USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 840 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 122 GLN : amide:sc= 1.82 K(o=3,f=-2.8) USER MOD Set 1.2: A 123 TYR OH : rot 110:sc= 1.16 USER MOD Set 2.1: A 112 SER OG : rot 180:sc= 0.135 USER MOD Set 2.2: A 115 GLN : amide:sc= -0.0316 K(o=0.1,f=-0.41) USER MOD Set 3.1: A 84 HIS : no HE2:sc= -2.92 K(o=-3,f=-5.6!) USER MOD Set 3.2: A 93 TYR OH : rot 15:sc= -0.126 USER MOD Set 4.1: A 21 ASN : amide:sc= 1.04 K(o=2.3,f=-2.2) USER MOD Set 4.2: A 25 TYR OH : rot 175:sc= 1.29 USER MOD Set 5.1: A 17 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.646) USER MOD Set 5.2: A 117 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -130:sc= -0.527 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -0.0106 (180deg=-0.156) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -110:sc= -0.798 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot -64:sc= -0.286 USER MOD Single : A 65 THR OG1 : rot 56:sc= 0.787 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 23:sc= 0.00312 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc=-0.00251 (180deg=-0.0694) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 91:sc= 0.349 USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= 0.374 (180deg=0.129) USER MOD Single : A 100 GLN : amide:sc= 0.519 K(o=0.52,f=-0.039) USER MOD Single : A 102 LYS NZ :NH3+ -139:sc= -0.264 (180deg=-1.81) USER MOD Single : A 104 TYR OH : rot 30:sc= -0.168 USER MOD Single : A 105 LYS NZ :NH3+ -169:sc=-0.00361 (180deg=-0.128) USER MOD Single : A 107 MET CE :methyl -158:sc= -0.0742 (180deg=-0.718) USER MOD ----------------------------------------------------------------- ATOM 62 N GLY A 11 -12.200 5.696 -3.307 1.00 0.00 N ATOM 63 CA GLY A 11 -11.563 4.546 -3.928 1.00 0.00 C ATOM 64 C GLY A 11 -10.062 4.703 -4.056 1.00 0.00 C ATOM 65 O GLY A 11 -9.487 4.281 -5.055 1.00 0.00 O ATOM 0 HA2 GLY A 11 -11.781 3.654 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.993 4.389 -4.917 1.00 0.00 H new ATOM 69 N LEU A 12 -9.375 5.267 -3.002 1.00 0.00 N ATOM 70 CA LEU A 12 -7.907 5.402 -2.850 1.00 0.00 C ATOM 71 C LEU A 12 -7.310 4.010 -2.417 1.00 0.00 C ATOM 72 O LEU A 12 -8.027 3.094 -2.001 1.00 0.00 O ATOM 73 CB LEU A 12 -7.670 6.635 -1.891 1.00 0.00 C ATOM 74 CG LEU A 12 -6.345 7.341 -1.504 1.00 0.00 C ATOM 75 CD1 LEU A 12 -6.524 7.754 -0.033 1.00 0.00 C ATOM 76 CD2 LEU A 12 -5.182 6.464 -1.737 1.00 0.00 C ATOM 0 H LEU A 12 -9.872 5.656 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.364 5.631 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.297 7.428 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.112 6.336 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.140 8.217 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.624 8.262 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.377 8.427 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.698 6.867 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.269 6.988 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.281 5.560 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.135 6.194 -2.792 1.00 0.00 H new ATOM 88 N ARG A 13 -5.967 3.812 -2.534 1.00 0.00 N ATOM 89 CA ARG A 13 -5.191 2.586 -2.392 1.00 0.00 C ATOM 90 C ARG A 13 -4.211 2.803 -1.255 1.00 0.00 C ATOM 91 O ARG A 13 -3.562 3.845 -1.221 1.00 0.00 O ATOM 92 CB ARG A 13 -4.429 2.282 -3.707 1.00 0.00 C ATOM 93 CG ARG A 13 -5.364 2.062 -4.913 1.00 0.00 C ATOM 94 CD ARG A 13 -5.108 3.005 -6.102 1.00 0.00 C ATOM 95 NE ARG A 13 -5.311 4.428 -5.648 1.00 0.00 N ATOM 96 CZ ARG A 13 -4.649 5.505 -6.175 1.00 0.00 C ATOM 97 NH1 ARG A 13 -3.776 5.356 -7.212 1.00 0.00 N ATOM 98 NH2 ARG A 13 -4.865 6.745 -5.648 1.00 0.00 N ATOM 0 H ARG A 13 -5.356 4.599 -2.753 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.843 1.738 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.752 3.107 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.813 1.394 -3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.260 1.032 -5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.396 2.186 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.094 2.870 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.786 2.770 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.984 4.600 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.607 4.431 -7.608 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.292 6.169 -7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.514 6.862 -4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.378 7.554 -6.032 1.00 0.00 H new ATOM 112 N VAL A 14 -4.079 1.896 -0.247 1.00 0.00 N ATOM 113 CA VAL A 14 -3.262 2.177 0.941 1.00 0.00 C ATOM 114 C VAL A 14 -2.287 1.125 1.339 1.00 0.00 C ATOM 115 O VAL A 14 -2.291 -0.024 0.922 1.00 0.00 O ATOM 116 CB VAL A 14 -4.022 2.655 2.195 1.00 0.00 C ATOM 117 CG1 VAL A 14 -4.944 3.758 1.746 1.00 0.00 C ATOM 118 CG2 VAL A 14 -4.856 1.722 3.059 1.00 0.00 C ATOM 0 H VAL A 14 -4.526 0.979 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.696 3.022 0.550 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.196 2.891 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.507 4.132 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.358 4.569 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.635 3.372 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.295 2.284 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.651 1.282 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.221 0.930 3.457 1.00 0.00 H new ATOM 128 N VAL A 15 -1.367 1.516 2.232 1.00 0.00 N ATOM 129 CA VAL A 15 -0.378 0.616 2.817 1.00 0.00 C ATOM 130 C VAL A 15 -0.524 0.772 4.295 1.00 0.00 C ATOM 131 O VAL A 15 -0.932 1.839 4.737 1.00 0.00 O ATOM 132 CB VAL A 15 1.037 0.815 2.332 1.00 0.00 C ATOM 133 CG1 VAL A 15 1.131 0.129 0.956 1.00 0.00 C ATOM 134 CG2 VAL A 15 1.408 2.301 2.264 1.00 0.00 C ATOM 0 H VAL A 15 -1.292 2.476 2.568 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.573 -0.407 2.496 1.00 0.00 H new ATOM 0 HB VAL A 15 1.752 0.373 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.140 0.245 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.902 -0.931 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.418 0.588 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.434 2.404 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.734 2.813 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.320 2.744 3.256 1.00 0.00 H new ATOM 144 N ALA A 16 -0.255 -0.323 5.055 1.00 0.00 N ATOM 145 CA ALA A 16 -0.599 -0.430 6.457 1.00 0.00 C ATOM 146 C ALA A 16 0.547 -0.571 7.392 1.00 0.00 C ATOM 147 O ALA A 16 1.156 -1.618 7.540 1.00 0.00 O ATOM 148 CB ALA A 16 -1.559 -1.631 6.628 1.00 0.00 C ATOM 0 H ALA A 16 0.212 -1.152 4.687 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.061 0.519 6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.832 -1.732 7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.457 -1.466 6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.064 -2.543 6.293 1.00 0.00 H new ATOM 154 N LYS A 17 0.834 0.496 8.144 1.00 0.00 N ATOM 155 CA LYS A 17 1.857 0.510 9.154 1.00 0.00 C ATOM 156 C LYS A 17 1.244 1.051 10.458 1.00 0.00 C ATOM 157 O LYS A 17 1.213 2.259 10.623 1.00 0.00 O ATOM 158 CB LYS A 17 3.082 1.383 8.710 1.00 0.00 C ATOM 159 CG LYS A 17 2.950 2.306 7.473 1.00 0.00 C ATOM 160 CD LYS A 17 3.637 3.666 7.697 1.00 0.00 C ATOM 161 CE LYS A 17 5.073 3.768 7.194 1.00 0.00 C ATOM 162 NZ LYS A 17 5.664 5.096 7.480 1.00 0.00 N ATOM 0 H LYS A 17 0.342 1.385 8.053 1.00 0.00 H new ATOM 0 HA LYS A 17 2.228 -0.503 9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.361 2.009 9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.916 0.706 8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.390 1.815 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.895 2.464 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.043 4.438 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.628 3.886 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.678 2.992 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.096 3.584 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.328 5.351 6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.908 5.808 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.172 5.062 8.387 1.00 0.00 H new ATOM 176 N TRP A 18 0.746 0.252 11.456 1.00 0.00 N ATOM 177 CA TRP A 18 0.200 0.764 12.739 1.00 0.00 C ATOM 178 C TRP A 18 1.289 1.413 13.631 1.00 0.00 C ATOM 179 O TRP A 18 1.134 2.498 14.190 1.00 0.00 O ATOM 180 CB TRP A 18 -0.583 -0.330 13.534 1.00 0.00 C ATOM 181 CG TRP A 18 -1.952 -0.730 13.001 1.00 0.00 C ATOM 182 CD1 TRP A 18 -2.449 -1.911 12.506 1.00 0.00 C ATOM 183 CD2 TRP A 18 -3.079 0.095 13.293 1.00 0.00 C ATOM 184 NE1 TRP A 18 -3.833 -1.873 12.496 1.00 0.00 N ATOM 185 CE2 TRP A 18 -4.225 -0.651 13.010 1.00 0.00 C ATOM 186 CE3 TRP A 18 -3.142 1.353 13.820 1.00 0.00 C ATOM 187 CZ2 TRP A 18 -5.461 -0.151 13.288 1.00 0.00 C ATOM 188 CZ3 TRP A 18 -4.380 1.815 14.166 1.00 0.00 C ATOM 189 CH2 TRP A 18 -5.521 1.072 13.926 1.00 0.00 C ATOM 0 H TRP A 18 0.716 -0.765 11.384 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.509 1.545 12.464 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.037 -1.225 13.578 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.708 0.021 14.558 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.849 -2.745 12.174 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.452 -2.614 12.168 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.255 1.954 13.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.358 -0.689 13.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.470 2.782 14.638 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.479 1.456 14.244 1.00 0.00 H new ATOM 200 N SER A 19 2.451 0.732 13.689 1.00 0.00 N ATOM 201 CA SER A 19 3.738 1.220 14.142 1.00 0.00 C ATOM 202 C SER A 19 4.598 0.794 12.962 1.00 0.00 C ATOM 203 O SER A 19 4.286 -0.242 12.374 1.00 0.00 O ATOM 204 CB SER A 19 4.232 0.598 15.475 1.00 0.00 C ATOM 205 OG SER A 19 3.518 1.148 16.582 1.00 0.00 O ATOM 0 H SER A 19 2.502 -0.244 13.396 1.00 0.00 H new ATOM 0 HA SER A 19 3.743 2.283 14.382 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.097 -0.483 15.450 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.299 0.784 15.595 1.00 0.00 H new ATOM 0 HG SER A 19 3.841 0.743 17.414 1.00 0.00 H new ATOM 211 N SER A 20 5.672 1.548 12.581 1.00 0.00 N ATOM 212 CA SER A 20 6.619 1.245 11.477 1.00 0.00 C ATOM 213 C SER A 20 7.506 0.034 11.808 1.00 0.00 C ATOM 214 O SER A 20 8.107 0.009 12.874 1.00 0.00 O ATOM 215 CB SER A 20 7.559 2.461 11.186 1.00 0.00 C ATOM 216 OG SER A 20 6.904 3.482 10.436 1.00 0.00 O ATOM 0 H SER A 20 5.906 2.418 13.058 1.00 0.00 H new ATOM 0 HA SER A 20 6.007 1.026 10.602 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.915 2.877 12.129 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.436 2.117 10.638 1.00 0.00 H new ATOM 0 HG SER A 20 7.526 4.222 10.278 1.00 0.00 H new ATOM 222 N ASN A 21 7.577 -1.025 10.947 1.00 0.00 N ATOM 223 CA ASN A 21 8.232 -2.306 11.271 1.00 0.00 C ATOM 224 C ASN A 21 9.597 -2.542 10.651 1.00 0.00 C ATOM 225 O ASN A 21 10.291 -3.526 10.905 1.00 0.00 O ATOM 226 CB ASN A 21 7.247 -3.385 10.709 1.00 0.00 C ATOM 227 CG ASN A 21 7.168 -4.763 11.379 1.00 0.00 C ATOM 228 OD1 ASN A 21 6.172 -5.458 11.136 1.00 0.00 O ATOM 229 ND2 ASN A 21 8.153 -5.148 12.219 1.00 0.00 N ATOM 0 H ASN A 21 7.177 -1.002 10.009 1.00 0.00 H new ATOM 0 HA ASN A 21 8.421 -2.332 12.344 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.246 -2.955 10.730 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.503 -3.546 9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.098 -6.051 12.689 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.952 -4.535 12.383 1.00 0.00 H new ATOM 236 N GLY A 22 9.899 -1.664 9.695 1.00 0.00 N ATOM 237 CA GLY A 22 10.941 -1.770 8.683 1.00 0.00 C ATOM 238 C GLY A 22 10.270 -1.984 7.359 1.00 0.00 C ATOM 239 O GLY A 22 10.831 -1.682 6.313 1.00 0.00 O ATOM 0 H GLY A 22 9.378 -0.792 9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.548 -0.865 8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.612 -2.598 8.910 1.00 0.00 H new ATOM 243 N TYR A 23 8.997 -2.439 7.415 1.00 0.00 N ATOM 244 CA TYR A 23 8.002 -2.579 6.366 1.00 0.00 C ATOM 245 C TYR A 23 6.601 -2.113 6.760 1.00 0.00 C ATOM 246 O TYR A 23 6.299 -1.938 7.941 1.00 0.00 O ATOM 247 CB TYR A 23 7.977 -3.962 5.640 1.00 0.00 C ATOM 248 CG TYR A 23 9.060 -4.927 6.052 1.00 0.00 C ATOM 249 CD1 TYR A 23 8.998 -5.572 7.276 1.00 0.00 C ATOM 250 CD2 TYR A 23 10.127 -5.197 5.211 1.00 0.00 C ATOM 251 CE1 TYR A 23 9.997 -6.441 7.665 1.00 0.00 C ATOM 252 CE2 TYR A 23 11.124 -6.072 5.594 1.00 0.00 C ATOM 253 CZ TYR A 23 11.053 -6.697 6.818 1.00 0.00 C ATOM 254 OH TYR A 23 12.043 -7.622 7.192 1.00 0.00 O ATOM 0 H TYR A 23 8.614 -2.749 8.308 1.00 0.00 H new ATOM 0 HA TYR A 23 8.363 -1.875 5.616 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.009 -4.430 5.819 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.055 -3.791 4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.159 -5.393 7.933 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.180 -4.718 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.951 -6.920 8.632 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.957 -6.265 4.935 1.00 0.00 H new ATOM 0 HH TYR A 23 12.715 -7.687 6.482 1.00 0.00 H new ATOM 264 N PHE A 24 5.698 -1.963 5.733 1.00 0.00 N ATOM 265 CA PHE A 24 4.255 -1.707 5.774 1.00 0.00 C ATOM 266 C PHE A 24 3.628 -2.914 5.097 1.00 0.00 C ATOM 267 O PHE A 24 4.186 -3.490 4.159 1.00 0.00 O ATOM 268 CB PHE A 24 3.661 -0.371 5.135 1.00 0.00 C ATOM 269 CG PHE A 24 4.634 0.766 4.868 1.00 0.00 C ATOM 270 CD1 PHE A 24 5.649 0.945 5.773 1.00 0.00 C ATOM 271 CD2 PHE A 24 4.574 1.660 3.778 1.00 0.00 C ATOM 272 CE1 PHE A 24 6.730 1.703 5.460 1.00 0.00 C ATOM 273 CE2 PHE A 24 5.643 2.491 3.514 1.00 0.00 C ATOM 274 CZ PHE A 24 6.739 2.466 4.339 1.00 0.00 C ATOM 0 H PHE A 24 6.019 -2.029 4.767 1.00 0.00 H new ATOM 0 HA PHE A 24 4.015 -1.548 6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.181 -0.633 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.880 0.002 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.587 0.478 6.745 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.694 1.694 3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.592 1.699 6.110 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.617 3.157 2.664 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.611 3.055 4.095 1.00 0.00 H new ATOM 284 N TYR A 25 2.399 -3.208 5.559 1.00 0.00 N ATOM 285 CA TYR A 25 1.382 -4.185 5.225 1.00 0.00 C ATOM 286 C TYR A 25 0.398 -3.570 4.203 1.00 0.00 C ATOM 287 O TYR A 25 0.668 -2.552 3.574 1.00 0.00 O ATOM 288 CB TYR A 25 0.740 -4.814 6.503 1.00 0.00 C ATOM 289 CG TYR A 25 1.817 -5.417 7.396 1.00 0.00 C ATOM 290 CD1 TYR A 25 2.335 -6.673 7.122 1.00 0.00 C ATOM 291 CD2 TYR A 25 2.310 -4.745 8.510 1.00 0.00 C ATOM 292 CE1 TYR A 25 3.280 -7.249 7.952 1.00 0.00 C ATOM 293 CE2 TYR A 25 3.284 -5.307 9.326 1.00 0.00 C ATOM 294 CZ TYR A 25 3.752 -6.580 9.061 1.00 0.00 C ATOM 295 OH TYR A 25 4.686 -7.219 9.914 1.00 0.00 O ATOM 0 H TYR A 25 2.047 -2.639 6.329 1.00 0.00 H new ATOM 0 HA TYR A 25 1.827 -5.046 4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.187 -4.052 7.053 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.023 -5.584 6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.996 -7.210 6.248 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.927 -3.763 8.746 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.653 -8.237 7.728 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.674 -4.750 10.165 1.00 0.00 H new ATOM 0 HH TYR A 25 4.983 -6.590 10.604 1.00 0.00 H new ATOM 305 N SER A 26 -0.698 -4.272 3.878 1.00 0.00 N ATOM 306 CA SER A 26 -1.648 -4.007 2.789 1.00 0.00 C ATOM 307 C SER A 26 -3.100 -3.528 3.114 1.00 0.00 C ATOM 308 O SER A 26 -3.845 -4.258 3.769 1.00 0.00 O ATOM 309 CB SER A 26 -1.653 -5.424 2.122 1.00 0.00 C ATOM 310 OG SER A 26 -2.866 -5.842 1.485 1.00 0.00 O ATOM 0 H SER A 26 -0.962 -5.101 4.410 1.00 0.00 H new ATOM 0 HA SER A 26 -1.331 -3.141 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.855 -5.451 1.380 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.402 -6.159 2.887 1.00 0.00 H new ATOM 0 HG SER A 26 -3.108 -6.739 1.798 1.00 0.00 H new ATOM 316 N GLY A 27 -3.558 -2.342 2.589 1.00 0.00 N ATOM 317 CA GLY A 27 -4.895 -1.743 2.791 1.00 0.00 C ATOM 318 C GLY A 27 -5.596 -1.083 1.587 1.00 0.00 C ATOM 319 O GLY A 27 -4.985 -0.769 0.565 1.00 0.00 O ATOM 0 H GLY A 27 -2.968 -1.765 1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.554 -2.524 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.806 -0.991 3.575 1.00 0.00 H new ATOM 323 N LYS A 28 -6.939 -0.820 1.711 1.00 0.00 N ATOM 324 CA LYS A 28 -7.787 -0.066 0.765 1.00 0.00 C ATOM 325 C LYS A 28 -8.465 1.159 1.441 1.00 0.00 C ATOM 326 O LYS A 28 -8.870 0.995 2.587 1.00 0.00 O ATOM 327 CB LYS A 28 -8.970 -0.923 0.220 1.00 0.00 C ATOM 328 CG LYS A 28 -8.605 -2.285 -0.386 1.00 0.00 C ATOM 329 CD LYS A 28 -9.835 -3.046 -0.921 1.00 0.00 C ATOM 330 CE LYS A 28 -10.825 -3.450 0.186 1.00 0.00 C ATOM 331 NZ LYS A 28 -11.854 -4.385 -0.325 1.00 0.00 N ATOM 0 H LYS A 28 -7.470 -1.150 2.517 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.106 0.233 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.675 -1.090 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.492 -0.341 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.892 -2.138 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.107 -2.893 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.351 -2.423 -1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.501 -3.941 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.283 -3.917 1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.308 -2.559 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.506 -4.638 0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.386 -3.929 -1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.393 -5.245 -0.686 1.00 0.00 H new ATOM 345 N ILE A 29 -8.702 2.382 0.819 1.00 0.00 N ATOM 346 CA ILE A 29 -9.564 3.404 1.479 1.00 0.00 C ATOM 347 C ILE A 29 -11.052 3.232 1.146 1.00 0.00 C ATOM 348 O ILE A 29 -11.417 2.739 0.083 1.00 0.00 O ATOM 349 CB ILE A 29 -9.152 4.854 1.142 1.00 0.00 C ATOM 350 CG1 ILE A 29 -7.802 5.227 1.758 1.00 0.00 C ATOM 351 CG2 ILE A 29 -10.094 5.969 1.636 1.00 0.00 C ATOM 352 CD1 ILE A 29 -7.618 4.797 3.211 1.00 0.00 C ATOM 0 H ILE A 29 -8.323 2.656 -0.088 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.412 3.233 2.545 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.157 4.821 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.009 4.779 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.677 6.308 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.697 6.939 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.082 5.831 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.170 5.926 2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.632 5.105 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.384 5.266 3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.706 3.713 3.284 1.00 0.00 H new ATOM 364 N THR A 30 -11.931 3.687 2.087 1.00 0.00 N ATOM 365 CA THR A 30 -13.380 3.806 1.934 1.00 0.00 C ATOM 366 C THR A 30 -13.771 5.282 1.988 1.00 0.00 C ATOM 367 O THR A 30 -14.616 5.729 1.213 1.00 0.00 O ATOM 368 CB THR A 30 -14.153 2.961 2.935 1.00 0.00 C ATOM 369 OG1 THR A 30 -13.742 1.613 2.780 1.00 0.00 O ATOM 370 CG2 THR A 30 -15.674 2.999 2.686 1.00 0.00 C ATOM 0 H THR A 30 -11.616 3.990 3.008 1.00 0.00 H new ATOM 0 HA THR A 30 -13.657 3.404 0.959 1.00 0.00 H new ATOM 0 HB THR A 30 -13.951 3.358 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.227 1.048 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.180 2.380 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.030 4.026 2.767 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.889 2.618 1.688 1.00 0.00 H new ATOM 378 N ARG A 31 -13.153 6.112 2.891 1.00 0.00 N ATOM 379 CA ARG A 31 -13.424 7.541 2.970 1.00 0.00 C ATOM 380 C ARG A 31 -12.180 8.105 3.619 1.00 0.00 C ATOM 381 O ARG A 31 -11.339 7.369 4.112 1.00 0.00 O ATOM 382 CB ARG A 31 -14.644 7.964 3.857 1.00 0.00 C ATOM 383 CG ARG A 31 -16.022 7.382 3.495 1.00 0.00 C ATOM 384 CD ARG A 31 -17.091 7.861 4.487 1.00 0.00 C ATOM 385 NE ARG A 31 -18.394 7.188 4.153 1.00 0.00 N ATOM 386 CZ ARG A 31 -19.528 7.344 4.905 1.00 0.00 C ATOM 387 NH1 ARG A 31 -19.531 8.138 6.014 1.00 0.00 N ATOM 388 NH2 ARG A 31 -20.672 6.697 4.536 1.00 0.00 N ATOM 0 H ARG A 31 -12.463 5.787 3.568 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.668 7.900 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.422 7.687 4.888 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.720 9.051 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.296 7.684 2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.975 6.293 3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.793 7.622 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.200 8.944 4.432 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.435 6.588 3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.680 8.626 6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.384 8.244 6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.677 6.103 3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.521 6.807 5.090 1.00 0.00 H new ATOM 402 N ASP A 32 -12.016 9.441 3.704 1.00 0.00 N ATOM 403 CA ASP A 32 -10.953 10.081 4.499 1.00 0.00 C ATOM 404 C ASP A 32 -11.507 10.467 5.885 1.00 0.00 C ATOM 405 O ASP A 32 -12.716 10.636 6.034 1.00 0.00 O ATOM 406 CB ASP A 32 -10.299 11.302 3.773 1.00 0.00 C ATOM 407 CG ASP A 32 -11.285 12.410 3.363 1.00 0.00 C ATOM 408 OD1 ASP A 32 -12.166 12.142 2.503 1.00 0.00 O ATOM 409 OD2 ASP A 32 -11.157 13.540 3.904 1.00 0.00 O ATOM 0 H ASP A 32 -12.620 10.106 3.221 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.149 9.356 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.541 11.733 4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.784 10.944 2.881 1.00 0.00 H new ATOM 414 N VAL A 33 -10.668 10.634 6.943 1.00 0.00 N ATOM 415 CA VAL A 33 -11.164 11.124 8.235 1.00 0.00 C ATOM 416 C VAL A 33 -10.371 12.394 8.503 1.00 0.00 C ATOM 417 O VAL A 33 -9.152 12.394 8.577 1.00 0.00 O ATOM 418 CB VAL A 33 -11.173 10.103 9.415 1.00 0.00 C ATOM 419 CG1 VAL A 33 -12.627 9.583 9.530 1.00 0.00 C ATOM 420 CG2 VAL A 33 -10.179 8.915 9.294 1.00 0.00 C ATOM 0 H VAL A 33 -9.667 10.438 6.918 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.235 11.316 8.169 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.829 10.627 10.307 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.692 8.861 10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.297 10.419 9.731 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.917 9.102 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.273 8.272 10.169 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.406 8.341 8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.160 9.298 9.233 1.00 0.00 H new ATOM 430 N GLY A 34 -11.069 13.548 8.662 1.00 0.00 N ATOM 431 CA GLY A 34 -10.551 14.919 8.877 1.00 0.00 C ATOM 432 C GLY A 34 -9.376 15.419 8.031 1.00 0.00 C ATOM 433 O GLY A 34 -9.321 15.247 6.816 1.00 0.00 O ATOM 0 H GLY A 34 -12.089 13.540 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.381 15.610 8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.257 14.998 9.924 1.00 0.00 H new ATOM 437 N ALA A 35 -8.392 16.065 8.701 1.00 0.00 N ATOM 438 CA ALA A 35 -7.071 16.414 8.198 1.00 0.00 C ATOM 439 C ALA A 35 -6.089 15.477 8.855 1.00 0.00 C ATOM 440 O ALA A 35 -6.004 15.423 10.080 1.00 0.00 O ATOM 441 CB ALA A 35 -6.707 17.888 8.488 1.00 0.00 C ATOM 0 H ALA A 35 -8.523 16.369 9.666 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.048 16.310 7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.713 18.102 8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.435 18.543 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.716 18.060 9.564 1.00 0.00 H new ATOM 447 N GLY A 36 -5.311 14.735 8.045 1.00 0.00 N ATOM 448 CA GLY A 36 -4.272 13.859 8.533 1.00 0.00 C ATOM 449 C GLY A 36 -4.684 12.433 8.697 1.00 0.00 C ATOM 450 O GLY A 36 -3.797 11.615 8.888 1.00 0.00 O ATOM 0 H GLY A 36 -5.400 14.739 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.427 13.902 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.921 14.234 9.494 1.00 0.00 H new ATOM 454 N LYS A 37 -5.997 12.057 8.651 1.00 0.00 N ATOM 455 CA LYS A 37 -6.439 10.674 8.830 1.00 0.00 C ATOM 456 C LYS A 37 -7.144 10.118 7.587 1.00 0.00 C ATOM 457 O LYS A 37 -7.589 10.828 6.682 1.00 0.00 O ATOM 458 CB LYS A 37 -7.328 10.441 10.112 1.00 0.00 C ATOM 459 CG LYS A 37 -7.144 11.285 11.379 1.00 0.00 C ATOM 460 CD LYS A 37 -8.480 11.818 11.920 1.00 0.00 C ATOM 461 CE LYS A 37 -8.306 12.718 13.149 1.00 0.00 C ATOM 462 NZ LYS A 37 -9.614 13.222 13.624 1.00 0.00 N ATOM 0 H LYS A 37 -6.760 12.714 8.489 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.515 10.117 8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.367 10.557 9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.196 9.399 10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.657 10.684 12.147 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.481 12.123 11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.988 12.378 11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.123 10.977 12.179 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.815 12.160 13.947 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.657 13.558 12.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.471 13.829 14.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.069 13.773 12.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.223 12.419 13.882 1.00 0.00 H new ATOM 476 N TYR A 38 -7.317 8.759 7.570 1.00 0.00 N ATOM 477 CA TYR A 38 -8.009 7.952 6.554 1.00 0.00 C ATOM 478 C TYR A 38 -8.933 6.882 7.184 1.00 0.00 C ATOM 479 O TYR A 38 -8.657 6.407 8.287 1.00 0.00 O ATOM 480 CB TYR A 38 -6.972 7.282 5.627 1.00 0.00 C ATOM 481 CG TYR A 38 -6.192 8.340 4.903 1.00 0.00 C ATOM 482 CD1 TYR A 38 -6.832 9.193 4.024 1.00 0.00 C ATOM 483 CD2 TYR A 38 -4.860 8.552 5.201 1.00 0.00 C ATOM 484 CE1 TYR A 38 -6.182 10.310 3.543 1.00 0.00 C ATOM 485 CE2 TYR A 38 -4.182 9.629 4.668 1.00 0.00 C ATOM 486 CZ TYR A 38 -4.869 10.532 3.879 1.00 0.00 C ATOM 487 OH TYR A 38 -4.227 11.673 3.363 1.00 0.00 O ATOM 0 H TYR A 38 -6.947 8.176 8.321 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.644 8.623 5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -6.299 6.654 6.210 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.475 6.632 4.911 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.845 8.984 3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.344 7.868 5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.703 11.008 2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.129 9.765 4.865 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.302 11.702 3.685 1.00 0.00 H new ATOM 497 N LYS A 39 -10.088 6.500 6.530 1.00 0.00 N ATOM 498 CA LYS A 39 -11.120 5.536 6.959 1.00 0.00 C ATOM 499 C LYS A 39 -10.991 4.478 5.916 1.00 0.00 C ATOM 500 O LYS A 39 -11.212 4.643 4.706 1.00 0.00 O ATOM 501 CB LYS A 39 -12.531 6.192 7.014 1.00 0.00 C ATOM 502 CG LYS A 39 -13.749 5.323 6.638 1.00 0.00 C ATOM 503 CD LYS A 39 -14.063 4.155 7.584 1.00 0.00 C ATOM 504 CE LYS A 39 -15.196 3.275 7.032 1.00 0.00 C ATOM 505 NZ LYS A 39 -16.439 4.050 6.802 1.00 0.00 N ATOM 0 H LYS A 39 -10.319 6.901 5.621 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.992 5.149 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.687 6.565 8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.522 7.059 6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.627 5.967 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.588 4.921 5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.168 3.550 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.346 4.543 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.876 2.817 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.399 2.464 7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.214 3.400 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.685 4.576 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.291 4.719 6.019 1.00 0.00 H new ATOM 519 N LEU A 40 -10.468 3.360 6.421 1.00 0.00 N ATOM 520 CA LEU A 40 -9.922 2.336 5.578 1.00 0.00 C ATOM 521 C LEU A 40 -10.326 0.948 5.906 1.00 0.00 C ATOM 522 O LEU A 40 -10.695 0.598 7.023 1.00 0.00 O ATOM 523 CB LEU A 40 -8.393 2.499 5.608 1.00 0.00 C ATOM 524 CG LEU A 40 -7.661 2.076 6.897 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.379 2.331 8.224 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.141 0.629 6.757 1.00 0.00 C ATOM 0 H LEU A 40 -10.418 3.155 7.419 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.333 2.476 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.977 1.925 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.162 3.547 5.418 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.819 2.764 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.754 1.987 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.570 3.398 8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.325 1.790 8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.625 0.338 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.981 -0.044 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.450 0.571 5.916 1.00 0.00 H new ATOM 538 N LEU A 41 -10.246 0.049 4.925 1.00 0.00 N ATOM 539 CA LEU A 41 -10.483 -1.338 5.188 1.00 0.00 C ATOM 540 C LEU A 41 -9.348 -2.114 4.598 1.00 0.00 C ATOM 541 O LEU A 41 -8.937 -1.827 3.483 1.00 0.00 O ATOM 542 CB LEU A 41 -11.923 -1.480 4.676 1.00 0.00 C ATOM 543 CG LEU A 41 -12.680 -2.812 4.852 1.00 0.00 C ATOM 544 CD1 LEU A 41 -14.207 -2.587 4.883 1.00 0.00 C ATOM 545 CD2 LEU A 41 -12.409 -3.739 3.670 1.00 0.00 C ATOM 0 H LEU A 41 -10.020 0.270 3.955 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.467 -1.736 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.516 -0.704 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.911 -1.253 3.610 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.334 -3.246 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.713 -3.544 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.461 -1.931 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.526 -2.127 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.951 -4.675 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.742 -3.261 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.340 -3.944 3.606 1.00 0.00 H new ATOM 557 N PHE A 42 -8.781 -3.171 5.253 1.00 0.00 N ATOM 558 CA PHE A 42 -7.745 -4.041 4.638 1.00 0.00 C ATOM 559 C PHE A 42 -8.402 -4.927 3.570 1.00 0.00 C ATOM 560 O PHE A 42 -9.560 -5.301 3.725 1.00 0.00 O ATOM 561 CB PHE A 42 -6.952 -5.006 5.603 1.00 0.00 C ATOM 562 CG PHE A 42 -5.985 -4.306 6.546 1.00 0.00 C ATOM 563 CD1 PHE A 42 -6.341 -3.253 7.383 1.00 0.00 C ATOM 564 CD2 PHE A 42 -4.686 -4.784 6.646 1.00 0.00 C ATOM 565 CE1 PHE A 42 -5.431 -2.690 8.256 1.00 0.00 C ATOM 566 CE2 PHE A 42 -3.778 -4.229 7.523 1.00 0.00 C ATOM 567 CZ PHE A 42 -4.147 -3.179 8.334 1.00 0.00 C ATOM 0 H PHE A 42 -9.028 -3.436 6.206 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.013 -3.332 4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.669 -5.575 6.195 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.395 -5.724 5.000 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.350 -2.868 7.349 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.379 -5.610 6.022 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.729 -1.861 8.881 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.772 -4.620 7.574 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.438 -2.745 9.023 1.00 0.00 H new ATOM 577 N ASP A 43 -7.694 -5.322 2.472 1.00 0.00 N ATOM 578 CA ASP A 43 -8.174 -6.152 1.331 1.00 0.00 C ATOM 579 C ASP A 43 -8.833 -7.494 1.676 1.00 0.00 C ATOM 580 O ASP A 43 -9.582 -8.100 0.914 1.00 0.00 O ATOM 581 CB ASP A 43 -7.017 -6.445 0.339 1.00 0.00 C ATOM 582 CG ASP A 43 -6.468 -5.118 -0.178 1.00 0.00 C ATOM 583 OD1 ASP A 43 -5.748 -4.414 0.582 1.00 0.00 O ATOM 584 OD2 ASP A 43 -6.761 -4.793 -1.356 1.00 0.00 O ATOM 0 H ASP A 43 -6.717 -5.053 2.355 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.958 -5.530 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.229 -7.013 0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.376 -7.054 -0.490 1.00 0.00 H new ATOM 589 N ASP A 44 -8.522 -7.913 2.912 1.00 0.00 N ATOM 590 CA ASP A 44 -8.939 -9.072 3.648 1.00 0.00 C ATOM 591 C ASP A 44 -10.099 -8.800 4.648 1.00 0.00 C ATOM 592 O ASP A 44 -10.634 -9.739 5.230 1.00 0.00 O ATOM 593 CB ASP A 44 -7.623 -9.691 4.219 1.00 0.00 C ATOM 594 CG ASP A 44 -6.927 -8.857 5.309 1.00 0.00 C ATOM 595 OD1 ASP A 44 -7.458 -8.787 6.450 1.00 0.00 O ATOM 596 OD2 ASP A 44 -5.840 -8.293 5.011 1.00 0.00 O ATOM 0 H ASP A 44 -7.883 -7.355 3.478 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.430 -9.815 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.851 -10.676 4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.924 -9.841 3.396 1.00 0.00 H new ATOM 601 N GLY A 45 -10.569 -7.517 4.823 1.00 0.00 N ATOM 602 CA GLY A 45 -11.808 -7.142 5.518 1.00 0.00 C ATOM 603 C GLY A 45 -11.743 -6.597 6.921 1.00 0.00 C ATOM 604 O GLY A 45 -12.762 -6.580 7.603 1.00 0.00 O ATOM 0 H GLY A 45 -10.064 -6.707 4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.313 -6.397 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.448 -8.024 5.541 1.00 0.00 H new ATOM 608 N TYR A 46 -10.576 -6.099 7.397 1.00 0.00 N ATOM 609 CA TYR A 46 -10.410 -5.465 8.708 1.00 0.00 C ATOM 610 C TYR A 46 -10.551 -3.952 8.522 1.00 0.00 C ATOM 611 O TYR A 46 -9.646 -3.310 7.998 1.00 0.00 O ATOM 612 CB TYR A 46 -9.015 -5.849 9.325 1.00 0.00 C ATOM 613 CG TYR A 46 -8.778 -5.386 10.756 1.00 0.00 C ATOM 614 CD1 TYR A 46 -8.344 -4.095 11.034 1.00 0.00 C ATOM 615 CD2 TYR A 46 -8.936 -6.265 11.817 1.00 0.00 C ATOM 616 CE1 TYR A 46 -8.107 -3.685 12.333 1.00 0.00 C ATOM 617 CE2 TYR A 46 -8.670 -5.865 13.114 1.00 0.00 C ATOM 618 CZ TYR A 46 -8.258 -4.574 13.377 1.00 0.00 C ATOM 619 OH TYR A 46 -7.974 -4.163 14.701 1.00 0.00 O ATOM 0 H TYR A 46 -9.710 -6.133 6.860 1.00 0.00 H new ATOM 0 HA TYR A 46 -11.172 -5.813 9.405 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.909 -6.933 9.291 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.231 -5.432 8.693 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.189 -3.400 10.222 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.271 -7.274 11.628 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.803 -2.668 12.531 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.785 -6.567 13.926 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.133 -4.909 15.316 1.00 0.00 H new ATOM 629 N GLU A 47 -11.678 -3.323 8.952 1.00 0.00 N ATOM 630 CA GLU A 47 -11.883 -1.873 8.856 1.00 0.00 C ATOM 631 C GLU A 47 -11.716 -1.148 10.156 1.00 0.00 C ATOM 632 O GLU A 47 -11.889 -1.686 11.253 1.00 0.00 O ATOM 633 CB GLU A 47 -13.155 -1.456 8.077 1.00 0.00 C ATOM 634 CG GLU A 47 -13.583 0.038 8.006 1.00 0.00 C ATOM 635 CD GLU A 47 -14.513 0.396 9.168 1.00 0.00 C ATOM 636 OE1 GLU A 47 -15.549 -0.303 9.329 1.00 0.00 O ATOM 637 OE2 GLU A 47 -14.211 1.377 9.898 1.00 0.00 O ATOM 0 H GLU A 47 -12.464 -3.818 9.374 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.057 -1.533 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.033 -1.805 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.990 -2.010 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.699 0.675 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.087 0.231 7.059 1.00 0.00 H new ATOM 644 N CYS A 48 -11.302 0.138 10.002 1.00 0.00 N ATOM 645 CA CYS A 48 -10.897 0.951 11.111 1.00 0.00 C ATOM 646 C CYS A 48 -10.863 2.360 10.583 1.00 0.00 C ATOM 647 O CYS A 48 -11.048 2.575 9.387 1.00 0.00 O ATOM 648 CB CYS A 48 -9.478 0.487 11.613 1.00 0.00 C ATOM 649 SG CYS A 48 -8.309 -0.260 10.411 1.00 0.00 S ATOM 0 H CYS A 48 -11.251 0.610 9.099 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.574 0.872 11.962 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.986 1.353 12.055 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.633 -0.236 12.414 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.167 -1.525 10.673 1.00 0.00 H new ATOM 655 N ASP A 49 -10.550 3.363 11.439 1.00 0.00 N ATOM 656 CA ASP A 49 -10.186 4.701 10.980 1.00 0.00 C ATOM 657 C ASP A 49 -8.843 4.864 11.651 1.00 0.00 C ATOM 658 O ASP A 49 -8.665 4.413 12.788 1.00 0.00 O ATOM 659 CB ASP A 49 -11.043 5.930 11.422 1.00 0.00 C ATOM 660 CG ASP A 49 -12.527 5.586 11.545 1.00 0.00 C ATOM 661 OD1 ASP A 49 -12.907 4.934 12.553 1.00 0.00 O ATOM 662 OD2 ASP A 49 -13.304 5.985 10.637 1.00 0.00 O ATOM 0 H ASP A 49 -10.546 3.257 12.453 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.281 4.723 9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.677 6.300 12.380 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.918 6.737 10.700 1.00 0.00 H new ATOM 667 N VAL A 50 -7.862 5.461 10.955 1.00 0.00 N ATOM 668 CA VAL A 50 -6.493 5.558 11.427 1.00 0.00 C ATOM 669 C VAL A 50 -5.856 6.831 10.938 1.00 0.00 C ATOM 670 O VAL A 50 -6.361 7.458 10.009 1.00 0.00 O ATOM 671 CB VAL A 50 -5.643 4.417 10.872 1.00 0.00 C ATOM 672 CG1 VAL A 50 -6.141 3.070 11.432 1.00 0.00 C ATOM 673 CG2 VAL A 50 -5.717 4.453 9.328 1.00 0.00 C ATOM 0 H VAL A 50 -8.010 5.890 10.042 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.532 5.524 12.516 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.603 4.533 11.177 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.530 2.261 11.032 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.065 3.078 12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.180 2.917 11.142 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.114 3.644 8.916 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.753 4.332 9.010 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.336 5.409 8.968 1.00 0.00 H new ATOM 683 N LEU A 51 -4.669 7.214 11.504 1.00 0.00 N ATOM 684 CA LEU A 51 -3.890 8.371 11.074 1.00 0.00 C ATOM 685 C LEU A 51 -3.037 8.093 9.854 1.00 0.00 C ATOM 686 O LEU A 51 -2.713 6.959 9.501 1.00 0.00 O ATOM 687 CB LEU A 51 -3.101 8.948 12.300 1.00 0.00 C ATOM 688 CG LEU A 51 -2.841 10.478 12.421 1.00 0.00 C ATOM 689 CD1 LEU A 51 -1.751 11.079 11.526 1.00 0.00 C ATOM 690 CD2 LEU A 51 -4.122 11.289 12.275 1.00 0.00 C ATOM 0 H LEU A 51 -4.241 6.707 12.279 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.571 9.148 10.728 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.634 8.640 13.200 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.130 8.454 12.319 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.444 10.556 13.433 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.676 12.150 11.713 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.795 10.604 11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.005 10.910 10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.893 12.351 12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.565 11.096 11.298 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.826 11.001 13.056 1.00 0.00 H new ATOM 702 N GLY A 52 -2.790 9.160 9.060 1.00 0.00 N ATOM 703 CA GLY A 52 -2.431 9.087 7.660 1.00 0.00 C ATOM 704 C GLY A 52 -0.969 8.834 7.345 1.00 0.00 C ATOM 705 O GLY A 52 -0.524 8.826 6.204 1.00 0.00 O ATOM 0 H GLY A 52 -2.842 10.118 9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.021 8.295 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.725 10.022 7.184 1.00 0.00 H new ATOM 709 N LYS A 53 -0.170 8.596 8.403 1.00 0.00 N ATOM 710 CA LYS A 53 1.212 8.126 8.335 1.00 0.00 C ATOM 711 C LYS A 53 1.223 6.641 8.786 1.00 0.00 C ATOM 712 O LYS A 53 2.269 6.046 9.023 1.00 0.00 O ATOM 713 CB LYS A 53 2.229 9.014 9.136 1.00 0.00 C ATOM 714 CG LYS A 53 2.507 8.737 10.637 1.00 0.00 C ATOM 715 CD LYS A 53 1.319 8.908 11.595 1.00 0.00 C ATOM 716 CE LYS A 53 1.516 8.238 12.967 1.00 0.00 C ATOM 717 NZ LYS A 53 2.655 8.832 13.702 1.00 0.00 N ATOM 0 H LYS A 53 -0.489 8.734 9.362 1.00 0.00 H new ATOM 0 HA LYS A 53 1.565 8.210 7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.185 8.956 8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.886 10.046 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.879 7.717 10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.308 9.400 10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.138 9.972 11.745 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.426 8.495 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.606 8.342 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.687 7.170 12.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.760 8.358 14.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.527 8.710 13.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.480 9.846 13.853 1.00 0.00 H new ATOM 731 N ASP A 54 0.021 6.007 8.941 1.00 0.00 N ATOM 732 CA ASP A 54 -0.179 4.634 9.367 1.00 0.00 C ATOM 733 C ASP A 54 -0.846 3.850 8.261 1.00 0.00 C ATOM 734 O ASP A 54 -0.199 3.134 7.507 1.00 0.00 O ATOM 735 CB ASP A 54 -1.012 4.470 10.680 1.00 0.00 C ATOM 736 CG ASP A 54 -0.320 5.174 11.847 1.00 0.00 C ATOM 737 OD1 ASP A 54 0.863 4.838 12.126 1.00 0.00 O ATOM 738 OD2 ASP A 54 -0.970 6.047 12.480 1.00 0.00 O ATOM 0 H ASP A 54 -0.861 6.485 8.757 1.00 0.00 H new ATOM 0 HA ASP A 54 0.817 4.250 9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.010 4.885 10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.136 3.412 10.909 1.00 0.00 H new ATOM 743 N ILE A 55 -2.190 3.909 8.096 1.00 0.00 N ATOM 744 CA ILE A 55 -2.847 3.178 7.009 1.00 0.00 C ATOM 745 C ILE A 55 -3.403 4.275 6.121 1.00 0.00 C ATOM 746 O ILE A 55 -4.403 4.931 6.408 1.00 0.00 O ATOM 747 CB ILE A 55 -3.821 2.106 7.523 1.00 0.00 C ATOM 748 CG1 ILE A 55 -3.576 1.639 9.001 1.00 0.00 C ATOM 749 CG2 ILE A 55 -3.902 0.934 6.520 1.00 0.00 C ATOM 750 CD1 ILE A 55 -2.303 0.851 9.352 1.00 0.00 C ATOM 0 H ILE A 55 -2.820 4.445 8.692 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.183 2.547 6.418 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.800 2.582 7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.591 2.529 9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.429 1.027 9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.595 0.181 6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.254 1.303 5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.914 0.490 6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.304 0.614 10.416 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.276 -0.073 8.774 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.426 1.453 9.115 1.00 0.00 H new ATOM 762 N LEU A 56 -2.620 4.529 5.049 1.00 0.00 N ATOM 763 CA LEU A 56 -2.660 5.761 4.288 1.00 0.00 C ATOM 764 C LEU A 56 -2.682 5.714 2.813 1.00 0.00 C ATOM 765 O LEU A 56 -2.134 4.766 2.242 1.00 0.00 O ATOM 766 CB LEU A 56 -1.425 6.593 4.663 1.00 0.00 C ATOM 767 CG LEU A 56 -0.012 6.306 4.068 1.00 0.00 C ATOM 768 CD1 LEU A 56 0.505 4.872 4.095 1.00 0.00 C ATOM 769 CD2 LEU A 56 0.230 6.818 2.651 1.00 0.00 C ATOM 0 H LEU A 56 -1.936 3.860 4.696 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.634 6.167 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.661 7.629 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.326 6.533 5.747 1.00 0.00 H new ATOM 0 HG LEU A 56 0.551 6.887 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.498 4.835 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.559 4.524 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.172 4.230 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.243 6.563 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.486 6.357 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.106 7.901 2.629 1.00 0.00 H new ATOM 781 N LEU A 57 -3.180 6.825 2.165 1.00 0.00 N ATOM 782 CA LEU A 57 -3.234 7.189 0.767 1.00 0.00 C ATOM 783 C LEU A 57 -1.961 7.112 0.008 1.00 0.00 C ATOM 784 O LEU A 57 -1.030 7.886 0.079 1.00 0.00 O ATOM 785 CB LEU A 57 -3.767 8.671 0.652 1.00 0.00 C ATOM 786 CG LEU A 57 -3.007 10.009 0.887 1.00 0.00 C ATOM 787 CD1 LEU A 57 -1.998 9.989 2.034 1.00 0.00 C ATOM 788 CD2 LEU A 57 -2.448 10.646 -0.402 1.00 0.00 C ATOM 0 H LEU A 57 -3.603 7.566 2.724 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.889 6.443 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.159 8.748 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.621 8.713 1.328 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.791 10.683 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.522 10.966 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.512 9.756 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.239 9.231 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.933 11.574 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.748 9.957 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.268 10.858 -1.088 1.00 0.00 H new ATOM 800 N CYS A 58 -1.859 6.048 -0.742 1.00 0.00 N ATOM 801 CA CYS A 58 -0.724 5.702 -1.467 1.00 0.00 C ATOM 802 C CYS A 58 -1.221 5.549 -2.902 1.00 0.00 C ATOM 803 O CYS A 58 -2.408 5.587 -3.216 1.00 0.00 O ATOM 804 CB CYS A 58 -0.171 4.506 -0.630 1.00 0.00 C ATOM 805 SG CYS A 58 1.632 4.626 -0.334 1.00 0.00 S ATOM 0 H CYS A 58 -2.622 5.380 -0.852 1.00 0.00 H new ATOM 0 HA CYS A 58 0.128 6.370 -1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.691 4.467 0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.389 3.573 -1.149 1.00 0.00 H new ATOM 0 HG CYS A 58 2.264 4.544 -1.467 1.00 0.00 H new ATOM 811 N ASP A 59 -0.249 5.325 -3.788 1.00 0.00 N ATOM 812 CA ASP A 59 -0.284 4.860 -5.194 1.00 0.00 C ATOM 813 C ASP A 59 -0.687 3.357 -5.147 1.00 0.00 C ATOM 814 O ASP A 59 -1.616 2.999 -5.864 1.00 0.00 O ATOM 815 CB ASP A 59 1.000 5.247 -6.049 1.00 0.00 C ATOM 816 CG ASP A 59 0.697 5.581 -7.516 1.00 0.00 C ATOM 817 OD1 ASP A 59 -0.447 5.355 -7.989 1.00 0.00 O ATOM 818 OD2 ASP A 59 1.622 6.139 -8.166 1.00 0.00 O ATOM 0 H ASP A 59 0.718 5.485 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.035 5.396 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.487 6.105 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.709 4.420 -6.015 1.00 0.00 H new ATOM 823 N PRO A 60 -0.127 2.441 -4.280 1.00 0.00 N ATOM 824 CA PRO A 60 0.909 2.620 -3.266 1.00 0.00 C ATOM 825 C PRO A 60 2.168 3.206 -3.713 1.00 0.00 C ATOM 826 O PRO A 60 2.351 4.364 -3.361 1.00 0.00 O ATOM 827 CB PRO A 60 1.030 1.335 -2.437 1.00 0.00 C ATOM 828 CG PRO A 60 0.048 0.377 -3.104 1.00 0.00 C ATOM 829 CD PRO A 60 -0.894 1.262 -3.927 1.00 0.00 C ATOM 0 HA PRO A 60 0.575 3.421 -2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.047 0.942 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.773 1.508 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.569 -0.339 -3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.504 -0.199 -2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.240 0.740 -4.819 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.780 1.531 -3.351 1.00 0.00 H new ATOM 837 N ILE A 61 3.057 2.513 -4.414 1.00 0.00 N ATOM 838 CA ILE A 61 4.400 3.032 -4.610 1.00 0.00 C ATOM 839 C ILE A 61 4.816 3.110 -6.062 1.00 0.00 C ATOM 840 O ILE A 61 4.227 2.401 -6.881 1.00 0.00 O ATOM 841 CB ILE A 61 5.271 2.227 -3.640 1.00 0.00 C ATOM 842 CG1 ILE A 61 4.954 2.823 -2.250 1.00 0.00 C ATOM 843 CG2 ILE A 61 6.796 2.227 -3.871 1.00 0.00 C ATOM 844 CD1 ILE A 61 6.137 3.208 -1.389 1.00 0.00 C ATOM 0 H ILE A 61 2.876 1.608 -4.848 1.00 0.00 H new ATOM 0 HA ILE A 61 4.503 4.089 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 61 5.022 1.174 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.335 3.709 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.353 2.100 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.280 1.616 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.015 1.817 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.173 3.248 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.781 3.613 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.751 2.328 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.732 3.962 -1.905 1.00 0.00 H new ATOM 856 N PRO A 62 5.845 3.960 -6.430 1.00 0.00 N ATOM 857 CA PRO A 62 6.234 4.366 -7.771 1.00 0.00 C ATOM 858 C PRO A 62 6.499 3.245 -8.742 1.00 0.00 C ATOM 859 O PRO A 62 7.384 2.448 -8.495 1.00 0.00 O ATOM 860 CB PRO A 62 7.607 5.083 -7.506 1.00 0.00 C ATOM 861 CG PRO A 62 7.601 5.545 -6.047 1.00 0.00 C ATOM 862 CD PRO A 62 6.272 5.040 -5.541 1.00 0.00 C ATOM 0 HA PRO A 62 5.433 4.947 -8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.438 4.403 -7.691 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.734 5.932 -8.178 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.434 5.122 -5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.679 6.629 -5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.364 4.680 -4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.535 5.843 -5.532 1.00 0.00 H new ATOM 870 N LEU A 63 5.753 3.195 -9.867 1.00 0.00 N ATOM 871 CA LEU A 63 5.627 2.396 -11.093 1.00 0.00 C ATOM 872 C LEU A 63 6.857 1.898 -11.858 1.00 0.00 C ATOM 873 O LEU A 63 6.853 1.499 -13.022 1.00 0.00 O ATOM 874 CB LEU A 63 4.673 3.192 -11.980 1.00 0.00 C ATOM 875 CG LEU A 63 3.256 3.413 -11.385 1.00 0.00 C ATOM 876 CD1 LEU A 63 3.028 4.373 -10.188 1.00 0.00 C ATOM 877 CD2 LEU A 63 2.505 3.963 -12.583 1.00 0.00 C ATOM 0 H LEU A 63 5.038 3.919 -9.934 1.00 0.00 H new ATOM 0 HA LEU A 63 5.278 1.416 -10.768 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.120 4.164 -12.187 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.573 2.677 -12.935 1.00 0.00 H new ATOM 0 HG LEU A 63 2.951 2.469 -10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.970 4.384 -9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.609 4.031 -9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.344 5.379 -10.463 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.472 4.168 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.980 4.885 -12.918 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.523 3.232 -13.391 1.00 0.00 H new ATOM 889 N ASP A 64 7.928 2.025 -11.121 1.00 0.00 N ATOM 890 CA ASP A 64 9.342 1.822 -11.304 1.00 0.00 C ATOM 891 C ASP A 64 9.989 1.153 -10.087 1.00 0.00 C ATOM 892 O ASP A 64 11.190 1.327 -9.888 1.00 0.00 O ATOM 893 CB ASP A 64 9.875 3.284 -11.240 1.00 0.00 C ATOM 894 CG ASP A 64 9.599 4.022 -12.552 1.00 0.00 C ATOM 895 OD1 ASP A 64 10.170 3.607 -13.595 1.00 0.00 O ATOM 896 OD2 ASP A 64 8.814 5.008 -12.526 1.00 0.00 O ATOM 0 H ASP A 64 7.786 2.347 -10.164 1.00 0.00 H new ATOM 0 HA ASP A 64 9.543 1.227 -12.195 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.400 3.813 -10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.947 3.277 -11.040 1.00 0.00 H new ATOM 901 N THR A 65 9.220 0.497 -9.170 1.00 0.00 N ATOM 902 CA THR A 65 9.715 0.180 -7.833 1.00 0.00 C ATOM 903 C THR A 65 9.845 -1.226 -7.577 1.00 0.00 C ATOM 904 O THR A 65 8.864 -1.915 -7.367 1.00 0.00 O ATOM 905 CB THR A 65 8.980 0.756 -6.606 1.00 0.00 C ATOM 906 OG1 THR A 65 9.065 2.162 -6.627 1.00 0.00 O ATOM 907 CG2 THR A 65 9.574 0.366 -5.235 1.00 0.00 C ATOM 0 H THR A 65 8.265 0.187 -9.348 1.00 0.00 H new ATOM 0 HA THR A 65 10.673 0.694 -7.911 1.00 0.00 H new ATOM 0 HB THR A 65 7.972 0.349 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.707 2.499 -7.475 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.984 0.822 -4.440 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.554 -0.718 -5.125 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.603 0.718 -5.171 1.00 0.00 H new ATOM 915 N GLU A 66 11.094 -1.660 -7.384 1.00 0.00 N ATOM 916 CA GLU A 66 11.402 -2.969 -6.796 1.00 0.00 C ATOM 917 C GLU A 66 10.942 -3.024 -5.319 1.00 0.00 C ATOM 918 O GLU A 66 11.679 -2.729 -4.401 1.00 0.00 O ATOM 919 CB GLU A 66 12.943 -3.239 -6.805 1.00 0.00 C ATOM 920 CG GLU A 66 13.649 -2.910 -8.133 1.00 0.00 C ATOM 921 CD GLU A 66 15.145 -3.239 -8.077 1.00 0.00 C ATOM 922 OE1 GLU A 66 15.627 -3.732 -7.023 1.00 0.00 O ATOM 923 OE2 GLU A 66 15.827 -2.992 -9.108 1.00 0.00 O ATOM 0 H GLU A 66 11.920 -1.115 -7.630 1.00 0.00 H new ATOM 0 HA GLU A 66 10.880 -3.716 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.405 -2.654 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.115 -4.289 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.183 -3.472 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.517 -1.853 -8.363 1.00 0.00 H new ATOM 930 N VAL A 67 9.708 -3.512 -5.115 1.00 0.00 N ATOM 931 CA VAL A 67 8.953 -3.703 -3.891 1.00 0.00 C ATOM 932 C VAL A 67 9.110 -5.125 -3.547 1.00 0.00 C ATOM 933 O VAL A 67 9.670 -5.875 -4.320 1.00 0.00 O ATOM 934 CB VAL A 67 7.464 -3.350 -3.899 1.00 0.00 C ATOM 935 CG1 VAL A 67 7.273 -2.303 -2.803 1.00 0.00 C ATOM 936 CG2 VAL A 67 6.953 -2.841 -5.249 1.00 0.00 C ATOM 0 H VAL A 67 9.156 -3.818 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 67 9.359 -2.994 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 67 6.876 -4.250 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.224 -2.009 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.573 -2.723 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.886 -1.429 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.890 -2.613 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.499 -1.940 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.106 -3.608 -6.008 1.00 0.00 H new ATOM 946 N THR A 68 8.637 -5.532 -2.369 1.00 0.00 N ATOM 947 CA THR A 68 8.805 -6.903 -1.896 1.00 0.00 C ATOM 948 C THR A 68 7.530 -7.684 -2.162 1.00 0.00 C ATOM 949 O THR A 68 6.425 -7.177 -2.001 1.00 0.00 O ATOM 950 CB THR A 68 9.338 -6.887 -0.469 1.00 0.00 C ATOM 951 OG1 THR A 68 9.333 -8.135 0.228 1.00 0.00 O ATOM 952 CG2 THR A 68 8.461 -5.901 0.275 1.00 0.00 C ATOM 0 H THR A 68 8.132 -4.926 -1.722 1.00 0.00 H new ATOM 0 HA THR A 68 9.568 -7.452 -2.448 1.00 0.00 H new ATOM 0 HB THR A 68 10.395 -6.623 -0.517 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.696 -8.008 1.129 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.786 -5.836 1.313 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.540 -4.919 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.425 -6.237 0.240 1.00 0.00 H new ATOM 960 N ALA A 69 7.663 -8.943 -2.608 1.00 0.00 N ATOM 961 CA ALA A 69 6.556 -9.831 -2.903 1.00 0.00 C ATOM 962 C ALA A 69 6.442 -10.916 -1.843 1.00 0.00 C ATOM 963 O ALA A 69 7.455 -11.402 -1.342 1.00 0.00 O ATOM 964 CB ALA A 69 6.768 -10.339 -4.324 1.00 0.00 C ATOM 0 H ALA A 69 8.574 -9.372 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 69 5.591 -9.325 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.956 -11.015 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.782 -9.495 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.718 -10.871 -4.382 1.00 0.00 H new ATOM 970 N LEU A 70 5.203 -11.289 -1.434 1.00 0.00 N ATOM 971 CA LEU A 70 4.959 -12.208 -0.315 1.00 0.00 C ATOM 972 C LEU A 70 5.403 -13.675 -0.424 1.00 0.00 C ATOM 973 O LEU A 70 4.883 -14.555 -1.108 1.00 0.00 O ATOM 974 CB LEU A 70 3.509 -12.149 0.173 1.00 0.00 C ATOM 975 CG LEU A 70 3.258 -12.234 1.708 1.00 0.00 C ATOM 976 CD1 LEU A 70 3.784 -13.475 2.453 1.00 0.00 C ATOM 977 CD2 LEU A 70 3.730 -10.958 2.421 1.00 0.00 C ATOM 0 H LEU A 70 4.348 -10.954 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 70 5.657 -11.796 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.071 -11.218 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.962 -12.963 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 70 2.174 -12.340 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.537 -13.396 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.322 -14.371 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.866 -13.538 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.541 -11.048 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.798 -10.820 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.186 -10.099 2.028 1.00 0.00 H new ATOM 989 N SER A 71 6.467 -13.897 0.340 1.00 0.00 N ATOM 990 CA SER A 71 7.182 -15.081 0.723 1.00 0.00 C ATOM 991 C SER A 71 7.457 -14.772 2.169 1.00 0.00 C ATOM 992 O SER A 71 7.212 -13.644 2.589 1.00 0.00 O ATOM 993 CB SER A 71 8.387 -15.410 -0.168 1.00 0.00 C ATOM 994 OG SER A 71 7.877 -15.929 -1.391 1.00 0.00 O ATOM 0 H SER A 71 6.915 -13.090 0.775 1.00 0.00 H new ATOM 0 HA SER A 71 6.642 -16.019 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.987 -14.518 -0.349 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.037 -16.138 0.317 1.00 0.00 H new ATOM 0 HG SER A 71 6.957 -15.617 -1.520 1.00 0.00 H new ATOM 1063 N PHE A 76 11.379 -13.102 2.156 1.00 0.00 N ATOM 1064 CA PHE A 76 10.754 -12.459 0.966 1.00 0.00 C ATOM 1065 C PHE A 76 11.640 -11.561 0.068 1.00 0.00 C ATOM 1066 O PHE A 76 12.681 -11.051 0.475 1.00 0.00 O ATOM 1067 CB PHE A 76 9.454 -11.651 1.282 1.00 0.00 C ATOM 1068 CG PHE A 76 9.427 -10.734 2.481 1.00 0.00 C ATOM 1069 CD1 PHE A 76 10.533 -10.118 3.049 1.00 0.00 C ATOM 1070 CD2 PHE A 76 8.176 -10.440 2.993 1.00 0.00 C ATOM 1071 CE1 PHE A 76 10.374 -9.216 4.081 1.00 0.00 C ATOM 1072 CE2 PHE A 76 8.015 -9.550 4.029 1.00 0.00 C ATOM 1073 CZ PHE A 76 9.117 -8.922 4.570 1.00 0.00 C ATOM 0 HA PHE A 76 10.537 -13.362 0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.221 -11.049 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.643 -12.369 1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.523 -10.346 2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.306 -10.920 2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.241 -8.736 4.510 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.029 -9.344 4.418 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.998 -8.206 5.370 1.00 0.00 H new ATOM 1083 N SER A 77 11.254 -11.411 -1.227 1.00 0.00 N ATOM 1084 CA SER A 77 12.183 -10.838 -2.214 1.00 0.00 C ATOM 1085 C SER A 77 11.477 -9.869 -3.130 1.00 0.00 C ATOM 1086 O SER A 77 10.251 -9.862 -3.255 1.00 0.00 O ATOM 1087 CB SER A 77 12.965 -11.968 -2.987 1.00 0.00 C ATOM 1088 OG SER A 77 14.037 -11.505 -3.824 1.00 0.00 O ATOM 0 H SER A 77 10.338 -11.671 -1.594 1.00 0.00 H new ATOM 0 HA SER A 77 12.937 -10.258 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.371 -12.670 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.257 -12.522 -3.603 1.00 0.00 H new ATOM 0 HG SER A 77 14.465 -12.271 -4.261 1.00 0.00 H new ATOM 1094 N ALA A 78 12.274 -8.975 -3.775 1.00 0.00 N ATOM 1095 CA ALA A 78 11.804 -7.879 -4.615 1.00 0.00 C ATOM 1096 C ALA A 78 11.480 -8.167 -6.078 1.00 0.00 C ATOM 1097 O ALA A 78 12.041 -9.054 -6.714 1.00 0.00 O ATOM 1098 CB ALA A 78 12.677 -6.595 -4.433 1.00 0.00 C ATOM 0 H ALA A 78 13.291 -9.013 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 78 10.805 -7.701 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.295 -5.801 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.636 -6.271 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.710 -6.816 -4.704 1.00 0.00 H new ATOM 1104 N GLY A 79 10.520 -7.367 -6.623 1.00 0.00 N ATOM 1105 CA GLY A 79 10.002 -7.385 -7.987 1.00 0.00 C ATOM 1106 C GLY A 79 9.404 -6.033 -8.174 1.00 0.00 C ATOM 1107 O GLY A 79 9.228 -5.306 -7.210 1.00 0.00 O ATOM 0 H GLY A 79 10.066 -6.645 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.795 -7.572 -8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.258 -8.170 -8.119 1.00 0.00 H new ATOM 1111 N VAL A 80 9.153 -5.607 -9.423 1.00 0.00 N ATOM 1112 CA VAL A 80 8.910 -4.218 -9.755 1.00 0.00 C ATOM 1113 C VAL A 80 7.491 -3.886 -9.954 1.00 0.00 C ATOM 1114 O VAL A 80 6.883 -4.383 -10.893 1.00 0.00 O ATOM 1115 CB VAL A 80 9.685 -3.916 -11.047 1.00 0.00 C ATOM 1116 CG1 VAL A 80 9.534 -2.468 -11.571 1.00 0.00 C ATOM 1117 CG2 VAL A 80 11.159 -4.125 -10.703 1.00 0.00 C ATOM 0 H VAL A 80 9.116 -6.232 -10.228 1.00 0.00 H new ATOM 0 HA VAL A 80 9.241 -3.612 -8.911 1.00 0.00 H new ATOM 0 HB VAL A 80 9.294 -4.565 -11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.116 -2.349 -12.485 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.484 -2.264 -11.780 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.896 -1.769 -10.817 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.770 -3.926 -11.583 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.445 -3.445 -9.901 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.315 -5.154 -10.379 1.00 0.00 H new ATOM 1127 N VAL A 81 6.918 -2.969 -9.114 1.00 0.00 N ATOM 1128 CA VAL A 81 5.572 -2.427 -9.328 1.00 0.00 C ATOM 1129 C VAL A 81 5.555 -1.528 -10.546 1.00 0.00 C ATOM 1130 O VAL A 81 6.494 -0.735 -10.674 1.00 0.00 O ATOM 1131 CB VAL A 81 5.068 -1.606 -8.134 1.00 0.00 C ATOM 1132 CG1 VAL A 81 5.678 -0.195 -7.926 1.00 0.00 C ATOM 1133 CG2 VAL A 81 3.572 -1.363 -8.270 1.00 0.00 C ATOM 0 H VAL A 81 7.384 -2.600 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 81 4.917 -3.288 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 81 5.370 -2.223 -7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.230 0.269 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.755 -0.282 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.478 0.421 -8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.219 -0.780 -7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.375 -0.816 -9.192 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.049 -2.319 -8.296 1.00 0.00 H new ATOM 1143 N LYS A 82 4.549 -1.691 -11.446 1.00 0.00 N ATOM 1144 CA LYS A 82 4.471 -0.931 -12.693 1.00 0.00 C ATOM 1145 C LYS A 82 3.087 -0.403 -12.980 1.00 0.00 C ATOM 1146 O LYS A 82 2.925 0.702 -13.492 1.00 0.00 O ATOM 1147 CB LYS A 82 4.985 -1.706 -13.942 1.00 0.00 C ATOM 1148 CG LYS A 82 6.495 -2.004 -13.922 1.00 0.00 C ATOM 1149 CD LYS A 82 6.990 -2.690 -15.202 1.00 0.00 C ATOM 1150 CE LYS A 82 8.500 -2.968 -15.213 1.00 0.00 C ATOM 1151 NZ LYS A 82 9.284 -1.711 -15.154 1.00 0.00 N ATOM 0 H LYS A 82 3.782 -2.351 -11.316 1.00 0.00 H new ATOM 0 HA LYS A 82 5.143 -0.091 -12.517 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.441 -2.647 -14.021 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.752 -1.128 -14.836 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.042 -1.071 -13.782 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.723 -2.638 -13.065 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.456 -3.632 -15.328 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.739 -2.064 -16.059 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.761 -3.601 -14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.763 -3.520 -16.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.292 -1.923 -15.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.956 -1.062 -15.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.155 -1.265 -14.224 1.00 0.00 H new ATOM 1165 N GLY A 83 2.035 -1.220 -12.735 1.00 0.00 N ATOM 1166 CA GLY A 83 0.672 -0.864 -13.137 1.00 0.00 C ATOM 1167 C GLY A 83 -0.279 -1.244 -12.054 1.00 0.00 C ATOM 1168 O GLY A 83 -0.153 -2.283 -11.414 1.00 0.00 O ATOM 0 H GLY A 83 2.113 -2.121 -12.264 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.607 0.206 -13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.409 -1.375 -14.063 1.00 0.00 H new ATOM 1172 N HIS A 84 -1.269 -0.403 -11.726 1.00 0.00 N ATOM 1173 CA HIS A 84 -2.191 -0.759 -10.665 1.00 0.00 C ATOM 1174 C HIS A 84 -3.540 -0.129 -10.847 1.00 0.00 C ATOM 1175 O HIS A 84 -3.712 0.797 -11.641 1.00 0.00 O ATOM 1176 CB HIS A 84 -1.607 -0.481 -9.274 1.00 0.00 C ATOM 1177 CG HIS A 84 -0.637 0.675 -9.232 1.00 0.00 C ATOM 1178 ND1 HIS A 84 0.731 0.579 -9.418 1.00 0.00 N ATOM 1179 CD2 HIS A 84 -0.864 1.955 -8.840 1.00 0.00 C ATOM 1180 CE1 HIS A 84 1.249 1.791 -9.101 1.00 0.00 C ATOM 1181 NE2 HIS A 84 0.322 2.648 -8.769 1.00 0.00 N ATOM 0 H HIS A 84 -1.441 0.499 -12.170 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.340 -1.837 -10.733 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.425 -0.280 -8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.101 -1.379 -8.918 1.00 0.00 H new ATOM 0 HD1 HIS A 84 1.248 -0.242 -9.732 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.836 2.369 -8.616 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.304 2.020 -9.121 1.00 0.00 H new ATOM 1302 N TYR A 92 -6.190 -4.638 -7.822 1.00 0.00 N ATOM 1303 CA TYR A 92 -5.164 -5.369 -8.553 1.00 0.00 C ATOM 1304 C TYR A 92 -3.940 -4.478 -8.552 1.00 0.00 C ATOM 1305 O TYR A 92 -3.973 -3.340 -9.018 1.00 0.00 O ATOM 1306 CB TYR A 92 -5.523 -5.891 -9.999 1.00 0.00 C ATOM 1307 CG TYR A 92 -6.907 -6.455 -10.215 1.00 0.00 C ATOM 1308 CD1 TYR A 92 -7.441 -7.471 -9.442 1.00 0.00 C ATOM 1309 CD2 TYR A 92 -7.669 -5.973 -11.267 1.00 0.00 C ATOM 1310 CE1 TYR A 92 -8.766 -7.840 -9.578 1.00 0.00 C ATOM 1311 CE2 TYR A 92 -9.005 -6.308 -11.387 1.00 0.00 C ATOM 1312 CZ TYR A 92 -9.561 -7.221 -10.515 1.00 0.00 C ATOM 1313 OH TYR A 92 -10.928 -7.559 -10.574 1.00 0.00 O ATOM 0 HA TYR A 92 -5.010 -6.317 -8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.383 -5.066 -10.698 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.800 -6.662 -10.267 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.815 -7.981 -8.725 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.213 -5.327 -12.003 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.178 -8.615 -8.948 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.610 -5.857 -12.160 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.363 -7.041 -11.283 1.00 0.00 H new ATOM 1323 N TYR A 93 -2.828 -5.008 -8.000 1.00 0.00 N ATOM 1324 CA TYR A 93 -1.531 -4.385 -7.923 1.00 0.00 C ATOM 1325 C TYR A 93 -0.620 -5.342 -8.688 1.00 0.00 C ATOM 1326 O TYR A 93 -0.497 -6.512 -8.312 1.00 0.00 O ATOM 1327 CB TYR A 93 -1.120 -4.218 -6.427 1.00 0.00 C ATOM 1328 CG TYR A 93 -0.362 -2.960 -6.193 1.00 0.00 C ATOM 1329 CD1 TYR A 93 -1.008 -1.776 -6.453 1.00 0.00 C ATOM 1330 CD2 TYR A 93 0.967 -2.930 -5.795 1.00 0.00 C ATOM 1331 CE1 TYR A 93 -0.270 -0.613 -6.496 1.00 0.00 C ATOM 1332 CE2 TYR A 93 1.670 -1.753 -5.793 1.00 0.00 C ATOM 1333 CZ TYR A 93 1.071 -0.589 -6.207 1.00 0.00 C ATOM 1334 OH TYR A 93 1.777 0.632 -6.324 1.00 0.00 O ATOM 0 H TYR A 93 -2.834 -5.936 -7.578 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.489 -3.382 -8.349 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.014 -4.224 -5.803 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.512 -5.069 -6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.075 -1.757 -6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.452 -3.843 -5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -0.763 0.309 -6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.699 -1.741 -5.465 1.00 0.00 H new ATOM 0 HH TYR A 93 1.140 1.374 -6.379 1.00 0.00 H new ATOM 1344 N SER A 94 -0.008 -4.856 -9.802 1.00 0.00 N ATOM 1345 CA SER A 94 0.806 -5.604 -10.762 1.00 0.00 C ATOM 1346 C SER A 94 2.307 -5.434 -10.518 1.00 0.00 C ATOM 1347 O SER A 94 2.805 -4.302 -10.455 1.00 0.00 O ATOM 1348 CB SER A 94 0.451 -5.042 -12.163 1.00 0.00 C ATOM 1349 OG SER A 94 0.686 -5.941 -13.245 1.00 0.00 O ATOM 0 H SER A 94 -0.083 -3.871 -10.056 1.00 0.00 H new ATOM 0 HA SER A 94 0.594 -6.669 -10.666 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.601 -4.756 -12.168 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.029 -4.133 -12.332 1.00 0.00 H new ATOM 0 HG SER A 94 -0.126 -6.461 -13.421 1.00 0.00 H new ATOM 1355 N ILE A 95 3.050 -6.579 -10.372 1.00 0.00 N ATOM 1356 CA ILE A 95 4.480 -6.607 -10.028 1.00 0.00 C ATOM 1357 C ILE A 95 5.185 -7.429 -11.084 1.00 0.00 C ATOM 1358 O ILE A 95 4.727 -8.526 -11.410 1.00 0.00 O ATOM 1359 CB ILE A 95 4.817 -7.115 -8.592 1.00 0.00 C ATOM 1360 CG1 ILE A 95 3.779 -8.044 -7.903 1.00 0.00 C ATOM 1361 CG2 ILE A 95 5.191 -5.901 -7.704 1.00 0.00 C ATOM 1362 CD1 ILE A 95 2.405 -7.431 -7.618 1.00 0.00 C ATOM 0 H ILE A 95 2.651 -7.510 -10.495 1.00 0.00 H new ATOM 0 HA ILE A 95 4.832 -5.575 -10.014 1.00 0.00 H new ATOM 0 HB ILE A 95 5.664 -7.789 -8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.638 -8.924 -8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.202 -8.390 -6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.428 -6.246 -6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.058 -5.394 -8.128 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.350 -5.209 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.768 -8.173 -7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.520 -6.570 -6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.947 -7.113 -8.555 1.00 0.00 H new ATOM 1374 N GLU A 96 6.325 -6.930 -11.655 1.00 0.00 N ATOM 1375 CA GLU A 96 7.100 -7.639 -12.687 1.00 0.00 C ATOM 1376 C GLU A 96 8.296 -8.320 -12.050 1.00 0.00 C ATOM 1377 O GLU A 96 9.116 -7.675 -11.398 1.00 0.00 O ATOM 1378 CB GLU A 96 7.502 -6.735 -13.879 1.00 0.00 C ATOM 1379 CG GLU A 96 8.055 -7.511 -15.090 1.00 0.00 C ATOM 1380 CD GLU A 96 8.251 -6.560 -16.270 1.00 0.00 C ATOM 1381 OE1 GLU A 96 7.228 -6.022 -16.772 1.00 0.00 O ATOM 1382 OE2 GLU A 96 9.424 -6.362 -16.685 1.00 0.00 O ATOM 0 H GLU A 96 6.720 -6.024 -11.402 1.00 0.00 H new ATOM 0 HA GLU A 96 6.454 -8.402 -13.122 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.633 -6.159 -14.195 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.253 -6.020 -13.543 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.003 -7.982 -14.830 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.367 -8.310 -15.366 1.00 0.00 H new ATOM 1389 N LYS A 97 8.368 -9.670 -12.140 1.00 0.00 N ATOM 1390 CA LYS A 97 9.320 -10.425 -11.328 1.00 0.00 C ATOM 1391 C LYS A 97 9.888 -11.624 -12.038 1.00 0.00 C ATOM 1392 O LYS A 97 9.145 -12.397 -12.638 1.00 0.00 O ATOM 1393 CB LYS A 97 8.494 -10.978 -10.154 1.00 0.00 C ATOM 1394 CG LYS A 97 9.138 -11.967 -9.160 1.00 0.00 C ATOM 1395 CD LYS A 97 10.379 -11.482 -8.404 1.00 0.00 C ATOM 1396 CE LYS A 97 10.765 -12.495 -7.316 1.00 0.00 C ATOM 1397 NZ LYS A 97 12.029 -12.130 -6.642 1.00 0.00 N ATOM 0 H LYS A 97 7.787 -10.238 -12.756 1.00 0.00 H new ATOM 0 HA LYS A 97 10.149 -9.771 -11.058 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.137 -10.125 -9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.616 -11.467 -10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.383 -12.250 -8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.406 -12.871 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.208 -11.349 -9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.182 -10.509 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.965 -12.556 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.864 -13.485 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.085 -12.614 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.834 -12.418 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.059 -11.101 -6.493 1.00 0.00 H new ATOM 1411 N GLU A 98 11.232 -11.862 -11.982 1.00 0.00 N ATOM 1412 CA GLU A 98 11.949 -13.025 -12.537 1.00 0.00 C ATOM 1413 C GLU A 98 11.933 -13.116 -14.070 1.00 0.00 C ATOM 1414 O GLU A 98 12.466 -14.035 -14.685 1.00 0.00 O ATOM 1415 CB GLU A 98 11.469 -14.363 -11.873 1.00 0.00 C ATOM 1416 CG GLU A 98 11.982 -14.575 -10.439 1.00 0.00 C ATOM 1417 CD GLU A 98 13.510 -14.575 -10.372 1.00 0.00 C ATOM 1418 OE1 GLU A 98 14.134 -15.450 -11.029 1.00 0.00 O ATOM 1419 OE2 GLU A 98 14.070 -13.700 -9.659 1.00 0.00 O ATOM 0 H GLU A 98 11.866 -11.208 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 98 12.995 -12.864 -12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.379 -14.380 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.795 -15.200 -12.491 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.591 -13.788 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.602 -15.521 -10.054 1.00 0.00 H new ATOM 1426 N GLY A 99 11.328 -12.074 -14.685 1.00 0.00 N ATOM 1427 CA GLY A 99 11.178 -11.864 -16.119 1.00 0.00 C ATOM 1428 C GLY A 99 9.731 -11.948 -16.506 1.00 0.00 C ATOM 1429 O GLY A 99 9.355 -11.603 -17.620 1.00 0.00 O ATOM 0 H GLY A 99 10.909 -11.316 -14.146 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.580 -10.889 -16.395 1.00 0.00 H new ATOM 0 HA3 GLY A 99 11.752 -12.612 -16.666 1.00 0.00 H new ATOM 1433 N GLN A 100 8.867 -12.417 -15.573 1.00 0.00 N ATOM 1434 CA GLN A 100 7.441 -12.595 -15.770 1.00 0.00 C ATOM 1435 C GLN A 100 6.616 -11.737 -14.871 1.00 0.00 C ATOM 1436 O GLN A 100 7.105 -11.071 -13.971 1.00 0.00 O ATOM 1437 CB GLN A 100 7.022 -14.100 -15.768 1.00 0.00 C ATOM 1438 CG GLN A 100 7.457 -14.985 -14.563 1.00 0.00 C ATOM 1439 CD GLN A 100 6.550 -14.886 -13.329 1.00 0.00 C ATOM 1440 OE1 GLN A 100 5.501 -15.529 -13.218 1.00 0.00 O ATOM 1441 NE2 GLN A 100 6.984 -14.057 -12.347 1.00 0.00 N ATOM 0 H GLN A 100 9.172 -12.686 -14.637 1.00 0.00 H new ATOM 0 HA GLN A 100 7.221 -12.234 -16.775 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.935 -14.143 -15.837 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.417 -14.556 -16.676 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.492 -16.025 -14.888 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.471 -14.707 -14.274 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.854 -13.538 -12.465 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.440 -13.953 -11.490 1.00 0.00 H new ATOM 1450 N ARG A 101 5.294 -11.683 -15.115 1.00 0.00 N ATOM 1451 CA ARG A 101 4.384 -10.853 -14.363 1.00 0.00 C ATOM 1452 C ARG A 101 3.705 -11.640 -13.268 1.00 0.00 C ATOM 1453 O ARG A 101 3.341 -12.799 -13.449 1.00 0.00 O ATOM 1454 CB ARG A 101 3.355 -10.203 -15.338 1.00 0.00 C ATOM 1455 CG ARG A 101 2.419 -9.140 -14.731 1.00 0.00 C ATOM 1456 CD ARG A 101 3.164 -7.900 -14.217 1.00 0.00 C ATOM 1457 NE ARG A 101 3.353 -6.915 -15.337 1.00 0.00 N ATOM 1458 CZ ARG A 101 3.759 -5.626 -15.117 1.00 0.00 C ATOM 1459 NH1 ARG A 101 4.018 -5.187 -13.851 1.00 0.00 N ATOM 1460 NH2 ARG A 101 3.903 -4.773 -16.172 1.00 0.00 N ATOM 0 H ARG A 101 4.840 -12.226 -15.850 1.00 0.00 H new ATOM 0 HA ARG A 101 4.944 -10.058 -13.871 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.905 -9.746 -16.161 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.741 -10.995 -15.766 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.692 -8.833 -15.483 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.858 -9.586 -13.909 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.602 -7.438 -13.406 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.132 -8.190 -13.809 1.00 0.00 H new ATOM 0 HE ARG A 101 3.172 -7.218 -16.294 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.910 -5.821 -13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.320 -4.225 -13.697 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.708 -5.096 -17.120 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.205 -3.812 -16.013 1.00 0.00 H new ATOM 1474 N LYS A 102 3.516 -10.989 -12.094 1.00 0.00 N ATOM 1475 CA LYS A 102 2.762 -11.546 -10.984 1.00 0.00 C ATOM 1476 C LYS A 102 1.664 -10.529 -10.769 1.00 0.00 C ATOM 1477 O LYS A 102 1.922 -9.350 -10.533 1.00 0.00 O ATOM 1478 CB LYS A 102 3.645 -11.822 -9.729 1.00 0.00 C ATOM 1479 CG LYS A 102 4.335 -13.207 -9.842 1.00 0.00 C ATOM 1480 CD LYS A 102 5.727 -13.413 -9.199 1.00 0.00 C ATOM 1481 CE LYS A 102 5.874 -13.034 -7.713 1.00 0.00 C ATOM 1482 NZ LYS A 102 5.917 -11.566 -7.496 1.00 0.00 N ATOM 0 H LYS A 102 3.891 -10.059 -11.907 1.00 0.00 H new ATOM 0 HA LYS A 102 2.357 -12.537 -11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.399 -11.041 -9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.030 -11.788 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.661 -13.945 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.426 -13.443 -10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.999 -14.463 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.453 -12.834 -9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.041 -13.456 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.785 -13.482 -7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.635 -11.342 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.160 -11.090 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.986 -11.236 -7.170 1.00 0.00 H new ATOM 1496 N TRP A 103 0.379 -10.943 -10.891 1.00 0.00 N ATOM 1497 CA TRP A 103 -0.766 -10.062 -10.705 1.00 0.00 C ATOM 1498 C TRP A 103 -1.445 -10.554 -9.422 1.00 0.00 C ATOM 1499 O TRP A 103 -1.843 -11.714 -9.291 1.00 0.00 O ATOM 1500 CB TRP A 103 -1.775 -10.114 -11.908 1.00 0.00 C ATOM 1501 CG TRP A 103 -1.675 -9.083 -13.043 1.00 0.00 C ATOM 1502 CD1 TRP A 103 -1.471 -9.294 -14.382 1.00 0.00 C ATOM 1503 CD2 TRP A 103 -2.173 -7.733 -12.928 1.00 0.00 C ATOM 1504 NE1 TRP A 103 -1.867 -8.181 -15.109 1.00 0.00 N ATOM 1505 CE2 TRP A 103 -2.338 -7.233 -14.223 1.00 0.00 C ATOM 1506 CE3 TRP A 103 -2.518 -6.986 -11.836 1.00 0.00 C ATOM 1507 CZ2 TRP A 103 -2.910 -6.007 -14.442 1.00 0.00 C ATOM 1508 CZ3 TRP A 103 -2.997 -5.713 -12.068 1.00 0.00 C ATOM 1509 CH2 TRP A 103 -3.227 -5.240 -13.343 1.00 0.00 C ATOM 0 H TRP A 103 0.123 -11.903 -11.122 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.442 -9.023 -10.644 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.689 -11.102 -12.360 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -2.780 -10.040 -11.491 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.061 -10.197 -14.809 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.819 -8.080 -16.123 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.420 -7.376 -10.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.106 -5.654 -15.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.198 -5.067 -11.226 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.659 -4.260 -13.481 1.00 0.00 H new ATOM 1520 N TYR A 104 -1.550 -9.641 -8.438 1.00 0.00 N ATOM 1521 CA TYR A 104 -2.075 -9.828 -7.108 1.00 0.00 C ATOM 1522 C TYR A 104 -3.094 -8.740 -6.861 1.00 0.00 C ATOM 1523 O TYR A 104 -3.249 -7.810 -7.645 1.00 0.00 O ATOM 1524 CB TYR A 104 -0.933 -9.799 -6.049 1.00 0.00 C ATOM 1525 CG TYR A 104 0.067 -10.907 -6.296 1.00 0.00 C ATOM 1526 CD1 TYR A 104 -0.378 -12.217 -6.398 1.00 0.00 C ATOM 1527 CD2 TYR A 104 1.438 -10.678 -6.301 1.00 0.00 C ATOM 1528 CE1 TYR A 104 0.504 -13.270 -6.523 1.00 0.00 C ATOM 1529 CE2 TYR A 104 2.319 -11.736 -6.367 1.00 0.00 C ATOM 1530 CZ TYR A 104 1.855 -13.027 -6.480 1.00 0.00 C ATOM 1531 OH TYR A 104 2.774 -14.090 -6.524 1.00 0.00 O ATOM 0 H TYR A 104 -1.239 -8.681 -8.584 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.551 -10.805 -7.019 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.427 -8.834 -6.082 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -1.356 -9.903 -5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -1.439 -12.417 -6.379 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.815 -9.667 -6.253 1.00 0.00 H new ATOM 0 HE1 TYR A 104 0.135 -14.277 -6.654 1.00 0.00 H new ATOM 0 HE2 TYR A 104 3.382 -11.551 -6.330 1.00 0.00 H new ATOM 0 HH TYR A 104 2.392 -14.832 -7.038 1.00 0.00 H new ATOM 1541 N LYS A 105 -3.746 -8.819 -5.676 1.00 0.00 N ATOM 1542 CA LYS A 105 -4.453 -7.799 -4.974 1.00 0.00 C ATOM 1543 C LYS A 105 -3.391 -7.480 -3.944 1.00 0.00 C ATOM 1544 O LYS A 105 -2.556 -8.341 -3.640 1.00 0.00 O ATOM 1545 CB LYS A 105 -5.730 -8.332 -4.254 1.00 0.00 C ATOM 1546 CG LYS A 105 -5.678 -9.798 -3.797 1.00 0.00 C ATOM 1547 CD LYS A 105 -6.923 -10.201 -2.992 1.00 0.00 C ATOM 1548 CE LYS A 105 -6.994 -11.704 -2.678 1.00 0.00 C ATOM 1549 NZ LYS A 105 -7.139 -12.511 -3.914 1.00 0.00 N ATOM 0 H LYS A 105 -3.773 -9.700 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.818 -6.984 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.920 -7.706 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.580 -8.210 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.586 -10.445 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.788 -9.955 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.937 -9.642 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.814 -9.912 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.092 -12.009 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.836 -11.899 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.370 -13.493 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.902 -12.115 -4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.247 -12.491 -4.448 1.00 0.00 H new ATOM 1563 N ARG A 106 -3.411 -6.256 -3.371 1.00 0.00 N ATOM 1564 CA ARG A 106 -2.460 -5.687 -2.382 1.00 0.00 C ATOM 1565 C ARG A 106 -1.777 -6.607 -1.377 1.00 0.00 C ATOM 1566 O ARG A 106 -0.640 -6.403 -0.994 1.00 0.00 O ATOM 1567 CB ARG A 106 -3.180 -4.669 -1.437 1.00 0.00 C ATOM 1568 CG ARG A 106 -3.304 -3.240 -1.974 1.00 0.00 C ATOM 1569 CD ARG A 106 -2.173 -2.309 -1.513 1.00 0.00 C ATOM 1570 NE ARG A 106 -0.885 -2.698 -2.194 1.00 0.00 N ATOM 1571 CZ ARG A 106 0.294 -2.937 -1.539 1.00 0.00 C ATOM 1572 NH1 ARG A 106 0.330 -3.111 -0.188 1.00 0.00 N ATOM 1573 NH2 ARG A 106 1.453 -3.000 -2.258 1.00 0.00 N ATOM 0 H ARG A 106 -4.146 -5.588 -3.603 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.709 -5.300 -3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.180 -5.045 -1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.641 -4.636 -0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.317 -3.270 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.259 -2.823 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.422 -1.274 -1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.057 -2.371 -0.431 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.892 -2.789 -3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.532 -3.064 0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.219 -3.288 0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.433 -2.870 -3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.338 -3.177 -1.784 1.00 0.00 H new ATOM 1587 N MET A 107 -2.458 -7.668 -0.897 1.00 0.00 N ATOM 1588 CA MET A 107 -2.020 -8.564 0.154 1.00 0.00 C ATOM 1589 C MET A 107 -0.782 -9.426 -0.142 1.00 0.00 C ATOM 1590 O MET A 107 -0.100 -9.859 0.784 1.00 0.00 O ATOM 1591 CB MET A 107 -3.288 -9.250 0.730 1.00 0.00 C ATOM 1592 CG MET A 107 -3.738 -10.502 -0.045 1.00 0.00 C ATOM 1593 SD MET A 107 -5.245 -11.270 0.631 1.00 0.00 S ATOM 1594 CE MET A 107 -4.557 -11.786 2.230 1.00 0.00 C ATOM 0 H MET A 107 -3.376 -7.923 -1.262 1.00 0.00 H new ATOM 0 HA MET A 107 -1.557 -7.997 0.961 1.00 0.00 H new ATOM 0 HB2 MET A 107 -3.098 -9.528 1.767 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.105 -8.529 0.738 1.00 0.00 H new ATOM 0 HG2 MET A 107 -3.913 -10.232 -1.086 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.931 -11.235 -0.037 1.00 0.00 H new ATOM 0 HE1 MET A 107 -5.160 -12.596 2.641 1.00 0.00 H new ATOM 0 HE2 MET A 107 -3.532 -12.131 2.091 1.00 0.00 H new ATOM 0 HE3 MET A 107 -4.566 -10.942 2.919 1.00 0.00 H new ATOM 1604 N ALA A 108 -0.402 -9.628 -1.452 1.00 0.00 N ATOM 1605 CA ALA A 108 0.830 -10.346 -1.811 1.00 0.00 C ATOM 1606 C ALA A 108 1.991 -9.484 -2.253 1.00 0.00 C ATOM 1607 O ALA A 108 3.010 -9.992 -2.710 1.00 0.00 O ATOM 1608 CB ALA A 108 0.599 -11.448 -2.885 1.00 0.00 C ATOM 0 H ALA A 108 -0.940 -9.299 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 108 1.112 -10.797 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.544 -11.942 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.113 -12.181 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.204 -10.993 -3.794 1.00 0.00 H new ATOM 1614 N VAL A 109 1.852 -8.164 -2.145 1.00 0.00 N ATOM 1615 CA VAL A 109 2.806 -7.125 -2.422 1.00 0.00 C ATOM 1616 C VAL A 109 2.893 -6.286 -1.188 1.00 0.00 C ATOM 1617 O VAL A 109 1.905 -5.722 -0.747 1.00 0.00 O ATOM 1618 CB VAL A 109 2.527 -6.283 -3.669 1.00 0.00 C ATOM 1619 CG1 VAL A 109 3.723 -6.459 -4.617 1.00 0.00 C ATOM 1620 CG2 VAL A 109 1.184 -6.674 -4.323 1.00 0.00 C ATOM 0 H VAL A 109 0.968 -7.768 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 109 3.758 -7.595 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 109 2.422 -5.229 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.560 -5.872 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 109 4.633 -6.119 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.826 -7.511 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.016 -6.057 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.213 -7.724 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.373 -6.517 -3.611 1.00 0.00 H new ATOM 1630 N ILE A 110 4.064 -6.127 -0.589 1.00 0.00 N ATOM 1631 CA ILE A 110 4.267 -5.196 0.515 1.00 0.00 C ATOM 1632 C ILE A 110 5.453 -4.263 0.258 1.00 0.00 C ATOM 1633 O ILE A 110 6.080 -4.313 -0.800 1.00 0.00 O ATOM 1634 CB ILE A 110 4.344 -5.863 1.872 1.00 0.00 C ATOM 1635 CG1 ILE A 110 5.540 -6.820 2.116 1.00 0.00 C ATOM 1636 CG2 ILE A 110 2.991 -6.518 2.253 1.00 0.00 C ATOM 1637 CD1 ILE A 110 5.651 -8.084 1.254 1.00 0.00 C ATOM 0 H ILE A 110 4.904 -6.641 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 110 3.368 -4.581 0.552 1.00 0.00 H new ATOM 0 HB ILE A 110 4.554 -5.037 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.457 -6.246 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.508 -7.132 3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.078 -6.989 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.213 -5.755 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.730 -7.272 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.538 -8.647 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.765 -8.702 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.729 -7.803 0.204 1.00 0.00 H new ATOM 1649 N LEU A 111 5.807 -3.369 1.230 1.00 0.00 N ATOM 1650 CA LEU A 111 6.905 -2.402 1.065 1.00 0.00 C ATOM 1651 C LEU A 111 7.640 -2.056 2.353 1.00 0.00 C ATOM 1652 O LEU A 111 7.043 -2.080 3.419 1.00 0.00 O ATOM 1653 CB LEU A 111 6.430 -1.084 0.408 1.00 0.00 C ATOM 1654 CG LEU A 111 4.967 -0.652 0.657 1.00 0.00 C ATOM 1655 CD1 LEU A 111 4.481 -0.775 2.077 1.00 0.00 C ATOM 1656 CD2 LEU A 111 4.916 0.808 0.265 1.00 0.00 C ATOM 0 H LEU A 111 5.338 -3.309 2.134 1.00 0.00 H new ATOM 0 HA LEU A 111 7.605 -2.921 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.082 -0.281 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.577 -1.172 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 111 4.319 -1.315 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.444 -0.445 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.550 -1.815 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.097 -0.154 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.906 1.190 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.613 1.375 0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.193 0.913 -0.784 1.00 0.00 H new ATOM 1668 N SER A 112 8.957 -1.713 2.248 1.00 0.00 N ATOM 1669 CA SER A 112 9.942 -1.354 3.273 1.00 0.00 C ATOM 1670 C SER A 112 9.954 0.151 3.584 1.00 0.00 C ATOM 1671 O SER A 112 9.442 0.932 2.785 1.00 0.00 O ATOM 1672 CB SER A 112 11.336 -1.812 2.732 1.00 0.00 C ATOM 1673 OG SER A 112 11.494 -1.470 1.344 1.00 0.00 O ATOM 0 H SER A 112 9.389 -1.683 1.325 1.00 0.00 H new ATOM 0 HA SER A 112 9.689 -1.846 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 112 12.128 -1.344 3.317 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.442 -2.890 2.858 1.00 0.00 H new ATOM 0 HG SER A 112 12.375 -1.766 1.032 1.00 0.00 H new ATOM 1679 N LEU A 113 10.555 0.684 4.726 1.00 0.00 N ATOM 1680 CA LEU A 113 10.564 2.162 4.948 1.00 0.00 C ATOM 1681 C LEU A 113 11.386 2.963 3.964 1.00 0.00 C ATOM 1682 O LEU A 113 10.903 3.999 3.575 1.00 0.00 O ATOM 1683 CB LEU A 113 10.617 2.973 6.313 1.00 0.00 C ATOM 1684 CG LEU A 113 10.437 2.344 7.714 1.00 0.00 C ATOM 1685 CD1 LEU A 113 9.161 1.536 7.927 1.00 0.00 C ATOM 1686 CD2 LEU A 113 11.653 1.540 8.165 1.00 0.00 C ATOM 0 H LEU A 113 11.009 0.133 5.455 1.00 0.00 H new ATOM 0 HA LEU A 113 9.484 2.065 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.585 3.473 6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.858 3.751 6.232 1.00 0.00 H new ATOM 0 HG LEU A 113 10.333 3.223 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.144 1.144 8.944 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.294 2.178 7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.132 0.708 7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.467 1.123 9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.836 0.730 7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.526 2.192 8.204 1.00 0.00 H new ATOM 1698 N GLU A 114 12.593 2.599 3.459 1.00 0.00 N ATOM 1699 CA GLU A 114 13.247 3.472 2.450 1.00 0.00 C ATOM 1700 C GLU A 114 12.743 3.377 1.015 1.00 0.00 C ATOM 1701 O GLU A 114 12.992 4.248 0.193 1.00 0.00 O ATOM 1702 CB GLU A 114 14.759 3.737 2.624 1.00 0.00 C ATOM 1703 CG GLU A 114 14.927 5.172 3.186 1.00 0.00 C ATOM 1704 CD GLU A 114 16.403 5.520 3.325 1.00 0.00 C ATOM 1705 OE1 GLU A 114 17.108 4.819 4.100 1.00 0.00 O ATOM 1706 OE2 GLU A 114 16.848 6.495 2.662 1.00 0.00 O ATOM 0 H GLU A 114 13.109 1.757 3.715 1.00 0.00 H new ATOM 0 HA GLU A 114 12.830 4.433 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.199 3.007 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.277 3.637 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.439 5.888 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.436 5.249 4.156 1.00 0.00 H new ATOM 1713 N GLN A 115 11.908 2.355 0.698 1.00 0.00 N ATOM 1714 CA GLN A 115 11.139 2.303 -0.545 1.00 0.00 C ATOM 1715 C GLN A 115 9.746 2.928 -0.384 1.00 0.00 C ATOM 1716 O GLN A 115 9.117 3.259 -1.382 1.00 0.00 O ATOM 1717 CB GLN A 115 11.111 0.893 -1.169 1.00 0.00 C ATOM 1718 CG GLN A 115 12.569 0.383 -1.239 1.00 0.00 C ATOM 1719 CD GLN A 115 12.795 -0.800 -2.167 1.00 0.00 C ATOM 1720 OE1 GLN A 115 13.001 -1.930 -1.714 1.00 0.00 O ATOM 1721 NE2 GLN A 115 12.803 -0.532 -3.493 1.00 0.00 N ATOM 0 H GLN A 115 11.758 1.550 1.306 1.00 0.00 H new ATOM 0 HA GLN A 115 11.665 2.924 -1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 115 10.499 0.221 -0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 115 10.668 0.924 -2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 115 13.210 1.204 -1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 115 12.888 0.103 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 115 12.628 0.417 -3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 115 12.984 -1.279 -4.163 1.00 0.00 H new ATOM 1730 N GLY A 116 9.307 3.161 0.884 1.00 0.00 N ATOM 1731 CA GLY A 116 8.128 3.870 1.364 1.00 0.00 C ATOM 1732 C GLY A 116 8.274 5.326 1.748 1.00 0.00 C ATOM 1733 O GLY A 116 7.474 6.177 1.376 1.00 0.00 O ATOM 0 H GLY A 116 9.848 2.807 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.363 3.805 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.748 3.333 2.233 1.00 0.00 H new ATOM 1737 N ASN A 117 9.326 5.699 2.518 1.00 0.00 N ATOM 1738 CA ASN A 117 9.652 7.036 3.041 1.00 0.00 C ATOM 1739 C ASN A 117 10.221 7.952 1.987 1.00 0.00 C ATOM 1740 O ASN A 117 10.237 9.171 2.129 1.00 0.00 O ATOM 1741 CB ASN A 117 10.598 7.013 4.278 1.00 0.00 C ATOM 1742 CG ASN A 117 9.817 6.462 5.467 1.00 0.00 C ATOM 1743 OD1 ASN A 117 8.609 6.227 5.374 1.00 0.00 O ATOM 1744 ND2 ASN A 117 10.508 6.281 6.616 1.00 0.00 N ATOM 0 H ASN A 117 10.021 5.012 2.809 1.00 0.00 H new ATOM 0 HA ASN A 117 8.691 7.433 3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.471 6.393 4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 117 10.963 8.017 4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 117 10.031 5.938 7.449 1.00 0.00 H new ATOM 0 HD22 ASN A 117 11.506 6.488 6.649 1.00 0.00 H new ATOM 1751 N ARG A 118 10.617 7.345 0.841 1.00 0.00 N ATOM 1752 CA ARG A 118 11.059 7.996 -0.369 1.00 0.00 C ATOM 1753 C ARG A 118 9.858 8.603 -1.135 1.00 0.00 C ATOM 1754 O ARG A 118 10.001 9.479 -1.979 1.00 0.00 O ATOM 1755 CB ARG A 118 11.729 6.972 -1.300 1.00 0.00 C ATOM 1756 CG ARG A 118 10.770 5.891 -1.837 1.00 0.00 C ATOM 1757 CD ARG A 118 10.523 5.971 -3.360 1.00 0.00 C ATOM 1758 NE ARG A 118 10.667 4.608 -3.993 1.00 0.00 N ATOM 1759 CZ ARG A 118 11.875 4.055 -4.330 1.00 0.00 C ATOM 1760 NH1 ARG A 118 13.045 4.720 -4.099 1.00 0.00 N ATOM 1761 NH2 ARG A 118 11.915 2.816 -4.899 1.00 0.00 N ATOM 0 H ARG A 118 10.629 6.329 0.755 1.00 0.00 H new ATOM 0 HA ARG A 118 11.759 8.782 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 118 12.174 7.500 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.543 6.486 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.175 4.908 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.815 5.978 -1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.524 6.364 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.231 6.665 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 118 9.821 4.070 -4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 118 13.030 5.645 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 118 13.934 4.292 -4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 118 11.049 2.306 -5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 118 12.811 2.400 -5.152 1.00 0.00 H new ATOM 1775 N LEU A 119 8.629 8.066 -0.822 1.00 0.00 N ATOM 1776 CA LEU A 119 7.289 8.378 -1.317 1.00 0.00 C ATOM 1777 C LEU A 119 6.657 9.383 -0.435 1.00 0.00 C ATOM 1778 O LEU A 119 5.941 10.254 -0.922 1.00 0.00 O ATOM 1779 CB LEU A 119 6.291 7.164 -1.339 1.00 0.00 C ATOM 1780 CG LEU A 119 4.990 7.443 -2.106 1.00 0.00 C ATOM 1781 CD1 LEU A 119 4.544 6.219 -2.851 1.00 0.00 C ATOM 1782 CD2 LEU A 119 3.728 7.693 -1.287 1.00 0.00 C ATOM 0 H LEU A 119 8.578 7.317 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 119 7.451 8.718 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 119 6.789 6.305 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.045 6.890 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 119 5.283 8.324 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.621 6.436 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.316 5.924 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.371 5.407 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.889 7.875 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.516 6.820 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.876 8.563 -0.647 1.00 0.00 H new ATOM 1794 N ARG A 120 6.866 9.269 0.901 1.00 0.00 N ATOM 1795 CA ARG A 120 6.166 9.995 1.949 1.00 0.00 C ATOM 1796 C ARG A 120 5.965 11.512 1.866 1.00 0.00 C ATOM 1797 O ARG A 120 4.944 12.054 2.275 1.00 0.00 O ATOM 1798 CB ARG A 120 6.751 9.638 3.384 1.00 0.00 C ATOM 1799 CG ARG A 120 7.882 10.516 3.975 1.00 0.00 C ATOM 1800 CD ARG A 120 8.328 10.048 5.373 1.00 0.00 C ATOM 1801 NE ARG A 120 7.174 10.221 6.332 1.00 0.00 N ATOM 1802 CZ ARG A 120 6.946 9.419 7.420 1.00 0.00 C ATOM 1803 NH1 ARG A 120 7.780 8.383 7.722 1.00 0.00 N ATOM 1804 NH2 ARG A 120 5.863 9.664 8.213 1.00 0.00 N ATOM 0 H ARG A 120 7.567 8.631 1.278 1.00 0.00 H new ATOM 0 HA ARG A 120 5.158 9.621 1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.921 9.652 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.118 8.612 3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.738 10.501 3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.541 11.550 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.639 9.004 5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.188 10.627 5.709 1.00 0.00 H new ATOM 0 HE ARG A 120 6.521 10.985 6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 120 8.591 8.193 7.134 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.593 7.798 8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 120 5.234 10.437 7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.682 9.075 9.026 1.00 0.00 H new ATOM 1818 N GLU A 121 6.977 12.196 1.288 1.00 0.00 N ATOM 1819 CA GLU A 121 7.072 13.617 1.026 1.00 0.00 C ATOM 1820 C GLU A 121 6.617 14.007 -0.382 1.00 0.00 C ATOM 1821 O GLU A 121 6.351 15.181 -0.630 1.00 0.00 O ATOM 1822 CB GLU A 121 8.535 14.085 1.278 1.00 0.00 C ATOM 1823 CG GLU A 121 9.608 13.290 0.501 1.00 0.00 C ATOM 1824 CD GLU A 121 10.999 13.806 0.870 1.00 0.00 C ATOM 1825 OE1 GLU A 121 11.285 14.999 0.582 1.00 0.00 O ATOM 1826 OE2 GLU A 121 11.794 13.012 1.441 1.00 0.00 O ATOM 0 H GLU A 121 7.814 11.708 0.971 1.00 0.00 H new ATOM 0 HA GLU A 121 6.389 14.121 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.617 15.138 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.748 14.010 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.529 12.229 0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 121 9.444 13.392 -0.572 1.00 0.00 H new ATOM 1833 N GLN A 122 6.523 13.037 -1.337 1.00 0.00 N ATOM 1834 CA GLN A 122 6.117 13.271 -2.718 1.00 0.00 C ATOM 1835 C GLN A 122 4.699 12.793 -2.995 1.00 0.00 C ATOM 1836 O GLN A 122 3.952 13.499 -3.672 1.00 0.00 O ATOM 1837 CB GLN A 122 7.139 12.748 -3.796 1.00 0.00 C ATOM 1838 CG GLN A 122 7.624 11.274 -3.705 1.00 0.00 C ATOM 1839 CD GLN A 122 8.531 10.878 -4.896 1.00 0.00 C ATOM 1840 OE1 GLN A 122 8.359 11.303 -6.043 1.00 0.00 O ATOM 1841 NE2 GLN A 122 9.518 9.984 -4.634 1.00 0.00 N ATOM 0 H GLN A 122 6.736 12.058 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 122 6.123 14.356 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.686 12.888 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.019 13.390 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.170 11.131 -2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.759 10.611 -3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.654 9.638 -3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 122 10.124 9.658 -5.387 1.00 0.00 H new ATOM 1850 N TYR A 123 4.275 11.578 -2.531 1.00 0.00 N ATOM 1851 CA TYR A 123 2.966 11.070 -2.964 1.00 0.00 C ATOM 1852 C TYR A 123 1.974 10.606 -1.898 1.00 0.00 C ATOM 1853 O TYR A 123 0.924 10.112 -2.307 1.00 0.00 O ATOM 1854 CB TYR A 123 3.134 9.881 -3.986 1.00 0.00 C ATOM 1855 CG TYR A 123 3.990 10.178 -5.188 1.00 0.00 C ATOM 1856 CD1 TYR A 123 3.780 11.297 -5.974 1.00 0.00 C ATOM 1857 CD2 TYR A 123 5.015 9.309 -5.529 1.00 0.00 C ATOM 1858 CE1 TYR A 123 4.640 11.597 -7.012 1.00 0.00 C ATOM 1859 CE2 TYR A 123 5.857 9.589 -6.581 1.00 0.00 C ATOM 1860 CZ TYR A 123 5.691 10.755 -7.293 1.00 0.00 C ATOM 1861 OH TYR A 123 6.719 11.164 -8.159 1.00 0.00 O ATOM 0 H TYR A 123 4.796 10.974 -1.895 1.00 0.00 H new ATOM 0 HA TYR A 123 2.527 11.968 -3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 123 3.562 9.029 -3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 123 2.145 9.579 -4.331 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.937 11.941 -5.774 1.00 0.00 H new ATOM 0 HD2 TYR A 123 5.155 8.401 -4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.488 12.489 -7.601 1.00 0.00 H new ATOM 0 HE2 TYR A 123 6.643 8.898 -6.846 1.00 0.00 H new ATOM 0 HH TYR A 123 7.544 11.299 -7.647 1.00 0.00 H new ATOM 1871 N GLY A 124 2.188 10.631 -0.539 1.00 0.00 N ATOM 1872 CA GLY A 124 1.186 9.915 0.227 1.00 0.00 C ATOM 1873 C GLY A 124 1.641 9.662 1.617 1.00 0.00 C ATOM 1874 O GLY A 124 0.960 10.098 2.529 1.00 0.00 O ATOM 0 H GLY A 124 2.949 11.083 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.261 10.491 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.962 8.967 -0.262 1.00 0.00 H new ATOM 1878 N LEU A 125 2.765 8.942 1.889 1.00 0.00 N ATOM 1879 CA LEU A 125 3.221 8.488 3.233 1.00 0.00 C ATOM 1880 C LEU A 125 3.336 9.484 4.443 1.00 0.00 C ATOM 1881 O LEU A 125 3.736 9.106 5.544 1.00 0.00 O ATOM 1882 CB LEU A 125 4.393 7.420 3.142 1.00 0.00 C ATOM 1883 CG LEU A 125 4.143 5.995 3.628 1.00 0.00 C ATOM 1884 CD1 LEU A 125 3.348 5.957 4.950 1.00 0.00 C ATOM 1885 CD2 LEU A 125 3.704 5.151 2.406 1.00 0.00 C ATOM 0 H LEU A 125 3.403 8.651 1.148 1.00 0.00 H new ATOM 0 HA LEU A 125 2.306 8.006 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.702 7.361 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.240 7.814 3.704 1.00 0.00 H new ATOM 0 HG LEU A 125 5.037 5.482 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.196 4.921 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.905 6.484 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.381 6.439 4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.517 4.124 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.793 5.572 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.493 5.162 1.654 1.00 0.00 H new ATOM 1897 N GLY A 126 2.925 10.769 4.260 1.00 0.00 N ATOM 1898 CA GLY A 126 2.822 11.753 5.350 1.00 0.00 C ATOM 1899 C GLY A 126 1.906 12.949 5.116 1.00 0.00 C ATOM 1900 O GLY A 126 2.403 13.928 4.566 1.00 0.00 O ATOM 0 H GLY A 126 2.658 11.142 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.479 11.233 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.823 12.129 5.563 1.00 0.00 H new ATOM 1904 N PRO A 127 0.600 13.027 5.475 1.00 0.00 N ATOM 1905 CA PRO A 127 -0.244 14.211 5.265 1.00 0.00 C ATOM 1906 C PRO A 127 -0.325 15.117 6.514 1.00 0.00 C ATOM 1907 O PRO A 127 -1.282 15.884 6.616 1.00 0.00 O ATOM 1908 CB PRO A 127 -1.619 13.556 5.022 1.00 0.00 C ATOM 1909 CG PRO A 127 -1.644 12.421 6.049 1.00 0.00 C ATOM 1910 CD PRO A 127 -0.185 11.919 6.012 1.00 0.00 C ATOM 0 HA PRO A 127 0.126 14.857 4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -2.436 14.261 5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -1.713 13.181 4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.928 12.774 7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.351 11.638 5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 127 0.159 11.642 7.008 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.092 11.033 5.385 1.00 0.00 H new