USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 676 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 68 MET CE :methyl -153:sc= -1.58 (180deg=-3.28!) USER MOD Set 1.2: A 72 GLN : amide:sc= -1.43 K(o=-3,f=-3.9) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= -0.16 USER MOD Set 2.2: A 56 GLN : amide:sc= -6.21! C(o=-6.4!,f=-4.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -2.16 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 90:sc= -0.142 USER MOD Single : A 21 MET CE :methyl 161:sc= -4.75! (180deg=-6.2!) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0145) USER MOD Single : A 27 CYS SG : rot -25:sc= 0 USER MOD Single : A 30 SER OG : rot -67:sc= 1.21 USER MOD Single : A 32 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.072) USER MOD Single : A 40 SER OG : rot 56:sc= 0.0104 USER MOD Single : A 41 SER OG : rot -130:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -5.38! C(o=-5.4!,f=-9.8!) USER MOD Single : A 57 CYS SG : rot -30:sc= 1.18 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -170:sc= 0 USER MOD Single : A 74 THR OG1 : rot -77:sc= 0.775 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00817 X(o=-0.0082,f=0) USER MOD Single : A 82 SER OG : rot 41:sc= 0.176 USER MOD Single : A 83 MET CE :methyl 179:sc= -2.3! (180deg=-2.34!) USER MOD Single : A 89 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.25) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 7.462 0.197 0.329 1.00 0.00 N ATOM 66 CA LYS A 5 6.246 -0.576 0.513 1.00 0.00 C ATOM 67 C LYS A 5 5.721 -1.026 -0.851 1.00 0.00 C ATOM 68 O LYS A 5 6.241 -0.615 -1.887 1.00 0.00 O ATOM 69 CB LYS A 5 5.226 0.217 1.334 1.00 0.00 C ATOM 70 CG LYS A 5 5.646 0.293 2.803 1.00 0.00 C ATOM 71 CD LYS A 5 4.860 -0.710 3.650 1.00 0.00 C ATOM 72 CE LYS A 5 4.851 -0.297 5.123 1.00 0.00 C ATOM 73 NZ LYS A 5 3.684 0.567 5.412 1.00 0.00 N ATOM 0 HA LYS A 5 6.452 -1.478 1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.130 1.224 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.246 -0.254 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.714 0.091 2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.480 1.302 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.836 -0.779 3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.302 -1.701 3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.820 -1.184 5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.772 0.234 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.693 0.838 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.731 1.422 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.807 0.048 5.201 1.00 0.00 H new ATOM 87 N SER A 6 4.697 -1.866 -0.808 1.00 0.00 N ATOM 88 CA SER A 6 4.095 -2.377 -2.028 1.00 0.00 C ATOM 89 C SER A 6 2.592 -2.579 -1.825 1.00 0.00 C ATOM 90 O SER A 6 2.105 -2.557 -0.696 1.00 0.00 O ATOM 91 CB SER A 6 4.754 -3.688 -2.459 1.00 0.00 C ATOM 92 OG SER A 6 4.076 -4.290 -3.559 1.00 0.00 O ATOM 0 H SER A 6 4.269 -2.206 0.053 1.00 0.00 H new ATOM 0 HA SER A 6 4.252 -1.645 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.792 -3.499 -2.732 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.767 -4.381 -1.618 1.00 0.00 H new ATOM 0 HG SER A 6 4.528 -5.124 -3.805 1.00 0.00 H new ATOM 98 N SER A 7 1.899 -2.771 -2.938 1.00 0.00 N ATOM 99 CA SER A 7 0.461 -2.977 -2.897 1.00 0.00 C ATOM 100 C SER A 7 0.121 -4.391 -3.371 1.00 0.00 C ATOM 101 O SER A 7 0.499 -4.788 -4.473 1.00 0.00 O ATOM 102 CB SER A 7 -0.269 -1.940 -3.753 1.00 0.00 C ATOM 103 OG SER A 7 -1.412 -2.491 -4.401 1.00 0.00 O ATOM 0 H SER A 7 2.306 -2.788 -3.873 1.00 0.00 H new ATOM 0 HA SER A 7 0.128 -2.857 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.576 -1.104 -3.125 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.415 -1.542 -4.502 1.00 0.00 H new ATOM 0 HG SER A 7 -1.851 -1.797 -4.936 1.00 0.00 H new ATOM 109 N ILE A 8 -0.589 -5.113 -2.517 1.00 0.00 N ATOM 110 CA ILE A 8 -0.984 -6.475 -2.835 1.00 0.00 C ATOM 111 C ILE A 8 -2.504 -6.601 -2.716 1.00 0.00 C ATOM 112 O ILE A 8 -3.048 -6.577 -1.613 1.00 0.00 O ATOM 113 CB ILE A 8 -0.214 -7.473 -1.968 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.257 -7.072 -1.846 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.379 -8.899 -2.496 1.00 0.00 C ATOM 116 CD1 ILE A 8 2.019 -7.383 -3.136 1.00 0.00 C ATOM 0 H ILE A 8 -0.901 -4.781 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.723 -6.717 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.637 -7.452 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.330 -6.007 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.715 -7.604 -1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.178 -9.589 -1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.435 -9.170 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.002 -8.956 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.062 -7.088 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.964 -8.452 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.574 -6.831 -3.964 1.00 0.00 H new ATOM 128 N LEU A 9 -3.147 -6.734 -3.867 1.00 0.00 N ATOM 129 CA LEU A 9 -4.593 -6.864 -3.906 1.00 0.00 C ATOM 130 C LEU A 9 -4.968 -8.347 -3.908 1.00 0.00 C ATOM 131 O LEU A 9 -4.486 -9.111 -4.744 1.00 0.00 O ATOM 132 CB LEU A 9 -5.171 -6.082 -5.088 1.00 0.00 C ATOM 133 CG LEU A 9 -6.696 -5.988 -5.149 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.243 -5.171 -3.976 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.158 -5.433 -6.498 1.00 0.00 C ATOM 0 H LEU A 9 -2.692 -6.754 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.038 -6.423 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.765 -5.071 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.818 -6.543 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.104 -6.995 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.330 -5.120 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.960 -5.647 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.829 -4.163 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.246 -5.377 -6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.741 -4.437 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.816 -6.090 -7.298 1.00 0.00 H new ATOM 147 N LEU A 10 -5.823 -8.710 -2.964 1.00 0.00 N ATOM 148 CA LEU A 10 -6.268 -10.089 -2.847 1.00 0.00 C ATOM 149 C LEU A 10 -7.712 -10.198 -3.340 1.00 0.00 C ATOM 150 O LEU A 10 -8.483 -9.246 -3.231 1.00 0.00 O ATOM 151 CB LEU A 10 -6.065 -10.598 -1.418 1.00 0.00 C ATOM 152 CG LEU A 10 -4.642 -11.024 -1.054 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.677 -9.840 -1.133 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.606 -11.701 0.318 1.00 0.00 C ATOM 0 H LEU A 10 -6.220 -8.074 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.665 -10.739 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.377 -9.815 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.729 -11.447 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.309 -11.760 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.673 -10.171 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.673 -9.441 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.997 -9.063 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.583 -11.994 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.967 -11.006 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.243 -12.586 0.304 1.00 0.00 H new ATOM 166 N ASP A 11 -8.036 -11.368 -3.871 1.00 0.00 N ATOM 167 CA ASP A 11 -9.374 -11.614 -4.380 1.00 0.00 C ATOM 168 C ASP A 11 -9.884 -12.950 -3.838 1.00 0.00 C ATOM 169 O ASP A 11 -9.629 -14.001 -4.424 1.00 0.00 O ATOM 170 CB ASP A 11 -9.376 -11.693 -5.908 1.00 0.00 C ATOM 171 CG ASP A 11 -10.609 -11.091 -6.586 1.00 0.00 C ATOM 172 OD1 ASP A 11 -10.669 -9.802 -6.564 1.00 0.00 O ATOM 173 OD2 ASP A 11 -11.469 -11.816 -7.108 1.00 0.00 O ATOM 0 H ASP A 11 -7.394 -12.156 -3.960 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.013 -10.791 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.489 -11.184 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.292 -12.739 -6.203 1.00 0.00 H new ATOM 178 N VAL A 12 -10.596 -12.866 -2.723 1.00 0.00 N ATOM 179 CA VAL A 12 -11.145 -14.056 -2.094 1.00 0.00 C ATOM 180 C VAL A 12 -12.583 -14.263 -2.572 1.00 0.00 C ATOM 181 O VAL A 12 -13.242 -13.316 -2.999 1.00 0.00 O ATOM 182 CB VAL A 12 -11.030 -13.943 -0.572 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.819 -15.056 0.120 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.565 -13.954 -0.131 1.00 0.00 C ATOM 0 H VAL A 12 -10.805 -11.993 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.576 -14.939 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.463 -12.989 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.721 -14.953 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.871 -14.983 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.428 -16.025 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.511 -13.873 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.096 -14.885 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.042 -13.112 -0.584 1.00 0.00 H new ATOM 194 N LYS A 13 -13.029 -15.508 -2.483 1.00 0.00 N ATOM 195 CA LYS A 13 -14.378 -15.851 -2.900 1.00 0.00 C ATOM 196 C LYS A 13 -15.140 -16.442 -1.713 1.00 0.00 C ATOM 197 O LYS A 13 -14.639 -17.337 -1.033 1.00 0.00 O ATOM 198 CB LYS A 13 -14.343 -16.766 -4.126 1.00 0.00 C ATOM 199 CG LYS A 13 -15.409 -16.360 -5.145 1.00 0.00 C ATOM 200 CD LYS A 13 -14.774 -16.022 -6.496 1.00 0.00 C ATOM 201 CE LYS A 13 -15.775 -16.219 -7.636 1.00 0.00 C ATOM 202 NZ LYS A 13 -16.742 -15.099 -7.677 1.00 0.00 N ATOM 0 H LYS A 13 -12.480 -16.291 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.919 -14.958 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.357 -16.722 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.504 -17.799 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.127 -17.171 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.963 -15.498 -4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.423 -14.990 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.901 -16.654 -6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.245 -16.284 -8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.306 -17.161 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.414 -15.249 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.261 -15.055 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.232 -14.205 -7.827 1.00 0.00 H new ATOM 216 N PRO A 14 -16.370 -15.905 -1.494 1.00 0.00 N ATOM 217 CA PRO A 14 -17.207 -16.369 -0.401 1.00 0.00 C ATOM 218 C PRO A 14 -17.821 -17.733 -0.722 1.00 0.00 C ATOM 219 O PRO A 14 -18.180 -18.003 -1.867 1.00 0.00 O ATOM 220 CB PRO A 14 -18.248 -15.278 -0.211 1.00 0.00 C ATOM 221 CG PRO A 14 -18.244 -14.470 -1.497 1.00 0.00 C ATOM 222 CD PRO A 14 -16.996 -14.844 -2.279 1.00 0.00 C ATOM 0 HA PRO A 14 -16.646 -16.529 0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.232 -15.706 -0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.004 -14.650 0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.139 -14.681 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.251 -13.402 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.246 -15.189 -3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.329 -13.989 -2.393 1.00 0.00 H new ATOM 230 N TRP A 15 -17.923 -18.559 0.310 1.00 0.00 N ATOM 231 CA TRP A 15 -18.488 -19.888 0.153 1.00 0.00 C ATOM 232 C TRP A 15 -19.875 -19.741 -0.478 1.00 0.00 C ATOM 233 O TRP A 15 -20.309 -20.602 -1.241 1.00 0.00 O ATOM 234 CB TRP A 15 -18.515 -20.634 1.488 1.00 0.00 C ATOM 235 CG TRP A 15 -17.452 -21.729 1.611 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.636 -21.974 2.644 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.121 -22.721 0.616 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.807 -23.047 2.391 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.112 -23.517 1.118 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.657 -22.940 -0.666 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.551 -24.584 0.407 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -17.086 -24.011 -1.363 1.00 0.00 C ATOM 243 CH2 TRP A 15 -16.069 -24.820 -0.872 1.00 0.00 C ATOM 0 H TRP A 15 -17.623 -18.333 1.258 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.868 -20.495 -0.507 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.378 -19.916 2.297 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.500 -21.081 1.623 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.628 -21.403 3.561 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.100 -23.426 3.021 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.447 -22.330 -1.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.761 -25.192 0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.463 -24.224 -2.353 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.680 -25.627 -1.474 1.00 0.00 H new ATOM 254 N ASP A 16 -20.531 -18.642 -0.136 1.00 0.00 N ATOM 255 CA ASP A 16 -21.860 -18.371 -0.658 1.00 0.00 C ATOM 256 C ASP A 16 -22.421 -17.117 0.014 1.00 0.00 C ATOM 257 O ASP A 16 -21.794 -16.554 0.910 1.00 0.00 O ATOM 258 CB ASP A 16 -22.813 -19.531 -0.367 1.00 0.00 C ATOM 259 CG ASP A 16 -23.248 -20.334 -1.595 1.00 0.00 C ATOM 260 OD1 ASP A 16 -22.651 -20.222 -2.676 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.261 -21.112 -1.408 1.00 0.00 O ATOM 0 H ASP A 16 -20.167 -17.929 0.496 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.778 -18.235 -1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.332 -20.208 0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.702 -19.136 0.124 1.00 0.00 H new ATOM 266 N ASP A 17 -23.599 -16.715 -0.444 1.00 0.00 N ATOM 267 CA ASP A 17 -24.252 -15.538 0.102 1.00 0.00 C ATOM 268 C ASP A 17 -24.217 -15.604 1.630 1.00 0.00 C ATOM 269 O ASP A 17 -24.179 -14.572 2.299 1.00 0.00 O ATOM 270 CB ASP A 17 -25.716 -15.468 -0.335 1.00 0.00 C ATOM 271 CG ASP A 17 -26.343 -16.811 -0.711 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.421 -17.667 0.251 1.00 0.00 O ATOM 273 OD2 ASP A 17 -26.737 -17.030 -1.867 1.00 0.00 O ATOM 0 H ASP A 17 -24.117 -17.184 -1.187 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.724 -14.658 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -26.300 -15.025 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.793 -14.796 -1.190 1.00 0.00 H new ATOM 278 N GLU A 18 -24.232 -16.828 2.139 1.00 0.00 N ATOM 279 CA GLU A 18 -24.203 -17.041 3.576 1.00 0.00 C ATOM 280 C GLU A 18 -22.953 -16.401 4.182 1.00 0.00 C ATOM 281 O GLU A 18 -23.016 -15.799 5.254 1.00 0.00 O ATOM 282 CB GLU A 18 -24.272 -18.533 3.910 1.00 0.00 C ATOM 283 CG GLU A 18 -23.021 -19.262 3.420 1.00 0.00 C ATOM 284 CD GLU A 18 -23.171 -20.777 3.578 1.00 0.00 C ATOM 285 OE1 GLU A 18 -22.784 -21.247 4.716 1.00 0.00 O ATOM 286 OE2 GLU A 18 -23.636 -21.454 2.650 1.00 0.00 O ATOM 0 H GLU A 18 -24.264 -17.682 1.582 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.080 -16.563 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.375 -18.664 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.157 -18.972 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.840 -19.018 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.152 -18.919 3.982 1.00 0.00 H new ATOM 293 N THR A 19 -21.846 -16.552 3.472 1.00 0.00 N ATOM 294 CA THR A 19 -20.583 -15.996 3.926 1.00 0.00 C ATOM 295 C THR A 19 -20.714 -14.490 4.155 1.00 0.00 C ATOM 296 O THR A 19 -20.602 -13.703 3.217 1.00 0.00 O ATOM 297 CB THR A 19 -19.507 -16.363 2.902 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.248 -17.742 3.150 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.170 -15.675 3.184 1.00 0.00 C ATOM 0 H THR A 19 -21.797 -17.052 2.584 1.00 0.00 H new ATOM 0 HA THR A 19 -20.292 -16.415 4.889 1.00 0.00 H new ATOM 0 HB THR A 19 -19.850 -16.093 1.903 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.846 -18.291 2.601 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.442 -15.970 2.428 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.304 -14.594 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.809 -15.970 4.169 1.00 0.00 H new ATOM 307 N ASP A 20 -20.952 -14.132 5.409 1.00 0.00 N ATOM 308 CA ASP A 20 -21.100 -12.733 5.773 1.00 0.00 C ATOM 309 C ASP A 20 -19.939 -11.930 5.183 1.00 0.00 C ATOM 310 O ASP A 20 -18.792 -12.095 5.597 1.00 0.00 O ATOM 311 CB ASP A 20 -21.076 -12.554 7.292 1.00 0.00 C ATOM 312 CG ASP A 20 -22.354 -11.967 7.895 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.531 -10.708 7.676 1.00 0.00 O ATOM 314 OD2 ASP A 20 -23.139 -12.676 8.540 1.00 0.00 O ATOM 0 H ASP A 20 -21.046 -14.787 6.185 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.056 -12.383 5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.886 -13.523 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -20.239 -11.907 7.553 1.00 0.00 H new ATOM 319 N MET A 21 -20.276 -11.079 4.225 1.00 0.00 N ATOM 320 CA MET A 21 -19.275 -10.251 3.574 1.00 0.00 C ATOM 321 C MET A 21 -18.760 -9.167 4.523 1.00 0.00 C ATOM 322 O MET A 21 -17.616 -8.729 4.407 1.00 0.00 O ATOM 323 CB MET A 21 -19.884 -9.596 2.333 1.00 0.00 C ATOM 324 CG MET A 21 -20.515 -10.644 1.413 1.00 0.00 C ATOM 325 SD MET A 21 -19.247 -11.692 0.722 1.00 0.00 S ATOM 326 CE MET A 21 -18.916 -10.818 -0.799 1.00 0.00 C ATOM 0 H MET A 21 -21.228 -10.945 3.884 1.00 0.00 H new ATOM 0 HA MET A 21 -18.436 -10.885 3.287 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.639 -8.870 2.634 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.113 -9.048 1.791 1.00 0.00 H new ATOM 0 HG2 MET A 21 -21.232 -11.246 1.972 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.068 -10.152 0.613 1.00 0.00 H new ATOM 0 HE1 MET A 21 -17.945 -11.122 -1.189 1.00 0.00 H new ATOM 0 HE2 MET A 21 -19.690 -11.053 -1.529 1.00 0.00 H new ATOM 0 HE3 MET A 21 -18.910 -9.745 -0.608 1.00 0.00 H new ATOM 336 N ALA A 22 -19.628 -8.765 5.438 1.00 0.00 N ATOM 337 CA ALA A 22 -19.275 -7.740 6.407 1.00 0.00 C ATOM 338 C ALA A 22 -18.207 -8.288 7.356 1.00 0.00 C ATOM 339 O ALA A 22 -17.317 -7.555 7.784 1.00 0.00 O ATOM 340 CB ALA A 22 -20.533 -7.281 7.146 1.00 0.00 C ATOM 0 H ALA A 22 -20.576 -9.130 5.530 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.855 -6.867 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.268 -6.513 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.247 -6.873 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.981 -8.130 7.663 1.00 0.00 H new ATOM 346 N LYS A 23 -18.331 -9.572 7.657 1.00 0.00 N ATOM 347 CA LYS A 23 -17.388 -10.226 8.548 1.00 0.00 C ATOM 348 C LYS A 23 -16.124 -10.591 7.766 1.00 0.00 C ATOM 349 O LYS A 23 -15.011 -10.375 8.243 1.00 0.00 O ATOM 350 CB LYS A 23 -18.047 -11.420 9.243 1.00 0.00 C ATOM 351 CG LYS A 23 -17.319 -11.766 10.544 1.00 0.00 C ATOM 352 CD LYS A 23 -16.217 -12.800 10.297 1.00 0.00 C ATOM 353 CE LYS A 23 -15.458 -13.110 11.588 1.00 0.00 C ATOM 354 NZ LYS A 23 -16.287 -13.945 12.488 1.00 0.00 N ATOM 0 H LYS A 23 -19.070 -10.177 7.300 1.00 0.00 H new ATOM 0 HA LYS A 23 -17.086 -9.549 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.091 -11.191 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.039 -12.283 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.886 -10.863 10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.031 -12.155 11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.655 -13.716 9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.524 -12.425 9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.528 -13.629 11.355 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.188 -12.181 12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.723 -14.231 13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.113 -13.399 12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.608 -14.792 11.978 1.00 0.00 H new ATOM 368 N LEU A 24 -16.338 -11.138 6.578 1.00 0.00 N ATOM 369 CA LEU A 24 -15.230 -11.536 5.726 1.00 0.00 C ATOM 370 C LEU A 24 -14.410 -10.299 5.356 1.00 0.00 C ATOM 371 O LEU A 24 -13.184 -10.361 5.288 1.00 0.00 O ATOM 372 CB LEU A 24 -15.740 -12.322 4.517 1.00 0.00 C ATOM 373 CG LEU A 24 -14.960 -13.589 4.164 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.603 -14.318 2.982 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.485 -13.272 3.907 1.00 0.00 C ATOM 0 H LEU A 24 -17.263 -11.315 6.185 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.563 -12.214 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.779 -12.598 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.733 -11.661 3.650 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.000 -14.263 5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.029 -15.215 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.625 -14.597 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.614 -13.661 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.953 -14.190 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.403 -12.569 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.047 -12.830 4.802 1.00 0.00 H new ATOM 387 N GLU A 25 -15.120 -9.204 5.123 1.00 0.00 N ATOM 388 CA GLU A 25 -14.473 -7.955 4.760 1.00 0.00 C ATOM 389 C GLU A 25 -13.820 -7.319 5.990 1.00 0.00 C ATOM 390 O GLU A 25 -12.761 -6.701 5.885 1.00 0.00 O ATOM 391 CB GLU A 25 -15.466 -6.992 4.107 1.00 0.00 C ATOM 392 CG GLU A 25 -14.738 -5.830 3.429 1.00 0.00 C ATOM 393 CD GLU A 25 -15.401 -4.494 3.771 1.00 0.00 C ATOM 394 OE1 GLU A 25 -15.401 -4.084 4.942 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.929 -3.875 2.770 1.00 0.00 O ATOM 0 H GLU A 25 -16.137 -9.157 5.179 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.694 -8.171 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.067 -7.527 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.152 -6.606 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.695 -5.815 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.740 -5.975 2.349 1.00 0.00 H new ATOM 402 N GLU A 26 -14.478 -7.492 7.126 1.00 0.00 N ATOM 403 CA GLU A 26 -13.976 -6.943 8.373 1.00 0.00 C ATOM 404 C GLU A 26 -12.803 -7.779 8.888 1.00 0.00 C ATOM 405 O GLU A 26 -11.713 -7.255 9.113 1.00 0.00 O ATOM 406 CB GLU A 26 -15.087 -6.855 9.421 1.00 0.00 C ATOM 407 CG GLU A 26 -14.506 -6.817 10.835 1.00 0.00 C ATOM 408 CD GLU A 26 -15.305 -5.869 11.733 1.00 0.00 C ATOM 409 OE1 GLU A 26 -15.505 -4.698 11.374 1.00 0.00 O ATOM 410 OE2 GLU A 26 -15.725 -6.386 12.837 1.00 0.00 O ATOM 0 H GLU A 26 -15.356 -8.005 7.209 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.620 -5.931 8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.686 -5.962 9.246 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.754 -7.711 9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.513 -7.820 11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.465 -6.495 10.796 1.00 0.00 H new ATOM 417 N CYS A 27 -13.066 -9.067 9.059 1.00 0.00 N ATOM 418 CA CYS A 27 -12.045 -9.981 9.543 1.00 0.00 C ATOM 419 C CYS A 27 -10.738 -9.673 8.809 1.00 0.00 C ATOM 420 O CYS A 27 -9.705 -9.457 9.441 1.00 0.00 O ATOM 421 CB CYS A 27 -12.467 -11.442 9.369 1.00 0.00 C ATOM 422 SG CYS A 27 -11.342 -12.533 10.314 1.00 0.00 S ATOM 0 H CYS A 27 -13.971 -9.499 8.871 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.901 -9.837 10.614 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.492 -11.577 9.713 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.447 -11.712 8.313 1.00 0.00 H new ATOM 0 HG CYS A 27 -10.190 -11.948 10.459 1.00 0.00 H new ATOM 428 N VAL A 28 -10.826 -9.662 7.488 1.00 0.00 N ATOM 429 CA VAL A 28 -9.663 -9.384 6.663 1.00 0.00 C ATOM 430 C VAL A 28 -8.999 -8.092 7.144 1.00 0.00 C ATOM 431 O VAL A 28 -7.772 -8.001 7.191 1.00 0.00 O ATOM 432 CB VAL A 28 -10.068 -9.334 5.188 1.00 0.00 C ATOM 433 CG1 VAL A 28 -9.018 -8.595 4.356 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.314 -10.740 4.639 1.00 0.00 C ATOM 0 H VAL A 28 -11.685 -9.841 6.968 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.928 -10.183 6.758 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.003 -8.779 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.330 -8.574 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.914 -7.574 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.061 -9.110 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.600 -10.676 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.403 -11.331 4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.114 -11.217 5.205 1.00 0.00 H new ATOM 444 N ARG A 29 -9.837 -7.126 7.490 1.00 0.00 N ATOM 445 CA ARG A 29 -9.346 -5.844 7.966 1.00 0.00 C ATOM 446 C ARG A 29 -8.785 -5.984 9.384 1.00 0.00 C ATOM 447 O ARG A 29 -7.742 -5.415 9.701 1.00 0.00 O ATOM 448 CB ARG A 29 -10.458 -4.795 7.966 1.00 0.00 C ATOM 449 CG ARG A 29 -10.484 -4.024 6.644 1.00 0.00 C ATOM 450 CD ARG A 29 -10.518 -2.514 6.891 1.00 0.00 C ATOM 451 NE ARG A 29 -10.941 -1.809 5.660 1.00 0.00 N ATOM 452 CZ ARG A 29 -12.172 -1.887 5.136 1.00 0.00 C ATOM 453 NH1 ARG A 29 -13.108 -2.637 5.732 1.00 0.00 N ATOM 454 NH2 ARG A 29 -12.466 -1.213 4.015 1.00 0.00 N ATOM 0 H ARG A 29 -10.853 -7.205 7.450 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.556 -5.519 7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.421 -5.280 8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.308 -4.101 8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.605 -4.280 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.357 -4.321 6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.206 -2.286 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.532 -2.165 7.199 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.253 -1.228 5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.884 -3.149 6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.045 -2.696 5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.753 -0.642 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.403 -1.272 3.615 1.00 0.00 H new ATOM 468 N SER A 30 -9.503 -6.745 10.197 1.00 0.00 N ATOM 469 CA SER A 30 -9.091 -6.966 11.572 1.00 0.00 C ATOM 470 C SER A 30 -7.623 -7.397 11.615 1.00 0.00 C ATOM 471 O SER A 30 -6.920 -7.122 12.587 1.00 0.00 O ATOM 472 CB SER A 30 -9.973 -8.018 12.250 1.00 0.00 C ATOM 473 OG SER A 30 -9.422 -9.327 12.138 1.00 0.00 O ATOM 0 H SER A 30 -10.367 -7.216 9.930 1.00 0.00 H new ATOM 0 HA SER A 30 -9.205 -6.029 12.118 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.095 -7.765 13.303 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.966 -8.003 11.801 1.00 0.00 H new ATOM 0 HG SER A 30 -9.437 -9.609 11.200 1.00 0.00 H new ATOM 479 N ILE A 31 -7.204 -8.067 10.552 1.00 0.00 N ATOM 480 CA ILE A 31 -5.833 -8.538 10.457 1.00 0.00 C ATOM 481 C ILE A 31 -4.880 -7.346 10.564 1.00 0.00 C ATOM 482 O ILE A 31 -5.025 -6.362 9.839 1.00 0.00 O ATOM 483 CB ILE A 31 -5.639 -9.368 9.185 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.559 -10.590 9.183 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.171 -9.755 9.002 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.650 -11.205 7.785 1.00 0.00 C ATOM 0 H ILE A 31 -7.790 -8.295 9.749 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.602 -9.207 11.286 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.919 -8.753 8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.185 -11.333 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.554 -10.301 9.523 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.061 -10.344 8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.564 -8.853 8.927 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.841 -10.344 9.857 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.310 -12.072 7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.048 -10.467 7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.657 -11.515 7.458 1.00 0.00 H new ATOM 498 N GLN A 32 -3.926 -7.473 11.474 1.00 0.00 N ATOM 499 CA GLN A 32 -2.949 -6.418 11.687 1.00 0.00 C ATOM 500 C GLN A 32 -1.643 -7.005 12.227 1.00 0.00 C ATOM 501 O GLN A 32 -1.638 -7.668 13.263 1.00 0.00 O ATOM 502 CB GLN A 32 -3.498 -5.344 12.627 1.00 0.00 C ATOM 503 CG GLN A 32 -3.408 -3.957 11.987 1.00 0.00 C ATOM 504 CD GLN A 32 -4.733 -3.202 12.125 1.00 0.00 C ATOM 505 OE1 GLN A 32 -5.785 -3.664 11.717 1.00 0.00 O ATOM 506 NE2 GLN A 32 -4.621 -2.019 12.723 1.00 0.00 N ATOM 0 H GLN A 32 -3.808 -8.290 12.073 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.741 -5.943 10.728 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.536 -5.568 12.874 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.938 -5.354 13.562 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.609 -3.386 12.459 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.149 -4.055 10.933 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.708 -1.692 13.041 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.448 -1.438 12.864 1.00 0.00 H new ATOM 515 N ALA A 33 -0.567 -6.740 11.500 1.00 0.00 N ATOM 516 CA ALA A 33 0.741 -7.233 11.893 1.00 0.00 C ATOM 517 C ALA A 33 1.765 -6.103 11.773 1.00 0.00 C ATOM 518 O ALA A 33 1.557 -5.149 11.025 1.00 0.00 O ATOM 519 CB ALA A 33 1.109 -8.447 11.036 1.00 0.00 C ATOM 0 H ALA A 33 -0.575 -6.190 10.641 1.00 0.00 H new ATOM 0 HA ALA A 33 0.731 -7.559 12.933 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.091 -8.817 11.331 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.367 -9.232 11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.131 -8.157 9.985 1.00 0.00 H new ATOM 525 N ASP A 34 2.850 -6.248 12.521 1.00 0.00 N ATOM 526 CA ASP A 34 3.906 -5.250 12.508 1.00 0.00 C ATOM 527 C ASP A 34 4.441 -5.100 11.082 1.00 0.00 C ATOM 528 O ASP A 34 4.837 -6.081 10.456 1.00 0.00 O ATOM 529 CB ASP A 34 5.071 -5.670 13.408 1.00 0.00 C ATOM 530 CG ASP A 34 6.241 -4.686 13.450 1.00 0.00 C ATOM 531 OD1 ASP A 34 6.067 -3.664 14.219 1.00 0.00 O ATOM 532 OD2 ASP A 34 7.268 -4.886 12.784 1.00 0.00 O ATOM 0 H ASP A 34 3.020 -7.041 13.139 1.00 0.00 H new ATOM 0 HA ASP A 34 3.489 -4.311 12.872 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.696 -5.809 14.422 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.441 -6.638 13.070 1.00 0.00 H new ATOM 537 N GLY A 35 4.435 -3.861 10.611 1.00 0.00 N ATOM 538 CA GLY A 35 4.914 -3.569 9.271 1.00 0.00 C ATOM 539 C GLY A 35 3.787 -3.698 8.244 1.00 0.00 C ATOM 540 O GLY A 35 3.878 -3.154 7.145 1.00 0.00 O ATOM 0 H GLY A 35 4.106 -3.049 11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.325 -2.560 9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.724 -4.251 9.014 1.00 0.00 H new ATOM 544 N LEU A 36 2.751 -4.422 8.640 1.00 0.00 N ATOM 545 CA LEU A 36 1.607 -4.631 7.768 1.00 0.00 C ATOM 546 C LEU A 36 0.571 -3.534 8.023 1.00 0.00 C ATOM 547 O LEU A 36 0.264 -3.220 9.172 1.00 0.00 O ATOM 548 CB LEU A 36 1.056 -6.049 7.936 1.00 0.00 C ATOM 549 CG LEU A 36 -0.393 -6.262 7.495 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.495 -6.355 5.972 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.003 -7.482 8.186 1.00 0.00 C ATOM 0 H LEU A 36 2.679 -4.871 9.553 1.00 0.00 H new ATOM 0 HA LEU A 36 1.905 -4.552 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.691 -6.733 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.140 -6.328 8.986 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.975 -5.393 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.536 -6.506 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.126 -5.431 5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.104 -7.194 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.033 -7.610 7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.426 -8.371 7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.985 -7.335 9.266 1.00 0.00 H new ATOM 563 N VAL A 37 0.060 -2.983 6.932 1.00 0.00 N ATOM 564 CA VAL A 37 -0.936 -1.927 7.023 1.00 0.00 C ATOM 565 C VAL A 37 -1.994 -2.136 5.939 1.00 0.00 C ATOM 566 O VAL A 37 -1.673 -2.540 4.822 1.00 0.00 O ATOM 567 CB VAL A 37 -0.256 -0.559 6.940 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.284 0.549 6.702 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.570 -0.279 8.197 1.00 0.00 C ATOM 0 H VAL A 37 0.316 -3.247 5.981 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.446 -1.964 7.986 1.00 0.00 H new ATOM 0 HB VAL A 37 0.425 -0.574 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.775 1.511 6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.810 0.362 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.000 0.564 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.042 0.700 8.111 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.081 -0.292 9.071 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.338 -1.044 8.305 1.00 0.00 H new ATOM 579 N TRP A 38 -3.235 -1.852 6.306 1.00 0.00 N ATOM 580 CA TRP A 38 -4.343 -2.003 5.377 1.00 0.00 C ATOM 581 C TRP A 38 -4.525 -0.677 4.637 1.00 0.00 C ATOM 582 O TRP A 38 -3.733 0.248 4.810 1.00 0.00 O ATOM 583 CB TRP A 38 -5.608 -2.460 6.106 1.00 0.00 C ATOM 584 CG TRP A 38 -5.649 -3.961 6.403 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.556 -4.569 7.593 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.796 -5.025 5.438 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.633 -5.941 7.467 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.785 -6.227 6.116 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.937 -4.973 4.040 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.907 -7.467 5.478 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -6.059 -6.220 3.418 1.00 0.00 C ATOM 592 CH2 TRP A 38 -6.048 -7.440 4.085 1.00 0.00 C ATOM 0 H TRP A 38 -3.498 -1.518 7.233 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.130 -2.782 4.645 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.692 -1.912 7.045 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.477 -2.196 5.504 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.436 -4.051 8.533 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.587 -6.620 8.226 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.950 -4.044 3.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.893 -8.395 6.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.170 -6.236 2.344 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.148 -8.362 3.532 1.00 0.00 H new ATOM 603 N GLY A 39 -5.573 -0.626 3.830 1.00 0.00 N ATOM 604 CA GLY A 39 -5.869 0.572 3.063 1.00 0.00 C ATOM 605 C GLY A 39 -7.374 0.707 2.815 1.00 0.00 C ATOM 606 O GLY A 39 -8.046 1.500 3.473 1.00 0.00 O ATOM 0 H GLY A 39 -6.228 -1.395 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.505 1.449 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.341 0.537 2.110 1.00 0.00 H new ATOM 610 N SER A 40 -7.857 -0.080 1.865 1.00 0.00 N ATOM 611 CA SER A 40 -9.269 -0.058 1.523 1.00 0.00 C ATOM 612 C SER A 40 -9.604 -1.236 0.607 1.00 0.00 C ATOM 613 O SER A 40 -8.933 -1.455 -0.401 1.00 0.00 O ATOM 614 CB SER A 40 -9.653 1.263 0.850 1.00 0.00 C ATOM 615 OG SER A 40 -10.507 2.052 1.673 1.00 0.00 O ATOM 0 H SER A 40 -7.296 -0.736 1.322 1.00 0.00 H new ATOM 0 HA SER A 40 -9.845 -0.147 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.750 1.828 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.152 1.056 -0.097 1.00 0.00 H new ATOM 0 HG SER A 40 -10.078 2.202 2.541 1.00 0.00 H new ATOM 621 N SER A 41 -10.642 -1.966 0.990 1.00 0.00 N ATOM 622 CA SER A 41 -11.074 -3.117 0.215 1.00 0.00 C ATOM 623 C SER A 41 -12.067 -2.680 -0.864 1.00 0.00 C ATOM 624 O SER A 41 -12.585 -1.565 -0.820 1.00 0.00 O ATOM 625 CB SER A 41 -11.704 -4.181 1.116 1.00 0.00 C ATOM 626 OG SER A 41 -12.885 -3.708 1.757 1.00 0.00 O ATOM 0 H SER A 41 -11.196 -1.783 1.827 1.00 0.00 H new ATOM 0 HA SER A 41 -10.198 -3.555 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.943 -5.063 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.981 -4.491 1.871 1.00 0.00 H new ATOM 0 HG SER A 41 -12.833 -3.895 2.718 1.00 0.00 H new ATOM 632 N LYS A 42 -12.302 -3.581 -1.805 1.00 0.00 N ATOM 633 CA LYS A 42 -13.224 -3.302 -2.894 1.00 0.00 C ATOM 634 C LYS A 42 -14.239 -4.442 -3.002 1.00 0.00 C ATOM 635 O LYS A 42 -13.983 -5.551 -2.537 1.00 0.00 O ATOM 636 CB LYS A 42 -12.457 -3.037 -4.191 1.00 0.00 C ATOM 637 CG LYS A 42 -11.175 -2.246 -3.918 1.00 0.00 C ATOM 638 CD LYS A 42 -10.609 -1.656 -5.211 1.00 0.00 C ATOM 639 CE LYS A 42 -11.559 -0.609 -5.797 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.961 0.742 -5.705 1.00 0.00 N ATOM 0 H LYS A 42 -11.871 -4.505 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.787 -2.391 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.209 -3.984 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.089 -2.483 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.382 -1.445 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.433 -2.897 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.638 -1.201 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.446 -2.452 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.775 -0.848 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.508 -0.630 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.618 1.441 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.777 0.973 -4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.067 0.763 -6.236 1.00 0.00 H new ATOM 654 N LEU A 43 -15.369 -4.129 -3.617 1.00 0.00 N ATOM 655 CA LEU A 43 -16.424 -5.112 -3.793 1.00 0.00 C ATOM 656 C LEU A 43 -16.734 -5.262 -5.283 1.00 0.00 C ATOM 657 O LEU A 43 -16.560 -4.320 -6.055 1.00 0.00 O ATOM 658 CB LEU A 43 -17.643 -4.747 -2.944 1.00 0.00 C ATOM 659 CG LEU A 43 -17.738 -5.427 -1.577 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.673 -6.949 -1.716 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.668 -4.892 -0.624 1.00 0.00 C ATOM 0 H LEU A 43 -15.578 -3.207 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.097 -6.089 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.644 -3.668 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.542 -4.990 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.707 -5.185 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.743 -7.408 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.501 -7.293 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.729 -7.232 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.757 -5.392 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.680 -5.084 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.803 -3.819 -0.491 1.00 0.00 H new ATOM 673 N VAL A 44 -17.188 -6.453 -5.644 1.00 0.00 N ATOM 674 CA VAL A 44 -17.524 -6.738 -7.028 1.00 0.00 C ATOM 675 C VAL A 44 -18.614 -7.812 -7.074 1.00 0.00 C ATOM 676 O VAL A 44 -18.327 -8.998 -6.926 1.00 0.00 O ATOM 677 CB VAL A 44 -16.265 -7.132 -7.802 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.596 -7.453 -9.261 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.200 -6.037 -7.710 1.00 0.00 C ATOM 0 H VAL A 44 -17.331 -7.232 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 44 -17.924 -5.848 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.859 -8.034 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.683 -7.730 -9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.303 -8.281 -9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.037 -6.576 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.315 -6.342 -8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -15.593 -5.111 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -14.932 -5.877 -6.666 1.00 0.00 H new ATOM 689 N PRO A 45 -19.873 -7.344 -7.283 1.00 0.00 N ATOM 690 CA PRO A 45 -21.006 -8.251 -7.350 1.00 0.00 C ATOM 691 C PRO A 45 -21.028 -9.005 -8.681 1.00 0.00 C ATOM 692 O PRO A 45 -20.710 -8.438 -9.725 1.00 0.00 O ATOM 693 CB PRO A 45 -22.228 -7.369 -7.148 1.00 0.00 C ATOM 694 CG PRO A 45 -21.771 -5.949 -7.440 1.00 0.00 C ATOM 695 CD PRO A 45 -20.250 -5.945 -7.463 1.00 0.00 C ATOM 0 HA PRO A 45 -20.964 -9.032 -6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.037 -7.664 -7.816 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.608 -7.455 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.168 -5.609 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.143 -5.264 -6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.869 -5.550 -8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.844 -5.320 -6.668 1.00 0.00 H new ATOM 703 N VAL A 46 -21.405 -10.272 -8.601 1.00 0.00 N ATOM 704 CA VAL A 46 -21.472 -11.110 -9.785 1.00 0.00 C ATOM 705 C VAL A 46 -22.860 -10.983 -10.417 1.00 0.00 C ATOM 706 O VAL A 46 -22.990 -10.522 -11.550 1.00 0.00 O ATOM 707 CB VAL A 46 -21.108 -12.552 -9.427 1.00 0.00 C ATOM 708 CG1 VAL A 46 -21.331 -13.486 -10.619 1.00 0.00 C ATOM 709 CG2 VAL A 46 -19.668 -12.644 -8.921 1.00 0.00 C ATOM 0 H VAL A 46 -21.668 -10.739 -7.733 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.745 -10.780 -10.528 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.768 -12.874 -8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.065 -14.505 -10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.379 -13.454 -10.915 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.708 -13.165 -11.454 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -19.435 -13.680 -8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -18.987 -12.294 -9.697 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.555 -12.024 -8.032 1.00 0.00 H new ATOM 719 N GLY A 47 -23.861 -11.401 -9.656 1.00 0.00 N ATOM 720 CA GLY A 47 -25.235 -11.340 -10.128 1.00 0.00 C ATOM 721 C GLY A 47 -26.133 -10.635 -9.109 1.00 0.00 C ATOM 722 O GLY A 47 -26.249 -9.410 -9.121 1.00 0.00 O ATOM 0 H GLY A 47 -23.749 -11.783 -8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.273 -10.810 -11.080 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -25.606 -12.349 -10.309 1.00 0.00 H new ATOM 726 N TYR A 48 -26.745 -11.438 -8.252 1.00 0.00 N ATOM 727 CA TYR A 48 -27.630 -10.907 -7.229 1.00 0.00 C ATOM 728 C TYR A 48 -27.735 -11.868 -6.043 1.00 0.00 C ATOM 729 O TYR A 48 -28.629 -12.713 -6.001 1.00 0.00 O ATOM 730 CB TYR A 48 -29.005 -10.775 -7.886 1.00 0.00 C ATOM 731 CG TYR A 48 -29.419 -9.331 -8.178 1.00 0.00 C ATOM 732 CD1 TYR A 48 -29.821 -8.507 -7.147 1.00 0.00 C ATOM 733 CD2 TYR A 48 -29.389 -8.853 -9.472 1.00 0.00 C ATOM 734 CE1 TYR A 48 -30.211 -7.149 -7.421 1.00 0.00 C ATOM 735 CE2 TYR A 48 -29.778 -7.494 -9.747 1.00 0.00 C ATOM 736 CZ TYR A 48 -30.171 -6.709 -8.708 1.00 0.00 C ATOM 737 OH TYR A 48 -30.539 -5.426 -8.967 1.00 0.00 O ATOM 0 H TYR A 48 -26.646 -12.453 -8.245 1.00 0.00 H new ATOM 0 HA TYR A 48 -27.254 -9.955 -6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -29.006 -11.338 -8.819 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -29.752 -11.232 -7.237 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -29.843 -8.881 -6.134 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -29.074 -9.498 -10.279 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -30.528 -6.494 -6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -29.758 -7.107 -10.755 1.00 0.00 H new ATOM 0 HH TYR A 48 -30.460 -5.251 -9.928 1.00 0.00 H new ATOM 747 N GLY A 49 -26.811 -11.707 -5.107 1.00 0.00 N ATOM 748 CA GLY A 49 -26.789 -12.550 -3.925 1.00 0.00 C ATOM 749 C GLY A 49 -25.361 -12.730 -3.406 1.00 0.00 C ATOM 750 O GLY A 49 -25.101 -12.557 -2.216 1.00 0.00 O ATOM 0 H GLY A 49 -26.072 -11.005 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.410 -12.107 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.220 -13.523 -4.160 1.00 0.00 H new ATOM 754 N ILE A 50 -24.471 -13.076 -4.325 1.00 0.00 N ATOM 755 CA ILE A 50 -23.076 -13.282 -3.976 1.00 0.00 C ATOM 756 C ILE A 50 -22.258 -12.070 -4.426 1.00 0.00 C ATOM 757 O ILE A 50 -22.707 -11.290 -5.264 1.00 0.00 O ATOM 758 CB ILE A 50 -22.571 -14.610 -4.545 1.00 0.00 C ATOM 759 CG1 ILE A 50 -23.199 -15.795 -3.809 1.00 0.00 C ATOM 760 CG2 ILE A 50 -21.042 -14.668 -4.527 1.00 0.00 C ATOM 761 CD1 ILE A 50 -24.294 -16.447 -4.654 1.00 0.00 C ATOM 0 H ILE A 50 -24.689 -13.219 -5.311 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.962 -13.361 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.883 -14.677 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.430 -16.531 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.618 -15.458 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.709 -15.622 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.640 -13.854 -5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.686 -14.570 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.724 -17.286 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -25.073 -15.715 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.866 -16.805 -5.591 1.00 0.00 H new ATOM 773 N LYS A 51 -21.071 -11.951 -3.849 1.00 0.00 N ATOM 774 CA LYS A 51 -20.185 -10.846 -4.181 1.00 0.00 C ATOM 775 C LYS A 51 -18.733 -11.291 -3.999 1.00 0.00 C ATOM 776 O LYS A 51 -18.469 -12.324 -3.387 1.00 0.00 O ATOM 777 CB LYS A 51 -20.554 -9.602 -3.369 1.00 0.00 C ATOM 778 CG LYS A 51 -21.232 -8.554 -4.253 1.00 0.00 C ATOM 779 CD LYS A 51 -21.960 -7.509 -3.403 1.00 0.00 C ATOM 780 CE LYS A 51 -22.108 -6.189 -4.164 1.00 0.00 C ATOM 781 NZ LYS A 51 -21.991 -5.041 -3.238 1.00 0.00 N ATOM 0 H LYS A 51 -20.702 -12.600 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.303 -10.563 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.220 -9.880 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.657 -9.178 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.487 -8.064 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.941 -9.041 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.945 -7.884 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.409 -7.340 -2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.342 -6.120 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.074 -6.160 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.094 -4.154 -3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.737 -5.100 -2.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.060 -5.061 -2.776 1.00 0.00 H new ATOM 795 N LYS A 52 -17.830 -10.487 -4.542 1.00 0.00 N ATOM 796 CA LYS A 52 -16.411 -10.785 -4.447 1.00 0.00 C ATOM 797 C LYS A 52 -15.869 -10.253 -3.119 1.00 0.00 C ATOM 798 O LYS A 52 -16.431 -9.321 -2.545 1.00 0.00 O ATOM 799 CB LYS A 52 -15.668 -10.249 -5.673 1.00 0.00 C ATOM 800 CG LYS A 52 -14.846 -11.352 -6.341 1.00 0.00 C ATOM 801 CD LYS A 52 -14.155 -10.833 -7.604 1.00 0.00 C ATOM 802 CE LYS A 52 -13.947 -11.959 -8.619 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.270 -11.447 -9.831 1.00 0.00 N ATOM 0 H LYS A 52 -18.053 -9.630 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.248 -11.863 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.384 -9.841 -6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.012 -9.431 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.099 -11.728 -5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.495 -12.190 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.756 -10.041 -8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.193 -10.393 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.351 -12.754 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.909 -12.395 -8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.137 -12.224 -10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.853 -10.704 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.344 -11.052 -9.571 1.00 0.00 H new ATOM 817 N LEU A 53 -14.786 -10.867 -2.669 1.00 0.00 N ATOM 818 CA LEU A 53 -14.163 -10.467 -1.419 1.00 0.00 C ATOM 819 C LEU A 53 -12.758 -9.931 -1.703 1.00 0.00 C ATOM 820 O LEU A 53 -11.770 -10.486 -1.227 1.00 0.00 O ATOM 821 CB LEU A 53 -14.190 -11.620 -0.413 1.00 0.00 C ATOM 822 CG LEU A 53 -14.823 -11.311 0.945 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.981 -10.299 1.725 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.271 -10.848 0.781 1.00 0.00 C ATOM 0 H LEU A 53 -14.323 -11.640 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.726 -9.657 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.729 -12.454 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.166 -11.955 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.844 -12.230 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.453 -10.097 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.983 -10.706 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.906 -9.372 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.698 -10.635 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.298 -9.946 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.851 -11.633 0.295 1.00 0.00 H new ATOM 836 N GLN A 54 -12.716 -8.857 -2.477 1.00 0.00 N ATOM 837 CA GLN A 54 -11.448 -8.238 -2.829 1.00 0.00 C ATOM 838 C GLN A 54 -11.050 -7.204 -1.776 1.00 0.00 C ATOM 839 O GLN A 54 -11.890 -6.436 -1.306 1.00 0.00 O ATOM 840 CB GLN A 54 -11.516 -7.606 -4.222 1.00 0.00 C ATOM 841 CG GLN A 54 -10.259 -6.783 -4.511 1.00 0.00 C ATOM 842 CD GLN A 54 -9.821 -6.945 -5.969 1.00 0.00 C ATOM 843 OE1 GLN A 54 -9.025 -7.803 -6.313 1.00 0.00 O ATOM 844 NE2 GLN A 54 -10.385 -6.075 -6.802 1.00 0.00 N ATOM 0 H GLN A 54 -13.538 -8.399 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.682 -9.013 -2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.625 -8.387 -4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.397 -6.968 -4.294 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.452 -5.731 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.453 -7.098 -3.848 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.044 -5.382 -6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.159 -6.101 -7.796 1.00 0.00 H new ATOM 853 N ILE A 55 -9.770 -7.216 -1.435 1.00 0.00 N ATOM 854 CA ILE A 55 -9.251 -6.288 -0.444 1.00 0.00 C ATOM 855 C ILE A 55 -7.829 -5.878 -0.832 1.00 0.00 C ATOM 856 O ILE A 55 -7.076 -6.680 -1.383 1.00 0.00 O ATOM 857 CB ILE A 55 -9.357 -6.887 0.960 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.088 -7.661 1.323 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.613 -7.750 1.094 1.00 0.00 C ATOM 860 CD1 ILE A 55 -8.148 -9.094 0.792 1.00 0.00 C ATOM 0 H ILE A 55 -9.077 -7.853 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.851 -5.379 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.451 -6.069 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.217 -7.153 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.964 -7.676 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.664 -8.164 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.496 -7.139 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.575 -8.563 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.234 -9.621 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.006 -9.607 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.247 -9.076 -0.293 1.00 0.00 H new ATOM 872 N GLN A 56 -7.503 -4.630 -0.529 1.00 0.00 N ATOM 873 CA GLN A 56 -6.185 -4.103 -0.840 1.00 0.00 C ATOM 874 C GLN A 56 -5.429 -3.773 0.449 1.00 0.00 C ATOM 875 O GLN A 56 -6.023 -3.303 1.419 1.00 0.00 O ATOM 876 CB GLN A 56 -6.284 -2.877 -1.747 1.00 0.00 C ATOM 877 CG GLN A 56 -4.895 -2.381 -2.154 1.00 0.00 C ATOM 878 CD GLN A 56 -4.378 -3.140 -3.377 1.00 0.00 C ATOM 879 OE1 GLN A 56 -4.827 -2.947 -4.495 1.00 0.00 O ATOM 880 NE2 GLN A 56 -3.412 -4.013 -3.104 1.00 0.00 N ATOM 0 H GLN A 56 -8.129 -3.968 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.627 -4.868 -1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.861 -3.125 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.821 -2.081 -1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.936 -1.314 -2.374 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.202 -2.508 -1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.082 -4.125 -2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.001 -4.570 -3.853 1.00 0.00 H new ATOM 889 N CYS A 57 -4.130 -4.031 0.418 1.00 0.00 N ATOM 890 CA CYS A 57 -3.286 -3.767 1.571 1.00 0.00 C ATOM 891 C CYS A 57 -1.992 -3.117 1.080 1.00 0.00 C ATOM 892 O CYS A 57 -1.794 -2.948 -0.122 1.00 0.00 O ATOM 893 CB CYS A 57 -3.017 -5.038 2.378 1.00 0.00 C ATOM 894 SG CYS A 57 -2.455 -6.379 1.265 1.00 0.00 S ATOM 0 H CYS A 57 -3.641 -4.420 -0.388 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.797 -3.086 2.251 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.260 -4.843 3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.922 -5.344 2.902 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.982 -6.215 0.088 1.00 0.00 H new ATOM 900 N VAL A 58 -1.142 -2.770 2.036 1.00 0.00 N ATOM 901 CA VAL A 58 0.129 -2.142 1.717 1.00 0.00 C ATOM 902 C VAL A 58 1.239 -2.800 2.537 1.00 0.00 C ATOM 903 O VAL A 58 1.609 -2.303 3.599 1.00 0.00 O ATOM 904 CB VAL A 58 0.036 -0.631 1.939 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.299 0.075 1.440 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.214 -0.054 1.272 1.00 0.00 C ATOM 0 H VAL A 58 -1.309 -2.912 3.032 1.00 0.00 H new ATOM 0 HA VAL A 58 0.374 -2.288 0.665 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.045 -0.455 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.207 1.148 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.166 -0.305 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.425 -0.114 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.255 1.021 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.177 -0.248 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.102 -0.524 1.695 1.00 0.00 H new ATOM 916 N VAL A 59 1.740 -3.910 2.014 1.00 0.00 N ATOM 917 CA VAL A 59 2.801 -4.641 2.685 1.00 0.00 C ATOM 918 C VAL A 59 4.151 -4.023 2.318 1.00 0.00 C ATOM 919 O VAL A 59 4.219 -3.114 1.493 1.00 0.00 O ATOM 920 CB VAL A 59 2.710 -6.129 2.338 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.262 -6.619 2.398 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.330 -6.412 0.968 1.00 0.00 C ATOM 0 H VAL A 59 1.430 -4.321 1.133 1.00 0.00 H new ATOM 0 HA VAL A 59 2.693 -4.565 3.767 1.00 0.00 H new ATOM 0 HB VAL A 59 3.281 -6.682 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.226 -7.679 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.869 -6.470 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.658 -6.057 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.252 -7.476 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.800 -5.842 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.380 -6.119 0.976 1.00 0.00 H new ATOM 932 N GLU A 60 5.194 -4.542 2.950 1.00 0.00 N ATOM 933 CA GLU A 60 6.539 -4.052 2.701 1.00 0.00 C ATOM 934 C GLU A 60 7.131 -4.733 1.465 1.00 0.00 C ATOM 935 O GLU A 60 6.560 -5.690 0.945 1.00 0.00 O ATOM 936 CB GLU A 60 7.435 -4.262 3.924 1.00 0.00 C ATOM 937 CG GLU A 60 7.790 -2.927 4.579 1.00 0.00 C ATOM 938 CD GLU A 60 8.874 -2.196 3.783 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.971 -2.739 3.587 1.00 0.00 O ATOM 940 OE2 GLU A 60 8.543 -1.024 3.359 1.00 0.00 O ATOM 0 H GLU A 60 5.135 -5.297 3.634 1.00 0.00 H new ATOM 0 HA GLU A 60 6.485 -2.980 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.927 -4.902 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.347 -4.779 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.899 -2.302 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.136 -3.099 5.598 1.00 0.00 H new ATOM 947 N ASP A 61 8.270 -4.213 1.031 1.00 0.00 N ATOM 948 CA ASP A 61 8.945 -4.758 -0.134 1.00 0.00 C ATOM 949 C ASP A 61 9.203 -6.251 0.083 1.00 0.00 C ATOM 950 O ASP A 61 8.633 -7.090 -0.612 1.00 0.00 O ATOM 951 CB ASP A 61 10.295 -4.073 -0.359 1.00 0.00 C ATOM 952 CG ASP A 61 10.586 -3.678 -1.808 1.00 0.00 C ATOM 953 OD1 ASP A 61 10.152 -2.513 -2.153 1.00 0.00 O ATOM 954 OD2 ASP A 61 11.197 -4.444 -2.569 1.00 0.00 O ATOM 0 H ASP A 61 8.742 -3.420 1.465 1.00 0.00 H new ATOM 0 HA ASP A 61 8.307 -4.592 -1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.339 -3.178 0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.086 -4.739 -0.014 1.00 0.00 H new ATOM 959 N ASP A 62 10.063 -6.535 1.050 1.00 0.00 N ATOM 960 CA ASP A 62 10.404 -7.912 1.368 1.00 0.00 C ATOM 961 C ASP A 62 10.369 -8.104 2.884 1.00 0.00 C ATOM 962 O ASP A 62 11.023 -9.000 3.416 1.00 0.00 O ATOM 963 CB ASP A 62 11.812 -8.258 0.880 1.00 0.00 C ATOM 964 CG ASP A 62 12.182 -9.740 0.969 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.497 -10.604 0.401 1.00 0.00 O ATOM 966 OD2 ASP A 62 13.236 -9.998 1.667 1.00 0.00 O ATOM 0 H ASP A 62 10.534 -5.835 1.624 1.00 0.00 H new ATOM 0 HA ASP A 62 9.681 -8.561 0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.910 -7.936 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.533 -7.684 1.462 1.00 0.00 H new ATOM 971 N LYS A 63 9.597 -7.249 3.540 1.00 0.00 N ATOM 972 CA LYS A 63 9.468 -7.314 4.986 1.00 0.00 C ATOM 973 C LYS A 63 8.214 -8.113 5.346 1.00 0.00 C ATOM 974 O LYS A 63 8.259 -8.991 6.206 1.00 0.00 O ATOM 975 CB LYS A 63 9.497 -5.909 5.590 1.00 0.00 C ATOM 976 CG LYS A 63 10.234 -5.902 6.931 1.00 0.00 C ATOM 977 CD LYS A 63 11.631 -5.298 6.785 1.00 0.00 C ATOM 978 CE LYS A 63 12.704 -6.274 7.273 1.00 0.00 C ATOM 979 NZ LYS A 63 13.760 -5.552 8.017 1.00 0.00 N ATOM 0 H LYS A 63 9.055 -6.508 3.096 1.00 0.00 H new ATOM 0 HA LYS A 63 10.318 -7.840 5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.986 -5.223 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.478 -5.548 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.661 -5.331 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.312 -6.920 7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.814 -5.043 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.692 -4.371 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.252 -7.031 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.142 -6.797 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.480 -6.228 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.203 -4.847 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.340 -5.073 8.839 1.00 0.00 H new ATOM 993 N VAL A 64 7.125 -7.780 4.670 1.00 0.00 N ATOM 994 CA VAL A 64 5.860 -8.455 4.908 1.00 0.00 C ATOM 995 C VAL A 64 5.312 -8.986 3.582 1.00 0.00 C ATOM 996 O VAL A 64 5.363 -8.295 2.565 1.00 0.00 O ATOM 997 CB VAL A 64 4.890 -7.513 5.622 1.00 0.00 C ATOM 998 CG1 VAL A 64 3.483 -8.114 5.679 1.00 0.00 C ATOM 999 CG2 VAL A 64 5.395 -7.165 7.024 1.00 0.00 C ATOM 0 H VAL A 64 7.092 -7.051 3.957 1.00 0.00 H new ATOM 0 HA VAL A 64 6.003 -9.312 5.566 1.00 0.00 H new ATOM 0 HB VAL A 64 4.836 -6.589 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.813 -7.424 6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.120 -8.287 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.513 -9.060 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.687 -6.494 7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.493 -8.077 7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.366 -6.676 6.950 1.00 0.00 H new ATOM 1009 N GLY A 65 4.800 -10.206 3.634 1.00 0.00 N ATOM 1010 CA GLY A 65 4.243 -10.836 2.450 1.00 0.00 C ATOM 1011 C GLY A 65 2.892 -11.484 2.757 1.00 0.00 C ATOM 1012 O GLY A 65 2.464 -11.520 3.910 1.00 0.00 O ATOM 0 H GLY A 65 4.759 -10.776 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.123 -10.093 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.935 -11.590 2.075 1.00 0.00 H new ATOM 1016 N THR A 66 2.255 -11.978 1.706 1.00 0.00 N ATOM 1017 CA THR A 66 0.961 -12.623 1.849 1.00 0.00 C ATOM 1018 C THR A 66 1.126 -14.024 2.440 1.00 0.00 C ATOM 1019 O THR A 66 0.611 -14.998 1.891 1.00 0.00 O ATOM 1020 CB THR A 66 0.276 -12.617 0.481 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.011 -11.241 0.242 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.100 -13.284 0.512 1.00 0.00 C ATOM 0 H THR A 66 2.611 -11.945 0.751 1.00 0.00 H new ATOM 0 HA THR A 66 0.325 -12.082 2.549 1.00 0.00 H new ATOM 0 HB THR A 66 0.910 -13.127 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.592 -11.160 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.542 -13.253 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.994 -14.321 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.746 -12.754 1.212 1.00 0.00 H new ATOM 1030 N ASP A 67 1.843 -14.082 3.551 1.00 0.00 N ATOM 1031 CA ASP A 67 2.082 -15.349 4.223 1.00 0.00 C ATOM 1032 C ASP A 67 1.147 -15.466 5.428 1.00 0.00 C ATOM 1033 O ASP A 67 0.360 -16.407 5.518 1.00 0.00 O ATOM 1034 CB ASP A 67 3.522 -15.441 4.731 1.00 0.00 C ATOM 1035 CG ASP A 67 4.091 -14.138 5.298 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.247 -13.142 4.575 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.386 -14.171 6.552 1.00 0.00 O ATOM 0 H ASP A 67 2.267 -13.272 4.004 1.00 0.00 H new ATOM 0 HA ASP A 67 1.901 -16.150 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.571 -16.208 5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.160 -15.773 3.912 1.00 0.00 H new ATOM 1042 N MET A 68 1.264 -14.497 6.324 1.00 0.00 N ATOM 1043 CA MET A 68 0.438 -14.480 7.520 1.00 0.00 C ATOM 1044 C MET A 68 -1.013 -14.138 7.179 1.00 0.00 C ATOM 1045 O MET A 68 -1.938 -14.805 7.642 1.00 0.00 O ATOM 1046 CB MET A 68 0.989 -13.447 8.506 1.00 0.00 C ATOM 1047 CG MET A 68 0.968 -13.989 9.936 1.00 0.00 C ATOM 1048 SD MET A 68 -0.674 -13.845 10.620 1.00 0.00 S ATOM 1049 CE MET A 68 -0.962 -12.100 10.371 1.00 0.00 C ATOM 0 H MET A 68 1.918 -13.718 6.246 1.00 0.00 H new ATOM 0 HA MET A 68 0.461 -15.473 7.970 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.009 -13.182 8.229 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.396 -12.534 8.451 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.283 -15.032 9.943 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.677 -13.438 10.553 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.667 -11.737 11.119 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.021 -11.559 10.467 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.374 -11.938 9.375 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.169 -13.098 6.373 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.493 -12.659 5.964 1.00 0.00 C ATOM 1061 C LEU A 69 -3.249 -13.838 5.348 1.00 0.00 C ATOM 1062 O LEU A 69 -4.431 -14.032 5.622 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.393 -11.442 5.043 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.623 -10.241 5.598 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -0.679 -9.660 4.543 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.580 -9.186 6.155 1.00 0.00 C ATOM 0 H LEU A 69 -0.400 -12.546 5.992 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.069 -12.328 6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.919 -11.754 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.403 -11.117 4.793 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.005 -10.585 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.144 -8.808 4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.037 -10.422 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.256 -9.335 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.007 -8.344 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.242 -8.840 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.174 -9.622 6.959 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.534 -14.593 4.527 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.122 -15.746 3.868 1.00 0.00 C ATOM 1080 C GLU A 70 -3.644 -16.742 4.907 1.00 0.00 C ATOM 1081 O GLU A 70 -4.814 -17.118 4.879 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.116 -16.413 2.927 1.00 0.00 C ATOM 1083 CG GLU A 70 -2.797 -17.477 2.063 1.00 0.00 C ATOM 1084 CD GLU A 70 -1.871 -18.676 1.842 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -0.808 -18.532 1.221 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -2.291 -19.788 2.342 1.00 0.00 O ATOM 0 H GLU A 70 -1.553 -14.428 4.303 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.963 -15.405 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.656 -15.660 2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.315 -16.869 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.718 -17.807 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.077 -17.046 1.102 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.747 -17.140 5.799 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.102 -18.085 6.845 1.00 0.00 C ATOM 1095 C GLU A 71 -4.157 -17.478 7.773 1.00 0.00 C ATOM 1096 O GLU A 71 -4.723 -18.174 8.614 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.865 -18.522 7.632 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.291 -19.825 7.073 1.00 0.00 C ATOM 1099 CD GLU A 71 -0.309 -20.459 8.060 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -0.852 -21.180 8.982 1.00 0.00 O ATOM 1101 OE2 GLU A 71 0.908 -20.262 7.936 1.00 0.00 O ATOM 0 H GLU A 71 -1.777 -16.826 5.819 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.526 -18.973 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.108 -17.739 7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.126 -18.656 8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.101 -20.523 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.786 -19.628 6.128 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.388 -16.187 7.588 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.365 -15.478 8.399 1.00 0.00 C ATOM 1110 C GLN A 72 -6.696 -15.369 7.652 1.00 0.00 C ATOM 1111 O GLN A 72 -7.753 -15.653 8.214 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.845 -14.095 8.799 1.00 0.00 C ATOM 1113 CG GLN A 72 -3.537 -14.208 9.583 1.00 0.00 C ATOM 1114 CD GLN A 72 -3.763 -13.924 11.069 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.933 -12.792 11.493 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -3.757 -15.012 11.835 1.00 0.00 N ATOM 0 H GLN A 72 -3.916 -15.613 6.889 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.530 -16.046 9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.687 -13.490 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.593 -13.582 9.404 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.120 -15.207 9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.806 -13.506 9.182 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.609 -15.930 11.416 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.900 -14.928 12.841 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.601 -14.957 6.395 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.784 -14.808 5.566 1.00 0.00 C ATOM 1127 C ILE A 73 -8.336 -16.191 5.218 1.00 0.00 C ATOM 1128 O ILE A 73 -9.515 -16.465 5.437 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.474 -13.944 4.341 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.759 -12.653 4.747 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.741 -13.667 3.530 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -5.766 -12.215 3.670 1.00 0.00 C ATOM 0 H ILE A 73 -5.723 -14.722 5.932 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.567 -14.280 6.111 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.794 -14.499 3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.492 -11.864 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.234 -12.805 5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.492 -13.051 2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.170 -14.610 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.465 -13.142 4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.272 -11.295 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.020 -12.996 3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.297 -12.041 2.734 1.00 0.00 H new ATOM 1144 N THR A 74 -7.459 -17.027 4.682 1.00 0.00 N ATOM 1145 CA THR A 74 -7.844 -18.375 4.303 1.00 0.00 C ATOM 1146 C THR A 74 -8.008 -19.253 5.545 1.00 0.00 C ATOM 1147 O THR A 74 -8.377 -20.422 5.439 1.00 0.00 O ATOM 1148 CB THR A 74 -6.801 -18.905 3.317 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.666 -19.187 4.132 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.307 -17.827 2.351 1.00 0.00 C ATOM 0 H THR A 74 -6.482 -16.796 4.501 1.00 0.00 H new ATOM 0 HA THR A 74 -8.815 -18.384 3.808 1.00 0.00 H new ATOM 0 HB THR A 74 -7.226 -19.733 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.208 -18.350 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.569 -18.256 1.673 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.148 -17.442 1.774 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.852 -17.014 2.916 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.725 -18.656 6.693 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.837 -19.369 7.955 1.00 0.00 C ATOM 1160 C ALA A 75 -9.302 -19.729 8.204 1.00 0.00 C ATOM 1161 O ALA A 75 -9.607 -20.517 9.098 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.248 -18.513 9.078 1.00 0.00 C ATOM 0 H ALA A 75 -7.418 -17.687 6.776 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.270 -20.299 7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.332 -19.047 10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.198 -18.309 8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.794 -17.572 9.143 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.170 -19.136 7.398 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.597 -19.386 7.520 1.00 0.00 C ATOM 1170 C PHE A 76 -12.115 -20.198 6.331 1.00 0.00 C ATOM 1171 O PHE A 76 -12.483 -19.633 5.302 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.290 -18.022 7.531 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.763 -17.576 8.915 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.558 -18.392 9.658 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.389 -16.363 9.405 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.996 -17.978 10.944 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.827 -15.948 10.689 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.622 -16.765 11.432 1.00 0.00 C ATOM 0 H PHE A 76 -9.913 -18.483 6.658 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.799 -19.953 8.429 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.604 -17.274 7.134 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.147 -18.056 6.859 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.856 -19.355 9.270 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.758 -15.715 8.815 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.626 -18.627 11.534 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.530 -14.985 11.076 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.956 -16.450 12.410 1.00 0.00 H new ATOM 1188 N GLU A 77 -12.127 -21.510 6.513 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.594 -22.406 5.468 1.00 0.00 C ATOM 1190 C GLU A 77 -14.120 -22.517 5.507 1.00 0.00 C ATOM 1191 O GLU A 77 -14.722 -23.144 4.637 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.942 -23.784 5.595 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.000 -24.055 4.420 1.00 0.00 C ATOM 1194 CD GLU A 77 -10.844 -25.558 4.177 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -11.724 -26.078 3.392 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -9.921 -26.181 4.723 1.00 0.00 O ATOM 0 H GLU A 77 -11.821 -21.974 7.368 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.303 -21.990 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.387 -23.843 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.713 -24.553 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.387 -23.576 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.025 -23.613 4.622 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.700 -21.898 6.524 1.00 0.00 N ATOM 1204 CA ASP A 78 -16.144 -21.918 6.687 1.00 0.00 C ATOM 1205 C ASP A 78 -16.731 -20.607 6.164 1.00 0.00 C ATOM 1206 O ASP A 78 -17.851 -20.239 6.518 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.530 -22.054 8.161 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.346 -23.302 8.504 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -17.677 -24.110 7.623 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -17.647 -23.431 9.752 1.00 0.00 O ATOM 0 H ASP A 78 -14.197 -21.379 7.244 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.534 -22.771 6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.620 -22.058 8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -17.101 -21.173 8.454 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.949 -19.936 5.331 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.378 -18.672 4.756 1.00 0.00 C ATOM 1217 C TYR A 79 -15.668 -18.406 3.426 1.00 0.00 C ATOM 1218 O TYR A 79 -16.295 -17.981 2.458 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.974 -17.592 5.761 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.989 -17.379 6.886 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -17.023 -18.247 7.958 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -17.869 -16.318 6.828 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -17.978 -18.045 9.017 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -18.824 -16.116 7.888 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.831 -16.991 8.930 1.00 0.00 C ATOM 1226 OH TYR A 79 -19.734 -16.800 9.929 1.00 0.00 O ATOM 0 H TYR A 79 -15.021 -20.244 5.040 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.451 -18.683 4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -15.012 -17.859 6.199 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.832 -16.651 5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -16.334 -19.077 8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.842 -15.639 5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -18.015 -18.717 9.862 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -19.518 -15.289 7.856 1.00 0.00 H new ATOM 0 HH TYR A 79 -20.277 -16.008 9.732 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.369 -18.666 3.424 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.567 -18.460 2.230 1.00 0.00 C ATOM 1238 C VAL A 80 -13.648 -19.705 1.345 1.00 0.00 C ATOM 1239 O VAL A 80 -13.412 -20.819 1.810 1.00 0.00 O ATOM 1240 CB VAL A 80 -12.132 -18.097 2.620 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.233 -18.014 1.385 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -12.095 -16.789 3.413 1.00 0.00 C ATOM 0 H VAL A 80 -13.852 -19.017 4.230 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.955 -17.623 1.650 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.748 -18.890 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.219 -17.755 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.224 -18.978 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.615 -17.250 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.064 -16.553 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.507 -15.983 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.688 -16.897 4.321 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.984 -19.475 0.084 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.100 -20.564 -0.870 1.00 0.00 C ATOM 1254 C GLN A 81 -12.730 -20.898 -1.465 1.00 0.00 C ATOM 1255 O GLN A 81 -12.428 -22.061 -1.724 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.107 -20.223 -1.972 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.455 -21.464 -2.798 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.916 -21.073 -4.204 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -16.998 -20.547 -4.407 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -15.037 -21.359 -5.160 1.00 0.00 N ATOM 0 H GLN A 81 -14.180 -18.550 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.470 -21.444 -0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.013 -19.812 -1.527 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.693 -19.453 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.585 -22.117 -2.865 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.241 -22.030 -2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.149 -21.800 -4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.251 -21.137 -6.132 1.00 0.00 H new ATOM 1269 N SER A 82 -11.936 -19.854 -1.663 1.00 0.00 N ATOM 1270 CA SER A 82 -10.606 -20.021 -2.222 1.00 0.00 C ATOM 1271 C SER A 82 -9.966 -18.654 -2.467 1.00 0.00 C ATOM 1272 O SER A 82 -10.408 -17.905 -3.338 1.00 0.00 O ATOM 1273 CB SER A 82 -10.652 -20.828 -3.523 1.00 0.00 C ATOM 1274 OG SER A 82 -11.621 -20.317 -4.433 1.00 0.00 O ATOM 0 H SER A 82 -12.189 -18.890 -1.446 1.00 0.00 H new ATOM 0 HA SER A 82 -10.000 -20.575 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.669 -20.813 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.881 -21.869 -3.296 1.00 0.00 H new ATOM 0 HG SER A 82 -11.596 -19.337 -4.422 1.00 0.00 H new ATOM 1280 N MET A 83 -8.935 -18.369 -1.685 1.00 0.00 N ATOM 1281 CA MET A 83 -8.230 -17.105 -1.807 1.00 0.00 C ATOM 1282 C MET A 83 -7.222 -17.148 -2.957 1.00 0.00 C ATOM 1283 O MET A 83 -6.682 -18.206 -3.276 1.00 0.00 O ATOM 1284 CB MET A 83 -7.499 -16.800 -0.498 1.00 0.00 C ATOM 1285 CG MET A 83 -6.651 -15.532 -0.626 1.00 0.00 C ATOM 1286 SD MET A 83 -5.574 -15.373 0.789 1.00 0.00 S ATOM 1287 CE MET A 83 -4.009 -15.144 -0.038 1.00 0.00 C ATOM 0 H MET A 83 -8.571 -18.992 -0.964 1.00 0.00 H new ATOM 0 HA MET A 83 -8.959 -16.322 -2.017 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.223 -16.678 0.307 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.862 -17.642 -0.228 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.060 -15.571 -1.541 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.298 -14.658 -0.701 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.222 -15.010 0.704 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.788 -16.020 -0.647 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.060 -14.262 -0.676 1.00 0.00 H new ATOM 1297 N ASP A 84 -6.998 -15.984 -3.549 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.065 -15.875 -4.657 1.00 0.00 C ATOM 1299 C ASP A 84 -5.483 -14.460 -4.691 1.00 0.00 C ATOM 1300 O ASP A 84 -5.746 -13.656 -3.799 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.764 -16.131 -5.994 1.00 0.00 C ATOM 1302 CG ASP A 84 -6.824 -17.600 -6.421 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -5.738 -18.061 -6.940 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -7.857 -18.267 -6.264 1.00 0.00 O ATOM 0 H ASP A 84 -7.447 -15.108 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.281 -16.619 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.781 -15.743 -5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.251 -15.563 -6.770 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.704 -14.200 -5.731 1.00 0.00 N ATOM 1310 CA VAL A 85 -4.083 -12.897 -5.893 1.00 0.00 C ATOM 1311 C VAL A 85 -4.783 -12.140 -7.024 1.00 0.00 C ATOM 1312 O VAL A 85 -5.072 -12.713 -8.073 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.579 -13.058 -6.124 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -2.295 -13.604 -7.524 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.844 -11.737 -5.891 1.00 0.00 C ATOM 0 H VAL A 85 -4.489 -14.870 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.197 -12.305 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.204 -13.782 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.219 -13.709 -7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.772 -14.577 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.691 -12.915 -8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.777 -11.879 -6.062 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.224 -10.983 -6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.006 -11.406 -4.865 1.00 0.00 H new ATOM 1325 N ALA A 86 -5.037 -10.864 -6.771 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.698 -10.023 -7.754 1.00 0.00 C ATOM 1327 C ALA A 86 -4.642 -9.322 -8.611 1.00 0.00 C ATOM 1328 O ALA A 86 -4.905 -8.965 -9.759 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.622 -9.034 -7.041 1.00 0.00 C ATOM 0 H ALA A 86 -4.797 -10.392 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.317 -10.624 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.118 -8.403 -7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.371 -9.583 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.036 -8.411 -6.366 1.00 0.00 H new ATOM 1335 N ALA A 87 -3.470 -9.143 -8.020 1.00 0.00 N ATOM 1336 CA ALA A 87 -2.373 -8.490 -8.715 1.00 0.00 C ATOM 1337 C ALA A 87 -1.142 -8.466 -7.806 1.00 0.00 C ATOM 1338 O ALA A 87 -1.252 -8.680 -6.600 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.807 -7.088 -9.148 1.00 0.00 C ATOM 0 H ALA A 87 -3.256 -9.439 -7.068 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.106 -9.041 -9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.985 -6.597 -9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.666 -7.163 -9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.079 -6.504 -8.269 1.00 0.00 H new ATOM 1345 N PHE A 88 0.002 -8.201 -8.420 1.00 0.00 N ATOM 1346 CA PHE A 88 1.252 -8.145 -7.682 1.00 0.00 C ATOM 1347 C PHE A 88 2.154 -7.030 -8.215 1.00 0.00 C ATOM 1348 O PHE A 88 2.845 -7.211 -9.217 1.00 0.00 O ATOM 1349 CB PHE A 88 1.951 -9.491 -7.884 1.00 0.00 C ATOM 1350 CG PHE A 88 2.103 -10.311 -6.601 1.00 0.00 C ATOM 1351 CD1 PHE A 88 2.782 -9.797 -5.541 1.00 0.00 C ATOM 1352 CD2 PHE A 88 1.559 -11.555 -6.522 1.00 0.00 C ATOM 1353 CE1 PHE A 88 2.922 -10.558 -4.350 1.00 0.00 C ATOM 1354 CE2 PHE A 88 1.700 -12.317 -5.332 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.378 -11.802 -4.271 1.00 0.00 C ATOM 0 H PHE A 88 0.089 -8.023 -9.421 1.00 0.00 H new ATOM 0 HA PHE A 88 1.054 -7.943 -6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.389 -10.075 -8.612 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.939 -9.316 -8.310 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.215 -8.810 -5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.020 -11.963 -7.364 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.460 -10.149 -3.508 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.269 -13.305 -5.269 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.484 -12.381 -3.366 1.00 0.00 H new ATOM 1365 N ASN A 89 2.119 -5.901 -7.521 1.00 0.00 N ATOM 1366 CA ASN A 89 2.925 -4.757 -7.912 1.00 0.00 C ATOM 1367 C ASN A 89 3.200 -3.889 -6.683 1.00 0.00 C ATOM 1368 O ASN A 89 2.641 -4.126 -5.613 1.00 0.00 O ATOM 1369 CB ASN A 89 2.195 -3.897 -8.945 1.00 0.00 C ATOM 1370 CG ASN A 89 2.299 -4.511 -10.343 1.00 0.00 C ATOM 1371 OD1 ASN A 89 1.392 -5.168 -10.830 1.00 0.00 O ATOM 1372 ND2 ASN A 89 3.451 -4.264 -10.959 1.00 0.00 N ATOM 0 H ASN A 89 1.545 -5.755 -6.691 1.00 0.00 H new ATOM 0 HA ASN A 89 3.853 -5.130 -8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.146 -3.798 -8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.619 -2.893 -8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.618 -4.632 -11.896 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.168 -3.707 -10.495 1.00 0.00 H new ATOM 1379 N LYS A 90 4.061 -2.901 -6.878 1.00 0.00 N ATOM 1380 CA LYS A 90 4.417 -1.995 -5.798 1.00 0.00 C ATOM 1381 C LYS A 90 3.298 -0.970 -5.608 1.00 0.00 C ATOM 1382 O LYS A 90 2.346 -0.892 -6.382 1.00 0.00 O ATOM 1383 CB LYS A 90 5.788 -1.368 -6.055 1.00 0.00 C ATOM 1384 CG LYS A 90 6.888 -2.132 -5.315 1.00 0.00 C ATOM 1385 CD LYS A 90 8.141 -2.268 -6.182 1.00 0.00 C ATOM 1386 CE LYS A 90 8.678 -3.700 -6.150 1.00 0.00 C ATOM 1387 NZ LYS A 90 9.309 -4.046 -7.443 1.00 0.00 N ATOM 0 H LYS A 90 4.522 -2.708 -7.767 1.00 0.00 H new ATOM 0 HA LYS A 90 4.513 -2.541 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.997 -1.368 -7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.782 -0.327 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.137 -1.613 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.525 -3.121 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.909 -1.986 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.909 -1.580 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.405 -3.804 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.865 -4.395 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.668 -5.021 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.606 -3.966 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.097 -3.394 -7.630 1.00 0.00 H new ATOM 1401 N ILE A 91 3.436 -0.174 -4.545 1.00 0.00 N ATOM 1402 CA ILE A 91 2.463 0.851 -4.224 1.00 0.00 C ATOM 1403 C ILE A 91 3.143 2.213 -4.190 1.00 0.00 C ATOM 1404 O ILE A 91 2.477 3.243 -4.252 1.00 0.00 O ATOM 1405 CB ILE A 91 1.817 0.536 -2.877 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.836 1.644 -2.511 1.00 0.00 C ATOM 1407 CG2 ILE A 91 2.899 0.438 -1.805 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.490 1.026 -2.073 1.00 0.00 C ATOM 1409 OXT ILE A 91 4.368 2.295 -4.100 1.00 0.00 O ATOM 0 H ILE A 91 4.220 -0.227 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 91 1.686 0.872 -4.988 1.00 0.00 H new ATOM 0 HB ILE A 91 1.284 -0.412 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.246 2.257 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.678 2.302 -3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.439 0.213 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.599 -0.355 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.433 1.386 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.192 1.818 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.902 0.432 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.325 0.387 -1.206 1.00 0.00 H new