USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 665 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 10 GLN : amide:sc= -7.46! C(o=-12!,f=-16!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -4.81! C(o=-12!,f=-13!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 140:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.393 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 84:sc= -0.285! USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.334) USER MOD Single : A 41 TYR OH : rot 180:sc= -1.7 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.94! K(o=-3.9!,f=-0.78) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.3) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 12:sc= -0.737! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= 0.213! (180deg=-0.379!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.89! C(o=-2.9!,f=-5.4!) USER MOD Single : A 89 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 51 N PRO A 4 8.334 -9.928 -2.439 1.00 0.00 N ATOM 52 CA PRO A 4 7.671 -9.296 -3.586 1.00 0.00 C ATOM 53 C PRO A 4 8.332 -7.982 -3.992 1.00 0.00 C ATOM 54 O PRO A 4 8.943 -7.301 -3.168 1.00 0.00 O ATOM 55 CB PRO A 4 6.243 -9.042 -3.088 1.00 0.00 C ATOM 56 CG PRO A 4 6.335 -9.093 -1.602 1.00 0.00 C ATOM 57 CD PRO A 4 7.424 -10.078 -1.293 1.00 0.00 C ATOM 0 HA PRO A 4 7.720 -9.926 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.874 -8.074 -3.427 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.554 -9.797 -3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.568 -8.111 -1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.388 -9.406 -1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.920 -9.850 -0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.039 -11.095 -1.213 1.00 0.00 H new ATOM 65 N ALA A 5 8.200 -7.634 -5.267 1.00 0.00 N ATOM 66 CA ALA A 5 8.778 -6.401 -5.789 1.00 0.00 C ATOM 67 C ALA A 5 7.735 -5.290 -5.820 1.00 0.00 C ATOM 68 O ALA A 5 7.285 -4.875 -6.887 1.00 0.00 O ATOM 69 CB ALA A 5 9.352 -6.621 -7.181 1.00 0.00 C ATOM 0 H ALA A 5 7.697 -8.189 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 5 9.588 -6.100 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.778 -5.688 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.130 -7.383 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.560 -6.950 -7.853 1.00 0.00 H new ATOM 75 N PHE A 6 7.350 -4.816 -4.639 1.00 0.00 N ATOM 76 CA PHE A 6 6.356 -3.761 -4.523 1.00 0.00 C ATOM 77 C PHE A 6 6.959 -2.391 -4.817 1.00 0.00 C ATOM 78 O PHE A 6 8.173 -2.202 -4.736 1.00 0.00 O ATOM 79 CB PHE A 6 5.757 -3.775 -3.116 1.00 0.00 C ATOM 80 CG PHE A 6 6.737 -3.407 -2.037 1.00 0.00 C ATOM 81 CD1 PHE A 6 7.650 -4.335 -1.562 1.00 0.00 C ATOM 82 CD2 PHE A 6 6.743 -2.130 -1.499 1.00 0.00 C ATOM 83 CE1 PHE A 6 8.550 -3.996 -0.569 1.00 0.00 C ATOM 84 CE2 PHE A 6 7.641 -1.786 -0.506 1.00 0.00 C ATOM 85 CZ PHE A 6 8.546 -2.719 -0.041 1.00 0.00 C ATOM 0 H PHE A 6 7.715 -5.149 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 6 5.574 -3.947 -5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.916 -3.082 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.360 -4.769 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.659 -5.334 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.038 -1.395 -1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.256 -4.729 -0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.635 -0.788 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.249 -2.451 0.734 1.00 0.00 H new ATOM 95 N ASP A 7 6.096 -1.438 -5.151 1.00 0.00 N ATOM 96 CA ASP A 7 6.527 -0.077 -5.453 1.00 0.00 C ATOM 97 C ASP A 7 5.471 0.926 -5.002 1.00 0.00 C ATOM 98 O ASP A 7 4.272 0.648 -5.069 1.00 0.00 O ATOM 99 CB ASP A 7 6.789 0.082 -6.952 1.00 0.00 C ATOM 100 CG ASP A 7 7.588 1.332 -7.268 1.00 0.00 C ATOM 101 OD1 ASP A 7 6.977 2.416 -7.371 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.824 1.227 -7.412 1.00 0.00 O ATOM 0 H ASP A 7 5.089 -1.584 -5.220 1.00 0.00 H new ATOM 0 HA ASP A 7 7.453 0.117 -4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.326 -0.792 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.838 0.118 -7.483 1.00 0.00 H new ATOM 107 N LEU A 8 5.915 2.088 -4.535 1.00 0.00 N ATOM 108 CA LEU A 8 4.992 3.116 -4.069 1.00 0.00 C ATOM 109 C LEU A 8 5.076 4.374 -4.925 1.00 0.00 C ATOM 110 O LEU A 8 6.162 4.826 -5.288 1.00 0.00 O ATOM 111 CB LEU A 8 5.275 3.465 -2.607 1.00 0.00 C ATOM 112 CG LEU A 8 5.789 2.308 -1.751 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.431 2.832 -0.476 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.657 1.346 -1.427 1.00 0.00 C ATOM 0 H LEU A 8 6.901 2.340 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 8 3.983 2.713 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.008 4.271 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.359 3.850 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 8 6.548 1.768 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.791 1.994 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.268 3.482 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.695 3.396 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.039 0.527 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.877 1.874 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.243 0.946 -2.353 1.00 0.00 H new ATOM 126 N SER A 9 3.915 4.940 -5.225 1.00 0.00 N ATOM 127 CA SER A 9 3.824 6.158 -6.020 1.00 0.00 C ATOM 128 C SER A 9 2.733 7.051 -5.451 1.00 0.00 C ATOM 129 O SER A 9 1.652 6.572 -5.107 1.00 0.00 O ATOM 130 CB SER A 9 3.527 5.829 -7.484 1.00 0.00 C ATOM 131 OG SER A 9 4.642 6.119 -8.309 1.00 0.00 O ATOM 0 H SER A 9 3.013 4.570 -4.926 1.00 0.00 H new ATOM 0 HA SER A 9 4.780 6.680 -5.978 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.266 4.775 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.663 6.402 -7.821 1.00 0.00 H new ATOM 0 HG SER A 9 4.427 5.898 -9.239 1.00 0.00 H new ATOM 137 N GLN A 10 3.016 8.342 -5.320 1.00 0.00 N ATOM 138 CA GLN A 10 2.040 9.258 -4.754 1.00 0.00 C ATOM 139 C GLN A 10 1.835 10.494 -5.621 1.00 0.00 C ATOM 140 O GLN A 10 2.772 11.023 -6.217 1.00 0.00 O ATOM 141 CB GLN A 10 2.479 9.679 -3.352 1.00 0.00 C ATOM 142 CG GLN A 10 3.437 10.861 -3.340 1.00 0.00 C ATOM 143 CD GLN A 10 4.823 10.500 -3.841 1.00 0.00 C ATOM 144 OE1 GLN A 10 5.057 9.387 -4.310 1.00 0.00 O ATOM 145 NE2 GLN A 10 5.752 11.445 -3.742 1.00 0.00 N ATOM 0 H GLN A 10 3.900 8.771 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 10 1.087 8.731 -4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.596 9.932 -2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.956 8.831 -2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.029 11.660 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.513 11.251 -2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.514 12.355 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.703 11.261 -4.062 1.00 0.00 H new ATOM 154 N ASP A 11 0.589 10.948 -5.664 1.00 0.00 N ATOM 155 CA ASP A 11 0.211 12.127 -6.427 1.00 0.00 C ATOM 156 C ASP A 11 -0.065 13.294 -5.484 1.00 0.00 C ATOM 157 O ASP A 11 -0.296 13.099 -4.291 1.00 0.00 O ATOM 158 CB ASP A 11 -1.026 11.836 -7.281 1.00 0.00 C ATOM 159 CG ASP A 11 -0.723 11.865 -8.767 1.00 0.00 C ATOM 160 OD1 ASP A 11 0.417 11.528 -9.148 1.00 0.00 O ATOM 161 OD2 ASP A 11 -1.627 12.226 -9.550 1.00 0.00 O ATOM 0 H ASP A 11 -0.187 10.508 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 11 1.035 12.394 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.427 10.858 -7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.800 12.570 -7.056 1.00 0.00 H new ATOM 166 N PRO A 12 -0.037 14.526 -6.009 1.00 0.00 N ATOM 167 CA PRO A 12 -0.278 15.738 -5.213 1.00 0.00 C ATOM 168 C PRO A 12 -1.692 15.815 -4.634 1.00 0.00 C ATOM 169 O PRO A 12 -2.019 16.761 -3.915 1.00 0.00 O ATOM 170 CB PRO A 12 -0.056 16.876 -6.213 1.00 0.00 C ATOM 171 CG PRO A 12 -0.246 16.255 -7.555 1.00 0.00 C ATOM 172 CD PRO A 12 0.234 14.837 -7.421 1.00 0.00 C ATOM 0 HA PRO A 12 0.378 15.771 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.765 17.688 -6.050 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.943 17.300 -6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.293 16.287 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.321 16.790 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.301 14.165 -8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.294 14.746 -7.658 1.00 0.00 H new ATOM 180 N ASP A 13 -2.524 14.819 -4.926 1.00 0.00 N ATOM 181 CA ASP A 13 -3.889 14.781 -4.409 1.00 0.00 C ATOM 182 C ASP A 13 -4.253 13.378 -3.927 1.00 0.00 C ATOM 183 O ASP A 13 -5.411 13.111 -3.606 1.00 0.00 O ATOM 184 CB ASP A 13 -4.874 15.222 -5.489 1.00 0.00 C ATOM 185 CG ASP A 13 -4.612 16.635 -5.972 1.00 0.00 C ATOM 186 OD1 ASP A 13 -5.182 17.578 -5.385 1.00 0.00 O ATOM 187 OD2 ASP A 13 -3.833 16.797 -6.935 1.00 0.00 O ATOM 0 H ASP A 13 -2.277 14.027 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.947 15.466 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.813 14.536 -6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.889 15.158 -5.098 1.00 0.00 H new ATOM 192 N PHE A 14 -3.253 12.497 -3.863 1.00 0.00 N ATOM 193 CA PHE A 14 -3.461 11.115 -3.415 1.00 0.00 C ATOM 194 C PHE A 14 -2.141 10.369 -3.244 1.00 0.00 C ATOM 195 O PHE A 14 -1.077 10.857 -3.618 1.00 0.00 O ATOM 196 CB PHE A 14 -4.309 10.320 -4.425 1.00 0.00 C ATOM 197 CG PHE A 14 -5.545 11.014 -4.919 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.477 11.916 -5.969 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.776 10.762 -4.335 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.614 12.553 -6.427 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.918 11.396 -4.790 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.836 12.294 -5.836 1.00 0.00 C ATOM 0 H PHE A 14 -2.289 12.715 -4.116 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.976 11.187 -2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.684 10.074 -5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.603 9.377 -3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.525 12.123 -6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.845 10.062 -3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.548 13.253 -7.247 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.872 11.189 -4.328 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.725 12.793 -6.192 1.00 0.00 H new ATOM 212 N LEU A 15 -2.246 9.159 -2.706 1.00 0.00 N ATOM 213 CA LEU A 15 -1.100 8.280 -2.511 1.00 0.00 C ATOM 214 C LEU A 15 -1.488 6.880 -2.954 1.00 0.00 C ATOM 215 O LEU A 15 -2.395 6.278 -2.379 1.00 0.00 O ATOM 216 CB LEU A 15 -0.659 8.250 -1.044 1.00 0.00 C ATOM 217 CG LEU A 15 0.179 7.032 -0.647 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.703 5.804 -0.482 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.264 6.775 -1.682 1.00 0.00 C ATOM 0 H LEU A 15 -3.131 8.760 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.264 8.655 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.084 9.152 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.547 8.283 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 15 0.656 7.240 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.088 4.950 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.444 5.990 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.210 5.591 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.851 5.906 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.804 6.588 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.915 7.646 -1.751 1.00 0.00 H new ATOM 231 N THR A 16 -0.825 6.355 -3.977 1.00 0.00 N ATOM 232 CA THR A 16 -1.146 5.028 -4.470 1.00 0.00 C ATOM 233 C THR A 16 -0.061 4.028 -4.100 1.00 0.00 C ATOM 234 O THR A 16 1.109 4.383 -3.964 1.00 0.00 O ATOM 235 CB THR A 16 -1.331 5.031 -5.999 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.279 6.024 -6.410 1.00 0.00 O ATOM 237 CG2 THR A 16 -1.812 3.674 -6.492 1.00 0.00 C ATOM 0 H THR A 16 -0.069 6.825 -4.475 1.00 0.00 H new ATOM 0 HA THR A 16 -2.083 4.730 -3.999 1.00 0.00 H new ATOM 0 HB THR A 16 -0.357 5.259 -6.433 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.964 6.458 -7.230 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.935 3.703 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.079 2.911 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.767 3.435 -6.025 1.00 0.00 H new ATOM 245 N ILE A 17 -0.461 2.775 -3.940 1.00 0.00 N ATOM 246 CA ILE A 17 0.469 1.714 -3.587 1.00 0.00 C ATOM 247 C ILE A 17 0.381 0.575 -4.598 1.00 0.00 C ATOM 248 O ILE A 17 -0.665 0.364 -5.215 1.00 0.00 O ATOM 249 CB ILE A 17 0.190 1.189 -2.166 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.123 2.367 -1.181 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.257 0.184 -1.750 1.00 0.00 C ATOM 252 CD1 ILE A 17 0.213 1.962 0.275 1.00 0.00 C ATOM 0 H ILE A 17 -1.428 2.468 -4.050 1.00 0.00 H new ATOM 0 HA ILE A 17 1.478 2.125 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.771 0.675 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.934 3.060 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.811 2.907 -1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.044 -0.177 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.256 -0.656 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.235 0.665 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.158 2.851 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.613 1.294 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.159 1.450 0.452 1.00 0.00 H new ATOM 264 N ALA A 18 1.483 -0.147 -4.780 1.00 0.00 N ATOM 265 CA ALA A 18 1.519 -1.251 -5.735 1.00 0.00 C ATOM 266 C ALA A 18 2.168 -2.491 -5.132 1.00 0.00 C ATOM 267 O ALA A 18 3.358 -2.494 -4.819 1.00 0.00 O ATOM 268 CB ALA A 18 2.254 -0.839 -7.001 1.00 0.00 C ATOM 0 H ALA A 18 2.359 0.011 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 18 0.488 -1.500 -5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.270 -1.675 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.743 0.008 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.276 -0.554 -6.752 1.00 0.00 H new ATOM 274 N ILE A 19 1.375 -3.546 -4.973 1.00 0.00 N ATOM 275 CA ILE A 19 1.867 -4.795 -4.409 1.00 0.00 C ATOM 276 C ILE A 19 1.695 -5.952 -5.389 1.00 0.00 C ATOM 277 O ILE A 19 0.595 -6.202 -5.882 1.00 0.00 O ATOM 278 CB ILE A 19 1.139 -5.128 -3.095 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.868 -3.845 -2.307 1.00 0.00 C ATOM 280 CG2 ILE A 19 1.956 -6.109 -2.268 1.00 0.00 C ATOM 281 CD1 ILE A 19 -0.031 -4.044 -1.107 1.00 0.00 C ATOM 0 H ILE A 19 0.387 -3.559 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 19 2.930 -4.661 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 19 0.184 -5.598 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.818 -3.428 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.414 -3.110 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.426 -6.334 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.103 -7.029 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.925 -5.669 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.177 -3.090 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.995 -4.432 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.431 -4.754 -0.420 1.00 0.00 H new ATOM 293 N ARG A 20 2.791 -6.654 -5.667 1.00 0.00 N ATOM 294 CA ARG A 20 2.763 -7.783 -6.590 1.00 0.00 C ATOM 295 C ARG A 20 2.335 -9.062 -5.877 1.00 0.00 C ATOM 296 O ARG A 20 2.973 -9.494 -4.917 1.00 0.00 O ATOM 297 CB ARG A 20 4.140 -7.980 -7.230 1.00 0.00 C ATOM 298 CG ARG A 20 4.170 -9.078 -8.282 1.00 0.00 C ATOM 299 CD ARG A 20 5.386 -9.977 -8.116 1.00 0.00 C ATOM 300 NE ARG A 20 6.249 -9.953 -9.293 1.00 0.00 N ATOM 301 CZ ARG A 20 7.487 -10.438 -9.309 1.00 0.00 C ATOM 302 NH1 ARG A 20 7.999 -10.989 -8.216 1.00 0.00 N ATOM 303 NH2 ARG A 20 8.213 -10.373 -10.416 1.00 0.00 N ATOM 0 H ARG A 20 3.709 -6.460 -5.266 1.00 0.00 H new ATOM 0 HA ARG A 20 2.034 -7.562 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.457 -7.042 -7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.864 -8.216 -6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.262 -9.676 -8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.180 -8.631 -9.276 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.955 -9.659 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.058 -10.999 -7.928 1.00 0.00 H new ATOM 0 HE ARG A 20 5.882 -9.541 -10.151 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.443 -11.041 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.949 -11.361 -8.229 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.822 -9.950 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.162 -10.746 -10.426 1.00 0.00 H new ATOM 317 N VAL A 21 1.252 -9.664 -6.356 1.00 0.00 N ATOM 318 CA VAL A 21 0.733 -10.894 -5.771 1.00 0.00 C ATOM 319 C VAL A 21 0.037 -11.745 -6.825 1.00 0.00 C ATOM 320 O VAL A 21 -0.528 -11.220 -7.785 1.00 0.00 O ATOM 321 CB VAL A 21 -0.256 -10.603 -4.628 1.00 0.00 C ATOM 322 CG1 VAL A 21 0.397 -9.736 -3.563 1.00 0.00 C ATOM 323 CG2 VAL A 21 -1.515 -9.940 -5.167 1.00 0.00 C ATOM 0 H VAL A 21 0.715 -9.318 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 21 1.587 -11.439 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.539 -11.550 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.318 -9.541 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.265 -10.253 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.712 -8.791 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.202 -9.742 -4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.252 -9.001 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.994 -10.601 -5.889 1.00 0.00 H new ATOM 333 N SER A 22 0.082 -13.062 -6.648 1.00 0.00 N ATOM 334 CA SER A 22 -0.546 -13.976 -7.595 1.00 0.00 C ATOM 335 C SER A 22 -1.227 -15.135 -6.875 1.00 0.00 C ATOM 336 O SER A 22 -2.425 -15.363 -7.041 1.00 0.00 O ATOM 337 CB SER A 22 0.493 -14.516 -8.580 1.00 0.00 C ATOM 338 OG SER A 22 1.438 -15.343 -7.923 1.00 0.00 O ATOM 0 H SER A 22 0.544 -13.518 -5.862 1.00 0.00 H new ATOM 0 HA SER A 22 -1.306 -13.419 -8.143 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.006 -15.083 -9.366 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.007 -13.685 -9.064 1.00 0.00 H new ATOM 0 HG SER A 22 2.090 -15.677 -8.575 1.00 0.00 H new ATOM 344 N TYR A 23 -0.455 -15.869 -6.081 1.00 0.00 N ATOM 345 CA TYR A 23 -0.986 -17.010 -5.344 1.00 0.00 C ATOM 346 C TYR A 23 -2.153 -16.597 -4.453 1.00 0.00 C ATOM 347 O TYR A 23 -3.229 -17.189 -4.516 1.00 0.00 O ATOM 348 CB TYR A 23 0.116 -17.654 -4.500 1.00 0.00 C ATOM 349 CG TYR A 23 1.149 -18.395 -5.321 1.00 0.00 C ATOM 350 CD1 TYR A 23 1.099 -18.384 -6.709 1.00 0.00 C ATOM 351 CD2 TYR A 23 2.175 -19.105 -4.708 1.00 0.00 C ATOM 352 CE1 TYR A 23 2.040 -19.059 -7.463 1.00 0.00 C ATOM 353 CE2 TYR A 23 3.119 -19.782 -5.455 1.00 0.00 C ATOM 354 CZ TYR A 23 3.048 -19.755 -6.832 1.00 0.00 C ATOM 355 OH TYR A 23 3.988 -20.428 -7.580 1.00 0.00 O ATOM 0 H TYR A 23 0.539 -15.695 -5.931 1.00 0.00 H new ATOM 0 HA TYR A 23 -1.353 -17.737 -6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.614 -16.880 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.338 -18.346 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.311 -17.839 -7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.235 -19.128 -3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.986 -19.041 -8.541 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.909 -20.330 -4.963 1.00 0.00 H new ATOM 0 HH TYR A 23 4.629 -20.866 -6.982 1.00 0.00 H new ATOM 365 N ALA A 24 -1.933 -15.579 -3.626 1.00 0.00 N ATOM 366 CA ALA A 24 -2.968 -15.088 -2.719 1.00 0.00 C ATOM 367 C ALA A 24 -3.791 -16.241 -2.150 1.00 0.00 C ATOM 368 O ALA A 24 -4.707 -16.745 -2.801 1.00 0.00 O ATOM 369 CB ALA A 24 -3.880 -14.090 -3.420 1.00 0.00 C ATOM 0 H ALA A 24 -1.047 -15.077 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.468 -14.580 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.641 -13.740 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.291 -13.242 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.362 -14.572 -4.271 1.00 0.00 H new ATOM 375 N ARG A 25 -3.462 -16.653 -0.931 1.00 0.00 N ATOM 376 CA ARG A 25 -4.170 -17.750 -0.278 1.00 0.00 C ATOM 377 C ARG A 25 -5.525 -17.297 0.267 1.00 0.00 C ATOM 378 O ARG A 25 -6.216 -18.060 0.942 1.00 0.00 O ATOM 379 CB ARG A 25 -3.321 -18.333 0.853 1.00 0.00 C ATOM 380 CG ARG A 25 -2.885 -19.767 0.604 1.00 0.00 C ATOM 381 CD ARG A 25 -4.082 -20.695 0.501 1.00 0.00 C ATOM 382 NE ARG A 25 -3.799 -22.019 1.048 1.00 0.00 N ATOM 383 CZ ARG A 25 -4.721 -22.963 1.202 1.00 0.00 C ATOM 384 NH1 ARG A 25 -5.980 -22.727 0.858 1.00 0.00 N ATOM 385 NH2 ARG A 25 -4.386 -24.146 1.701 1.00 0.00 N ATOM 0 H ARG A 25 -2.711 -16.245 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.348 -18.521 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.436 -17.711 0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.889 -18.290 1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.302 -19.818 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.234 -20.098 1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.927 -20.257 1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.377 -20.790 -0.544 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.841 -22.231 1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.242 -21.819 0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.686 -23.453 0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.419 -24.332 1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.095 -24.869 1.818 1.00 0.00 H new ATOM 399 N VAL A 26 -5.903 -16.058 -0.035 1.00 0.00 N ATOM 400 CA VAL A 26 -7.178 -15.518 0.421 1.00 0.00 C ATOM 401 C VAL A 26 -7.969 -14.936 -0.744 1.00 0.00 C ATOM 402 O VAL A 26 -7.425 -14.209 -1.574 1.00 0.00 O ATOM 403 CB VAL A 26 -6.983 -14.426 1.488 1.00 0.00 C ATOM 404 CG1 VAL A 26 -6.770 -15.050 2.858 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.817 -13.520 1.118 1.00 0.00 C ATOM 0 H VAL A 26 -5.345 -15.411 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.732 -16.346 0.862 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.887 -13.818 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.634 -14.263 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.639 -15.652 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.884 -15.684 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.694 -12.754 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.904 -14.112 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.016 -13.044 0.158 1.00 0.00 H new ATOM 415 N SER A 27 -9.257 -15.261 -0.802 1.00 0.00 N ATOM 416 CA SER A 27 -10.117 -14.768 -1.871 1.00 0.00 C ATOM 417 C SER A 27 -10.113 -13.244 -1.910 1.00 0.00 C ATOM 418 O SER A 27 -10.061 -12.641 -2.981 1.00 0.00 O ATOM 419 CB SER A 27 -11.544 -15.287 -1.688 1.00 0.00 C ATOM 420 OG SER A 27 -12.493 -14.354 -2.173 1.00 0.00 O ATOM 0 H SER A 27 -9.726 -15.861 -0.124 1.00 0.00 H new ATOM 0 HA SER A 27 -9.727 -15.137 -2.819 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.660 -16.235 -2.214 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.730 -15.484 -0.632 1.00 0.00 H new ATOM 0 HG SER A 27 -13.397 -14.711 -2.046 1.00 0.00 H new ATOM 426 N GLU A 28 -10.163 -12.624 -0.735 1.00 0.00 N ATOM 427 CA GLU A 28 -10.157 -11.170 -0.635 1.00 0.00 C ATOM 428 C GLU A 28 -8.995 -10.707 0.241 1.00 0.00 C ATOM 429 O GLU A 28 -8.697 -11.322 1.264 1.00 0.00 O ATOM 430 CB GLU A 28 -11.487 -10.671 -0.063 1.00 0.00 C ATOM 431 CG GLU A 28 -11.393 -9.317 0.624 1.00 0.00 C ATOM 432 CD GLU A 28 -12.746 -8.784 1.049 1.00 0.00 C ATOM 433 OE1 GLU A 28 -13.765 -9.221 0.474 1.00 0.00 O ATOM 434 OE2 GLU A 28 -12.788 -7.927 1.957 1.00 0.00 O ATOM 0 H GLU A 28 -10.208 -13.107 0.162 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.030 -10.751 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.217 -10.608 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.862 -11.404 0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.749 -9.402 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.921 -8.603 -0.051 1.00 0.00 H new ATOM 441 N PHE A 29 -8.338 -9.628 -0.168 1.00 0.00 N ATOM 442 CA PHE A 29 -7.206 -9.102 0.585 1.00 0.00 C ATOM 443 C PHE A 29 -7.673 -8.181 1.706 1.00 0.00 C ATOM 444 O PHE A 29 -8.782 -7.646 1.664 1.00 0.00 O ATOM 445 CB PHE A 29 -6.245 -8.352 -0.343 1.00 0.00 C ATOM 446 CG PHE A 29 -6.118 -8.969 -1.707 1.00 0.00 C ATOM 447 CD1 PHE A 29 -6.446 -10.301 -1.916 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.668 -8.218 -2.782 1.00 0.00 C ATOM 449 CE1 PHE A 29 -6.328 -10.870 -3.169 1.00 0.00 C ATOM 450 CE2 PHE A 29 -5.548 -8.783 -4.037 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.879 -10.109 -4.232 1.00 0.00 C ATOM 0 H PHE A 29 -8.568 -9.103 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.681 -9.947 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.587 -7.322 -0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.260 -8.314 0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.798 -10.900 -1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.408 -7.180 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.586 -11.908 -3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.195 -8.187 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.787 -10.551 -5.213 1.00 0.00 H new ATOM 461 N ASP A 30 -6.817 -7.996 2.704 1.00 0.00 N ATOM 462 CA ASP A 30 -7.134 -7.137 3.836 1.00 0.00 C ATOM 463 C ASP A 30 -6.293 -5.867 3.798 1.00 0.00 C ATOM 464 O ASP A 30 -5.076 -5.910 3.983 1.00 0.00 O ATOM 465 CB ASP A 30 -6.896 -7.883 5.150 1.00 0.00 C ATOM 466 CG ASP A 30 -7.911 -8.986 5.379 1.00 0.00 C ATOM 467 OD1 ASP A 30 -8.650 -9.319 4.429 1.00 0.00 O ATOM 468 OD2 ASP A 30 -7.963 -9.520 6.506 1.00 0.00 O ATOM 0 H ASP A 30 -5.896 -8.431 2.751 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.186 -6.859 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.893 -8.310 5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.938 -7.176 5.979 1.00 0.00 H new ATOM 473 N VAL A 31 -6.945 -4.736 3.553 1.00 0.00 N ATOM 474 CA VAL A 31 -6.250 -3.457 3.487 1.00 0.00 C ATOM 475 C VAL A 31 -6.746 -2.500 4.565 1.00 0.00 C ATOM 476 O VAL A 31 -7.914 -2.113 4.580 1.00 0.00 O ATOM 477 CB VAL A 31 -6.420 -2.793 2.108 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.834 -1.390 2.114 1.00 0.00 C ATOM 479 CG2 VAL A 31 -5.775 -3.643 1.025 1.00 0.00 C ATOM 0 H VAL A 31 -7.951 -4.679 3.397 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.193 -3.667 3.653 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.485 -2.715 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.964 -0.937 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.346 -0.785 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.772 -1.440 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.905 -3.159 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.711 -3.755 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.246 -4.626 1.005 1.00 0.00 H new ATOM 489 N TYR A 32 -5.843 -2.119 5.462 1.00 0.00 N ATOM 490 CA TYR A 32 -6.175 -1.201 6.544 1.00 0.00 C ATOM 491 C TYR A 32 -5.370 0.087 6.413 1.00 0.00 C ATOM 492 O TYR A 32 -4.150 0.084 6.585 1.00 0.00 O ATOM 493 CB TYR A 32 -5.894 -1.849 7.900 1.00 0.00 C ATOM 494 CG TYR A 32 -6.848 -2.965 8.257 1.00 0.00 C ATOM 495 CD1 TYR A 32 -6.858 -4.154 7.539 1.00 0.00 C ATOM 496 CD2 TYR A 32 -7.736 -2.833 9.317 1.00 0.00 C ATOM 497 CE1 TYR A 32 -7.725 -5.180 7.866 1.00 0.00 C ATOM 498 CE2 TYR A 32 -8.607 -3.853 9.651 1.00 0.00 C ATOM 499 CZ TYR A 32 -8.598 -5.024 8.923 1.00 0.00 C ATOM 500 OH TYR A 32 -9.462 -6.043 9.252 1.00 0.00 O ATOM 0 H TYR A 32 -4.873 -2.433 5.460 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.237 -0.965 6.478 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.877 -2.240 7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.941 -1.083 8.674 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.176 -4.279 6.711 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.746 -1.918 9.890 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.719 -6.098 7.297 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.291 -3.733 10.478 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.008 -5.774 10.020 1.00 0.00 H new ATOM 510 N PHE A 33 -6.051 1.187 6.113 1.00 0.00 N ATOM 511 CA PHE A 33 -5.382 2.473 5.967 1.00 0.00 C ATOM 512 C PHE A 33 -5.913 3.478 6.986 1.00 0.00 C ATOM 513 O PHE A 33 -7.074 3.880 6.930 1.00 0.00 O ATOM 514 CB PHE A 33 -5.549 3.008 4.543 1.00 0.00 C ATOM 515 CG PHE A 33 -6.918 3.548 4.249 1.00 0.00 C ATOM 516 CD1 PHE A 33 -7.977 2.691 3.990 1.00 0.00 C ATOM 517 CD2 PHE A 33 -7.146 4.914 4.224 1.00 0.00 C ATOM 518 CE1 PHE A 33 -9.236 3.188 3.712 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.402 5.417 3.948 1.00 0.00 C ATOM 520 CZ PHE A 33 -9.449 4.553 3.691 1.00 0.00 C ATOM 0 H PHE A 33 -7.060 1.214 5.967 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.318 2.328 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.815 3.796 4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.326 2.208 3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.816 1.623 4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.331 5.594 4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.053 2.510 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.566 6.484 3.933 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.432 4.944 3.474 1.00 0.00 H new ATOM 530 N GLU A 34 -5.053 3.874 7.924 1.00 0.00 N ATOM 531 CA GLU A 34 -5.435 4.823 8.964 1.00 0.00 C ATOM 532 C GLU A 34 -4.349 5.874 9.195 1.00 0.00 C ATOM 533 O GLU A 34 -3.314 5.592 9.798 1.00 0.00 O ATOM 534 CB GLU A 34 -5.719 4.084 10.273 1.00 0.00 C ATOM 535 CG GLU A 34 -4.725 2.972 10.573 1.00 0.00 C ATOM 536 CD GLU A 34 -5.373 1.770 11.232 1.00 0.00 C ATOM 537 OE1 GLU A 34 -6.256 1.970 12.093 1.00 0.00 O ATOM 538 OE2 GLU A 34 -4.998 0.630 10.889 1.00 0.00 O ATOM 0 H GLU A 34 -4.087 3.551 7.983 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.337 5.334 8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.709 4.800 11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.723 3.661 10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.246 2.658 9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.939 3.358 11.223 1.00 0.00 H new ATOM 545 N GLY A 35 -4.604 7.089 8.724 1.00 0.00 N ATOM 546 CA GLY A 35 -3.657 8.177 8.898 1.00 0.00 C ATOM 547 C GLY A 35 -2.202 7.741 8.844 1.00 0.00 C ATOM 548 O GLY A 35 -1.595 7.450 9.874 1.00 0.00 O ATOM 0 H GLY A 35 -5.455 7.342 8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.831 8.925 8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.846 8.660 9.856 1.00 0.00 H new ATOM 552 N SER A 36 -1.640 7.722 7.639 1.00 0.00 N ATOM 553 CA SER A 36 -0.238 7.353 7.438 1.00 0.00 C ATOM 554 C SER A 36 0.039 5.878 7.737 1.00 0.00 C ATOM 555 O SER A 36 1.170 5.418 7.589 1.00 0.00 O ATOM 556 CB SER A 36 0.665 8.229 8.306 1.00 0.00 C ATOM 557 OG SER A 36 -0.089 9.202 9.007 1.00 0.00 O ATOM 0 H SER A 36 -2.136 7.959 6.780 1.00 0.00 H new ATOM 0 HA SER A 36 -0.020 7.515 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.209 7.605 9.016 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.409 8.722 7.680 1.00 0.00 H new ATOM 0 HG SER A 36 -0.448 8.808 9.829 1.00 0.00 H new ATOM 563 N ASP A 37 -0.980 5.136 8.155 1.00 0.00 N ATOM 564 CA ASP A 37 -0.805 3.721 8.462 1.00 0.00 C ATOM 565 C ASP A 37 -1.471 2.854 7.401 1.00 0.00 C ATOM 566 O ASP A 37 -2.673 2.950 7.182 1.00 0.00 O ATOM 567 CB ASP A 37 -1.384 3.401 9.841 1.00 0.00 C ATOM 568 CG ASP A 37 -1.296 1.925 10.176 1.00 0.00 C ATOM 569 OD1 ASP A 37 -0.195 1.465 10.548 1.00 0.00 O ATOM 570 OD2 ASP A 37 -2.327 1.229 10.067 1.00 0.00 O ATOM 0 H ASP A 37 -1.929 5.487 8.288 1.00 0.00 H new ATOM 0 HA ASP A 37 0.263 3.502 8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.850 3.975 10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.426 3.717 9.877 1.00 0.00 H new ATOM 575 N PHE A 38 -0.683 2.007 6.745 1.00 0.00 N ATOM 576 CA PHE A 38 -1.214 1.129 5.706 1.00 0.00 C ATOM 577 C PHE A 38 -0.776 -0.315 5.933 1.00 0.00 C ATOM 578 O PHE A 38 0.417 -0.612 5.983 1.00 0.00 O ATOM 579 CB PHE A 38 -0.761 1.603 4.324 1.00 0.00 C ATOM 580 CG PHE A 38 -1.014 0.600 3.234 1.00 0.00 C ATOM 581 CD1 PHE A 38 -0.096 -0.405 2.975 1.00 0.00 C ATOM 582 CD2 PHE A 38 -2.170 0.662 2.473 1.00 0.00 C ATOM 583 CE1 PHE A 38 -0.326 -1.330 1.975 1.00 0.00 C ATOM 584 CE2 PHE A 38 -2.405 -0.261 1.471 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.482 -1.258 1.222 1.00 0.00 C ATOM 0 H PHE A 38 0.318 1.910 6.912 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.302 1.169 5.756 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.277 2.531 4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.305 1.830 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.809 -0.466 3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.895 1.439 2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.397 -2.109 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.309 -0.203 0.884 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.664 -1.980 0.440 1.00 0.00 H new ATOM 595 N LYS A 39 -1.753 -1.208 6.067 1.00 0.00 N ATOM 596 CA LYS A 39 -1.475 -2.622 6.286 1.00 0.00 C ATOM 597 C LYS A 39 -2.158 -3.480 5.223 1.00 0.00 C ATOM 598 O LYS A 39 -3.358 -3.345 4.979 1.00 0.00 O ATOM 599 CB LYS A 39 -1.941 -3.045 7.681 1.00 0.00 C ATOM 600 CG LYS A 39 -1.673 -2.001 8.755 1.00 0.00 C ATOM 601 CD LYS A 39 -0.514 -2.409 9.651 1.00 0.00 C ATOM 602 CE LYS A 39 -0.098 -1.276 10.577 1.00 0.00 C ATOM 603 NZ LYS A 39 0.594 -1.780 11.796 1.00 0.00 N ATOM 0 H LYS A 39 -2.745 -0.976 6.027 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.398 -2.773 6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.010 -3.256 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.441 -3.974 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.451 -1.043 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.569 -1.860 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.800 -3.278 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.335 -2.708 9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.562 -0.593 10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.979 -0.705 10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.266 -1.062 12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.108 -1.976 12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.108 -2.654 11.567 1.00 0.00 H new ATOM 617 N PHE A 40 -1.386 -4.361 4.594 1.00 0.00 N ATOM 618 CA PHE A 40 -1.913 -5.239 3.554 1.00 0.00 C ATOM 619 C PHE A 40 -1.670 -6.704 3.909 1.00 0.00 C ATOM 620 O PHE A 40 -0.531 -7.167 3.924 1.00 0.00 O ATOM 621 CB PHE A 40 -1.258 -4.908 2.211 1.00 0.00 C ATOM 622 CG PHE A 40 -1.752 -5.750 1.069 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.896 -5.394 0.372 1.00 0.00 C ATOM 624 CD2 PHE A 40 -1.067 -6.891 0.688 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.348 -6.164 -0.682 1.00 0.00 C ATOM 626 CE2 PHE A 40 -1.514 -7.665 -0.365 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.656 -7.301 -1.052 1.00 0.00 C ATOM 0 H PHE A 40 -0.392 -4.486 4.786 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.988 -5.078 3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.437 -3.858 1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.179 -5.035 2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.440 -4.505 0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.173 -7.179 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.242 -5.877 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.971 -8.554 -0.651 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.007 -7.904 -1.876 1.00 0.00 H new ATOM 637 N TYR A 41 -2.747 -7.426 4.200 1.00 0.00 N ATOM 638 CA TYR A 41 -2.642 -8.836 4.564 1.00 0.00 C ATOM 639 C TYR A 41 -3.315 -9.730 3.527 1.00 0.00 C ATOM 640 O TYR A 41 -4.496 -9.563 3.222 1.00 0.00 O ATOM 641 CB TYR A 41 -3.274 -9.079 5.935 1.00 0.00 C ATOM 642 CG TYR A 41 -2.920 -8.027 6.962 1.00 0.00 C ATOM 643 CD1 TYR A 41 -3.587 -6.808 6.992 1.00 0.00 C ATOM 644 CD2 TYR A 41 -1.922 -8.253 7.901 1.00 0.00 C ATOM 645 CE1 TYR A 41 -3.267 -5.845 7.929 1.00 0.00 C ATOM 646 CE2 TYR A 41 -1.597 -7.294 8.841 1.00 0.00 C ATOM 647 CZ TYR A 41 -2.272 -6.092 8.851 1.00 0.00 C ATOM 648 OH TYR A 41 -1.952 -5.136 9.786 1.00 0.00 O ATOM 0 H TYR A 41 -3.699 -7.061 4.191 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.582 -9.089 4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.358 -9.116 5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.958 -10.055 6.303 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.367 -6.611 6.272 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.391 -9.194 7.896 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.794 -4.902 7.939 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.818 -7.485 9.564 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.231 -5.469 10.360 1.00 0.00 H new ATOM 658 N ALA A 42 -2.557 -10.686 2.996 1.00 0.00 N ATOM 659 CA ALA A 42 -3.086 -11.612 2.003 1.00 0.00 C ATOM 660 C ALA A 42 -2.753 -13.052 2.380 1.00 0.00 C ATOM 661 O ALA A 42 -2.607 -13.902 1.510 1.00 0.00 O ATOM 662 CB ALA A 42 -2.546 -11.292 0.617 1.00 0.00 C ATOM 0 H ALA A 42 -1.578 -10.838 3.237 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.170 -11.498 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.956 -11.998 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.835 -10.279 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.459 -11.370 0.623 1.00 0.00 H new ATOM 668 N LYS A 43 -2.644 -13.297 3.690 1.00 0.00 N ATOM 669 CA LYS A 43 -2.327 -14.616 4.254 1.00 0.00 C ATOM 670 C LYS A 43 -0.811 -14.790 4.451 1.00 0.00 C ATOM 671 O LYS A 43 -0.304 -14.444 5.517 1.00 0.00 O ATOM 672 CB LYS A 43 -2.955 -15.765 3.452 1.00 0.00 C ATOM 673 CG LYS A 43 -2.517 -17.140 3.932 1.00 0.00 C ATOM 674 CD LYS A 43 -3.270 -17.556 5.185 1.00 0.00 C ATOM 675 CE LYS A 43 -3.993 -18.877 4.984 1.00 0.00 C ATOM 676 NZ LYS A 43 -3.813 -19.790 6.146 1.00 0.00 N ATOM 0 H LYS A 43 -2.775 -12.576 4.399 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.785 -14.662 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.041 -15.694 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.690 -15.653 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.687 -17.873 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.446 -17.132 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.573 -17.644 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.990 -16.782 5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.056 -18.690 4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.621 -19.361 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.321 -20.680 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.801 -19.989 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.191 -19.339 7.004 1.00 0.00 H new ATOM 690 N PRO A 44 -0.038 -15.302 3.462 1.00 0.00 N ATOM 691 CA PRO A 44 1.406 -15.454 3.631 1.00 0.00 C ATOM 692 C PRO A 44 2.139 -14.154 3.364 1.00 0.00 C ATOM 693 O PRO A 44 3.299 -13.990 3.738 1.00 0.00 O ATOM 694 CB PRO A 44 1.771 -16.480 2.571 1.00 0.00 C ATOM 695 CG PRO A 44 0.807 -16.225 1.468 1.00 0.00 C ATOM 696 CD PRO A 44 -0.468 -15.751 2.118 1.00 0.00 C ATOM 0 HA PRO A 44 1.677 -15.748 4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.801 -16.357 2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.679 -17.497 2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.194 -15.474 0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.633 -17.131 0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.926 -14.939 1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.205 -16.551 2.181 1.00 0.00 H new ATOM 704 N TYR A 45 1.452 -13.238 2.697 1.00 0.00 N ATOM 705 CA TYR A 45 2.036 -11.955 2.359 1.00 0.00 C ATOM 706 C TYR A 45 1.475 -10.841 3.240 1.00 0.00 C ATOM 707 O TYR A 45 0.278 -10.556 3.212 1.00 0.00 O ATOM 708 CB TYR A 45 1.778 -11.639 0.886 1.00 0.00 C ATOM 709 CG TYR A 45 2.470 -12.590 -0.066 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.844 -12.791 -0.008 1.00 0.00 C ATOM 711 CD2 TYR A 45 1.745 -13.296 -1.019 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.476 -13.667 -0.872 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.369 -14.173 -1.886 1.00 0.00 C ATOM 714 CZ TYR A 45 3.733 -14.354 -1.809 1.00 0.00 C ATOM 715 OH TYR A 45 4.356 -15.229 -2.669 1.00 0.00 O ATOM 0 H TYR A 45 0.490 -13.362 2.381 1.00 0.00 H new ATOM 0 HA TYR A 45 3.110 -12.014 2.535 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.705 -11.668 0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.111 -10.622 0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.428 -12.254 0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.676 -13.157 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.545 -13.812 -0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.790 -14.714 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 45 3.690 -15.631 -3.265 1.00 0.00 H new ATOM 725 N PHE A 46 2.352 -10.209 4.015 1.00 0.00 N ATOM 726 CA PHE A 46 1.950 -9.120 4.901 1.00 0.00 C ATOM 727 C PHE A 46 2.775 -7.870 4.618 1.00 0.00 C ATOM 728 O PHE A 46 4.001 -7.887 4.727 1.00 0.00 O ATOM 729 CB PHE A 46 2.117 -9.541 6.362 1.00 0.00 C ATOM 730 CG PHE A 46 1.901 -8.426 7.346 1.00 0.00 C ATOM 731 CD1 PHE A 46 1.206 -7.283 6.983 1.00 0.00 C ATOM 732 CD2 PHE A 46 2.395 -8.522 8.637 1.00 0.00 C ATOM 733 CE1 PHE A 46 1.008 -6.257 7.889 1.00 0.00 C ATOM 734 CE2 PHE A 46 2.201 -7.501 9.548 1.00 0.00 C ATOM 735 CZ PHE A 46 1.506 -6.368 9.174 1.00 0.00 C ATOM 0 H PHE A 46 3.347 -10.432 4.048 1.00 0.00 H new ATOM 0 HA PHE A 46 0.900 -8.892 4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.415 -10.346 6.580 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.120 -9.946 6.501 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.814 -7.193 5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.939 -9.406 8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.466 -5.371 7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.592 -7.589 10.551 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.352 -5.569 9.884 1.00 0.00 H new ATOM 745 N LEU A 47 2.099 -6.786 4.245 1.00 0.00 N ATOM 746 CA LEU A 47 2.781 -5.534 3.939 1.00 0.00 C ATOM 747 C LEU A 47 2.391 -4.430 4.915 1.00 0.00 C ATOM 748 O LEU A 47 1.258 -3.948 4.906 1.00 0.00 O ATOM 749 CB LEU A 47 2.462 -5.091 2.508 1.00 0.00 C ATOM 750 CG LEU A 47 3.655 -5.063 1.548 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.374 -4.131 0.381 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.921 -4.637 2.276 1.00 0.00 C ATOM 0 H LEU A 47 1.084 -6.750 4.148 1.00 0.00 H new ATOM 0 HA LEU A 47 3.852 -5.712 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.704 -5.759 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.022 -4.094 2.544 1.00 0.00 H new ATOM 0 HG LEU A 47 3.807 -6.070 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.231 -4.122 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.493 -4.479 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.196 -3.123 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.756 -4.624 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.782 -3.640 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.133 -5.342 3.080 1.00 0.00 H new ATOM 764 N ARG A 48 3.345 -4.023 5.744 1.00 0.00 N ATOM 765 CA ARG A 48 3.119 -2.961 6.716 1.00 0.00 C ATOM 766 C ARG A 48 4.015 -1.769 6.401 1.00 0.00 C ATOM 767 O ARG A 48 5.235 -1.844 6.543 1.00 0.00 O ATOM 768 CB ARG A 48 3.396 -3.461 8.134 1.00 0.00 C ATOM 769 CG ARG A 48 3.261 -2.380 9.194 1.00 0.00 C ATOM 770 CD ARG A 48 4.528 -2.248 10.021 1.00 0.00 C ATOM 771 NE ARG A 48 4.402 -2.900 11.321 1.00 0.00 N ATOM 772 CZ ARG A 48 5.237 -2.695 12.333 1.00 0.00 C ATOM 773 NH1 ARG A 48 6.267 -1.870 12.190 1.00 0.00 N ATOM 774 NH2 ARG A 48 5.045 -3.316 13.488 1.00 0.00 N ATOM 0 H ARG A 48 4.287 -4.415 5.762 1.00 0.00 H new ATOM 0 HA ARG A 48 2.075 -2.652 6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.708 -4.274 8.365 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.403 -3.875 8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.037 -1.426 8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.421 -2.614 9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.364 -2.685 9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.759 -1.192 10.165 1.00 0.00 H new ATOM 0 HE ARG A 48 3.628 -3.550 11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.418 -1.392 11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.907 -1.714 12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.255 -3.952 13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.687 -3.158 14.265 1.00 0.00 H new ATOM 788 N LEU A 49 3.408 -0.674 5.956 1.00 0.00 N ATOM 789 CA LEU A 49 4.166 0.518 5.603 1.00 0.00 C ATOM 790 C LEU A 49 3.573 1.773 6.232 1.00 0.00 C ATOM 791 O LEU A 49 2.356 1.958 6.251 1.00 0.00 O ATOM 792 CB LEU A 49 4.210 0.673 4.083 1.00 0.00 C ATOM 793 CG LEU A 49 4.811 -0.516 3.329 1.00 0.00 C ATOM 794 CD1 LEU A 49 4.856 -0.234 1.837 1.00 0.00 C ATOM 795 CD2 LEU A 49 6.201 -0.837 3.856 1.00 0.00 C ATOM 0 H LEU A 49 2.399 -0.588 5.832 1.00 0.00 H new ATOM 0 HA LEU A 49 5.177 0.396 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.196 0.839 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.785 1.566 3.840 1.00 0.00 H new ATOM 0 HG LEU A 49 4.174 -1.385 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.286 -1.090 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.845 -0.057 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.469 0.648 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.611 -1.685 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.849 0.029 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.140 -1.086 4.916 1.00 0.00 H new ATOM 807 N THR A 50 4.448 2.637 6.735 1.00 0.00 N ATOM 808 CA THR A 50 4.027 3.885 7.356 1.00 0.00 C ATOM 809 C THR A 50 4.320 5.063 6.432 1.00 0.00 C ATOM 810 O THR A 50 5.479 5.397 6.186 1.00 0.00 O ATOM 811 CB THR A 50 4.736 4.112 8.704 1.00 0.00 C ATOM 812 OG1 THR A 50 5.672 3.063 8.985 1.00 0.00 O ATOM 813 CG2 THR A 50 3.729 4.176 9.842 1.00 0.00 C ATOM 0 H THR A 50 5.458 2.494 6.724 1.00 0.00 H new ATOM 0 HA THR A 50 2.954 3.814 7.535 1.00 0.00 H new ATOM 0 HB THR A 50 5.268 5.060 8.626 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.108 3.235 9.846 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.254 4.337 10.784 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.035 4.999 9.668 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.175 3.238 9.891 1.00 0.00 H new ATOM 821 N LEU A 51 3.265 5.688 5.919 1.00 0.00 N ATOM 822 CA LEU A 51 3.417 6.823 5.019 1.00 0.00 C ATOM 823 C LEU A 51 4.001 8.027 5.752 1.00 0.00 C ATOM 824 O LEU A 51 3.652 8.294 6.902 1.00 0.00 O ATOM 825 CB LEU A 51 2.071 7.191 4.396 1.00 0.00 C ATOM 826 CG LEU A 51 1.389 6.063 3.621 1.00 0.00 C ATOM 827 CD1 LEU A 51 0.010 6.495 3.149 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.248 5.635 2.441 1.00 0.00 C ATOM 0 H LEU A 51 2.298 5.427 6.111 1.00 0.00 H new ATOM 0 HA LEU A 51 4.108 6.535 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.400 7.525 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.217 8.037 3.724 1.00 0.00 H new ATOM 0 HG LEU A 51 1.270 5.210 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.459 5.679 2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.605 6.753 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.104 7.364 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.748 4.831 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.398 6.484 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.214 5.283 2.803 1.00 0.00 H new ATOM 840 N PRO A 52 4.906 8.770 5.094 1.00 0.00 N ATOM 841 CA PRO A 52 5.546 9.949 5.686 1.00 0.00 C ATOM 842 C PRO A 52 4.558 11.086 5.923 1.00 0.00 C ATOM 843 O PRO A 52 4.844 12.025 6.664 1.00 0.00 O ATOM 844 CB PRO A 52 6.591 10.370 4.642 1.00 0.00 C ATOM 845 CG PRO A 52 6.712 9.212 3.708 1.00 0.00 C ATOM 846 CD PRO A 52 5.382 8.520 3.726 1.00 0.00 C ATOM 0 HA PRO A 52 5.972 9.722 6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.276 11.270 4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.548 10.595 5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.963 9.548 2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.507 8.537 4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.702 8.930 2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.477 7.454 3.519 1.00 0.00 H new ATOM 854 N GLY A 53 3.392 10.993 5.291 1.00 0.00 N ATOM 855 CA GLY A 53 2.381 12.022 5.447 1.00 0.00 C ATOM 856 C GLY A 53 1.108 11.493 6.077 1.00 0.00 C ATOM 857 O GLY A 53 1.156 10.773 7.074 1.00 0.00 O ATOM 0 H GLY A 53 3.130 10.224 4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.780 12.828 6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.149 12.450 4.472 1.00 0.00 H new ATOM 861 N ARG A 54 -0.034 11.852 5.498 1.00 0.00 N ATOM 862 CA ARG A 54 -1.319 11.404 6.020 1.00 0.00 C ATOM 863 C ARG A 54 -2.343 11.230 4.905 1.00 0.00 C ATOM 864 O ARG A 54 -2.388 12.016 3.958 1.00 0.00 O ATOM 865 CB ARG A 54 -1.854 12.402 7.051 1.00 0.00 C ATOM 866 CG ARG A 54 -0.820 13.408 7.525 1.00 0.00 C ATOM 867 CD ARG A 54 0.069 12.819 8.606 1.00 0.00 C ATOM 868 NE ARG A 54 0.013 13.590 9.845 1.00 0.00 N ATOM 869 CZ ARG A 54 0.855 13.416 10.859 1.00 0.00 C ATOM 870 NH1 ARG A 54 1.807 12.498 10.782 1.00 0.00 N ATOM 871 NH2 ARG A 54 0.743 14.161 11.950 1.00 0.00 N ATOM 0 H ARG A 54 -0.095 12.448 4.673 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.159 10.437 6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.698 12.939 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.233 11.852 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.208 13.728 6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.323 14.296 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.236 11.792 8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.098 12.783 8.248 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.712 14.301 9.938 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.895 11.923 9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.452 12.366 11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.010 14.868 12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.389 14.027 12.728 1.00 0.00 H new ATOM 885 N ILE A 55 -3.178 10.205 5.037 1.00 0.00 N ATOM 886 CA ILE A 55 -4.221 9.936 4.058 1.00 0.00 C ATOM 887 C ILE A 55 -5.589 10.016 4.727 1.00 0.00 C ATOM 888 O ILE A 55 -5.835 9.353 5.734 1.00 0.00 O ATOM 889 CB ILE A 55 -4.048 8.544 3.415 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.727 8.471 2.643 1.00 0.00 C ATOM 891 CG2 ILE A 55 -5.220 8.230 2.496 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.483 9.661 1.740 1.00 0.00 C ATOM 0 H ILE A 55 -3.151 9.546 5.815 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.144 10.688 3.273 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.025 7.798 4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.905 8.391 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.718 7.562 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.080 7.244 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.146 8.241 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.274 8.979 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.529 9.539 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.285 9.730 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.459 10.572 2.338 1.00 0.00 H new ATOM 904 N VAL A 56 -6.467 10.848 4.180 1.00 0.00 N ATOM 905 CA VAL A 56 -7.797 11.031 4.746 1.00 0.00 C ATOM 906 C VAL A 56 -8.525 9.704 4.937 1.00 0.00 C ATOM 907 O VAL A 56 -8.415 8.795 4.113 1.00 0.00 O ATOM 908 CB VAL A 56 -8.658 11.958 3.870 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.843 11.367 2.482 1.00 0.00 C ATOM 910 CG2 VAL A 56 -10.002 12.220 4.531 1.00 0.00 C ATOM 0 H VAL A 56 -6.282 11.406 3.346 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.652 11.492 5.723 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.139 12.911 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.455 12.038 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.870 11.239 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.338 10.399 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.597 12.877 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.529 11.276 4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.845 12.695 5.500 1.00 0.00 H new ATOM 920 N GLU A 57 -9.270 9.609 6.032 1.00 0.00 N ATOM 921 CA GLU A 57 -10.029 8.404 6.349 1.00 0.00 C ATOM 922 C GLU A 57 -11.511 8.614 6.057 1.00 0.00 C ATOM 923 O GLU A 57 -12.136 9.524 6.600 1.00 0.00 O ATOM 924 CB GLU A 57 -9.835 8.023 7.820 1.00 0.00 C ATOM 925 CG GLU A 57 -9.043 9.050 8.618 1.00 0.00 C ATOM 926 CD GLU A 57 -8.409 8.460 9.862 1.00 0.00 C ATOM 927 OE1 GLU A 57 -9.140 8.227 10.847 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.181 8.232 9.851 1.00 0.00 O ATOM 0 H GLU A 57 -9.365 10.357 6.719 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.660 7.592 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.812 7.890 8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.324 7.062 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.264 9.475 7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.703 9.869 8.905 1.00 0.00 H new ATOM 935 N ASN A 58 -12.068 7.771 5.194 1.00 0.00 N ATOM 936 CA ASN A 58 -13.477 7.874 4.831 1.00 0.00 C ATOM 937 C ASN A 58 -13.939 6.631 4.079 1.00 0.00 C ATOM 938 O ASN A 58 -15.024 6.107 4.331 1.00 0.00 O ATOM 939 CB ASN A 58 -13.710 9.120 3.973 1.00 0.00 C ATOM 940 CG ASN A 58 -15.050 9.100 3.264 1.00 0.00 C ATOM 941 OD1 ASN A 58 -15.972 9.827 3.635 1.00 0.00 O ATOM 942 ND2 ASN A 58 -15.166 8.267 2.237 1.00 0.00 N ATOM 0 H ASN A 58 -11.567 7.011 4.734 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.059 7.956 5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.651 10.007 4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.913 9.201 3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.045 8.212 1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.377 7.682 1.963 1.00 0.00 H new ATOM 949 N GLY A 59 -13.108 6.166 3.152 1.00 0.00 N ATOM 950 CA GLY A 59 -13.448 4.989 2.375 1.00 0.00 C ATOM 951 C GLY A 59 -13.720 5.315 0.920 1.00 0.00 C ATOM 952 O GLY A 59 -14.297 4.505 0.194 1.00 0.00 O ATOM 0 H GLY A 59 -12.205 6.583 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.632 4.268 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.328 4.513 2.808 1.00 0.00 H new ATOM 956 N SER A 60 -13.302 6.502 0.490 1.00 0.00 N ATOM 957 CA SER A 60 -13.502 6.930 -0.889 1.00 0.00 C ATOM 958 C SER A 60 -12.243 6.690 -1.717 1.00 0.00 C ATOM 959 O SER A 60 -11.983 7.399 -2.689 1.00 0.00 O ATOM 960 CB SER A 60 -13.884 8.411 -0.936 1.00 0.00 C ATOM 961 OG SER A 60 -15.107 8.602 -1.626 1.00 0.00 O ATOM 0 H SER A 60 -12.823 7.184 1.078 1.00 0.00 H new ATOM 0 HA SER A 60 -14.315 6.341 -1.314 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.971 8.799 0.079 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.093 8.978 -1.428 1.00 0.00 H new ATOM 0 HG SER A 60 -15.329 9.556 -1.640 1.00 0.00 H new ATOM 967 N GLU A 61 -11.465 5.688 -1.321 1.00 0.00 N ATOM 968 CA GLU A 61 -10.230 5.352 -2.022 1.00 0.00 C ATOM 969 C GLU A 61 -10.526 4.696 -3.366 1.00 0.00 C ATOM 970 O GLU A 61 -11.660 4.717 -3.846 1.00 0.00 O ATOM 971 CB GLU A 61 -9.373 4.418 -1.166 1.00 0.00 C ATOM 972 CG GLU A 61 -9.995 3.048 -0.954 1.00 0.00 C ATOM 973 CD GLU A 61 -10.714 2.934 0.374 1.00 0.00 C ATOM 974 OE1 GLU A 61 -10.986 3.984 0.995 1.00 0.00 O ATOM 975 OE2 GLU A 61 -11.008 1.795 0.795 1.00 0.00 O ATOM 0 H GLU A 61 -11.668 5.094 -0.517 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.682 6.277 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.399 4.296 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.200 4.884 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.697 2.843 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.216 2.287 -1.008 1.00 0.00 H new ATOM 982 N GLN A 62 -9.495 4.112 -3.969 1.00 0.00 N ATOM 983 CA GLN A 62 -9.637 3.446 -5.257 1.00 0.00 C ATOM 984 C GLN A 62 -8.855 2.137 -5.279 1.00 0.00 C ATOM 985 O GLN A 62 -7.678 2.101 -4.920 1.00 0.00 O ATOM 986 CB GLN A 62 -9.155 4.364 -6.382 1.00 0.00 C ATOM 987 CG GLN A 62 -10.056 5.567 -6.608 1.00 0.00 C ATOM 988 CD GLN A 62 -10.343 5.812 -8.076 1.00 0.00 C ATOM 989 OE1 GLN A 62 -10.695 4.892 -8.814 1.00 0.00 O ATOM 990 NE2 GLN A 62 -10.196 7.060 -8.505 1.00 0.00 N ATOM 0 H GLN A 62 -8.551 4.087 -3.584 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.692 3.219 -5.410 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.148 4.712 -6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.089 3.790 -7.306 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.996 5.417 -6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.587 6.453 -6.180 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.902 7.791 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.377 7.288 -9.483 1.00 0.00 H new ATOM 999 N GLY A 63 -9.515 1.062 -5.696 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.862 -0.233 -5.748 1.00 0.00 C ATOM 1001 C GLY A 63 -9.086 -0.948 -7.066 1.00 0.00 C ATOM 1002 O GLY A 63 -10.198 -0.966 -7.590 1.00 0.00 O ATOM 0 H GLY A 63 -10.489 1.064 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.792 -0.103 -5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.233 -0.856 -4.934 1.00 0.00 H new ATOM 1006 N SER A 64 -8.023 -1.541 -7.599 1.00 0.00 N ATOM 1007 CA SER A 64 -8.106 -2.264 -8.860 1.00 0.00 C ATOM 1008 C SER A 64 -7.010 -3.321 -8.955 1.00 0.00 C ATOM 1009 O SER A 64 -5.821 -2.999 -8.974 1.00 0.00 O ATOM 1010 CB SER A 64 -8.001 -1.292 -10.036 1.00 0.00 C ATOM 1011 OG SER A 64 -8.109 -1.975 -11.274 1.00 0.00 O ATOM 0 H SER A 64 -7.095 -1.534 -7.176 1.00 0.00 H new ATOM 0 HA SER A 64 -9.072 -2.767 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.787 -0.540 -9.962 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.049 -0.763 -9.991 1.00 0.00 H new ATOM 0 HG SER A 64 -8.041 -1.331 -12.010 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.418 -4.584 -9.016 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.473 -5.690 -9.111 1.00 0.00 C ATOM 1019 C TYR A 65 -6.460 -6.264 -10.523 1.00 0.00 C ATOM 1020 O TYR A 65 -7.496 -6.676 -11.048 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.828 -6.785 -8.102 1.00 0.00 C ATOM 1022 CG TYR A 65 -5.791 -7.882 -8.010 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -4.470 -7.647 -8.369 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -6.134 -9.152 -7.564 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -3.520 -8.647 -8.287 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -5.190 -10.157 -7.478 1.00 0.00 C ATOM 1027 CZ TYR A 65 -3.885 -9.899 -7.842 1.00 0.00 C ATOM 1028 OH TYR A 65 -2.941 -10.897 -7.757 1.00 0.00 O ATOM 0 H TYR A 65 -8.398 -4.867 -9.001 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.478 -5.310 -8.880 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.956 -6.333 -7.118 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.787 -7.225 -8.378 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.181 -6.667 -8.718 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.156 -9.357 -7.280 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.497 -8.448 -8.570 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.472 -11.139 -7.128 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.046 -10.511 -7.862 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.283 -6.280 -11.138 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.135 -6.794 -12.494 1.00 0.00 C ATOM 1040 C ASP A 66 -4.400 -8.131 -12.500 1.00 0.00 C ATOM 1041 O ASP A 66 -3.256 -8.223 -12.056 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.380 -5.785 -13.361 1.00 0.00 C ATOM 1043 CG ASP A 66 -5.245 -5.206 -14.464 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -5.908 -4.176 -14.219 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -5.259 -5.781 -15.572 1.00 0.00 O ATOM 0 H ASP A 66 -4.417 -5.943 -10.718 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.133 -6.949 -12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.009 -4.976 -12.732 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.510 -6.270 -13.803 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.062 -9.162 -13.014 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.467 -10.491 -13.085 1.00 0.00 C ATOM 1052 C ALA A 67 -3.471 -10.570 -14.237 1.00 0.00 C ATOM 1053 O ALA A 67 -2.481 -11.298 -14.166 1.00 0.00 O ATOM 1054 CB ALA A 67 -5.536 -11.563 -13.237 1.00 0.00 C ATOM 0 H ALA A 67 -6.009 -9.103 -13.387 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.937 -10.671 -12.150 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.063 -12.544 -13.287 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.210 -11.529 -12.381 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.102 -11.386 -14.152 1.00 0.00 H new ATOM 1060 N ASP A 68 -3.746 -9.819 -15.298 1.00 0.00 N ATOM 1061 CA ASP A 68 -2.876 -9.806 -16.468 1.00 0.00 C ATOM 1062 C ASP A 68 -1.439 -9.509 -16.057 1.00 0.00 C ATOM 1063 O ASP A 68 -0.525 -10.277 -16.360 1.00 0.00 O ATOM 1064 CB ASP A 68 -3.358 -8.756 -17.471 1.00 0.00 C ATOM 1065 CG ASP A 68 -2.708 -8.910 -18.832 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -1.478 -8.720 -18.928 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -3.431 -9.220 -19.802 1.00 0.00 O ATOM 0 H ASP A 68 -4.563 -9.213 -15.372 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.911 -10.789 -16.937 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.440 -8.831 -17.578 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.145 -7.761 -17.081 1.00 0.00 H new ATOM 1072 N LYS A 69 -1.246 -8.393 -15.361 1.00 0.00 N ATOM 1073 CA LYS A 69 0.079 -7.998 -14.901 1.00 0.00 C ATOM 1074 C LYS A 69 0.353 -8.546 -13.505 1.00 0.00 C ATOM 1075 O LYS A 69 1.470 -8.449 -12.996 1.00 0.00 O ATOM 1076 CB LYS A 69 0.209 -6.472 -14.897 1.00 0.00 C ATOM 1077 CG LYS A 69 -0.563 -5.799 -13.773 1.00 0.00 C ATOM 1078 CD LYS A 69 -1.280 -4.550 -14.258 1.00 0.00 C ATOM 1079 CE LYS A 69 -1.726 -3.677 -13.095 1.00 0.00 C ATOM 1080 NZ LYS A 69 -0.882 -2.458 -12.957 1.00 0.00 N ATOM 0 H LYS A 69 -1.992 -7.746 -15.103 1.00 0.00 H new ATOM 0 HA LYS A 69 0.815 -8.415 -15.589 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.263 -6.206 -14.813 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.143 -6.083 -15.852 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.289 -6.499 -13.359 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.122 -5.536 -12.967 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.619 -3.979 -14.910 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.147 -4.835 -14.854 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.766 -3.384 -13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.683 -4.254 -12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.220 -1.891 -12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.106 -2.737 -12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.942 -1.893 -13.828 1.00 0.00 H new ATOM 1094 N GLY A 70 -0.675 -9.125 -12.889 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.525 -9.680 -11.558 1.00 0.00 C ATOM 1096 C GLY A 70 -0.023 -8.659 -10.557 1.00 0.00 C ATOM 1097 O GLY A 70 0.957 -8.900 -9.853 1.00 0.00 O ATOM 0 H GLY A 70 -1.608 -9.219 -13.290 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.484 -10.073 -11.221 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.169 -10.520 -11.594 1.00 0.00 H new ATOM 1101 N ILE A 71 -0.697 -7.515 -10.491 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.318 -6.453 -9.567 1.00 0.00 C ATOM 1103 C ILE A 71 -1.554 -5.717 -9.064 1.00 0.00 C ATOM 1104 O ILE A 71 -2.528 -5.547 -9.799 1.00 0.00 O ATOM 1105 CB ILE A 71 0.638 -5.446 -10.236 1.00 0.00 C ATOM 1106 CG1 ILE A 71 1.928 -6.147 -10.668 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.942 -4.294 -9.290 1.00 0.00 C ATOM 1108 CD1 ILE A 71 2.811 -5.297 -11.555 1.00 0.00 C ATOM 0 H ILE A 71 -1.510 -7.300 -11.068 1.00 0.00 H new ATOM 0 HA ILE A 71 0.196 -6.918 -8.726 1.00 0.00 H new ATOM 0 HB ILE A 71 0.153 -5.040 -11.124 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.490 -6.436 -9.780 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.673 -7.066 -11.196 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.618 -3.592 -9.777 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.015 -3.783 -9.029 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.411 -4.680 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.707 -5.858 -11.822 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.267 -5.030 -12.461 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.096 -4.390 -11.022 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.518 -5.286 -7.807 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.647 -4.577 -7.215 1.00 0.00 C ATOM 1122 C PHE A 72 -2.302 -3.116 -6.947 1.00 0.00 C ATOM 1123 O PHE A 72 -1.336 -2.810 -6.247 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.079 -5.267 -5.918 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.839 -4.374 -4.978 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -4.759 -3.458 -5.463 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.631 -4.450 -3.611 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.458 -2.635 -4.601 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.328 -3.630 -2.744 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.242 -2.721 -3.239 1.00 0.00 C ATOM 0 H PHE A 72 -0.723 -5.414 -7.181 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.474 -4.602 -7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.698 -6.129 -6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.194 -5.646 -5.407 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.931 -3.387 -6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.916 -5.158 -3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.172 -1.925 -4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.158 -3.700 -1.680 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.787 -2.079 -2.563 1.00 0.00 H new ATOM 1140 N THR A 73 -3.105 -2.218 -7.507 1.00 0.00 N ATOM 1141 CA THR A 73 -2.901 -0.786 -7.334 1.00 0.00 C ATOM 1142 C THR A 73 -4.084 -0.154 -6.609 1.00 0.00 C ATOM 1143 O THR A 73 -5.239 -0.384 -6.970 1.00 0.00 O ATOM 1144 CB THR A 73 -2.708 -0.080 -8.688 1.00 0.00 C ATOM 1145 OG1 THR A 73 -2.830 -1.001 -9.779 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.339 0.581 -8.770 1.00 0.00 C ATOM 0 H THR A 73 -3.908 -2.460 -8.088 1.00 0.00 H new ATOM 0 HA THR A 73 -1.998 -0.661 -6.737 1.00 0.00 H new ATOM 0 HB THR A 73 -3.489 0.677 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.704 -0.524 -10.626 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.229 1.072 -9.737 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.244 1.320 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.562 -0.175 -8.657 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.795 0.641 -5.583 1.00 0.00 N ATOM 1155 CA ILE A 74 -4.847 1.298 -4.814 1.00 0.00 C ATOM 1156 C ILE A 74 -4.469 2.733 -4.459 1.00 0.00 C ATOM 1157 O ILE A 74 -3.483 2.971 -3.761 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.153 0.522 -3.516 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.170 1.281 -2.662 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -3.874 0.278 -2.730 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.481 0.546 -2.485 1.00 0.00 C ATOM 0 H ILE A 74 -2.847 0.845 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.736 1.313 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.584 -0.443 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.736 1.474 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.366 2.250 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.107 -0.270 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.180 -0.304 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.417 1.234 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.153 1.144 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.937 0.376 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.298 -0.412 -1.998 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.264 3.686 -4.941 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.020 5.100 -4.671 1.00 0.00 C ATOM 1175 C ARG A 75 -5.744 5.532 -3.402 1.00 0.00 C ATOM 1176 O ARG A 75 -6.811 5.011 -3.076 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.466 5.958 -5.859 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.247 5.289 -7.209 1.00 0.00 C ATOM 1179 CD ARG A 75 -4.991 6.310 -8.308 1.00 0.00 C ATOM 1180 NE ARG A 75 -5.823 7.500 -8.160 1.00 0.00 N ATOM 1181 CZ ARG A 75 -5.797 8.528 -9.004 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -4.993 8.505 -10.059 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -6.576 9.580 -8.794 1.00 0.00 N ATOM 0 H ARG A 75 -6.083 3.504 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.949 5.243 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.524 6.196 -5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.923 6.903 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.401 4.605 -7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.121 4.691 -7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.940 6.600 -8.295 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.184 5.853 -9.278 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.460 7.546 -7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.392 7.697 -10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.976 9.295 -10.704 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.196 9.602 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.555 10.368 -9.442 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.149 6.472 -2.676 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.731 6.951 -1.430 1.00 0.00 C ATOM 1199 C LEU A 76 -5.680 8.473 -1.329 1.00 0.00 C ATOM 1200 O LEU A 76 -4.637 9.086 -1.547 1.00 0.00 O ATOM 1201 CB LEU A 76 -4.988 6.326 -0.251 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.797 4.811 -0.342 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.530 4.386 0.385 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -6.009 4.086 0.225 1.00 0.00 C ATOM 0 H LEU A 76 -4.266 6.916 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.780 6.655 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.009 6.797 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.532 6.555 0.665 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.695 4.540 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.412 3.305 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.669 4.878 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.600 4.670 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.856 3.009 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.143 4.364 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.898 4.365 -0.341 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.815 9.102 -0.982 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.900 10.560 -0.838 1.00 0.00 C ATOM 1218 C PRO A 77 -6.073 11.067 0.339 1.00 0.00 C ATOM 1219 O PRO A 77 -5.974 10.406 1.375 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.391 10.811 -0.595 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.912 9.526 -0.049 1.00 0.00 C ATOM 1222 CD PRO A 77 -8.098 8.439 -0.694 1.00 0.00 C ATOM 0 HA PRO A 77 -6.508 11.082 -1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.544 11.630 0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.901 11.084 -1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.813 9.495 1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.971 9.407 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.969 7.585 -0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.572 8.067 -1.603 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.476 12.242 0.178 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.652 12.828 1.227 1.00 0.00 C ATOM 1232 C LYS A 78 -5.483 13.677 2.182 1.00 0.00 C ATOM 1233 O LYS A 78 -6.553 14.169 1.826 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.536 13.672 0.612 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.330 12.855 0.183 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.169 13.742 -0.234 1.00 0.00 C ATOM 1237 CE LYS A 78 0.075 12.920 -0.530 1.00 0.00 C ATOM 1238 NZ LYS A 78 0.141 12.507 -1.960 1.00 0.00 N ATOM 0 H LYS A 78 -5.547 12.807 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.212 12.011 1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.929 14.207 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.218 14.423 1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.018 12.209 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.607 12.205 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.447 14.317 -1.118 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.954 14.459 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.962 13.501 -0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.084 12.034 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.114 12.225 -2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.500 11.704 -2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.144 13.303 -2.565 1.00 0.00 H new ATOM 1252 N GLU A 79 -4.970 13.852 3.396 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.649 14.653 4.407 1.00 0.00 C ATOM 1254 C GLU A 79 -5.250 16.118 4.271 1.00 0.00 C ATOM 1255 O GLU A 79 -5.926 17.010 4.782 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.305 14.142 5.809 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.615 15.140 6.913 1.00 0.00 C ATOM 1258 CD GLU A 79 -5.786 14.476 8.267 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -6.572 13.509 8.358 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -5.135 14.923 9.234 1.00 0.00 O ATOM 0 H GLU A 79 -4.085 13.449 3.703 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.725 14.565 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.858 13.222 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.245 13.890 5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.811 15.874 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.525 15.684 6.661 1.00 0.00 H new ATOM 1267 N THR A 80 -4.147 16.352 3.566 1.00 0.00 N ATOM 1268 CA THR A 80 -3.647 17.701 3.341 1.00 0.00 C ATOM 1269 C THR A 80 -3.223 17.879 1.887 1.00 0.00 C ATOM 1270 O THR A 80 -2.335 17.180 1.399 1.00 0.00 O ATOM 1271 CB THR A 80 -2.448 18.019 4.254 1.00 0.00 C ATOM 1272 OG1 THR A 80 -2.853 18.149 5.623 1.00 0.00 O ATOM 1273 CG2 THR A 80 -1.772 19.314 3.827 1.00 0.00 C ATOM 0 H THR A 80 -3.581 15.619 3.139 1.00 0.00 H new ATOM 0 HA THR A 80 -4.460 18.388 3.576 1.00 0.00 H new ATOM 0 HB THR A 80 -1.750 17.187 4.162 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.071 18.349 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.928 19.518 4.486 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.416 19.218 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.487 20.135 3.888 1.00 0.00 H new ATOM 1281 N PRO A 81 -3.860 18.817 1.172 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.553 19.083 -0.235 1.00 0.00 C ATOM 1283 C PRO A 81 -2.155 19.662 -0.428 1.00 0.00 C ATOM 1284 O PRO A 81 -1.677 20.446 0.392 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.617 20.103 -0.650 1.00 0.00 C ATOM 1286 CG PRO A 81 -5.045 20.748 0.623 1.00 0.00 C ATOM 1287 CD PRO A 81 -4.932 19.688 1.681 1.00 0.00 C ATOM 0 HA PRO A 81 -3.566 18.170 -0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.211 20.836 -1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.456 19.618 -1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.413 21.604 0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.068 21.118 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.678 20.114 2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.868 19.143 1.807 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.507 19.269 -1.520 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.172 19.757 -1.810 1.00 0.00 C ATOM 1297 C GLY A 82 0.907 18.976 -1.083 1.00 0.00 C ATOM 1298 O GLY A 82 2.091 19.294 -1.193 1.00 0.00 O ATOM 0 H GLY A 82 -1.884 18.620 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.006 19.701 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.105 20.808 -1.530 1.00 0.00 H new ATOM 1302 N GLN A 83 0.500 17.950 -0.343 1.00 0.00 N ATOM 1303 CA GLN A 83 1.444 17.123 0.398 1.00 0.00 C ATOM 1304 C GLN A 83 2.075 16.076 -0.511 1.00 0.00 C ATOM 1305 O GLN A 83 1.375 15.351 -1.218 1.00 0.00 O ATOM 1306 CB GLN A 83 0.745 16.439 1.573 1.00 0.00 C ATOM 1307 CG GLN A 83 1.577 16.421 2.841 1.00 0.00 C ATOM 1308 CD GLN A 83 0.905 15.664 3.970 1.00 0.00 C ATOM 1309 OE1 GLN A 83 0.966 14.436 4.032 1.00 0.00 O ATOM 1310 NE2 GLN A 83 0.258 16.396 4.870 1.00 0.00 N ATOM 0 H GLN A 83 -0.476 17.672 -0.241 1.00 0.00 H new ATOM 0 HA GLN A 83 2.232 17.770 0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.197 16.949 1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.500 15.414 1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.545 15.966 2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.769 17.446 3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.233 17.412 4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.214 15.942 5.652 1.00 0.00 H new ATOM 1319 N HIS A 84 3.401 16.003 -0.490 1.00 0.00 N ATOM 1320 CA HIS A 84 4.124 15.046 -1.319 1.00 0.00 C ATOM 1321 C HIS A 84 5.032 14.159 -0.473 1.00 0.00 C ATOM 1322 O HIS A 84 5.917 14.649 0.227 1.00 0.00 O ATOM 1323 CB HIS A 84 4.954 15.783 -2.369 1.00 0.00 C ATOM 1324 CG HIS A 84 5.406 14.907 -3.494 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.724 14.545 -3.683 1.00 0.00 N ATOM 1326 CD2 HIS A 84 4.709 14.318 -4.493 1.00 0.00 C ATOM 1327 CE1 HIS A 84 6.817 13.771 -4.750 1.00 0.00 C ATOM 1328 NE2 HIS A 84 5.607 13.618 -5.259 1.00 0.00 N ATOM 0 H HIS A 84 3.996 16.594 0.091 1.00 0.00 H new ATOM 0 HA HIS A 84 3.391 14.410 -1.816 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.365 16.606 -2.774 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.828 16.222 -1.887 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.644 14.386 -4.657 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.726 13.338 -5.139 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.378 13.069 -6.087 1.00 0.00 H new ATOM 1337 N PHE A 85 4.809 12.850 -0.546 1.00 0.00 N ATOM 1338 CA PHE A 85 5.608 11.897 0.207 1.00 0.00 C ATOM 1339 C PHE A 85 6.900 11.582 -0.543 1.00 0.00 C ATOM 1340 O PHE A 85 6.945 10.665 -1.363 1.00 0.00 O ATOM 1341 CB PHE A 85 4.815 10.609 0.431 1.00 0.00 C ATOM 1342 CG PHE A 85 3.504 10.796 1.148 1.00 0.00 C ATOM 1343 CD1 PHE A 85 3.045 12.060 1.496 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.725 9.696 1.470 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.838 12.218 2.148 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.518 9.849 2.124 1.00 0.00 C ATOM 1347 CZ PHE A 85 1.073 11.111 2.463 1.00 0.00 C ATOM 0 H PHE A 85 4.080 12.428 -1.121 1.00 0.00 H new ATOM 0 HA PHE A 85 5.856 12.337 1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.622 10.144 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.430 9.914 1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.639 12.929 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.066 8.706 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.492 13.206 2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.923 8.982 2.370 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.129 11.233 2.973 1.00 0.00 H new ATOM 1357 N GLU A 86 7.942 12.361 -0.273 1.00 0.00 N ATOM 1358 CA GLU A 86 9.228 12.182 -0.938 1.00 0.00 C ATOM 1359 C GLU A 86 9.886 10.853 -0.570 1.00 0.00 C ATOM 1360 O GLU A 86 9.536 10.222 0.426 1.00 0.00 O ATOM 1361 CB GLU A 86 10.164 13.340 -0.586 1.00 0.00 C ATOM 1362 CG GLU A 86 10.355 14.333 -1.719 1.00 0.00 C ATOM 1363 CD GLU A 86 11.348 15.426 -1.375 1.00 0.00 C ATOM 1364 OE1 GLU A 86 12.563 15.207 -1.568 1.00 0.00 O ATOM 1365 OE2 GLU A 86 10.913 16.501 -0.915 1.00 0.00 O ATOM 0 H GLU A 86 7.921 13.124 0.403 1.00 0.00 H new ATOM 0 HA GLU A 86 9.042 12.171 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.768 13.865 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.135 12.937 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.697 13.803 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.395 14.785 -1.967 1.00 0.00 H new ATOM 1372 N GLY A 87 10.856 10.450 -1.388 1.00 0.00 N ATOM 1373 CA GLY A 87 11.583 9.212 -1.156 1.00 0.00 C ATOM 1374 C GLY A 87 10.729 8.109 -0.562 1.00 0.00 C ATOM 1375 O GLY A 87 11.117 7.484 0.425 1.00 0.00 O ATOM 0 H GLY A 87 11.154 10.965 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.004 8.866 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.420 9.412 -0.487 1.00 0.00 H new ATOM 1379 N LEU A 88 9.567 7.862 -1.156 1.00 0.00 N ATOM 1380 CA LEU A 88 8.671 6.820 -0.666 1.00 0.00 C ATOM 1381 C LEU A 88 9.349 5.454 -0.709 1.00 0.00 C ATOM 1382 O LEU A 88 9.533 4.814 0.326 1.00 0.00 O ATOM 1383 CB LEU A 88 7.388 6.796 -1.492 1.00 0.00 C ATOM 1384 CG LEU A 88 6.131 7.252 -0.750 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.000 7.519 -1.731 1.00 0.00 C ATOM 1386 CD2 LEU A 88 5.714 6.214 0.281 1.00 0.00 C ATOM 0 H LEU A 88 9.224 8.366 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 88 8.422 7.046 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.525 7.431 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.228 5.781 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 88 6.357 8.181 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.114 7.842 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.301 8.300 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.774 6.606 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.818 6.555 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.506 5.268 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.519 6.074 1.002 1.00 0.00 H new ATOM 1398 N ASN A 89 9.729 5.011 -1.908 1.00 0.00 N ATOM 1399 CA ASN A 89 10.396 3.721 -2.067 1.00 0.00 C ATOM 1400 C ASN A 89 11.900 3.862 -1.843 1.00 0.00 C ATOM 1401 O ASN A 89 12.673 2.954 -2.142 1.00 0.00 O ATOM 1402 CB ASN A 89 10.124 3.147 -3.457 1.00 0.00 C ATOM 1403 CG ASN A 89 9.578 1.732 -3.401 1.00 0.00 C ATOM 1404 OD1 ASN A 89 9.119 1.273 -2.355 1.00 0.00 O ATOM 1405 ND2 ASN A 89 9.625 1.033 -4.528 1.00 0.00 N ATOM 0 H ASN A 89 9.587 5.524 -2.778 1.00 0.00 H new ATOM 0 HA ASN A 89 9.996 3.036 -1.320 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.413 3.788 -3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.047 3.155 -4.038 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.272 0.076 -4.550 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.014 1.453 -5.372 1.00 0.00 H new