM 0 HE2 LYS B 113 -2.496 -17.207 10.142 1.00 0.00 H new ATOM 0 HE3 LYS B 113 -2.888 -16.401 8.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 113 -2.591 -18.768 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 113 -1.390 -17.912 7.469 1.00 0.00 H new ATOM 0 HZ3 LYS B 113 -1.011 -18.694 8.928 1.00 0.00 H new TER 1645 LYS B 113