USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 666 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.48) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 33 CYS SG : rot 180:sc= -2.44! USER MOD Single : A 34 SER OG : rot 170:sc= -0.413 USER MOD Single : A 38 THR OG1 : rot -13:sc= 0.987 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.31 K(o=-3.3,f=-5.3!) USER MOD Single : A 50 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.6!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 48:sc= 0.87 USER MOD Single : A 58 THR OG1 : rot 24:sc= 0.364 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.685 K(o=-0.69,f=-0.17) USER MOD Single : A 69 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.75) USER MOD Single : A 76 HIS : no HE2:sc= -0.708 K(o=-0.71,f=-3.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 110:sc= 1.39 USER MOD Single : A 85 ASN : amide:sc= -5.77! C(o=-5.8!,f=-24!) USER MOD Single : A 89 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -108:sc= 0.285 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= -2.06! C(o=-2.1!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 18.563 -0.089 0.483 1.00 0.00 N ATOM 84 CA GLU A 9 17.190 -0.494 0.206 1.00 0.00 C ATOM 85 C GLU A 9 16.690 -1.478 1.261 1.00 0.00 C ATOM 86 O GLU A 9 17.479 -2.081 1.988 1.00 0.00 O ATOM 87 CB GLU A 9 17.091 -1.127 -1.184 1.00 0.00 C ATOM 88 CG GLU A 9 17.296 -0.137 -2.319 1.00 0.00 C ATOM 89 CD GLU A 9 17.796 -0.800 -3.587 1.00 0.00 C ATOM 90 OE1 GLU A 9 16.956 -1.289 -4.372 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.027 -0.830 -3.796 1.00 0.00 O ATOM 0 HA GLU A 9 16.563 0.397 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.834 -1.921 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.112 -1.594 -1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.355 0.372 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.009 0.626 -2.007 1.00 0.00 H new ATOM 98 N VAL A 10 15.372 -1.633 1.338 1.00 0.00 N ATOM 99 CA VAL A 10 14.765 -2.543 2.303 1.00 0.00 C ATOM 100 C VAL A 10 13.657 -3.368 1.659 1.00 0.00 C ATOM 101 O VAL A 10 13.233 -3.089 0.538 1.00 0.00 O ATOM 102 CB VAL A 10 14.186 -1.778 3.508 1.00 0.00 C ATOM 103 CG1 VAL A 10 15.301 -1.330 4.442 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.363 -0.589 3.038 1.00 0.00 C ATOM 0 H VAL A 10 14.704 -1.141 0.744 1.00 0.00 H new ATOM 0 HA VAL A 10 15.555 -3.209 2.650 1.00 0.00 H new ATOM 0 HB VAL A 10 13.529 -2.449 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.873 -0.791 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.844 -2.203 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.986 -0.675 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.962 -0.060 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.995 0.086 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.541 -0.939 2.413 1.00 0.00 H new ATOM 114 N ALA A 11 13.191 -4.386 2.375 1.00 0.00 N ATOM 115 CA ALA A 11 12.130 -5.250 1.875 1.00 0.00 C ATOM 116 C ALA A 11 10.755 -4.695 2.231 1.00 0.00 C ATOM 117 O ALA A 11 10.589 -3.962 3.206 1.00 0.00 O ATOM 118 CB ALA A 11 12.292 -6.659 2.427 1.00 0.00 C ATOM 0 H ALA A 11 13.532 -4.632 3.304 1.00 0.00 H new ATOM 0 HA ALA A 11 12.207 -5.286 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.492 -7.294 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.256 -7.063 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.244 -6.631 3.516 1.00 0.00 H new ATOM 124 N PRO A 12 9.745 -5.050 1.424 1.00 0.00 N ATOM 125 CA PRO A 12 8.367 -4.598 1.634 1.00 0.00 C ATOM 126 C PRO A 12 7.732 -5.229 2.869 1.00 0.00 C ATOM 127 O PRO A 12 8.117 -6.321 3.287 1.00 0.00 O ATOM 128 CB PRO A 12 7.644 -5.059 0.366 1.00 0.00 C ATOM 129 CG PRO A 12 8.443 -6.217 -0.125 1.00 0.00 C ATOM 130 CD PRO A 12 9.870 -5.921 0.243 1.00 0.00 C ATOM 0 HA PRO A 12 8.313 -3.523 1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.616 -5.350 0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.602 -4.263 -0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.106 -7.146 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.335 -6.337 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.423 -6.832 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.399 -5.423 -0.569 1.00 0.00 H new ATOM 138 N SER A 13 6.756 -4.536 3.447 1.00 0.00 N ATOM 139 CA SER A 13 6.070 -5.027 4.636 1.00 0.00 C ATOM 140 C SER A 13 4.847 -4.170 4.951 1.00 0.00 C ATOM 141 O SER A 13 4.817 -2.977 4.650 1.00 0.00 O ATOM 142 CB SER A 13 7.022 -5.037 5.833 1.00 0.00 C ATOM 143 OG SER A 13 7.621 -3.766 6.019 1.00 0.00 O ATOM 0 H SER A 13 6.423 -3.633 3.111 1.00 0.00 H new ATOM 0 HA SER A 13 5.737 -6.046 4.438 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.477 -5.321 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.796 -5.789 5.679 1.00 0.00 H new ATOM 0 HG SER A 13 8.224 -3.798 6.791 1.00 0.00 H new ATOM 149 N PHE A 14 3.841 -4.788 5.559 1.00 0.00 N ATOM 150 CA PHE A 14 2.614 -4.084 5.915 1.00 0.00 C ATOM 151 C PHE A 14 2.576 -3.779 7.410 1.00 0.00 C ATOM 152 O PHE A 14 2.376 -4.674 8.231 1.00 0.00 O ATOM 153 CB PHE A 14 1.391 -4.915 5.521 1.00 0.00 C ATOM 154 CG PHE A 14 1.114 -4.910 4.045 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.618 -3.775 3.423 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.349 -6.040 3.279 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.362 -3.768 2.065 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.094 -6.040 1.920 1.00 0.00 C ATOM 159 CZ PHE A 14 0.601 -4.902 1.312 1.00 0.00 C ATOM 0 H PHE A 14 3.850 -5.775 5.816 1.00 0.00 H new ATOM 0 HA PHE A 14 2.595 -3.141 5.369 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.538 -5.943 5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.517 -4.533 6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.429 -2.886 4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.736 -6.932 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.025 -2.877 1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.280 -6.928 1.335 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.403 -4.898 0.250 1.00 0.00 H new ATOM 169 N SER A 15 2.770 -2.510 7.754 1.00 0.00 N ATOM 170 CA SER A 15 2.762 -2.087 9.149 1.00 0.00 C ATOM 171 C SER A 15 1.360 -2.191 9.741 1.00 0.00 C ATOM 172 O SER A 15 1.183 -2.642 10.872 1.00 0.00 O ATOM 173 CB SER A 15 3.274 -0.650 9.271 1.00 0.00 C ATOM 174 OG SER A 15 3.841 -0.418 10.549 1.00 0.00 O ATOM 0 H SER A 15 2.935 -1.757 7.086 1.00 0.00 H new ATOM 0 HA SER A 15 3.423 -2.750 9.707 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.019 -0.459 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.454 0.047 9.101 1.00 0.00 H new ATOM 0 HG SER A 15 4.162 0.506 10.601 1.00 0.00 H new ATOM 180 N SER A 16 0.365 -1.770 8.966 1.00 0.00 N ATOM 181 CA SER A 16 -1.022 -1.811 9.414 1.00 0.00 C ATOM 182 C SER A 16 -1.929 -2.367 8.320 1.00 0.00 C ATOM 183 O SER A 16 -2.300 -1.657 7.385 1.00 0.00 O ATOM 184 CB SER A 16 -1.492 -0.412 9.819 1.00 0.00 C ATOM 185 OG SER A 16 -2.525 -0.482 10.787 1.00 0.00 O ATOM 0 H SER A 16 0.494 -1.397 8.025 1.00 0.00 H new ATOM 0 HA SER A 16 -1.079 -2.470 10.280 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.652 0.156 10.219 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.849 0.124 8.940 1.00 0.00 H new ATOM 0 HG SER A 16 -2.807 0.424 11.031 1.00 0.00 H new ATOM 191 N VAL A 17 -2.283 -3.642 8.445 1.00 0.00 N ATOM 192 CA VAL A 17 -3.148 -4.295 7.469 1.00 0.00 C ATOM 193 C VAL A 17 -4.566 -3.740 7.533 1.00 0.00 C ATOM 194 O VAL A 17 -4.960 -3.125 8.525 1.00 0.00 O ATOM 195 CB VAL A 17 -3.194 -5.818 7.690 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.827 -6.437 7.437 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.681 -6.138 9.095 1.00 0.00 C ATOM 0 H VAL A 17 -1.984 -4.244 9.213 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.725 -4.091 6.485 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.898 -6.249 6.979 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.880 -7.514 7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.522 -6.238 6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.099 -6.003 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.707 -7.219 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.003 -5.695 9.825 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.682 -5.730 9.235 1.00 0.00 H new ATOM 207 N LEU A 18 -5.330 -3.961 6.469 1.00 0.00 N ATOM 208 CA LEU A 18 -6.707 -3.483 6.404 1.00 0.00 C ATOM 209 C LEU A 18 -7.592 -4.235 7.392 1.00 0.00 C ATOM 210 O LEU A 18 -7.350 -5.404 7.695 1.00 0.00 O ATOM 211 CB LEU A 18 -7.257 -3.644 4.985 1.00 0.00 C ATOM 212 CG LEU A 18 -6.497 -2.905 3.883 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.623 -3.644 2.560 1.00 0.00 C ATOM 214 CD2 LEU A 18 -7.006 -1.477 3.750 1.00 0.00 C ATOM 0 H LEU A 18 -5.020 -4.468 5.640 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.712 -2.426 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.270 -4.706 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.292 -3.302 4.977 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.442 -2.869 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.076 -3.103 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.209 -4.647 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.674 -3.712 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.454 -0.966 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.067 -1.491 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.862 -0.950 4.693 1.00 0.00 H new ATOM 226 N LYS A 19 -8.620 -3.558 7.892 1.00 0.00 N ATOM 227 CA LYS A 19 -9.545 -4.162 8.844 1.00 0.00 C ATOM 228 C LYS A 19 -10.986 -4.030 8.362 1.00 0.00 C ATOM 229 O LYS A 19 -11.280 -3.241 7.464 1.00 0.00 O ATOM 230 CB LYS A 19 -9.393 -3.507 10.219 1.00 0.00 C ATOM 231 CG LYS A 19 -8.072 -3.821 10.900 1.00 0.00 C ATOM 232 CD LYS A 19 -8.155 -5.101 11.714 1.00 0.00 C ATOM 233 CE LYS A 19 -6.775 -5.689 11.969 1.00 0.00 C ATOM 234 NZ LYS A 19 -6.124 -5.081 13.162 1.00 0.00 N ATOM 0 H LYS A 19 -8.834 -2.590 7.654 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.304 -5.222 8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.488 -2.427 10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.210 -3.836 10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.288 -3.917 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.791 -2.993 11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.647 -4.897 12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.771 -5.830 11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.860 -6.766 12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.146 -5.532 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.186 -5.509 13.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.019 -4.057 13.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.711 -5.253 14.003 1.00 0.00 H new ATOM 248 N ASP A 20 -11.880 -4.804 8.966 1.00 0.00 N ATOM 249 CA ASP A 20 -13.292 -4.771 8.600 1.00 0.00 C ATOM 250 C ASP A 20 -13.727 -3.354 8.242 1.00 0.00 C ATOM 251 O ASP A 20 -13.176 -2.377 8.752 1.00 0.00 O ATOM 252 CB ASP A 20 -14.150 -5.308 9.746 1.00 0.00 C ATOM 253 CG ASP A 20 -15.635 -5.184 9.464 1.00 0.00 C ATOM 254 OD1 ASP A 20 -16.213 -4.125 9.786 1.00 0.00 O ATOM 255 OD2 ASP A 20 -16.218 -6.147 8.923 1.00 0.00 O ATOM 0 H ASP A 20 -11.653 -5.462 9.711 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.431 -5.406 7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.903 -6.355 9.922 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.910 -4.766 10.661 1.00 0.00 H new ATOM 260 N CYS A 21 -14.717 -3.249 7.362 1.00 0.00 N ATOM 261 CA CYS A 21 -15.225 -1.951 6.934 1.00 0.00 C ATOM 262 C CYS A 21 -16.658 -2.069 6.424 1.00 0.00 C ATOM 263 O CYS A 21 -17.048 -3.097 5.872 1.00 0.00 O ATOM 264 CB CYS A 21 -14.329 -1.364 5.842 1.00 0.00 C ATOM 265 SG CYS A 21 -14.547 0.412 5.584 1.00 0.00 S ATOM 0 H CYS A 21 -15.184 -4.047 6.931 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.219 -1.284 7.796 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.287 -1.558 6.098 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.529 -1.884 4.905 1.00 0.00 H new ATOM 0 HG CYS A 21 -13.745 0.816 4.644 1.00 0.00 H new ATOM 271 N ALA A 22 -17.438 -1.010 6.616 1.00 0.00 N ATOM 272 CA ALA A 22 -18.827 -0.995 6.175 1.00 0.00 C ATOM 273 C ALA A 22 -19.158 0.303 5.447 1.00 0.00 C ATOM 274 O ALA A 22 -18.618 1.362 5.768 1.00 0.00 O ATOM 275 CB ALA A 22 -19.759 -1.188 7.362 1.00 0.00 C ATOM 0 H ALA A 22 -17.131 -0.152 7.074 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.969 -1.819 5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.793 -1.175 7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.547 -2.145 7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.605 -0.383 8.080 1.00 0.00 H new ATOM 281 N VAL A 23 -20.048 0.215 4.463 1.00 0.00 N ATOM 282 CA VAL A 23 -20.451 1.382 3.689 1.00 0.00 C ATOM 283 C VAL A 23 -21.850 1.203 3.111 1.00 0.00 C ATOM 284 O VAL A 23 -22.249 0.092 2.759 1.00 0.00 O ATOM 285 CB VAL A 23 -19.465 1.661 2.539 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.609 0.613 1.446 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.680 3.059 1.980 1.00 0.00 C ATOM 0 H VAL A 23 -20.504 -0.654 4.183 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.450 2.230 4.373 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.450 1.604 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.905 0.827 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.400 -0.374 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.625 0.635 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -18.975 3.239 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.699 3.147 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.521 3.795 2.769 1.00 0.00 H new ATOM 297 N ILE A 24 -22.591 2.302 3.017 1.00 0.00 N ATOM 298 CA ILE A 24 -23.946 2.266 2.481 1.00 0.00 C ATOM 299 C ILE A 24 -23.937 2.356 0.958 1.00 0.00 C ATOM 300 O ILE A 24 -23.048 2.970 0.369 1.00 0.00 O ATOM 301 CB ILE A 24 -24.806 3.411 3.047 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.057 3.198 4.541 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.123 3.508 2.291 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.616 4.419 5.239 1.00 0.00 C ATOM 0 H ILE A 24 -22.276 3.228 3.305 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.380 1.313 2.784 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.266 4.349 2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -25.750 2.366 4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -24.122 2.911 5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.720 4.322 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -25.924 3.701 1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.670 2.570 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.769 4.196 6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -24.914 5.247 5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -26.568 4.694 4.784 1.00 0.00 H new ATOM 316 N GLU A 25 -24.933 1.742 0.329 1.00 0.00 N ATOM 317 CA GLU A 25 -25.040 1.754 -1.125 1.00 0.00 C ATOM 318 C GLU A 25 -25.035 3.184 -1.659 1.00 0.00 C ATOM 319 O GLU A 25 -25.918 3.980 -1.343 1.00 0.00 O ATOM 320 CB GLU A 25 -26.316 1.037 -1.572 1.00 0.00 C ATOM 321 CG GLU A 25 -26.458 0.930 -3.081 1.00 0.00 C ATOM 322 CD GLU A 25 -27.827 0.433 -3.504 1.00 0.00 C ATOM 323 OE1 GLU A 25 -28.553 -0.111 -2.646 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.172 0.590 -4.694 1.00 0.00 O ATOM 0 H GLU A 25 -25.677 1.230 0.803 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.175 1.229 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.329 0.035 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.180 1.567 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.275 1.907 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -25.695 0.254 -3.467 1.00 0.00 H new ATOM 331 N GLY A 26 -24.031 3.503 -2.471 1.00 0.00 N ATOM 332 CA GLY A 26 -23.928 4.836 -3.035 1.00 0.00 C ATOM 333 C GLY A 26 -22.857 5.670 -2.361 1.00 0.00 C ATOM 334 O GLY A 26 -22.218 6.505 -3.000 1.00 0.00 O ATOM 0 H GLY A 26 -23.288 2.862 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -23.709 4.760 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -24.889 5.341 -2.943 1.00 0.00 H new ATOM 338 N GLN A 27 -22.662 5.444 -1.065 1.00 0.00 N ATOM 339 CA GLN A 27 -21.662 6.184 -0.304 1.00 0.00 C ATOM 340 C GLN A 27 -20.274 6.004 -0.910 1.00 0.00 C ATOM 341 O GLN A 27 -20.109 5.310 -1.913 1.00 0.00 O ATOM 342 CB GLN A 27 -21.658 5.724 1.155 1.00 0.00 C ATOM 343 CG GLN A 27 -22.667 6.455 2.025 1.00 0.00 C ATOM 344 CD GLN A 27 -22.524 7.962 1.945 1.00 0.00 C ATOM 345 OE1 GLN A 27 -21.589 8.539 2.502 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.451 8.609 1.249 1.00 0.00 N ATOM 0 H GLN A 27 -23.182 4.756 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 27 -21.921 7.242 -0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.867 4.655 1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.661 5.868 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.675 6.173 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.546 6.137 3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.208 8.091 0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.406 9.624 1.160 1.00 0.00 H new ATOM 355 N ASP A 28 -19.279 6.633 -0.294 1.00 0.00 N ATOM 356 CA ASP A 28 -17.904 6.542 -0.772 1.00 0.00 C ATOM 357 C ASP A 28 -16.941 6.298 0.386 1.00 0.00 C ATOM 358 O ASP A 28 -16.852 7.104 1.313 1.00 0.00 O ATOM 359 CB ASP A 28 -17.514 7.820 -1.515 1.00 0.00 C ATOM 360 CG ASP A 28 -18.012 9.070 -0.817 1.00 0.00 C ATOM 361 OD1 ASP A 28 -17.628 9.290 0.350 1.00 0.00 O ATOM 362 OD2 ASP A 28 -18.786 9.829 -1.439 1.00 0.00 O ATOM 0 H ASP A 28 -19.399 7.211 0.537 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.839 5.698 -1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.429 7.867 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.919 7.787 -2.527 1.00 0.00 H new ATOM 367 N PHE A 29 -16.223 5.181 0.327 1.00 0.00 N ATOM 368 CA PHE A 29 -15.269 4.830 1.372 1.00 0.00 C ATOM 369 C PHE A 29 -13.856 4.728 0.805 1.00 0.00 C ATOM 370 O PHE A 29 -13.663 4.338 -0.346 1.00 0.00 O ATOM 371 CB PHE A 29 -15.664 3.506 2.030 1.00 0.00 C ATOM 372 CG PHE A 29 -15.494 2.316 1.130 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.263 1.693 1.009 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.566 1.820 0.406 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.104 0.598 0.180 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.413 0.724 -0.423 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.181 0.112 -0.535 1.00 0.00 C ATOM 0 H PHE A 29 -16.284 4.504 -0.433 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.284 5.619 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.063 3.362 2.928 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.704 3.564 2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.418 2.067 1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.532 2.295 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.138 0.123 0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.257 0.347 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.059 -0.745 -1.181 1.00 0.00 H new ATOM 387 N VAL A 30 -12.869 5.081 1.624 1.00 0.00 N ATOM 388 CA VAL A 30 -11.473 5.029 1.205 1.00 0.00 C ATOM 389 C VAL A 30 -10.665 4.098 2.102 1.00 0.00 C ATOM 390 O VAL A 30 -10.461 4.379 3.284 1.00 0.00 O ATOM 391 CB VAL A 30 -10.829 6.428 1.223 1.00 0.00 C ATOM 392 CG1 VAL A 30 -9.342 6.335 0.918 1.00 0.00 C ATOM 393 CG2 VAL A 30 -11.528 7.348 0.234 1.00 0.00 C ATOM 0 H VAL A 30 -13.011 5.406 2.581 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.463 4.646 0.185 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.945 6.850 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.904 7.333 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.855 5.712 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.200 5.893 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.060 8.332 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.445 6.933 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.580 7.439 0.503 1.00 0.00 H new ATOM 403 N LEU A 31 -10.207 2.988 1.534 1.00 0.00 N ATOM 404 CA LEU A 31 -9.419 2.014 2.282 1.00 0.00 C ATOM 405 C LEU A 31 -7.994 2.515 2.495 1.00 0.00 C ATOM 406 O LEU A 31 -7.189 2.534 1.565 1.00 0.00 O ATOM 407 CB LEU A 31 -9.397 0.674 1.546 1.00 0.00 C ATOM 408 CG LEU A 31 -10.760 0.039 1.265 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.677 -0.896 0.068 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.265 -0.705 2.492 1.00 0.00 C ATOM 0 H LEU A 31 -10.368 2.740 0.558 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.885 1.877 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.881 0.813 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.805 -0.029 2.131 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.468 0.834 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.656 -1.338 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.361 -0.334 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.955 -1.686 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.236 -1.150 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.557 -1.490 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.364 -0.008 3.325 1.00 0.00 H new ATOM 422 N GLN A 32 -7.691 2.915 3.725 1.00 0.00 N ATOM 423 CA GLN A 32 -6.362 3.414 4.060 1.00 0.00 C ATOM 424 C GLN A 32 -5.584 2.386 4.875 1.00 0.00 C ATOM 425 O GLN A 32 -6.102 1.824 5.840 1.00 0.00 O ATOM 426 CB GLN A 32 -6.468 4.726 4.839 1.00 0.00 C ATOM 427 CG GLN A 32 -5.120 5.341 5.180 1.00 0.00 C ATOM 428 CD GLN A 32 -5.160 6.166 6.451 1.00 0.00 C ATOM 429 OE1 GLN A 32 -5.410 5.642 7.538 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.913 7.464 6.323 1.00 0.00 N ATOM 0 H GLN A 32 -8.347 2.904 4.506 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.824 3.595 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.047 5.441 4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.021 4.548 5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.380 4.548 5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.792 5.971 4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.710 7.856 5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.926 8.069 7.144 1.00 0.00 H new ATOM 439 N CYS A 33 -4.339 2.144 4.479 1.00 0.00 N ATOM 440 CA CYS A 33 -3.490 1.182 5.172 1.00 0.00 C ATOM 441 C CYS A 33 -2.057 1.695 5.273 1.00 0.00 C ATOM 442 O CYS A 33 -1.733 2.767 4.760 1.00 0.00 O ATOM 443 CB CYS A 33 -3.513 -0.164 4.448 1.00 0.00 C ATOM 444 SG CYS A 33 -2.621 -0.171 2.875 1.00 0.00 S ATOM 0 H CYS A 33 -3.896 2.601 3.682 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.881 1.050 6.181 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.082 -0.923 5.101 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.549 -0.450 4.267 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.696 -1.353 2.339 1.00 0.00 H new ATOM 450 N SER A 34 -1.203 0.924 5.938 1.00 0.00 N ATOM 451 CA SER A 34 0.194 1.303 6.111 1.00 0.00 C ATOM 452 C SER A 34 1.121 0.251 5.510 1.00 0.00 C ATOM 453 O SER A 34 1.028 -0.933 5.834 1.00 0.00 O ATOM 454 CB SER A 34 0.514 1.492 7.596 1.00 0.00 C ATOM 455 OG SER A 34 1.858 1.901 7.780 1.00 0.00 O ATOM 0 H SER A 34 -1.454 0.033 6.366 1.00 0.00 H new ATOM 0 HA SER A 34 0.356 2.246 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.158 2.236 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.338 0.559 8.131 1.00 0.00 H new ATOM 0 HG SER A 34 1.993 2.170 8.713 1.00 0.00 H new ATOM 461 N VAL A 35 2.016 0.692 4.632 1.00 0.00 N ATOM 462 CA VAL A 35 2.961 -0.210 3.985 1.00 0.00 C ATOM 463 C VAL A 35 4.334 0.439 3.846 1.00 0.00 C ATOM 464 O VAL A 35 4.449 1.584 3.408 1.00 0.00 O ATOM 465 CB VAL A 35 2.465 -0.638 2.591 1.00 0.00 C ATOM 466 CG1 VAL A 35 1.913 0.558 1.830 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.585 -1.306 1.809 1.00 0.00 C ATOM 0 H VAL A 35 2.106 1.669 4.352 1.00 0.00 H new ATOM 0 HA VAL A 35 3.041 -1.092 4.621 1.00 0.00 H new ATOM 0 HB VAL A 35 1.660 -1.361 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.567 0.236 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.079 0.989 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.696 1.307 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.217 -1.602 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.413 -0.607 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.929 -2.188 2.348 1.00 0.00 H new ATOM 477 N ARG A 36 5.372 -0.300 4.223 1.00 0.00 N ATOM 478 CA ARG A 36 6.738 0.204 4.142 1.00 0.00 C ATOM 479 C ARG A 36 7.555 -0.600 3.135 1.00 0.00 C ATOM 480 O ARG A 36 7.128 -1.660 2.679 1.00 0.00 O ATOM 481 CB ARG A 36 7.407 0.151 5.517 1.00 0.00 C ATOM 482 CG ARG A 36 6.733 1.032 6.556 1.00 0.00 C ATOM 483 CD ARG A 36 7.484 1.007 7.878 1.00 0.00 C ATOM 484 NE ARG A 36 8.843 1.526 7.746 1.00 0.00 N ATOM 485 CZ ARG A 36 9.877 0.786 7.361 1.00 0.00 C ATOM 486 NH1 ARG A 36 9.709 -0.497 7.073 1.00 0.00 N ATOM 487 NH2 ARG A 36 11.084 1.331 7.264 1.00 0.00 N ATOM 0 H ARG A 36 5.293 -1.249 4.587 1.00 0.00 H new ATOM 0 HA ARG A 36 6.697 1.240 3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.408 -0.880 5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.449 0.454 5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.678 2.056 6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.708 0.694 6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.940 1.598 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.521 -0.015 8.254 1.00 0.00 H new ATOM 0 HE ARG A 36 9.007 2.510 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.783 -0.919 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.505 -1.062 6.778 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.217 2.318 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.878 0.763 6.968 1.00 0.00 H new ATOM 501 N GLY A 37 8.733 -0.088 2.792 1.00 0.00 N ATOM 502 CA GLY A 37 9.591 -0.771 1.842 1.00 0.00 C ATOM 503 C GLY A 37 10.436 0.190 1.029 1.00 0.00 C ATOM 504 O GLY A 37 10.184 1.395 1.018 1.00 0.00 O ATOM 0 H GLY A 37 9.108 0.788 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.244 -1.461 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.978 -1.370 1.169 1.00 0.00 H new ATOM 508 N THR A 38 11.444 -0.343 0.345 1.00 0.00 N ATOM 509 CA THR A 38 12.330 0.475 -0.472 1.00 0.00 C ATOM 510 C THR A 38 13.087 -0.377 -1.485 1.00 0.00 C ATOM 511 O THR A 38 13.785 -1.329 -1.134 1.00 0.00 O ATOM 512 CB THR A 38 13.345 1.243 0.395 1.00 0.00 C ATOM 513 OG1 THR A 38 12.658 2.143 1.272 1.00 0.00 O ATOM 514 CG2 THR A 38 14.322 2.020 -0.474 1.00 0.00 C ATOM 0 H THR A 38 11.667 -1.338 0.341 1.00 0.00 H new ATOM 0 HA THR A 38 11.700 1.190 -1.001 1.00 0.00 H new ATOM 0 HB THR A 38 13.906 0.519 0.985 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.723 2.226 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.029 2.554 0.161 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.864 1.329 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.774 2.735 -1.088 1.00 0.00 H new ATOM 522 N PRO A 39 12.948 -0.030 -2.773 1.00 0.00 N ATOM 523 CA PRO A 39 12.120 1.101 -3.203 1.00 0.00 C ATOM 524 C PRO A 39 10.631 0.834 -3.013 1.00 0.00 C ATOM 525 O PRO A 39 10.221 -0.298 -2.756 1.00 0.00 O ATOM 526 CB PRO A 39 12.453 1.239 -4.691 1.00 0.00 C ATOM 527 CG PRO A 39 12.901 -0.120 -5.107 1.00 0.00 C ATOM 528 CD PRO A 39 13.589 -0.714 -3.909 1.00 0.00 C ATOM 0 HA PRO A 39 12.324 2.000 -2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.583 1.561 -5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.235 1.981 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.054 -0.733 -5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.579 -0.064 -5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.448 -1.794 -3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.664 -0.533 -3.932 1.00 0.00 H new ATOM 536 N VAL A 40 9.825 1.883 -3.143 1.00 0.00 N ATOM 537 CA VAL A 40 8.380 1.761 -2.987 1.00 0.00 C ATOM 538 C VAL A 40 7.839 0.582 -3.788 1.00 0.00 C ATOM 539 O VAL A 40 8.016 0.491 -5.003 1.00 0.00 O ATOM 540 CB VAL A 40 7.658 3.046 -3.434 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.150 2.870 -3.340 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.117 4.233 -2.600 1.00 0.00 C ATOM 0 H VAL A 40 10.148 2.827 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 40 8.188 1.595 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 40 7.914 3.243 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.656 3.788 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.839 2.047 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.873 2.649 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.597 5.132 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.892 4.048 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.191 4.370 -2.723 1.00 0.00 H new ATOM 552 N PRO A 41 7.162 -0.344 -3.092 1.00 0.00 N ATOM 553 CA PRO A 41 6.579 -1.534 -3.718 1.00 0.00 C ATOM 554 C PRO A 41 5.392 -1.196 -4.613 1.00 0.00 C ATOM 555 O PRO A 41 4.758 -0.153 -4.452 1.00 0.00 O ATOM 556 CB PRO A 41 6.126 -2.377 -2.524 1.00 0.00 C ATOM 557 CG PRO A 41 5.902 -1.392 -1.428 1.00 0.00 C ATOM 558 CD PRO A 41 6.912 -0.299 -1.642 1.00 0.00 C ATOM 0 HA PRO A 41 7.290 -2.041 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.214 -2.929 -2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.883 -3.111 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.887 -0.997 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.032 -1.858 -0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.526 0.672 -1.331 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.824 -0.477 -1.071 1.00 0.00 H new ATOM 566 N ARG A 42 5.096 -2.085 -5.556 1.00 0.00 N ATOM 567 CA ARG A 42 3.984 -1.880 -6.477 1.00 0.00 C ATOM 568 C ARG A 42 2.647 -2.049 -5.762 1.00 0.00 C ATOM 569 O ARG A 42 2.378 -3.093 -5.167 1.00 0.00 O ATOM 570 CB ARG A 42 4.077 -2.860 -7.648 1.00 0.00 C ATOM 571 CG ARG A 42 4.893 -2.336 -8.818 1.00 0.00 C ATOM 572 CD ARG A 42 6.368 -2.229 -8.464 1.00 0.00 C ATOM 573 NE ARG A 42 7.159 -1.695 -9.570 1.00 0.00 N ATOM 574 CZ ARG A 42 7.615 -2.437 -10.573 1.00 0.00 C ATOM 575 NH1 ARG A 42 7.359 -3.737 -10.610 1.00 0.00 N ATOM 576 NH2 ARG A 42 8.327 -1.878 -11.543 1.00 0.00 N ATOM 0 H ARG A 42 5.610 -2.954 -5.702 1.00 0.00 H new ATOM 0 HA ARG A 42 4.045 -0.861 -6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.519 -3.792 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.071 -3.095 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.770 -2.999 -9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.517 -1.357 -9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.486 -1.587 -7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.747 -3.213 -8.189 1.00 0.00 H new ATOM 0 HE ARG A 42 7.373 -0.698 -9.572 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.811 -4.170 -9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.710 -4.304 -11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.525 -0.878 -11.519 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.677 -2.449 -12.313 1.00 0.00 H new ATOM 590 N ILE A 43 1.813 -1.017 -5.825 1.00 0.00 N ATOM 591 CA ILE A 43 0.504 -1.052 -5.184 1.00 0.00 C ATOM 592 C ILE A 43 -0.575 -1.503 -6.162 1.00 0.00 C ATOM 593 O ILE A 43 -0.951 -0.764 -7.073 1.00 0.00 O ATOM 594 CB ILE A 43 0.120 0.325 -4.612 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.277 0.903 -3.794 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.134 0.213 -3.758 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.792 -0.038 -2.727 1.00 0.00 C ATOM 0 H ILE A 43 2.020 -0.146 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 43 0.572 -1.769 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.087 1.001 -5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.095 1.159 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.951 1.830 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.393 1.195 -3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.957 -0.160 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.952 -0.476 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.611 0.437 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.987 -0.274 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.150 -0.956 -3.193 1.00 0.00 H new ATOM 609 N THR A 44 -1.072 -2.720 -5.967 1.00 0.00 N ATOM 610 CA THR A 44 -2.109 -3.270 -6.831 1.00 0.00 C ATOM 611 C THR A 44 -3.226 -3.906 -6.013 1.00 0.00 C ATOM 612 O THR A 44 -2.988 -4.824 -5.228 1.00 0.00 O ATOM 613 CB THR A 44 -1.534 -4.322 -7.799 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.427 -3.770 -8.521 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.598 -4.795 -8.778 1.00 0.00 C ATOM 0 H THR A 44 -0.773 -3.344 -5.218 1.00 0.00 H new ATOM 0 HA THR A 44 -2.513 -2.438 -7.408 1.00 0.00 H new ATOM 0 HB THR A 44 -1.196 -5.176 -7.213 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.066 -4.445 -9.133 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.169 -5.537 -9.451 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.427 -5.241 -8.228 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.962 -3.947 -9.358 1.00 0.00 H new ATOM 623 N TRP A 45 -4.445 -3.414 -6.202 1.00 0.00 N ATOM 624 CA TRP A 45 -5.600 -3.936 -5.481 1.00 0.00 C ATOM 625 C TRP A 45 -6.392 -4.906 -6.350 1.00 0.00 C ATOM 626 O TRP A 45 -6.743 -4.591 -7.488 1.00 0.00 O ATOM 627 CB TRP A 45 -6.503 -2.789 -5.023 1.00 0.00 C ATOM 628 CG TRP A 45 -5.805 -1.802 -4.136 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.803 -0.945 -4.493 1.00 0.00 C ATOM 630 CD2 TRP A 45 -6.056 -1.573 -2.745 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.417 -0.196 -3.407 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.171 -0.562 -2.323 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.944 -2.121 -1.816 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.148 -0.092 -1.013 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.921 -1.654 -0.516 1.00 0.00 C ATOM 636 CH2 TRP A 45 -6.029 -0.647 -0.124 1.00 0.00 C ATOM 0 H TRP A 45 -4.659 -2.654 -6.848 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.237 -4.475 -4.606 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.890 -2.269 -5.899 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.361 -3.201 -4.492 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.377 -0.867 -5.482 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.687 0.517 -3.408 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.636 -2.896 -2.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.460 0.683 -0.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.602 -2.072 0.210 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.037 -0.302 0.899 1.00 0.00 H new ATOM 647 N LEU A 46 -6.672 -6.086 -5.809 1.00 0.00 N ATOM 648 CA LEU A 46 -7.423 -7.103 -6.536 1.00 0.00 C ATOM 649 C LEU A 46 -8.696 -7.480 -5.786 1.00 0.00 C ATOM 650 O LEU A 46 -8.665 -7.750 -4.584 1.00 0.00 O ATOM 651 CB LEU A 46 -6.559 -8.346 -6.754 1.00 0.00 C ATOM 652 CG LEU A 46 -5.199 -8.111 -7.412 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.136 -7.838 -6.359 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.808 -9.306 -8.270 1.00 0.00 C ATOM 0 H LEU A 46 -6.390 -6.362 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.703 -6.689 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.395 -8.824 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.120 -9.051 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.275 -7.235 -8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.175 -7.673 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.410 -6.951 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.061 -8.694 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.838 -9.121 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.750 -10.198 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.556 -9.456 -9.048 1.00 0.00 H new ATOM 666 N LEU A 47 -9.815 -7.499 -6.501 1.00 0.00 N ATOM 667 CA LEU A 47 -11.100 -7.846 -5.903 1.00 0.00 C ATOM 668 C LEU A 47 -11.525 -9.255 -6.304 1.00 0.00 C ATOM 669 O LEU A 47 -11.316 -9.677 -7.441 1.00 0.00 O ATOM 670 CB LEU A 47 -12.171 -6.838 -6.327 1.00 0.00 C ATOM 671 CG LEU A 47 -13.477 -6.872 -5.533 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.275 -6.275 -4.149 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.575 -6.131 -6.280 1.00 0.00 C ATOM 0 H LEU A 47 -9.859 -7.278 -7.496 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.988 -7.815 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.749 -5.836 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.404 -7.006 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.783 -7.912 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.215 -6.307 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.520 -6.849 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.945 -5.240 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.497 -6.166 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.278 -5.093 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.738 -6.603 -7.249 1.00 0.00 H new ATOM 685 N ASN A 48 -12.123 -9.977 -5.362 1.00 0.00 N ATOM 686 CA ASN A 48 -12.579 -11.339 -5.618 1.00 0.00 C ATOM 687 C ASN A 48 -11.558 -12.106 -6.453 1.00 0.00 C ATOM 688 O ASN A 48 -11.910 -13.026 -7.190 1.00 0.00 O ATOM 689 CB ASN A 48 -13.931 -11.321 -6.334 1.00 0.00 C ATOM 690 CG ASN A 48 -13.891 -10.525 -7.624 1.00 0.00 C ATOM 691 OD1 ASN A 48 -13.160 -10.866 -8.555 1.00 0.00 O ATOM 692 ND2 ASN A 48 -14.678 -9.457 -7.685 1.00 0.00 N ATOM 0 H ASN A 48 -12.303 -9.642 -4.415 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.691 -11.845 -4.659 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.238 -12.344 -6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.685 -10.896 -5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.693 -8.882 -8.527 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.267 -9.212 -6.889 1.00 0.00 H new ATOM 699 N GLY A 49 -10.292 -11.721 -6.331 1.00 0.00 N ATOM 700 CA GLY A 49 -9.239 -12.383 -7.080 1.00 0.00 C ATOM 701 C GLY A 49 -9.123 -11.864 -8.499 1.00 0.00 C ATOM 702 O GLY A 49 -8.862 -12.630 -9.427 1.00 0.00 O ATOM 0 H GLY A 49 -9.976 -10.962 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.288 -12.242 -6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.433 -13.455 -7.103 1.00 0.00 H new ATOM 706 N GLN A 50 -9.320 -10.561 -8.669 1.00 0.00 N ATOM 707 CA GLN A 50 -9.238 -9.941 -9.987 1.00 0.00 C ATOM 708 C GLN A 50 -8.647 -8.539 -9.893 1.00 0.00 C ATOM 709 O GLN A 50 -8.962 -7.765 -8.989 1.00 0.00 O ATOM 710 CB GLN A 50 -10.623 -9.882 -10.633 1.00 0.00 C ATOM 711 CG GLN A 50 -11.158 -11.242 -11.051 1.00 0.00 C ATOM 712 CD GLN A 50 -12.233 -11.145 -12.116 1.00 0.00 C ATOM 713 OE1 GLN A 50 -12.611 -10.050 -12.534 1.00 0.00 O ATOM 714 NE2 GLN A 50 -12.731 -12.292 -12.561 1.00 0.00 N ATOM 0 H GLN A 50 -9.537 -9.914 -7.911 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.581 -10.551 -10.608 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.322 -9.425 -9.932 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.579 -9.233 -11.508 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.336 -11.852 -11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.563 -11.753 -10.177 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.388 -13.176 -12.186 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.457 -12.289 -13.278 1.00 0.00 H new ATOM 723 N PRO A 51 -7.769 -8.201 -10.849 1.00 0.00 N ATOM 724 CA PRO A 51 -7.115 -6.889 -10.896 1.00 0.00 C ATOM 725 C PRO A 51 -8.086 -5.771 -11.257 1.00 0.00 C ATOM 726 O PRO A 51 -8.770 -5.835 -12.279 1.00 0.00 O ATOM 727 CB PRO A 51 -6.062 -7.057 -11.994 1.00 0.00 C ATOM 728 CG PRO A 51 -6.593 -8.141 -12.867 1.00 0.00 C ATOM 729 CD PRO A 51 -7.346 -9.073 -11.958 1.00 0.00 C ATOM 0 HA PRO A 51 -6.701 -6.605 -9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.922 -6.132 -12.553 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.092 -7.326 -11.575 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.247 -7.735 -13.639 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.784 -8.663 -13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.200 -9.524 -12.463 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.715 -9.890 -11.608 1.00 0.00 H new ATOM 737 N ILE A 52 -8.141 -4.746 -10.412 1.00 0.00 N ATOM 738 CA ILE A 52 -9.028 -3.613 -10.643 1.00 0.00 C ATOM 739 C ILE A 52 -8.385 -2.593 -11.577 1.00 0.00 C ATOM 740 O ILE A 52 -7.302 -2.079 -11.297 1.00 0.00 O ATOM 741 CB ILE A 52 -9.407 -2.916 -9.323 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.996 -3.928 -8.338 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.394 -1.788 -9.584 1.00 0.00 C ATOM 744 CD1 ILE A 52 -10.145 -3.387 -6.933 1.00 0.00 C ATOM 0 H ILE A 52 -7.582 -4.678 -9.562 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.931 -4.009 -11.107 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.506 -2.490 -8.883 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.972 -4.250 -8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.358 -4.812 -8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.652 -1.305 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.942 -1.057 -10.254 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.296 -2.193 -10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.568 -4.158 -6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.168 -3.092 -6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.807 -2.521 -6.945 1.00 0.00 H new ATOM 756 N GLN A 53 -9.059 -2.304 -12.685 1.00 0.00 N ATOM 757 CA GLN A 53 -8.553 -1.345 -13.659 1.00 0.00 C ATOM 758 C GLN A 53 -8.852 0.085 -13.220 1.00 0.00 C ATOM 759 O GLN A 53 -7.955 0.927 -13.160 1.00 0.00 O ATOM 760 CB GLN A 53 -9.170 -1.608 -15.033 1.00 0.00 C ATOM 761 CG GLN A 53 -8.989 -3.038 -15.518 1.00 0.00 C ATOM 762 CD GLN A 53 -9.075 -3.158 -17.027 1.00 0.00 C ATOM 763 OE1 GLN A 53 -10.025 -2.678 -17.646 1.00 0.00 O ATOM 764 NE2 GLN A 53 -8.081 -3.801 -17.627 1.00 0.00 N ATOM 0 H GLN A 53 -9.957 -2.720 -12.931 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.472 -1.468 -13.725 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.235 -1.379 -14.994 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.724 -0.928 -15.759 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.022 -3.412 -15.182 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.751 -3.671 -15.063 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.313 -4.183 -17.074 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.085 -3.913 -18.641 1.00 0.00 H new ATOM 773 N TYR A 54 -10.117 0.353 -12.914 1.00 0.00 N ATOM 774 CA TYR A 54 -10.534 1.682 -12.483 1.00 0.00 C ATOM 775 C TYR A 54 -10.292 1.871 -10.989 1.00 0.00 C ATOM 776 O TYR A 54 -11.118 2.450 -10.284 1.00 0.00 O ATOM 777 CB TYR A 54 -12.013 1.904 -12.805 1.00 0.00 C ATOM 778 CG TYR A 54 -12.951 1.156 -11.885 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.211 -0.195 -12.075 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.577 1.801 -10.825 1.00 0.00 C ATOM 781 CE1 TYR A 54 -14.069 -0.882 -11.237 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.435 1.122 -9.981 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.678 -0.219 -10.192 1.00 0.00 C ATOM 784 OH TYR A 54 -15.531 -0.900 -9.355 1.00 0.00 O ATOM 0 H TYR A 54 -10.871 -0.333 -12.957 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.937 2.416 -13.024 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.233 2.970 -12.746 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.203 1.595 -13.833 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.735 -0.718 -12.891 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.390 2.851 -10.658 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.262 -1.932 -11.400 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.912 1.638 -9.161 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.875 -0.289 -8.671 1.00 0.00 H new ATOM 794 N ALA A 55 -9.153 1.379 -10.513 1.00 0.00 N ATOM 795 CA ALA A 55 -8.800 1.495 -9.104 1.00 0.00 C ATOM 796 C ALA A 55 -8.004 2.768 -8.841 1.00 0.00 C ATOM 797 O ALA A 55 -6.787 2.799 -9.025 1.00 0.00 O ATOM 798 CB ALA A 55 -8.011 0.274 -8.655 1.00 0.00 C ATOM 0 H ALA A 55 -8.459 0.896 -11.083 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.723 1.549 -8.527 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.754 0.374 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.615 -0.622 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.098 0.194 -9.245 1.00 0.00 H new ATOM 804 N ARG A 56 -8.698 3.817 -8.410 1.00 0.00 N ATOM 805 CA ARG A 56 -8.054 5.093 -8.124 1.00 0.00 C ATOM 806 C ARG A 56 -7.357 5.058 -6.767 1.00 0.00 C ATOM 807 O ARG A 56 -7.866 5.591 -5.782 1.00 0.00 O ATOM 808 CB ARG A 56 -9.084 6.225 -8.151 1.00 0.00 C ATOM 809 CG ARG A 56 -9.304 6.815 -9.534 1.00 0.00 C ATOM 810 CD ARG A 56 -9.846 8.234 -9.454 1.00 0.00 C ATOM 811 NE ARG A 56 -9.892 8.877 -10.764 1.00 0.00 N ATOM 812 CZ ARG A 56 -10.037 10.186 -10.935 1.00 0.00 C ATOM 813 NH1 ARG A 56 -10.150 10.987 -9.885 1.00 0.00 N ATOM 814 NH2 ARG A 56 -10.069 10.697 -12.160 1.00 0.00 N ATOM 0 H ARG A 56 -9.706 3.808 -8.251 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.304 5.274 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.034 5.850 -7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.760 7.016 -7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.364 6.814 -10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.001 6.189 -10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.847 8.216 -9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.221 8.823 -8.783 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.808 8.289 -11.593 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.126 10.598 -8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.261 11.992 -10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.982 10.084 -12.971 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.180 11.702 -12.290 1.00 0.00 H new ATOM 828 N SER A 57 -6.188 4.427 -6.725 1.00 0.00 N ATOM 829 CA SER A 57 -5.422 4.318 -5.489 1.00 0.00 C ATOM 830 C SER A 57 -4.237 5.279 -5.498 1.00 0.00 C ATOM 831 O SER A 57 -3.704 5.617 -6.556 1.00 0.00 O ATOM 832 CB SER A 57 -4.928 2.883 -5.295 1.00 0.00 C ATOM 833 OG SER A 57 -3.914 2.822 -4.307 1.00 0.00 O ATOM 0 H SER A 57 -5.751 3.983 -7.533 1.00 0.00 H new ATOM 0 HA SER A 57 -6.077 4.584 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.762 2.244 -5.005 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.544 2.496 -6.239 1.00 0.00 H new ATOM 0 HG SER A 57 -4.198 3.325 -3.515 1.00 0.00 H new ATOM 839 N THR A 58 -3.828 5.717 -4.311 1.00 0.00 N ATOM 840 CA THR A 58 -2.708 6.639 -4.180 1.00 0.00 C ATOM 841 C THR A 58 -1.899 6.347 -2.922 1.00 0.00 C ATOM 842 O THR A 58 -2.435 6.349 -1.813 1.00 0.00 O ATOM 843 CB THR A 58 -3.187 8.103 -4.140 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.072 8.299 -3.031 1.00 0.00 O ATOM 845 CG2 THR A 58 -3.897 8.475 -5.433 1.00 0.00 C ATOM 0 H THR A 58 -4.257 5.447 -3.426 1.00 0.00 H new ATOM 0 HA THR A 58 -2.076 6.495 -5.056 1.00 0.00 H new ATOM 0 HB THR A 58 -2.314 8.745 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.896 7.619 -2.348 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.226 9.513 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.212 8.353 -6.272 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.762 7.826 -5.573 1.00 0.00 H new ATOM 853 N CYS A 59 -0.607 6.096 -3.101 1.00 0.00 N ATOM 854 CA CYS A 59 0.277 5.802 -1.978 1.00 0.00 C ATOM 855 C CYS A 59 1.222 6.969 -1.709 1.00 0.00 C ATOM 856 O CYS A 59 2.014 7.350 -2.570 1.00 0.00 O ATOM 857 CB CYS A 59 1.083 4.532 -2.256 1.00 0.00 C ATOM 858 SG CYS A 59 1.833 3.797 -0.785 1.00 0.00 S ATOM 0 H CYS A 59 -0.148 6.090 -4.012 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.340 5.646 -1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.430 3.795 -2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.869 4.764 -2.974 1.00 0.00 H new ATOM 0 HG CYS A 59 2.491 2.728 -1.122 1.00 0.00 H new ATOM 864 N GLU A 60 1.130 7.533 -0.509 1.00 0.00 N ATOM 865 CA GLU A 60 1.974 8.659 -0.128 1.00 0.00 C ATOM 866 C GLU A 60 2.659 8.397 1.210 1.00 0.00 C ATOM 867 O GLU A 60 2.004 8.089 2.205 1.00 0.00 O ATOM 868 CB GLU A 60 1.146 9.943 -0.047 1.00 0.00 C ATOM 869 CG GLU A 60 1.005 10.662 -1.378 1.00 0.00 C ATOM 870 CD GLU A 60 -0.254 11.503 -1.456 1.00 0.00 C ATOM 871 OE1 GLU A 60 -1.346 10.924 -1.630 1.00 0.00 O ATOM 872 OE2 GLU A 60 -0.147 12.742 -1.342 1.00 0.00 O ATOM 0 H GLU A 60 0.480 7.229 0.216 1.00 0.00 H new ATOM 0 HA GLU A 60 2.742 8.779 -0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.153 9.702 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.608 10.618 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.874 11.300 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.998 9.928 -2.184 1.00 0.00 H new ATOM 879 N ALA A 61 3.982 8.522 1.226 1.00 0.00 N ATOM 880 CA ALA A 61 4.757 8.300 2.441 1.00 0.00 C ATOM 881 C ALA A 61 4.428 6.947 3.062 1.00 0.00 C ATOM 882 O ALA A 61 4.263 6.834 4.276 1.00 0.00 O ATOM 883 CB ALA A 61 4.501 9.418 3.441 1.00 0.00 C ATOM 0 H ALA A 61 4.540 8.776 0.411 1.00 0.00 H new ATOM 0 HA ALA A 61 5.814 8.301 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.086 9.240 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.792 10.372 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.441 9.444 3.695 1.00 0.00 H new ATOM 889 N GLY A 62 4.334 5.922 2.220 1.00 0.00 N ATOM 890 CA GLY A 62 4.024 4.590 2.706 1.00 0.00 C ATOM 891 C GLY A 62 2.592 4.466 3.186 1.00 0.00 C ATOM 892 O GLY A 62 2.294 3.664 4.071 1.00 0.00 O ATOM 0 H GLY A 62 4.467 5.990 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.201 3.866 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.701 4.338 3.523 1.00 0.00 H new ATOM 896 N VAL A 63 1.703 5.264 2.604 1.00 0.00 N ATOM 897 CA VAL A 63 0.294 5.241 2.979 1.00 0.00 C ATOM 898 C VAL A 63 -0.589 4.924 1.777 1.00 0.00 C ATOM 899 O VAL A 63 -1.056 5.826 1.082 1.00 0.00 O ATOM 900 CB VAL A 63 -0.147 6.586 3.586 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.619 6.542 3.967 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.714 6.934 4.791 1.00 0.00 C ATOM 0 H VAL A 63 1.933 5.935 1.871 1.00 0.00 H new ATOM 0 HA VAL A 63 0.178 4.458 3.728 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.013 7.365 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.913 7.501 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.219 6.341 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.781 5.753 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.389 7.887 5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.614 6.155 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.757 7.010 4.483 1.00 0.00 H new ATOM 912 N ALA A 64 -0.815 3.637 1.538 1.00 0.00 N ATOM 913 CA ALA A 64 -1.644 3.200 0.422 1.00 0.00 C ATOM 914 C ALA A 64 -3.120 3.472 0.695 1.00 0.00 C ATOM 915 O ALA A 64 -3.651 3.076 1.732 1.00 0.00 O ATOM 916 CB ALA A 64 -1.420 1.721 0.144 1.00 0.00 C ATOM 0 H ALA A 64 -0.435 2.878 2.103 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.353 3.771 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.046 1.409 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.372 1.552 -0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.681 1.141 1.029 1.00 0.00 H new ATOM 922 N GLU A 65 -3.775 4.150 -0.241 1.00 0.00 N ATOM 923 CA GLU A 65 -5.190 4.476 -0.099 1.00 0.00 C ATOM 924 C GLU A 65 -5.947 4.188 -1.392 1.00 0.00 C ATOM 925 O GLU A 65 -5.405 4.335 -2.488 1.00 0.00 O ATOM 926 CB GLU A 65 -5.361 5.946 0.289 1.00 0.00 C ATOM 927 CG GLU A 65 -4.465 6.381 1.437 1.00 0.00 C ATOM 928 CD GLU A 65 -5.071 7.502 2.258 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.300 7.476 2.480 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.318 8.404 2.679 1.00 0.00 O ATOM 0 H GLU A 65 -3.350 4.484 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.604 3.849 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.152 6.569 -0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.401 6.122 0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.270 5.526 2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.503 6.706 1.039 1.00 0.00 H new ATOM 937 N LEU A 66 -7.203 3.778 -1.256 1.00 0.00 N ATOM 938 CA LEU A 66 -8.036 3.469 -2.413 1.00 0.00 C ATOM 939 C LEU A 66 -9.402 4.137 -2.295 1.00 0.00 C ATOM 940 O LEU A 66 -10.274 3.666 -1.564 1.00 0.00 O ATOM 941 CB LEU A 66 -8.207 1.955 -2.554 1.00 0.00 C ATOM 942 CG LEU A 66 -9.102 1.484 -3.701 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.346 1.528 -5.020 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.623 0.081 -3.429 1.00 0.00 C ATOM 0 H LEU A 66 -7.667 3.652 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.538 3.857 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.221 1.509 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.613 1.567 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.955 2.159 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.998 1.189 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.023 2.550 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.474 0.877 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.258 -0.238 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.783 -0.606 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.202 0.081 -2.506 1.00 0.00 H new ATOM 956 N HIS A 67 -9.582 5.237 -3.020 1.00 0.00 N ATOM 957 CA HIS A 67 -10.844 5.969 -2.998 1.00 0.00 C ATOM 958 C HIS A 67 -11.878 5.296 -3.895 1.00 0.00 C ATOM 959 O HIS A 67 -11.726 5.264 -5.117 1.00 0.00 O ATOM 960 CB HIS A 67 -10.626 7.415 -3.446 1.00 0.00 C ATOM 961 CG HIS A 67 -9.672 8.174 -2.577 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.942 9.432 -2.082 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.443 7.845 -2.113 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.921 9.845 -1.353 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.998 8.901 -1.355 1.00 0.00 N ATOM 0 H HIS A 67 -8.871 5.641 -3.629 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.220 5.966 -1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.252 7.417 -4.470 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.585 7.932 -3.456 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.912 6.924 -2.303 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.853 10.794 -0.842 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.101 8.948 -0.872 1.00 0.00 H new ATOM 974 N ILE A 68 -12.927 4.760 -3.281 1.00 0.00 N ATOM 975 CA ILE A 68 -13.986 4.088 -4.025 1.00 0.00 C ATOM 976 C ILE A 68 -15.320 4.805 -3.850 1.00 0.00 C ATOM 977 O ILE A 68 -15.876 4.843 -2.753 1.00 0.00 O ATOM 978 CB ILE A 68 -14.142 2.621 -3.581 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.829 1.862 -3.785 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.272 1.953 -4.350 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.360 1.841 -5.223 1.00 0.00 C ATOM 0 H ILE A 68 -13.067 4.778 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.698 4.112 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.390 2.601 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.056 2.317 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.954 0.837 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.370 0.917 -4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.205 2.483 -4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.051 1.980 -5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.424 1.286 -5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.115 1.359 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.203 2.862 -5.569 1.00 0.00 H new ATOM 993 N GLN A 69 -15.829 5.370 -4.940 1.00 0.00 N ATOM 994 CA GLN A 69 -17.100 6.084 -4.907 1.00 0.00 C ATOM 995 C GLN A 69 -18.219 5.232 -5.496 1.00 0.00 C ATOM 996 O GLN A 69 -17.970 4.327 -6.293 1.00 0.00 O ATOM 997 CB GLN A 69 -16.988 7.402 -5.675 1.00 0.00 C ATOM 998 CG GLN A 69 -16.688 7.221 -7.155 1.00 0.00 C ATOM 999 CD GLN A 69 -15.201 7.185 -7.449 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -14.684 6.200 -7.976 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -14.504 8.263 -7.108 1.00 0.00 N ATOM 0 H GLN A 69 -15.381 5.347 -5.856 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.341 6.297 -3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.920 7.956 -5.567 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.202 8.009 -5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.146 6.296 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.146 8.035 -7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.973 9.057 -6.673 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.499 8.296 -7.281 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.452 5.527 -5.099 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.610 4.788 -5.588 1.00 0.00 C ATOM 1012 C ASP A 70 -20.525 3.318 -5.189 1.00 0.00 C ATOM 1013 O ASP A 70 -20.747 2.429 -6.010 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.716 4.912 -7.109 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.374 6.207 -7.540 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -22.613 6.310 -7.424 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -20.651 7.119 -7.995 1.00 0.00 O ATOM 0 H ASP A 70 -19.675 6.273 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.503 5.218 -5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -19.719 4.852 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.287 4.070 -7.500 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.201 3.071 -3.924 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.087 1.710 -3.417 1.00 0.00 C ATOM 1024 C ALA A 71 -21.310 0.880 -3.793 1.00 0.00 C ATOM 1025 O ALA A 71 -22.360 0.979 -3.158 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.901 1.723 -1.907 1.00 0.00 C ATOM 0 H ALA A 71 -20.013 3.796 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.212 1.250 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.817 0.699 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.994 2.273 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.759 2.206 -1.439 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.167 0.062 -4.831 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.260 -0.786 -5.293 1.00 0.00 C ATOM 1034 C LEU A 72 -22.275 -2.114 -4.542 1.00 0.00 C ATOM 1035 O LEU A 72 -21.258 -2.570 -4.019 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.135 -1.038 -6.796 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.553 0.116 -7.708 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.073 -0.126 -9.130 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.063 0.299 -7.677 1.00 0.00 C ATOM 0 H LEU A 72 -20.305 -0.032 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.198 -0.268 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.098 -1.291 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -22.737 -1.911 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.088 1.031 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.380 0.706 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.986 -0.207 -9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.508 -1.051 -9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.343 1.124 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.547 -0.616 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.382 0.520 -6.658 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.454 -2.750 -4.489 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.629 -4.036 -3.807 1.00 0.00 C ATOM 1053 C PRO A 73 -22.934 -5.179 -4.538 1.00 0.00 C ATOM 1054 O PRO A 73 -22.767 -6.268 -3.990 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.146 -4.239 -3.817 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.626 -3.450 -4.985 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.707 -2.265 -5.090 1.00 0.00 C ATOM 0 HA PRO A 73 -23.192 -4.030 -2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.404 -5.293 -3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.598 -3.888 -2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.599 -4.047 -5.897 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.659 -3.132 -4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.563 -1.959 -6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.102 -1.402 -4.554 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.530 -4.924 -5.779 1.00 0.00 N ATOM 1066 CA GLU A 74 -21.853 -5.933 -6.584 1.00 0.00 C ATOM 1067 C GLU A 74 -20.342 -5.722 -6.563 1.00 0.00 C ATOM 1068 O GLU A 74 -19.591 -6.467 -7.194 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.364 -5.894 -8.026 1.00 0.00 C ATOM 1070 CG GLU A 74 -21.845 -4.709 -8.824 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.334 -4.714 -10.259 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -21.782 -5.486 -11.071 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -23.268 -3.946 -10.571 1.00 0.00 O ATOM 0 H GLU A 74 -22.660 -4.028 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.072 -6.911 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.074 -6.816 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.454 -5.865 -8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.159 -3.784 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.755 -4.719 -8.815 1.00 0.00 H new ATOM 1080 N ASP A 75 -19.903 -4.702 -5.834 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.482 -4.393 -5.729 1.00 0.00 C ATOM 1082 C ASP A 75 -17.890 -4.981 -4.452 1.00 0.00 C ATOM 1083 O ASP A 75 -16.672 -5.110 -4.321 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.264 -2.879 -5.756 1.00 0.00 C ATOM 1085 CG ASP A 75 -18.077 -2.347 -7.163 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -17.196 -2.865 -7.882 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -18.811 -1.412 -7.546 1.00 0.00 O ATOM 0 H ASP A 75 -20.511 -4.075 -5.307 1.00 0.00 H new ATOM 0 HA ASP A 75 -17.975 -4.841 -6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -19.118 -2.383 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.388 -2.630 -5.157 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.760 -5.336 -3.511 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.324 -5.910 -2.244 1.00 0.00 C ATOM 1094 C HIS A 76 -17.746 -7.307 -2.450 1.00 0.00 C ATOM 1095 O HIS A 76 -18.267 -8.095 -3.238 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.491 -5.969 -1.257 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.334 -7.198 -1.401 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.966 -7.544 -2.577 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.648 -8.166 -0.508 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -21.633 -8.671 -2.401 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -21.456 -9.069 -1.154 1.00 0.00 N ATOM 0 H HIS A 76 -19.771 -5.236 -3.603 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.543 -5.270 -1.834 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.100 -5.924 -0.241 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.119 -5.089 -1.396 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -20.925 -7.013 -3.447 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.323 -8.218 0.521 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -22.222 -9.180 -3.149 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.664 -7.606 -1.737 1.00 0.00 N ATOM 1111 CA GLY A 77 -16.033 -8.907 -1.858 1.00 0.00 C ATOM 1112 C GLY A 77 -14.793 -9.033 -0.994 1.00 0.00 C ATOM 1113 O GLY A 77 -14.858 -8.876 0.226 1.00 0.00 O ATOM 0 H GLY A 77 -16.214 -6.971 -1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.747 -9.681 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.765 -9.082 -2.900 1.00 0.00 H new ATOM 1117 N THR A 78 -13.659 -9.318 -1.626 1.00 0.00 N ATOM 1118 CA THR A 78 -12.400 -9.467 -0.908 1.00 0.00 C ATOM 1119 C THR A 78 -11.285 -8.676 -1.581 1.00 0.00 C ATOM 1120 O THR A 78 -10.764 -9.080 -2.621 1.00 0.00 O ATOM 1121 CB THR A 78 -11.980 -10.946 -0.813 1.00 0.00 C ATOM 1122 OG1 THR A 78 -13.004 -11.706 -0.164 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.673 -11.089 -0.048 1.00 0.00 C ATOM 0 H THR A 78 -13.587 -9.450 -2.635 1.00 0.00 H new ATOM 0 HA THR A 78 -12.562 -9.077 0.097 1.00 0.00 H new ATOM 0 HB THR A 78 -11.834 -11.325 -1.825 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.729 -12.645 -0.109 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.396 -12.142 0.006 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.888 -10.534 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.797 -10.694 0.960 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.923 -7.547 -0.983 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.870 -6.697 -1.526 1.00 0.00 C ATOM 1133 C TYR A 79 -8.492 -7.207 -1.116 1.00 0.00 C ATOM 1134 O TYR A 79 -8.288 -7.639 0.020 1.00 0.00 O ATOM 1135 CB TYR A 79 -10.054 -5.255 -1.052 1.00 0.00 C ATOM 1136 CG TYR A 79 -11.114 -4.496 -1.819 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -10.811 -3.855 -3.013 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -12.419 -4.420 -1.348 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -11.776 -3.161 -3.717 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -13.391 -3.729 -2.045 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.064 -3.101 -3.229 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.029 -2.410 -3.925 1.00 0.00 O ATOM 0 H TYR A 79 -11.343 -7.199 -0.121 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.940 -6.727 -2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.316 -5.260 0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.104 -4.728 -1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.803 -3.900 -3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.678 -4.910 -0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.523 -2.668 -4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.401 -3.681 -1.665 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.882 -2.467 -3.446 1.00 0.00 H new ATOM 1152 N THR A 80 -7.546 -7.154 -2.048 1.00 0.00 N ATOM 1153 CA THR A 80 -6.187 -7.610 -1.786 1.00 0.00 C ATOM 1154 C THR A 80 -5.161 -6.618 -2.322 1.00 0.00 C ATOM 1155 O THR A 80 -5.067 -6.400 -3.530 1.00 0.00 O ATOM 1156 CB THR A 80 -5.926 -8.991 -2.415 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.894 -9.935 -1.943 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.526 -9.483 -2.081 1.00 0.00 C ATOM 0 H THR A 80 -7.697 -6.799 -2.992 1.00 0.00 H new ATOM 0 HA THR A 80 -6.083 -7.687 -0.704 1.00 0.00 H new ATOM 0 HB THR A 80 -6.011 -8.894 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.722 -10.810 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.365 -10.460 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.791 -8.777 -2.467 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.417 -9.564 -0.999 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.393 -6.021 -1.417 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.373 -5.052 -1.800 1.00 0.00 C ATOM 1168 C CYS A 81 -1.987 -5.690 -1.795 1.00 0.00 C ATOM 1169 O CYS A 81 -1.418 -5.956 -0.736 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.398 -3.852 -0.852 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.475 -2.417 -1.451 1.00 0.00 S ATOM 0 H CYS A 81 -4.458 -6.191 -0.413 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.593 -4.711 -2.812 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.434 -3.559 -0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.990 -4.156 0.112 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.305 -1.469 -1.769 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.451 -5.934 -2.986 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.132 -6.543 -3.120 1.00 0.00 C ATOM 1179 C LEU A 82 0.959 -5.477 -3.158 1.00 0.00 C ATOM 1180 O LEU A 82 0.800 -4.435 -3.793 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.070 -7.398 -4.387 1.00 0.00 C ATOM 1182 CG LEU A 82 1.329 -7.797 -4.859 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.077 -8.529 -3.756 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.243 -8.659 -6.111 1.00 0.00 C ATOM 0 H LEU A 82 -1.909 -5.720 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 82 0.037 -7.179 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.647 -8.307 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.562 -6.854 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 82 1.882 -6.890 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.070 -8.805 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.170 -7.879 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.528 -9.429 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.247 -8.934 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.672 -9.562 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.748 -8.100 -6.905 1.00 0.00 H new ATOM 1196 N ALA A 83 2.067 -5.747 -2.476 1.00 0.00 N ATOM 1197 CA ALA A 83 3.185 -4.813 -2.435 1.00 0.00 C ATOM 1198 C ALA A 83 4.519 -5.551 -2.492 1.00 0.00 C ATOM 1199 O ALA A 83 4.945 -6.156 -1.509 1.00 0.00 O ATOM 1200 CB ALA A 83 3.109 -3.952 -1.183 1.00 0.00 C ATOM 0 H ALA A 83 2.214 -6.605 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 83 3.119 -4.167 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.950 -3.259 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.176 -3.389 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.146 -4.590 -0.300 1.00 0.00 H new ATOM 1206 N GLU A 84 5.171 -5.497 -3.649 1.00 0.00 N ATOM 1207 CA GLU A 84 6.456 -6.162 -3.833 1.00 0.00 C ATOM 1208 C GLU A 84 7.463 -5.227 -4.496 1.00 0.00 C ATOM 1209 O GLU A 84 7.087 -4.253 -5.146 1.00 0.00 O ATOM 1210 CB GLU A 84 6.284 -7.426 -4.678 1.00 0.00 C ATOM 1211 CG GLU A 84 5.895 -7.146 -6.120 1.00 0.00 C ATOM 1212 CD GLU A 84 5.801 -8.409 -6.954 1.00 0.00 C ATOM 1213 OE1 GLU A 84 4.750 -9.081 -6.895 1.00 0.00 O ATOM 1214 OE2 GLU A 84 6.777 -8.725 -7.666 1.00 0.00 O ATOM 0 H GLU A 84 4.831 -5.000 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 84 6.837 -6.439 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.216 -7.991 -4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.522 -8.057 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.935 -6.630 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.628 -6.474 -6.566 1.00 0.00 H new ATOM 1221 N ASN A 85 8.745 -5.531 -4.325 1.00 0.00 N ATOM 1222 CA ASN A 85 9.808 -4.718 -4.905 1.00 0.00 C ATOM 1223 C ASN A 85 11.016 -5.577 -5.265 1.00 0.00 C ATOM 1224 O ASN A 85 10.978 -6.801 -5.144 1.00 0.00 O ATOM 1225 CB ASN A 85 10.225 -3.615 -3.930 1.00 0.00 C ATOM 1226 CG ASN A 85 10.963 -4.160 -2.722 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.287 -5.346 -2.662 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.232 -3.293 -1.753 1.00 0.00 N ATOM 0 H ASN A 85 9.073 -6.335 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 85 9.425 -4.261 -5.818 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.861 -2.897 -4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.339 -3.074 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.727 -3.601 -0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.944 -2.319 -1.846 1.00 0.00 H new ATOM 1235 N ALA A 86 12.087 -4.927 -5.708 1.00 0.00 N ATOM 1236 CA ALA A 86 13.307 -5.630 -6.083 1.00 0.00 C ATOM 1237 C ALA A 86 13.905 -6.367 -4.889 1.00 0.00 C ATOM 1238 O ALA A 86 14.737 -7.260 -5.051 1.00 0.00 O ATOM 1239 CB ALA A 86 14.320 -4.656 -6.667 1.00 0.00 C ATOM 0 H ALA A 86 12.134 -3.914 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 86 13.052 -6.369 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.226 -5.195 -6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.898 -4.179 -7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.562 -3.895 -5.925 1.00 0.00 H new ATOM 1245 N LEU A 87 13.478 -5.986 -3.691 1.00 0.00 N ATOM 1246 CA LEU A 87 13.972 -6.610 -2.468 1.00 0.00 C ATOM 1247 C LEU A 87 13.129 -7.826 -2.098 1.00 0.00 C ATOM 1248 O LEU A 87 13.553 -8.967 -2.278 1.00 0.00 O ATOM 1249 CB LEU A 87 13.965 -5.601 -1.318 1.00 0.00 C ATOM 1250 CG LEU A 87 15.225 -4.748 -1.166 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.339 -5.553 -0.517 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.670 -4.209 -2.518 1.00 0.00 C ATOM 0 H LEU A 87 12.791 -5.248 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 87 14.995 -6.941 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.113 -4.934 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.803 -6.143 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 87 14.993 -3.902 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.228 -4.930 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.018 -5.889 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.571 -6.419 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.568 -3.604 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.885 -5.041 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.876 -3.595 -2.944 1.00 0.00 H new ATOM 1264 N GLY A 88 11.930 -7.573 -1.582 1.00 0.00 N ATOM 1265 CA GLY A 88 11.045 -8.657 -1.197 1.00 0.00 C ATOM 1266 C GLY A 88 9.661 -8.519 -1.801 1.00 0.00 C ATOM 1267 O GLY A 88 9.447 -7.698 -2.693 1.00 0.00 O ATOM 0 H GLY A 88 11.556 -6.637 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.481 -9.606 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.963 -8.686 -0.111 1.00 0.00 H new ATOM 1271 N GLN A 89 8.722 -9.324 -1.315 1.00 0.00 N ATOM 1272 CA GLN A 89 7.353 -9.288 -1.816 1.00 0.00 C ATOM 1273 C GLN A 89 6.364 -9.689 -0.726 1.00 0.00 C ATOM 1274 O GLN A 89 6.517 -10.730 -0.087 1.00 0.00 O ATOM 1275 CB GLN A 89 7.204 -10.217 -3.022 1.00 0.00 C ATOM 1276 CG GLN A 89 7.519 -11.672 -2.713 1.00 0.00 C ATOM 1277 CD GLN A 89 7.204 -12.596 -3.872 1.00 0.00 C ATOM 1278 OE1 GLN A 89 8.067 -13.339 -4.341 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.962 -12.557 -4.340 1.00 0.00 N ATOM 0 H GLN A 89 8.884 -10.008 -0.576 1.00 0.00 H new ATOM 0 HA GLN A 89 7.133 -8.266 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.184 -10.147 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.863 -9.873 -3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.574 -11.765 -2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.949 -11.985 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.279 -11.926 -3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.691 -13.158 -5.118 1.00 0.00 H new ATOM 1288 N VAL A 90 5.350 -8.855 -0.518 1.00 0.00 N ATOM 1289 CA VAL A 90 4.335 -9.123 0.494 1.00 0.00 C ATOM 1290 C VAL A 90 2.945 -8.753 -0.010 1.00 0.00 C ATOM 1291 O VAL A 90 2.796 -7.889 -0.874 1.00 0.00 O ATOM 1292 CB VAL A 90 4.621 -8.347 1.794 1.00 0.00 C ATOM 1293 CG1 VAL A 90 6.027 -8.644 2.295 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.428 -6.854 1.577 1.00 0.00 C ATOM 0 H VAL A 90 5.210 -7.988 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 90 4.370 -10.192 0.702 1.00 0.00 H new ATOM 0 HB VAL A 90 3.913 -8.675 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.211 -8.087 3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.125 -9.712 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.753 -8.346 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.634 -6.322 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.111 -6.508 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.400 -6.661 1.269 1.00 0.00 H new ATOM 1304 N SER A 91 1.928 -9.413 0.536 1.00 0.00 N ATOM 1305 CA SER A 91 0.549 -9.156 0.139 1.00 0.00 C ATOM 1306 C SER A 91 -0.383 -9.217 1.345 1.00 0.00 C ATOM 1307 O SER A 91 -0.087 -9.881 2.340 1.00 0.00 O ATOM 1308 CB SER A 91 0.103 -10.169 -0.917 1.00 0.00 C ATOM 1309 OG SER A 91 0.135 -11.489 -0.403 1.00 0.00 O ATOM 0 H SER A 91 2.034 -10.129 1.254 1.00 0.00 H new ATOM 0 HA SER A 91 0.500 -8.154 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.907 -9.930 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.753 -10.099 -1.790 1.00 0.00 H new ATOM 0 HG SER A 91 -0.156 -12.117 -1.097 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.511 -8.521 1.250 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.488 -8.495 2.332 1.00 0.00 C ATOM 1317 C CYS A 92 -3.909 -8.455 1.781 1.00 0.00 C ATOM 1318 O CYS A 92 -4.149 -7.938 0.690 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.245 -7.286 3.237 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.823 -5.719 2.547 1.00 0.00 S ATOM 0 H CYS A 92 -1.771 -7.967 0.434 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.370 -9.407 2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -2.742 -7.455 4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.177 -7.208 3.442 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.801 -4.997 2.193 1.00 0.00 H new ATOM 1326 N SER A 93 -4.849 -9.006 2.543 1.00 0.00 N ATOM 1327 CA SER A 93 -6.247 -9.039 2.128 1.00 0.00 C ATOM 1328 C SER A 93 -7.122 -8.264 3.108 1.00 0.00 C ATOM 1329 O SER A 93 -6.688 -7.920 4.207 1.00 0.00 O ATOM 1330 CB SER A 93 -6.736 -10.485 2.022 1.00 0.00 C ATOM 1331 OG SER A 93 -6.577 -11.168 3.254 1.00 0.00 O ATOM 0 H SER A 93 -4.668 -9.435 3.450 1.00 0.00 H new ATOM 0 HA SER A 93 -6.321 -8.566 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.786 -10.497 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.181 -11.004 1.240 1.00 0.00 H new ATOM 0 HG SER A 93 -6.898 -12.089 3.161 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.358 -7.994 2.702 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.297 -7.262 3.544 1.00 0.00 C ATOM 1339 C ALA A 94 -10.735 -7.676 3.251 1.00 0.00 C ATOM 1340 O ALA A 94 -11.008 -8.340 2.252 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.126 -5.763 3.344 1.00 0.00 C ATOM 0 H ALA A 94 -8.733 -8.271 1.795 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.081 -7.506 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.833 -5.228 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.109 -5.474 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.313 -5.512 2.300 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.649 -7.280 4.129 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.060 -7.611 3.965 1.00 0.00 C ATOM 1349 C TRP A 95 -13.924 -6.356 4.016 1.00 0.00 C ATOM 1350 O TRP A 95 -13.839 -5.570 4.960 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.504 -8.595 5.049 1.00 0.00 C ATOM 1352 CG TRP A 95 -14.932 -9.027 4.910 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.008 -8.533 5.592 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.439 -10.042 4.038 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.153 -9.180 5.195 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.832 -10.110 4.242 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.854 -10.899 3.102 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.643 -11.001 3.546 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.661 -11.784 2.412 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.043 -11.829 2.636 1.00 0.00 C ATOM 0 H TRP A 95 -11.439 -6.729 4.962 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.186 -8.077 2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.861 -9.475 5.017 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.365 -8.134 6.027 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -15.965 -7.749 6.334 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.091 -8.997 5.552 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.790 -10.870 2.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.709 -11.038 3.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.219 -12.452 1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.647 -12.531 2.080 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.754 -6.172 2.995 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.634 -5.011 2.924 1.00 0.00 C ATOM 1373 C VAL A 96 -17.090 -5.435 2.761 1.00 0.00 C ATOM 1374 O VAL A 96 -17.402 -6.342 1.988 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.247 -4.083 1.758 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -16.146 -2.856 1.731 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.784 -3.680 1.861 1.00 0.00 C ATOM 0 H VAL A 96 -14.836 -6.812 2.205 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.519 -4.469 3.862 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.386 -4.626 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.858 -2.212 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.183 -3.167 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.042 -2.308 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.528 -3.024 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.617 -3.155 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -13.158 -4.571 1.827 1.00 0.00 H new ATOM 1387 N THR A 97 -17.979 -4.772 3.494 1.00 0.00 N ATOM 1388 CA THR A 97 -19.402 -5.080 3.431 1.00 0.00 C ATOM 1389 C THR A 97 -20.222 -3.830 3.132 1.00 0.00 C ATOM 1390 O THR A 97 -20.239 -2.883 3.918 1.00 0.00 O ATOM 1391 CB THR A 97 -19.901 -5.703 4.749 1.00 0.00 C ATOM 1392 OG1 THR A 97 -18.970 -6.691 5.206 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.271 -6.337 4.563 1.00 0.00 C ATOM 0 H THR A 97 -17.738 -4.018 4.138 1.00 0.00 H new ATOM 0 HA THR A 97 -19.534 -5.800 2.624 1.00 0.00 H new ATOM 0 HB THR A 97 -19.984 -4.910 5.492 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.293 -7.082 6.045 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.603 -6.770 5.507 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.983 -5.577 4.243 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.210 -7.119 3.806 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.902 -3.833 1.990 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.727 -2.700 1.587 1.00 0.00 C ATOM 1403 C VAL A 98 -23.180 -2.903 2.001 1.00 0.00 C ATOM 1404 O VAL A 98 -23.872 -3.772 1.472 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.665 -2.474 0.064 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.467 -1.242 -0.326 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.221 -2.349 -0.397 1.00 0.00 C ATOM 0 H VAL A 98 -20.898 -4.608 1.327 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.327 -1.822 2.094 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.107 -3.338 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.412 -1.098 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.508 -1.377 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -22.057 -0.367 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.196 -2.190 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.750 -1.504 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.681 -3.263 -0.153 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.636 -2.093 2.952 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.009 -2.182 3.437 1.00 0.00 C ATOM 1419 C HIS A 99 -26.001 -2.101 2.281 1.00 0.00 C ATOM 1420 O HIS A 99 -27.030 -2.777 2.284 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.290 -1.067 4.444 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.436 -1.141 5.673 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.575 -2.127 6.627 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.428 -0.345 6.100 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.690 -1.933 7.589 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -22.981 -0.858 7.293 1.00 0.00 N ATOM 0 H HIS A 99 -23.076 -1.369 3.401 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.131 -3.146 3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.133 -0.103 3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.339 -1.109 4.737 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.255 -2.887 6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.046 0.531 5.596 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.567 -2.549 8.468 1.00 0.00 H new