USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 755 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 85 THR OG1 : rot -46:sc= 0.868 USER MOD Set 1.2: A 106 HIS : no HE2:sc= -1.14 X(o=-0.27,f=-0.35) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 39 ASN : amide:sc= -4.18! C(o=-4.2!,f=-11!) USER MOD Single : A 43 THR OG1 : rot -64:sc= 1.17 USER MOD Single : A 49 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 52 SER OG : rot 62:sc= 0.149 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.356 USER MOD Single : A 63 SER OG : rot 179:sc= 0.943 USER MOD Single : A 72 GLN : amide:sc= -0.0362 K(o=-0.036,f=-2.4!) USER MOD Single : A 76 TYR OH : rot 5:sc= 1.34 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -20:sc= 0.209 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 84 SER OG : rot -2:sc= -2.87! USER MOD Single : A 91 ASN : amide:sc= -1.52! X(o=-1.5!,f=-1.3) USER MOD Single : A 93 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.3!) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0613) USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0147) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : B 227 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 244 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 248 LYS NZ :NH3+ -166:sc= -0.025 (180deg=-0.21) USER MOD Single : B 249 GLN :FLIP amide:sc= -3.13! C(o=-4.5!,f=-3.1!) USER MOD Single : B 250 ASN : amide:sc= 1.15 K(o=1.2,f=-0.67) USER MOD Single : B 253 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 31 3.421 8.892 4.854 1.00 0.00 N ATOM 102 CA ALA A 31 3.170 8.371 3.528 1.00 0.00 C ATOM 103 C ALA A 31 2.970 6.868 3.534 1.00 0.00 C ATOM 104 O ALA A 31 2.643 6.287 2.504 1.00 0.00 O ATOM 105 CB ALA A 31 4.324 8.739 2.599 1.00 0.00 C ATOM 0 HA ALA A 31 2.246 8.823 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.129 8.344 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.418 9.824 2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.251 8.313 2.983 1.00 0.00 H new ATOM 111 N TYR A 32 3.146 6.248 4.682 1.00 0.00 N ATOM 112 CA TYR A 32 3.087 4.805 4.763 1.00 0.00 C ATOM 113 C TYR A 32 1.816 4.373 5.461 1.00 0.00 C ATOM 114 O TYR A 32 1.352 5.044 6.393 1.00 0.00 O ATOM 115 CB TYR A 32 4.292 4.289 5.557 1.00 0.00 C ATOM 116 CG TYR A 32 5.614 4.888 5.130 1.00 0.00 C ATOM 117 CD1 TYR A 32 6.036 4.821 3.819 1.00 0.00 C ATOM 118 CD2 TYR A 32 6.431 5.545 6.044 1.00 0.00 C ATOM 119 CE1 TYR A 32 7.226 5.374 3.421 1.00 0.00 C ATOM 120 CE2 TYR A 32 7.624 6.105 5.652 1.00 0.00 C ATOM 121 CZ TYR A 32 8.014 6.012 4.339 1.00 0.00 C ATOM 122 OH TYR A 32 9.194 6.565 3.937 1.00 0.00 O ATOM 0 H TYR A 32 3.330 6.719 5.568 1.00 0.00 H new ATOM 0 HA TYR A 32 3.101 4.395 3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.134 4.500 6.615 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.345 3.205 5.453 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.416 4.322 3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.124 5.616 7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.539 5.306 2.390 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.249 6.614 6.371 1.00 0.00 H new ATOM 0 HH TYR A 32 9.638 6.982 4.705 1.00 0.00 H new ATOM 132 N ILE A 33 1.263 3.268 5.037 1.00 0.00 N ATOM 133 CA ILE A 33 0.083 2.714 5.660 1.00 0.00 C ATOM 134 C ILE A 33 0.192 1.214 5.758 1.00 0.00 C ATOM 135 O ILE A 33 0.943 0.578 5.004 1.00 0.00 O ATOM 136 CB ILE A 33 -1.234 3.061 4.920 1.00 0.00 C ATOM 137 CG1 ILE A 33 -1.147 2.670 3.445 1.00 0.00 C ATOM 138 CG2 ILE A 33 -1.586 4.535 5.084 1.00 0.00 C ATOM 139 CD1 ILE A 33 -2.450 2.773 2.716 1.00 0.00 C ATOM 0 H ILE A 33 1.615 2.724 4.250 1.00 0.00 H new ATOM 0 HA ILE A 33 0.037 3.169 6.649 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.038 2.481 5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.414 3.308 2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.780 1.646 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.514 4.749 4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.711 4.764 6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.784 5.148 4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.309 2.480 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.181 2.113 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.810 3.801 2.758 1.00 0.00 H new ATOM 151 N TYR A 34 -0.541 0.678 6.681 1.00 0.00 N ATOM 152 CA TYR A 34 -0.625 -0.722 6.922 1.00 0.00 C ATOM 153 C TYR A 34 -1.966 -1.205 6.445 1.00 0.00 C ATOM 154 O TYR A 34 -3.007 -0.677 6.855 1.00 0.00 O ATOM 155 CB TYR A 34 -0.454 -1.001 8.428 1.00 0.00 C ATOM 156 CG TYR A 34 -0.931 -2.360 8.890 1.00 0.00 C ATOM 157 CD1 TYR A 34 -0.218 -3.514 8.622 1.00 0.00 C ATOM 158 CD2 TYR A 34 -2.116 -2.467 9.589 1.00 0.00 C ATOM 159 CE1 TYR A 34 -0.679 -4.751 9.044 1.00 0.00 C ATOM 160 CE2 TYR A 34 -2.593 -3.686 10.017 1.00 0.00 C ATOM 161 CZ TYR A 34 -1.870 -4.834 9.743 1.00 0.00 C ATOM 162 OH TYR A 34 -2.340 -6.073 10.167 1.00 0.00 O ATOM 0 H TYR A 34 -1.121 1.230 7.313 1.00 0.00 H new ATOM 0 HA TYR A 34 0.165 -1.248 6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.601 -0.898 8.683 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.993 -0.236 8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.712 -3.450 8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.683 -1.574 9.806 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.112 -5.645 8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.524 -3.746 10.562 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.188 -5.955 10.644 1.00 0.00 H new ATOM 172 N ILE A 35 -1.948 -2.146 5.562 1.00 0.00 N ATOM 173 CA ILE A 35 -3.153 -2.743 5.082 1.00 0.00 C ATOM 174 C ILE A 35 -3.210 -4.142 5.655 1.00 0.00 C ATOM 175 O ILE A 35 -2.251 -4.903 5.528 1.00 0.00 O ATOM 176 CB ILE A 35 -3.149 -2.853 3.550 1.00 0.00 C ATOM 177 CG1 ILE A 35 -2.714 -1.540 2.927 1.00 0.00 C ATOM 178 CG2 ILE A 35 -4.567 -3.174 3.084 1.00 0.00 C ATOM 179 CD1 ILE A 35 -2.037 -1.704 1.586 1.00 0.00 C ATOM 0 H ILE A 35 -1.095 -2.526 5.150 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.006 -2.133 5.380 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.454 -3.636 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.586 -0.897 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.033 -1.031 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.583 -3.256 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.890 -4.118 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.242 -2.378 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.753 -0.725 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.146 -2.321 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.723 -2.184 0.888 1.00 0.00 H new ATOM 191 N GLY A 36 -4.292 -4.478 6.266 1.00 0.00 N ATOM 192 CA GLY A 36 -4.420 -5.763 6.870 1.00 0.00 C ATOM 193 C GLY A 36 -5.680 -6.473 6.474 1.00 0.00 C ATOM 194 O GLY A 36 -6.541 -5.899 5.766 1.00 0.00 O ATOM 0 H GLY A 36 -5.110 -3.876 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.562 -6.376 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.397 -5.653 7.954 1.00 0.00 H new ATOM 198 N ASN A 37 -5.777 -7.726 6.915 1.00 0.00 N ATOM 199 CA ASN A 37 -6.909 -8.627 6.659 1.00 0.00 C ATOM 200 C ASN A 37 -7.030 -8.979 5.194 1.00 0.00 C ATOM 201 O ASN A 37 -8.096 -9.362 4.737 1.00 0.00 O ATOM 202 CB ASN A 37 -8.242 -8.059 7.192 1.00 0.00 C ATOM 203 CG ASN A 37 -8.278 -7.966 8.700 1.00 0.00 C ATOM 204 OD1 ASN A 37 -7.917 -6.954 9.281 1.00 0.00 O ATOM 205 ND2 ASN A 37 -8.701 -9.015 9.344 1.00 0.00 N ATOM 0 H ASN A 37 -5.047 -8.160 7.480 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.697 -9.543 7.210 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.405 -7.068 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.063 -8.691 6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.738 -9.007 10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.996 -9.845 8.829 1.00 0.00 H new ATOM 212 N LEU A 38 -5.918 -8.887 4.465 1.00 0.00 N ATOM 213 CA LEU A 38 -5.877 -9.161 3.018 1.00 0.00 C ATOM 214 C LEU A 38 -6.330 -10.540 2.660 1.00 0.00 C ATOM 215 O LEU A 38 -6.027 -11.522 3.356 1.00 0.00 O ATOM 216 CB LEU A 38 -4.478 -8.973 2.414 1.00 0.00 C ATOM 217 CG LEU A 38 -4.118 -7.608 1.846 1.00 0.00 C ATOM 218 CD1 LEU A 38 -5.007 -7.244 0.677 1.00 0.00 C ATOM 219 CD2 LEU A 38 -4.165 -6.551 2.892 1.00 0.00 C ATOM 0 H LEU A 38 -5.015 -8.620 4.857 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.569 -8.429 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.747 -9.216 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.358 -9.707 1.618 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.093 -7.673 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.723 -6.263 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.893 -7.987 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.046 -7.219 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.902 -5.590 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.171 -6.496 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.456 -6.792 3.685 1.00 0.00 H new ATOM 231 N ASN A 39 -7.051 -10.600 1.571 1.00 0.00 N ATOM 232 CA ASN A 39 -7.440 -11.842 0.979 1.00 0.00 C ATOM 233 C ASN A 39 -6.188 -12.454 0.367 1.00 0.00 C ATOM 234 O ASN A 39 -5.356 -11.730 -0.198 1.00 0.00 O ATOM 235 CB ASN A 39 -8.460 -11.584 -0.134 1.00 0.00 C ATOM 236 CG ASN A 39 -9.162 -12.840 -0.649 1.00 0.00 C ATOM 237 OD1 ASN A 39 -8.639 -13.948 -0.594 1.00 0.00 O ATOM 238 ND2 ASN A 39 -10.306 -12.654 -1.230 1.00 0.00 N ATOM 0 H ASN A 39 -7.385 -9.777 1.069 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.886 -12.503 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.213 -10.887 0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.955 -11.097 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.795 -13.441 -1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.717 -11.721 -1.260 1.00 0.00 H new ATOM 245 N ARG A 40 -6.074 -13.749 0.457 1.00 0.00 N ATOM 246 CA ARG A 40 -4.944 -14.503 -0.069 1.00 0.00 C ATOM 247 C ARG A 40 -4.759 -14.312 -1.589 1.00 0.00 C ATOM 248 O ARG A 40 -3.663 -14.485 -2.113 1.00 0.00 O ATOM 249 CB ARG A 40 -5.113 -15.998 0.316 1.00 0.00 C ATOM 250 CG ARG A 40 -6.409 -16.673 -0.173 1.00 0.00 C ATOM 251 CD ARG A 40 -6.338 -17.039 -1.642 1.00 0.00 C ATOM 252 NE ARG A 40 -7.542 -17.714 -2.117 1.00 0.00 N ATOM 253 CZ ARG A 40 -7.773 -18.090 -3.374 1.00 0.00 C ATOM 254 NH1 ARG A 40 -6.854 -17.873 -4.324 1.00 0.00 N ATOM 255 NH2 ARG A 40 -8.921 -18.675 -3.688 1.00 0.00 N ATOM 0 H ARG A 40 -6.776 -14.335 0.908 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.029 -14.118 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.264 -16.554 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.069 -16.081 1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.595 -17.571 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.252 -16.003 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.179 -16.135 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.476 -17.684 -1.809 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.267 -17.915 -1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.973 -17.418 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.036 -18.163 -5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.625 -18.836 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.100 -18.964 -4.650 1.00 0.00 H new ATOM 269 N GLU A 41 -5.839 -13.929 -2.268 1.00 0.00 N ATOM 270 CA GLU A 41 -5.834 -13.788 -3.726 1.00 0.00 C ATOM 271 C GLU A 41 -5.370 -12.404 -4.160 1.00 0.00 C ATOM 272 O GLU A 41 -5.030 -12.197 -5.330 1.00 0.00 O ATOM 273 CB GLU A 41 -7.236 -14.064 -4.300 1.00 0.00 C ATOM 274 CG GLU A 41 -8.283 -13.085 -3.820 1.00 0.00 C ATOM 275 CD GLU A 41 -9.660 -13.349 -4.367 1.00 0.00 C ATOM 276 OE1 GLU A 41 -10.341 -14.286 -3.872 1.00 0.00 O ATOM 277 OE2 GLU A 41 -10.113 -12.594 -5.269 1.00 0.00 O ATOM 0 H GLU A 41 -6.734 -13.709 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.129 -14.521 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.188 -14.030 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.541 -15.074 -4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.323 -13.116 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.979 -12.076 -4.100 1.00 0.00 H new ATOM 284 N LEU A 42 -5.340 -11.474 -3.228 1.00 0.00 N ATOM 285 CA LEU A 42 -5.026 -10.101 -3.541 1.00 0.00 C ATOM 286 C LEU A 42 -3.553 -9.882 -3.772 1.00 0.00 C ATOM 287 O LEU A 42 -2.703 -10.247 -2.942 1.00 0.00 O ATOM 288 CB LEU A 42 -5.607 -9.143 -2.498 1.00 0.00 C ATOM 289 CG LEU A 42 -7.135 -8.998 -2.527 1.00 0.00 C ATOM 290 CD1 LEU A 42 -7.622 -8.126 -1.395 1.00 0.00 C ATOM 291 CD2 LEU A 42 -7.596 -8.421 -3.854 1.00 0.00 C ATOM 0 H LEU A 42 -5.531 -11.649 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.510 -9.871 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.309 -9.485 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.161 -8.159 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.561 -9.994 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.708 -8.042 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.333 -8.571 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.177 -7.135 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.682 -8.327 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.147 -7.438 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.290 -9.083 -4.664 1.00 0.00 H new ATOM 303 N THR A 43 -3.273 -9.311 -4.907 1.00 0.00 N ATOM 304 CA THR A 43 -1.943 -9.044 -5.355 1.00 0.00 C ATOM 305 C THR A 43 -1.683 -7.547 -5.312 1.00 0.00 C ATOM 306 O THR A 43 -2.610 -6.751 -5.044 1.00 0.00 O ATOM 307 CB THR A 43 -1.727 -9.561 -6.806 1.00 0.00 C ATOM 308 OG1 THR A 43 -2.655 -8.922 -7.715 1.00 0.00 O ATOM 309 CG2 THR A 43 -1.908 -11.070 -6.876 1.00 0.00 C ATOM 0 H THR A 43 -3.990 -9.009 -5.566 1.00 0.00 H new ATOM 0 HA THR A 43 -1.249 -9.564 -4.695 1.00 0.00 H new ATOM 0 HB THR A 43 -0.707 -9.314 -7.100 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.572 -9.177 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.752 -11.408 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.184 -11.554 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.917 -11.331 -6.558 1.00 0.00 H new ATOM 317 N GLU A 44 -0.447 -7.167 -5.578 1.00 0.00 N ATOM 318 CA GLU A 44 -0.024 -5.790 -5.604 1.00 0.00 C ATOM 319 C GLU A 44 -0.851 -5.016 -6.605 1.00 0.00 C ATOM 320 O GLU A 44 -1.294 -3.925 -6.321 1.00 0.00 O ATOM 321 CB GLU A 44 1.470 -5.659 -5.975 1.00 0.00 C ATOM 322 CG GLU A 44 2.440 -6.423 -5.075 1.00 0.00 C ATOM 323 CD GLU A 44 2.663 -7.876 -5.480 1.00 0.00 C ATOM 324 OE1 GLU A 44 1.715 -8.572 -5.907 1.00 0.00 O ATOM 325 OE2 GLU A 44 3.813 -8.344 -5.403 1.00 0.00 O ATOM 0 H GLU A 44 0.303 -7.826 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.167 -5.384 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.604 -6.005 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.740 -4.603 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.400 -5.907 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.065 -6.397 -4.052 1.00 0.00 H new ATOM 332 N GLY A 45 -1.086 -5.626 -7.758 1.00 0.00 N ATOM 333 CA GLY A 45 -1.858 -5.004 -8.811 1.00 0.00 C ATOM 334 C GLY A 45 -3.274 -4.672 -8.384 1.00 0.00 C ATOM 335 O GLY A 45 -3.808 -3.615 -8.755 1.00 0.00 O ATOM 0 H GLY A 45 -0.747 -6.561 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.357 -4.091 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.890 -5.670 -9.673 1.00 0.00 H new ATOM 339 N ASP A 46 -3.875 -5.548 -7.580 1.00 0.00 N ATOM 340 CA ASP A 46 -5.239 -5.319 -7.094 1.00 0.00 C ATOM 341 C ASP A 46 -5.233 -4.142 -6.163 1.00 0.00 C ATOM 342 O ASP A 46 -5.997 -3.189 -6.333 1.00 0.00 O ATOM 343 CB ASP A 46 -5.799 -6.525 -6.324 1.00 0.00 C ATOM 344 CG ASP A 46 -5.869 -7.799 -7.112 1.00 0.00 C ATOM 345 OD1 ASP A 46 -6.717 -7.923 -8.003 1.00 0.00 O ATOM 346 OD2 ASP A 46 -5.080 -8.721 -6.839 1.00 0.00 O ATOM 0 H ASP A 46 -3.447 -6.414 -7.253 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.869 -5.146 -7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.181 -6.694 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.800 -6.279 -5.969 1.00 0.00 H new ATOM 351 N ILE A 47 -4.307 -4.188 -5.217 1.00 0.00 N ATOM 352 CA ILE A 47 -4.145 -3.148 -4.228 1.00 0.00 C ATOM 353 C ILE A 47 -3.829 -1.814 -4.896 1.00 0.00 C ATOM 354 O ILE A 47 -4.467 -0.819 -4.618 1.00 0.00 O ATOM 355 CB ILE A 47 -3.050 -3.522 -3.180 1.00 0.00 C ATOM 356 CG1 ILE A 47 -3.516 -4.713 -2.320 1.00 0.00 C ATOM 357 CG2 ILE A 47 -2.674 -2.332 -2.308 1.00 0.00 C ATOM 358 CD1 ILE A 47 -2.539 -5.121 -1.231 1.00 0.00 C ATOM 0 H ILE A 47 -3.644 -4.957 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.089 -3.047 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.153 -3.816 -3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.471 -4.461 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.693 -5.569 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.909 -2.633 -1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.287 -1.529 -2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.556 -1.981 -1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.946 -5.965 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.589 -5.408 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.379 -4.283 -0.553 1.00 0.00 H new ATOM 370 N LEU A 48 -2.918 -1.836 -5.842 1.00 0.00 N ATOM 371 CA LEU A 48 -2.487 -0.638 -6.542 1.00 0.00 C ATOM 372 C LEU A 48 -3.630 0.020 -7.249 1.00 0.00 C ATOM 373 O LEU A 48 -3.798 1.214 -7.143 1.00 0.00 O ATOM 374 CB LEU A 48 -1.390 -0.954 -7.546 1.00 0.00 C ATOM 375 CG LEU A 48 0.010 -1.163 -6.993 1.00 0.00 C ATOM 376 CD1 LEU A 48 0.922 -1.694 -8.085 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.562 0.149 -6.449 1.00 0.00 C ATOM 0 H LEU A 48 -2.450 -2.688 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.095 0.047 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.677 -1.854 -8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.350 -0.142 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.036 -1.889 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.924 -1.842 -7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.535 -2.644 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.963 -0.978 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.565 -0.014 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.602 0.887 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.086 0.513 -5.652 1.00 0.00 H new ATOM 389 N THR A 49 -4.428 -0.768 -7.931 1.00 0.00 N ATOM 390 CA THR A 49 -5.548 -0.253 -8.677 1.00 0.00 C ATOM 391 C THR A 49 -6.561 0.438 -7.765 1.00 0.00 C ATOM 392 O THR A 49 -7.011 1.551 -8.051 1.00 0.00 O ATOM 393 CB THR A 49 -6.239 -1.377 -9.442 1.00 0.00 C ATOM 394 OG1 THR A 49 -5.289 -1.993 -10.337 1.00 0.00 O ATOM 395 CG2 THR A 49 -7.406 -0.822 -10.221 1.00 0.00 C ATOM 0 H THR A 49 -4.318 -1.781 -7.983 1.00 0.00 H new ATOM 0 HA THR A 49 -5.160 0.484 -9.380 1.00 0.00 H new ATOM 0 HB THR A 49 -6.612 -2.125 -8.742 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.796 -2.692 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.896 -1.629 -10.766 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.117 -0.364 -9.534 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.049 -0.072 -10.927 1.00 0.00 H new ATOM 403 N VAL A 50 -6.873 -0.208 -6.666 1.00 0.00 N ATOM 404 CA VAL A 50 -7.817 0.313 -5.715 1.00 0.00 C ATOM 405 C VAL A 50 -7.267 1.569 -5.051 1.00 0.00 C ATOM 406 O VAL A 50 -7.906 2.612 -5.057 1.00 0.00 O ATOM 407 CB VAL A 50 -8.167 -0.757 -4.655 1.00 0.00 C ATOM 408 CG1 VAL A 50 -9.089 -0.197 -3.601 1.00 0.00 C ATOM 409 CG2 VAL A 50 -8.798 -1.969 -5.321 1.00 0.00 C ATOM 0 H VAL A 50 -6.476 -1.112 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.731 0.579 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.243 -1.064 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.318 -0.972 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.604 0.642 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.012 0.144 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.040 -2.715 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.709 -1.667 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.098 -2.395 -6.040 1.00 0.00 H new ATOM 419 N PHE A 51 -6.048 1.470 -4.560 1.00 0.00 N ATOM 420 CA PHE A 51 -5.374 2.533 -3.874 1.00 0.00 C ATOM 421 C PHE A 51 -5.150 3.753 -4.768 1.00 0.00 C ATOM 422 O PHE A 51 -5.116 4.891 -4.301 1.00 0.00 O ATOM 423 CB PHE A 51 -4.096 2.005 -3.240 1.00 0.00 C ATOM 424 CG PHE A 51 -4.366 1.194 -1.967 1.00 0.00 C ATOM 425 CD1 PHE A 51 -5.289 0.154 -1.947 1.00 0.00 C ATOM 426 CD2 PHE A 51 -3.695 1.480 -0.805 1.00 0.00 C ATOM 427 CE1 PHE A 51 -5.520 -0.570 -0.805 1.00 0.00 C ATOM 428 CE2 PHE A 51 -3.924 0.762 0.336 1.00 0.00 C ATOM 429 CZ PHE A 51 -4.831 -0.264 0.344 1.00 0.00 C ATOM 0 H PHE A 51 -5.490 0.619 -4.634 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.016 2.894 -3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.568 1.380 -3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.439 2.842 -3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.834 -0.088 -2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.975 2.285 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.239 -1.376 -0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.385 1.006 1.239 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.004 -0.829 1.248 1.00 0.00 H new ATOM 439 N SER A 52 -5.092 3.513 -6.064 1.00 0.00 N ATOM 440 CA SER A 52 -4.964 4.569 -7.038 1.00 0.00 C ATOM 441 C SER A 52 -6.214 5.460 -7.099 1.00 0.00 C ATOM 442 O SER A 52 -6.135 6.585 -7.566 1.00 0.00 O ATOM 443 CB SER A 52 -4.644 4.001 -8.406 1.00 0.00 C ATOM 444 OG SER A 52 -3.355 3.420 -8.441 1.00 0.00 O ATOM 0 H SER A 52 -5.133 2.577 -6.467 1.00 0.00 H new ATOM 0 HA SER A 52 -4.135 5.201 -6.718 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.389 3.251 -8.672 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.707 4.792 -9.153 1.00 0.00 H new ATOM 0 HG SER A 52 -3.316 2.673 -7.808 1.00 0.00 H new ATOM 450 N GLU A 53 -7.361 4.970 -6.620 1.00 0.00 N ATOM 451 CA GLU A 53 -8.573 5.805 -6.590 1.00 0.00 C ATOM 452 C GLU A 53 -8.413 6.924 -5.522 1.00 0.00 C ATOM 453 O GLU A 53 -9.084 7.959 -5.572 1.00 0.00 O ATOM 454 CB GLU A 53 -9.844 4.965 -6.277 1.00 0.00 C ATOM 455 CG GLU A 53 -11.151 5.743 -6.482 1.00 0.00 C ATOM 456 CD GLU A 53 -12.401 5.050 -5.955 1.00 0.00 C ATOM 457 OE1 GLU A 53 -12.889 4.096 -6.581 1.00 0.00 O ATOM 458 OE2 GLU A 53 -12.955 5.520 -4.938 1.00 0.00 O ATOM 0 H GLU A 53 -7.480 4.025 -6.256 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.697 6.247 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.852 4.080 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.795 4.615 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.059 6.714 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.280 5.932 -7.548 1.00 0.00 H new ATOM 465 N TYR A 54 -7.505 6.712 -4.575 1.00 0.00 N ATOM 466 CA TYR A 54 -7.316 7.638 -3.457 1.00 0.00 C ATOM 467 C TYR A 54 -6.167 8.591 -3.711 1.00 0.00 C ATOM 468 O TYR A 54 -6.088 9.671 -3.109 1.00 0.00 O ATOM 469 CB TYR A 54 -7.094 6.854 -2.170 1.00 0.00 C ATOM 470 CG TYR A 54 -8.141 5.786 -1.984 1.00 0.00 C ATOM 471 CD1 TYR A 54 -9.390 6.067 -1.479 1.00 0.00 C ATOM 472 CD2 TYR A 54 -7.873 4.507 -2.363 1.00 0.00 C ATOM 473 CE1 TYR A 54 -10.339 5.071 -1.369 1.00 0.00 C ATOM 474 CE2 TYR A 54 -8.805 3.507 -2.251 1.00 0.00 C ATOM 475 CZ TYR A 54 -10.041 3.799 -1.755 1.00 0.00 C ATOM 476 OH TYR A 54 -10.994 2.817 -1.655 1.00 0.00 O ATOM 0 H TYR A 54 -6.884 5.903 -4.557 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.219 8.241 -3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.105 6.396 -2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.114 7.536 -1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.629 7.073 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.898 4.272 -2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.319 5.300 -0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.562 2.499 -2.553 1.00 0.00 H new ATOM 0 HH TYR A 54 -10.623 1.967 -1.972 1.00 0.00 H new ATOM 486 N GLY A 55 -5.304 8.223 -4.608 1.00 0.00 N ATOM 487 CA GLY A 55 -4.187 9.041 -4.925 1.00 0.00 C ATOM 488 C GLY A 55 -3.205 8.296 -5.748 1.00 0.00 C ATOM 489 O GLY A 55 -3.551 7.285 -6.352 1.00 0.00 O ATOM 0 H GLY A 55 -5.358 7.351 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.521 9.928 -5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.711 9.386 -4.007 1.00 0.00 H new ATOM 493 N VAL A 56 -1.994 8.757 -5.761 1.00 0.00 N ATOM 494 CA VAL A 56 -0.966 8.145 -6.557 1.00 0.00 C ATOM 495 C VAL A 56 -0.037 7.288 -5.692 1.00 0.00 C ATOM 496 O VAL A 56 0.703 7.823 -4.835 1.00 0.00 O ATOM 497 CB VAL A 56 -0.137 9.207 -7.321 1.00 0.00 C ATOM 498 CG1 VAL A 56 0.939 8.545 -8.163 1.00 0.00 C ATOM 499 CG2 VAL A 56 -1.038 10.071 -8.191 1.00 0.00 C ATOM 0 H VAL A 56 -1.686 9.567 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.462 7.503 -7.285 1.00 0.00 H new ATOM 0 HB VAL A 56 0.349 9.850 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.509 9.309 -8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.607 7.975 -7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.474 7.875 -8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.435 10.810 -8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.556 9.442 -8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.769 10.581 -7.564 1.00 0.00 H new ATOM 509 N PRO A 57 -0.096 5.956 -5.859 1.00 0.00 N ATOM 510 CA PRO A 57 0.794 5.037 -5.175 1.00 0.00 C ATOM 511 C PRO A 57 2.171 5.037 -5.846 1.00 0.00 C ATOM 512 O PRO A 57 2.277 5.138 -7.077 1.00 0.00 O ATOM 513 CB PRO A 57 0.103 3.683 -5.369 1.00 0.00 C ATOM 514 CG PRO A 57 -0.602 3.810 -6.663 1.00 0.00 C ATOM 515 CD PRO A 57 -1.050 5.239 -6.740 1.00 0.00 C ATOM 0 HA PRO A 57 0.961 5.290 -4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.826 2.868 -5.389 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.593 3.472 -4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.057 3.561 -7.495 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.452 3.129 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.012 5.616 -7.762 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.078 5.355 -6.396 1.00 0.00 H new ATOM 523 N VAL A 58 3.217 4.972 -5.063 1.00 0.00 N ATOM 524 CA VAL A 58 4.559 4.965 -5.637 1.00 0.00 C ATOM 525 C VAL A 58 5.302 3.664 -5.348 1.00 0.00 C ATOM 526 O VAL A 58 6.284 3.338 -6.021 1.00 0.00 O ATOM 527 CB VAL A 58 5.421 6.185 -5.192 1.00 0.00 C ATOM 528 CG1 VAL A 58 4.820 7.488 -5.669 1.00 0.00 C ATOM 529 CG2 VAL A 58 5.583 6.223 -3.697 1.00 0.00 C ATOM 0 H VAL A 58 3.180 4.924 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 58 4.409 5.046 -6.714 1.00 0.00 H new ATOM 0 HB VAL A 58 6.403 6.064 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.446 8.319 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.761 7.485 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.819 7.601 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.189 7.085 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.603 6.301 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.075 5.310 -3.361 1.00 0.00 H new ATOM 539 N ASP A 59 4.843 2.924 -4.345 1.00 0.00 N ATOM 540 CA ASP A 59 5.475 1.660 -3.972 1.00 0.00 C ATOM 541 C ASP A 59 4.505 0.846 -3.151 1.00 0.00 C ATOM 542 O ASP A 59 3.741 1.412 -2.352 1.00 0.00 O ATOM 543 CB ASP A 59 6.753 1.906 -3.153 1.00 0.00 C ATOM 544 CG ASP A 59 7.563 0.645 -2.900 1.00 0.00 C ATOM 545 OD1 ASP A 59 8.078 0.031 -3.880 1.00 0.00 O ATOM 546 OD2 ASP A 59 7.771 0.289 -1.733 1.00 0.00 O ATOM 0 H ASP A 59 4.036 3.176 -3.775 1.00 0.00 H new ATOM 0 HA ASP A 59 5.745 1.123 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.377 2.630 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.482 2.352 -2.196 1.00 0.00 H new ATOM 551 N VAL A 60 4.497 -0.442 -3.370 1.00 0.00 N ATOM 552 CA VAL A 60 3.648 -1.353 -2.642 1.00 0.00 C ATOM 553 C VAL A 60 4.415 -2.656 -2.365 1.00 0.00 C ATOM 554 O VAL A 60 5.134 -3.167 -3.234 1.00 0.00 O ATOM 555 CB VAL A 60 2.322 -1.648 -3.427 1.00 0.00 C ATOM 556 CG1 VAL A 60 2.587 -2.370 -4.735 1.00 0.00 C ATOM 557 CG2 VAL A 60 1.318 -2.413 -2.577 1.00 0.00 C ATOM 0 H VAL A 60 5.087 -0.896 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 60 3.370 -0.889 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 60 1.881 -0.681 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.642 -2.555 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.228 -1.755 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.082 -3.320 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.414 -2.597 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.752 -3.365 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.068 -1.826 -1.693 1.00 0.00 H new ATOM 567 N ILE A 61 4.338 -3.130 -1.158 1.00 0.00 N ATOM 568 CA ILE A 61 4.959 -4.367 -0.770 1.00 0.00 C ATOM 569 C ILE A 61 3.900 -5.318 -0.268 1.00 0.00 C ATOM 570 O ILE A 61 3.117 -4.971 0.621 1.00 0.00 O ATOM 571 CB ILE A 61 6.026 -4.140 0.328 1.00 0.00 C ATOM 572 CG1 ILE A 61 7.121 -3.215 -0.192 1.00 0.00 C ATOM 573 CG2 ILE A 61 6.621 -5.464 0.805 1.00 0.00 C ATOM 574 CD1 ILE A 61 8.098 -2.792 0.861 1.00 0.00 C ATOM 0 H ILE A 61 3.836 -2.664 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 61 5.460 -4.792 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 61 5.542 -3.669 1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.660 -3.719 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.660 -2.328 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.367 -5.271 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.830 -6.092 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.091 -5.975 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.848 -2.136 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.571 -2.260 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.587 -3.672 1.278 1.00 0.00 H new ATOM 586 N LEU A 62 3.850 -6.481 -0.840 1.00 0.00 N ATOM 587 CA LEU A 62 2.914 -7.476 -0.422 1.00 0.00 C ATOM 588 C LEU A 62 3.688 -8.448 0.455 1.00 0.00 C ATOM 589 O LEU A 62 4.815 -8.823 0.113 1.00 0.00 O ATOM 590 CB LEU A 62 2.372 -8.223 -1.655 1.00 0.00 C ATOM 591 CG LEU A 62 0.895 -8.661 -1.642 1.00 0.00 C ATOM 592 CD1 LEU A 62 0.526 -9.439 -0.397 1.00 0.00 C ATOM 593 CD2 LEU A 62 -0.016 -7.470 -1.824 1.00 0.00 C ATOM 0 H LEU A 62 4.456 -6.766 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 62 2.073 -7.033 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.524 -7.585 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.983 -9.113 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 62 0.759 -9.340 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.526 -9.721 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.140 -10.337 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.697 -8.820 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.054 -7.801 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.148 -6.759 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.200 -6.989 -2.778 1.00 0.00 H new ATOM 605 N SER A 63 3.156 -8.815 1.569 1.00 0.00 N ATOM 606 CA SER A 63 3.813 -9.784 2.378 1.00 0.00 C ATOM 607 C SER A 63 3.267 -11.149 1.998 1.00 0.00 C ATOM 608 O SER A 63 2.051 -11.317 1.879 1.00 0.00 O ATOM 609 CB SER A 63 3.583 -9.491 3.844 1.00 0.00 C ATOM 610 OG SER A 63 4.374 -10.335 4.653 1.00 0.00 O ATOM 0 H SER A 63 2.274 -8.462 1.940 1.00 0.00 H new ATOM 0 HA SER A 63 4.890 -9.757 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.824 -8.449 4.053 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.529 -9.630 4.087 1.00 0.00 H new ATOM 0 HG SER A 63 4.226 -10.116 5.597 1.00 0.00 H new ATOM 616 N ARG A 64 4.137 -12.097 1.767 1.00 0.00 N ATOM 617 CA ARG A 64 3.747 -13.426 1.351 1.00 0.00 C ATOM 618 C ARG A 64 4.492 -14.480 2.125 1.00 0.00 C ATOM 619 O ARG A 64 5.681 -14.320 2.435 1.00 0.00 O ATOM 620 CB ARG A 64 3.992 -13.626 -0.144 1.00 0.00 C ATOM 621 CG ARG A 64 3.026 -12.908 -1.042 1.00 0.00 C ATOM 622 CD ARG A 64 3.395 -13.075 -2.498 1.00 0.00 C ATOM 623 NE ARG A 64 2.374 -12.491 -3.349 1.00 0.00 N ATOM 624 CZ ARG A 64 2.503 -11.388 -4.082 1.00 0.00 C ATOM 625 NH1 ARG A 64 3.666 -10.737 -4.157 1.00 0.00 N ATOM 626 NH2 ARG A 64 1.458 -10.942 -4.750 1.00 0.00 N ATOM 0 H ARG A 64 5.145 -11.971 1.862 1.00 0.00 H new ATOM 0 HA ARG A 64 2.681 -13.527 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.002 -13.292 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.948 -14.692 -0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.019 -13.290 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.011 -11.848 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.356 -12.599 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.510 -14.133 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 64 1.475 -12.971 -3.389 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.478 -11.083 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.742 -9.893 -4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.570 -11.441 -4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.538 -10.098 -5.317 1.00 0.00 H new ATOM 728 N GLN A 72 0.337 -13.046 3.005 1.00 0.00 N ATOM 729 CA GLN A 72 0.306 -13.235 4.471 1.00 0.00 C ATOM 730 C GLN A 72 -0.964 -12.680 5.080 1.00 0.00 C ATOM 731 O GLN A 72 -1.356 -13.047 6.187 1.00 0.00 O ATOM 732 CB GLN A 72 1.497 -12.519 5.096 1.00 0.00 C ATOM 733 CG GLN A 72 2.811 -13.251 4.985 1.00 0.00 C ATOM 734 CD GLN A 72 2.953 -14.328 6.029 1.00 0.00 C ATOM 735 OE1 GLN A 72 1.975 -14.933 6.469 1.00 0.00 O ATOM 736 NE2 GLN A 72 4.150 -14.542 6.465 1.00 0.00 N ATOM 0 HA GLN A 72 0.346 -14.306 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.602 -11.542 4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.284 -12.344 6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.895 -13.696 3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.631 -12.540 5.086 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.935 -14.021 6.075 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.310 -15.232 7.199 1.00 0.00 H new ATOM 745 N GLY A 73 -1.582 -11.780 4.374 1.00 0.00 N ATOM 746 CA GLY A 73 -2.780 -11.195 4.865 1.00 0.00 C ATOM 747 C GLY A 73 -2.595 -9.761 5.248 1.00 0.00 C ATOM 748 O GLY A 73 -3.487 -9.157 5.827 1.00 0.00 O ATOM 0 H GLY A 73 -1.274 -11.441 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.556 -11.268 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.129 -11.758 5.731 1.00 0.00 H new ATOM 752 N PHE A 74 -1.450 -9.211 4.931 1.00 0.00 N ATOM 753 CA PHE A 74 -1.182 -7.825 5.193 1.00 0.00 C ATOM 754 C PHE A 74 -0.242 -7.308 4.123 1.00 0.00 C ATOM 755 O PHE A 74 0.510 -8.105 3.518 1.00 0.00 O ATOM 756 CB PHE A 74 -0.598 -7.606 6.615 1.00 0.00 C ATOM 757 CG PHE A 74 0.805 -8.119 6.835 1.00 0.00 C ATOM 758 CD1 PHE A 74 1.044 -9.446 7.176 1.00 0.00 C ATOM 759 CD2 PHE A 74 1.882 -7.256 6.708 1.00 0.00 C ATOM 760 CE1 PHE A 74 2.338 -9.901 7.384 1.00 0.00 C ATOM 761 CE2 PHE A 74 3.173 -7.702 6.915 1.00 0.00 C ATOM 762 CZ PHE A 74 3.400 -9.025 7.255 1.00 0.00 C ATOM 0 H PHE A 74 -0.681 -9.712 4.485 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.118 -7.267 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.613 -6.538 6.833 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.258 -8.087 7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.214 -10.129 7.280 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.710 -6.223 6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.515 -10.934 7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.004 -7.020 6.812 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.409 -9.373 7.420 1.00 0.00 H new ATOM 772 N ALA A 75 -0.296 -6.030 3.857 1.00 0.00 N ATOM 773 CA ALA A 75 0.546 -5.423 2.867 1.00 0.00 C ATOM 774 C ALA A 75 0.856 -3.977 3.231 1.00 0.00 C ATOM 775 O ALA A 75 0.294 -3.427 4.189 1.00 0.00 O ATOM 776 CB ALA A 75 -0.114 -5.501 1.507 1.00 0.00 C ATOM 0 H ALA A 75 -0.928 -5.380 4.324 1.00 0.00 H new ATOM 0 HA ALA A 75 1.489 -5.969 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.533 -5.038 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.282 -6.545 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.069 -4.976 1.535 1.00 0.00 H new ATOM 782 N TYR A 76 1.732 -3.385 2.469 1.00 0.00 N ATOM 783 CA TYR A 76 2.176 -2.025 2.651 1.00 0.00 C ATOM 784 C TYR A 76 2.089 -1.282 1.336 1.00 0.00 C ATOM 785 O TYR A 76 2.421 -1.840 0.304 1.00 0.00 O ATOM 786 CB TYR A 76 3.639 -2.050 3.146 1.00 0.00 C ATOM 787 CG TYR A 76 4.454 -0.808 2.837 1.00 0.00 C ATOM 788 CD1 TYR A 76 4.336 0.355 3.575 1.00 0.00 C ATOM 789 CD2 TYR A 76 5.365 -0.827 1.797 1.00 0.00 C ATOM 790 CE1 TYR A 76 5.116 1.454 3.274 1.00 0.00 C ATOM 791 CE2 TYR A 76 6.132 0.256 1.492 1.00 0.00 C ATOM 792 CZ TYR A 76 6.010 1.392 2.228 1.00 0.00 C ATOM 793 OH TYR A 76 6.807 2.464 1.945 1.00 0.00 O ATOM 0 H TYR A 76 2.174 -3.849 1.676 1.00 0.00 H new ATOM 0 HA TYR A 76 1.546 -1.518 3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.637 -2.203 4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.139 -2.911 2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.630 0.404 4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.471 -1.727 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.025 2.359 3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.832 0.213 0.671 1.00 0.00 H new ATOM 0 HH TYR A 76 6.674 3.159 2.624 1.00 0.00 H new ATOM 803 N LEU A 77 1.653 -0.049 1.373 1.00 0.00 N ATOM 804 CA LEU A 77 1.616 0.786 0.197 1.00 0.00 C ATOM 805 C LEU A 77 1.898 2.209 0.621 1.00 0.00 C ATOM 806 O LEU A 77 1.483 2.627 1.702 1.00 0.00 O ATOM 807 CB LEU A 77 0.268 0.649 -0.584 1.00 0.00 C ATOM 808 CG LEU A 77 0.184 1.369 -1.963 1.00 0.00 C ATOM 809 CD1 LEU A 77 -0.839 0.701 -2.852 1.00 0.00 C ATOM 810 CD2 LEU A 77 -0.221 2.813 -1.796 1.00 0.00 C ATOM 0 H LEU A 77 1.313 0.406 2.220 1.00 0.00 H new ATOM 0 HA LEU A 77 2.383 0.461 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.072 -0.412 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.533 1.031 0.049 1.00 0.00 H new ATOM 0 HG LEU A 77 1.174 1.311 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.882 1.219 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.556 -0.339 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.818 0.740 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.272 3.292 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.198 2.864 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.514 3.328 -1.178 1.00 0.00 H new ATOM 822 N LYS A 78 2.649 2.918 -0.175 1.00 0.00 N ATOM 823 CA LYS A 78 2.971 4.284 0.119 1.00 0.00 C ATOM 824 C LYS A 78 2.563 5.168 -1.041 1.00 0.00 C ATOM 825 O LYS A 78 2.645 4.765 -2.228 1.00 0.00 O ATOM 826 CB LYS A 78 4.458 4.492 0.425 1.00 0.00 C ATOM 827 CG LYS A 78 5.373 4.252 -0.746 1.00 0.00 C ATOM 828 CD LYS A 78 6.775 4.795 -0.502 1.00 0.00 C ATOM 829 CE LYS A 78 6.779 6.313 -0.352 1.00 0.00 C ATOM 830 NZ LYS A 78 8.143 6.846 -0.247 1.00 0.00 N ATOM 0 H LYS A 78 3.053 2.566 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 78 2.416 4.556 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.604 5.512 0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.746 3.826 1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.430 3.182 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.953 4.722 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.189 4.340 0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.424 4.510 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.277 6.764 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.210 6.592 0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.105 7.880 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.614 6.434 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.678 6.601 -1.104 1.00 0.00 H new ATOM 844 N TYR A 79 2.117 6.335 -0.718 1.00 0.00 N ATOM 845 CA TYR A 79 1.698 7.293 -1.705 1.00 0.00 C ATOM 846 C TYR A 79 2.693 8.401 -1.785 1.00 0.00 C ATOM 847 O TYR A 79 3.532 8.558 -0.892 1.00 0.00 O ATOM 848 CB TYR A 79 0.353 7.899 -1.345 1.00 0.00 C ATOM 849 CG TYR A 79 -0.798 6.953 -1.369 1.00 0.00 C ATOM 850 CD1 TYR A 79 -1.020 6.078 -0.330 1.00 0.00 C ATOM 851 CD2 TYR A 79 -1.684 6.958 -2.427 1.00 0.00 C ATOM 852 CE1 TYR A 79 -2.089 5.238 -0.338 1.00 0.00 C ATOM 853 CE2 TYR A 79 -2.756 6.116 -2.448 1.00 0.00 C ATOM 854 CZ TYR A 79 -2.956 5.260 -1.402 1.00 0.00 C ATOM 855 OH TYR A 79 -4.025 4.441 -1.411 1.00 0.00 O ATOM 0 H TYR A 79 2.029 6.661 0.245 1.00 0.00 H new ATOM 0 HA TYR A 79 1.618 6.771 -2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.424 8.334 -0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.145 8.716 -2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.335 6.058 0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.526 7.639 -3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.255 4.559 0.486 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.440 6.125 -3.283 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.875 3.701 -0.786 1.00 0.00 H new ATOM 865 N GLU A 80 2.610 9.162 -2.843 1.00 0.00 N ATOM 866 CA GLU A 80 3.427 10.333 -2.983 1.00 0.00 C ATOM 867 C GLU A 80 2.841 11.458 -2.132 1.00 0.00 C ATOM 868 O GLU A 80 3.573 12.271 -1.542 1.00 0.00 O ATOM 869 CB GLU A 80 3.505 10.755 -4.456 1.00 0.00 C ATOM 870 CG GLU A 80 4.317 12.018 -4.704 1.00 0.00 C ATOM 871 CD GLU A 80 4.454 12.340 -6.159 1.00 0.00 C ATOM 872 OE1 GLU A 80 3.494 12.850 -6.762 1.00 0.00 O ATOM 873 OE2 GLU A 80 5.534 12.093 -6.731 1.00 0.00 O ATOM 0 H GLU A 80 1.979 8.988 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 80 4.438 10.114 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.940 9.939 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.493 10.908 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.842 12.856 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.309 11.899 -4.267 1.00 0.00 H new ATOM 880 N ASP A 81 1.519 11.476 -2.026 1.00 0.00 N ATOM 881 CA ASP A 81 0.836 12.528 -1.322 1.00 0.00 C ATOM 882 C ASP A 81 0.248 11.990 -0.032 1.00 0.00 C ATOM 883 O ASP A 81 -0.409 10.949 -0.024 1.00 0.00 O ATOM 884 CB ASP A 81 -0.262 13.124 -2.186 1.00 0.00 C ATOM 885 CG ASP A 81 -0.765 14.424 -1.634 1.00 0.00 C ATOM 886 OD1 ASP A 81 -1.493 14.434 -0.656 1.00 0.00 O ATOM 887 OD2 ASP A 81 -0.398 15.476 -2.168 1.00 0.00 O ATOM 0 H ASP A 81 0.905 10.766 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 81 1.555 13.313 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.116 13.281 -3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.089 12.417 -2.261 1.00 0.00 H new ATOM 892 N GLN A 82 0.511 12.677 1.046 1.00 0.00 N ATOM 893 CA GLN A 82 0.057 12.276 2.371 1.00 0.00 C ATOM 894 C GLN A 82 -1.443 12.432 2.585 1.00 0.00 C ATOM 895 O GLN A 82 -2.011 11.856 3.504 1.00 0.00 O ATOM 896 CB GLN A 82 0.867 12.941 3.437 1.00 0.00 C ATOM 897 CG GLN A 82 2.322 12.643 3.267 1.00 0.00 C ATOM 898 CD GLN A 82 3.163 13.201 4.347 1.00 0.00 C ATOM 899 OE1 GLN A 82 2.853 14.209 4.950 1.00 0.00 O ATOM 900 NE2 GLN A 82 4.243 12.547 4.594 1.00 0.00 N ATOM 0 H GLN A 82 1.052 13.542 1.041 1.00 0.00 H new ATOM 0 HA GLN A 82 0.228 11.202 2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.706 14.019 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.534 12.600 4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.462 11.563 3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.658 13.043 2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.462 11.705 4.062 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.880 12.870 5.322 1.00 0.00 H new ATOM 909 N ARG A 83 -2.069 13.250 1.782 1.00 0.00 N ATOM 910 CA ARG A 83 -3.509 13.401 1.817 1.00 0.00 C ATOM 911 C ARG A 83 -4.146 12.109 1.326 1.00 0.00 C ATOM 912 O ARG A 83 -5.212 11.709 1.762 1.00 0.00 O ATOM 913 CB ARG A 83 -3.956 14.596 0.996 1.00 0.00 C ATOM 914 CG ARG A 83 -3.449 15.927 1.527 1.00 0.00 C ATOM 915 CD ARG A 83 -3.674 17.046 0.528 1.00 0.00 C ATOM 916 NE ARG A 83 -2.893 16.836 -0.701 1.00 0.00 N ATOM 917 CZ ARG A 83 -2.856 17.664 -1.761 1.00 0.00 C ATOM 918 NH1 ARG A 83 -3.590 18.764 -1.786 1.00 0.00 N ATOM 919 NH2 ARG A 83 -2.075 17.383 -2.782 1.00 0.00 N ATOM 0 H ARG A 83 -1.602 13.831 1.086 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.833 13.592 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.612 14.470 -0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.045 14.618 0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.957 16.164 2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.386 15.848 1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.734 17.107 0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.396 17.999 0.979 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.330 15.987 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.193 18.993 -0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.553 19.384 -2.595 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.501 16.540 -2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.044 18.008 -3.588 1.00 0.00 H new ATOM 933 N SER A 84 -3.481 11.484 0.397 1.00 0.00 N ATOM 934 CA SER A 84 -3.907 10.233 -0.163 1.00 0.00 C ATOM 935 C SER A 84 -3.929 9.099 0.877 1.00 0.00 C ATOM 936 O SER A 84 -4.812 8.240 0.829 1.00 0.00 O ATOM 937 CB SER A 84 -3.051 9.873 -1.348 1.00 0.00 C ATOM 938 OG SER A 84 -3.164 10.849 -2.349 1.00 0.00 O ATOM 0 H SER A 84 -2.610 11.837 -0.000 1.00 0.00 H new ATOM 0 HA SER A 84 -4.936 10.359 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.010 9.780 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.354 8.903 -1.742 1.00 0.00 H new ATOM 0 HG SER A 84 -3.804 11.535 -2.066 1.00 0.00 H new ATOM 944 N THR A 85 -2.962 9.081 1.804 1.00 0.00 N ATOM 945 CA THR A 85 -2.897 8.000 2.778 1.00 0.00 C ATOM 946 C THR A 85 -4.124 8.034 3.701 1.00 0.00 C ATOM 947 O THR A 85 -4.802 7.019 3.874 1.00 0.00 O ATOM 948 CB THR A 85 -1.583 8.052 3.614 1.00 0.00 C ATOM 949 OG1 THR A 85 -1.492 9.276 4.333 1.00 0.00 O ATOM 950 CG2 THR A 85 -0.374 7.944 2.715 1.00 0.00 C ATOM 0 H THR A 85 -2.233 9.788 1.895 1.00 0.00 H new ATOM 0 HA THR A 85 -2.897 7.060 2.226 1.00 0.00 H new ATOM 0 HB THR A 85 -1.606 7.213 4.309 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.714 10.022 3.738 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.533 7.982 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.408 7.000 2.171 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.373 8.772 2.006 1.00 0.00 H new ATOM 958 N ILE A 86 -4.461 9.225 4.189 1.00 0.00 N ATOM 959 CA ILE A 86 -5.636 9.422 5.029 1.00 0.00 C ATOM 960 C ILE A 86 -6.913 9.134 4.252 1.00 0.00 C ATOM 961 O ILE A 86 -7.842 8.515 4.783 1.00 0.00 O ATOM 962 CB ILE A 86 -5.663 10.835 5.706 1.00 0.00 C ATOM 963 CG1 ILE A 86 -5.374 11.933 4.681 1.00 0.00 C ATOM 964 CG2 ILE A 86 -4.684 10.899 6.856 1.00 0.00 C ATOM 965 CD1 ILE A 86 -5.120 13.301 5.254 1.00 0.00 C ATOM 0 H ILE A 86 -3.929 10.077 4.013 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.574 8.702 5.845 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.663 11.001 6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.506 11.637 4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.218 11.996 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.721 11.889 7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.948 10.148 7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.677 10.706 6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.926 14.004 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.994 13.628 5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.255 13.263 5.917 1.00 0.00 H new ATOM 977 N LEU A 87 -6.935 9.547 2.984 1.00 0.00 N ATOM 978 CA LEU A 87 -8.064 9.272 2.092 1.00 0.00 C ATOM 979 C LEU A 87 -8.299 7.787 1.931 1.00 0.00 C ATOM 980 O LEU A 87 -9.442 7.316 2.017 1.00 0.00 O ATOM 981 CB LEU A 87 -7.786 9.826 0.697 1.00 0.00 C ATOM 982 CG LEU A 87 -8.075 11.286 0.438 1.00 0.00 C ATOM 983 CD1 LEU A 87 -7.517 11.657 -0.926 1.00 0.00 C ATOM 984 CD2 LEU A 87 -9.573 11.483 0.435 1.00 0.00 C ATOM 0 H LEU A 87 -6.179 10.076 2.549 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.937 9.744 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.734 9.650 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.367 9.240 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.618 11.910 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.718 12.709 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.441 11.484 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.991 11.044 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.802 12.532 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.019 10.870 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.981 11.189 1.402 1.00 0.00 H new ATOM 996 N ALA A 88 -7.227 7.053 1.737 1.00 0.00 N ATOM 997 CA ALA A 88 -7.320 5.643 1.514 1.00 0.00 C ATOM 998 C ALA A 88 -7.708 4.921 2.776 1.00 0.00 C ATOM 999 O ALA A 88 -8.609 4.123 2.758 1.00 0.00 O ATOM 1000 CB ALA A 88 -6.044 5.096 0.889 1.00 0.00 C ATOM 0 H ALA A 88 -6.276 7.421 1.731 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.117 5.462 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.147 4.022 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.868 5.587 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.202 5.287 1.555 1.00 0.00 H new ATOM 1006 N VAL A 89 -7.071 5.261 3.883 1.00 0.00 N ATOM 1007 CA VAL A 89 -7.383 4.639 5.172 1.00 0.00 C ATOM 1008 C VAL A 89 -8.868 4.809 5.518 1.00 0.00 C ATOM 1009 O VAL A 89 -9.565 3.849 5.775 1.00 0.00 O ATOM 1010 CB VAL A 89 -6.516 5.237 6.318 1.00 0.00 C ATOM 1011 CG1 VAL A 89 -6.957 4.706 7.665 1.00 0.00 C ATOM 1012 CG2 VAL A 89 -5.054 4.916 6.104 1.00 0.00 C ATOM 0 H VAL A 89 -6.333 5.964 3.922 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.155 3.577 5.078 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.651 6.318 6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.335 5.139 8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.999 4.975 7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.855 3.621 7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.465 5.343 6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.918 3.835 6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.724 5.339 5.155 1.00 0.00 H new ATOM 1022 N ASP A 90 -9.333 6.016 5.397 1.00 0.00 N ATOM 1023 CA ASP A 90 -10.695 6.407 5.778 1.00 0.00 C ATOM 1024 C ASP A 90 -11.744 5.694 4.949 1.00 0.00 C ATOM 1025 O ASP A 90 -12.769 5.242 5.465 1.00 0.00 O ATOM 1026 CB ASP A 90 -10.862 7.932 5.614 1.00 0.00 C ATOM 1027 CG ASP A 90 -12.255 8.446 5.936 1.00 0.00 C ATOM 1028 OD1 ASP A 90 -12.576 8.617 7.121 1.00 0.00 O ATOM 1029 OD2 ASP A 90 -13.047 8.725 5.001 1.00 0.00 O ATOM 0 H ASP A 90 -8.779 6.787 5.025 1.00 0.00 H new ATOM 0 HA ASP A 90 -10.841 6.120 6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.143 8.436 6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.615 8.205 4.588 1.00 0.00 H new ATOM 1034 N ASN A 91 -11.463 5.542 3.690 1.00 0.00 N ATOM 1035 CA ASN A 91 -12.453 5.037 2.754 1.00 0.00 C ATOM 1036 C ASN A 91 -12.315 3.520 2.513 1.00 0.00 C ATOM 1037 O ASN A 91 -13.258 2.865 2.089 1.00 0.00 O ATOM 1038 CB ASN A 91 -12.385 5.851 1.451 1.00 0.00 C ATOM 1039 CG ASN A 91 -13.580 5.656 0.531 1.00 0.00 C ATOM 1040 OD1 ASN A 91 -14.664 5.328 0.980 1.00 0.00 O ATOM 1041 ND2 ASN A 91 -13.420 5.950 -0.743 1.00 0.00 N ATOM 0 H ASN A 91 -10.557 5.758 3.275 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.443 5.167 3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.302 6.909 1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.478 5.578 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.215 5.906 -1.380 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.501 6.222 -1.092 1.00 0.00 H new ATOM 1048 N LEU A 92 -11.152 2.970 2.812 1.00 0.00 N ATOM 1049 CA LEU A 92 -10.895 1.538 2.587 1.00 0.00 C ATOM 1050 C LEU A 92 -11.111 0.737 3.830 1.00 0.00 C ATOM 1051 O LEU A 92 -11.478 -0.441 3.770 1.00 0.00 O ATOM 1052 CB LEU A 92 -9.468 1.322 2.135 1.00 0.00 C ATOM 1053 CG LEU A 92 -9.180 1.473 0.672 1.00 0.00 C ATOM 1054 CD1 LEU A 92 -7.720 1.795 0.485 1.00 0.00 C ATOM 1055 CD2 LEU A 92 -9.496 0.168 -0.025 1.00 0.00 C ATOM 0 H LEU A 92 -10.365 3.482 3.211 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.595 1.209 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.833 2.022 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.167 0.319 2.436 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.788 2.275 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.505 1.906 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.483 2.725 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.114 0.987 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.290 0.266 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.878 -0.627 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.548 -0.077 0.120 1.00 0.00 H new ATOM 1067 N ASN A 93 -10.857 1.345 4.958 1.00 0.00 N ATOM 1068 CA ASN A 93 -10.991 0.649 6.214 1.00 0.00 C ATOM 1069 C ASN A 93 -12.453 0.283 6.454 1.00 0.00 C ATOM 1070 O ASN A 93 -13.339 1.144 6.384 1.00 0.00 O ATOM 1071 CB ASN A 93 -10.462 1.529 7.335 1.00 0.00 C ATOM 1072 CG ASN A 93 -10.445 0.863 8.677 1.00 0.00 C ATOM 1073 OD1 ASN A 93 -10.298 -0.353 8.785 1.00 0.00 O ATOM 1074 ND2 ASN A 93 -10.562 1.635 9.700 1.00 0.00 N ATOM 0 H ASN A 93 -10.557 2.317 5.035 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.411 -0.273 6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.450 1.847 7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.073 2.429 7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.534 1.242 10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.683 2.639 9.570 1.00 0.00 H new ATOM 1081 N GLY A 94 -12.702 -0.986 6.698 1.00 0.00 N ATOM 1082 CA GLY A 94 -14.049 -1.456 6.937 1.00 0.00 C ATOM 1083 C GLY A 94 -14.779 -1.838 5.656 1.00 0.00 C ATOM 1084 O GLY A 94 -15.929 -2.274 5.699 1.00 0.00 O ATOM 0 H GLY A 94 -11.987 -1.712 6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.015 -2.320 7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.613 -0.679 7.453 1.00 0.00 H new ATOM 1088 N PHE A 95 -14.126 -1.677 4.520 1.00 0.00 N ATOM 1089 CA PHE A 95 -14.750 -1.981 3.246 1.00 0.00 C ATOM 1090 C PHE A 95 -14.491 -3.439 2.870 1.00 0.00 C ATOM 1091 O PHE A 95 -13.376 -3.948 3.048 1.00 0.00 O ATOM 1092 CB PHE A 95 -14.237 -1.030 2.158 1.00 0.00 C ATOM 1093 CG PHE A 95 -14.959 -1.159 0.849 1.00 0.00 C ATOM 1094 CD1 PHE A 95 -16.234 -0.647 0.687 1.00 0.00 C ATOM 1095 CD2 PHE A 95 -14.368 -1.793 -0.212 1.00 0.00 C ATOM 1096 CE1 PHE A 95 -16.896 -0.776 -0.515 1.00 0.00 C ATOM 1097 CE2 PHE A 95 -15.025 -1.923 -1.411 1.00 0.00 C ATOM 1098 CZ PHE A 95 -16.285 -1.419 -1.563 1.00 0.00 C ATOM 0 H PHE A 95 -13.166 -1.338 4.453 1.00 0.00 H new ATOM 0 HA PHE A 95 -15.827 -1.837 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -14.329 -0.004 2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -13.175 -1.217 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -16.715 -0.141 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -13.372 -2.196 -0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -17.891 -0.373 -0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -14.543 -2.426 -2.237 1.00 0.00 H new ATOM 0 HZ PHE A 95 -16.800 -1.526 -2.506 1.00 0.00 H new ATOM 1108 N LYS A 96 -15.509 -4.101 2.365 1.00 0.00 N ATOM 1109 CA LYS A 96 -15.425 -5.504 2.025 1.00 0.00 C ATOM 1110 C LYS A 96 -15.028 -5.709 0.581 1.00 0.00 C ATOM 1111 O LYS A 96 -15.742 -5.311 -0.351 1.00 0.00 O ATOM 1112 CB LYS A 96 -16.735 -6.277 2.330 1.00 0.00 C ATOM 1113 CG LYS A 96 -17.077 -6.484 3.818 1.00 0.00 C ATOM 1114 CD LYS A 96 -17.353 -5.164 4.556 1.00 0.00 C ATOM 1115 CE LYS A 96 -17.858 -5.372 5.984 1.00 0.00 C ATOM 1116 NZ LYS A 96 -19.216 -5.965 6.024 1.00 0.00 N ATOM 0 H LYS A 96 -16.419 -3.681 2.178 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.644 -5.915 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -17.563 -5.746 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.673 -7.256 1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.952 -7.129 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.252 -7.002 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.439 -4.571 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.090 -4.588 3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.166 -6.021 6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.867 -4.415 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.561 -5.977 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.860 -5.397 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.181 -6.938 5.658 1.00 0.00 H new ATOM 1130 N ILE A 97 -13.888 -6.318 0.402 1.00 0.00 N ATOM 1131 CA ILE A 97 -13.399 -6.678 -0.903 1.00 0.00 C ATOM 1132 C ILE A 97 -13.062 -8.160 -0.845 1.00 0.00 C ATOM 1133 O ILE A 97 -12.482 -8.620 0.142 1.00 0.00 O ATOM 1134 CB ILE A 97 -12.103 -5.868 -1.230 1.00 0.00 C ATOM 1135 CG1 ILE A 97 -12.383 -4.363 -1.275 1.00 0.00 C ATOM 1136 CG2 ILE A 97 -11.438 -6.336 -2.513 1.00 0.00 C ATOM 1137 CD1 ILE A 97 -11.179 -3.503 -1.603 1.00 0.00 C ATOM 0 H ILE A 97 -13.265 -6.582 1.165 1.00 0.00 H new ATOM 0 HA ILE A 97 -14.142 -6.463 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.401 -6.059 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -13.160 -4.174 -2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -12.782 -4.053 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -10.542 -5.742 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -11.164 -7.387 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.130 -6.215 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -11.473 -2.454 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -10.406 -3.656 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.790 -3.780 -2.583 1.00 0.00 H new ATOM 1149 N GLY A 98 -13.358 -8.891 -1.887 1.00 0.00 N ATOM 1150 CA GLY A 98 -13.091 -10.320 -1.910 1.00 0.00 C ATOM 1151 C GLY A 98 -13.874 -11.085 -0.853 1.00 0.00 C ATOM 1152 O GLY A 98 -13.499 -12.196 -0.477 1.00 0.00 O ATOM 0 H GLY A 98 -13.786 -8.526 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.338 -10.715 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.025 -10.488 -1.758 1.00 0.00 H new ATOM 1156 N GLY A 99 -14.932 -10.481 -0.351 1.00 0.00 N ATOM 1157 CA GLY A 99 -15.728 -11.101 0.674 1.00 0.00 C ATOM 1158 C GLY A 99 -15.281 -10.734 2.070 1.00 0.00 C ATOM 1159 O GLY A 99 -15.973 -11.026 3.049 1.00 0.00 O ATOM 0 H GLY A 99 -15.257 -9.559 -0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.770 -10.809 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.683 -12.184 0.557 1.00 0.00 H new ATOM 1163 N ARG A 100 -14.148 -10.084 2.177 1.00 0.00 N ATOM 1164 CA ARG A 100 -13.594 -9.770 3.444 1.00 0.00 C ATOM 1165 C ARG A 100 -13.295 -8.297 3.626 1.00 0.00 C ATOM 1166 O ARG A 100 -12.957 -7.594 2.673 1.00 0.00 O ATOM 1167 CB ARG A 100 -12.421 -10.682 3.747 1.00 0.00 C ATOM 1168 CG ARG A 100 -11.485 -10.976 2.593 1.00 0.00 C ATOM 1169 CD ARG A 100 -10.234 -10.150 2.624 1.00 0.00 C ATOM 1170 NE ARG A 100 -10.389 -8.945 1.810 1.00 0.00 N ATOM 1171 CZ ARG A 100 -9.634 -7.869 1.858 1.00 0.00 C ATOM 1172 NH1 ARG A 100 -8.801 -7.686 2.844 1.00 0.00 N ATOM 1173 NH2 ARG A 100 -9.750 -6.959 0.914 1.00 0.00 N ATOM 0 H ARG A 100 -13.595 -9.764 1.382 1.00 0.00 H new ATOM 0 HA ARG A 100 -14.357 -9.967 4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -11.840 -10.236 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.811 -11.629 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.216 -12.032 2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -12.008 -10.796 1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.001 -9.873 3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.394 -10.739 2.255 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.158 -8.938 1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.730 -8.381 3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.220 -6.848 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.420 -7.093 0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.170 -6.120 0.940 1.00 0.00 H new ATOM 1187 N ALA A 101 -13.439 -7.837 4.837 1.00 0.00 N ATOM 1188 CA ALA A 101 -13.263 -6.439 5.162 1.00 0.00 C ATOM 1189 C ALA A 101 -11.798 -6.075 5.295 1.00 0.00 C ATOM 1190 O ALA A 101 -11.005 -6.829 5.866 1.00 0.00 O ATOM 1191 CB ALA A 101 -14.009 -6.096 6.441 1.00 0.00 C ATOM 0 H ALA A 101 -13.684 -8.422 5.636 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.676 -5.855 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.867 -5.040 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.072 -6.299 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.624 -6.702 7.261 1.00 0.00 H new ATOM 1197 N LEU A 102 -11.446 -4.953 4.732 1.00 0.00 N ATOM 1198 CA LEU A 102 -10.118 -4.414 4.825 1.00 0.00 C ATOM 1199 C LEU A 102 -9.895 -3.659 6.100 1.00 0.00 C ATOM 1200 O LEU A 102 -10.823 -3.071 6.667 1.00 0.00 O ATOM 1201 CB LEU A 102 -9.821 -3.503 3.646 1.00 0.00 C ATOM 1202 CG LEU A 102 -9.169 -4.163 2.456 1.00 0.00 C ATOM 1203 CD1 LEU A 102 -9.114 -3.200 1.293 1.00 0.00 C ATOM 1204 CD2 LEU A 102 -7.765 -4.592 2.837 1.00 0.00 C ATOM 0 H LEU A 102 -12.086 -4.377 4.185 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.439 -5.266 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.755 -3.047 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.175 -2.695 3.989 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.752 -5.035 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.642 -3.687 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.126 -2.897 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.535 -2.321 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.286 -5.070 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.186 -3.718 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.813 -5.296 3.667 1.00 0.00 H new ATOM 1216 N LYS A 103 -8.684 -3.699 6.563 1.00 0.00 N ATOM 1217 CA LYS A 103 -8.285 -2.937 7.696 1.00 0.00 C ATOM 1218 C LYS A 103 -7.114 -2.099 7.284 1.00 0.00 C ATOM 1219 O LYS A 103 -6.123 -2.629 6.823 1.00 0.00 O ATOM 1220 CB LYS A 103 -7.910 -3.843 8.873 1.00 0.00 C ATOM 1221 CG LYS A 103 -7.489 -3.111 10.156 1.00 0.00 C ATOM 1222 CD LYS A 103 -8.612 -2.276 10.760 1.00 0.00 C ATOM 1223 CE LYS A 103 -9.834 -3.113 11.113 1.00 0.00 C ATOM 1224 NZ LYS A 103 -9.560 -4.166 12.122 1.00 0.00 N ATOM 0 H LYS A 103 -7.941 -4.268 6.158 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.110 -2.309 8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.761 -4.484 9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.094 -4.496 8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.151 -3.842 10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.640 -2.464 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.247 -1.776 11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.901 -1.496 10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.618 -2.456 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.218 -3.581 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.443 -4.664 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.871 -4.844 11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.173 -3.729 12.983 1.00 0.00 H new ATOM 1238 N ILE A 104 -7.246 -0.813 7.378 1.00 0.00 N ATOM 1239 CA ILE A 104 -6.163 0.060 7.000 1.00 0.00 C ATOM 1240 C ILE A 104 -5.828 0.895 8.203 1.00 0.00 C ATOM 1241 O ILE A 104 -6.740 1.384 8.889 1.00 0.00 O ATOM 1242 CB ILE A 104 -6.542 1.042 5.859 1.00 0.00 C ATOM 1243 CG1 ILE A 104 -7.503 0.413 4.842 1.00 0.00 C ATOM 1244 CG2 ILE A 104 -5.272 1.497 5.141 1.00 0.00 C ATOM 1245 CD1 ILE A 104 -6.948 -0.762 4.066 1.00 0.00 C ATOM 0 H ILE A 104 -8.086 -0.339 7.711 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.339 -0.562 6.650 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.054 1.891 6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.400 0.088 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.810 1.182 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -5.535 2.187 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.613 1.999 5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.761 0.630 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.706 -1.132 3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.069 -0.445 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.669 -1.556 4.758 1.00 0.00 H new ATOM 1257 N ASP A 105 -4.577 1.038 8.489 1.00 0.00 N ATOM 1258 CA ASP A 105 -4.153 1.852 9.606 1.00 0.00 C ATOM 1259 C ASP A 105 -2.868 2.553 9.212 1.00 0.00 C ATOM 1260 O ASP A 105 -2.187 2.119 8.283 1.00 0.00 O ATOM 1261 CB ASP A 105 -3.917 0.967 10.843 1.00 0.00 C ATOM 1262 CG ASP A 105 -3.978 1.723 12.171 1.00 0.00 C ATOM 1263 OD1 ASP A 105 -3.335 2.771 12.337 1.00 0.00 O ATOM 1264 OD2 ASP A 105 -4.714 1.276 13.079 1.00 0.00 O ATOM 0 H ASP A 105 -3.816 0.603 7.967 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.921 2.585 9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.662 0.172 10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.942 0.489 10.754 1.00 0.00 H new ATOM 1269 N HIS A 106 -2.548 3.623 9.871 1.00 0.00 N ATOM 1270 CA HIS A 106 -1.324 4.336 9.607 1.00 0.00 C ATOM 1271 C HIS A 106 -0.202 3.686 10.363 1.00 0.00 C ATOM 1272 O HIS A 106 -0.376 3.241 11.499 1.00 0.00 O ATOM 1273 CB HIS A 106 -1.421 5.812 9.994 1.00 0.00 C ATOM 1274 CG HIS A 106 -2.277 6.639 9.090 1.00 0.00 C ATOM 1275 ND1 HIS A 106 -1.783 7.595 8.233 1.00 0.00 N ATOM 1276 CD2 HIS A 106 -3.615 6.660 8.937 1.00 0.00 C ATOM 1277 CE1 HIS A 106 -2.807 8.155 7.601 1.00 0.00 C ATOM 1278 NE2 HIS A 106 -3.952 7.624 7.993 1.00 0.00 N ATOM 0 H HIS A 106 -3.123 4.031 10.608 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.135 4.293 8.534 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -1.813 5.883 11.009 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -0.417 6.236 10.010 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -0.799 7.833 8.105 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -4.315 6.028 9.464 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -2.717 8.940 6.865 1.00 0.00 H new ATOM 1286 N THR A 107 0.929 3.625 9.756 1.00 0.00 N ATOM 1287 CA THR A 107 2.062 3.017 10.351 1.00 0.00 C ATOM 1288 C THR A 107 3.278 3.640 9.674 1.00 0.00 C ATOM 1289 O THR A 107 3.128 4.277 8.620 1.00 0.00 O ATOM 1290 CB THR A 107 2.027 1.457 10.106 1.00 0.00 C ATOM 1291 OG1 THR A 107 2.979 0.794 10.934 1.00 0.00 O ATOM 1292 CG2 THR A 107 2.345 1.126 8.644 1.00 0.00 C ATOM 0 H THR A 107 1.094 4.000 8.822 1.00 0.00 H new ATOM 0 HA THR A 107 2.088 3.176 11.429 1.00 0.00 H new ATOM 0 HB THR A 107 1.022 1.114 10.350 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.940 -0.171 10.769 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.315 0.046 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.608 1.599 7.995 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.339 1.497 8.395 1.00 0.00 H new ATOM 1300 N PHE A 108 4.435 3.542 10.253 1.00 0.00 N ATOM 1301 CA PHE A 108 5.595 3.980 9.542 1.00 0.00 C ATOM 1302 C PHE A 108 6.423 2.772 9.165 1.00 0.00 C ATOM 1303 O PHE A 108 6.965 2.078 10.012 1.00 0.00 O ATOM 1304 CB PHE A 108 6.390 5.055 10.330 1.00 0.00 C ATOM 1305 CG PHE A 108 6.687 4.737 11.789 1.00 0.00 C ATOM 1306 CD1 PHE A 108 7.811 4.011 12.152 1.00 0.00 C ATOM 1307 CD2 PHE A 108 5.842 5.186 12.790 1.00 0.00 C ATOM 1308 CE1 PHE A 108 8.083 3.734 13.476 1.00 0.00 C ATOM 1309 CE2 PHE A 108 6.109 4.915 14.118 1.00 0.00 C ATOM 1310 CZ PHE A 108 7.231 4.189 14.462 1.00 0.00 C ATOM 0 H PHE A 108 4.600 3.173 11.190 1.00 0.00 H new ATOM 0 HA PHE A 108 5.293 4.482 8.623 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.337 5.225 9.817 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.833 5.991 10.290 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.485 3.657 11.386 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.962 5.756 12.529 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.960 3.163 13.740 1.00 0.00 H new ATOM 0 HE2 PHE A 108 5.440 5.271 14.887 1.00 0.00 H new ATOM 0 HZ PHE A 108 7.442 3.977 15.500 1.00 0.00 H new ATOM 1320 N TYR A 109 6.450 2.491 7.902 1.00 0.00 N ATOM 1321 CA TYR A 109 7.171 1.362 7.402 1.00 0.00 C ATOM 1322 C TYR A 109 8.412 1.801 6.646 1.00 0.00 C ATOM 1323 O TYR A 109 8.374 2.787 5.912 1.00 0.00 O ATOM 1324 CB TYR A 109 6.259 0.487 6.534 1.00 0.00 C ATOM 1325 CG TYR A 109 6.896 -0.808 6.094 1.00 0.00 C ATOM 1326 CD1 TYR A 109 6.847 -1.930 6.903 1.00 0.00 C ATOM 1327 CD2 TYR A 109 7.562 -0.900 4.883 1.00 0.00 C ATOM 1328 CE1 TYR A 109 7.448 -3.106 6.520 1.00 0.00 C ATOM 1329 CE2 TYR A 109 8.159 -2.068 4.488 1.00 0.00 C ATOM 1330 CZ TYR A 109 8.103 -3.174 5.313 1.00 0.00 C ATOM 1331 OH TYR A 109 8.717 -4.351 4.935 1.00 0.00 O ATOM 0 H TYR A 109 5.972 3.038 7.186 1.00 0.00 H new ATOM 0 HA TYR A 109 7.504 0.761 8.248 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.349 0.263 7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.961 1.053 5.651 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.329 -1.881 7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.612 -0.035 4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.406 -3.972 7.164 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.670 -2.123 3.538 1.00 0.00 H new ATOM 0 HH TYR A 109 9.134 -4.235 4.056 1.00 0.00 H new ATOM 1497 N ILE B 226 -7.104 14.875 -4.875 1.00 0.00 N ATOM 1498 CA ILE B 226 -5.831 14.357 -5.305 1.00 0.00 C ATOM 1499 C ILE B 226 -6.044 13.486 -6.517 1.00 0.00 C ATOM 1500 O ILE B 226 -6.963 12.652 -6.525 1.00 0.00 O ATOM 1501 CB ILE B 226 -5.091 13.546 -4.177 1.00 0.00 C ATOM 1502 CG1 ILE B 226 -4.619 14.447 -3.033 1.00 0.00 C ATOM 1503 CG2 ILE B 226 -3.938 12.733 -4.709 1.00 0.00 C ATOM 1504 CD1 ILE B 226 -5.674 14.771 -2.028 1.00 0.00 C ATOM 0 HA ILE B 226 -5.190 15.204 -5.549 1.00 0.00 H new ATOM 0 HB ILE B 226 -5.832 12.852 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE B 226 -3.786 13.961 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE B 226 -4.237 15.377 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE B 226 -3.464 12.194 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE B 226 -4.305 12.020 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE B 226 -3.210 13.396 -5.176 1.00 0.00 H new ATOM 0 HD11 ILE B 226 -5.254 15.413 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE B 226 -6.498 15.287 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE B 226 -6.041 13.850 -1.576 1.00 0.00 H new ATOM 1516 N MET B 227 -5.228 13.699 -7.536 1.00 0.00 N ATOM 1517 CA MET B 227 -5.296 12.945 -8.775 1.00 0.00 C ATOM 1518 C MET B 227 -5.090 11.459 -8.532 1.00 0.00 C ATOM 1519 O MET B 227 -4.273 11.067 -7.694 1.00 0.00 O ATOM 1520 CB MET B 227 -4.261 13.462 -9.776 1.00 0.00 C ATOM 1521 CG MET B 227 -4.577 14.834 -10.327 1.00 0.00 C ATOM 1522 SD MET B 227 -6.080 14.838 -11.329 1.00 0.00 S ATOM 1523 CE MET B 227 -6.178 16.568 -11.785 1.00 0.00 C ATOM 0 H MET B 227 -4.493 14.407 -7.526 1.00 0.00 H new ATOM 0 HA MET B 227 -6.293 13.085 -9.192 1.00 0.00 H new ATOM 0 HB2 MET B 227 -3.285 13.491 -9.292 1.00 0.00 H new ATOM 0 HB3 MET B 227 -4.186 12.757 -10.604 1.00 0.00 H new ATOM 0 HG2 MET B 227 -4.691 15.537 -9.502 1.00 0.00 H new ATOM 0 HG3 MET B 227 -3.739 15.183 -10.931 1.00 0.00 H new ATOM 0 HE1 MET B 227 -7.058 16.731 -12.408 1.00 0.00 H new ATOM 0 HE2 MET B 227 -6.253 17.178 -10.885 1.00 0.00 H new ATOM 0 HE3 MET B 227 -5.283 16.849 -12.340 1.00 0.00 H new ATOM 1533 N PRO B 228 -5.852 10.621 -9.234 1.00 0.00 N ATOM 1534 CA PRO B 228 -5.744 9.178 -9.112 1.00 0.00 C ATOM 1535 C PRO B 228 -4.449 8.660 -9.736 1.00 0.00 C ATOM 1536 O PRO B 228 -3.860 9.313 -10.607 1.00 0.00 O ATOM 1537 CB PRO B 228 -6.957 8.661 -9.890 1.00 0.00 C ATOM 1538 CG PRO B 228 -7.256 9.730 -10.879 1.00 0.00 C ATOM 1539 CD PRO B 228 -6.892 11.019 -10.211 1.00 0.00 C ATOM 0 HA PRO B 228 -5.724 8.849 -8.073 1.00 0.00 H new ATOM 0 HB2 PRO B 228 -6.736 7.715 -10.384 1.00 0.00 H new ATOM 0 HB3 PRO B 228 -7.806 8.485 -9.229 1.00 0.00 H new ATOM 0 HG2 PRO B 228 -6.681 9.588 -11.794 1.00 0.00 H new ATOM 0 HG3 PRO B 228 -8.309 9.719 -11.160 1.00 0.00 H new ATOM 0 HD2 PRO B 228 -6.512 11.749 -10.926 1.00 0.00 H new ATOM 0 HD3 PRO B 228 -7.752 11.473 -9.719 1.00 0.00 H new ATOM 1547 N GLY B 229 -4.009 7.515 -9.284 1.00 0.00 N ATOM 1548 CA GLY B 229 -2.794 6.916 -9.792 1.00 0.00 C ATOM 1549 C GLY B 229 -2.971 6.320 -11.173 1.00 0.00 C ATOM 1550 O GLY B 229 -4.099 6.158 -11.653 1.00 0.00 O ATOM 0 H GLY B 229 -4.476 6.971 -8.558 1.00 0.00 H new ATOM 0 HA2 GLY B 229 -2.008 7.670 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY B 229 -2.462 6.138 -9.105 1.00 0.00 H new ATOM 1554 N SER B 230 -1.874 5.961 -11.796 1.00 0.00 N ATOM 1555 CA SER B 230 -1.894 5.408 -13.126 1.00 0.00 C ATOM 1556 C SER B 230 -2.331 3.936 -13.085 1.00 0.00 C ATOM 1557 O SER B 230 -2.713 3.364 -14.098 1.00 0.00 O ATOM 1558 CB SER B 230 -0.505 5.573 -13.799 1.00 0.00 C ATOM 1559 OG SER B 230 -0.513 5.176 -15.171 1.00 0.00 O ATOM 0 H SER B 230 -0.941 6.045 -11.393 1.00 0.00 H new ATOM 0 HA SER B 230 -2.621 5.953 -13.728 1.00 0.00 H new ATOM 0 HB2 SER B 230 -0.191 6.614 -13.727 1.00 0.00 H new ATOM 0 HB3 SER B 230 0.231 4.980 -13.256 1.00 0.00 H new ATOM 0 HG SER B 230 0.381 5.299 -15.552 1.00 0.00 H new ATOM 1565 N ARG B 231 -2.310 3.334 -11.905 1.00 0.00 N ATOM 1566 CA ARG B 231 -2.710 1.935 -11.775 1.00 0.00 C ATOM 1567 C ARG B 231 -4.221 1.799 -11.721 1.00 0.00 C ATOM 1568 O ARG B 231 -4.751 0.693 -11.714 1.00 0.00 O ATOM 1569 CB ARG B 231 -2.086 1.294 -10.540 1.00 0.00 C ATOM 1570 CG ARG B 231 -0.567 1.357 -10.484 1.00 0.00 C ATOM 1571 CD ARG B 231 0.136 0.510 -11.561 1.00 0.00 C ATOM 1572 NE ARG B 231 -0.088 0.997 -12.935 1.00 0.00 N ATOM 1573 CZ ARG B 231 0.683 1.906 -13.555 1.00 0.00 C ATOM 1574 NH1 ARG B 231 1.661 2.528 -12.892 1.00 0.00 N ATOM 1575 NH2 ARG B 231 0.451 2.220 -14.821 1.00 0.00 N ATOM 0 H ARG B 231 -2.025 3.782 -11.034 1.00 0.00 H new ATOM 0 HA ARG B 231 -2.345 1.412 -12.659 1.00 0.00 H new ATOM 0 HB2 ARG B 231 -2.488 1.782 -9.652 1.00 0.00 H new ATOM 0 HB3 ARG B 231 -2.394 0.249 -10.496 1.00 0.00 H new ATOM 0 HG2 ARG B 231 -0.253 2.395 -10.591 1.00 0.00 H new ATOM 0 HG3 ARG B 231 -0.236 1.023 -9.501 1.00 0.00 H new ATOM 0 HD2 ARG B 231 1.207 0.497 -11.359 1.00 0.00 H new ATOM 0 HD3 ARG B 231 -0.215 -0.519 -11.488 1.00 0.00 H new ATOM 0 HE ARG B 231 -0.883 0.618 -13.450 1.00 0.00 H new ATOM 0 HH11 ARG B 231 1.827 2.314 -11.909 1.00 0.00 H new ATOM 0 HH12 ARG B 231 2.242 3.217 -13.369 1.00 0.00 H new ATOM 0 HH21 ARG B 231 -0.313 1.772 -15.326 1.00 0.00 H new ATOM 0 HH22 ARG B 231 1.037 2.910 -15.291 1.00 0.00 H new ATOM 1589 N TRP B 232 -4.896 2.922 -11.690 1.00 0.00 N ATOM 1590 CA TRP B 232 -6.329 2.949 -11.597 1.00 0.00 C ATOM 1591 C TRP B 232 -6.983 2.488 -12.873 1.00 0.00 C ATOM 1592 O TRP B 232 -6.670 2.939 -13.988 1.00 0.00 O ATOM 1593 CB TRP B 232 -6.851 4.338 -11.166 1.00 0.00 C ATOM 1594 CG TRP B 232 -8.336 4.389 -10.861 1.00 0.00 C ATOM 1595 CD1 TRP B 232 -9.072 3.460 -10.177 1.00 0.00 C ATOM 1596 CD2 TRP B 232 -9.250 5.447 -11.184 1.00 0.00 C ATOM 1597 NE1 TRP B 232 -10.377 3.854 -10.098 1.00 0.00 N ATOM 1598 CE2 TRP B 232 -10.514 5.071 -10.684 1.00 0.00 C ATOM 1599 CE3 TRP B 232 -9.129 6.667 -11.849 1.00 0.00 C ATOM 1600 CZ2 TRP B 232 -11.638 5.866 -10.824 1.00 0.00 C ATOM 1601 CZ3 TRP B 232 -10.251 7.461 -11.987 1.00 0.00 C ATOM 1602 CH2 TRP B 232 -11.490 7.058 -11.476 1.00 0.00 C ATOM 0 H TRP B 232 -4.462 3.844 -11.729 1.00 0.00 H new ATOM 0 HA TRP B 232 -6.607 2.241 -10.816 1.00 0.00 H new ATOM 0 HB2 TRP B 232 -6.301 4.660 -10.282 1.00 0.00 H new ATOM 0 HB3 TRP B 232 -6.631 5.055 -11.957 1.00 0.00 H new ATOM 0 HD1 TRP B 232 -8.677 2.546 -9.759 1.00 0.00 H new ATOM 0 HE1 TRP B 232 -11.130 3.318 -9.667 1.00 0.00 H new ATOM 0 HE3 TRP B 232 -8.177 6.985 -12.248 1.00 0.00 H new ATOM 0 HZ2 TRP B 232 -12.596 5.556 -10.433 1.00 0.00 H new ATOM 0 HZ3 TRP B 232 -10.171 8.409 -12.498 1.00 0.00 H new ATOM 0 HH2 TRP B 232 -12.348 7.703 -11.600 1.00 0.00 H new ATOM 1613 N ASP B 233 -7.828 1.558 -12.683 1.00 0.00 N ATOM 1614 CA ASP B 233 -8.707 1.021 -13.656 1.00 0.00 C ATOM 1615 C ASP B 233 -10.023 1.353 -13.064 1.00 0.00 C ATOM 1616 O ASP B 233 -10.085 1.389 -11.868 1.00 0.00 O ATOM 1617 CB ASP B 233 -8.549 -0.505 -13.727 1.00 0.00 C ATOM 1618 CG ASP B 233 -9.425 -1.163 -14.776 1.00 0.00 C ATOM 1619 OD1 ASP B 233 -10.622 -1.380 -14.536 1.00 0.00 O ATOM 1620 OD2 ASP B 233 -8.907 -1.492 -15.864 1.00 0.00 O ATOM 0 H ASP B 233 -7.938 1.111 -11.773 1.00 0.00 H new ATOM 0 HA ASP B 233 -8.546 1.400 -14.665 1.00 0.00 H new ATOM 0 HB2 ASP B 233 -7.506 -0.744 -13.936 1.00 0.00 H new ATOM 0 HB3 ASP B 233 -8.784 -0.931 -12.752 1.00 0.00 H new ATOM 1625 N GLY B 234 -11.005 1.654 -13.878 1.00 0.00 N ATOM 1626 CA GLY B 234 -12.397 2.061 -13.506 1.00 0.00 C ATOM 1627 C GLY B 234 -13.114 1.166 -12.492 1.00 0.00 C ATOM 1628 O GLY B 234 -14.179 0.619 -12.739 1.00 0.00 O ATOM 0 H GLY B 234 -10.876 1.629 -14.890 1.00 0.00 H new ATOM 0 HA2 GLY B 234 -12.362 3.074 -13.105 1.00 0.00 H new ATOM 0 HA3 GLY B 234 -12.998 2.099 -14.415 1.00 0.00 H new ATOM 1714 N GLY B 240 -18.844 3.684 3.351 1.00 0.00 N ATOM 1715 CA GLY B 240 -19.584 4.738 3.991 1.00 0.00 C ATOM 1716 C GLY B 240 -20.821 5.094 3.217 1.00 0.00 C ATOM 1717 O GLY B 240 -21.464 6.070 3.494 1.00 0.00 O ATOM 0 HA2 GLY B 240 -19.861 4.429 4.999 1.00 0.00 H new ATOM 0 HA3 GLY B 240 -18.950 5.619 4.091 1.00 0.00 H new ATOM 1721 N PHE B 241 -21.135 4.298 2.237 1.00 0.00 N ATOM 1722 CA PHE B 241 -22.311 4.521 1.410 1.00 0.00 C ATOM 1723 C PHE B 241 -23.581 4.112 2.155 1.00 0.00 C ATOM 1724 O PHE B 241 -24.631 4.736 2.004 1.00 0.00 O ATOM 1725 CB PHE B 241 -22.187 3.794 0.052 1.00 0.00 C ATOM 1726 CG PHE B 241 -21.976 2.298 0.148 1.00 0.00 C ATOM 1727 CD1 PHE B 241 -20.710 1.773 0.327 1.00 0.00 C ATOM 1728 CD2 PHE B 241 -23.046 1.425 0.058 1.00 0.00 C ATOM 1729 CE1 PHE B 241 -20.515 0.412 0.415 1.00 0.00 C ATOM 1730 CE2 PHE B 241 -22.856 0.063 0.145 1.00 0.00 C ATOM 1731 CZ PHE B 241 -21.588 -0.442 0.323 1.00 0.00 C ATOM 0 H PHE B 241 -20.592 3.474 1.979 1.00 0.00 H new ATOM 0 HA PHE B 241 -22.380 5.588 1.198 1.00 0.00 H new ATOM 0 HB2 PHE B 241 -23.090 3.983 -0.529 1.00 0.00 H new ATOM 0 HB3 PHE B 241 -21.355 4.229 -0.502 1.00 0.00 H new ATOM 0 HD1 PHE B 241 -19.862 2.438 0.399 1.00 0.00 H new ATOM 0 HD2 PHE B 241 -24.043 1.816 -0.082 1.00 0.00 H new ATOM 0 HE1 PHE B 241 -19.520 0.017 0.556 1.00 0.00 H new ATOM 0 HE2 PHE B 241 -23.700 -0.607 0.074 1.00 0.00 H new ATOM 0 HZ PHE B 241 -21.436 -1.509 0.390 1.00 0.00 H new ATOM 1741 N GLU B 242 -23.464 3.077 2.988 1.00 0.00 N ATOM 1742 CA GLU B 242 -24.596 2.551 3.740 1.00 0.00 C ATOM 1743 C GLU B 242 -25.174 3.605 4.666 1.00 0.00 C ATOM 1744 O GLU B 242 -26.388 3.783 4.726 1.00 0.00 O ATOM 1745 CB GLU B 242 -24.200 1.310 4.532 1.00 0.00 C ATOM 1746 CG GLU B 242 -23.794 0.120 3.688 1.00 0.00 C ATOM 1747 CD GLU B 242 -23.328 -1.035 4.532 1.00 0.00 C ATOM 1748 OE1 GLU B 242 -24.175 -1.788 5.052 1.00 0.00 O ATOM 1749 OE2 GLU B 242 -22.111 -1.203 4.715 1.00 0.00 O ATOM 0 H GLU B 242 -22.587 2.585 3.157 1.00 0.00 H new ATOM 0 HA GLU B 242 -25.364 2.268 3.021 1.00 0.00 H new ATOM 0 HB2 GLU B 242 -23.373 1.567 5.194 1.00 0.00 H new ATOM 0 HB3 GLU B 242 -25.037 1.019 5.166 1.00 0.00 H new ATOM 0 HG2 GLU B 242 -24.639 -0.196 3.076 1.00 0.00 H new ATOM 0 HG3 GLU B 242 -22.998 0.415 3.005 1.00 0.00 H new ATOM 1756 N GLU B 243 -24.296 4.330 5.350 1.00 0.00 N ATOM 1757 CA GLU B 243 -24.722 5.384 6.258 1.00 0.00 C ATOM 1758 C GLU B 243 -25.468 6.479 5.520 1.00 0.00 C ATOM 1759 O GLU B 243 -26.371 7.069 6.059 1.00 0.00 O ATOM 1760 CB GLU B 243 -23.567 5.988 7.046 1.00 0.00 C ATOM 1761 CG GLU B 243 -22.498 6.625 6.192 1.00 0.00 C ATOM 1762 CD GLU B 243 -21.486 7.362 7.002 1.00 0.00 C ATOM 1763 OE1 GLU B 243 -20.662 6.716 7.682 1.00 0.00 O ATOM 1764 OE2 GLU B 243 -21.506 8.608 7.014 1.00 0.00 O ATOM 0 H GLU B 243 -23.285 4.206 5.292 1.00 0.00 H new ATOM 0 HA GLU B 243 -25.395 4.910 6.972 1.00 0.00 H new ATOM 0 HB2 GLU B 243 -23.963 6.738 7.731 1.00 0.00 H new ATOM 0 HB3 GLU B 243 -23.111 5.208 7.656 1.00 0.00 H new ATOM 0 HG2 GLU B 243 -21.998 5.854 5.606 1.00 0.00 H new ATOM 0 HG3 GLU B 243 -22.963 7.312 5.485 1.00 0.00 H new ATOM 1771 N LYS B 244 -25.060 6.747 4.291 1.00 0.00 N ATOM 1772 CA LYS B 244 -25.668 7.779 3.470 1.00 0.00 C ATOM 1773 C LYS B 244 -27.099 7.413 3.166 1.00 0.00 C ATOM 1774 O LYS B 244 -28.011 8.240 3.298 1.00 0.00 O ATOM 1775 CB LYS B 244 -24.880 7.917 2.181 1.00 0.00 C ATOM 1776 CG LYS B 244 -23.404 8.136 2.419 1.00 0.00 C ATOM 1777 CD LYS B 244 -23.108 9.509 2.954 1.00 0.00 C ATOM 1778 CE LYS B 244 -21.631 9.676 3.230 1.00 0.00 C ATOM 1779 NZ LYS B 244 -21.321 11.023 3.740 1.00 0.00 N ATOM 0 H LYS B 244 -24.294 6.252 3.833 1.00 0.00 H new ATOM 0 HA LYS B 244 -25.656 8.729 4.005 1.00 0.00 H new ATOM 0 HB2 LYS B 244 -25.017 7.019 1.579 1.00 0.00 H new ATOM 0 HB3 LYS B 244 -25.278 8.752 1.604 1.00 0.00 H new ATOM 0 HG2 LYS B 244 -23.037 7.388 3.122 1.00 0.00 H new ATOM 0 HG3 LYS B 244 -22.862 7.988 1.485 1.00 0.00 H new ATOM 0 HD2 LYS B 244 -23.435 10.261 2.236 1.00 0.00 H new ATOM 0 HD3 LYS B 244 -23.674 9.676 3.870 1.00 0.00 H new ATOM 0 HE2 LYS B 244 -21.310 8.929 3.956 1.00 0.00 H new ATOM 0 HE3 LYS B 244 -21.067 9.495 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS B 244 -20.299 11.100 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS B 244 -21.605 11.734 3.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 244 -21.840 11.187 4.626 1.00 0.00 H new ATOM 1793 N TRP B 245 -27.296 6.168 2.793 1.00 0.00 N ATOM 1794 CA TRP B 245 -28.616 5.657 2.498 1.00 0.00 C ATOM 1795 C TRP B 245 -29.442 5.649 3.764 1.00 0.00 C ATOM 1796 O TRP B 245 -30.581 6.087 3.772 1.00 0.00 O ATOM 1797 CB TRP B 245 -28.552 4.248 1.898 1.00 0.00 C ATOM 1798 CG TRP B 245 -27.749 4.152 0.632 1.00 0.00 C ATOM 1799 CD1 TRP B 245 -27.350 5.180 -0.174 1.00 0.00 C ATOM 1800 CD2 TRP B 245 -27.266 2.959 0.017 1.00 0.00 C ATOM 1801 NE1 TRP B 245 -26.635 4.700 -1.228 1.00 0.00 N ATOM 1802 CE2 TRP B 245 -26.573 3.340 -1.143 1.00 0.00 C ATOM 1803 CE3 TRP B 245 -27.349 1.606 0.339 1.00 0.00 C ATOM 1804 CZ2 TRP B 245 -25.964 2.417 -1.982 1.00 0.00 C ATOM 1805 CZ3 TRP B 245 -26.747 0.687 -0.493 1.00 0.00 C ATOM 1806 CH2 TRP B 245 -26.062 1.096 -1.641 1.00 0.00 C ATOM 0 H TRP B 245 -26.548 5.483 2.686 1.00 0.00 H new ATOM 0 HA TRP B 245 -29.081 6.308 1.757 1.00 0.00 H new ATOM 0 HB2 TRP B 245 -28.126 3.570 2.637 1.00 0.00 H new ATOM 0 HB3 TRP B 245 -29.567 3.904 1.698 1.00 0.00 H new ATOM 0 HD1 TRP B 245 -27.570 6.223 -0.000 1.00 0.00 H new ATOM 0 HE1 TRP B 245 -26.213 5.267 -1.964 1.00 0.00 H new ATOM 0 HE3 TRP B 245 -27.876 1.283 1.225 1.00 0.00 H new ATOM 0 HZ2 TRP B 245 -25.434 2.730 -2.869 1.00 0.00 H new ATOM 0 HZ3 TRP B 245 -26.805 -0.365 -0.255 1.00 0.00 H new ATOM 0 HH2 TRP B 245 -25.600 0.352 -2.273 1.00 0.00 H new ATOM 1817 N PHE B 246 -28.822 5.229 4.846 1.00 0.00 N ATOM 1818 CA PHE B 246 -29.452 5.159 6.144 1.00 0.00 C ATOM 1819 C PHE B 246 -29.849 6.549 6.643 1.00 0.00 C ATOM 1820 O PHE B 246 -30.894 6.729 7.254 1.00 0.00 O ATOM 1821 CB PHE B 246 -28.511 4.434 7.122 1.00 0.00 C ATOM 1822 CG PHE B 246 -28.709 4.759 8.569 1.00 0.00 C ATOM 1823 CD1 PHE B 246 -29.665 4.121 9.334 1.00 0.00 C ATOM 1824 CD2 PHE B 246 -27.914 5.721 9.156 1.00 0.00 C ATOM 1825 CE1 PHE B 246 -29.825 4.444 10.669 1.00 0.00 C ATOM 1826 CE2 PHE B 246 -28.063 6.053 10.480 1.00 0.00 C ATOM 1827 CZ PHE B 246 -29.021 5.414 11.244 1.00 0.00 C ATOM 0 H PHE B 246 -27.849 4.922 4.847 1.00 0.00 H new ATOM 0 HA PHE B 246 -30.378 4.588 6.070 1.00 0.00 H new ATOM 0 HB2 PHE B 246 -28.635 3.359 6.989 1.00 0.00 H new ATOM 0 HB3 PHE B 246 -27.482 4.672 6.852 1.00 0.00 H new ATOM 0 HD1 PHE B 246 -30.292 3.364 8.887 1.00 0.00 H new ATOM 0 HD2 PHE B 246 -27.162 6.222 8.564 1.00 0.00 H new ATOM 0 HE1 PHE B 246 -30.575 3.941 11.262 1.00 0.00 H new ATOM 0 HE2 PHE B 246 -27.434 6.811 10.923 1.00 0.00 H new ATOM 0 HZ PHE B 246 -29.142 5.670 12.286 1.00 0.00 H new ATOM 1837 N ALA B 247 -29.033 7.509 6.358 1.00 0.00 N ATOM 1838 CA ALA B 247 -29.269 8.859 6.775 1.00 0.00 C ATOM 1839 C ALA B 247 -30.435 9.486 6.020 1.00 0.00 C ATOM 1840 O ALA B 247 -31.171 10.276 6.571 1.00 0.00 O ATOM 1841 CB ALA B 247 -28.006 9.669 6.601 1.00 0.00 C ATOM 0 H ALA B 247 -28.174 7.381 5.824 1.00 0.00 H new ATOM 0 HA ALA B 247 -29.545 8.853 7.830 1.00 0.00 H new ATOM 0 HB1 ALA B 247 -28.186 10.696 6.918 1.00 0.00 H new ATOM 0 HB2 ALA B 247 -27.210 9.236 7.207 1.00 0.00 H new ATOM 0 HB3 ALA B 247 -27.710 9.660 5.552 1.00 0.00 H new ATOM 1847 N LYS B 248 -30.630 9.100 4.773 1.00 0.00 N ATOM 1848 CA LYS B 248 -31.695 9.699 3.974 1.00 0.00 C ATOM 1849 C LYS B 248 -32.982 8.908 4.032 1.00 0.00 C ATOM 1850 O LYS B 248 -34.058 9.443 3.774 1.00 0.00 O ATOM 1851 CB LYS B 248 -31.240 9.949 2.531 1.00 0.00 C ATOM 1852 CG LYS B 248 -30.817 8.718 1.727 1.00 0.00 C ATOM 1853 CD LYS B 248 -31.997 7.945 1.156 1.00 0.00 C ATOM 1854 CE LYS B 248 -31.558 6.808 0.250 1.00 0.00 C ATOM 1855 NZ LYS B 248 -30.876 7.295 -0.967 1.00 0.00 N ATOM 0 H LYS B 248 -30.079 8.388 4.294 1.00 0.00 H new ATOM 0 HA LYS B 248 -31.915 10.668 4.421 1.00 0.00 H new ATOM 0 HB2 LYS B 248 -32.052 10.443 1.998 1.00 0.00 H new ATOM 0 HB3 LYS B 248 -30.403 10.647 2.553 1.00 0.00 H new ATOM 0 HG2 LYS B 248 -30.166 9.030 0.911 1.00 0.00 H new ATOM 0 HG3 LYS B 248 -30.232 8.057 2.366 1.00 0.00 H new ATOM 0 HD2 LYS B 248 -32.596 7.544 1.974 1.00 0.00 H new ATOM 0 HD3 LYS B 248 -32.638 8.626 0.596 1.00 0.00 H new ATOM 0 HE2 LYS B 248 -30.889 6.146 0.799 1.00 0.00 H new ATOM 0 HE3 LYS B 248 -32.428 6.216 -0.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 248 -30.806 6.522 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS B 248 -31.419 8.080 -1.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 248 -29.921 7.626 -0.721 1.00 0.00 H new ATOM 1869 N GLN B 249 -32.872 7.645 4.414 1.00 0.00 N ATOM 1870 CA GLN B 249 -34.016 6.725 4.483 1.00 0.00 C ATOM 1871 C GLN B 249 -34.890 7.045 5.680 1.00 0.00 C ATOM 1872 O GLN B 249 -35.864 6.353 5.954 1.00 0.00 O ATOM 1873 CB GLN B 249 -33.545 5.269 4.533 1.00 0.00 C ATOM 1874 CG GLN B 249 -32.902 4.847 5.838 1.00 0.00 C ATOM 1875 CD GLN B 249 -32.291 3.456 5.790 1.00 0.00 C ATOM 1876 OE1 GLN B 249 -31.795 3.063 4.646 1.00 0.00 O flip ATOM 1877 NE2 GLN B 249 -32.237 2.750 6.800 1.00 0.00 N flip ATOM 0 H GLN B 249 -31.986 7.220 4.688 1.00 0.00 H new ATOM 0 HA GLN B 249 -34.610 6.858 3.579 1.00 0.00 H new ATOM 0 HB2 GLN B 249 -34.399 4.620 4.340 1.00 0.00 H new ATOM 0 HB3 GLN B 249 -32.832 5.106 3.725 1.00 0.00 H new ATOM 0 HG2 GLN B 249 -32.127 5.567 6.102 1.00 0.00 H new ATOM 0 HG3 GLN B 249 -33.650 4.880 6.630 1.00 0.00 H new ATOM 0 HE21 GLN B 249 -32.633 3.085 7.678 1.00 0.00 H new ATOM 0 HE22 GLN B 249 -31.796 1.831 6.757 1.00 0.00 H new ATOM 1886 N ASN B 250 -34.512 8.096 6.389 1.00 0.00 N ATOM 1887 CA ASN B 250 -35.246 8.574 7.555 1.00 0.00 C ATOM 1888 C ASN B 250 -36.687 8.911 7.175 1.00 0.00 C ATOM 1889 O ASN B 250 -37.610 8.766 7.979 1.00 0.00 O ATOM 1890 CB ASN B 250 -34.569 9.799 8.205 1.00 0.00 C ATOM 1891 CG ASN B 250 -34.641 11.062 7.375 1.00 0.00 C ATOM 1892 OD1 ASN B 250 -35.566 11.852 7.492 1.00 0.00 O ATOM 1893 ND2 ASN B 250 -33.662 11.277 6.574 1.00 0.00 N ATOM 0 H ASN B 250 -33.682 8.647 6.172 1.00 0.00 H new ATOM 0 HA ASN B 250 -35.245 7.769 8.290 1.00 0.00 H new ATOM 0 HB2 ASN B 250 -35.035 9.987 9.172 1.00 0.00 H new ATOM 0 HB3 ASN B 250 -33.522 9.563 8.396 1.00 0.00 H new ATOM 0 HD21 ASN B 250 -33.641 12.128 6.012 1.00 0.00 H new ATOM 0 HD22 ASN B 250 -32.905 10.597 6.500 1.00 0.00 H new ATOM 1900 N GLU B 251 -36.866 9.330 5.940 1.00 0.00 N ATOM 1901 CA GLU B 251 -38.164 9.673 5.428 1.00 0.00 C ATOM 1902 C GLU B 251 -38.884 8.417 4.928 1.00 0.00 C ATOM 1903 O GLU B 251 -38.386 7.696 4.054 1.00 0.00 O ATOM 1904 CB GLU B 251 -38.048 10.749 4.342 1.00 0.00 C ATOM 1905 CG GLU B 251 -37.368 12.006 4.860 1.00 0.00 C ATOM 1906 CD GLU B 251 -37.366 13.161 3.899 1.00 0.00 C ATOM 1907 OE1 GLU B 251 -38.296 13.985 3.953 1.00 0.00 O ATOM 1908 OE2 GLU B 251 -36.400 13.315 3.130 1.00 0.00 O ATOM 0 H GLU B 251 -36.109 9.441 5.265 1.00 0.00 H new ATOM 0 HA GLU B 251 -38.767 10.096 6.232 1.00 0.00 H new ATOM 0 HB2 GLU B 251 -37.484 10.353 3.497 1.00 0.00 H new ATOM 0 HB3 GLU B 251 -39.042 11.000 3.972 1.00 0.00 H new ATOM 0 HG2 GLU B 251 -37.863 12.317 5.780 1.00 0.00 H new ATOM 0 HG3 GLU B 251 -36.337 11.765 5.119 1.00 0.00 H new ATOM 1915 N ILE B 252 -40.037 8.149 5.510 1.00 0.00 N ATOM 1916 CA ILE B 252 -40.802 6.950 5.212 1.00 0.00 C ATOM 1917 C ILE B 252 -41.964 7.241 4.275 1.00 0.00 C ATOM 1918 O ILE B 252 -42.407 6.369 3.513 1.00 0.00 O ATOM 1919 CB ILE B 252 -41.347 6.286 6.502 1.00 0.00 C ATOM 1920 CG1 ILE B 252 -42.215 7.276 7.304 1.00 0.00 C ATOM 1921 CG2 ILE B 252 -40.194 5.777 7.351 1.00 0.00 C ATOM 1922 CD1 ILE B 252 -42.878 6.680 8.526 1.00 0.00 C ATOM 0 H ILE B 252 -40.472 8.757 6.204 1.00 0.00 H new ATOM 0 HA ILE B 252 -40.114 6.263 4.720 1.00 0.00 H new ATOM 0 HB ILE B 252 -41.975 5.442 6.219 1.00 0.00 H new ATOM 0 HG12 ILE B 252 -41.593 8.115 7.616 1.00 0.00 H new ATOM 0 HG13 ILE B 252 -42.986 7.678 6.647 1.00 0.00 H new ATOM 0 HG21 ILE B 252 -40.586 5.312 8.256 1.00 0.00 H new ATOM 0 HG22 ILE B 252 -39.621 5.043 6.784 1.00 0.00 H new ATOM 0 HG23 ILE B 252 -39.547 6.611 7.623 1.00 0.00 H new ATOM 0 HD11 ILE B 252 -43.468 7.446 9.030 1.00 0.00 H new ATOM 0 HD12 ILE B 252 -43.530 5.860 8.223 1.00 0.00 H new ATOM 0 HD13 ILE B 252 -42.115 6.304 9.207 1.00 0.00 H new ATOM 1934 N ASN B 253 -42.472 8.444 4.331 1.00 0.00 N ATOM 1935 CA ASN B 253 -43.601 8.803 3.494 1.00 0.00 C ATOM 1936 C ASN B 253 -43.153 9.729 2.385 1.00 0.00 C ATOM 1937 O ASN B 253 -43.737 9.761 1.288 1.00 0.00 O ATOM 1938 CB ASN B 253 -44.749 9.432 4.316 1.00 0.00 C ATOM 1939 CG ASN B 253 -44.457 10.828 4.857 1.00 0.00 C ATOM 1940 OD1 ASN B 253 -44.693 11.824 4.180 1.00 0.00 O ATOM 1941 ND2 ASN B 253 -43.980 10.916 6.072 1.00 0.00 N ATOM 0 H ASN B 253 -42.131 9.189 4.938 1.00 0.00 H new ATOM 0 HA ASN B 253 -43.994 7.889 3.049 1.00 0.00 H new ATOM 0 HB2 ASN B 253 -45.641 9.479 3.691 1.00 0.00 H new ATOM 0 HB3 ASN B 253 -44.980 8.774 5.154 1.00 0.00 H new ATOM 0 HD21 ASN B 253 -43.794 11.831 6.482 1.00 0.00 H new ATOM 0 HD22 ASN B 253 -43.794 10.069 6.610 1.00 0.00 H new ATOM 1948 N GLU B 254 -42.105 10.438 2.647 1.00 0.00 N ATOM 1949 CA GLU B 254 -41.563 11.360 1.703 1.00 0.00 C ATOM 1950 C GLU B 254 -40.508 10.636 0.860 1.00 0.00 C ATOM 1951 O GLU B 254 -40.216 9.454 1.100 1.00 0.00 O ATOM 1952 CB GLU B 254 -40.966 12.539 2.465 1.00 0.00 C ATOM 1953 CG GLU B 254 -41.385 13.909 1.955 1.00 0.00 C ATOM 1954 CD GLU B 254 -40.849 14.225 0.584 1.00 0.00 C ATOM 1955 OE1 GLU B 254 -41.411 13.742 -0.425 1.00 0.00 O ATOM 1956 OE2 GLU B 254 -39.837 14.931 0.487 1.00 0.00 O ATOM 0 H GLU B 254 -41.596 10.394 3.530 1.00 0.00 H new ATOM 0 HA GLU B 254 -42.332 11.740 1.031 1.00 0.00 H new ATOM 0 HB2 GLU B 254 -41.249 12.456 3.514 1.00 0.00 H new ATOM 0 HB3 GLU B 254 -39.879 12.468 2.422 1.00 0.00 H new ATOM 0 HG2 GLU B 254 -42.473 13.963 1.933 1.00 0.00 H new ATOM 0 HG3 GLU B 254 -41.042 14.670 2.656 1.00 0.00 H new