USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 15 SER OG : rot 58:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl -179:sc= -1.04 (180deg=-1.05) USER MOD Set 2.1: A 17 MET CE :methyl 160:sc= -0.0826 (180deg=-0.485) USER MOD Set 2.2: A 62 TYR OH : rot 119:sc= -4.69! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.6 K(o=-1.6,f=-7.1!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.126 F(o=-3.2!,f=-0.13) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.729 K(o=-0.73,f=-7.1!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0924 X(o=-0.092,f=-0.003) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot -108:sc= -3.08! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.000627 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0.867 (180deg=0.665) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.235 F(o=-2.4!,f=-0.23) USER MOD Single : A 73 GLN : amide:sc= -0.0515 K(o=-0.052,f=-0.73) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -6:sc= -0.751 USER MOD Single : A 83 LYS NZ :NH3+ 147:sc= 1.29 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.056 -6.329 6.087 1.00 0.00 N ATOM 93 CA TYR A 7 6.839 -5.613 6.400 1.00 0.00 C ATOM 94 C TYR A 7 5.669 -6.556 6.626 1.00 0.00 C ATOM 95 O TYR A 7 5.661 -7.695 6.153 1.00 0.00 O ATOM 96 CB TYR A 7 6.522 -4.590 5.303 1.00 0.00 C ATOM 97 CG TYR A 7 6.004 -5.165 4.006 1.00 0.00 C ATOM 98 CD1 TYR A 7 4.678 -5.536 3.888 1.00 0.00 C ATOM 99 CD2 TYR A 7 6.823 -5.302 2.896 1.00 0.00 C ATOM 100 CE1 TYR A 7 4.176 -6.029 2.707 1.00 0.00 C ATOM 101 CE2 TYR A 7 6.326 -5.802 1.706 1.00 0.00 C ATOM 102 CZ TYR A 7 4.997 -6.163 1.620 1.00 0.00 C ATOM 103 OH TYR A 7 4.488 -6.654 0.439 1.00 0.00 O ATOM 0 HA TYR A 7 7.001 -5.077 7.336 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.784 -3.887 5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.426 -4.019 5.091 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.023 -5.437 4.741 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.862 -5.015 2.961 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.136 -6.310 2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.974 -5.909 0.849 1.00 0.00 H new ATOM 0 HH TYR A 7 5.199 -6.686 -0.235 1.00 0.00 H new ATOM 113 N GLN A 8 4.689 -6.075 7.375 1.00 0.00 N ATOM 114 CA GLN A 8 3.507 -6.853 7.670 1.00 0.00 C ATOM 115 C GLN A 8 2.290 -6.125 7.153 1.00 0.00 C ATOM 116 O GLN A 8 2.155 -4.912 7.329 1.00 0.00 O ATOM 117 CB GLN A 8 3.317 -7.103 9.170 1.00 0.00 C ATOM 118 CG GLN A 8 4.471 -7.799 9.877 1.00 0.00 C ATOM 119 CD GLN A 8 5.574 -6.844 10.300 1.00 0.00 C ATOM 120 OE1 GLN A 8 5.478 -6.195 11.343 1.00 0.00 O ATOM 121 NE2 GLN A 8 6.650 -6.792 9.532 1.00 0.00 N ATOM 0 H GLN A 8 4.694 -5.143 7.790 1.00 0.00 H new ATOM 0 HA GLN A 8 3.634 -7.820 7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.141 -6.145 9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.417 -7.702 9.308 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.090 -8.318 10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.889 -8.558 9.216 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.692 -7.344 8.675 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.437 -6.200 9.796 1.00 0.00 H new ATOM 130 N ILE A 9 1.429 -6.858 6.501 1.00 0.00 N ATOM 131 CA ILE A 9 0.163 -6.330 6.053 1.00 0.00 C ATOM 132 C ILE A 9 -0.953 -6.782 6.978 1.00 0.00 C ATOM 133 O ILE A 9 -1.261 -7.969 7.071 1.00 0.00 O ATOM 134 CB ILE A 9 -0.140 -6.758 4.612 1.00 0.00 C ATOM 135 CG1 ILE A 9 0.932 -6.178 3.697 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.535 -6.312 4.197 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.623 -6.292 2.230 1.00 0.00 C ATOM 0 H ILE A 9 1.582 -7.838 6.264 1.00 0.00 H new ATOM 0 HA ILE A 9 0.227 -5.242 6.076 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.122 -7.845 4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.075 -5.126 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.876 -6.684 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.728 -6.627 3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.273 -6.763 4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.604 -5.226 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.437 -5.855 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.511 -7.343 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.303 -5.761 2.011 1.00 0.00 H new ATOM 149 N GLU A 10 -1.538 -5.826 7.663 1.00 0.00 N ATOM 150 CA GLU A 10 -2.583 -6.097 8.625 1.00 0.00 C ATOM 151 C GLU A 10 -3.916 -5.606 8.085 1.00 0.00 C ATOM 152 O GLU A 10 -3.966 -4.692 7.252 1.00 0.00 O ATOM 153 CB GLU A 10 -2.246 -5.410 9.951 1.00 0.00 C ATOM 154 CG GLU A 10 -2.338 -3.891 9.911 1.00 0.00 C ATOM 155 CD GLU A 10 -1.685 -3.240 11.112 1.00 0.00 C ATOM 156 OE1 GLU A 10 -2.360 -3.073 12.149 1.00 0.00 O ATOM 157 OE2 GLU A 10 -0.484 -2.899 11.030 1.00 0.00 O ATOM 0 H GLU A 10 -1.303 -4.838 7.569 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.657 -7.171 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.921 -5.783 10.722 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.236 -5.693 10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.864 -3.525 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.386 -3.595 9.866 1.00 0.00 H new ATOM 164 N GLN A 11 -4.992 -6.226 8.530 1.00 0.00 N ATOM 165 CA GLN A 11 -6.315 -5.828 8.101 1.00 0.00 C ATOM 166 C GLN A 11 -6.748 -4.566 8.816 1.00 0.00 C ATOM 167 O GLN A 11 -6.729 -4.478 10.042 1.00 0.00 O ATOM 168 CB GLN A 11 -7.316 -6.966 8.321 1.00 0.00 C ATOM 169 CG GLN A 11 -8.780 -6.530 8.401 1.00 0.00 C ATOM 170 CD GLN A 11 -9.426 -6.220 7.057 1.00 0.00 C ATOM 171 OE1 GLN A 11 -8.641 -5.791 6.084 1.00 0.00 O flip ATOM 172 NE2 GLN A 11 -10.632 -6.372 6.894 1.00 0.00 N flip ATOM 0 H GLN A 11 -4.974 -7.006 9.187 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.286 -5.612 7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.210 -7.685 7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.056 -7.486 9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.353 -7.317 8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.847 -5.645 9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.213 -6.705 7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.054 -6.166 5.989 1.00 0.00 H new ATOM 181 N LEU A 12 -7.143 -3.598 8.015 1.00 0.00 N ATOM 182 CA LEU A 12 -7.457 -2.272 8.498 1.00 0.00 C ATOM 183 C LEU A 12 -8.851 -2.229 9.108 1.00 0.00 C ATOM 184 O LEU A 12 -9.042 -1.727 10.216 1.00 0.00 O ATOM 185 CB LEU A 12 -7.354 -1.310 7.335 1.00 0.00 C ATOM 186 CG LEU A 12 -7.132 0.152 7.687 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.606 0.319 9.111 1.00 0.00 C ATOM 188 CD2 LEU A 12 -6.137 0.719 6.710 1.00 0.00 C ATOM 0 H LEU A 12 -7.255 -3.711 7.007 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.754 -1.990 9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.535 -1.635 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.269 -1.385 6.747 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.084 0.679 7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.461 1.378 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.326 -0.097 9.816 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.656 -0.205 9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.959 1.769 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.200 0.167 6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.531 0.631 5.697 1.00 0.00 H new ATOM 200 N GLY A 13 -9.818 -2.766 8.383 1.00 0.00 N ATOM 201 CA GLY A 13 -11.175 -2.792 8.862 1.00 0.00 C ATOM 202 C GLY A 13 -12.145 -2.984 7.724 1.00 0.00 C ATOM 203 O GLY A 13 -12.412 -2.046 6.972 1.00 0.00 O ATOM 0 H GLY A 13 -9.682 -3.187 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.294 -3.598 9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.399 -1.861 9.382 1.00 0.00 H new ATOM 207 N ASP A 14 -12.619 -4.218 7.570 1.00 0.00 N ATOM 208 CA ASP A 14 -13.618 -4.572 6.559 1.00 0.00 C ATOM 209 C ASP A 14 -13.041 -4.596 5.148 1.00 0.00 C ATOM 210 O ASP A 14 -12.994 -5.646 4.508 1.00 0.00 O ATOM 211 CB ASP A 14 -14.818 -3.632 6.607 1.00 0.00 C ATOM 212 CG ASP A 14 -15.706 -3.869 7.809 1.00 0.00 C ATOM 213 OD1 ASP A 14 -16.503 -4.831 7.784 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.615 -3.095 8.787 1.00 0.00 O ATOM 0 H ASP A 14 -12.321 -5.006 8.145 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.946 -5.582 6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.465 -2.601 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.406 -3.755 5.698 1.00 0.00 H new ATOM 219 N SER A 15 -12.597 -3.449 4.659 1.00 0.00 N ATOM 220 CA SER A 15 -12.175 -3.347 3.270 1.00 0.00 C ATOM 221 C SER A 15 -11.096 -2.288 3.082 1.00 0.00 C ATOM 222 O SER A 15 -11.268 -1.325 2.337 1.00 0.00 O ATOM 223 CB SER A 15 -13.382 -3.051 2.384 1.00 0.00 C ATOM 224 OG SER A 15 -14.175 -2.007 2.928 1.00 0.00 O ATOM 0 H SER A 15 -12.520 -2.585 5.195 1.00 0.00 H new ATOM 0 HA SER A 15 -11.740 -4.303 2.978 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.044 -2.772 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.986 -3.952 2.276 1.00 0.00 H new ATOM 0 HG SER A 15 -13.628 -1.200 3.030 1.00 0.00 H new ATOM 230 N ALA A 16 -9.985 -2.485 3.762 1.00 0.00 N ATOM 231 CA ALA A 16 -8.828 -1.616 3.633 1.00 0.00 C ATOM 232 C ALA A 16 -7.609 -2.356 4.150 1.00 0.00 C ATOM 233 O ALA A 16 -7.741 -3.270 4.970 1.00 0.00 O ATOM 234 CB ALA A 16 -9.036 -0.311 4.393 1.00 0.00 C ATOM 0 H ALA A 16 -9.856 -3.253 4.421 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.682 -1.356 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.155 0.321 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.908 0.207 3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.194 -0.527 5.450 1.00 0.00 H new ATOM 240 N MET A 17 -6.430 -1.992 3.676 1.00 0.00 N ATOM 241 CA MET A 17 -5.220 -2.691 4.096 1.00 0.00 C ATOM 242 C MET A 17 -4.234 -1.735 4.746 1.00 0.00 C ATOM 243 O MET A 17 -4.056 -0.605 4.295 1.00 0.00 O ATOM 244 CB MET A 17 -4.573 -3.432 2.911 1.00 0.00 C ATOM 245 CG MET A 17 -3.191 -2.926 2.517 1.00 0.00 C ATOM 246 SD MET A 17 -2.272 -4.102 1.503 1.00 0.00 S ATOM 247 CE MET A 17 -3.261 -4.147 0.014 1.00 0.00 C ATOM 0 H MET A 17 -6.281 -1.232 3.012 1.00 0.00 H new ATOM 0 HA MET A 17 -5.504 -3.434 4.842 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.499 -4.491 3.160 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.233 -3.353 2.047 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.295 -1.988 1.971 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.619 -2.708 3.419 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.660 -4.530 -0.811 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.122 -4.798 0.168 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.605 -3.141 -0.225 1.00 0.00 H new ATOM 257 N MET A 18 -3.612 -2.184 5.823 1.00 0.00 N ATOM 258 CA MET A 18 -2.603 -1.379 6.488 1.00 0.00 C ATOM 259 C MET A 18 -1.300 -2.142 6.586 1.00 0.00 C ATOM 260 O MET A 18 -1.246 -3.249 7.105 1.00 0.00 O ATOM 261 CB MET A 18 -3.081 -0.940 7.866 1.00 0.00 C ATOM 262 CG MET A 18 -2.119 -0.017 8.596 1.00 0.00 C ATOM 263 SD MET A 18 -2.804 0.589 10.152 1.00 0.00 S ATOM 264 CE MET A 18 -1.535 1.745 10.658 1.00 0.00 C ATOM 0 H MET A 18 -3.786 -3.093 6.252 1.00 0.00 H new ATOM 0 HA MET A 18 -2.431 -0.482 5.893 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.041 -0.435 7.761 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.252 -1.826 8.478 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.188 -0.548 8.793 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.873 0.830 7.955 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.816 2.202 11.607 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.588 1.218 10.776 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.426 2.521 9.900 1.00 0.00 H new ATOM 274 N ILE A 19 -0.262 -1.541 6.064 1.00 0.00 N ATOM 275 CA ILE A 19 1.037 -2.175 6.001 1.00 0.00 C ATOM 276 C ILE A 19 2.037 -1.406 6.846 1.00 0.00 C ATOM 277 O ILE A 19 1.972 -0.187 6.926 1.00 0.00 O ATOM 278 CB ILE A 19 1.541 -2.221 4.546 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.473 -2.803 3.634 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.800 -3.054 4.444 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.531 -2.254 2.227 1.00 0.00 C ATOM 0 H ILE A 19 -0.289 -0.600 5.670 1.00 0.00 H new ATOM 0 HA ILE A 19 0.939 -3.191 6.384 1.00 0.00 H new ATOM 0 HB ILE A 19 1.764 -1.201 4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.584 -3.887 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.510 -2.597 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.140 -3.074 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.577 -2.618 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.592 -4.071 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.257 -2.709 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.390 -1.173 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.501 -2.483 1.787 1.00 0.00 H new ATOM 293 N ARG A 20 2.946 -2.118 7.478 1.00 0.00 N ATOM 294 CA ARG A 20 4.034 -1.479 8.202 1.00 0.00 C ATOM 295 C ARG A 20 5.341 -2.192 7.871 1.00 0.00 C ATOM 296 O ARG A 20 5.391 -3.421 7.861 1.00 0.00 O ATOM 297 CB ARG A 20 3.774 -1.480 9.723 1.00 0.00 C ATOM 298 CG ARG A 20 4.232 -2.737 10.452 1.00 0.00 C ATOM 299 CD ARG A 20 3.365 -3.946 10.140 1.00 0.00 C ATOM 300 NE ARG A 20 2.133 -3.983 10.915 1.00 0.00 N ATOM 301 CZ ARG A 20 1.991 -4.662 12.054 1.00 0.00 C ATOM 302 NH1 ARG A 20 3.004 -5.370 12.548 1.00 0.00 N ATOM 303 NH2 ARG A 20 0.829 -4.641 12.689 1.00 0.00 N ATOM 0 H ARG A 20 2.957 -3.138 7.508 1.00 0.00 H new ATOM 0 HA ARG A 20 4.102 -0.437 7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.277 -0.619 10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.706 -1.347 9.894 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.264 -2.955 10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.219 -2.554 11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.119 -3.944 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.936 -4.854 10.333 1.00 0.00 H new ATOM 0 HE ARG A 20 1.331 -3.458 10.566 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.897 -5.396 12.055 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.888 -5.887 13.420 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.048 -4.107 12.307 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.715 -5.158 13.561 1.00 0.00 H new ATOM 317 N PHE A 21 6.378 -1.432 7.557 1.00 0.00 N ATOM 318 CA PHE A 21 7.681 -2.015 7.257 1.00 0.00 C ATOM 319 C PHE A 21 8.570 -1.940 8.492 1.00 0.00 C ATOM 320 O PHE A 21 8.092 -2.015 9.623 1.00 0.00 O ATOM 321 CB PHE A 21 8.377 -1.279 6.101 1.00 0.00 C ATOM 322 CG PHE A 21 7.622 -1.245 4.793 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.439 -0.532 4.661 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.124 -1.902 3.680 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.774 -0.477 3.454 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.459 -1.857 2.468 1.00 0.00 C ATOM 327 CZ PHE A 21 6.282 -1.142 2.357 1.00 0.00 C ATOM 0 H PHE A 21 6.346 -0.414 7.503 1.00 0.00 H new ATOM 0 HA PHE A 21 7.521 -3.052 6.962 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.571 -0.253 6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.345 -1.748 5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.033 -0.012 5.516 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.047 -2.457 3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.856 0.086 3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.859 -2.379 1.611 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.760 -1.104 1.412 1.00 0.00 H new ATOM 422 N GLN A 28 15.437 2.006 3.492 1.00 0.00 N ATOM 423 CA GLN A 28 14.640 1.475 2.389 1.00 0.00 C ATOM 424 C GLN A 28 13.189 1.909 2.537 1.00 0.00 C ATOM 425 O GLN A 28 12.616 2.512 1.631 1.00 0.00 O ATOM 426 CB GLN A 28 14.748 -0.056 2.346 1.00 0.00 C ATOM 427 CG GLN A 28 14.208 -0.682 1.071 1.00 0.00 C ATOM 428 CD GLN A 28 12.757 -1.138 1.168 1.00 0.00 C ATOM 429 OE1 GLN A 28 11.954 -0.577 1.907 1.00 0.00 O ATOM 430 NE2 GLN A 28 12.415 -2.175 0.423 1.00 0.00 N ATOM 0 HA GLN A 28 15.025 1.872 1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.794 -0.339 2.462 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.210 -0.471 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.297 0.039 0.259 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.830 -1.538 0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.107 -2.619 -0.181 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.460 -2.531 0.452 1.00 0.00 H new ATOM 439 N VAL A 29 12.615 1.628 3.701 1.00 0.00 N ATOM 440 CA VAL A 29 11.230 1.979 3.968 1.00 0.00 C ATOM 441 C VAL A 29 11.031 3.484 3.890 1.00 0.00 C ATOM 442 O VAL A 29 10.114 3.958 3.235 1.00 0.00 O ATOM 443 CB VAL A 29 10.763 1.460 5.348 1.00 0.00 C ATOM 444 CG1 VAL A 29 11.698 1.913 6.457 1.00 0.00 C ATOM 445 CG2 VAL A 29 9.337 1.910 5.636 1.00 0.00 C ATOM 0 H VAL A 29 13.089 1.159 4.473 1.00 0.00 H new ATOM 0 HA VAL A 29 10.623 1.497 3.201 1.00 0.00 H new ATOM 0 HB VAL A 29 10.786 0.371 5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.340 1.531 7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.701 1.531 6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.724 3.002 6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.027 1.535 6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.292 2.999 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.670 1.519 4.868 1.00 0.00 H new ATOM 455 N ASN A 30 11.933 4.217 4.524 1.00 0.00 N ATOM 456 CA ASN A 30 11.866 5.675 4.592 1.00 0.00 C ATOM 457 C ASN A 30 11.749 6.309 3.201 1.00 0.00 C ATOM 458 O ASN A 30 11.181 7.393 3.049 1.00 0.00 O ATOM 459 CB ASN A 30 13.105 6.190 5.339 1.00 0.00 C ATOM 460 CG ASN A 30 13.406 7.656 5.086 1.00 0.00 C ATOM 461 OD1 ASN A 30 12.820 8.540 5.708 1.00 0.00 O ATOM 462 ND2 ASN A 30 14.358 7.920 4.202 1.00 0.00 N ATOM 0 H ASN A 30 12.737 3.819 5.009 1.00 0.00 H new ATOM 0 HA ASN A 30 10.966 5.964 5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.963 6.037 6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.969 5.595 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.629 8.886 4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.820 7.157 3.707 1.00 0.00 H new ATOM 469 N GLY A 31 12.260 5.622 2.190 1.00 0.00 N ATOM 470 CA GLY A 31 12.154 6.124 0.839 1.00 0.00 C ATOM 471 C GLY A 31 10.994 5.506 0.081 1.00 0.00 C ATOM 472 O GLY A 31 10.273 6.195 -0.647 1.00 0.00 O ATOM 0 H GLY A 31 12.744 4.729 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.031 7.207 0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.082 5.921 0.305 1.00 0.00 H new ATOM 476 N ILE A 32 10.780 4.210 0.275 1.00 0.00 N ATOM 477 CA ILE A 32 9.817 3.481 -0.533 1.00 0.00 C ATOM 478 C ILE A 32 8.396 3.567 0.028 1.00 0.00 C ATOM 479 O ILE A 32 7.443 3.405 -0.714 1.00 0.00 O ATOM 480 CB ILE A 32 10.242 2.003 -0.744 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.192 1.640 -2.239 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.388 1.040 0.077 1.00 0.00 C ATOM 483 CD1 ILE A 32 8.810 1.713 -2.873 1.00 0.00 C ATOM 0 H ILE A 32 11.257 3.648 0.980 1.00 0.00 H new ATOM 0 HA ILE A 32 9.807 3.969 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 32 11.268 1.902 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.860 2.308 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.580 0.629 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.720 0.017 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.490 1.276 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.343 1.139 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.878 1.440 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.138 1.023 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.423 2.728 -2.786 1.00 0.00 H new ATOM 495 N VAL A 33 8.233 3.848 1.316 1.00 0.00 N ATOM 496 CA VAL A 33 6.888 3.980 1.865 1.00 0.00 C ATOM 497 C VAL A 33 6.235 5.239 1.306 1.00 0.00 C ATOM 498 O VAL A 33 5.016 5.313 1.151 1.00 0.00 O ATOM 499 CB VAL A 33 6.876 3.992 3.411 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.596 5.198 3.965 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.459 3.930 3.944 1.00 0.00 C ATOM 0 H VAL A 33 8.992 3.986 1.984 1.00 0.00 H new ATOM 0 HA VAL A 33 6.315 3.104 1.562 1.00 0.00 H new ATOM 0 HB VAL A 33 7.410 3.102 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.566 5.171 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.633 5.188 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.109 6.107 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.479 3.940 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.897 4.792 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.980 3.014 3.598 1.00 0.00 H new ATOM 511 N HIS A 34 7.068 6.219 0.977 1.00 0.00 N ATOM 512 CA HIS A 34 6.603 7.428 0.320 1.00 0.00 C ATOM 513 C HIS A 34 6.366 7.144 -1.162 1.00 0.00 C ATOM 514 O HIS A 34 5.371 7.580 -1.736 1.00 0.00 O ATOM 515 CB HIS A 34 7.631 8.553 0.484 1.00 0.00 C ATOM 516 CG HIS A 34 7.155 9.902 0.019 1.00 0.00 C ATOM 517 ND1 HIS A 34 6.836 10.930 0.882 1.00 0.00 N ATOM 518 CD2 HIS A 34 6.957 10.393 -1.229 1.00 0.00 C ATOM 519 CE1 HIS A 34 6.464 11.987 0.185 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.528 11.689 -1.097 1.00 0.00 N ATOM 0 H HIS A 34 8.072 6.197 1.156 1.00 0.00 H new ATOM 0 HA HIS A 34 5.667 7.746 0.780 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.911 8.622 1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.532 8.289 -0.069 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.109 9.861 -2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.158 12.938 0.597 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.296 12.319 -1.865 1.00 0.00 H new ATOM 529 N ALA A 35 7.280 6.390 -1.765 1.00 0.00 N ATOM 530 CA ALA A 35 7.209 6.093 -3.187 1.00 0.00 C ATOM 531 C ALA A 35 6.112 5.080 -3.492 1.00 0.00 C ATOM 532 O ALA A 35 5.579 5.056 -4.593 1.00 0.00 O ATOM 533 CB ALA A 35 8.553 5.581 -3.684 1.00 0.00 C ATOM 0 H ALA A 35 8.079 5.974 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 35 6.963 7.017 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.487 5.362 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.316 6.341 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.819 4.673 -3.143 1.00 0.00 H new ATOM 539 N ALA A 36 5.778 4.251 -2.509 1.00 0.00 N ATOM 540 CA ALA A 36 4.758 3.220 -2.680 1.00 0.00 C ATOM 541 C ALA A 36 3.384 3.835 -2.867 1.00 0.00 C ATOM 542 O ALA A 36 2.519 3.245 -3.511 1.00 0.00 O ATOM 543 CB ALA A 36 4.750 2.264 -1.496 1.00 0.00 C ATOM 0 H ALA A 36 6.200 4.273 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 36 5.006 2.657 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.982 1.505 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.724 1.783 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.538 2.819 -0.582 1.00 0.00 H new ATOM 549 N ALA A 37 3.199 5.033 -2.329 1.00 0.00 N ATOM 550 CA ALA A 37 1.944 5.748 -2.474 1.00 0.00 C ATOM 551 C ALA A 37 1.701 6.031 -3.942 1.00 0.00 C ATOM 552 O ALA A 37 0.573 5.999 -4.435 1.00 0.00 O ATOM 553 CB ALA A 37 1.995 7.049 -1.693 1.00 0.00 C ATOM 0 H ALA A 37 3.906 5.529 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 37 1.129 5.139 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.050 7.579 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.165 6.834 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.807 7.669 -2.072 1.00 0.00 H new ATOM 559 N ALA A 38 2.790 6.320 -4.628 1.00 0.00 N ATOM 560 CA ALA A 38 2.754 6.501 -6.057 1.00 0.00 C ATOM 561 C ALA A 38 2.865 5.162 -6.777 1.00 0.00 C ATOM 562 O ALA A 38 2.229 4.947 -7.805 1.00 0.00 O ATOM 563 CB ALA A 38 3.858 7.440 -6.498 1.00 0.00 C ATOM 0 H ALA A 38 3.714 6.434 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 38 1.795 6.947 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.818 7.567 -7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.727 8.408 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.825 7.022 -6.218 1.00 0.00 H new ATOM 569 N TYR A 39 3.660 4.261 -6.216 1.00 0.00 N ATOM 570 CA TYR A 39 3.890 2.946 -6.804 1.00 0.00 C ATOM 571 C TYR A 39 2.566 2.220 -7.050 1.00 0.00 C ATOM 572 O TYR A 39 2.365 1.587 -8.089 1.00 0.00 O ATOM 573 CB TYR A 39 4.777 2.101 -5.888 1.00 0.00 C ATOM 574 CG TYR A 39 5.546 1.022 -6.617 1.00 0.00 C ATOM 575 CD1 TYR A 39 4.890 -0.049 -7.205 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.931 1.081 -6.721 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.588 -1.030 -7.878 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.636 0.102 -7.390 1.00 0.00 C ATOM 579 CZ TYR A 39 6.960 -0.952 -7.968 1.00 0.00 C ATOM 580 OH TYR A 39 7.659 -1.928 -8.641 1.00 0.00 O ATOM 0 H TYR A 39 4.163 4.419 -5.343 1.00 0.00 H new ATOM 0 HA TYR A 39 4.394 3.089 -7.760 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.482 2.755 -5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.156 1.638 -5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.814 -0.116 -7.135 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.463 1.906 -6.271 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.061 -1.856 -8.332 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.712 0.161 -7.461 1.00 0.00 H new ATOM 0 HH TYR A 39 8.617 -1.723 -8.612 1.00 0.00 H new ATOM 590 N ILE A 40 1.662 2.317 -6.087 1.00 0.00 N ATOM 591 CA ILE A 40 0.381 1.642 -6.180 1.00 0.00 C ATOM 592 C ILE A 40 -0.578 2.395 -7.104 1.00 0.00 C ATOM 593 O ILE A 40 -1.432 1.786 -7.742 1.00 0.00 O ATOM 594 CB ILE A 40 -0.257 1.473 -4.786 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.714 0.749 -3.862 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.566 0.700 -4.876 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.421 0.972 -2.399 1.00 0.00 C ATOM 0 H ILE A 40 1.794 2.858 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 40 0.565 0.655 -6.604 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.474 2.462 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.679 -0.320 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.729 1.084 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.996 0.595 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.264 1.239 -5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.377 -0.288 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.148 0.429 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.484 2.037 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.582 0.611 -2.170 1.00 0.00 H new ATOM 609 N GLU A 41 -0.429 3.715 -7.190 1.00 0.00 N ATOM 610 CA GLU A 41 -1.334 4.515 -8.006 1.00 0.00 C ATOM 611 C GLU A 41 -0.947 4.463 -9.485 1.00 0.00 C ATOM 612 O GLU A 41 -1.812 4.524 -10.358 1.00 0.00 O ATOM 613 CB GLU A 41 -1.398 5.968 -7.520 1.00 0.00 C ATOM 614 CG GLU A 41 -0.171 6.802 -7.852 1.00 0.00 C ATOM 615 CD GLU A 41 -0.429 8.286 -7.716 1.00 0.00 C ATOM 616 OE1 GLU A 41 -1.128 8.848 -8.581 1.00 0.00 O ATOM 617 OE2 GLU A 41 0.064 8.904 -6.750 1.00 0.00 O ATOM 0 H GLU A 41 0.299 4.245 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.327 4.080 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.275 6.445 -7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.541 5.970 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.648 6.516 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.149 6.583 -8.871 1.00 0.00 H new ATOM 624 N GLU A 42 0.350 4.357 -9.764 1.00 0.00 N ATOM 625 CA GLU A 42 0.832 4.272 -11.141 1.00 0.00 C ATOM 626 C GLU A 42 0.505 2.907 -11.727 1.00 0.00 C ATOM 627 O GLU A 42 0.306 2.764 -12.934 1.00 0.00 O ATOM 628 CB GLU A 42 2.338 4.523 -11.201 1.00 0.00 C ATOM 629 CG GLU A 42 2.744 5.881 -10.653 1.00 0.00 C ATOM 630 CD GLU A 42 4.241 6.091 -10.657 1.00 0.00 C ATOM 631 OE1 GLU A 42 4.967 5.278 -10.046 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.701 7.080 -11.263 1.00 0.00 O ATOM 0 H GLU A 42 1.085 4.328 -9.057 1.00 0.00 H new ATOM 0 HA GLU A 42 0.330 5.040 -11.730 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.852 3.744 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.672 4.442 -12.235 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.270 6.663 -11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.370 5.983 -9.634 1.00 0.00 H new ATOM 639 N GLN A 43 0.455 1.910 -10.860 1.00 0.00 N ATOM 640 CA GLN A 43 0.004 0.579 -11.238 1.00 0.00 C ATOM 641 C GLN A 43 -1.192 0.197 -10.374 1.00 0.00 C ATOM 642 O GLN A 43 -1.071 -0.606 -9.450 1.00 0.00 O ATOM 643 CB GLN A 43 1.141 -0.428 -11.070 1.00 0.00 C ATOM 644 CG GLN A 43 2.275 -0.197 -12.048 1.00 0.00 C ATOM 645 CD GLN A 43 3.540 -0.930 -11.663 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.747 -2.079 -12.052 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.399 -0.272 -10.903 1.00 0.00 N ATOM 0 H GLN A 43 0.724 1.998 -9.880 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.297 0.573 -12.286 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.526 -0.368 -10.052 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.750 -1.437 -11.204 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.963 -0.518 -13.042 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.484 0.871 -12.109 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.189 0.680 -10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.272 -0.716 -10.618 1.00 0.00 H new ATOM 656 N PRO A 44 -2.360 0.799 -10.641 1.00 0.00 N ATOM 657 CA PRO A 44 -3.523 0.677 -9.785 1.00 0.00 C ATOM 658 C PRO A 44 -4.508 -0.384 -10.239 1.00 0.00 C ATOM 659 O PRO A 44 -4.232 -1.203 -11.118 1.00 0.00 O ATOM 660 CB PRO A 44 -4.143 2.058 -9.941 1.00 0.00 C ATOM 661 CG PRO A 44 -3.916 2.395 -11.379 1.00 0.00 C ATOM 662 CD PRO A 44 -2.657 1.661 -11.801 1.00 0.00 C ATOM 0 HA PRO A 44 -3.263 0.378 -8.770 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.205 2.049 -9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.670 2.785 -9.281 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.766 2.088 -11.988 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.801 3.471 -11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.817 1.076 -12.706 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.840 2.351 -12.009 1.00 0.00 H new ATOM 670 N PHE A 45 -5.658 -0.344 -9.611 1.00 0.00 N ATOM 671 CA PHE A 45 -6.775 -1.197 -9.928 1.00 0.00 C ATOM 672 C PHE A 45 -8.019 -0.327 -9.919 1.00 0.00 C ATOM 673 O PHE A 45 -8.064 0.655 -9.179 1.00 0.00 O ATOM 674 CB PHE A 45 -6.876 -2.343 -8.910 1.00 0.00 C ATOM 675 CG PHE A 45 -6.489 -1.947 -7.512 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.393 -1.313 -6.682 1.00 0.00 C ATOM 677 CD2 PHE A 45 -5.213 -2.206 -7.036 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.036 -0.942 -5.402 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.849 -1.838 -5.755 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.763 -1.204 -4.937 1.00 0.00 C ATOM 0 H PHE A 45 -5.847 0.301 -8.844 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.654 -1.659 -10.908 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.899 -2.720 -8.901 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.237 -3.164 -9.236 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.391 -1.105 -7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.495 -2.701 -7.674 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.753 -0.447 -4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.852 -2.046 -5.394 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.482 -0.914 -3.935 1.00 0.00 H new ATOM 690 N PRO A 46 -9.011 -0.633 -10.771 1.00 0.00 N ATOM 691 CA PRO A 46 -10.224 0.200 -10.953 1.00 0.00 C ATOM 692 C PRO A 46 -11.045 0.426 -9.675 1.00 0.00 C ATOM 693 O PRO A 46 -12.151 0.968 -9.729 1.00 0.00 O ATOM 694 CB PRO A 46 -11.043 -0.594 -11.970 1.00 0.00 C ATOM 695 CG PRO A 46 -10.045 -1.420 -12.690 1.00 0.00 C ATOM 696 CD PRO A 46 -9.033 -1.809 -11.656 1.00 0.00 C ATOM 0 HA PRO A 46 -9.952 1.208 -11.265 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.791 -1.215 -11.478 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.577 0.067 -12.652 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.510 -2.299 -13.135 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.582 -0.859 -13.502 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.326 -2.713 -11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.056 -2.002 -12.098 1.00 0.00 H new ATOM 704 N GLY A 47 -10.511 0.002 -8.540 1.00 0.00 N ATOM 705 CA GLY A 47 -11.136 0.273 -7.266 1.00 0.00 C ATOM 706 C GLY A 47 -10.163 0.917 -6.296 1.00 0.00 C ATOM 707 O GLY A 47 -10.269 0.729 -5.092 1.00 0.00 O ATOM 0 H GLY A 47 -9.644 -0.532 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.994 0.929 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.515 -0.656 -6.840 1.00 0.00 H new ATOM 711 N PHE A 48 -9.184 1.642 -6.821 1.00 0.00 N ATOM 712 CA PHE A 48 -8.219 2.351 -5.988 1.00 0.00 C ATOM 713 C PHE A 48 -8.880 3.543 -5.299 1.00 0.00 C ATOM 714 O PHE A 48 -9.585 4.328 -5.930 1.00 0.00 O ATOM 715 CB PHE A 48 -7.045 2.816 -6.860 1.00 0.00 C ATOM 716 CG PHE A 48 -5.888 3.396 -6.101 1.00 0.00 C ATOM 717 CD1 PHE A 48 -6.022 4.584 -5.411 1.00 0.00 C ATOM 718 CD2 PHE A 48 -4.661 2.756 -6.088 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.967 5.123 -4.721 1.00 0.00 C ATOM 720 CE2 PHE A 48 -3.595 3.295 -5.397 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.750 4.481 -4.712 1.00 0.00 C ATOM 0 H PHE A 48 -9.036 1.755 -7.824 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.849 1.679 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.689 1.969 -7.446 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.409 3.562 -7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.973 5.097 -5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.537 1.826 -6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.091 6.052 -4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.641 2.789 -5.393 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.918 4.905 -4.169 1.00 0.00 H new ATOM 731 N ILE A 49 -8.647 3.656 -3.998 1.00 0.00 N ATOM 732 CA ILE A 49 -9.148 4.777 -3.220 1.00 0.00 C ATOM 733 C ILE A 49 -7.995 5.669 -2.765 1.00 0.00 C ATOM 734 O ILE A 49 -7.929 6.841 -3.133 1.00 0.00 O ATOM 735 CB ILE A 49 -9.948 4.286 -1.994 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.215 3.556 -2.449 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.289 5.435 -1.054 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.200 4.420 -3.205 1.00 0.00 C ATOM 0 H ILE A 49 -8.110 2.978 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.815 5.356 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.323 3.587 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -10.928 2.716 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.713 3.140 -1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.852 5.053 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.369 5.902 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.890 6.173 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.066 3.822 -3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.521 5.246 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.723 4.816 -4.102 1.00 0.00 H new ATOM 750 N GLU A 50 -7.077 5.101 -1.987 1.00 0.00 N ATOM 751 CA GLU A 50 -5.938 5.854 -1.460 1.00 0.00 C ATOM 752 C GLU A 50 -4.765 4.951 -1.192 1.00 0.00 C ATOM 753 O GLU A 50 -4.859 3.727 -1.259 1.00 0.00 O ATOM 754 CB GLU A 50 -6.229 6.480 -0.098 1.00 0.00 C ATOM 755 CG GLU A 50 -7.427 7.374 -0.013 1.00 0.00 C ATOM 756 CD GLU A 50 -7.065 8.846 -0.061 1.00 0.00 C ATOM 757 OE1 GLU A 50 -6.966 9.411 -1.172 1.00 0.00 O ATOM 758 OE2 GLU A 50 -6.881 9.449 1.020 1.00 0.00 O ATOM 0 H GLU A 50 -7.098 4.121 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.736 6.609 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.352 5.676 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.354 7.053 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.105 7.144 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.965 7.167 0.912 1.00 0.00 H new ATOM 765 N CYS A 51 -3.670 5.590 -0.856 1.00 0.00 N ATOM 766 CA CYS A 51 -2.647 4.977 -0.059 1.00 0.00 C ATOM 767 C CYS A 51 -1.769 6.064 0.539 1.00 0.00 C ATOM 768 O CYS A 51 -1.143 6.845 -0.180 1.00 0.00 O ATOM 769 CB CYS A 51 -1.817 3.972 -0.854 1.00 0.00 C ATOM 770 SG CYS A 51 -1.268 4.574 -2.465 1.00 0.00 S ATOM 0 H CYS A 51 -3.468 6.551 -1.130 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.125 4.410 0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.943 3.694 -0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.405 3.066 -0.999 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.941 3.977 -3.404 1.00 0.00 H new ATOM 776 N ILE A 52 -1.750 6.127 1.855 1.00 0.00 N ATOM 777 CA ILE A 52 -1.057 7.198 2.543 1.00 0.00 C ATOM 778 C ILE A 52 0.153 6.697 3.318 1.00 0.00 C ATOM 779 O ILE A 52 0.066 5.722 4.072 1.00 0.00 O ATOM 780 CB ILE A 52 -2.006 7.966 3.477 1.00 0.00 C ATOM 781 CG1 ILE A 52 -2.921 7.001 4.234 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.814 8.955 2.659 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.770 7.670 5.295 1.00 0.00 C ATOM 0 H ILE A 52 -2.205 5.451 2.469 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.697 7.880 1.773 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.422 8.510 4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.575 6.500 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.311 6.229 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.490 9.504 3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.140 9.655 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.394 8.418 1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.392 6.923 5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.123 8.147 6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.407 8.422 4.830 1.00 0.00 H new ATOM 795 N PRO A 53 1.303 7.360 3.124 1.00 0.00 N ATOM 796 CA PRO A 53 2.551 7.017 3.794 1.00 0.00 C ATOM 797 C PRO A 53 2.580 7.518 5.232 1.00 0.00 C ATOM 798 O PRO A 53 2.330 8.694 5.499 1.00 0.00 O ATOM 799 CB PRO A 53 3.632 7.731 2.965 1.00 0.00 C ATOM 800 CG PRO A 53 2.917 8.385 1.822 1.00 0.00 C ATOM 801 CD PRO A 53 1.480 8.509 2.229 1.00 0.00 C ATOM 0 HA PRO A 53 2.692 5.938 3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.160 8.470 3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.377 7.022 2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.345 9.364 1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.012 7.790 0.914 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.282 9.453 2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.810 8.462 1.371 1.00 0.00 H new ATOM 809 N ALA A 54 2.884 6.623 6.151 1.00 0.00 N ATOM 810 CA ALA A 54 2.936 6.960 7.561 1.00 0.00 C ATOM 811 C ALA A 54 4.332 6.719 8.119 1.00 0.00 C ATOM 812 O ALA A 54 4.501 5.971 9.084 1.00 0.00 O ATOM 813 CB ALA A 54 1.898 6.154 8.331 1.00 0.00 C ATOM 0 H ALA A 54 3.101 5.648 5.944 1.00 0.00 H new ATOM 0 HA ALA A 54 2.706 8.019 7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.946 6.415 9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.903 6.380 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.101 5.090 8.210 1.00 0.00 H new ATOM 819 N PHE A 55 5.329 7.329 7.469 1.00 0.00 N ATOM 820 CA PHE A 55 6.730 7.274 7.903 1.00 0.00 C ATOM 821 C PHE A 55 7.341 5.895 7.649 1.00 0.00 C ATOM 822 O PHE A 55 8.334 5.768 6.936 1.00 0.00 O ATOM 823 CB PHE A 55 6.854 7.652 9.385 1.00 0.00 C ATOM 824 CG PHE A 55 8.270 7.838 9.854 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.003 6.766 10.343 1.00 0.00 C ATOM 826 CD2 PHE A 55 8.867 9.088 9.809 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.303 6.940 10.776 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.166 9.266 10.242 1.00 0.00 C ATOM 829 CZ PHE A 55 10.885 8.191 10.725 1.00 0.00 C ATOM 0 H PHE A 55 5.186 7.878 6.622 1.00 0.00 H new ATOM 0 HA PHE A 55 7.287 8.000 7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.300 8.574 9.561 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.382 6.876 9.988 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.552 5.785 10.385 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.310 9.932 9.431 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.864 6.098 11.154 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.619 10.246 10.203 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.902 8.328 11.063 1.00 0.00 H new ATOM 839 N THR A 56 6.751 4.877 8.246 1.00 0.00 N ATOM 840 CA THR A 56 7.207 3.508 8.068 1.00 0.00 C ATOM 841 C THR A 56 6.052 2.615 7.625 1.00 0.00 C ATOM 842 O THR A 56 6.255 1.509 7.119 1.00 0.00 O ATOM 843 CB THR A 56 7.839 2.960 9.369 1.00 0.00 C ATOM 844 OG1 THR A 56 8.061 1.550 9.269 1.00 0.00 O ATOM 845 CG2 THR A 56 6.957 3.247 10.575 1.00 0.00 C ATOM 0 H THR A 56 5.946 4.973 8.865 1.00 0.00 H new ATOM 0 HA THR A 56 7.971 3.506 7.291 1.00 0.00 H new ATOM 0 HB THR A 56 8.794 3.467 9.505 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.463 1.222 10.101 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.429 2.849 11.474 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.824 4.324 10.681 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.985 2.774 10.436 1.00 0.00 H new ATOM 853 N SER A 57 4.837 3.113 7.782 1.00 0.00 N ATOM 854 CA SER A 57 3.662 2.330 7.456 1.00 0.00 C ATOM 855 C SER A 57 2.986 2.858 6.195 1.00 0.00 C ATOM 856 O SER A 57 3.026 4.048 5.905 1.00 0.00 O ATOM 857 CB SER A 57 2.683 2.346 8.631 1.00 0.00 C ATOM 858 OG SER A 57 3.318 1.928 9.829 1.00 0.00 O ATOM 0 H SER A 57 4.641 4.051 8.131 1.00 0.00 H new ATOM 0 HA SER A 57 3.974 1.303 7.266 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.281 3.351 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.839 1.691 8.415 1.00 0.00 H new ATOM 0 HG SER A 57 2.672 1.948 10.566 1.00 0.00 H new ATOM 864 N LEU A 58 2.373 1.960 5.448 1.00 0.00 N ATOM 865 CA LEU A 58 1.667 2.317 4.231 1.00 0.00 C ATOM 866 C LEU A 58 0.192 1.970 4.391 1.00 0.00 C ATOM 867 O LEU A 58 -0.176 0.799 4.486 1.00 0.00 O ATOM 868 CB LEU A 58 2.270 1.573 3.035 1.00 0.00 C ATOM 869 CG LEU A 58 1.650 1.893 1.671 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.939 3.333 1.260 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.173 0.921 0.627 1.00 0.00 C ATOM 0 H LEU A 58 2.350 0.964 5.666 1.00 0.00 H new ATOM 0 HA LEU A 58 1.765 3.387 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.336 1.798 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.177 0.502 3.213 1.00 0.00 H new ATOM 0 HG LEU A 58 0.568 1.783 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.487 3.532 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.520 4.014 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.017 3.484 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.729 1.153 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.257 1.009 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.908 -0.097 0.913 1.00 0.00 H new ATOM 883 N THR A 59 -0.642 2.987 4.448 1.00 0.00 N ATOM 884 CA THR A 59 -2.064 2.797 4.663 1.00 0.00 C ATOM 885 C THR A 59 -2.794 2.765 3.323 1.00 0.00 C ATOM 886 O THR A 59 -2.956 3.800 2.683 1.00 0.00 O ATOM 887 CB THR A 59 -2.614 3.943 5.525 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.567 4.459 6.364 1.00 0.00 O ATOM 889 CG2 THR A 59 -3.761 3.468 6.395 1.00 0.00 C ATOM 0 H THR A 59 -0.358 3.962 4.348 1.00 0.00 H new ATOM 0 HA THR A 59 -2.223 1.849 5.178 1.00 0.00 H new ATOM 0 HB THR A 59 -2.982 4.724 4.860 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.918 5.191 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.131 4.299 6.995 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.565 3.090 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.413 2.672 7.054 1.00 0.00 H new ATOM 897 N VAL A 60 -3.237 1.587 2.903 1.00 0.00 N ATOM 898 CA VAL A 60 -3.780 1.417 1.565 1.00 0.00 C ATOM 899 C VAL A 60 -5.294 1.247 1.599 1.00 0.00 C ATOM 900 O VAL A 60 -5.813 0.224 2.052 1.00 0.00 O ATOM 901 CB VAL A 60 -3.131 0.209 0.847 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.663 0.067 -0.569 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.621 0.360 0.841 1.00 0.00 C ATOM 0 H VAL A 60 -3.230 0.738 3.469 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.545 2.323 1.006 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.391 -0.698 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.191 -0.789 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.742 -0.083 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.438 0.971 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.172 -0.494 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.349 1.277 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.256 0.406 1.867 1.00 0.00 H new ATOM 913 N PHE A 61 -5.996 2.266 1.128 1.00 0.00 N ATOM 914 CA PHE A 61 -7.445 2.233 1.060 1.00 0.00 C ATOM 915 C PHE A 61 -7.885 1.941 -0.366 1.00 0.00 C ATOM 916 O PHE A 61 -7.237 2.359 -1.325 1.00 0.00 O ATOM 917 CB PHE A 61 -8.022 3.568 1.505 1.00 0.00 C ATOM 918 CG PHE A 61 -7.692 3.950 2.921 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.464 4.519 3.239 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.619 3.760 3.933 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.175 4.888 4.537 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.329 4.124 5.234 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.107 4.690 5.536 1.00 0.00 C ATOM 0 H PHE A 61 -5.580 3.132 0.785 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.810 1.448 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.656 4.348 0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.106 3.536 1.394 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.729 4.674 2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.579 3.322 3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.219 5.332 4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.058 3.966 6.014 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.880 4.977 6.552 1.00 0.00 H new ATOM 933 N TYR A 62 -8.996 1.249 -0.504 1.00 0.00 N ATOM 934 CA TYR A 62 -9.474 0.834 -1.809 1.00 0.00 C ATOM 935 C TYR A 62 -10.919 0.385 -1.724 1.00 0.00 C ATOM 936 O TYR A 62 -11.463 0.191 -0.637 1.00 0.00 O ATOM 937 CB TYR A 62 -8.598 -0.285 -2.378 1.00 0.00 C ATOM 938 CG TYR A 62 -8.198 -1.310 -1.351 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.134 -2.165 -0.798 1.00 0.00 C ATOM 940 CD2 TYR A 62 -6.885 -1.405 -0.922 1.00 0.00 C ATOM 941 CE1 TYR A 62 -8.775 -3.086 0.154 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.516 -2.328 0.029 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.467 -3.166 0.561 1.00 0.00 C ATOM 944 OH TYR A 62 -7.111 -4.088 1.505 1.00 0.00 O ATOM 0 H TYR A 62 -9.589 0.960 0.274 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.414 1.689 -2.483 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.135 -0.781 -3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.700 0.152 -2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.163 -2.107 -1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.140 -0.745 -1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.518 -3.744 0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.488 -2.394 0.355 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.454 -4.708 1.125 1.00 0.00 H new ATOM 954 N ASP A 63 -11.523 0.227 -2.880 1.00 0.00 N ATOM 955 CA ASP A 63 -12.922 -0.113 -2.980 1.00 0.00 C ATOM 956 C ASP A 63 -13.055 -1.604 -3.208 1.00 0.00 C ATOM 957 O ASP A 63 -12.693 -2.120 -4.269 1.00 0.00 O ATOM 958 CB ASP A 63 -13.568 0.660 -4.124 1.00 0.00 C ATOM 959 CG ASP A 63 -15.008 1.030 -3.826 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.788 0.141 -3.417 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.367 2.216 -3.990 1.00 0.00 O ATOM 0 H ASP A 63 -11.055 0.331 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.431 0.156 -2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.994 1.567 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.530 0.059 -5.033 1.00 0.00 H new ATOM 966 N MET A 64 -13.572 -2.288 -2.208 1.00 0.00 N ATOM 967 CA MET A 64 -13.609 -3.744 -2.205 1.00 0.00 C ATOM 968 C MET A 64 -14.496 -4.285 -3.325 1.00 0.00 C ATOM 969 O MET A 64 -14.351 -5.434 -3.725 1.00 0.00 O ATOM 970 CB MET A 64 -14.074 -4.275 -0.839 1.00 0.00 C ATOM 971 CG MET A 64 -15.576 -4.502 -0.712 1.00 0.00 C ATOM 972 SD MET A 64 -16.564 -3.032 -1.066 1.00 0.00 S ATOM 973 CE MET A 64 -16.036 -1.928 0.236 1.00 0.00 C ATOM 0 H MET A 64 -13.977 -1.857 -1.377 1.00 0.00 H new ATOM 0 HA MET A 64 -12.595 -4.099 -2.386 1.00 0.00 H new ATOM 0 HB2 MET A 64 -13.562 -5.216 -0.639 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.762 -3.571 -0.067 1.00 0.00 H new ATOM 0 HG2 MET A 64 -15.873 -5.301 -1.392 1.00 0.00 H new ATOM 0 HG3 MET A 64 -15.799 -4.844 0.299 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.576 -0.985 0.155 1.00 0.00 H new ATOM 0 HE2 MET A 64 -16.243 -2.383 1.205 1.00 0.00 H new ATOM 0 HE3 MET A 64 -14.966 -1.742 0.144 1.00 0.00 H new ATOM 983 N TYR A 65 -15.396 -3.449 -3.839 1.00 0.00 N ATOM 984 CA TYR A 65 -16.333 -3.872 -4.884 1.00 0.00 C ATOM 985 C TYR A 65 -15.595 -4.371 -6.129 1.00 0.00 C ATOM 986 O TYR A 65 -16.114 -5.203 -6.873 1.00 0.00 O ATOM 987 CB TYR A 65 -17.283 -2.720 -5.265 1.00 0.00 C ATOM 988 CG TYR A 65 -16.807 -1.862 -6.429 1.00 0.00 C ATOM 989 CD1 TYR A 65 -15.749 -0.976 -6.288 1.00 0.00 C ATOM 990 CD2 TYR A 65 -17.424 -1.947 -7.674 1.00 0.00 C ATOM 991 CE1 TYR A 65 -15.316 -0.200 -7.347 1.00 0.00 C ATOM 992 CE2 TYR A 65 -16.996 -1.173 -8.739 1.00 0.00 C ATOM 993 CZ TYR A 65 -15.941 -0.302 -8.570 1.00 0.00 C ATOM 994 OH TYR A 65 -15.511 0.471 -9.627 1.00 0.00 O ATOM 0 H TYR A 65 -15.498 -2.476 -3.551 1.00 0.00 H new ATOM 0 HA TYR A 65 -16.920 -4.697 -4.480 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.258 -3.139 -5.515 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.424 -2.080 -4.394 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.254 -0.891 -5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.251 -2.628 -7.811 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.490 0.484 -7.216 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.486 -1.251 -9.698 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.057 0.277 -10.417 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.373 -3.891 -6.337 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.651 -4.188 -7.564 1.00 0.00 C ATOM 1006 C GLU A 66 -12.846 -5.455 -7.380 1.00 0.00 C ATOM 1007 O GLU A 66 -12.710 -6.273 -8.285 1.00 0.00 O ATOM 1008 CB GLU A 66 -12.733 -3.023 -7.944 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.065 -3.195 -9.298 1.00 0.00 C ATOM 1010 CD GLU A 66 -13.059 -3.520 -10.394 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -13.970 -2.702 -10.640 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -12.955 -4.607 -10.995 1.00 0.00 O ATOM 0 H GLU A 66 -13.868 -3.300 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.368 -4.332 -8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.313 -2.100 -7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.964 -2.912 -7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.530 -2.281 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.323 -3.991 -9.236 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.339 -5.615 -6.180 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.533 -6.765 -5.843 1.00 0.00 C ATOM 1021 C VAL A 67 -12.432 -7.964 -5.558 1.00 0.00 C ATOM 1022 O VAL A 67 -12.074 -9.105 -5.846 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.624 -6.445 -4.638 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -9.967 -5.092 -4.848 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.394 -6.464 -3.326 1.00 0.00 C ATOM 0 H VAL A 67 -12.473 -4.956 -5.413 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.891 -7.015 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.860 -7.219 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.324 -4.864 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.369 -5.115 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.736 -4.324 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.717 -6.234 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.190 -5.720 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.828 -7.452 -3.173 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.622 -7.676 -5.033 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.632 -8.691 -4.766 1.00 0.00 C ATOM 1037 C TYR A 68 -15.178 -9.244 -6.075 1.00 0.00 C ATOM 1038 O TYR A 68 -15.716 -10.351 -6.112 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.766 -8.107 -3.914 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.601 -9.153 -3.206 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.167 -9.709 -2.010 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.814 -9.584 -3.728 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.918 -10.664 -1.352 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -18.574 -10.541 -3.073 1.00 0.00 C ATOM 1045 CZ TYR A 68 -18.118 -11.078 -1.886 1.00 0.00 C ATOM 1046 OH TYR A 68 -18.866 -12.033 -1.227 1.00 0.00 O ATOM 0 H TYR A 68 -13.910 -6.730 -4.782 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.170 -9.506 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.339 -7.433 -3.171 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.416 -7.508 -4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.226 -9.389 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -18.171 -9.167 -4.658 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.565 -11.084 -0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.517 -10.864 -3.489 1.00 0.00 H new ATOM 0 HH TYR A 68 -19.685 -12.214 -1.734 1.00 0.00 H new ATOM 1056 N LYS A 69 -15.033 -8.459 -7.149 1.00 0.00 N ATOM 1057 CA LYS A 69 -15.372 -8.918 -8.494 1.00 0.00 C ATOM 1058 C LYS A 69 -14.644 -10.219 -8.760 1.00 0.00 C ATOM 1059 O LYS A 69 -15.163 -11.129 -9.400 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.922 -7.903 -9.546 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.944 -7.621 -10.640 1.00 0.00 C ATOM 1062 CD LYS A 69 -16.974 -6.591 -10.204 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.339 -5.223 -9.982 1.00 0.00 C ATOM 1064 NZ LYS A 69 -15.811 -4.626 -11.240 1.00 0.00 N ATOM 0 H LYS A 69 -14.682 -7.502 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.453 -9.045 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.678 -6.966 -9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.004 -8.264 -10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.430 -7.265 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.450 -8.548 -10.911 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.754 -6.512 -10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.455 -6.923 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.078 -4.550 -9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.528 -5.316 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.436 -3.676 -11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.051 -5.227 -11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.577 -4.557 -11.940 1.00 0.00 H new ATOM 1078 N HIS A 70 -13.425 -10.287 -8.243 1.00 0.00 N ATOM 1079 CA HIS A 70 -12.577 -11.441 -8.439 1.00 0.00 C ATOM 1080 C HIS A 70 -12.651 -12.352 -7.217 1.00 0.00 C ATOM 1081 O HIS A 70 -13.255 -13.421 -7.272 1.00 0.00 O ATOM 1082 CB HIS A 70 -11.122 -11.011 -8.683 1.00 0.00 C ATOM 1083 CG HIS A 70 -10.920 -10.165 -9.907 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -11.795 -9.440 -10.645 1.00 0.00 N flip ATOM 1085 CD2 HIS A 70 -9.686 -9.959 -10.478 1.00 0.00 C flip ATOM 1086 CE1 HIS A 70 -11.082 -8.812 -11.633 1.00 0.00 C flip ATOM 1087 NE2 HIS A 70 -9.810 -9.144 -11.511 1.00 0.00 N flip ATOM 0 H HIS A 70 -13.004 -9.547 -7.681 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.929 -11.984 -9.316 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.769 -10.458 -7.812 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.502 -11.903 -8.767 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.759 -10.395 -10.135 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.492 -8.155 -12.386 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.051 -8.825 -12.113 1.00 0.00 H new ATOM 1096 N LEU A 71 -12.064 -11.879 -6.109 1.00 0.00 N ATOM 1097 CA LEU A 71 -12.010 -12.612 -4.838 1.00 0.00 C ATOM 1098 C LEU A 71 -11.713 -14.108 -5.040 1.00 0.00 C ATOM 1099 O LEU A 71 -12.597 -14.951 -4.869 1.00 0.00 O ATOM 1100 CB LEU A 71 -13.321 -12.416 -4.074 1.00 0.00 C ATOM 1101 CG LEU A 71 -13.198 -11.718 -2.711 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.445 -12.590 -1.719 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.505 -10.367 -2.856 1.00 0.00 C ATOM 0 H LEU A 71 -11.609 -10.967 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.185 -12.206 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.001 -11.837 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.781 -13.392 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.205 -11.553 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.372 -12.073 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.979 -13.531 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.444 -12.793 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.429 -9.890 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.506 -10.513 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.084 -9.731 -3.526 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.462 -14.446 -5.414 1.00 0.00 N ATOM 1116 CA PRO A 72 -10.045 -15.837 -5.668 1.00 0.00 C ATOM 1117 C PRO A 72 -10.159 -16.758 -4.443 1.00 0.00 C ATOM 1118 O PRO A 72 -10.437 -16.297 -3.337 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.579 -15.703 -6.101 1.00 0.00 C ATOM 1120 CG PRO A 72 -8.428 -14.285 -6.526 1.00 0.00 C ATOM 1121 CD PRO A 72 -9.363 -13.498 -5.655 1.00 0.00 C ATOM 0 HA PRO A 72 -10.692 -16.304 -6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.902 -15.943 -5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.345 -16.386 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.399 -13.947 -6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.679 -14.163 -7.580 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.885 -13.188 -4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.712 -12.592 -6.151 1.00 0.00 H new ATOM 1129 N GLN A 73 -9.916 -18.052 -4.639 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.153 -19.057 -3.598 1.00 0.00 C ATOM 1131 C GLN A 73 -9.283 -18.838 -2.354 1.00 0.00 C ATOM 1132 O GLN A 73 -9.782 -18.872 -1.225 1.00 0.00 O ATOM 1133 CB GLN A 73 -9.912 -20.457 -4.165 1.00 0.00 C ATOM 1134 CG GLN A 73 -10.260 -21.581 -3.201 1.00 0.00 C ATOM 1135 CD GLN A 73 -11.709 -21.542 -2.737 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -12.591 -21.056 -3.447 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -11.965 -22.068 -1.551 1.00 0.00 N ATOM 0 H GLN A 73 -9.553 -18.433 -5.513 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.191 -18.955 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.501 -20.576 -5.074 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.864 -20.547 -4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.065 -22.539 -3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.605 -21.522 -2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.207 -22.461 -0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.921 -22.081 -1.194 1.00 0.00 H new ATOM 1146 N GLY A 74 -7.991 -18.607 -2.557 1.00 0.00 N ATOM 1147 CA GLY A 74 -7.078 -18.461 -1.435 1.00 0.00 C ATOM 1148 C GLY A 74 -7.298 -17.151 -0.721 1.00 0.00 C ATOM 1149 O GLY A 74 -6.917 -16.975 0.439 1.00 0.00 O ATOM 0 H GLY A 74 -7.558 -18.518 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.219 -19.287 -0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.049 -18.516 -1.790 1.00 0.00 H new ATOM 1153 N ILE A 75 -7.912 -16.234 -1.439 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.292 -14.945 -0.903 1.00 0.00 C ATOM 1155 C ILE A 75 -9.533 -15.087 -0.041 1.00 0.00 C ATOM 1156 O ILE A 75 -10.644 -15.233 -0.545 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.558 -13.977 -2.061 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.346 -13.956 -2.993 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.879 -12.590 -1.547 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -6.073 -13.470 -2.337 1.00 0.00 C ATOM 0 H ILE A 75 -8.163 -16.364 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.484 -14.554 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.428 -14.321 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.182 -14.961 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.569 -13.317 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.063 -11.923 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.767 -12.632 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.038 -12.214 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.261 -13.485 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.216 -12.452 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.823 -14.122 -1.500 1.00 0.00 H new ATOM 1172 N SER A 76 -9.328 -15.068 1.261 1.00 0.00 N ATOM 1173 CA SER A 76 -10.417 -15.220 2.205 1.00 0.00 C ATOM 1174 C SER A 76 -11.086 -13.875 2.463 1.00 0.00 C ATOM 1175 O SER A 76 -12.192 -13.806 3.001 1.00 0.00 O ATOM 1176 CB SER A 76 -9.870 -15.795 3.507 1.00 0.00 C ATOM 1177 OG SER A 76 -9.161 -17.004 3.273 1.00 0.00 O ATOM 0 H SER A 76 -8.411 -14.948 1.691 1.00 0.00 H new ATOM 0 HA SER A 76 -11.163 -15.898 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.210 -15.068 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.691 -15.979 4.200 1.00 0.00 H new ATOM 0 HG SER A 76 -8.819 -17.352 4.123 1.00 0.00 H new ATOM 1183 N SER A 77 -10.414 -12.815 2.048 1.00 0.00 N ATOM 1184 CA SER A 77 -10.828 -11.460 2.360 1.00 0.00 C ATOM 1185 C SER A 77 -10.495 -10.514 1.210 1.00 0.00 C ATOM 1186 O SER A 77 -9.454 -10.650 0.580 1.00 0.00 O ATOM 1187 CB SER A 77 -10.099 -11.009 3.613 1.00 0.00 C ATOM 1188 OG SER A 77 -10.478 -11.786 4.739 1.00 0.00 O ATOM 0 H SER A 77 -9.565 -12.871 1.485 1.00 0.00 H new ATOM 0 HA SER A 77 -11.906 -11.441 2.517 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.023 -11.089 3.459 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.316 -9.958 3.804 1.00 0.00 H new ATOM 0 HG SER A 77 -9.992 -11.474 5.530 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.379 -9.537 0.931 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.168 -8.532 -0.124 1.00 0.00 C ATOM 1196 C PRO A 78 -9.816 -7.833 -0.032 1.00 0.00 C ATOM 1197 O PRO A 78 -9.205 -7.514 -1.045 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.292 -7.529 0.118 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.373 -8.335 0.747 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.677 -9.352 1.609 1.00 0.00 C ATOM 0 HA PRO A 78 -11.175 -8.990 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.968 -6.719 0.771 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.626 -7.073 -0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.035 -7.705 1.342 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.990 -8.820 -0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.550 -8.995 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.239 -10.284 1.665 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.355 -7.590 1.181 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.063 -6.949 1.386 1.00 0.00 C ATOM 1210 C PHE A 79 -6.922 -7.844 0.907 1.00 0.00 C ATOM 1211 O PHE A 79 -5.858 -7.359 0.523 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.900 -6.576 2.863 1.00 0.00 C ATOM 1213 CG PHE A 79 -7.059 -7.512 3.688 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.619 -8.624 4.298 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.708 -7.263 3.866 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.843 -9.473 5.065 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.929 -8.106 4.631 1.00 0.00 C ATOM 1218 CZ PHE A 79 -5.496 -9.213 5.231 1.00 0.00 C ATOM 0 H PHE A 79 -9.853 -7.825 2.040 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.024 -6.036 0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.462 -5.579 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.890 -6.515 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.672 -8.829 4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.259 -6.398 3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.289 -10.338 5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.877 -7.900 4.761 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.887 -9.875 5.829 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.159 -9.149 0.906 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.142 -10.107 0.513 1.00 0.00 C ATOM 1230 C GLU A 80 -5.899 -10.088 -0.979 1.00 0.00 C ATOM 1231 O GLU A 80 -4.769 -10.275 -1.423 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.514 -11.522 0.931 1.00 0.00 C ATOM 1233 CG GLU A 80 -6.403 -11.767 2.411 1.00 0.00 C ATOM 1234 CD GLU A 80 -5.814 -13.131 2.694 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -6.557 -14.132 2.605 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -4.594 -13.206 2.956 1.00 0.00 O ATOM 0 H GLU A 80 -8.050 -9.566 1.174 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.229 -9.807 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.536 -11.728 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.870 -12.227 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.779 -10.997 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.388 -11.690 2.870 1.00 0.00 H new ATOM 1243 N SER A 81 -6.946 -9.860 -1.756 1.00 0.00 N ATOM 1244 CA SER A 81 -6.808 -9.898 -3.200 1.00 0.00 C ATOM 1245 C SER A 81 -5.984 -8.713 -3.636 1.00 0.00 C ATOM 1246 O SER A 81 -5.168 -8.794 -4.551 1.00 0.00 O ATOM 1247 CB SER A 81 -8.179 -9.896 -3.877 1.00 0.00 C ATOM 1248 OG SER A 81 -9.002 -8.866 -3.371 1.00 0.00 O ATOM 0 H SER A 81 -7.885 -9.650 -1.417 1.00 0.00 H new ATOM 0 HA SER A 81 -6.305 -10.818 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.055 -9.770 -4.953 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.664 -10.860 -3.723 1.00 0.00 H new ATOM 0 HG SER A 81 -8.554 -8.430 -2.616 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.163 -7.628 -2.908 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.444 -6.401 -3.184 1.00 0.00 C ATOM 1256 C VAL A 82 -3.972 -6.559 -2.850 1.00 0.00 C ATOM 1257 O VAL A 82 -3.107 -6.012 -3.536 1.00 0.00 O ATOM 1258 CB VAL A 82 -5.994 -5.227 -2.380 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.357 -3.939 -2.862 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.506 -5.177 -2.477 1.00 0.00 C ATOM 0 H VAL A 82 -6.804 -7.572 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.572 -6.195 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.743 -5.358 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.751 -3.101 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.277 -3.995 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.585 -3.793 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.880 -4.333 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.800 -5.059 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.927 -6.102 -2.084 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.693 -7.305 -1.780 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.321 -7.592 -1.401 1.00 0.00 C ATOM 1272 C LYS A 83 -1.592 -8.173 -2.595 1.00 0.00 C ATOM 1273 O LYS A 83 -0.509 -7.745 -2.946 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.252 -8.592 -0.241 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.866 -8.102 1.059 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.486 -9.004 2.231 1.00 0.00 C ATOM 1277 CE LYS A 83 -3.043 -10.411 2.073 1.00 0.00 C ATOM 1278 NZ LYS A 83 -2.655 -11.305 3.201 1.00 0.00 N ATOM 0 H LYS A 83 -4.398 -7.716 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.856 -6.661 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.756 -9.511 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.208 -8.846 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.533 -7.084 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.951 -8.069 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.400 -9.051 2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.858 -8.569 3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.130 -10.363 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.686 -10.837 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.418 -11.988 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.784 -11.816 2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.492 -10.735 4.055 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.249 -9.106 -3.251 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.631 -9.870 -4.325 1.00 0.00 C ATOM 1294 C ARG A 84 -1.345 -8.986 -5.532 1.00 0.00 C ATOM 1295 O ARG A 84 -0.322 -9.148 -6.195 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.534 -11.035 -4.710 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.095 -11.766 -3.504 1.00 0.00 C ATOM 1298 CD ARG A 84 -1.985 -12.270 -2.584 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.498 -13.009 -1.432 1.00 0.00 N ATOM 1300 CZ ARG A 84 -1.877 -13.084 -0.251 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -0.778 -12.372 -0.015 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -2.378 -13.847 0.713 1.00 0.00 N ATOM 0 H ARG A 84 -3.219 -9.358 -3.061 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.677 -10.262 -3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.358 -10.664 -5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.972 -11.737 -5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.754 -11.099 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.701 -12.608 -3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.312 -12.912 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.396 -11.422 -2.234 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.387 -13.499 -1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.401 -11.761 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.313 -12.437 0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.236 -14.375 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.905 -13.905 1.615 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.241 -8.040 -5.795 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.067 -7.098 -6.889 1.00 0.00 C ATOM 1318 C ASP A 85 -0.821 -6.260 -6.670 1.00 0.00 C ATOM 1319 O ASP A 85 -0.075 -5.958 -7.604 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.289 -6.179 -7.017 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.450 -6.836 -7.741 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.402 -6.927 -8.987 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.421 -7.248 -7.076 1.00 0.00 O ATOM 0 H ASP A 85 -3.099 -7.907 -5.260 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.959 -7.669 -7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.614 -5.874 -6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.001 -5.273 -7.550 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.589 -5.883 -5.428 1.00 0.00 N ATOM 1329 CA VAL A 86 0.544 -5.045 -5.115 1.00 0.00 C ATOM 1330 C VAL A 86 1.808 -5.884 -4.864 1.00 0.00 C ATOM 1331 O VAL A 86 2.847 -5.600 -5.442 1.00 0.00 O ATOM 1332 CB VAL A 86 0.233 -4.072 -3.939 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.027 -3.275 -4.236 1.00 0.00 C ATOM 1334 CG2 VAL A 86 0.099 -4.787 -2.604 1.00 0.00 C ATOM 0 H VAL A 86 -1.166 -6.142 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 86 0.746 -4.422 -5.986 1.00 0.00 H new ATOM 0 HB VAL A 86 1.083 -3.396 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.234 -2.599 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.885 -2.697 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.867 -3.957 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.118 -4.059 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.713 -5.512 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.031 -5.302 -2.372 1.00 0.00 H new ATOM 1344 N GLU A 87 1.701 -6.941 -4.063 1.00 0.00 N ATOM 1345 CA GLU A 87 2.847 -7.785 -3.704 1.00 0.00 C ATOM 1346 C GLU A 87 3.593 -8.306 -4.917 1.00 0.00 C ATOM 1347 O GLU A 87 4.788 -8.129 -5.008 1.00 0.00 O ATOM 1348 CB GLU A 87 2.411 -8.993 -2.871 1.00 0.00 C ATOM 1349 CG GLU A 87 1.851 -8.668 -1.502 1.00 0.00 C ATOM 1350 CD GLU A 87 1.216 -9.887 -0.865 1.00 0.00 C ATOM 1351 OE1 GLU A 87 0.193 -10.375 -1.393 1.00 0.00 O ATOM 1352 OE2 GLU A 87 1.746 -10.383 0.144 1.00 0.00 O ATOM 0 H GLU A 87 0.821 -7.240 -3.643 1.00 0.00 H new ATOM 0 HA GLU A 87 3.510 -7.141 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.658 -9.547 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.267 -9.656 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.648 -8.293 -0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.111 -7.873 -1.589 1.00 0.00 H new