USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.15) USER MOD Single : A 22 SER OG : rot 171:sc= -1.4 USER MOD Single : A 28 ASN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 34 THR OG1 : rot -143:sc= -1.06 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 150:sc= -0.705 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.085) USER MOD Single : A 48 CYS SG : rot 180:sc= -1.58 USER MOD Single : A 61 THR OG1 : rot -170:sc= 0 USER MOD Single : A 63 SER OG : rot -48:sc= 0.473 USER MOD Single : A 64 MET CE :methyl -108:sc= -7.91! (180deg=-9.55!) USER MOD Single : A 65 THR OG1 : rot -65:sc= 0.182 USER MOD Single : A 66 HIS : no HD1:sc= -6.31! C(o=-6.3!,f=-8.5!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.39 F(o=-3.3!,f=-1.4) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0735 X(o=-0.073,f=0) USER MOD Single : A 81 CYS SG : rot 180:sc= -2.59! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.810 2.841 -3.388 1.00 0.00 N ATOM 60 CA GLY A 7 -14.180 1.984 -4.375 1.00 0.00 C ATOM 61 C GLY A 7 -13.225 0.985 -3.752 1.00 0.00 C ATOM 62 O GLY A 7 -12.048 1.282 -3.553 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.950 1.448 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.639 2.600 -5.093 1.00 0.00 H new ATOM 66 N ASN A 8 -13.734 -0.202 -3.440 1.00 0.00 N ATOM 67 CA ASN A 8 -12.919 -1.248 -2.832 1.00 0.00 C ATOM 68 C ASN A 8 -11.993 -1.885 -3.865 1.00 0.00 C ATOM 69 O ASN A 8 -12.398 -2.152 -4.996 1.00 0.00 O ATOM 70 CB ASN A 8 -13.812 -2.319 -2.202 1.00 0.00 C ATOM 71 CG ASN A 8 -14.292 -3.341 -3.215 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.373 -3.203 -3.787 1.00 0.00 O ATOM 73 ND2 ASN A 8 -13.487 -4.373 -3.440 1.00 0.00 N ATOM 0 H ASN A 8 -14.707 -0.464 -3.598 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.308 -0.791 -2.054 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.262 -2.827 -1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.674 -1.841 -1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.756 -5.093 -4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.600 -4.446 -2.942 1.00 0.00 H new ATOM 80 N VAL A 9 -10.748 -2.126 -3.466 1.00 0.00 N ATOM 81 CA VAL A 9 -9.765 -2.733 -4.355 1.00 0.00 C ATOM 82 C VAL A 9 -8.828 -3.659 -3.588 1.00 0.00 C ATOM 83 O VAL A 9 -8.030 -3.209 -2.765 1.00 0.00 O ATOM 84 CB VAL A 9 -8.930 -1.663 -5.083 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.803 -2.311 -5.873 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.815 -0.824 -5.992 1.00 0.00 C ATOM 0 H VAL A 9 -10.397 -1.910 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.320 -3.313 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.486 -1.004 -4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.224 -1.539 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.154 -2.864 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.222 -2.994 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.208 -0.073 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.289 -1.467 -6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.583 -0.329 -5.397 1.00 0.00 H new ATOM 96 N VAL A 10 -8.929 -4.955 -3.863 1.00 0.00 N ATOM 97 CA VAL A 10 -8.089 -5.945 -3.200 1.00 0.00 C ATOM 98 C VAL A 10 -7.212 -6.683 -4.205 1.00 0.00 C ATOM 99 O VAL A 10 -7.690 -7.533 -4.957 1.00 0.00 O ATOM 100 CB VAL A 10 -8.937 -6.971 -2.424 1.00 0.00 C ATOM 101 CG1 VAL A 10 -8.081 -7.712 -1.409 1.00 0.00 C ATOM 102 CG2 VAL A 10 -10.112 -6.286 -1.744 1.00 0.00 C ATOM 0 H VAL A 10 -9.584 -5.344 -4.541 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.455 -5.403 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.332 -7.700 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.697 -8.432 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.277 -8.236 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.655 -6.999 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.700 -7.026 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.741 -5.534 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.738 -5.806 -2.496 1.00 0.00 H new ATOM 112 N LEU A 11 -5.925 -6.354 -4.212 1.00 0.00 N ATOM 113 CA LEU A 11 -4.978 -6.986 -5.125 1.00 0.00 C ATOM 114 C LEU A 11 -4.510 -8.330 -4.578 1.00 0.00 C ATOM 115 O LEU A 11 -4.150 -8.461 -3.408 1.00 0.00 O ATOM 116 CB LEU A 11 -3.776 -6.070 -5.358 1.00 0.00 C ATOM 117 CG LEU A 11 -4.094 -4.597 -5.618 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.818 -3.770 -5.638 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.855 -4.439 -6.927 1.00 0.00 C ATOM 0 H LEU A 11 -5.513 -5.653 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.485 -7.158 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.124 -6.132 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.211 -6.454 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.725 -4.233 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.065 -2.725 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.313 -3.858 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.161 -4.134 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.073 -3.385 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.249 -4.821 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.789 -4.999 -6.875 1.00 0.00 H new ATOM 131 N PRO A 12 -4.511 -9.354 -5.444 1.00 0.00 N ATOM 132 CA PRO A 12 -4.086 -10.707 -5.071 1.00 0.00 C ATOM 133 C PRO A 12 -2.584 -10.794 -4.819 1.00 0.00 C ATOM 134 O PRO A 12 -1.779 -10.527 -5.710 1.00 0.00 O ATOM 135 CB PRO A 12 -4.473 -11.549 -6.290 1.00 0.00 C ATOM 136 CG PRO A 12 -4.481 -10.588 -7.428 1.00 0.00 C ATOM 137 CD PRO A 12 -4.926 -9.271 -6.854 1.00 0.00 C ATOM 0 HA PRO A 12 -4.550 -11.038 -4.142 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.758 -12.355 -6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.450 -12.013 -6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.490 -10.504 -7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.159 -10.920 -8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.453 -8.431 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.003 -9.135 -6.948 1.00 0.00 H new ATOM 145 N GLY A 13 -2.214 -11.170 -3.599 1.00 0.00 N ATOM 146 CA GLY A 13 -0.810 -11.285 -3.252 1.00 0.00 C ATOM 147 C GLY A 13 -0.384 -12.723 -3.030 1.00 0.00 C ATOM 148 O GLY A 13 -0.960 -13.657 -3.589 1.00 0.00 O ATOM 0 H GLY A 13 -2.862 -11.397 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.205 -10.849 -4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.614 -10.707 -2.349 1.00 0.00 H new ATOM 152 N PRO A 14 0.650 -12.916 -2.199 1.00 0.00 N ATOM 153 CA PRO A 14 1.344 -11.813 -1.528 1.00 0.00 C ATOM 154 C PRO A 14 2.158 -10.964 -2.500 1.00 0.00 C ATOM 155 O PRO A 14 2.212 -11.253 -3.695 1.00 0.00 O ATOM 156 CB PRO A 14 2.268 -12.525 -0.537 1.00 0.00 C ATOM 157 CG PRO A 14 2.495 -13.872 -1.131 1.00 0.00 C ATOM 158 CD PRO A 14 1.222 -14.228 -1.849 1.00 0.00 C ATOM 0 HA PRO A 14 0.647 -11.119 -1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.206 -11.984 -0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.809 -12.599 0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.340 -13.858 -1.819 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.725 -14.605 -0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.416 -14.831 -2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.549 -14.803 -1.213 1.00 0.00 H new ATOM 166 N ALA A 15 2.789 -9.918 -1.979 1.00 0.00 N ATOM 167 CA ALA A 15 3.602 -9.029 -2.800 1.00 0.00 C ATOM 168 C ALA A 15 4.599 -9.819 -3.642 1.00 0.00 C ATOM 169 O ALA A 15 4.808 -11.015 -3.441 1.00 0.00 O ATOM 170 CB ALA A 15 4.330 -8.020 -1.925 1.00 0.00 C ATOM 0 H ALA A 15 2.753 -9.665 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 15 2.938 -8.492 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.933 -7.363 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.602 -7.426 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.977 -8.547 -1.224 1.00 0.00 H new ATOM 176 N PRO A 16 5.229 -9.136 -4.609 1.00 0.00 N ATOM 177 CA PRO A 16 4.988 -7.711 -4.859 1.00 0.00 C ATOM 178 C PRO A 16 3.604 -7.451 -5.442 1.00 0.00 C ATOM 179 O PRO A 16 2.823 -8.380 -5.648 1.00 0.00 O ATOM 180 CB PRO A 16 6.074 -7.340 -5.872 1.00 0.00 C ATOM 181 CG PRO A 16 6.401 -8.619 -6.563 1.00 0.00 C ATOM 182 CD PRO A 16 6.226 -9.702 -5.534 1.00 0.00 C ATOM 0 HA PRO A 16 5.024 -7.124 -3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.718 -6.589 -6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.951 -6.922 -5.377 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.742 -8.781 -7.416 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.421 -8.606 -6.946 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.875 -10.631 -5.984 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.163 -9.928 -5.025 1.00 0.00 H new ATOM 190 N TRP A 17 3.307 -6.184 -5.706 1.00 0.00 N ATOM 191 CA TRP A 17 2.016 -5.803 -6.267 1.00 0.00 C ATOM 192 C TRP A 17 2.182 -5.209 -7.662 1.00 0.00 C ATOM 193 O TRP A 17 1.547 -5.655 -8.616 1.00 0.00 O ATOM 194 CB TRP A 17 1.316 -4.797 -5.351 1.00 0.00 C ATOM 195 CG TRP A 17 1.229 -5.252 -3.926 1.00 0.00 C ATOM 196 CD1 TRP A 17 1.857 -4.696 -2.848 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.473 -6.359 -3.424 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.536 -5.390 -1.707 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.688 -6.415 -2.033 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.367 -7.308 -4.014 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.094 -7.382 -1.226 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.956 -8.267 -3.212 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.724 -8.298 -1.830 1.00 0.00 C ATOM 0 H TRP A 17 3.942 -5.403 -5.541 1.00 0.00 H new ATOM 0 HA TRP A 17 1.403 -6.701 -6.346 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.851 -3.848 -5.390 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.310 -4.612 -5.728 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.510 -3.837 -2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.874 -5.177 -0.769 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.552 -7.292 -5.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.273 -7.408 -0.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.606 -9.005 -3.658 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.200 -9.060 -1.230 1.00 0.00 H new ATOM 214 N GLY A 18 3.041 -4.200 -7.772 1.00 0.00 N ATOM 215 CA GLY A 18 3.274 -3.562 -9.055 1.00 0.00 C ATOM 216 C GLY A 18 2.653 -2.182 -9.138 1.00 0.00 C ATOM 217 O GLY A 18 2.164 -1.775 -10.192 1.00 0.00 O ATOM 0 H GLY A 18 3.579 -3.813 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.347 -3.485 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.866 -4.189 -9.848 1.00 0.00 H new ATOM 221 N PHE A 19 2.671 -1.459 -8.023 1.00 0.00 N ATOM 222 CA PHE A 19 2.103 -0.117 -7.972 1.00 0.00 C ATOM 223 C PHE A 19 2.926 0.789 -7.061 1.00 0.00 C ATOM 224 O PHE A 19 3.359 0.376 -5.985 1.00 0.00 O ATOM 225 CB PHE A 19 0.654 -0.172 -7.482 1.00 0.00 C ATOM 226 CG PHE A 19 0.521 -0.046 -5.991 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.473 1.200 -5.389 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.443 -1.176 -5.192 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.350 1.319 -4.017 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.320 -1.063 -3.820 1.00 0.00 C ATOM 231 CZ PHE A 19 0.274 0.186 -3.232 1.00 0.00 C ATOM 0 H PHE A 19 3.073 -1.780 -7.142 1.00 0.00 H new ATOM 0 HA PHE A 19 2.123 0.297 -8.980 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.087 0.628 -7.958 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.206 -1.113 -7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.532 2.090 -5.998 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.479 -2.155 -5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.313 2.297 -3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.260 -1.951 -3.208 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.179 0.276 -2.160 1.00 0.00 H new ATOM 241 N ARG A 20 3.139 2.025 -7.501 1.00 0.00 N ATOM 242 CA ARG A 20 3.911 2.988 -6.727 1.00 0.00 C ATOM 243 C ARG A 20 2.991 3.954 -5.986 1.00 0.00 C ATOM 244 O ARG A 20 1.773 3.928 -6.166 1.00 0.00 O ATOM 245 CB ARG A 20 4.856 3.769 -7.642 1.00 0.00 C ATOM 246 CG ARG A 20 5.711 2.883 -8.534 1.00 0.00 C ATOM 247 CD ARG A 20 6.463 1.838 -7.725 1.00 0.00 C ATOM 248 NE ARG A 20 7.526 2.431 -6.919 1.00 0.00 N ATOM 249 CZ ARG A 20 8.592 1.759 -6.499 1.00 0.00 C ATOM 250 NH1 ARG A 20 8.736 0.478 -6.808 1.00 0.00 N ATOM 251 NH2 ARG A 20 9.518 2.369 -5.770 1.00 0.00 N ATOM 0 H ARG A 20 2.788 2.382 -8.389 1.00 0.00 H new ATOM 0 HA ARG A 20 4.499 2.437 -5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.269 4.441 -8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.509 4.392 -7.030 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.078 2.388 -9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.422 3.498 -9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.765 1.312 -7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.890 1.096 -8.399 1.00 0.00 H new ATOM 0 HE ARG A 20 7.446 3.415 -6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.027 0.006 -7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.556 -0.036 -6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.412 3.355 -5.532 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.336 1.852 -5.448 1.00 0.00 H new ATOM 265 N LEU A 21 3.581 4.803 -5.152 1.00 0.00 N ATOM 266 CA LEU A 21 2.814 5.777 -4.383 1.00 0.00 C ATOM 267 C LEU A 21 3.316 7.194 -4.643 1.00 0.00 C ATOM 268 O LEU A 21 4.449 7.390 -5.084 1.00 0.00 O ATOM 269 CB LEU A 21 2.901 5.459 -2.889 1.00 0.00 C ATOM 270 CG LEU A 21 4.163 4.727 -2.432 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.400 5.565 -2.716 1.00 0.00 C ATOM 272 CD2 LEU A 21 4.075 4.388 -0.951 1.00 0.00 C ATOM 0 H LEU A 21 4.588 4.837 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 21 1.773 5.716 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.826 6.394 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.036 4.856 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 21 4.244 3.797 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.288 5.027 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.471 5.757 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.328 6.512 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.981 3.867 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.969 5.306 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.211 3.747 -0.775 1.00 0.00 H new ATOM 284 N SER A 22 2.467 8.178 -4.366 1.00 0.00 N ATOM 285 CA SER A 22 2.824 9.576 -4.572 1.00 0.00 C ATOM 286 C SER A 22 2.260 10.451 -3.455 1.00 0.00 C ATOM 287 O SER A 22 1.205 10.157 -2.894 1.00 0.00 O ATOM 288 CB SER A 22 2.306 10.063 -5.927 1.00 0.00 C ATOM 289 OG SER A 22 3.215 10.972 -6.523 1.00 0.00 O ATOM 0 H SER A 22 1.527 8.033 -3.998 1.00 0.00 H new ATOM 0 HA SER A 22 3.911 9.653 -4.558 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.152 9.211 -6.589 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.337 10.545 -5.798 1.00 0.00 H new ATOM 0 HG SER A 22 2.937 11.156 -7.444 1.00 0.00 H new ATOM 295 N GLY A 23 2.973 11.528 -3.139 1.00 0.00 N ATOM 296 CA GLY A 23 2.529 12.429 -2.091 1.00 0.00 C ATOM 297 C GLY A 23 2.861 11.914 -0.704 1.00 0.00 C ATOM 298 O GLY A 23 3.895 11.279 -0.501 1.00 0.00 O ATOM 0 H GLY A 23 3.849 11.792 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.994 13.405 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.452 12.574 -2.173 1.00 0.00 H new ATOM 302 N GLY A 24 1.981 12.189 0.254 1.00 0.00 N ATOM 303 CA GLY A 24 2.204 11.743 1.617 1.00 0.00 C ATOM 304 C GLY A 24 1.749 12.762 2.642 1.00 0.00 C ATOM 305 O GLY A 24 2.107 13.938 2.560 1.00 0.00 O ATOM 0 H GLY A 24 1.118 12.713 0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.673 10.805 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.265 11.537 1.760 1.00 0.00 H new ATOM 309 N ILE A 25 0.956 12.313 3.609 1.00 0.00 N ATOM 310 CA ILE A 25 0.450 13.194 4.654 1.00 0.00 C ATOM 311 C ILE A 25 1.560 14.079 5.211 1.00 0.00 C ATOM 312 O ILE A 25 1.296 15.128 5.799 1.00 0.00 O ATOM 313 CB ILE A 25 -0.182 12.395 5.808 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.853 11.457 6.434 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.385 11.608 5.311 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.623 11.201 7.907 1.00 0.00 C ATOM 0 H ILE A 25 0.650 11.343 3.690 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.316 13.820 4.196 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.521 13.095 6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.839 10.506 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.847 11.883 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.821 11.048 6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.128 12.296 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.070 10.915 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.393 10.528 8.284 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.667 12.144 8.451 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.357 10.746 8.048 1.00 0.00 H new ATOM 328 N ASP A 26 2.803 13.650 5.021 1.00 0.00 N ATOM 329 CA ASP A 26 3.955 14.404 5.502 1.00 0.00 C ATOM 330 C ASP A 26 4.301 15.538 4.542 1.00 0.00 C ATOM 331 O ASP A 26 4.717 16.617 4.963 1.00 0.00 O ATOM 332 CB ASP A 26 5.161 13.480 5.675 1.00 0.00 C ATOM 333 CG ASP A 26 6.450 14.245 5.899 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.906 14.928 4.957 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.002 14.163 7.016 1.00 0.00 O ATOM 0 H ASP A 26 3.039 12.784 4.537 1.00 0.00 H new ATOM 0 HA ASP A 26 3.697 14.836 6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.986 12.814 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.264 12.852 4.790 1.00 0.00 H new ATOM 340 N PHE A 27 4.127 15.285 3.249 1.00 0.00 N ATOM 341 CA PHE A 27 4.423 16.284 2.228 1.00 0.00 C ATOM 342 C PHE A 27 3.181 17.104 1.893 1.00 0.00 C ATOM 343 O PHE A 27 3.117 17.755 0.851 1.00 0.00 O ATOM 344 CB PHE A 27 4.959 15.609 0.964 1.00 0.00 C ATOM 345 CG PHE A 27 6.260 14.888 1.174 1.00 0.00 C ATOM 346 CD1 PHE A 27 7.461 15.577 1.145 1.00 0.00 C ATOM 347 CD2 PHE A 27 6.281 13.521 1.401 1.00 0.00 C ATOM 348 CE1 PHE A 27 8.659 14.916 1.338 1.00 0.00 C ATOM 349 CE2 PHE A 27 7.476 12.855 1.594 1.00 0.00 C ATOM 350 CZ PHE A 27 8.667 13.553 1.564 1.00 0.00 C ATOM 0 H PHE A 27 3.783 14.397 2.883 1.00 0.00 H new ATOM 0 HA PHE A 27 5.185 16.956 2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.216 14.901 0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.092 16.363 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.461 16.643 0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.353 12.970 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.589 15.465 1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.479 11.789 1.768 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.602 13.035 1.717 1.00 0.00 H new ATOM 360 N ASN A 28 2.196 17.066 2.785 1.00 0.00 N ATOM 361 CA ASN A 28 0.955 17.805 2.584 1.00 0.00 C ATOM 362 C ASN A 28 0.330 17.462 1.235 1.00 0.00 C ATOM 363 O ASN A 28 -0.145 18.343 0.519 1.00 0.00 O ATOM 364 CB ASN A 28 1.213 19.310 2.672 1.00 0.00 C ATOM 365 CG ASN A 28 -0.010 20.081 3.131 1.00 0.00 C ATOM 366 OD1 ASN A 28 -0.561 20.894 2.389 1.00 0.00 O ATOM 367 ND2 ASN A 28 -0.440 19.828 4.362 1.00 0.00 N ATOM 0 H ASN A 28 2.233 16.532 3.653 1.00 0.00 H new ATOM 0 HA ASN A 28 0.258 17.517 3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.036 19.495 3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.527 19.680 1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.258 20.316 4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.048 19.146 4.942 1.00 0.00 H new ATOM 374 N GLN A 29 0.334 16.177 0.896 1.00 0.00 N ATOM 375 CA GLN A 29 -0.232 15.719 -0.367 1.00 0.00 C ATOM 376 C GLN A 29 -0.925 14.371 -0.195 1.00 0.00 C ATOM 377 O GLN A 29 -0.568 13.567 0.667 1.00 0.00 O ATOM 378 CB GLN A 29 0.861 15.612 -1.431 1.00 0.00 C ATOM 379 CG GLN A 29 1.325 16.958 -1.964 1.00 0.00 C ATOM 380 CD GLN A 29 2.380 16.825 -3.045 1.00 0.00 C ATOM 381 OE1 GLN A 29 3.479 17.366 -2.925 1.00 0.00 O ATOM 382 NE2 GLN A 29 2.050 16.103 -4.109 1.00 0.00 N ATOM 0 H GLN A 29 0.723 15.435 1.478 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.973 16.450 -0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.716 15.083 -1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.491 15.010 -2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.468 17.502 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.725 17.552 -1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.127 15.672 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.719 15.979 -4.869 1.00 0.00 H new ATOM 391 N PRO A 30 -1.940 14.116 -1.034 1.00 0.00 N ATOM 392 CA PRO A 30 -2.705 12.865 -0.994 1.00 0.00 C ATOM 393 C PRO A 30 -1.885 11.670 -1.467 1.00 0.00 C ATOM 394 O PRO A 30 -1.081 11.783 -2.394 1.00 0.00 O ATOM 395 CB PRO A 30 -3.867 13.130 -1.954 1.00 0.00 C ATOM 396 CG PRO A 30 -3.356 14.170 -2.890 1.00 0.00 C ATOM 397 CD PRO A 30 -2.420 15.028 -2.085 1.00 0.00 C ATOM 0 HA PRO A 30 -3.020 12.611 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.154 12.224 -2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.751 13.478 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.839 13.715 -3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.174 14.763 -3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.599 15.407 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.931 15.894 -1.663 1.00 0.00 H new ATOM 405 N LEU A 31 -2.093 10.525 -0.827 1.00 0.00 N ATOM 406 CA LEU A 31 -1.373 9.307 -1.183 1.00 0.00 C ATOM 407 C LEU A 31 -2.005 8.637 -2.399 1.00 0.00 C ATOM 408 O LEU A 31 -2.966 7.878 -2.273 1.00 0.00 O ATOM 409 CB LEU A 31 -1.359 8.336 -0.001 1.00 0.00 C ATOM 410 CG LEU A 31 -0.405 8.684 1.142 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.591 7.721 2.305 1.00 0.00 C ATOM 412 CD2 LEU A 31 1.037 8.666 0.658 1.00 0.00 C ATOM 0 H LEU A 31 -2.755 10.414 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.348 9.580 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.369 8.272 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.101 7.345 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.638 9.691 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.096 7.984 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.616 7.784 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.386 6.704 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.702 8.916 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.282 7.672 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.162 9.397 -0.141 1.00 0.00 H new ATOM 424 N VAL A 32 -1.457 8.921 -3.576 1.00 0.00 N ATOM 425 CA VAL A 32 -1.964 8.343 -4.815 1.00 0.00 C ATOM 426 C VAL A 32 -0.912 7.465 -5.483 1.00 0.00 C ATOM 427 O VAL A 32 0.211 7.344 -4.993 1.00 0.00 O ATOM 428 CB VAL A 32 -2.406 9.438 -5.805 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.593 10.211 -5.251 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.248 10.374 -6.115 1.00 0.00 C ATOM 0 H VAL A 32 -0.662 9.548 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.827 7.733 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.716 8.960 -6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.891 10.980 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.426 9.528 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.314 10.680 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.578 11.141 -6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.906 10.846 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.430 9.806 -6.558 1.00 0.00 H new ATOM 440 N ILE A 33 -1.284 6.854 -6.602 1.00 0.00 N ATOM 441 CA ILE A 33 -0.372 5.987 -7.338 1.00 0.00 C ATOM 442 C ILE A 33 0.512 6.795 -8.283 1.00 0.00 C ATOM 443 O ILE A 33 0.036 7.686 -8.987 1.00 0.00 O ATOM 444 CB ILE A 33 -1.136 4.925 -8.150 1.00 0.00 C ATOM 445 CG1 ILE A 33 -1.965 4.038 -7.219 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.167 4.084 -8.967 1.00 0.00 C ATOM 447 CD1 ILE A 33 -3.103 3.326 -7.917 1.00 0.00 C ATOM 0 H ILE A 33 -2.211 6.943 -7.019 1.00 0.00 H new ATOM 0 HA ILE A 33 0.253 5.486 -6.598 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.814 5.433 -8.836 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.311 3.297 -6.759 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.370 4.650 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.722 3.338 -9.535 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.384 4.727 -9.653 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.533 3.583 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.647 2.716 -7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.779 4.061 -8.353 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.704 2.687 -8.705 1.00 0.00 H new ATOM 459 N THR A 34 1.802 6.476 -8.295 1.00 0.00 N ATOM 460 CA THR A 34 2.753 7.171 -9.154 1.00 0.00 C ATOM 461 C THR A 34 3.012 6.387 -10.435 1.00 0.00 C ATOM 462 O THR A 34 3.222 6.970 -11.499 1.00 0.00 O ATOM 463 CB THR A 34 4.093 7.407 -8.432 1.00 0.00 C ATOM 464 OG1 THR A 34 4.266 6.440 -7.390 1.00 0.00 O ATOM 465 CG2 THR A 34 4.150 8.809 -7.843 1.00 0.00 C ATOM 0 H THR A 34 2.213 5.741 -7.720 1.00 0.00 H new ATOM 0 HA THR A 34 2.308 8.134 -9.404 1.00 0.00 H new ATOM 0 HB THR A 34 4.896 7.302 -9.161 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.700 6.863 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.105 8.953 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.047 9.544 -8.642 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.338 8.936 -7.127 1.00 0.00 H new ATOM 473 N ARG A 35 2.993 5.062 -10.327 1.00 0.00 N ATOM 474 CA ARG A 35 3.226 4.198 -11.478 1.00 0.00 C ATOM 475 C ARG A 35 2.499 2.867 -11.315 1.00 0.00 C ATOM 476 O ARG A 35 2.148 2.473 -10.202 1.00 0.00 O ATOM 477 CB ARG A 35 4.724 3.954 -11.665 1.00 0.00 C ATOM 478 CG ARG A 35 5.458 5.126 -12.297 1.00 0.00 C ATOM 479 CD ARG A 35 5.104 5.276 -13.769 1.00 0.00 C ATOM 480 NE ARG A 35 5.464 6.594 -14.286 1.00 0.00 N ATOM 481 CZ ARG A 35 4.960 7.107 -15.403 1.00 0.00 C ATOM 482 NH1 ARG A 35 4.079 6.417 -16.115 1.00 0.00 N ATOM 483 NH2 ARG A 35 5.336 8.313 -15.809 1.00 0.00 N ATOM 0 H ARG A 35 2.819 4.564 -9.454 1.00 0.00 H new ATOM 0 HA ARG A 35 2.834 4.700 -12.362 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.172 3.736 -10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.865 3.070 -12.287 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.206 6.044 -11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.533 4.982 -12.193 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.618 4.507 -14.346 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.035 5.113 -13.903 1.00 0.00 H new ATOM 0 HE ARG A 35 6.139 7.150 -13.761 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.787 5.490 -15.805 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.694 6.813 -16.972 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.012 8.847 -15.263 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.949 8.706 -16.667 1.00 0.00 H new ATOM 497 N ILE A 36 2.277 2.179 -12.429 1.00 0.00 N ATOM 498 CA ILE A 36 1.593 0.892 -12.409 1.00 0.00 C ATOM 499 C ILE A 36 2.197 -0.068 -13.428 1.00 0.00 C ATOM 500 O ILE A 36 2.571 0.333 -14.531 1.00 0.00 O ATOM 501 CB ILE A 36 0.088 1.049 -12.697 1.00 0.00 C ATOM 502 CG1 ILE A 36 -0.576 1.896 -11.610 1.00 0.00 C ATOM 503 CG2 ILE A 36 -0.578 -0.315 -12.794 1.00 0.00 C ATOM 504 CD1 ILE A 36 -0.616 1.221 -10.257 1.00 0.00 C ATOM 0 H ILE A 36 2.561 2.491 -13.358 1.00 0.00 H new ATOM 0 HA ILE A 36 1.722 0.482 -11.407 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.032 1.559 -13.653 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.041 2.841 -11.520 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.594 2.135 -11.918 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.641 -0.187 -12.998 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.120 -0.887 -13.601 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.451 -0.850 -11.853 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.100 1.880 -9.536 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.177 0.289 -10.332 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.401 1.007 -9.927 1.00 0.00 H new ATOM 516 N THR A 37 2.288 -1.340 -13.054 1.00 0.00 N ATOM 517 CA THR A 37 2.845 -2.359 -13.935 1.00 0.00 C ATOM 518 C THR A 37 1.823 -2.807 -14.973 1.00 0.00 C ATOM 519 O THR A 37 0.796 -3.404 -14.651 1.00 0.00 O ATOM 520 CB THR A 37 3.326 -3.588 -13.140 1.00 0.00 C ATOM 521 OG1 THR A 37 4.175 -3.174 -12.064 1.00 0.00 O ATOM 522 CG2 THR A 37 4.076 -4.556 -14.042 1.00 0.00 C ATOM 0 H THR A 37 1.983 -1.690 -12.146 1.00 0.00 H new ATOM 0 HA THR A 37 3.698 -1.907 -14.441 1.00 0.00 H new ATOM 0 HB THR A 37 2.451 -4.097 -12.736 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.475 -3.961 -11.563 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.406 -5.416 -13.459 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.417 -4.892 -14.843 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.943 -4.055 -14.472 1.00 0.00 H new ATOM 530 N PRO A 38 2.109 -2.515 -16.251 1.00 0.00 N ATOM 531 CA PRO A 38 1.227 -2.880 -17.363 1.00 0.00 C ATOM 532 C PRO A 38 1.199 -4.384 -17.611 1.00 0.00 C ATOM 533 O PRO A 38 2.170 -4.960 -18.100 1.00 0.00 O ATOM 534 CB PRO A 38 1.844 -2.152 -18.559 1.00 0.00 C ATOM 535 CG PRO A 38 3.280 -1.984 -18.200 1.00 0.00 C ATOM 536 CD PRO A 38 3.316 -1.805 -16.708 1.00 0.00 C ATOM 0 HA PRO A 38 0.190 -2.605 -17.168 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.730 -2.730 -19.476 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.363 -1.189 -18.728 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.862 -2.854 -18.503 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.710 -1.120 -18.707 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.221 -2.230 -16.274 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.293 -0.752 -16.429 1.00 0.00 H new ATOM 544 N GLY A 39 0.080 -5.016 -17.270 1.00 0.00 N ATOM 545 CA GLY A 39 -0.053 -6.448 -17.463 1.00 0.00 C ATOM 546 C GLY A 39 0.431 -7.242 -16.266 1.00 0.00 C ATOM 547 O GLY A 39 1.319 -8.085 -16.390 1.00 0.00 O ATOM 0 H GLY A 39 -0.737 -4.561 -16.863 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.098 -6.690 -17.657 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.512 -6.747 -18.346 1.00 0.00 H new ATOM 551 N SER A 40 -0.154 -6.972 -15.103 1.00 0.00 N ATOM 552 CA SER A 40 0.226 -7.664 -13.878 1.00 0.00 C ATOM 553 C SER A 40 -0.820 -7.452 -12.787 1.00 0.00 C ATOM 554 O SER A 40 -1.841 -6.801 -13.008 1.00 0.00 O ATOM 555 CB SER A 40 1.592 -7.173 -13.392 1.00 0.00 C ATOM 556 OG SER A 40 1.453 -6.081 -12.500 1.00 0.00 O ATOM 0 H SER A 40 -0.893 -6.279 -14.984 1.00 0.00 H new ATOM 0 HA SER A 40 0.287 -8.730 -14.097 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.119 -7.988 -12.895 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.200 -6.874 -14.246 1.00 0.00 H new ATOM 0 HG SER A 40 2.194 -6.086 -11.859 1.00 0.00 H new ATOM 562 N LYS A 41 -0.557 -8.007 -11.609 1.00 0.00 N ATOM 563 CA LYS A 41 -1.474 -7.880 -10.482 1.00 0.00 C ATOM 564 C LYS A 41 -1.838 -6.419 -10.240 1.00 0.00 C ATOM 565 O LYS A 41 -2.900 -6.117 -9.696 1.00 0.00 O ATOM 566 CB LYS A 41 -0.847 -8.476 -9.219 1.00 0.00 C ATOM 567 CG LYS A 41 -0.358 -9.903 -9.398 1.00 0.00 C ATOM 568 CD LYS A 41 -1.444 -10.911 -9.062 1.00 0.00 C ATOM 569 CE LYS A 41 -1.107 -12.294 -9.600 1.00 0.00 C ATOM 570 NZ LYS A 41 -0.230 -13.053 -8.666 1.00 0.00 N ATOM 0 H LYS A 41 0.284 -8.549 -11.410 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.385 -8.429 -10.722 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.010 -7.850 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.580 -8.450 -8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.030 -10.050 -10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.509 -10.074 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.573 -10.962 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.393 -10.578 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.028 -12.853 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.611 -12.197 -10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.023 -13.990 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.659 -12.533 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.713 -13.168 -7.752 1.00 0.00 H new ATOM 584 N ALA A 42 -0.952 -5.517 -10.648 1.00 0.00 N ATOM 585 CA ALA A 42 -1.183 -4.088 -10.478 1.00 0.00 C ATOM 586 C ALA A 42 -2.205 -3.573 -11.487 1.00 0.00 C ATOM 587 O ALA A 42 -3.345 -3.275 -11.133 1.00 0.00 O ATOM 588 CB ALA A 42 0.125 -3.322 -10.612 1.00 0.00 C ATOM 0 H ALA A 42 -0.067 -5.751 -11.099 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.585 -3.927 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.063 -2.256 -10.483 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.826 -3.662 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.550 -3.498 -11.600 1.00 0.00 H new ATOM 594 N ALA A 43 -1.788 -3.471 -12.745 1.00 0.00 N ATOM 595 CA ALA A 43 -2.667 -2.994 -13.805 1.00 0.00 C ATOM 596 C ALA A 43 -3.884 -3.900 -13.958 1.00 0.00 C ATOM 597 O ALA A 43 -5.016 -3.426 -14.041 1.00 0.00 O ATOM 598 CB ALA A 43 -1.907 -2.900 -15.119 1.00 0.00 C ATOM 0 H ALA A 43 -0.847 -3.712 -13.055 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.020 -2.000 -13.531 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.576 -2.542 -15.902 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.074 -2.206 -15.009 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.525 -3.884 -15.390 1.00 0.00 H new ATOM 604 N ALA A 44 -3.642 -5.206 -13.996 1.00 0.00 N ATOM 605 CA ALA A 44 -4.719 -6.179 -14.138 1.00 0.00 C ATOM 606 C ALA A 44 -5.825 -5.926 -13.120 1.00 0.00 C ATOM 607 O ALA A 44 -6.974 -6.312 -13.330 1.00 0.00 O ATOM 608 CB ALA A 44 -4.176 -7.592 -13.991 1.00 0.00 C ATOM 0 H ALA A 44 -2.710 -5.615 -13.930 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.147 -6.068 -15.134 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.991 -8.308 -14.099 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.427 -7.776 -14.761 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.721 -7.706 -13.007 1.00 0.00 H new ATOM 614 N ALA A 45 -5.470 -5.275 -12.017 1.00 0.00 N ATOM 615 CA ALA A 45 -6.434 -4.970 -10.967 1.00 0.00 C ATOM 616 C ALA A 45 -7.098 -3.618 -11.207 1.00 0.00 C ATOM 617 O ALA A 45 -7.644 -3.012 -10.286 1.00 0.00 O ATOM 618 CB ALA A 45 -5.755 -4.992 -9.605 1.00 0.00 C ATOM 0 H ALA A 45 -4.522 -4.949 -11.828 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.210 -5.735 -10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.486 -4.763 -8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.333 -5.981 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.958 -4.248 -9.584 1.00 0.00 H new ATOM 624 N ASN A 46 -7.046 -3.151 -12.450 1.00 0.00 N ATOM 625 CA ASN A 46 -7.642 -1.870 -12.811 1.00 0.00 C ATOM 626 C ASN A 46 -6.961 -0.725 -12.067 1.00 0.00 C ATOM 627 O ASN A 46 -7.591 0.286 -11.752 1.00 0.00 O ATOM 628 CB ASN A 46 -9.140 -1.876 -12.502 1.00 0.00 C ATOM 629 CG ASN A 46 -9.808 -3.177 -12.901 1.00 0.00 C ATOM 630 OD1 ASN A 46 -10.010 -3.447 -14.085 1.00 0.00 O ATOM 631 ND2 ASN A 46 -10.155 -3.992 -11.911 1.00 0.00 N ATOM 0 H ASN A 46 -6.597 -3.640 -13.224 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.500 -1.719 -13.881 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.289 -1.707 -11.436 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.619 -1.049 -13.026 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.608 -4.882 -12.118 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.968 -3.728 -10.944 1.00 0.00 H new ATOM 638 N LEU A 47 -5.673 -0.890 -11.789 1.00 0.00 N ATOM 639 CA LEU A 47 -4.906 0.130 -11.083 1.00 0.00 C ATOM 640 C LEU A 47 -4.324 1.147 -12.058 1.00 0.00 C ATOM 641 O LEU A 47 -3.839 0.786 -13.131 1.00 0.00 O ATOM 642 CB LEU A 47 -3.781 -0.519 -10.274 1.00 0.00 C ATOM 643 CG LEU A 47 -4.217 -1.485 -9.172 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.014 -2.212 -8.592 1.00 0.00 C ATOM 645 CD2 LEU A 47 -4.971 -0.741 -8.079 1.00 0.00 C ATOM 0 H LEU A 47 -5.138 -1.721 -12.042 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.581 0.651 -10.404 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.129 -1.056 -10.963 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.184 0.272 -9.821 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.887 -2.226 -9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.344 -2.895 -7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.516 -2.777 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.319 -1.486 -8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.274 -1.444 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.324 0.022 -7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.856 -0.267 -8.505 1.00 0.00 H new ATOM 657 N CYS A 48 -4.374 2.419 -11.678 1.00 0.00 N ATOM 658 CA CYS A 48 -3.851 3.490 -12.519 1.00 0.00 C ATOM 659 C CYS A 48 -3.125 4.535 -11.680 1.00 0.00 C ATOM 660 O CYS A 48 -3.519 4.849 -10.556 1.00 0.00 O ATOM 661 CB CYS A 48 -4.985 4.148 -13.307 1.00 0.00 C ATOM 662 SG CYS A 48 -4.625 5.837 -13.846 1.00 0.00 S ATOM 0 H CYS A 48 -4.771 2.734 -10.793 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.138 3.054 -13.219 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.207 3.538 -14.183 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.884 4.158 -12.690 1.00 0.00 H new ATOM 0 HG CYS A 48 -5.642 6.308 -14.505 1.00 0.00 H new ATOM 668 N PRO A 49 -2.036 5.088 -12.235 1.00 0.00 N ATOM 669 CA PRO A 49 -1.230 6.106 -11.553 1.00 0.00 C ATOM 670 C PRO A 49 -1.963 7.437 -11.429 1.00 0.00 C ATOM 671 O PRO A 49 -1.884 8.286 -12.317 1.00 0.00 O ATOM 672 CB PRO A 49 -0.004 6.253 -12.459 1.00 0.00 C ATOM 673 CG PRO A 49 -0.477 5.832 -13.807 1.00 0.00 C ATOM 674 CD PRO A 49 -1.507 4.762 -13.570 1.00 0.00 C ATOM 0 HA PRO A 49 -0.989 5.818 -10.530 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.359 7.281 -12.470 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.820 5.627 -12.115 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.907 6.674 -14.350 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.349 5.452 -14.409 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.290 4.782 -14.328 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.065 3.766 -13.595 1.00 0.00 H new ATOM 682 N GLY A 50 -2.675 7.615 -10.320 1.00 0.00 N ATOM 683 CA GLY A 50 -3.411 8.846 -10.100 1.00 0.00 C ATOM 684 C GLY A 50 -4.483 8.699 -9.039 1.00 0.00 C ATOM 685 O GLY A 50 -4.838 9.667 -8.367 1.00 0.00 O ATOM 0 H GLY A 50 -2.755 6.928 -9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.717 9.633 -9.804 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.871 9.163 -11.036 1.00 0.00 H new ATOM 689 N ASP A 51 -5.001 7.485 -8.887 1.00 0.00 N ATOM 690 CA ASP A 51 -6.039 7.214 -7.900 1.00 0.00 C ATOM 691 C ASP A 51 -5.580 7.621 -6.503 1.00 0.00 C ATOM 692 O ASP A 51 -4.384 7.637 -6.211 1.00 0.00 O ATOM 693 CB ASP A 51 -6.413 5.731 -7.915 1.00 0.00 C ATOM 694 CG ASP A 51 -7.540 5.428 -8.883 1.00 0.00 C ATOM 695 OD1 ASP A 51 -7.475 5.904 -10.035 1.00 0.00 O ATOM 696 OD2 ASP A 51 -8.487 4.716 -8.488 1.00 0.00 O ATOM 0 H ASP A 51 -4.719 6.673 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.917 7.805 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.537 5.141 -8.185 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.707 5.423 -6.912 1.00 0.00 H new ATOM 701 N VAL A 52 -6.539 7.952 -5.643 1.00 0.00 N ATOM 702 CA VAL A 52 -6.234 8.359 -4.277 1.00 0.00 C ATOM 703 C VAL A 52 -6.331 7.179 -3.317 1.00 0.00 C ATOM 704 O VAL A 52 -7.198 6.317 -3.462 1.00 0.00 O ATOM 705 CB VAL A 52 -7.182 9.475 -3.799 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.762 9.982 -2.428 1.00 0.00 C ATOM 707 CG2 VAL A 52 -7.219 10.612 -4.809 1.00 0.00 C ATOM 0 H VAL A 52 -7.534 7.946 -5.869 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.212 8.737 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.187 9.062 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.443 10.770 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.793 9.161 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.748 10.379 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.894 11.391 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.218 11.026 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.572 10.235 -5.769 1.00 0.00 H new ATOM 717 N ILE A 53 -5.435 7.147 -2.336 1.00 0.00 N ATOM 718 CA ILE A 53 -5.421 6.073 -1.350 1.00 0.00 C ATOM 719 C ILE A 53 -6.006 6.539 -0.021 1.00 0.00 C ATOM 720 O ILE A 53 -5.344 7.234 0.751 1.00 0.00 O ATOM 721 CB ILE A 53 -3.993 5.545 -1.113 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.391 5.034 -2.424 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.003 4.445 -0.063 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.908 3.673 -2.836 1.00 0.00 C ATOM 0 H ILE A 53 -4.710 7.852 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.035 5.267 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.374 6.364 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.606 5.751 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.307 4.986 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.987 4.082 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.396 4.840 0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.633 3.623 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.439 3.374 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.670 2.944 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.989 3.720 -2.970 1.00 0.00 H new ATOM 736 N LEU A 54 -7.249 6.150 0.240 1.00 0.00 N ATOM 737 CA LEU A 54 -7.923 6.525 1.478 1.00 0.00 C ATOM 738 C LEU A 54 -7.433 5.675 2.645 1.00 0.00 C ATOM 739 O LEU A 54 -7.141 6.192 3.723 1.00 0.00 O ATOM 740 CB LEU A 54 -9.438 6.374 1.323 1.00 0.00 C ATOM 741 CG LEU A 54 -10.093 7.246 0.251 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.546 6.846 0.052 1.00 0.00 C ATOM 743 CD2 LEU A 54 -9.988 8.718 0.623 1.00 0.00 C ATOM 0 H LEU A 54 -7.810 5.575 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.687 7.568 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.658 5.330 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.905 6.599 2.282 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.564 7.091 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.996 7.477 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.597 5.803 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.089 6.970 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.459 9.323 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.491 8.890 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.938 8.997 0.712 1.00 0.00 H new ATOM 755 N ALA A 55 -7.344 4.368 2.422 1.00 0.00 N ATOM 756 CA ALA A 55 -6.885 3.446 3.454 1.00 0.00 C ATOM 757 C ALA A 55 -6.069 2.308 2.850 1.00 0.00 C ATOM 758 O ALA A 55 -6.386 1.811 1.769 1.00 0.00 O ATOM 759 CB ALA A 55 -8.069 2.894 4.233 1.00 0.00 C ATOM 0 H ALA A 55 -7.584 3.924 1.536 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.240 3.997 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.711 2.207 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.609 3.715 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.736 2.364 3.554 1.00 0.00 H new ATOM 765 N ILE A 56 -5.018 1.901 3.553 1.00 0.00 N ATOM 766 CA ILE A 56 -4.158 0.822 3.086 1.00 0.00 C ATOM 767 C ILE A 56 -4.405 -0.459 3.875 1.00 0.00 C ATOM 768 O ILE A 56 -4.560 -0.428 5.096 1.00 0.00 O ATOM 769 CB ILE A 56 -2.669 1.200 3.196 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.369 2.433 2.341 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.793 0.030 2.773 1.00 0.00 C ATOM 772 CD1 ILE A 56 -1.008 3.036 2.607 1.00 0.00 C ATOM 0 H ILE A 56 -4.742 2.303 4.449 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.405 0.654 2.038 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.446 1.439 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.437 2.160 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.134 3.187 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.744 0.313 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.991 -0.825 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.016 -0.237 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.864 3.906 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.943 3.340 3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.235 2.297 2.395 1.00 0.00 H new ATOM 784 N ASP A 57 -4.438 -1.585 3.171 1.00 0.00 N ATOM 785 CA ASP A 57 -4.663 -2.878 3.806 1.00 0.00 C ATOM 786 C ASP A 57 -5.617 -2.744 4.989 1.00 0.00 C ATOM 787 O ASP A 57 -5.396 -3.331 6.047 1.00 0.00 O ATOM 788 CB ASP A 57 -3.336 -3.480 4.271 1.00 0.00 C ATOM 789 CG ASP A 57 -2.798 -2.802 5.515 1.00 0.00 C ATOM 790 OD1 ASP A 57 -2.491 -1.594 5.447 1.00 0.00 O ATOM 791 OD2 ASP A 57 -2.682 -3.480 6.558 1.00 0.00 O ATOM 0 H ASP A 57 -4.312 -1.628 2.160 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.116 -3.542 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.472 -4.543 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.602 -3.397 3.469 1.00 0.00 H new ATOM 796 N GLY A 58 -6.679 -1.966 4.801 1.00 0.00 N ATOM 797 CA GLY A 58 -7.650 -1.768 5.861 1.00 0.00 C ATOM 798 C GLY A 58 -7.126 -0.875 6.968 1.00 0.00 C ATOM 799 O GLY A 58 -7.322 -1.159 8.150 1.00 0.00 O ATOM 0 H GLY A 58 -6.884 -1.470 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.556 -1.329 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.928 -2.735 6.280 1.00 0.00 H new ATOM 803 N PHE A 59 -6.456 0.208 6.585 1.00 0.00 N ATOM 804 CA PHE A 59 -5.900 1.144 7.554 1.00 0.00 C ATOM 805 C PHE A 59 -5.791 2.544 6.957 1.00 0.00 C ATOM 806 O PHE A 59 -4.911 2.816 6.141 1.00 0.00 O ATOM 807 CB PHE A 59 -4.523 0.668 8.022 1.00 0.00 C ATOM 808 CG PHE A 59 -4.575 -0.553 8.895 1.00 0.00 C ATOM 809 CD1 PHE A 59 -5.412 -0.597 9.999 1.00 0.00 C ATOM 810 CD2 PHE A 59 -3.788 -1.657 8.612 1.00 0.00 C ATOM 811 CE1 PHE A 59 -5.462 -1.719 10.804 1.00 0.00 C ATOM 812 CE2 PHE A 59 -3.834 -2.783 9.413 1.00 0.00 C ATOM 813 CZ PHE A 59 -4.672 -2.814 10.510 1.00 0.00 C ATOM 0 H PHE A 59 -6.286 0.458 5.611 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.573 1.185 8.410 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.905 0.455 7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.035 1.475 8.569 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.032 0.256 10.233 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.131 -1.638 7.755 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.118 -1.740 11.662 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.215 -3.637 9.181 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.710 -3.692 11.137 1.00 0.00 H new ATOM 823 N GLY A 60 -6.692 3.430 7.371 1.00 0.00 N ATOM 824 CA GLY A 60 -6.681 4.790 6.867 1.00 0.00 C ATOM 825 C GLY A 60 -5.316 5.440 6.982 1.00 0.00 C ATOM 826 O GLY A 60 -4.568 5.171 7.922 1.00 0.00 O ATOM 0 H GLY A 60 -7.429 3.229 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.993 4.790 5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.410 5.384 7.417 1.00 0.00 H new ATOM 830 N THR A 61 -4.988 6.298 6.020 1.00 0.00 N ATOM 831 CA THR A 61 -3.703 6.986 6.016 1.00 0.00 C ATOM 832 C THR A 61 -3.799 8.335 6.719 1.00 0.00 C ATOM 833 O THR A 61 -3.211 9.320 6.273 1.00 0.00 O ATOM 834 CB THR A 61 -3.187 7.203 4.581 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.023 8.143 3.897 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.157 5.891 3.812 1.00 0.00 C ATOM 0 H THR A 61 -5.595 6.533 5.234 1.00 0.00 H new ATOM 0 HA THR A 61 -3.001 6.349 6.554 1.00 0.00 H new ATOM 0 HB THR A 61 -2.172 7.595 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.788 8.158 2.946 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.789 6.070 2.802 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.497 5.187 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.163 5.475 3.763 1.00 0.00 H new ATOM 844 N GLU A 62 -4.543 8.372 7.819 1.00 0.00 N ATOM 845 CA GLU A 62 -4.715 9.602 8.583 1.00 0.00 C ATOM 846 C GLU A 62 -3.404 10.021 9.242 1.00 0.00 C ATOM 847 O GLU A 62 -3.134 11.210 9.410 1.00 0.00 O ATOM 848 CB GLU A 62 -5.799 9.420 9.649 1.00 0.00 C ATOM 849 CG GLU A 62 -5.478 8.335 10.663 1.00 0.00 C ATOM 850 CD GLU A 62 -5.834 6.947 10.166 1.00 0.00 C ATOM 851 OE1 GLU A 62 -6.794 6.828 9.376 1.00 0.00 O ATOM 852 OE2 GLU A 62 -5.152 5.981 10.566 1.00 0.00 O ATOM 0 H GLU A 62 -5.036 7.565 8.201 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.022 10.388 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.944 10.365 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.742 9.180 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.415 8.370 10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.019 8.536 11.588 1.00 0.00 H new ATOM 859 N SER A 63 -2.594 9.035 9.613 1.00 0.00 N ATOM 860 CA SER A 63 -1.313 9.301 10.258 1.00 0.00 C ATOM 861 C SER A 63 -0.211 8.438 9.651 1.00 0.00 C ATOM 862 O SER A 63 0.753 8.078 10.327 1.00 0.00 O ATOM 863 CB SER A 63 -1.411 9.040 11.762 1.00 0.00 C ATOM 864 OG SER A 63 -0.257 9.510 12.437 1.00 0.00 O ATOM 0 H SER A 63 -2.801 8.045 9.478 1.00 0.00 H new ATOM 0 HA SER A 63 -1.062 10.349 10.095 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.297 9.533 12.163 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.532 7.972 11.942 1.00 0.00 H new ATOM 0 HG SER A 63 0.546 9.196 11.970 1.00 0.00 H new ATOM 870 N MET A 64 -0.361 8.109 8.372 1.00 0.00 N ATOM 871 CA MET A 64 0.622 7.289 7.673 1.00 0.00 C ATOM 872 C MET A 64 1.351 8.103 6.609 1.00 0.00 C ATOM 873 O MET A 64 0.819 8.347 5.526 1.00 0.00 O ATOM 874 CB MET A 64 -0.058 6.079 7.030 1.00 0.00 C ATOM 875 CG MET A 64 0.693 5.529 5.827 1.00 0.00 C ATOM 876 SD MET A 64 0.435 3.759 5.598 1.00 0.00 S ATOM 877 CE MET A 64 -1.328 3.634 5.885 1.00 0.00 C ATOM 0 H MET A 64 -1.154 8.398 7.799 1.00 0.00 H new ATOM 0 HA MET A 64 1.353 6.941 8.402 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.160 5.291 7.776 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.065 6.359 6.722 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.372 6.058 4.930 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.758 5.724 5.948 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.507 3.148 6.844 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.766 4.632 5.896 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.785 3.046 5.090 1.00 0.00 H new ATOM 887 N THR A 65 2.572 8.523 6.925 1.00 0.00 N ATOM 888 CA THR A 65 3.374 9.311 5.997 1.00 0.00 C ATOM 889 C THR A 65 3.837 8.465 4.816 1.00 0.00 C ATOM 890 O THR A 65 3.742 7.238 4.843 1.00 0.00 O ATOM 891 CB THR A 65 4.606 9.918 6.694 1.00 0.00 C ATOM 892 OG1 THR A 65 5.529 8.882 7.048 1.00 0.00 O ATOM 893 CG2 THR A 65 4.198 10.688 7.941 1.00 0.00 C ATOM 0 H THR A 65 3.027 8.330 7.817 1.00 0.00 H new ATOM 0 HA THR A 65 2.737 10.118 5.635 1.00 0.00 H new ATOM 0 HB THR A 65 5.085 10.609 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.121 8.295 7.719 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.085 11.107 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.519 11.494 7.665 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.698 10.015 8.637 1.00 0.00 H new ATOM 901 N HIS A 66 4.340 9.129 3.780 1.00 0.00 N ATOM 902 CA HIS A 66 4.820 8.438 2.589 1.00 0.00 C ATOM 903 C HIS A 66 5.669 7.228 2.968 1.00 0.00 C ATOM 904 O HIS A 66 5.384 6.104 2.556 1.00 0.00 O ATOM 905 CB HIS A 66 5.633 9.391 1.713 1.00 0.00 C ATOM 906 CG HIS A 66 5.541 9.085 0.250 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.347 8.833 -0.393 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.503 8.993 -0.698 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.579 8.597 -1.672 1.00 0.00 C ATOM 910 NE2 HIS A 66 5.880 8.689 -1.883 1.00 0.00 N ATOM 0 H HIS A 66 4.426 10.145 3.741 1.00 0.00 H new ATOM 0 HA HIS A 66 3.953 8.090 2.027 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.290 10.411 1.885 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.678 9.350 2.019 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.564 9.133 -0.550 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.832 8.368 -2.418 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.346 8.556 -2.781 1.00 0.00 H new ATOM 919 N ALA A 67 6.713 7.467 3.755 1.00 0.00 N ATOM 920 CA ALA A 67 7.602 6.397 4.190 1.00 0.00 C ATOM 921 C ALA A 67 6.819 5.265 4.846 1.00 0.00 C ATOM 922 O ALA A 67 7.057 4.090 4.566 1.00 0.00 O ATOM 923 CB ALA A 67 8.651 6.940 5.150 1.00 0.00 C ATOM 0 H ALA A 67 6.964 8.392 4.104 1.00 0.00 H new ATOM 0 HA ALA A 67 8.103 5.995 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.308 6.130 5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.239 7.709 4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.158 7.370 6.022 1.00 0.00 H new ATOM 929 N ASP A 68 5.885 5.626 5.718 1.00 0.00 N ATOM 930 CA ASP A 68 5.066 4.639 6.413 1.00 0.00 C ATOM 931 C ASP A 68 4.326 3.750 5.419 1.00 0.00 C ATOM 932 O ASP A 68 4.235 2.537 5.605 1.00 0.00 O ATOM 933 CB ASP A 68 4.065 5.336 7.337 1.00 0.00 C ATOM 934 CG ASP A 68 4.667 5.688 8.683 1.00 0.00 C ATOM 935 OD1 ASP A 68 5.363 4.830 9.264 1.00 0.00 O ATOM 936 OD2 ASP A 68 4.442 6.822 9.154 1.00 0.00 O ATOM 0 H ASP A 68 5.676 6.594 5.961 1.00 0.00 H new ATOM 0 HA ASP A 68 5.726 4.012 7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.702 6.244 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.201 4.688 7.487 1.00 0.00 H new ATOM 941 N ALA A 69 3.798 4.362 4.364 1.00 0.00 N ATOM 942 CA ALA A 69 3.066 3.625 3.341 1.00 0.00 C ATOM 943 C ALA A 69 3.955 2.578 2.678 1.00 0.00 C ATOM 944 O ALA A 69 3.575 1.414 2.560 1.00 0.00 O ATOM 945 CB ALA A 69 2.508 4.583 2.298 1.00 0.00 C ATOM 0 H ALA A 69 3.863 5.366 4.195 1.00 0.00 H new ATOM 0 HA ALA A 69 2.237 3.108 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.964 4.019 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.832 5.291 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.328 5.126 1.827 1.00 0.00 H new ATOM 951 N GLN A 70 5.139 3.001 2.246 1.00 0.00 N ATOM 952 CA GLN A 70 6.080 2.099 1.593 1.00 0.00 C ATOM 953 C GLN A 70 6.377 0.890 2.475 1.00 0.00 C ATOM 954 O GLN A 70 6.558 -0.222 1.980 1.00 0.00 O ATOM 955 CB GLN A 70 7.380 2.835 1.264 1.00 0.00 C ATOM 956 CG GLN A 70 7.173 4.290 0.875 1.00 0.00 C ATOM 957 CD GLN A 70 8.229 4.793 -0.089 1.00 0.00 C ATOM 958 OE1 GLN A 70 7.840 5.708 -0.969 1.00 0.00 O flip ATOM 959 NE2 GLN A 70 9.382 4.363 -0.045 1.00 0.00 N flip ATOM 0 H GLN A 70 5.469 3.962 2.336 1.00 0.00 H new ATOM 0 HA GLN A 70 5.624 1.748 0.667 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.043 2.789 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.884 2.317 0.448 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.189 4.404 0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.183 4.907 1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.638 3.660 0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.081 4.710 -0.701 1.00 0.00 H new ATOM 968 N ASP A 71 6.424 1.116 3.783 1.00 0.00 N ATOM 969 CA ASP A 71 6.698 0.046 4.735 1.00 0.00 C ATOM 970 C ASP A 71 5.438 -0.767 5.016 1.00 0.00 C ATOM 971 O ASP A 71 5.500 -1.839 5.617 1.00 0.00 O ATOM 972 CB ASP A 71 7.250 0.622 6.039 1.00 0.00 C ATOM 973 CG ASP A 71 8.762 0.736 6.028 1.00 0.00 C ATOM 974 OD1 ASP A 71 9.291 1.532 5.225 1.00 0.00 O ATOM 975 OD2 ASP A 71 9.415 0.029 6.824 1.00 0.00 O ATOM 0 H ASP A 71 6.276 2.031 4.209 1.00 0.00 H new ATOM 0 HA ASP A 71 7.445 -0.615 4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.816 1.607 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.942 -0.011 6.871 1.00 0.00 H new ATOM 980 N ARG A 72 4.295 -0.247 4.578 1.00 0.00 N ATOM 981 CA ARG A 72 3.020 -0.923 4.785 1.00 0.00 C ATOM 982 C ARG A 72 2.637 -1.749 3.561 1.00 0.00 C ATOM 983 O ARG A 72 2.008 -2.800 3.681 1.00 0.00 O ATOM 984 CB ARG A 72 1.922 0.097 5.090 1.00 0.00 C ATOM 985 CG ARG A 72 1.756 0.390 6.572 1.00 0.00 C ATOM 986 CD ARG A 72 0.749 -0.548 7.216 1.00 0.00 C ATOM 987 NE ARG A 72 0.486 -0.197 8.610 1.00 0.00 N ATOM 988 CZ ARG A 72 1.238 -0.607 9.625 1.00 0.00 C ATOM 989 NH1 ARG A 72 2.294 -1.378 9.404 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.935 -0.245 10.865 1.00 0.00 N ATOM 0 H ARG A 72 4.226 0.639 4.078 1.00 0.00 H new ATOM 0 HA ARG A 72 3.128 -1.596 5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.147 1.027 4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.976 -0.271 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.719 0.292 7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.431 1.422 6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.184 -0.520 6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.122 -1.571 7.164 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.319 0.395 8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.531 -1.658 8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.869 -1.691 10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.124 0.349 11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.513 -0.560 11.644 1.00 0.00 H new ATOM 1004 N ILE A 73 3.021 -1.265 2.384 1.00 0.00 N ATOM 1005 CA ILE A 73 2.718 -1.959 1.138 1.00 0.00 C ATOM 1006 C ILE A 73 3.621 -3.173 0.952 1.00 0.00 C ATOM 1007 O ILE A 73 3.165 -4.245 0.553 1.00 0.00 O ATOM 1008 CB ILE A 73 2.874 -1.026 -0.077 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.919 0.164 0.039 1.00 0.00 C ATOM 1010 CG2 ILE A 73 2.620 -1.791 -1.368 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.395 1.395 -0.700 1.00 0.00 C ATOM 0 H ILE A 73 3.542 -0.396 2.267 1.00 0.00 H new ATOM 0 HA ILE A 73 1.681 -2.288 1.203 1.00 0.00 H new ATOM 0 HB ILE A 73 3.896 -0.647 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.942 -0.126 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.786 0.411 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.734 -1.118 -2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.336 -2.608 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.608 -2.195 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.669 2.198 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.358 1.710 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.501 1.165 -1.760 1.00 0.00 H new ATOM 1023 N LYS A 74 4.906 -2.999 1.244 1.00 0.00 N ATOM 1024 CA LYS A 74 5.874 -4.081 1.113 1.00 0.00 C ATOM 1025 C LYS A 74 5.613 -5.174 2.145 1.00 0.00 C ATOM 1026 O LYS A 74 5.836 -6.355 1.881 1.00 0.00 O ATOM 1027 CB LYS A 74 7.297 -3.542 1.274 1.00 0.00 C ATOM 1028 CG LYS A 74 7.630 -3.119 2.695 1.00 0.00 C ATOM 1029 CD LYS A 74 9.129 -2.968 2.895 1.00 0.00 C ATOM 1030 CE LYS A 74 9.477 -2.767 4.362 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.938 -2.559 4.562 1.00 0.00 N ATOM 0 H LYS A 74 5.301 -2.118 1.573 1.00 0.00 H new ATOM 0 HA LYS A 74 5.766 -4.513 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.005 -4.308 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.431 -2.689 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.135 -2.174 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.241 -3.857 3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.639 -3.854 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.491 -2.120 2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.931 -1.907 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.152 -3.636 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.134 -2.426 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.458 -3.390 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.244 -1.715 4.036 1.00 0.00 H new ATOM 1045 N ALA A 75 5.139 -4.771 3.319 1.00 0.00 N ATOM 1046 CA ALA A 75 4.844 -5.716 4.389 1.00 0.00 C ATOM 1047 C ALA A 75 3.370 -6.107 4.385 1.00 0.00 C ATOM 1048 O ALA A 75 2.853 -6.625 5.375 1.00 0.00 O ATOM 1049 CB ALA A 75 5.233 -5.127 5.736 1.00 0.00 C ATOM 0 H ALA A 75 4.951 -3.796 3.553 1.00 0.00 H new ATOM 0 HA ALA A 75 5.432 -6.617 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.007 -5.844 6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.300 -4.905 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.671 -4.209 5.908 1.00 0.00 H new ATOM 1055 N ALA A 76 2.698 -5.854 3.267 1.00 0.00 N ATOM 1056 CA ALA A 76 1.283 -6.181 3.135 1.00 0.00 C ATOM 1057 C ALA A 76 1.028 -7.650 3.451 1.00 0.00 C ATOM 1058 O ALA A 76 1.941 -8.381 3.833 1.00 0.00 O ATOM 1059 CB ALA A 76 0.793 -5.846 1.734 1.00 0.00 C ATOM 0 H ALA A 76 3.110 -5.424 2.439 1.00 0.00 H new ATOM 0 HA ALA A 76 0.727 -5.581 3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.265 -6.095 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.931 -4.781 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.361 -6.421 1.003 1.00 0.00 H new ATOM 1065 N SER A 77 -0.221 -8.077 3.288 1.00 0.00 N ATOM 1066 CA SER A 77 -0.597 -9.459 3.560 1.00 0.00 C ATOM 1067 C SER A 77 -1.015 -10.171 2.277 1.00 0.00 C ATOM 1068 O SER A 77 -1.037 -9.573 1.201 1.00 0.00 O ATOM 1069 CB SER A 77 -1.738 -9.508 4.579 1.00 0.00 C ATOM 1070 OG SER A 77 -1.253 -9.323 5.897 1.00 0.00 O ATOM 0 H SER A 77 -0.989 -7.486 2.969 1.00 0.00 H new ATOM 0 HA SER A 77 0.272 -9.972 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.471 -8.736 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.252 -10.467 4.508 1.00 0.00 H new ATOM 0 HG SER A 77 -2.001 -9.357 6.529 1.00 0.00 H new ATOM 1076 N TYR A 78 -1.347 -11.452 2.399 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.762 -12.247 1.250 1.00 0.00 C ATOM 1078 C TYR A 78 -2.607 -11.416 0.289 1.00 0.00 C ATOM 1079 O TYR A 78 -2.523 -11.580 -0.928 1.00 0.00 O ATOM 1080 CB TYR A 78 -2.551 -13.474 1.711 1.00 0.00 C ATOM 1081 CG TYR A 78 -3.393 -14.096 0.620 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -4.611 -13.539 0.252 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -2.970 -15.243 -0.042 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -5.384 -14.105 -0.744 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -3.736 -15.815 -1.040 1.00 0.00 C ATOM 1086 CZ TYR A 78 -4.942 -15.242 -1.387 1.00 0.00 C ATOM 1087 OH TYR A 78 -5.708 -15.810 -2.379 1.00 0.00 O ATOM 0 H TYR A 78 -1.337 -11.962 3.283 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.865 -12.576 0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.855 -14.221 2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.198 -13.189 2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.960 -12.648 0.753 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.027 -15.695 0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.329 -13.659 -1.017 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.392 -16.705 -1.545 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.253 -16.604 -2.730 1.00 0.00 H new ATOM 1097 N GLN A 79 -3.419 -10.524 0.846 1.00 0.00 N ATOM 1098 CA GLN A 79 -4.280 -9.667 0.039 1.00 0.00 C ATOM 1099 C GLN A 79 -4.155 -8.209 0.471 1.00 0.00 C ATOM 1100 O GLN A 79 -4.344 -7.879 1.642 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.736 -10.121 0.151 1.00 0.00 C ATOM 1102 CG GLN A 79 -6.267 -10.118 1.575 1.00 0.00 C ATOM 1103 CD GLN A 79 -7.618 -10.795 1.696 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.708 -11.968 2.060 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -8.679 -10.058 1.389 1.00 0.00 N ATOM 0 H GLN A 79 -3.499 -10.376 1.852 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.960 -9.748 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.359 -9.469 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.827 -11.127 -0.260 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.553 -10.622 2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.348 -9.089 1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.559 -9.090 1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.614 -10.460 1.450 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.835 -7.341 -0.482 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.684 -5.917 -0.201 1.00 0.00 C ATOM 1116 C LEU A 80 -4.985 -5.168 -0.473 1.00 0.00 C ATOM 1117 O LEU A 80 -5.446 -5.099 -1.613 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.555 -5.327 -1.048 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.279 -3.836 -0.852 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.802 -3.562 0.565 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.255 -3.345 -1.866 1.00 0.00 C ATOM 0 H LEU A 80 -3.675 -7.598 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.435 -5.804 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.639 -5.877 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.789 -5.498 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.209 -3.291 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.611 -2.496 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.569 -3.875 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.884 -4.119 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.071 -2.282 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.324 -3.897 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.636 -3.504 -2.875 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.569 -4.606 0.579 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.816 -3.860 0.454 1.00 0.00 C ATOM 1135 C CYS A 81 -6.549 -2.359 0.414 1.00 0.00 C ATOM 1136 O CYS A 81 -6.122 -1.767 1.406 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.753 -4.194 1.615 1.00 0.00 C ATOM 1138 SG CYS A 81 -8.856 -5.591 1.296 1.00 0.00 S ATOM 0 H CYS A 81 -5.199 -4.653 1.528 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.293 -4.151 -0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.155 -4.412 2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.355 -3.315 1.846 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.607 -5.797 2.337 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.803 -1.748 -0.738 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.589 -0.315 -0.908 1.00 0.00 C ATOM 1146 C LEU A 82 -7.869 0.375 -1.367 1.00 0.00 C ATOM 1147 O LEU A 82 -8.371 0.115 -2.460 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.469 -0.064 -1.919 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.075 -0.541 -1.510 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.169 -0.648 -2.727 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.472 0.398 -0.475 1.00 0.00 C ATOM 0 H LEU A 82 -7.157 -2.223 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.299 0.102 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.737 -0.551 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.421 1.006 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.167 -1.531 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.181 -0.989 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.593 -1.361 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.083 0.329 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.480 0.043 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.393 1.401 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.110 0.424 0.408 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.392 1.260 -0.525 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.611 1.993 -0.844 1.00 0.00 C ATOM 1165 C LYS A 83 -9.295 3.260 -1.632 1.00 0.00 C ATOM 1166 O LYS A 83 -8.347 3.979 -1.314 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.365 2.352 0.439 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.714 3.004 0.189 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.149 3.856 1.370 1.00 0.00 C ATOM 1170 CE LYS A 83 -12.774 3.010 2.468 1.00 0.00 C ATOM 1171 NZ LYS A 83 -12.556 3.601 3.817 1.00 0.00 N ATOM 0 H LYS A 83 -7.990 1.487 0.385 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.240 1.351 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.512 1.448 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.750 3.026 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.660 3.623 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.462 2.234 -0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.289 4.393 1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.866 4.606 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.844 2.910 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.350 2.006 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.997 2.994 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.535 3.674 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.983 4.549 3.854 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.094 3.527 -2.659 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.900 4.709 -3.490 1.00 0.00 C ATOM 1187 C ILE A 84 -11.164 5.561 -3.538 1.00 0.00 C ATOM 1188 O ILE A 84 -12.277 5.044 -3.444 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.496 4.327 -4.926 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.521 3.363 -5.528 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.107 3.707 -4.939 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -11.631 4.057 -6.286 1.00 0.00 C ATOM 0 H ILE A 84 -10.882 2.941 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.094 5.285 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.474 5.231 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.009 2.674 -6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.957 2.764 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.836 3.443 -5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.385 4.423 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.103 2.810 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -12.320 3.312 -6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -12.168 4.725 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.205 4.634 -7.107 1.00 0.00 H new ATOM 1204 N ASP A 85 -10.984 6.868 -3.689 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.110 7.793 -3.753 1.00 0.00 C ATOM 1206 C ASP A 85 -12.609 7.941 -5.187 1.00 0.00 C ATOM 1207 O ASP A 85 -13.342 8.878 -5.506 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.708 9.159 -3.196 1.00 0.00 C ATOM 1209 CG ASP A 85 -12.903 10.064 -2.964 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -14.038 9.546 -2.914 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -12.703 11.289 -2.833 1.00 0.00 O ATOM 0 H ASP A 85 -10.069 7.311 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.918 7.386 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.172 9.022 -2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.019 9.642 -3.889 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.208 7.012 -6.048 1.00 0.00 N ATOM 1217 CA ARG A 86 -12.613 7.041 -7.448 1.00 0.00 C ATOM 1218 C ARG A 86 -12.693 8.476 -7.961 1.00 0.00 C ATOM 1219 O ARG A 86 -13.690 8.875 -8.563 1.00 0.00 O ATOM 1220 CB ARG A 86 -13.965 6.348 -7.624 1.00 0.00 C ATOM 1221 CG ARG A 86 -14.126 5.660 -8.970 1.00 0.00 C ATOM 1222 CD ARG A 86 -14.725 6.597 -10.007 1.00 0.00 C ATOM 1223 NE ARG A 86 -14.962 5.925 -11.281 1.00 0.00 N ATOM 1224 CZ ARG A 86 -14.030 5.772 -12.216 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -12.806 6.242 -12.020 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -14.323 5.148 -13.350 1.00 0.00 N ATOM 0 H ARG A 86 -11.603 6.229 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.861 6.507 -8.029 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.092 5.611 -6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.760 7.085 -7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.156 5.305 -9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.765 4.784 -8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.665 7.001 -9.630 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.054 7.442 -10.162 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.894 5.553 -11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.577 6.723 -11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.093 6.123 -12.739 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.264 4.786 -13.504 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.607 5.031 -14.067 1.00 0.00 H new