USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 608 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 37 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.49) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 20 TYR OH : rot 12:sc= 0.00369 USER MOD Single : A 29 SER OG : rot 180:sc= -0.433 USER MOD Single : A 31 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 158:sc= -3.41! USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -15:sc= -0.447 USER MOD Single : A 50 THR OG1 : rot -170:sc= -1.71 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.188) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 55:sc= -0.16 USER MOD Single : A 64 TYR OH : rot 165:sc= -0.538 USER MOD Single : A 66 HIS :FLIP no HE2:sc= -0.0534 F(o=-0.98,f=-0.053) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= -0.852 (180deg=-1.67!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.865 7.687 16.921 1.00 0.00 N ATOM 2 CA MET A 1 -9.934 7.894 15.909 1.00 0.00 C ATOM 3 C MET A 1 -9.388 8.578 14.662 1.00 0.00 C ATOM 4 O MET A 1 -9.160 9.789 14.655 1.00 0.00 O ATOM 5 CB MET A 1 -11.041 8.743 16.538 1.00 0.00 C ATOM 6 CG MET A 1 -12.150 7.923 17.176 1.00 0.00 C ATOM 7 SD MET A 1 -13.465 7.510 16.014 1.00 0.00 S ATOM 8 CE MET A 1 -13.607 5.744 16.275 1.00 0.00 C ATOM 0 H1 MET A 1 -9.266 7.219 17.759 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.115 7.090 16.517 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.465 8.607 17.196 1.00 0.00 H new ATOM 0 HA MET A 1 -10.331 6.926 15.603 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.602 9.395 17.293 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.472 9.388 15.772 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.729 7.004 17.583 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.572 8.479 18.013 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.383 5.341 15.625 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.656 5.264 16.044 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.868 5.550 17.315 1.00 0.00 H new ATOM 20 N THR A 2 -9.181 7.798 13.607 1.00 0.00 N ATOM 21 CA THR A 2 -8.659 8.328 12.352 1.00 0.00 C ATOM 22 C THR A 2 -9.694 8.206 11.239 1.00 0.00 C ATOM 23 O THR A 2 -10.461 7.244 11.193 1.00 0.00 O ATOM 24 CB THR A 2 -7.378 7.592 11.956 1.00 0.00 C ATOM 25 OG1 THR A 2 -7.446 6.230 12.337 1.00 0.00 O ATOM 26 CG2 THR A 2 -6.132 8.183 12.579 1.00 0.00 C ATOM 0 H THR A 2 -9.367 6.795 13.596 1.00 0.00 H new ATOM 0 HA THR A 2 -8.432 9.384 12.499 1.00 0.00 H new ATOM 0 HB THR A 2 -7.306 7.696 10.873 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.619 5.775 12.074 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.260 7.614 12.257 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.025 9.221 12.264 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.213 8.140 13.665 1.00 0.00 H new ATOM 34 N ARG A 3 -9.708 9.186 10.342 1.00 0.00 N ATOM 35 CA ARG A 3 -10.649 9.188 9.226 1.00 0.00 C ATOM 36 C ARG A 3 -9.911 9.242 7.893 1.00 0.00 C ATOM 37 O ARG A 3 -9.852 10.288 7.245 1.00 0.00 O ATOM 38 CB ARG A 3 -11.606 10.376 9.343 1.00 0.00 C ATOM 39 CG ARG A 3 -12.298 10.469 10.694 1.00 0.00 C ATOM 40 CD ARG A 3 -13.572 9.642 10.726 1.00 0.00 C ATOM 41 NE ARG A 3 -13.298 8.218 10.915 1.00 0.00 N ATOM 42 CZ ARG A 3 -14.245 7.290 11.022 1.00 0.00 C ATOM 43 NH1 ARG A 3 -15.527 7.628 10.960 1.00 0.00 N ATOM 44 NH2 ARG A 3 -13.908 6.018 11.191 1.00 0.00 N ATOM 0 H ARG A 3 -9.079 9.989 10.365 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.224 8.263 9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.052 11.297 9.164 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.362 10.301 8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.620 10.125 11.475 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.534 11.511 10.912 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.214 9.997 11.532 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.120 9.785 9.795 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.324 7.919 10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.791 8.605 10.830 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.248 6.911 11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.924 5.753 11.239 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.633 5.305 11.273 1.00 0.00 H new ATOM 58 N TRP A 4 -9.350 8.108 7.487 1.00 0.00 N ATOM 59 CA TRP A 4 -8.615 8.024 6.229 1.00 0.00 C ATOM 60 C TRP A 4 -8.653 6.604 5.670 1.00 0.00 C ATOM 61 O TRP A 4 -7.728 6.180 4.976 1.00 0.00 O ATOM 62 CB TRP A 4 -7.163 8.465 6.429 1.00 0.00 C ATOM 63 CG TRP A 4 -6.410 8.652 5.146 1.00 0.00 C ATOM 64 CD1 TRP A 4 -6.527 9.691 4.274 1.00 0.00 C ATOM 65 CD2 TRP A 4 -5.427 7.776 4.592 1.00 0.00 C ATOM 66 NE1 TRP A 4 -5.675 9.516 3.209 1.00 0.00 N ATOM 67 CE2 TRP A 4 -4.987 8.344 3.382 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.877 6.565 5.005 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -4.020 7.738 2.582 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.918 5.961 4.212 1.00 0.00 C ATOM 71 CH2 TRP A 4 -3.496 6.550 3.011 1.00 0.00 C ATOM 0 H TRP A 4 -9.390 7.234 8.011 1.00 0.00 H new ATOM 0 HA TRP A 4 -9.095 8.692 5.513 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.150 9.401 6.988 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.647 7.723 7.038 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.193 10.532 4.401 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.572 10.154 2.420 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.194 6.105 5.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.696 8.190 1.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.487 5.021 4.523 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.743 6.056 2.414 1.00 0.00 H new ATOM 82 N VAL A 5 -9.721 5.874 5.976 1.00 0.00 N ATOM 83 CA VAL A 5 -9.864 4.504 5.498 1.00 0.00 C ATOM 84 C VAL A 5 -11.216 4.283 4.820 1.00 0.00 C ATOM 85 O VAL A 5 -12.189 3.892 5.465 1.00 0.00 O ATOM 86 CB VAL A 5 -9.702 3.492 6.651 1.00 0.00 C ATOM 87 CG1 VAL A 5 -10.738 3.742 7.736 1.00 0.00 C ATOM 88 CG2 VAL A 5 -9.796 2.064 6.133 1.00 0.00 C ATOM 0 H VAL A 5 -10.496 6.206 6.550 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.073 4.343 4.765 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.713 3.630 7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.606 3.017 8.539 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.614 4.750 8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.738 3.638 7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.679 1.367 6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.768 1.910 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.008 1.890 5.400 1.00 0.00 H new ATOM 98 N PRO A 6 -11.291 4.527 3.500 1.00 0.00 N ATOM 99 CA PRO A 6 -12.515 4.350 2.726 1.00 0.00 C ATOM 100 C PRO A 6 -12.673 2.924 2.204 1.00 0.00 C ATOM 101 O PRO A 6 -13.764 2.516 1.808 1.00 0.00 O ATOM 102 CB PRO A 6 -12.308 5.320 1.568 1.00 0.00 C ATOM 103 CG PRO A 6 -10.836 5.287 1.322 1.00 0.00 C ATOM 104 CD PRO A 6 -10.180 5.001 2.652 1.00 0.00 C ATOM 0 HA PRO A 6 -13.414 4.532 3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.867 5.011 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.647 6.324 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.583 4.518 0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.490 6.238 0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.399 4.247 2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.713 5.894 3.067 1.00 0.00 H new ATOM 112 N THR A 7 -11.572 2.172 2.202 1.00 0.00 N ATOM 113 CA THR A 7 -11.580 0.790 1.722 1.00 0.00 C ATOM 114 C THR A 7 -12.769 0.014 2.281 1.00 0.00 C ATOM 115 O THR A 7 -12.893 -0.167 3.492 1.00 0.00 O ATOM 116 CB THR A 7 -10.276 0.087 2.107 1.00 0.00 C ATOM 117 OG1 THR A 7 -10.400 -1.315 1.955 1.00 0.00 O ATOM 118 CG2 THR A 7 -9.849 0.356 3.535 1.00 0.00 C ATOM 0 H THR A 7 -10.662 2.497 2.528 1.00 0.00 H new ATOM 0 HA THR A 7 -11.670 0.817 0.636 1.00 0.00 H new ATOM 0 HB THR A 7 -9.520 0.493 1.435 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.556 -1.747 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.918 -0.172 3.742 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.698 1.426 3.674 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.623 0.007 4.218 1.00 0.00 H new ATOM 126 N LYS A 8 -13.638 -0.444 1.387 1.00 0.00 N ATOM 127 CA LYS A 8 -14.816 -1.205 1.786 1.00 0.00 C ATOM 128 C LYS A 8 -14.996 -2.426 0.891 1.00 0.00 C ATOM 129 O LYS A 8 -14.693 -2.381 -0.302 1.00 0.00 O ATOM 130 CB LYS A 8 -16.065 -0.321 1.731 1.00 0.00 C ATOM 131 CG LYS A 8 -16.853 -0.305 3.031 1.00 0.00 C ATOM 132 CD LYS A 8 -18.324 -0.607 2.799 1.00 0.00 C ATOM 133 CE LYS A 8 -18.924 -1.379 3.964 1.00 0.00 C ATOM 134 NZ LYS A 8 -19.876 -2.427 3.504 1.00 0.00 N ATOM 0 H LYS A 8 -13.549 -0.302 0.381 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.672 -1.546 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.769 0.698 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.713 -0.670 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.435 -1.039 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.752 0.671 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.870 0.326 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.438 -1.184 1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.125 -1.843 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -19.439 -0.688 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.263 -2.930 4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.652 -1.982 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.379 -3.102 2.888 1.00 0.00 H new ATOM 148 N ARG A 9 -15.491 -3.515 1.476 1.00 0.00 N ATOM 149 CA ARG A 9 -15.714 -4.759 0.741 1.00 0.00 C ATOM 150 C ARG A 9 -14.537 -5.083 -0.178 1.00 0.00 C ATOM 151 O ARG A 9 -14.711 -5.680 -1.240 1.00 0.00 O ATOM 152 CB ARG A 9 -17.013 -4.678 -0.069 1.00 0.00 C ATOM 153 CG ARG A 9 -16.960 -3.701 -1.235 1.00 0.00 C ATOM 154 CD ARG A 9 -17.448 -2.316 -0.831 1.00 0.00 C ATOM 155 NE ARG A 9 -18.610 -1.895 -1.611 1.00 0.00 N ATOM 156 CZ ARG A 9 -19.870 -2.175 -1.281 1.00 0.00 C ATOM 157 NH1 ARG A 9 -20.141 -2.878 -0.189 1.00 0.00 N ATOM 158 NH2 ARG A 9 -20.864 -1.750 -2.050 1.00 0.00 N ATOM 0 H ARG A 9 -15.747 -3.561 2.462 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.802 -5.564 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.252 -5.670 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.826 -4.388 0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.938 -3.633 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.572 -4.078 -2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.704 -2.317 0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.642 -1.595 -0.964 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.446 -1.354 -2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.382 -3.209 0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.109 -3.087 0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.663 -1.210 -2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.830 -1.963 -1.800 1.00 0.00 H new ATOM 172 N GLU A 10 -13.339 -4.684 0.241 1.00 0.00 N ATOM 173 CA GLU A 10 -12.133 -4.932 -0.540 1.00 0.00 C ATOM 174 C GLU A 10 -11.510 -6.274 -0.173 1.00 0.00 C ATOM 175 O GLU A 10 -11.944 -6.934 0.772 1.00 0.00 O ATOM 176 CB GLU A 10 -11.119 -3.807 -0.317 1.00 0.00 C ATOM 177 CG GLU A 10 -10.321 -3.452 -1.562 1.00 0.00 C ATOM 178 CD GLU A 10 -8.838 -3.313 -1.283 1.00 0.00 C ATOM 179 OE1 GLU A 10 -8.175 -4.349 -1.058 1.00 0.00 O ATOM 180 OE2 GLU A 10 -8.336 -2.169 -1.290 1.00 0.00 O ATOM 0 H GLU A 10 -13.179 -4.187 1.117 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.412 -4.960 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.645 -2.919 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.430 -4.102 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.474 -4.221 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.698 -2.517 -1.977 1.00 0.00 H new ATOM 187 N GLU A 11 -10.488 -6.671 -0.924 1.00 0.00 N ATOM 188 CA GLU A 11 -9.802 -7.935 -0.677 1.00 0.00 C ATOM 189 C GLU A 11 -8.904 -7.834 0.552 1.00 0.00 C ATOM 190 O GLU A 11 -8.984 -6.871 1.315 1.00 0.00 O ATOM 191 CB GLU A 11 -8.976 -8.337 -1.902 1.00 0.00 C ATOM 192 CG GLU A 11 -9.251 -9.753 -2.381 1.00 0.00 C ATOM 193 CD GLU A 11 -10.057 -9.791 -3.666 1.00 0.00 C ATOM 194 OE1 GLU A 11 -9.926 -8.847 -4.473 1.00 0.00 O ATOM 195 OE2 GLU A 11 -10.815 -10.762 -3.864 1.00 0.00 O ATOM 0 H GLU A 11 -10.116 -6.136 -1.709 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.554 -8.701 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.183 -7.641 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.917 -8.242 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.304 -10.270 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.788 -10.297 -1.604 1.00 0.00 H new ATOM 202 N LYS A 12 -8.047 -8.832 0.738 1.00 0.00 N ATOM 203 CA LYS A 12 -7.133 -8.853 1.874 1.00 0.00 C ATOM 204 C LYS A 12 -5.813 -8.174 1.523 1.00 0.00 C ATOM 205 O LYS A 12 -5.448 -7.160 2.119 1.00 0.00 O ATOM 206 CB LYS A 12 -6.878 -10.294 2.325 1.00 0.00 C ATOM 207 CG LYS A 12 -6.974 -10.486 3.829 1.00 0.00 C ATOM 208 CD LYS A 12 -7.652 -11.799 4.184 1.00 0.00 C ATOM 209 CE LYS A 12 -7.234 -12.288 5.560 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.202 -13.359 5.480 1.00 0.00 N ATOM 0 H LYS A 12 -7.966 -9.637 0.117 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.597 -8.302 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.597 -10.952 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.887 -10.601 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.975 -10.463 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.531 -9.658 4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.734 -11.670 4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.401 -12.553 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.844 -11.451 6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.108 -12.665 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.944 -13.665 6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.582 -14.168 4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.358 -12.992 4.995 1.00 0.00 H new ATOM 224 N TYR A 13 -5.102 -8.741 0.554 1.00 0.00 N ATOM 225 CA TYR A 13 -3.822 -8.190 0.124 1.00 0.00 C ATOM 226 C TYR A 13 -3.635 -8.366 -1.380 1.00 0.00 C ATOM 227 O TYR A 13 -4.361 -9.125 -2.023 1.00 0.00 O ATOM 228 CB TYR A 13 -2.665 -8.859 0.874 1.00 0.00 C ATOM 229 CG TYR A 13 -2.964 -10.266 1.348 1.00 0.00 C ATOM 230 CD1 TYR A 13 -3.359 -11.251 0.451 1.00 0.00 C ATOM 231 CD2 TYR A 13 -2.850 -10.605 2.689 1.00 0.00 C ATOM 232 CE1 TYR A 13 -3.635 -12.536 0.880 1.00 0.00 C ATOM 233 CE2 TYR A 13 -3.124 -11.889 3.126 1.00 0.00 C ATOM 234 CZ TYR A 13 -3.516 -12.849 2.216 1.00 0.00 C ATOM 235 OH TYR A 13 -3.788 -14.127 2.647 1.00 0.00 O ATOM 0 H TYR A 13 -5.390 -9.581 0.052 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.822 -7.125 0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.791 -8.885 0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.402 -8.245 1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.452 -11.009 -0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.543 -9.855 3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.942 -13.291 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.032 -12.138 4.173 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.655 -14.181 3.616 1.00 0.00 H new ATOM 245 N GLY A 14 -2.659 -7.656 -1.936 1.00 0.00 N ATOM 246 CA GLY A 14 -2.395 -7.745 -3.360 1.00 0.00 C ATOM 247 C GLY A 14 -0.914 -7.750 -3.677 1.00 0.00 C ATOM 248 O GLY A 14 -0.096 -8.161 -2.854 1.00 0.00 O ATOM 0 H GLY A 14 -2.046 -7.020 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.851 -8.653 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.869 -6.905 -3.867 1.00 0.00 H new ATOM 252 N VAL A 15 -0.567 -7.290 -4.875 1.00 0.00 N ATOM 253 CA VAL A 15 0.826 -7.241 -5.300 1.00 0.00 C ATOM 254 C VAL A 15 1.218 -5.834 -5.733 1.00 0.00 C ATOM 255 O VAL A 15 0.384 -5.066 -6.216 1.00 0.00 O ATOM 256 CB VAL A 15 1.095 -8.219 -6.461 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.575 -8.236 -6.815 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.610 -9.614 -6.104 1.00 0.00 C ATOM 0 H VAL A 15 -1.232 -6.946 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 15 1.430 -7.535 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 15 0.541 -7.878 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.745 -8.932 -7.636 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.889 -7.236 -7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.153 -8.552 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.808 -10.292 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.135 -9.966 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.461 -9.587 -5.905 1.00 0.00 H new ATOM 268 N ALA A 16 2.490 -5.500 -5.556 1.00 0.00 N ATOM 269 CA ALA A 16 2.998 -4.186 -5.927 1.00 0.00 C ATOM 270 C ALA A 16 4.189 -4.304 -6.869 1.00 0.00 C ATOM 271 O ALA A 16 5.303 -4.604 -6.437 1.00 0.00 O ATOM 272 CB ALA A 16 3.391 -3.404 -4.683 1.00 0.00 C ATOM 0 H ALA A 16 3.191 -6.124 -5.156 1.00 0.00 H new ATOM 0 HA ALA A 16 2.204 -3.652 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.769 -2.424 -4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.519 -3.281 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.167 -3.946 -4.142 1.00 0.00 H new ATOM 278 N PHE A 17 3.955 -4.065 -8.155 1.00 0.00 N ATOM 279 CA PHE A 17 5.025 -4.146 -9.140 1.00 0.00 C ATOM 280 C PHE A 17 5.595 -2.763 -9.434 1.00 0.00 C ATOM 281 O PHE A 17 5.103 -2.047 -10.305 1.00 0.00 O ATOM 282 CB PHE A 17 4.516 -4.790 -10.433 1.00 0.00 C ATOM 283 CG PHE A 17 3.179 -4.274 -10.884 1.00 0.00 C ATOM 284 CD1 PHE A 17 2.007 -4.857 -10.432 1.00 0.00 C ATOM 285 CD2 PHE A 17 3.094 -3.204 -11.761 1.00 0.00 C ATOM 286 CE1 PHE A 17 0.776 -4.386 -10.847 1.00 0.00 C ATOM 287 CE2 PHE A 17 1.867 -2.726 -12.178 1.00 0.00 C ATOM 288 CZ PHE A 17 0.706 -3.318 -11.720 1.00 0.00 C ATOM 0 H PHE A 17 3.042 -3.816 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 17 5.819 -4.768 -8.726 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.246 -4.620 -11.224 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.449 -5.868 -10.288 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.056 -5.690 -9.747 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.999 -2.738 -12.123 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.130 -4.852 -10.489 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.815 -1.891 -12.861 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.255 -2.946 -12.044 1.00 0.00 H new ATOM 298 N TYR A 18 6.642 -2.398 -8.700 1.00 0.00 N ATOM 299 CA TYR A 18 7.290 -1.106 -8.880 1.00 0.00 C ATOM 300 C TYR A 18 8.693 -1.112 -8.279 1.00 0.00 C ATOM 301 O TYR A 18 9.096 -2.077 -7.631 1.00 0.00 O ATOM 302 CB TYR A 18 6.451 0.005 -8.243 1.00 0.00 C ATOM 303 CG TYR A 18 6.169 1.160 -9.177 1.00 0.00 C ATOM 304 CD1 TYR A 18 5.191 1.061 -10.160 1.00 0.00 C ATOM 305 CD2 TYR A 18 6.881 2.349 -9.078 1.00 0.00 C ATOM 306 CE1 TYR A 18 4.932 2.113 -11.017 1.00 0.00 C ATOM 307 CE2 TYR A 18 6.627 3.406 -9.932 1.00 0.00 C ATOM 308 CZ TYR A 18 5.653 3.284 -10.899 1.00 0.00 C ATOM 309 OH TYR A 18 5.397 4.333 -11.750 1.00 0.00 O ATOM 0 H TYR A 18 7.059 -2.981 -7.974 1.00 0.00 H new ATOM 0 HA TYR A 18 7.374 -0.917 -9.950 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.505 -0.415 -7.902 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.969 0.380 -7.361 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.624 0.147 -10.255 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.645 2.449 -8.322 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.169 2.020 -11.776 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.190 4.323 -9.842 1.00 0.00 H new ATOM 0 HH TYR A 18 5.990 5.082 -11.533 1.00 0.00 H new ATOM 319 N ASN A 19 9.425 -0.025 -8.490 1.00 0.00 N ATOM 320 CA ASN A 19 10.777 0.102 -7.960 1.00 0.00 C ATOM 321 C ASN A 19 10.838 1.218 -6.921 1.00 0.00 C ATOM 322 O ASN A 19 11.669 2.123 -7.012 1.00 0.00 O ATOM 323 CB ASN A 19 11.769 0.380 -9.092 1.00 0.00 C ATOM 324 CG ASN A 19 12.164 -0.880 -9.838 1.00 0.00 C ATOM 325 OD1 ASN A 19 12.689 -1.825 -9.251 1.00 0.00 O ATOM 326 ND2 ASN A 19 11.914 -0.897 -11.143 1.00 0.00 N ATOM 0 H ASN A 19 9.105 0.782 -9.025 1.00 0.00 H new ATOM 0 HA ASN A 19 11.049 -0.838 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.328 1.090 -9.792 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.662 0.851 -8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.159 -1.716 -11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.477 -0.091 -11.589 1.00 0.00 H new ATOM 333 N TYR A 20 9.945 1.151 -5.941 1.00 0.00 N ATOM 334 CA TYR A 20 9.883 2.156 -4.886 1.00 0.00 C ATOM 335 C TYR A 20 10.949 1.910 -3.824 1.00 0.00 C ATOM 336 O TYR A 20 11.190 0.771 -3.423 1.00 0.00 O ATOM 337 CB TYR A 20 8.495 2.155 -4.241 1.00 0.00 C ATOM 338 CG TYR A 20 8.159 3.441 -3.520 1.00 0.00 C ATOM 339 CD1 TYR A 20 8.870 3.834 -2.393 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.128 4.261 -3.964 1.00 0.00 C ATOM 341 CE1 TYR A 20 8.564 5.007 -1.729 1.00 0.00 C ATOM 342 CE2 TYR A 20 6.818 5.436 -3.306 1.00 0.00 C ATOM 343 CZ TYR A 20 7.537 5.804 -2.190 1.00 0.00 C ATOM 344 OH TYR A 20 7.230 6.973 -1.532 1.00 0.00 O ATOM 0 H TYR A 20 9.251 0.408 -5.855 1.00 0.00 H new ATOM 0 HA TYR A 20 10.072 3.130 -5.337 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.746 1.975 -5.012 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.432 1.326 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.675 3.213 -2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.560 3.975 -4.837 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.126 5.298 -0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.015 6.063 -3.665 1.00 0.00 H new ATOM 0 HH TYR A 20 7.940 7.184 -0.891 1.00 0.00 H new ATOM 354 N ASP A 21 11.579 2.989 -3.369 1.00 0.00 N ATOM 355 CA ASP A 21 12.615 2.897 -2.348 1.00 0.00 C ATOM 356 C ASP A 21 12.343 3.884 -1.215 1.00 0.00 C ATOM 357 O ASP A 21 12.682 5.063 -1.310 1.00 0.00 O ATOM 358 CB ASP A 21 13.990 3.173 -2.960 1.00 0.00 C ATOM 359 CG ASP A 21 15.114 3.006 -1.956 1.00 0.00 C ATOM 360 OD1 ASP A 21 14.963 2.186 -1.028 1.00 0.00 O ATOM 361 OD2 ASP A 21 16.144 3.697 -2.098 1.00 0.00 O ATOM 0 H ASP A 21 11.389 3.938 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 21 12.604 1.886 -1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.153 2.497 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.010 4.187 -3.359 1.00 0.00 H new ATOM 366 N ALA A 22 11.723 3.391 -0.147 1.00 0.00 N ATOM 367 CA ALA A 22 11.398 4.227 1.004 1.00 0.00 C ATOM 368 C ALA A 22 12.640 4.909 1.565 1.00 0.00 C ATOM 369 O ALA A 22 13.746 4.374 1.483 1.00 0.00 O ATOM 370 CB ALA A 22 10.719 3.398 2.082 1.00 0.00 C ATOM 0 H ALA A 22 11.436 2.417 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 22 10.712 5.005 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.482 4.034 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.800 2.967 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.387 2.598 2.401 1.00 0.00 H new ATOM 376 N ARG A 23 12.449 6.093 2.136 1.00 0.00 N ATOM 377 CA ARG A 23 13.551 6.851 2.715 1.00 0.00 C ATOM 378 C ARG A 23 13.193 7.349 4.111 1.00 0.00 C ATOM 379 O ARG A 23 13.678 8.391 4.554 1.00 0.00 O ATOM 380 CB ARG A 23 13.913 8.034 1.816 1.00 0.00 C ATOM 381 CG ARG A 23 15.396 8.367 1.813 1.00 0.00 C ATOM 382 CD ARG A 23 15.760 9.296 0.666 1.00 0.00 C ATOM 383 NE ARG A 23 16.646 8.654 -0.301 1.00 0.00 N ATOM 384 CZ ARG A 23 17.956 8.503 -0.122 1.00 0.00 C ATOM 385 NH1 ARG A 23 18.536 8.949 0.987 1.00 0.00 N ATOM 386 NH2 ARG A 23 18.689 7.907 -1.051 1.00 0.00 N ATOM 0 H ARG A 23 11.540 6.549 2.210 1.00 0.00 H new ATOM 0 HA ARG A 23 14.413 6.188 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.597 7.814 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.353 8.911 2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.666 8.834 2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.976 7.447 1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.850 9.623 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.243 10.189 1.063 1.00 0.00 H new ATOM 0 HE ARG A 23 16.236 8.300 -1.165 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.977 9.409 1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 23 19.540 8.831 1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 23 18.249 7.563 -1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 23 19.693 7.792 -0.912 1.00 0.00 H new ATOM 400 N GLY A 24 12.341 6.598 4.803 1.00 0.00 N ATOM 401 CA GLY A 24 11.933 6.981 6.141 1.00 0.00 C ATOM 402 C GLY A 24 10.826 6.097 6.685 1.00 0.00 C ATOM 403 O GLY A 24 10.328 5.214 5.986 1.00 0.00 O ATOM 0 H GLY A 24 11.927 5.731 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.794 6.932 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.595 8.017 6.132 1.00 0.00 H new ATOM 407 N ALA A 25 10.441 6.335 7.935 1.00 0.00 N ATOM 408 CA ALA A 25 9.387 5.556 8.572 1.00 0.00 C ATOM 409 C ALA A 25 8.018 5.902 7.997 1.00 0.00 C ATOM 410 O ALA A 25 7.110 5.071 7.988 1.00 0.00 O ATOM 411 CB ALA A 25 9.401 5.785 10.076 1.00 0.00 C ATOM 0 H ALA A 25 10.844 7.062 8.526 1.00 0.00 H new ATOM 0 HA ALA A 25 9.578 4.502 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.609 5.198 10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.365 5.479 10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.239 6.842 10.285 1.00 0.00 H new ATOM 417 N ASP A 26 7.876 7.134 7.519 1.00 0.00 N ATOM 418 CA ASP A 26 6.616 7.591 6.944 1.00 0.00 C ATOM 419 C ASP A 26 6.348 6.931 5.592 1.00 0.00 C ATOM 420 O ASP A 26 5.229 6.979 5.082 1.00 0.00 O ATOM 421 CB ASP A 26 6.626 9.113 6.787 1.00 0.00 C ATOM 422 CG ASP A 26 6.025 9.824 7.984 1.00 0.00 C ATOM 423 OD1 ASP A 26 4.791 10.022 7.997 1.00 0.00 O ATOM 424 OD2 ASP A 26 6.786 10.180 8.908 1.00 0.00 O ATOM 0 H ASP A 26 8.618 7.834 7.518 1.00 0.00 H new ATOM 0 HA ASP A 26 5.816 7.304 7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.651 9.454 6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.071 9.386 5.890 1.00 0.00 H new ATOM 429 N GLU A 27 7.379 6.318 5.012 1.00 0.00 N ATOM 430 CA GLU A 27 7.239 5.657 3.718 1.00 0.00 C ATOM 431 C GLU A 27 7.834 4.251 3.754 1.00 0.00 C ATOM 432 O GLU A 27 8.872 4.019 4.375 1.00 0.00 O ATOM 433 CB GLU A 27 7.920 6.484 2.625 1.00 0.00 C ATOM 434 CG GLU A 27 6.948 7.297 1.786 1.00 0.00 C ATOM 435 CD GLU A 27 7.471 8.684 1.469 1.00 0.00 C ATOM 436 OE1 GLU A 27 7.698 9.466 2.419 1.00 0.00 O ATOM 437 OE2 GLU A 27 7.653 8.992 0.273 1.00 0.00 O ATOM 0 H GLU A 27 8.314 6.266 5.416 1.00 0.00 H new ATOM 0 HA GLU A 27 6.175 5.574 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.641 7.158 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.481 5.816 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.746 6.767 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.000 7.383 2.316 1.00 0.00 H new ATOM 444 N LEU A 28 7.169 3.317 3.082 1.00 0.00 N ATOM 445 CA LEU A 28 7.630 1.934 3.032 1.00 0.00 C ATOM 446 C LEU A 28 8.087 1.567 1.623 1.00 0.00 C ATOM 447 O LEU A 28 7.408 1.869 0.642 1.00 0.00 O ATOM 448 CB LEU A 28 6.518 0.985 3.487 1.00 0.00 C ATOM 449 CG LEU A 28 6.882 -0.498 3.465 1.00 0.00 C ATOM 450 CD1 LEU A 28 6.333 -1.204 4.696 1.00 0.00 C ATOM 451 CD2 LEU A 28 6.363 -1.156 2.196 1.00 0.00 C ATOM 0 H LEU A 28 6.308 3.493 2.564 1.00 0.00 H new ATOM 0 HA LEU A 28 8.479 1.834 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.223 1.256 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.647 1.139 2.850 1.00 0.00 H new ATOM 0 HG LEU A 28 7.969 -0.584 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.603 -2.259 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.754 -0.751 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.247 -1.108 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.632 -2.212 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.278 -1.058 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.806 -0.670 1.327 1.00 0.00 H new ATOM 463 N SER A 29 9.243 0.921 1.531 1.00 0.00 N ATOM 464 CA SER A 29 9.795 0.517 0.243 1.00 0.00 C ATOM 465 C SER A 29 8.937 -0.562 -0.411 1.00 0.00 C ATOM 466 O SER A 29 8.296 -1.359 0.273 1.00 0.00 O ATOM 467 CB SER A 29 11.228 0.009 0.416 1.00 0.00 C ATOM 468 OG SER A 29 11.255 -1.207 1.141 1.00 0.00 O ATOM 0 H SER A 29 9.817 0.665 2.334 1.00 0.00 H new ATOM 0 HA SER A 29 9.800 1.391 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.686 -0.137 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.823 0.760 0.937 1.00 0.00 H new ATOM 0 HG SER A 29 12.182 -1.511 1.236 1.00 0.00 H new ATOM 474 N LEU A 30 8.935 -0.581 -1.741 1.00 0.00 N ATOM 475 CA LEU A 30 8.159 -1.562 -2.490 1.00 0.00 C ATOM 476 C LEU A 30 8.938 -2.050 -3.708 1.00 0.00 C ATOM 477 O LEU A 30 9.457 -1.249 -4.485 1.00 0.00 O ATOM 478 CB LEU A 30 6.823 -0.960 -2.931 1.00 0.00 C ATOM 479 CG LEU A 30 5.675 -1.134 -1.934 1.00 0.00 C ATOM 480 CD1 LEU A 30 4.473 -0.303 -2.355 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.294 -2.602 -1.813 1.00 0.00 C ATOM 0 H LEU A 30 9.462 0.072 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 30 7.965 -2.413 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.965 0.105 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.533 -1.413 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 30 6.009 -0.783 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.666 -0.439 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.753 0.750 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.137 -0.623 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.476 -2.708 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.978 -2.977 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.155 -3.174 -1.466 1.00 0.00 H new ATOM 493 N GLN A 31 9.017 -3.366 -3.865 1.00 0.00 N ATOM 494 CA GLN A 31 9.736 -3.960 -4.987 1.00 0.00 C ATOM 495 C GLN A 31 8.801 -4.798 -5.851 1.00 0.00 C ATOM 496 O GLN A 31 7.732 -5.212 -5.407 1.00 0.00 O ATOM 497 CB GLN A 31 10.892 -4.825 -4.480 1.00 0.00 C ATOM 498 CG GLN A 31 12.073 -4.017 -3.966 1.00 0.00 C ATOM 499 CD GLN A 31 13.406 -4.655 -4.306 1.00 0.00 C ATOM 500 OE1 GLN A 31 13.528 -5.374 -5.297 1.00 0.00 O ATOM 501 NE2 GLN A 31 14.414 -4.391 -3.484 1.00 0.00 N ATOM 0 H GLN A 31 8.593 -4.042 -3.230 1.00 0.00 H new ATOM 0 HA GLN A 31 10.137 -3.151 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.529 -5.471 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.230 -5.475 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.035 -3.014 -4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.991 -3.908 -2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.267 -3.789 -2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.336 -4.790 -3.663 1.00 0.00 H new ATOM 510 N ILE A 32 9.214 -5.045 -7.090 1.00 0.00 N ATOM 511 CA ILE A 32 8.415 -5.835 -8.017 1.00 0.00 C ATOM 512 C ILE A 32 8.413 -7.309 -7.624 1.00 0.00 C ATOM 513 O ILE A 32 9.462 -7.889 -7.348 1.00 0.00 O ATOM 514 CB ILE A 32 8.927 -5.693 -9.464 1.00 0.00 C ATOM 515 CG1 ILE A 32 9.076 -4.216 -9.830 1.00 0.00 C ATOM 516 CG2 ILE A 32 7.984 -6.392 -10.432 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.800 -3.984 -11.139 1.00 0.00 C ATOM 0 H ILE A 32 10.097 -4.709 -7.474 1.00 0.00 H new ATOM 0 HA ILE A 32 7.396 -5.451 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 32 9.906 -6.168 -9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.086 -3.763 -9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.614 -3.705 -9.032 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.360 -6.282 -11.449 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.923 -7.451 -10.180 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.993 -5.944 -10.361 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.868 -2.913 -11.333 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.803 -4.406 -11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.251 -4.465 -11.949 1.00 0.00 H new ATOM 529 N GLY A 33 7.225 -7.905 -7.597 1.00 0.00 N ATOM 530 CA GLY A 33 7.105 -9.305 -7.234 1.00 0.00 C ATOM 531 C GLY A 33 6.781 -9.502 -5.762 1.00 0.00 C ATOM 532 O GLY A 33 6.589 -10.632 -5.313 1.00 0.00 O ATOM 0 H GLY A 33 6.343 -7.443 -7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.325 -9.768 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.037 -9.819 -7.469 1.00 0.00 H new ATOM 536 N ASP A 34 6.722 -8.405 -5.012 1.00 0.00 N ATOM 537 CA ASP A 34 6.422 -8.469 -3.587 1.00 0.00 C ATOM 538 C ASP A 34 4.936 -8.243 -3.329 1.00 0.00 C ATOM 539 O ASP A 34 4.257 -7.569 -4.105 1.00 0.00 O ATOM 540 CB ASP A 34 7.243 -7.425 -2.825 1.00 0.00 C ATOM 541 CG ASP A 34 8.692 -7.839 -2.658 1.00 0.00 C ATOM 542 OD1 ASP A 34 9.188 -8.616 -3.500 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.329 -7.386 -1.685 1.00 0.00 O ATOM 0 H ASP A 34 6.878 -7.462 -5.368 1.00 0.00 H new ATOM 0 HA ASP A 34 6.687 -9.465 -3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.199 -6.474 -3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.799 -7.263 -1.843 1.00 0.00 H new ATOM 548 N THR A 35 4.440 -8.805 -2.232 1.00 0.00 N ATOM 549 CA THR A 35 3.036 -8.659 -1.866 1.00 0.00 C ATOM 550 C THR A 35 2.846 -7.457 -0.947 1.00 0.00 C ATOM 551 O THR A 35 3.802 -6.971 -0.343 1.00 0.00 O ATOM 552 CB THR A 35 2.529 -9.928 -1.179 1.00 0.00 C ATOM 553 OG1 THR A 35 3.162 -11.076 -1.717 1.00 0.00 O ATOM 554 CG2 THR A 35 1.034 -10.123 -1.313 1.00 0.00 C ATOM 0 H THR A 35 4.989 -9.366 -1.581 1.00 0.00 H new ATOM 0 HA THR A 35 2.460 -8.498 -2.777 1.00 0.00 H new ATOM 0 HB THR A 35 2.770 -9.802 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.826 -11.877 -1.264 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.740 -11.041 -0.804 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.515 -9.276 -0.864 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.769 -10.192 -2.368 1.00 0.00 H new ATOM 562 N VAL A 36 1.610 -6.978 -0.846 1.00 0.00 N ATOM 563 CA VAL A 36 1.311 -5.829 -0.001 1.00 0.00 C ATOM 564 C VAL A 36 -0.035 -5.982 0.698 1.00 0.00 C ATOM 565 O VAL A 36 -1.020 -6.399 0.090 1.00 0.00 O ATOM 566 CB VAL A 36 1.306 -4.522 -0.815 1.00 0.00 C ATOM 567 CG1 VAL A 36 2.725 -4.098 -1.158 1.00 0.00 C ATOM 568 CG2 VAL A 36 0.468 -4.682 -2.075 1.00 0.00 C ATOM 0 H VAL A 36 0.804 -7.366 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 36 2.099 -5.783 0.751 1.00 0.00 H new ATOM 0 HB VAL A 36 0.858 -3.738 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.699 -3.172 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.289 -3.939 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.205 -4.879 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.476 -3.749 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.884 -5.480 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.557 -4.932 -1.801 1.00 0.00 H new ATOM 578 N HIS A 37 -0.069 -5.627 1.979 1.00 0.00 N ATOM 579 CA HIS A 37 -1.294 -5.711 2.765 1.00 0.00 C ATOM 580 C HIS A 37 -1.866 -4.317 2.997 1.00 0.00 C ATOM 581 O HIS A 37 -1.308 -3.523 3.755 1.00 0.00 O ATOM 582 CB HIS A 37 -1.023 -6.395 4.107 1.00 0.00 C ATOM 583 CG HIS A 37 -2.268 -6.716 4.875 1.00 0.00 C ATOM 584 ND1 HIS A 37 -3.260 -7.542 4.392 1.00 0.00 N ATOM 585 CD2 HIS A 37 -2.678 -6.317 6.104 1.00 0.00 C ATOM 586 CE1 HIS A 37 -4.228 -7.637 5.286 1.00 0.00 C ATOM 587 NE2 HIS A 37 -3.898 -6.904 6.334 1.00 0.00 N ATOM 0 H HIS A 37 0.739 -5.278 2.495 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.021 -6.305 2.211 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.466 -7.316 3.931 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.388 -5.749 4.713 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.145 -5.661 6.776 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.134 -8.215 5.178 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -4.459 -6.792 7.178 1.00 0.00 H new ATOM 596 N ILE A 38 -2.978 -4.022 2.330 1.00 0.00 N ATOM 597 CA ILE A 38 -3.621 -2.720 2.452 1.00 0.00 C ATOM 598 C ILE A 38 -4.556 -2.665 3.655 1.00 0.00 C ATOM 599 O ILE A 38 -5.397 -3.544 3.843 1.00 0.00 O ATOM 600 CB ILE A 38 -4.420 -2.366 1.183 1.00 0.00 C ATOM 601 CG1 ILE A 38 -3.569 -2.604 -0.068 1.00 0.00 C ATOM 602 CG2 ILE A 38 -4.895 -0.922 1.242 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.230 -3.509 -1.085 1.00 0.00 C ATOM 0 H ILE A 38 -3.452 -4.668 1.699 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.821 -1.993 2.589 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.295 -3.014 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.349 -1.644 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.615 -3.040 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.458 -0.687 0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.534 -0.785 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.033 -0.258 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.571 -3.633 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.425 -4.482 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.171 -3.065 -1.410 1.00 0.00 H new ATOM 615 N LEU A 39 -4.406 -1.619 4.460 1.00 0.00 N ATOM 616 CA LEU A 39 -5.240 -1.433 5.643 1.00 0.00 C ATOM 617 C LEU A 39 -6.039 -0.136 5.537 1.00 0.00 C ATOM 618 O LEU A 39 -7.173 -0.050 6.008 1.00 0.00 O ATOM 619 CB LEU A 39 -4.378 -1.418 6.909 1.00 0.00 C ATOM 620 CG LEU A 39 -3.080 -0.618 6.803 1.00 0.00 C ATOM 621 CD1 LEU A 39 -3.360 0.876 6.882 1.00 0.00 C ATOM 622 CD2 LEU A 39 -2.108 -1.038 7.897 1.00 0.00 C ATOM 0 H LEU A 39 -3.713 -0.885 4.315 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.938 -2.268 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.971 -1.011 7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.132 -2.446 7.174 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.625 -0.828 5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.422 1.426 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.020 1.166 6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.839 1.107 7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.188 -0.460 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.558 -0.857 8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.881 -2.099 7.794 1.00 0.00 H new ATOM 634 N GLU A 40 -5.438 0.867 4.903 1.00 0.00 N ATOM 635 CA GLU A 40 -6.087 2.161 4.716 1.00 0.00 C ATOM 636 C GLU A 40 -5.958 2.611 3.265 1.00 0.00 C ATOM 637 O GLU A 40 -4.934 2.377 2.628 1.00 0.00 O ATOM 638 CB GLU A 40 -5.462 3.207 5.643 1.00 0.00 C ATOM 639 CG GLU A 40 -6.251 3.439 6.921 1.00 0.00 C ATOM 640 CD GLU A 40 -5.357 3.690 8.119 1.00 0.00 C ATOM 641 OE1 GLU A 40 -4.760 2.719 8.628 1.00 0.00 O ATOM 642 OE2 GLU A 40 -5.252 4.859 8.548 1.00 0.00 O ATOM 0 H GLU A 40 -4.499 0.808 4.509 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.144 2.057 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.451 2.892 5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.374 4.151 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.916 4.291 6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.881 2.571 7.118 1.00 0.00 H new ATOM 649 N THR A 41 -6.998 3.253 2.744 1.00 0.00 N ATOM 650 CA THR A 41 -6.979 3.725 1.363 1.00 0.00 C ATOM 651 C THR A 41 -7.375 5.197 1.278 1.00 0.00 C ATOM 652 O THR A 41 -7.648 5.836 2.292 1.00 0.00 O ATOM 653 CB THR A 41 -7.914 2.880 0.496 1.00 0.00 C ATOM 654 OG1 THR A 41 -9.108 2.574 1.192 1.00 0.00 O ATOM 655 CG2 THR A 41 -7.297 1.573 0.048 1.00 0.00 C ATOM 0 H THR A 41 -7.859 3.458 3.252 1.00 0.00 H new ATOM 0 HA THR A 41 -5.960 3.623 0.990 1.00 0.00 H new ATOM 0 HB THR A 41 -8.117 3.489 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.815 2.358 0.549 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.013 1.023 -0.563 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.401 1.776 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.032 0.977 0.922 1.00 0.00 H new ATOM 663 N TYR A 42 -7.399 5.725 0.056 1.00 0.00 N ATOM 664 CA TYR A 42 -7.759 7.122 -0.172 1.00 0.00 C ATOM 665 C TYR A 42 -7.662 7.477 -1.655 1.00 0.00 C ATOM 666 O TYR A 42 -7.267 8.588 -2.010 1.00 0.00 O ATOM 667 CB TYR A 42 -6.852 8.051 0.640 1.00 0.00 C ATOM 668 CG TYR A 42 -7.523 9.343 1.052 1.00 0.00 C ATOM 669 CD1 TYR A 42 -8.561 9.344 1.976 1.00 0.00 C ATOM 670 CD2 TYR A 42 -7.116 10.559 0.518 1.00 0.00 C ATOM 671 CE1 TYR A 42 -9.176 10.522 2.354 1.00 0.00 C ATOM 672 CE2 TYR A 42 -7.726 11.742 0.894 1.00 0.00 C ATOM 673 CZ TYR A 42 -8.755 11.718 1.811 1.00 0.00 C ATOM 674 OH TYR A 42 -9.364 12.893 2.185 1.00 0.00 O ATOM 0 H TYR A 42 -7.173 5.205 -0.792 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.791 7.256 0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.514 7.526 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.964 8.284 0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.892 8.410 2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.311 10.581 -0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.983 10.506 3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.398 12.680 0.471 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.948 13.643 1.711 1.00 0.00 H new ATOM 684 N GLU A 43 -8.021 6.530 -2.515 1.00 0.00 N ATOM 685 CA GLU A 43 -7.967 6.751 -3.959 1.00 0.00 C ATOM 686 C GLU A 43 -6.561 7.149 -4.393 1.00 0.00 C ATOM 687 O GLU A 43 -6.183 8.317 -4.308 1.00 0.00 O ATOM 688 CB GLU A 43 -8.967 7.832 -4.367 1.00 0.00 C ATOM 689 CG GLU A 43 -10.409 7.353 -4.390 1.00 0.00 C ATOM 690 CD GLU A 43 -11.380 8.400 -3.882 1.00 0.00 C ATOM 691 OE1 GLU A 43 -11.374 8.673 -2.663 1.00 0.00 O ATOM 692 OE2 GLU A 43 -12.144 8.949 -4.703 1.00 0.00 O ATOM 0 H GLU A 43 -8.352 5.605 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.231 5.818 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.883 8.671 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.702 8.205 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.680 7.076 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.499 6.454 -3.781 1.00 0.00 H new ATOM 699 N GLY A 44 -5.787 6.170 -4.851 1.00 0.00 N ATOM 700 CA GLY A 44 -4.429 6.443 -5.283 1.00 0.00 C ATOM 701 C GLY A 44 -3.529 6.819 -4.125 1.00 0.00 C ATOM 702 O GLY A 44 -2.641 7.662 -4.265 1.00 0.00 O ATOM 0 H GLY A 44 -6.075 5.195 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.025 5.564 -5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.437 7.252 -6.013 1.00 0.00 H new ATOM 706 N TRP A 45 -3.765 6.197 -2.976 1.00 0.00 N ATOM 707 CA TRP A 45 -2.980 6.468 -1.776 1.00 0.00 C ATOM 708 C TRP A 45 -3.458 5.589 -0.625 1.00 0.00 C ATOM 709 O TRP A 45 -4.352 5.973 0.130 1.00 0.00 O ATOM 710 CB TRP A 45 -3.105 7.947 -1.397 1.00 0.00 C ATOM 711 CG TRP A 45 -1.866 8.573 -0.807 1.00 0.00 C ATOM 712 CD1 TRP A 45 -1.831 9.727 -0.076 1.00 0.00 C ATOM 713 CD2 TRP A 45 -0.501 8.115 -0.895 1.00 0.00 C ATOM 714 NE1 TRP A 45 -0.542 10.018 0.294 1.00 0.00 N ATOM 715 CE2 TRP A 45 0.292 9.047 -0.193 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.134 7.018 -1.490 1.00 0.00 C ATOM 717 CZ2 TRP A 45 1.672 8.917 -0.074 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.505 6.890 -1.369 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.261 7.836 -0.667 1.00 0.00 C ATOM 0 H TRP A 45 -4.497 5.498 -2.849 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.933 6.240 -1.978 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.387 8.510 -2.287 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.920 8.053 -0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.695 10.325 0.175 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.252 10.827 0.843 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.439 6.283 -2.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.257 9.645 0.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.001 6.046 -1.824 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.331 7.709 -0.593 1.00 0.00 H new ATOM 730 N TYR A 46 -2.870 4.402 -0.502 1.00 0.00 N ATOM 731 CA TYR A 46 -3.254 3.469 0.552 1.00 0.00 C ATOM 732 C TYR A 46 -2.073 3.151 1.465 1.00 0.00 C ATOM 733 O TYR A 46 -0.926 3.107 1.023 1.00 0.00 O ATOM 734 CB TYR A 46 -3.799 2.171 -0.057 1.00 0.00 C ATOM 735 CG TYR A 46 -4.567 2.362 -1.348 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.390 3.467 -1.538 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.471 1.435 -2.376 1.00 0.00 C ATOM 738 CE1 TYR A 46 -6.092 3.640 -2.715 1.00 0.00 C ATOM 739 CE2 TYR A 46 -5.171 1.600 -3.556 1.00 0.00 C ATOM 740 CZ TYR A 46 -5.979 2.703 -3.721 1.00 0.00 C ATOM 741 OH TYR A 46 -6.677 2.871 -4.894 1.00 0.00 O ATOM 0 H TYR A 46 -2.129 4.065 -1.117 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.033 3.944 1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.966 1.492 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.450 1.687 0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.482 4.202 -0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.838 0.569 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.726 4.504 -2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.085 0.868 -4.345 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.372 3.550 -4.767 1.00 0.00 H new ATOM 751 N ARG A 47 -2.372 2.924 2.741 1.00 0.00 N ATOM 752 CA ARG A 47 -1.345 2.601 3.726 1.00 0.00 C ATOM 753 C ARG A 47 -1.376 1.115 4.066 1.00 0.00 C ATOM 754 O ARG A 47 -2.423 0.473 3.988 1.00 0.00 O ATOM 755 CB ARG A 47 -1.550 3.429 4.996 1.00 0.00 C ATOM 756 CG ARG A 47 -0.460 3.227 6.037 1.00 0.00 C ATOM 757 CD ARG A 47 -0.777 3.962 7.328 1.00 0.00 C ATOM 758 NE ARG A 47 0.432 4.374 8.036 1.00 0.00 N ATOM 759 CZ ARG A 47 0.457 4.730 9.319 1.00 0.00 C ATOM 760 NH1 ARG A 47 -0.659 4.730 10.036 1.00 0.00 N ATOM 761 NH2 ARG A 47 1.602 5.088 9.885 1.00 0.00 N ATOM 0 H ARG A 47 -3.319 2.958 3.117 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.372 2.841 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.594 4.485 4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.513 3.171 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.345 2.163 6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.492 3.580 5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.383 4.840 7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.374 3.318 7.974 1.00 0.00 H new ATOM 0 HE ARG A 47 1.310 4.390 7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.542 4.456 9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.634 5.004 11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.463 5.091 9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.622 5.361 10.868 1.00 0.00 H new ATOM 775 N GLY A 48 -0.223 0.576 4.444 1.00 0.00 N ATOM 776 CA GLY A 48 -0.145 -0.831 4.791 1.00 0.00 C ATOM 777 C GLY A 48 1.282 -1.322 4.913 1.00 0.00 C ATOM 778 O GLY A 48 2.206 -0.529 5.092 1.00 0.00 O ATOM 0 H GLY A 48 0.657 1.086 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.665 -0.998 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.664 -1.418 4.033 1.00 0.00 H new ATOM 782 N TYR A 49 1.464 -2.635 4.816 1.00 0.00 N ATOM 783 CA TYR A 49 2.790 -3.231 4.917 1.00 0.00 C ATOM 784 C TYR A 49 2.903 -4.472 4.037 1.00 0.00 C ATOM 785 O TYR A 49 1.910 -5.148 3.771 1.00 0.00 O ATOM 786 CB TYR A 49 3.101 -3.592 6.371 1.00 0.00 C ATOM 787 CG TYR A 49 2.015 -4.403 7.040 1.00 0.00 C ATOM 788 CD1 TYR A 49 0.899 -3.784 7.590 1.00 0.00 C ATOM 789 CD2 TYR A 49 2.105 -5.787 7.123 1.00 0.00 C ATOM 790 CE1 TYR A 49 -0.096 -4.522 8.203 1.00 0.00 C ATOM 791 CE2 TYR A 49 1.114 -6.531 7.734 1.00 0.00 C ATOM 792 CZ TYR A 49 0.015 -5.894 8.273 1.00 0.00 C ATOM 793 OH TYR A 49 -0.973 -6.631 8.882 1.00 0.00 O ATOM 0 H TYR A 49 0.710 -3.306 4.668 1.00 0.00 H new ATOM 0 HA TYR A 49 3.516 -2.496 4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.035 -4.153 6.405 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.259 -2.675 6.938 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.808 -2.709 7.538 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.964 -6.290 6.703 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.957 -4.026 8.625 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.199 -7.606 7.789 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.741 -7.583 8.845 1.00 0.00 H new ATOM 803 N THR A 50 4.121 -4.764 3.590 1.00 0.00 N ATOM 804 CA THR A 50 4.366 -5.922 2.741 1.00 0.00 C ATOM 805 C THR A 50 4.452 -7.198 3.573 1.00 0.00 C ATOM 806 O THR A 50 4.787 -7.158 4.758 1.00 0.00 O ATOM 807 CB THR A 50 5.656 -5.731 1.944 1.00 0.00 C ATOM 808 OG1 THR A 50 6.606 -4.997 2.695 1.00 0.00 O ATOM 809 CG2 THR A 50 5.448 -5.005 0.633 1.00 0.00 C ATOM 0 H THR A 50 4.953 -4.214 3.803 1.00 0.00 H new ATOM 0 HA THR A 50 3.530 -6.017 2.048 1.00 0.00 H new ATOM 0 HB THR A 50 6.014 -6.738 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.358 -4.749 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.403 -4.903 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.758 -5.572 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.033 -4.016 0.827 1.00 0.00 H new ATOM 817 N LEU A 51 4.147 -8.329 2.946 1.00 0.00 N ATOM 818 CA LEU A 51 4.189 -9.617 3.628 1.00 0.00 C ATOM 819 C LEU A 51 5.592 -9.907 4.153 1.00 0.00 C ATOM 820 O LEU A 51 5.758 -10.573 5.176 1.00 0.00 O ATOM 821 CB LEU A 51 3.740 -10.735 2.684 1.00 0.00 C ATOM 822 CG LEU A 51 2.257 -11.099 2.772 1.00 0.00 C ATOM 823 CD1 LEU A 51 1.924 -11.656 4.146 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.391 -9.886 2.463 1.00 0.00 C ATOM 0 H LEU A 51 3.868 -8.380 1.966 1.00 0.00 H new ATOM 0 HA LEU A 51 3.505 -9.575 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.965 -10.438 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.331 -11.627 2.894 1.00 0.00 H new ATOM 0 HG LEU A 51 2.048 -11.870 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.865 -11.909 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.519 -12.551 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.150 -10.908 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.339 -10.163 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.604 -9.094 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.609 -9.530 1.456 1.00 0.00 H new ATOM 836 N ARG A 52 6.599 -9.405 3.446 1.00 0.00 N ATOM 837 CA ARG A 52 7.988 -9.611 3.843 1.00 0.00 C ATOM 838 C ARG A 52 8.309 -8.839 5.118 1.00 0.00 C ATOM 839 O ARG A 52 8.673 -9.427 6.138 1.00 0.00 O ATOM 840 CB ARG A 52 8.932 -9.176 2.721 1.00 0.00 C ATOM 841 CG ARG A 52 9.094 -10.215 1.624 1.00 0.00 C ATOM 842 CD ARG A 52 10.107 -9.771 0.582 1.00 0.00 C ATOM 843 NE ARG A 52 10.857 -10.896 0.030 1.00 0.00 N ATOM 844 CZ ARG A 52 11.794 -11.563 0.700 1.00 0.00 C ATOM 845 NH1 ARG A 52 12.099 -11.220 1.945 1.00 0.00 N ATOM 846 NH2 ARG A 52 12.427 -12.575 0.123 1.00 0.00 N ATOM 0 H ARG A 52 6.480 -8.853 2.596 1.00 0.00 H new ATOM 0 HA ARG A 52 8.130 -10.674 4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.558 -8.251 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.911 -8.954 3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.412 -11.161 2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.131 -10.393 1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.592 -9.249 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.800 -9.059 1.031 1.00 0.00 H new ATOM 0 HE ARG A 52 10.651 -11.188 -0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.615 -10.442 2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.818 -11.734 2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.196 -12.842 -0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.145 -13.086 0.636 1.00 0.00 H new ATOM 860 N LYS A 53 8.171 -7.518 5.055 1.00 0.00 N ATOM 861 CA LYS A 53 8.447 -6.665 6.204 1.00 0.00 C ATOM 862 C LYS A 53 7.152 -6.239 6.889 1.00 0.00 C ATOM 863 O LYS A 53 6.604 -5.176 6.598 1.00 0.00 O ATOM 864 CB LYS A 53 9.238 -5.430 5.771 1.00 0.00 C ATOM 865 CG LYS A 53 8.666 -4.741 4.543 1.00 0.00 C ATOM 866 CD LYS A 53 9.295 -3.373 4.327 1.00 0.00 C ATOM 867 CE LYS A 53 10.288 -3.391 3.175 1.00 0.00 C ATOM 868 NZ LYS A 53 11.325 -4.445 3.353 1.00 0.00 N ATOM 0 H LYS A 53 7.870 -7.016 4.220 1.00 0.00 H new ATOM 0 HA LYS A 53 9.042 -7.238 6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.266 -4.719 6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.268 -5.722 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.835 -5.363 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.587 -4.633 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.514 -2.640 4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.800 -3.056 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.755 -3.560 2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.770 -2.417 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.145 -4.231 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.625 -4.472 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.930 -5.369 3.085 1.00 0.00 H new ATOM 882 N LYS A 54 6.668 -7.076 7.801 1.00 0.00 N ATOM 883 CA LYS A 54 5.437 -6.786 8.528 1.00 0.00 C ATOM 884 C LYS A 54 5.659 -5.683 9.556 1.00 0.00 C ATOM 885 O LYS A 54 4.746 -4.916 9.864 1.00 0.00 O ATOM 886 CB LYS A 54 4.923 -8.049 9.224 1.00 0.00 C ATOM 887 CG LYS A 54 4.113 -8.958 8.313 1.00 0.00 C ATOM 888 CD LYS A 54 4.431 -10.423 8.564 1.00 0.00 C ATOM 889 CE LYS A 54 3.698 -11.327 7.585 1.00 0.00 C ATOM 890 NZ LYS A 54 4.263 -12.704 7.570 1.00 0.00 N ATOM 0 H LYS A 54 7.109 -7.960 8.054 1.00 0.00 H new ATOM 0 HA LYS A 54 4.692 -6.444 7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.772 -8.607 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.307 -7.760 10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.049 -8.782 8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.322 -8.712 7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.505 -10.584 8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.152 -10.688 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.642 -11.371 7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.756 -10.900 6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.736 -13.288 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.264 -12.666 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.185 -13.122 8.519 1.00 0.00 H new ATOM 904 N SER A 55 6.876 -5.607 10.085 1.00 0.00 N ATOM 905 CA SER A 55 7.217 -4.597 11.079 1.00 0.00 C ATOM 906 C SER A 55 7.131 -3.196 10.484 1.00 0.00 C ATOM 907 O SER A 55 6.494 -2.308 11.051 1.00 0.00 O ATOM 908 CB SER A 55 8.622 -4.846 11.629 1.00 0.00 C ATOM 909 OG SER A 55 8.701 -6.103 12.282 1.00 0.00 O ATOM 0 H SER A 55 7.643 -6.234 9.841 1.00 0.00 H new ATOM 0 HA SER A 55 6.498 -4.669 11.895 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.346 -4.810 10.815 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.888 -4.053 12.328 1.00 0.00 H new ATOM 0 HG SER A 55 9.610 -6.238 12.623 1.00 0.00 H new ATOM 915 N LYS A 56 7.779 -3.003 9.339 1.00 0.00 N ATOM 916 CA LYS A 56 7.777 -1.709 8.668 1.00 0.00 C ATOM 917 C LYS A 56 6.408 -1.413 8.060 1.00 0.00 C ATOM 918 O LYS A 56 5.698 -2.324 7.632 1.00 0.00 O ATOM 919 CB LYS A 56 8.853 -1.674 7.580 1.00 0.00 C ATOM 920 CG LYS A 56 9.989 -0.708 7.880 1.00 0.00 C ATOM 921 CD LYS A 56 10.495 -0.034 6.616 1.00 0.00 C ATOM 922 CE LYS A 56 11.614 -0.834 5.965 1.00 0.00 C ATOM 923 NZ LYS A 56 12.956 -0.272 6.281 1.00 0.00 N ATOM 0 H LYS A 56 8.312 -3.727 8.857 1.00 0.00 H new ATOM 0 HA LYS A 56 7.997 -0.941 9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.263 -2.676 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.391 -1.396 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.647 0.049 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.807 -1.245 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.672 0.083 5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.854 0.967 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.565 -1.869 6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.471 -0.846 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.690 -0.846 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.013 0.707 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.104 -0.284 7.310 1.00 0.00 H new ATOM 937 N LYS A 57 6.046 -0.136 8.025 1.00 0.00 N ATOM 938 CA LYS A 57 4.764 0.281 7.470 1.00 0.00 C ATOM 939 C LYS A 57 4.922 1.539 6.619 1.00 0.00 C ATOM 940 O LYS A 57 5.777 2.382 6.894 1.00 0.00 O ATOM 941 CB LYS A 57 3.756 0.537 8.593 1.00 0.00 C ATOM 942 CG LYS A 57 2.880 -0.665 8.910 1.00 0.00 C ATOM 943 CD LYS A 57 1.928 -0.374 10.058 1.00 0.00 C ATOM 944 CE LYS A 57 0.828 0.588 9.641 1.00 0.00 C ATOM 945 NZ LYS A 57 0.265 1.327 10.806 1.00 0.00 N ATOM 0 H LYS A 57 6.623 0.629 8.375 1.00 0.00 H new ATOM 0 HA LYS A 57 4.394 -0.523 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.295 0.831 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.119 1.377 8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.309 -0.944 8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.509 -1.518 9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.484 -1.306 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.484 0.049 10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.224 1.300 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.032 0.035 9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.482 1.973 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.136 0.650 11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.019 1.875 11.267 1.00 0.00 H new ATOM 959 N GLY A 58 4.092 1.657 5.588 1.00 0.00 N ATOM 960 CA GLY A 58 4.155 2.815 4.716 1.00 0.00 C ATOM 961 C GLY A 58 2.959 2.908 3.788 1.00 0.00 C ATOM 962 O GLY A 58 2.048 2.083 3.854 1.00 0.00 O ATOM 0 H GLY A 58 3.378 0.972 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.212 3.719 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.068 2.770 4.123 1.00 0.00 H new ATOM 966 N ILE A 59 2.964 3.917 2.923 1.00 0.00 N ATOM 967 CA ILE A 59 1.874 4.117 1.973 1.00 0.00 C ATOM 968 C ILE A 59 2.373 3.999 0.538 1.00 0.00 C ATOM 969 O ILE A 59 3.552 4.215 0.261 1.00 0.00 O ATOM 970 CB ILE A 59 1.203 5.493 2.166 1.00 0.00 C ATOM 971 CG1 ILE A 59 2.257 6.567 2.452 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.182 5.426 3.293 1.00 0.00 C ATOM 973 CD1 ILE A 59 1.672 7.939 2.713 1.00 0.00 C ATOM 0 H ILE A 59 3.710 4.609 2.860 1.00 0.00 H new ATOM 0 HA ILE A 59 1.137 3.337 2.164 1.00 0.00 H new ATOM 0 HB ILE A 59 0.684 5.762 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.848 6.263 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.940 6.628 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.285 6.403 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.582 4.688 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.680 5.139 4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.478 8.647 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.105 8.265 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.011 7.894 3.579 1.00 0.00 H new ATOM 985 N PHE A 60 1.469 3.651 -0.372 1.00 0.00 N ATOM 986 CA PHE A 60 1.820 3.501 -1.779 1.00 0.00 C ATOM 987 C PHE A 60 0.637 3.847 -2.678 1.00 0.00 C ATOM 988 O PHE A 60 -0.519 3.697 -2.282 1.00 0.00 O ATOM 989 CB PHE A 60 2.280 2.069 -2.057 1.00 0.00 C ATOM 990 CG PHE A 60 1.273 1.026 -1.660 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.064 0.921 -2.329 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.535 0.152 -0.618 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.865 -0.035 -1.965 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.609 -0.807 -0.250 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.591 -0.900 -0.925 1.00 0.00 C ATOM 0 H PHE A 60 0.488 3.468 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 60 2.634 4.191 -2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.498 1.966 -3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.212 1.885 -1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.155 1.594 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.473 0.220 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.804 -0.105 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.825 -1.482 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.315 -1.649 -0.640 1.00 0.00 H new ATOM 1005 N PRO A 61 0.910 4.317 -3.907 1.00 0.00 N ATOM 1006 CA PRO A 61 -0.135 4.682 -4.861 1.00 0.00 C ATOM 1007 C PRO A 61 -0.715 3.467 -5.579 1.00 0.00 C ATOM 1008 O PRO A 61 0.007 2.529 -5.919 1.00 0.00 O ATOM 1009 CB PRO A 61 0.602 5.586 -5.845 1.00 0.00 C ATOM 1010 CG PRO A 61 2.000 5.069 -5.849 1.00 0.00 C ATOM 1011 CD PRO A 61 2.261 4.530 -4.464 1.00 0.00 C ATOM 0 HA PRO A 61 -0.989 5.156 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.157 5.537 -6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.565 6.629 -5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.123 4.288 -6.599 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.706 5.862 -6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.831 3.601 -4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.835 5.235 -3.862 1.00 0.00 H new ATOM 1019 N ALA A 62 -2.025 3.494 -5.804 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.715 2.399 -6.480 1.00 0.00 C ATOM 1021 C ALA A 62 -2.313 2.295 -7.953 1.00 0.00 C ATOM 1022 O ALA A 62 -2.671 1.332 -8.632 1.00 0.00 O ATOM 1023 CB ALA A 62 -4.220 2.579 -6.359 1.00 0.00 C ATOM 0 H ALA A 62 -2.633 4.265 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.420 1.470 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.727 1.758 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.502 2.585 -5.306 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.512 3.524 -6.818 1.00 0.00 H new ATOM 1029 N SER A 63 -1.586 3.295 -8.445 1.00 0.00 N ATOM 1030 CA SER A 63 -1.155 3.318 -9.842 1.00 0.00 C ATOM 1031 C SER A 63 -0.512 1.998 -10.269 1.00 0.00 C ATOM 1032 O SER A 63 -0.511 1.660 -11.452 1.00 0.00 O ATOM 1033 CB SER A 63 -0.173 4.468 -10.068 1.00 0.00 C ATOM 1034 OG SER A 63 0.739 4.581 -8.990 1.00 0.00 O ATOM 0 H SER A 63 -1.283 4.100 -7.898 1.00 0.00 H new ATOM 0 HA SER A 63 -2.045 3.465 -10.454 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.375 4.305 -10.996 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.723 5.402 -10.182 1.00 0.00 H new ATOM 0 HG SER A 63 1.189 3.722 -8.851 1.00 0.00 H new ATOM 1040 N TYR A 64 0.038 1.255 -9.311 1.00 0.00 N ATOM 1041 CA TYR A 64 0.679 -0.020 -9.624 1.00 0.00 C ATOM 1042 C TYR A 64 0.302 -1.106 -8.621 1.00 0.00 C ATOM 1043 O TYR A 64 1.077 -2.027 -8.370 1.00 0.00 O ATOM 1044 CB TYR A 64 2.202 0.144 -9.668 1.00 0.00 C ATOM 1045 CG TYR A 64 2.807 0.643 -8.373 1.00 0.00 C ATOM 1046 CD1 TYR A 64 3.094 -0.234 -7.332 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.096 1.990 -8.194 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.652 0.219 -6.152 1.00 0.00 C ATOM 1049 CE2 TYR A 64 3.654 2.448 -7.016 1.00 0.00 C ATOM 1050 CZ TYR A 64 3.929 1.560 -5.998 1.00 0.00 C ATOM 1051 OH TYR A 64 4.483 2.014 -4.823 1.00 0.00 O ATOM 0 H TYR A 64 0.053 1.509 -8.323 1.00 0.00 H new ATOM 0 HA TYR A 64 0.321 -0.332 -10.605 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.653 -0.815 -9.921 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.459 0.838 -10.468 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.877 -1.286 -7.448 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.881 2.690 -8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.870 -0.475 -5.354 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.874 3.498 -6.893 1.00 0.00 H new ATOM 0 HH TYR A 64 4.835 2.919 -4.956 1.00 0.00 H new ATOM 1061 N ILE A 65 -0.897 -1.004 -8.055 1.00 0.00 N ATOM 1062 CA ILE A 65 -1.365 -1.992 -7.087 1.00 0.00 C ATOM 1063 C ILE A 65 -2.450 -2.879 -7.686 1.00 0.00 C ATOM 1064 O ILE A 65 -3.396 -2.392 -8.305 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.908 -1.322 -5.809 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -0.883 -0.338 -5.246 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.263 -2.374 -4.765 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.435 -0.981 -4.867 1.00 0.00 C ATOM 0 H ILE A 65 -1.559 -0.252 -8.248 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.503 -2.605 -6.824 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.813 -0.771 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.697 0.442 -5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.305 0.149 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.645 -1.884 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.026 -3.042 -5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.373 -2.950 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.111 -0.221 -4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.263 -1.741 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.880 -1.444 -5.747 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.306 -4.187 -7.494 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.272 -5.151 -8.012 1.00 0.00 C ATOM 1082 C HIS A 66 -3.598 -6.206 -6.959 1.00 0.00 C ATOM 1083 O HIS A 66 -2.735 -6.991 -6.567 1.00 0.00 O ATOM 1084 CB HIS A 66 -2.727 -5.821 -9.274 1.00 0.00 C ATOM 1085 CG HIS A 66 -3.708 -6.739 -9.934 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -4.119 -7.987 -9.600 1.00 0.00 N flip ATOM 1087 CD2 HIS A 66 -4.393 -6.409 -11.085 1.00 0.00 C flip ATOM 1088 CE1 HIS A 66 -5.034 -8.380 -10.545 1.00 0.00 C flip ATOM 1089 NE2 HIS A 66 -5.182 -7.412 -11.429 1.00 0.00 N flip ATOM 0 H HIS A 66 -1.528 -4.604 -6.983 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.188 -4.617 -8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.428 -5.050 -9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.830 -6.384 -9.018 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -3.807 -8.532 -8.797 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.299 -5.476 -11.621 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.550 -9.329 -10.562 1.00 0.00 H new ATOM 1098 N LEU A 67 -4.846 -6.217 -6.506 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.285 -7.175 -5.497 1.00 0.00 C ATOM 1100 C LEU A 67 -5.192 -8.604 -6.021 1.00 0.00 C ATOM 1101 O LEU A 67 -5.390 -8.855 -7.209 1.00 0.00 O ATOM 1102 CB LEU A 67 -6.721 -6.869 -5.066 1.00 0.00 C ATOM 1103 CG LEU A 67 -7.000 -5.401 -4.740 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -8.412 -5.234 -4.200 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -5.980 -4.872 -3.742 1.00 0.00 C ATOM 0 H LEU A 67 -5.572 -5.574 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.625 -7.083 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.398 -7.184 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.957 -7.471 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.913 -4.822 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.593 -4.183 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.130 -5.573 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.527 -5.826 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.195 -3.826 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.035 -5.455 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.979 -4.956 -4.166 1.00 0.00 H new ATOM 1117 N LYS A 68 -4.889 -9.537 -5.124 1.00 0.00 N ATOM 1118 CA LYS A 68 -4.769 -10.942 -5.493 1.00 0.00 C ATOM 1119 C LYS A 68 -5.948 -11.748 -4.952 1.00 0.00 C ATOM 1120 O LYS A 68 -6.905 -11.186 -4.420 1.00 0.00 O ATOM 1121 CB LYS A 68 -3.453 -11.519 -4.966 1.00 0.00 C ATOM 1122 CG LYS A 68 -2.390 -11.686 -6.039 1.00 0.00 C ATOM 1123 CD LYS A 68 -1.128 -12.323 -5.479 1.00 0.00 C ATOM 1124 CE LYS A 68 -1.169 -13.837 -5.598 1.00 0.00 C ATOM 1125 NZ LYS A 68 -2.231 -14.433 -4.741 1.00 0.00 N ATOM 0 H LYS A 68 -4.722 -9.345 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.775 -11.010 -6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.067 -10.866 -4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.649 -12.488 -4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.782 -12.303 -6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.148 -10.713 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.258 -11.939 -6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.011 -12.042 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.343 -14.115 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.200 -14.250 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.005 -15.430 -4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.284 -13.913 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.147 -14.373 -5.231 1.00 0.00 H new ATOM 1139 N GLU A 69 -5.868 -13.068 -5.092 1.00 0.00 N ATOM 1140 CA GLU A 69 -6.926 -13.951 -4.617 1.00 0.00 C ATOM 1141 C GLU A 69 -6.853 -14.126 -3.104 1.00 0.00 C ATOM 1142 O GLU A 69 -6.096 -14.956 -2.601 1.00 0.00 O ATOM 1143 CB GLU A 69 -6.826 -15.314 -5.307 1.00 0.00 C ATOM 1144 CG GLU A 69 -8.178 -15.922 -5.652 1.00 0.00 C ATOM 1145 CD GLU A 69 -8.156 -17.438 -5.628 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -7.196 -18.026 -6.168 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -9.101 -18.036 -5.071 1.00 0.00 O ATOM 0 H GLU A 69 -5.082 -13.548 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.885 -13.495 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.241 -15.208 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.283 -16.001 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.926 -15.561 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.484 -15.582 -6.641 1.00 0.00 H new ATOM 1154 N ALA A 70 -7.644 -13.338 -2.383 1.00 0.00 N ATOM 1155 CA ALA A 70 -7.669 -13.407 -0.927 1.00 0.00 C ATOM 1156 C ALA A 70 -8.127 -14.781 -0.452 1.00 0.00 C ATOM 1157 O ALA A 70 -9.281 -15.164 -0.649 1.00 0.00 O ATOM 1158 CB ALA A 70 -8.573 -12.322 -0.363 1.00 0.00 C ATOM 0 H ALA A 70 -8.276 -12.645 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.655 -13.245 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.582 -12.385 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.200 -11.344 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.586 -12.458 -0.743 1.00 0.00 H new ATOM 1164 N ILE A 71 -7.217 -15.517 0.174 1.00 0.00 N ATOM 1165 CA ILE A 71 -7.527 -16.849 0.681 1.00 0.00 C ATOM 1166 C ILE A 71 -7.685 -16.836 2.197 1.00 0.00 C ATOM 1167 O ILE A 71 -6.780 -16.422 2.922 1.00 0.00 O ATOM 1168 CB ILE A 71 -6.434 -17.866 0.298 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -5.073 -17.418 0.839 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -6.381 -18.041 -1.213 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -4.476 -18.379 1.845 1.00 0.00 C ATOM 0 H ILE A 71 -6.258 -15.214 0.343 1.00 0.00 H new ATOM 0 HA ILE A 71 -8.469 -17.151 0.222 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.680 -18.828 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.380 -17.301 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.181 -16.438 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.605 -18.762 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.345 -18.403 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.156 -17.083 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.513 -17.998 2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.149 -18.478 2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.336 -19.354 1.378 1.00 0.00 H new ATOM 1183 N VAL A 72 -8.839 -17.293 2.671 1.00 0.00 N ATOM 1184 CA VAL A 72 -9.114 -17.334 4.101 1.00 0.00 C ATOM 1185 C VAL A 72 -10.090 -18.455 4.442 1.00 0.00 C ATOM 1186 O VAL A 72 -10.925 -18.836 3.621 1.00 0.00 O ATOM 1187 CB VAL A 72 -9.687 -15.992 4.602 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -11.008 -15.682 3.911 1.00 0.00 C ATOM 1189 CG2 VAL A 72 -9.858 -16.014 6.113 1.00 0.00 C ATOM 0 H VAL A 72 -9.598 -17.640 2.085 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.164 -17.522 4.601 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.980 -15.201 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.396 -14.732 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.849 -15.618 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.725 -16.474 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.263 -15.059 6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.543 -16.816 6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.891 -16.183 6.586 1.00 0.00 H new ATOM 1199 N GLU A 73 -9.979 -18.980 5.658 1.00 0.00 N ATOM 1200 CA GLU A 73 -10.851 -20.058 6.108 1.00 0.00 C ATOM 1201 C GLU A 73 -12.311 -19.618 6.093 1.00 0.00 C ATOM 1202 O GLU A 73 -12.669 -18.598 6.681 1.00 0.00 O ATOM 1203 CB GLU A 73 -10.455 -20.507 7.517 1.00 0.00 C ATOM 1204 CG GLU A 73 -9.324 -21.521 7.537 1.00 0.00 C ATOM 1205 CD GLU A 73 -8.550 -21.508 8.841 1.00 0.00 C ATOM 1206 OE1 GLU A 73 -7.629 -20.675 8.974 1.00 0.00 O ATOM 1207 OE2 GLU A 73 -8.866 -22.328 9.727 1.00 0.00 O ATOM 0 H GLU A 73 -9.293 -18.676 6.349 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.736 -20.897 5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.159 -19.633 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.326 -20.937 8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.732 -22.518 7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.642 -21.315 6.712 1.00 0.00 H new ATOM 1214 N GLY A 74 -13.150 -20.396 5.417 1.00 0.00 N ATOM 1215 CA GLY A 74 -14.562 -20.070 5.337 1.00 0.00 C ATOM 1216 C GLY A 74 -14.818 -18.784 4.574 1.00 0.00 C ATOM 1217 O GLY A 74 -15.988 -18.352 4.516 1.00 0.00 O ATOM 1218 OXT GLY A 74 -13.848 -18.212 4.035 1.00 0.00 O ATOM 0 H GLY A 74 -12.878 -21.246 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.094 -20.889 4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.968 -19.978 6.344 1.00 0.00 H new TER 1222 GLY A 74