USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 728 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 SER OG : rot -46:sc= 0.225 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 GLN : amide:sc= -0.0295 X(o=-0.03,f=0.0059) USER MOD Set 2.2: A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0654) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -2.49! C(o=-5.6!,f=-2.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 98:sc= 0.544 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= -0.0479 (180deg=-0.829) USER MOD Single : A 46 THR OG1 : rot 19:sc= 0.00271 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -107:sc= 0.243 (180deg=-2.75!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -156:sc= 0.304 USER MOD Single : A 62 GLN : amide:sc= 0.957 K(o=0.96,f=-3.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -39:sc= 1.23 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0844 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N GLU A 3 -7.662 -6.652 -15.637 1.00 0.00 N ATOM 28 CA GLU A 3 -6.522 -5.790 -15.897 1.00 0.00 C ATOM 29 C GLU A 3 -5.926 -5.206 -14.611 1.00 0.00 C ATOM 30 O GLU A 3 -6.506 -5.303 -13.531 1.00 0.00 O ATOM 31 CB GLU A 3 -6.877 -4.703 -16.920 1.00 0.00 C ATOM 32 CG GLU A 3 -7.494 -5.285 -18.199 1.00 0.00 C ATOM 33 CD GLU A 3 -7.637 -4.217 -19.278 1.00 0.00 C ATOM 34 OE1 GLU A 3 -8.426 -3.276 -19.049 1.00 0.00 O ATOM 35 OE2 GLU A 3 -6.942 -4.355 -20.309 1.00 0.00 O ATOM 0 HA GLU A 3 -5.739 -6.409 -16.335 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.576 -3.998 -16.470 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.979 -4.141 -17.176 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.870 -6.098 -18.569 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.472 -5.711 -17.973 1.00 0.00 H new ATOM 42 N TRP A 4 -4.730 -4.630 -14.741 1.00 0.00 N ATOM 43 CA TRP A 4 -4.008 -3.992 -13.650 1.00 0.00 C ATOM 44 C TRP A 4 -4.081 -2.475 -13.807 1.00 0.00 C ATOM 45 O TRP A 4 -4.308 -1.971 -14.907 1.00 0.00 O ATOM 46 CB TRP A 4 -2.555 -4.480 -13.600 1.00 0.00 C ATOM 47 CG TRP A 4 -2.335 -5.955 -13.437 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.638 -6.924 -14.329 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.703 -6.639 -12.317 1.00 0.00 C ATOM 50 NE1 TRP A 4 -2.244 -8.152 -13.835 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.640 -8.032 -12.601 1.00 0.00 C ATOM 52 CE3 TRP A 4 -1.184 -6.210 -11.082 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -1.059 -8.951 -11.713 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.589 -7.116 -10.186 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.503 -8.481 -10.511 1.00 0.00 C ATOM 0 H TRP A 4 -4.229 -4.596 -15.629 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.474 -4.266 -12.703 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.060 -4.164 -14.518 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -2.055 -3.970 -12.776 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.116 -6.762 -15.284 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.382 -9.037 -14.322 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.244 -5.165 -10.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.040 -10.004 -11.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -0.196 -6.762 -9.244 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -0.010 -9.167 -9.838 1.00 0.00 H new ATOM 66 N GLU A 5 -3.902 -1.756 -12.699 1.00 0.00 N ATOM 67 CA GLU A 5 -4.020 -0.317 -12.587 1.00 0.00 C ATOM 68 C GLU A 5 -2.905 0.217 -11.688 1.00 0.00 C ATOM 69 O GLU A 5 -2.239 -0.528 -10.965 1.00 0.00 O ATOM 70 CB GLU A 5 -5.384 0.028 -11.982 1.00 0.00 C ATOM 71 CG GLU A 5 -6.541 -0.154 -12.972 1.00 0.00 C ATOM 72 CD GLU A 5 -7.887 0.006 -12.271 1.00 0.00 C ATOM 73 OE1 GLU A 5 -8.081 1.075 -11.651 1.00 0.00 O ATOM 74 OE2 GLU A 5 -8.691 -0.949 -12.344 1.00 0.00 O ATOM 0 H GLU A 5 -3.657 -2.194 -11.811 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.933 0.139 -13.573 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.558 -0.601 -11.109 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.370 1.061 -11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.456 0.577 -13.776 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.480 -1.141 -13.431 1.00 0.00 H new ATOM 81 N ILE A 6 -2.728 1.534 -11.748 1.00 0.00 N ATOM 82 CA ILE A 6 -1.698 2.264 -11.038 1.00 0.00 C ATOM 83 C ILE A 6 -2.137 2.418 -9.579 1.00 0.00 C ATOM 84 O ILE A 6 -3.290 2.744 -9.304 1.00 0.00 O ATOM 85 CB ILE A 6 -1.451 3.630 -11.712 1.00 0.00 C ATOM 86 CG1 ILE A 6 -1.336 3.511 -13.247 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.184 4.282 -11.136 1.00 0.00 C ATOM 88 CD1 ILE A 6 -1.200 4.871 -13.942 1.00 0.00 C ATOM 0 H ILE A 6 -3.323 2.138 -12.315 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.753 1.721 -11.067 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.315 4.259 -11.498 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.472 2.894 -13.495 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.216 2.997 -13.634 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.019 5.245 -11.619 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.307 4.430 -10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.673 3.634 -11.317 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.123 4.723 -15.019 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.075 5.482 -13.721 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.305 5.376 -13.580 1.00 0.00 H new ATOM 100 N ILE A 7 -1.216 2.177 -8.646 1.00 0.00 N ATOM 101 CA ILE A 7 -1.446 2.316 -7.211 1.00 0.00 C ATOM 102 C ILE A 7 -1.805 3.758 -6.818 1.00 0.00 C ATOM 103 O ILE A 7 -2.705 3.969 -6.009 1.00 0.00 O ATOM 104 CB ILE A 7 -0.207 1.795 -6.462 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.406 1.864 -4.940 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.054 2.573 -6.862 1.00 0.00 C ATOM 107 CD1 ILE A 7 0.443 0.855 -4.170 1.00 0.00 C ATOM 0 H ILE A 7 -0.269 1.873 -8.873 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.311 1.718 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.074 0.751 -6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.164 2.869 -4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.458 1.693 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.912 2.181 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.225 2.463 -7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.922 3.628 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.253 0.959 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.185 -0.155 -4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.498 1.040 -4.370 1.00 0.00 H new ATOM 119 N ASP A 8 -1.080 4.725 -7.392 1.00 0.00 N ATOM 120 CA ASP A 8 -1.155 6.160 -7.134 1.00 0.00 C ATOM 121 C ASP A 8 -0.560 6.541 -5.768 1.00 0.00 C ATOM 122 O ASP A 8 -0.898 5.961 -4.736 1.00 0.00 O ATOM 123 CB ASP A 8 -2.576 6.708 -7.331 1.00 0.00 C ATOM 124 CG ASP A 8 -2.591 8.234 -7.378 1.00 0.00 C ATOM 125 OD1 ASP A 8 -1.759 8.785 -8.132 1.00 0.00 O ATOM 126 OD2 ASP A 8 -3.441 8.820 -6.676 1.00 0.00 O ATOM 0 H ASP A 8 -0.377 4.505 -8.098 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.530 6.646 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.994 6.311 -8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.215 6.363 -6.518 1.00 0.00 H new ATOM 131 N ILE A 9 0.360 7.510 -5.767 1.00 0.00 N ATOM 132 CA ILE A 9 0.968 8.040 -4.550 1.00 0.00 C ATOM 133 C ILE A 9 -0.046 8.941 -3.835 1.00 0.00 C ATOM 134 O ILE A 9 -1.083 9.283 -4.400 1.00 0.00 O ATOM 135 CB ILE A 9 2.286 8.767 -4.901 1.00 0.00 C ATOM 136 CG1 ILE A 9 3.239 7.873 -5.719 1.00 0.00 C ATOM 137 CG2 ILE A 9 3.039 9.303 -3.672 1.00 0.00 C ATOM 138 CD1 ILE A 9 3.588 6.557 -5.016 1.00 0.00 C ATOM 0 H ILE A 9 0.705 7.950 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 9 1.228 7.236 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 9 1.976 9.620 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.781 7.652 -6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.158 8.423 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.954 9.801 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.407 10.014 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.291 8.475 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.262 5.976 -5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.075 6.771 -4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.676 5.987 -4.837 1.00 0.00 H new ATOM 150 N GLY A 10 0.245 9.312 -2.586 1.00 0.00 N ATOM 151 CA GLY A 10 -0.642 10.095 -1.740 1.00 0.00 C ATOM 152 C GLY A 10 -1.095 9.230 -0.564 1.00 0.00 C ATOM 153 O GLY A 10 -0.260 8.522 0.004 1.00 0.00 O ATOM 0 H GLY A 10 1.124 9.068 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.128 10.985 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.505 10.436 -2.312 1.00 0.00 H new ATOM 157 N PRO A 11 -2.381 9.259 -0.177 1.00 0.00 N ATOM 158 CA PRO A 11 -2.847 8.528 0.987 1.00 0.00 C ATOM 159 C PRO A 11 -2.774 7.023 0.738 1.00 0.00 C ATOM 160 O PRO A 11 -2.355 6.285 1.617 1.00 0.00 O ATOM 161 CB PRO A 11 -4.276 9.011 1.242 1.00 0.00 C ATOM 162 CG PRO A 11 -4.758 9.469 -0.135 1.00 0.00 C ATOM 163 CD PRO A 11 -3.480 9.976 -0.810 1.00 0.00 C ATOM 0 HA PRO A 11 -2.226 8.710 1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.903 8.213 1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.300 9.826 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.210 8.650 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.509 10.255 -0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.503 9.786 -1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.370 11.053 -0.679 1.00 0.00 H new ATOM 171 N PHE A 12 -3.174 6.565 -0.450 1.00 0.00 N ATOM 172 CA PHE A 12 -3.344 5.152 -0.775 1.00 0.00 C ATOM 173 C PHE A 12 -2.108 4.312 -0.440 1.00 0.00 C ATOM 174 O PHE A 12 -2.187 3.349 0.326 1.00 0.00 O ATOM 175 CB PHE A 12 -3.745 5.035 -2.252 1.00 0.00 C ATOM 176 CG PHE A 12 -4.653 3.864 -2.549 1.00 0.00 C ATOM 177 CD1 PHE A 12 -6.046 4.016 -2.420 1.00 0.00 C ATOM 178 CD2 PHE A 12 -4.119 2.660 -3.037 1.00 0.00 C ATOM 179 CE1 PHE A 12 -6.906 2.986 -2.833 1.00 0.00 C ATOM 180 CE2 PHE A 12 -4.980 1.631 -3.449 1.00 0.00 C ATOM 181 CZ PHE A 12 -6.373 1.806 -3.372 1.00 0.00 C ATOM 0 H PHE A 12 -3.394 7.184 -1.230 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.137 4.741 -0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.243 5.955 -2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.843 4.945 -2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.454 4.925 -2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.049 2.526 -3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.975 3.102 -2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.572 0.704 -3.825 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.034 1.030 -3.729 1.00 0.00 H new ATOM 191 N THR A 13 -0.949 4.694 -0.988 1.00 0.00 N ATOM 192 CA THR A 13 0.299 3.988 -0.730 1.00 0.00 C ATOM 193 C THR A 13 0.581 3.973 0.778 1.00 0.00 C ATOM 194 O THR A 13 0.999 2.959 1.336 1.00 0.00 O ATOM 195 CB THR A 13 1.442 4.588 -1.573 1.00 0.00 C ATOM 196 OG1 THR A 13 2.484 3.648 -1.734 1.00 0.00 O ATOM 197 CG2 THR A 13 2.029 5.886 -1.009 1.00 0.00 C ATOM 0 H THR A 13 -0.855 5.493 -1.615 1.00 0.00 H new ATOM 0 HA THR A 13 0.216 2.947 -1.042 1.00 0.00 H new ATOM 0 HB THR A 13 0.988 4.836 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.201 4.043 -2.273 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.826 6.239 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.247 6.643 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.432 5.701 -0.013 1.00 0.00 H new ATOM 205 N GLN A 14 0.317 5.104 1.440 1.00 0.00 N ATOM 206 CA GLN A 14 0.481 5.244 2.874 1.00 0.00 C ATOM 207 C GLN A 14 -0.466 4.307 3.621 1.00 0.00 C ATOM 208 O GLN A 14 -0.060 3.697 4.598 1.00 0.00 O ATOM 209 CB GLN A 14 0.294 6.714 3.282 1.00 0.00 C ATOM 210 CG GLN A 14 1.616 7.295 3.796 1.00 0.00 C ATOM 211 CD GLN A 14 1.544 8.810 3.944 1.00 0.00 C ATOM 212 OE1 GLN A 14 1.455 9.333 5.049 1.00 0.00 O ATOM 213 NE2 GLN A 14 1.594 9.530 2.827 1.00 0.00 N ATOM 0 H GLN A 14 -0.019 5.951 0.983 1.00 0.00 H new ATOM 0 HA GLN A 14 1.494 4.952 3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.059 7.293 2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.470 6.789 4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.861 6.846 4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.420 7.034 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.668 9.064 1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.558 10.548 2.875 1.00 0.00 H new ATOM 222 N ASN A 15 -1.709 4.171 3.164 1.00 0.00 N ATOM 223 CA ASN A 15 -2.725 3.314 3.763 1.00 0.00 C ATOM 224 C ASN A 15 -2.193 1.888 3.854 1.00 0.00 C ATOM 225 O ASN A 15 -2.211 1.274 4.917 1.00 0.00 O ATOM 226 CB ASN A 15 -4.025 3.371 2.938 1.00 0.00 C ATOM 227 CG ASN A 15 -5.232 3.736 3.794 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.584 4.904 3.908 1.00 0.00 O ATOM 229 ND2 ASN A 15 -5.891 2.749 4.394 1.00 0.00 N ATOM 0 H ASN A 15 -2.045 4.671 2.341 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.954 3.666 4.769 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.914 4.103 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.196 2.404 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.710 2.956 4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.577 1.785 4.283 1.00 0.00 H new ATOM 236 N LEU A 16 -1.693 1.373 2.731 1.00 0.00 N ATOM 237 CA LEU A 16 -1.097 0.039 2.663 1.00 0.00 C ATOM 238 C LEU A 16 0.163 -0.023 3.535 1.00 0.00 C ATOM 239 O LEU A 16 0.313 -0.950 4.331 1.00 0.00 O ATOM 240 CB LEU A 16 -0.796 -0.295 1.196 1.00 0.00 C ATOM 241 CG LEU A 16 -2.076 -0.319 0.333 1.00 0.00 C ATOM 242 CD1 LEU A 16 -1.821 0.240 -1.069 1.00 0.00 C ATOM 243 CD2 LEU A 16 -2.657 -1.722 0.222 1.00 0.00 C ATOM 0 H LEU A 16 -1.690 1.870 1.841 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.792 -0.706 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.100 0.441 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.302 -1.265 1.139 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.800 0.319 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.744 0.207 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.477 1.272 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.059 -0.360 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.556 -1.696 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.923 -2.385 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.908 -2.092 1.216 1.00 0.00 H new ATOM 255 N ALA A 17 1.057 0.964 3.413 1.00 0.00 N ATOM 256 CA ALA A 17 2.279 1.024 4.210 1.00 0.00 C ATOM 257 C ALA A 17 1.982 0.959 5.712 1.00 0.00 C ATOM 258 O ALA A 17 2.656 0.244 6.452 1.00 0.00 O ATOM 259 CB ALA A 17 3.056 2.298 3.871 1.00 0.00 C ATOM 0 H ALA A 17 0.951 1.740 2.760 1.00 0.00 H new ATOM 0 HA ALA A 17 2.887 0.154 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.967 2.338 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.316 2.295 2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.439 3.170 4.091 1.00 0.00 H new ATOM 265 N LYS A 18 0.978 1.712 6.163 1.00 0.00 N ATOM 266 CA LYS A 18 0.572 1.740 7.555 1.00 0.00 C ATOM 267 C LYS A 18 -0.072 0.408 7.901 1.00 0.00 C ATOM 268 O LYS A 18 0.357 -0.208 8.866 1.00 0.00 O ATOM 269 CB LYS A 18 -0.373 2.921 7.843 1.00 0.00 C ATOM 270 CG LYS A 18 0.234 3.935 8.821 1.00 0.00 C ATOM 271 CD LYS A 18 0.322 3.332 10.230 1.00 0.00 C ATOM 272 CE LYS A 18 0.534 4.407 11.304 1.00 0.00 C ATOM 273 NZ LYS A 18 1.956 4.808 11.423 1.00 0.00 N ATOM 0 H LYS A 18 0.424 2.322 5.562 1.00 0.00 H new ATOM 0 HA LYS A 18 1.448 1.889 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.616 3.424 6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.309 2.541 8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.227 4.228 8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.375 4.839 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.593 2.780 10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.143 2.616 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.069 5.282 11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.183 4.032 12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.051 5.536 12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.530 3.979 11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.286 5.191 10.514 1.00 0.00 H new ATOM 287 N PHE A 19 -1.067 -0.043 7.123 1.00 0.00 N ATOM 288 CA PHE A 19 -1.735 -1.330 7.318 1.00 0.00 C ATOM 289 C PHE A 19 -0.688 -2.408 7.592 1.00 0.00 C ATOM 290 O PHE A 19 -0.787 -3.114 8.594 1.00 0.00 O ATOM 291 CB PHE A 19 -2.605 -1.657 6.090 1.00 0.00 C ATOM 292 CG PHE A 19 -3.469 -2.914 6.129 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.321 -3.190 7.220 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.516 -3.758 5.000 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.169 -4.316 7.194 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.343 -4.896 4.989 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.196 -5.160 6.072 1.00 0.00 C ATOM 0 H PHE A 19 -1.432 0.486 6.331 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.398 -1.286 8.182 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.263 -0.807 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.945 -1.734 5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.323 -2.535 8.079 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.911 -3.528 4.135 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.802 -4.531 8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.321 -5.569 4.144 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.868 -6.005 6.043 1.00 0.00 H new ATOM 307 N ALA A 20 0.350 -2.463 6.746 1.00 0.00 N ATOM 308 CA ALA A 20 1.472 -3.377 6.911 1.00 0.00 C ATOM 309 C ALA A 20 1.988 -3.403 8.345 1.00 0.00 C ATOM 310 O ALA A 20 1.934 -4.441 9.003 1.00 0.00 O ATOM 311 CB ALA A 20 2.591 -3.102 5.901 1.00 0.00 C ATOM 0 H ALA A 20 0.428 -1.866 5.923 1.00 0.00 H new ATOM 0 HA ALA A 20 1.094 -4.377 6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.407 -3.807 6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.204 -3.218 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.959 -2.085 6.034 1.00 0.00 H new ATOM 317 N VAL A 21 2.506 -2.274 8.829 1.00 0.00 N ATOM 318 CA VAL A 21 3.130 -2.239 10.141 1.00 0.00 C ATOM 319 C VAL A 21 2.067 -2.335 11.229 1.00 0.00 C ATOM 320 O VAL A 21 2.179 -3.177 12.111 1.00 0.00 O ATOM 321 CB VAL A 21 3.988 -0.978 10.290 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.769 -1.020 11.612 1.00 0.00 C ATOM 323 CG2 VAL A 21 5.000 -0.937 9.151 1.00 0.00 C ATOM 0 H VAL A 21 2.504 -1.382 8.334 1.00 0.00 H new ATOM 0 HA VAL A 21 3.792 -3.098 10.248 1.00 0.00 H new ATOM 0 HB VAL A 21 3.337 -0.104 10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.375 -0.119 11.706 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.070 -1.076 12.446 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.418 -1.896 11.624 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.618 -0.044 9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.634 -1.823 9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.473 -0.915 8.197 1.00 0.00 H new ATOM 333 N ASP A 22 1.054 -1.469 11.162 1.00 0.00 N ATOM 334 CA ASP A 22 -0.074 -1.382 12.079 1.00 0.00 C ATOM 335 C ASP A 22 -0.595 -2.776 12.405 1.00 0.00 C ATOM 336 O ASP A 22 -0.462 -3.242 13.536 1.00 0.00 O ATOM 337 CB ASP A 22 -1.166 -0.500 11.447 1.00 0.00 C ATOM 338 CG ASP A 22 -2.370 -0.241 12.353 1.00 0.00 C ATOM 339 OD1 ASP A 22 -2.847 -1.200 12.993 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.807 0.930 12.369 1.00 0.00 O ATOM 0 H ASP A 22 1.000 -0.770 10.421 1.00 0.00 H new ATOM 0 HA ASP A 22 0.240 -0.926 13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.726 0.457 11.165 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.513 -0.974 10.529 1.00 0.00 H new ATOM 345 N GLU A 23 -1.176 -3.453 11.411 1.00 0.00 N ATOM 346 CA GLU A 23 -1.792 -4.733 11.650 1.00 0.00 C ATOM 347 C GLU A 23 -0.760 -5.762 12.083 1.00 0.00 C ATOM 348 O GLU A 23 -1.034 -6.560 12.975 1.00 0.00 O ATOM 349 CB GLU A 23 -2.544 -5.178 10.398 1.00 0.00 C ATOM 350 CG GLU A 23 -4.027 -5.361 10.693 1.00 0.00 C ATOM 351 CD GLU A 23 -4.719 -4.077 11.148 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.401 -3.015 10.567 1.00 0.00 O ATOM 353 OE2 GLU A 23 -5.560 -4.187 12.065 1.00 0.00 O ATOM 0 H GLU A 23 -1.226 -3.128 10.445 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.507 -4.640 12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.415 -4.438 9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.124 -6.114 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.524 -5.735 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.145 -6.122 11.465 1.00 0.00 H new ATOM 360 N GLU A 24 0.424 -5.759 11.464 1.00 0.00 N ATOM 361 CA GLU A 24 1.462 -6.677 11.892 1.00 0.00 C ATOM 362 C GLU A 24 1.774 -6.483 13.380 1.00 0.00 C ATOM 363 O GLU A 24 1.944 -7.464 14.093 1.00 0.00 O ATOM 364 CB GLU A 24 2.703 -6.550 10.998 1.00 0.00 C ATOM 365 CG GLU A 24 3.852 -7.451 11.465 1.00 0.00 C ATOM 366 CD GLU A 24 3.394 -8.869 11.794 1.00 0.00 C ATOM 367 OE1 GLU A 24 2.679 -9.458 10.957 1.00 0.00 O ATOM 368 OE2 GLU A 24 3.765 -9.355 12.882 1.00 0.00 O ATOM 0 H GLU A 24 0.676 -5.147 10.688 1.00 0.00 H new ATOM 0 HA GLU A 24 1.102 -7.700 11.779 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.437 -6.807 9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.038 -5.513 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.615 -7.492 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.318 -7.011 12.347 1.00 0.00 H new ATOM 375 N ASN A 25 1.833 -5.243 13.861 1.00 0.00 N ATOM 376 CA ASN A 25 2.106 -4.946 15.259 1.00 0.00 C ATOM 377 C ASN A 25 0.943 -5.423 16.127 1.00 0.00 C ATOM 378 O ASN A 25 1.135 -6.120 17.118 1.00 0.00 O ATOM 379 CB ASN A 25 2.336 -3.439 15.435 1.00 0.00 C ATOM 380 CG ASN A 25 3.286 -3.157 16.592 1.00 0.00 C ATOM 381 OD1 ASN A 25 2.901 -3.209 17.753 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.545 -2.846 16.282 1.00 0.00 N ATOM 0 H ASN A 25 1.691 -4.413 13.285 1.00 0.00 H new ATOM 0 HA ASN A 25 3.008 -5.472 15.573 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.745 -3.021 14.515 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.383 -2.942 15.614 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.217 -2.643 17.022 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.836 -2.811 15.305 1.00 0.00 H new ATOM 389 N LYS A 26 -0.274 -5.045 15.725 1.00 0.00 N ATOM 390 CA LYS A 26 -1.513 -5.368 16.419 1.00 0.00 C ATOM 391 C LYS A 26 -1.688 -6.883 16.577 1.00 0.00 C ATOM 392 O LYS A 26 -2.127 -7.345 17.627 1.00 0.00 O ATOM 393 CB LYS A 26 -2.676 -4.701 15.665 1.00 0.00 C ATOM 394 CG LYS A 26 -4.066 -4.984 16.254 1.00 0.00 C ATOM 395 CD LYS A 26 -4.781 -6.078 15.448 1.00 0.00 C ATOM 396 CE LYS A 26 -6.131 -6.463 16.062 1.00 0.00 C ATOM 397 NZ LYS A 26 -5.960 -7.178 17.338 1.00 0.00 N ATOM 0 H LYS A 26 -0.423 -4.490 14.882 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.490 -4.976 17.436 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.513 -3.623 15.653 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.660 -5.037 14.628 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.970 -5.295 17.294 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.662 -4.072 16.248 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.935 -5.732 14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.144 -6.961 15.393 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.727 -5.565 16.224 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.684 -7.091 15.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.883 -7.527 17.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.314 -7.982 17.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.562 -6.531 18.048 1.00 0.00 H new ATOM 411 N ILE A 27 -1.378 -7.653 15.530 1.00 0.00 N ATOM 412 CA ILE A 27 -1.506 -9.106 15.537 1.00 0.00 C ATOM 413 C ILE A 27 -0.265 -9.755 16.164 1.00 0.00 C ATOM 414 O ILE A 27 -0.383 -10.571 17.074 1.00 0.00 O ATOM 415 CB ILE A 27 -1.756 -9.619 14.104 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.060 -9.084 13.478 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.748 -11.151 14.074 1.00 0.00 C ATOM 418 CD1 ILE A 27 -4.346 -9.647 14.095 1.00 0.00 C ATOM 0 H ILE A 27 -1.028 -7.278 14.648 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.363 -9.387 16.150 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.938 -9.233 13.496 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.073 -7.998 13.572 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.055 -9.311 12.412 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.926 -11.496 13.055 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.780 -11.517 14.417 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.532 -11.532 14.728 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.211 -9.214 13.592 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.362 -10.730 13.977 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.381 -9.397 15.155 1.00 0.00 H new ATOM 430 N GLY A 28 0.919 -9.442 15.635 1.00 0.00 N ATOM 431 CA GLY A 28 2.190 -10.012 16.062 1.00 0.00 C ATOM 432 C GLY A 28 2.428 -11.403 15.467 1.00 0.00 C ATOM 433 O GLY A 28 2.673 -12.352 16.206 1.00 0.00 O ATOM 0 H GLY A 28 1.019 -8.766 14.877 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.002 -9.348 15.766 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.211 -10.075 17.150 1.00 0.00 H new ATOM 437 N GLN A 29 2.387 -11.526 14.134 1.00 0.00 N ATOM 438 CA GLN A 29 2.785 -12.750 13.437 1.00 0.00 C ATOM 439 C GLN A 29 4.298 -12.768 13.189 1.00 0.00 C ATOM 440 O GLN A 29 5.013 -13.565 13.790 1.00 0.00 O ATOM 441 CB GLN A 29 2.030 -12.890 12.109 1.00 0.00 C ATOM 442 CG GLN A 29 0.630 -13.481 12.286 1.00 0.00 C ATOM 443 CD GLN A 29 -0.176 -13.377 10.997 1.00 0.00 C ATOM 444 OE1 GLN A 29 -0.550 -14.382 10.405 1.00 0.00 O ATOM 445 NE2 GLN A 29 -0.441 -12.154 10.545 1.00 0.00 N ATOM 0 H GLN A 29 2.077 -10.780 13.512 1.00 0.00 H new ATOM 0 HA GLN A 29 2.528 -13.597 14.074 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.950 -11.911 11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.605 -13.524 11.434 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.708 -14.526 12.586 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.109 -12.957 13.088 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.115 -11.337 11.062 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.970 -12.033 9.681 1.00 0.00 H new ATOM 454 N TYR A 30 4.768 -11.929 12.260 1.00 0.00 N ATOM 455 CA TYR A 30 6.160 -11.884 11.815 1.00 0.00 C ATOM 456 C TYR A 30 6.856 -10.683 12.460 1.00 0.00 C ATOM 457 O TYR A 30 7.649 -10.846 13.383 1.00 0.00 O ATOM 458 CB TYR A 30 6.271 -11.895 10.271 1.00 0.00 C ATOM 459 CG TYR A 30 4.962 -11.942 9.497 1.00 0.00 C ATOM 460 CD1 TYR A 30 4.262 -13.158 9.383 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.423 -10.775 8.925 1.00 0.00 C ATOM 462 CE1 TYR A 30 2.998 -13.189 8.772 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.170 -10.813 8.289 1.00 0.00 C ATOM 464 CZ TYR A 30 2.444 -12.015 8.240 1.00 0.00 C ATOM 465 OH TYR A 30 1.206 -12.052 7.675 1.00 0.00 O ATOM 0 H TYR A 30 4.175 -11.247 11.787 1.00 0.00 H new ATOM 0 HA TYR A 30 6.675 -12.787 12.143 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.818 -11.005 9.962 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.872 -12.756 9.978 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.698 -14.069 9.766 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.974 -9.847 8.975 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.451 -14.118 8.712 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.766 -9.919 7.838 1.00 0.00 H new ATOM 0 HH TYR A 30 0.669 -12.748 8.109 1.00 0.00 H new ATOM 475 N GLY A 31 6.553 -9.478 11.971 1.00 0.00 N ATOM 476 CA GLY A 31 7.138 -8.231 12.442 1.00 0.00 C ATOM 477 C GLY A 31 7.702 -7.480 11.244 1.00 0.00 C ATOM 478 O GLY A 31 8.600 -7.991 10.581 1.00 0.00 O ATOM 0 H GLY A 31 5.877 -9.345 11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.385 -7.627 12.948 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.926 -8.432 13.168 1.00 0.00 H new ATOM 482 N ARG A 32 7.197 -6.279 10.944 1.00 0.00 N ATOM 483 CA ARG A 32 7.629 -5.498 9.791 1.00 0.00 C ATOM 484 C ARG A 32 8.958 -4.792 10.064 1.00 0.00 C ATOM 485 O ARG A 32 9.098 -3.603 9.790 1.00 0.00 O ATOM 486 CB ARG A 32 6.502 -4.538 9.369 1.00 0.00 C ATOM 487 CG ARG A 32 6.544 -4.097 7.894 1.00 0.00 C ATOM 488 CD ARG A 32 7.332 -2.809 7.583 1.00 0.00 C ATOM 489 NE ARG A 32 6.603 -1.974 6.611 1.00 0.00 N ATOM 490 CZ ARG A 32 6.787 -0.660 6.412 1.00 0.00 C ATOM 491 NH1 ARG A 32 7.811 -0.020 6.985 1.00 0.00 N ATOM 492 NH2 ARG A 32 5.921 0.014 5.645 1.00 0.00 N ATOM 0 H ARG A 32 6.474 -5.823 11.500 1.00 0.00 H new ATOM 0 HA ARG A 32 7.822 -6.163 8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.543 -5.019 9.562 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.546 -3.650 10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.973 -4.909 7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.519 -3.961 7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.496 -2.246 8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.314 -3.065 7.186 1.00 0.00 H new ATOM 0 HE ARG A 32 5.896 -2.436 6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.463 -0.531 7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.941 0.979 6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.132 -0.472 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.051 1.013 5.487 1.00 0.00 H new ATOM 506 N LEU A 33 9.946 -5.545 10.562 1.00 0.00 N ATOM 507 CA LEU A 33 11.299 -5.076 10.788 1.00 0.00 C ATOM 508 C LEU A 33 11.249 -3.720 11.502 1.00 0.00 C ATOM 509 O LEU A 33 10.617 -3.620 12.552 1.00 0.00 O ATOM 510 CB LEU A 33 12.054 -5.072 9.457 1.00 0.00 C ATOM 511 CG LEU A 33 12.129 -6.405 8.682 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.797 -7.507 9.512 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.805 -6.926 8.109 1.00 0.00 C ATOM 0 H LEU A 33 9.813 -6.522 10.823 1.00 0.00 H new ATOM 0 HA LEU A 33 11.856 -5.740 11.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.589 -4.330 8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.073 -4.735 9.648 1.00 0.00 H new ATOM 0 HG LEU A 33 12.743 -6.153 7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.831 -8.429 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.811 -7.203 9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.224 -7.673 10.424 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.980 -7.867 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.096 -7.088 8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.397 -6.194 7.412 1.00 0.00 H new ATOM 525 N THR A 34 11.904 -2.692 10.954 1.00 0.00 N ATOM 526 CA THR A 34 11.723 -1.317 11.415 1.00 0.00 C ATOM 527 C THR A 34 11.083 -0.482 10.296 1.00 0.00 C ATOM 528 O THR A 34 10.975 -0.952 9.166 1.00 0.00 O ATOM 529 CB THR A 34 13.062 -0.767 11.935 1.00 0.00 C ATOM 530 OG1 THR A 34 12.857 0.479 12.567 1.00 0.00 O ATOM 531 CG2 THR A 34 14.125 -0.621 10.840 1.00 0.00 C ATOM 0 H THR A 34 12.568 -2.790 10.186 1.00 0.00 H new ATOM 0 HA THR A 34 11.033 -1.270 12.258 1.00 0.00 H new ATOM 0 HB THR A 34 13.442 -1.498 12.648 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.713 0.823 12.897 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.044 -0.228 11.275 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.323 -1.595 10.393 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.765 0.064 10.073 1.00 0.00 H new ATOM 539 N PHE A 35 10.621 0.737 10.594 1.00 0.00 N ATOM 540 CA PHE A 35 10.056 1.673 9.630 1.00 0.00 C ATOM 541 C PHE A 35 11.068 2.165 8.581 1.00 0.00 C ATOM 542 O PHE A 35 11.546 3.294 8.643 1.00 0.00 O ATOM 543 CB PHE A 35 9.391 2.839 10.381 1.00 0.00 C ATOM 544 CG PHE A 35 7.994 3.110 9.889 1.00 0.00 C ATOM 545 CD1 PHE A 35 6.990 2.204 10.249 1.00 0.00 C ATOM 546 CD2 PHE A 35 7.699 4.196 9.044 1.00 0.00 C ATOM 547 CE1 PHE A 35 5.680 2.408 9.816 1.00 0.00 C ATOM 548 CE2 PHE A 35 6.378 4.393 8.599 1.00 0.00 C ATOM 549 CZ PHE A 35 5.365 3.498 8.986 1.00 0.00 C ATOM 0 H PHE A 35 10.633 1.106 11.545 1.00 0.00 H new ATOM 0 HA PHE A 35 9.302 1.137 9.054 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.361 2.613 11.447 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.997 3.738 10.263 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.229 1.347 10.862 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.482 4.875 8.739 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.902 1.724 10.121 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.143 5.232 7.960 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.350 3.647 8.647 1.00 0.00 H new ATOM 559 N ASN A 36 11.373 1.319 7.598 1.00 0.00 N ATOM 560 CA ASN A 36 12.203 1.643 6.441 1.00 0.00 C ATOM 561 C ASN A 36 11.370 2.411 5.403 1.00 0.00 C ATOM 562 O ASN A 36 11.248 3.627 5.522 1.00 0.00 O ATOM 563 CB ASN A 36 12.943 0.399 5.891 1.00 0.00 C ATOM 564 CG ASN A 36 12.682 -0.848 6.726 1.00 0.00 C ATOM 565 OD1 ASN A 36 11.473 -1.395 6.613 1.00 0.00 O flip ATOM 566 ND2 ASN A 36 13.521 -1.285 7.511 1.00 0.00 N flip ATOM 0 H ASN A 36 11.037 0.356 7.586 1.00 0.00 H new ATOM 0 HA ASN A 36 13.008 2.312 6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.628 0.217 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.014 0.598 5.866 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.439 -0.844 7.574 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.300 -2.089 8.099 1.00 0.00 H new ATOM 573 N LYS A 37 10.802 1.745 4.388 1.00 0.00 N ATOM 574 CA LYS A 37 10.132 2.396 3.261 1.00 0.00 C ATOM 575 C LYS A 37 9.538 1.319 2.340 1.00 0.00 C ATOM 576 O LYS A 37 9.579 0.131 2.653 1.00 0.00 O ATOM 577 CB LYS A 37 11.095 3.350 2.512 1.00 0.00 C ATOM 578 CG LYS A 37 12.436 2.680 2.173 1.00 0.00 C ATOM 579 CD LYS A 37 13.638 3.330 2.880 1.00 0.00 C ATOM 580 CE LYS A 37 14.334 4.343 1.964 1.00 0.00 C ATOM 581 NZ LYS A 37 15.428 5.035 2.669 1.00 0.00 N ATOM 0 H LYS A 37 10.797 0.727 4.329 1.00 0.00 H new ATOM 0 HA LYS A 37 9.317 3.019 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.620 3.693 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.277 4.233 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.388 1.627 2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.592 2.721 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.303 3.828 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.348 2.559 3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.729 3.832 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.608 5.074 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.881 5.714 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.045 5.541 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.131 4.338 2.988 1.00 0.00 H new ATOM 595 N VAL A 38 8.986 1.735 1.202 1.00 0.00 N ATOM 596 CA VAL A 38 8.368 0.892 0.188 1.00 0.00 C ATOM 597 C VAL A 38 8.934 1.306 -1.167 1.00 0.00 C ATOM 598 O VAL A 38 9.246 2.484 -1.353 1.00 0.00 O ATOM 599 CB VAL A 38 6.840 1.051 0.300 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.350 2.486 0.042 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.054 0.087 -0.597 1.00 0.00 C ATOM 0 H VAL A 38 8.958 2.723 0.952 1.00 0.00 H new ATOM 0 HA VAL A 38 8.587 -0.168 0.320 1.00 0.00 H new ATOM 0 HB VAL A 38 6.637 0.797 1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.265 2.523 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.801 3.161 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.636 2.793 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.985 0.257 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.323 0.259 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.294 -0.941 -0.325 1.00 0.00 H new ATOM 611 N ILE A 39 9.123 0.356 -2.089 1.00 0.00 N ATOM 612 CA ILE A 39 9.599 0.706 -3.425 1.00 0.00 C ATOM 613 C ILE A 39 8.476 1.372 -4.218 1.00 0.00 C ATOM 614 O ILE A 39 7.334 1.445 -3.765 1.00 0.00 O ATOM 615 CB ILE A 39 10.199 -0.506 -4.159 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.148 -1.559 -4.531 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.303 -1.141 -3.302 1.00 0.00 C ATOM 618 CD1 ILE A 39 8.692 -1.499 -5.991 1.00 0.00 C ATOM 0 H ILE A 39 8.957 -0.639 -1.937 1.00 0.00 H new ATOM 0 HA ILE A 39 10.413 1.424 -3.326 1.00 0.00 H new ATOM 0 HB ILE A 39 10.619 -0.137 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.555 -2.550 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.279 -1.434 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.724 -1.998 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.088 -0.407 -3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.882 -1.469 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.949 -2.276 -6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.253 -0.522 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.549 -1.656 -6.646 1.00 0.00 H new ATOM 630 N ARG A 40 8.794 1.865 -5.413 1.00 0.00 N ATOM 631 CA ARG A 40 7.871 2.625 -6.229 1.00 0.00 C ATOM 632 C ARG A 40 8.402 2.685 -7.664 1.00 0.00 C ATOM 633 O ARG A 40 9.620 2.649 -7.842 1.00 0.00 O ATOM 634 CB ARG A 40 7.667 4.023 -5.628 1.00 0.00 C ATOM 635 CG ARG A 40 8.986 4.719 -5.246 1.00 0.00 C ATOM 636 CD ARG A 40 8.937 5.191 -3.787 1.00 0.00 C ATOM 637 NE ARG A 40 7.938 6.252 -3.606 1.00 0.00 N ATOM 638 CZ ARG A 40 8.109 7.530 -3.972 1.00 0.00 C ATOM 639 NH1 ARG A 40 9.265 7.928 -4.514 1.00 0.00 N ATOM 640 NH2 ARG A 40 7.115 8.406 -3.797 1.00 0.00 N ATOM 0 H ARG A 40 9.712 1.742 -5.840 1.00 0.00 H new ATOM 0 HA ARG A 40 6.896 2.139 -6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.130 4.645 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.037 3.942 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.821 4.032 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.160 5.570 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.699 4.349 -3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.919 5.557 -3.487 1.00 0.00 H new ATOM 0 HE ARG A 40 7.051 5.998 -3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.022 7.258 -4.651 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.390 8.902 -4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.232 8.101 -3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.239 9.380 -4.073 1.00 0.00 H new ATOM 654 N PRO A 41 7.525 2.786 -8.677 1.00 0.00 N ATOM 655 CA PRO A 41 6.077 2.694 -8.556 1.00 0.00 C ATOM 656 C PRO A 41 5.662 1.258 -8.204 1.00 0.00 C ATOM 657 O PRO A 41 6.478 0.340 -8.242 1.00 0.00 O ATOM 658 CB PRO A 41 5.531 3.152 -9.909 1.00 0.00 C ATOM 659 CG PRO A 41 6.636 2.750 -10.887 1.00 0.00 C ATOM 660 CD PRO A 41 7.918 2.921 -10.068 1.00 0.00 C ATOM 0 HA PRO A 41 5.678 3.315 -7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.586 2.665 -10.147 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.349 4.227 -9.927 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.513 1.723 -11.231 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.638 3.385 -11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.658 2.168 -10.339 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.372 3.895 -10.253 1.00 0.00 H new ATOM 668 N CYS A 42 4.406 1.090 -7.791 1.00 0.00 N ATOM 669 CA CYS A 42 3.816 -0.170 -7.347 1.00 0.00 C ATOM 670 C CYS A 42 2.510 -0.348 -8.145 1.00 0.00 C ATOM 671 O CYS A 42 2.110 0.589 -8.839 1.00 0.00 O ATOM 672 CB CYS A 42 3.629 -0.131 -5.821 1.00 0.00 C ATOM 673 SG CYS A 42 5.165 -0.596 -4.955 1.00 0.00 S ATOM 0 H CYS A 42 3.743 1.864 -7.756 1.00 0.00 H new ATOM 0 HA CYS A 42 4.450 -1.036 -7.538 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.325 0.870 -5.515 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.826 -0.810 -5.533 1.00 0.00 H new ATOM 0 HG CYS A 42 5.800 0.478 -4.591 1.00 0.00 H new ATOM 679 N MET A 43 1.855 -1.518 -8.112 1.00 0.00 N ATOM 680 CA MET A 43 0.791 -1.826 -9.075 1.00 0.00 C ATOM 681 C MET A 43 -0.343 -2.632 -8.425 1.00 0.00 C ATOM 682 O MET A 43 -0.107 -3.423 -7.514 1.00 0.00 O ATOM 683 CB MET A 43 1.458 -2.531 -10.265 1.00 0.00 C ATOM 684 CG MET A 43 0.524 -2.875 -11.432 1.00 0.00 C ATOM 685 SD MET A 43 1.115 -2.442 -13.091 1.00 0.00 S ATOM 686 CE MET A 43 0.433 -0.778 -13.251 1.00 0.00 C ATOM 0 H MET A 43 2.042 -2.259 -7.436 1.00 0.00 H new ATOM 0 HA MET A 43 0.299 -0.921 -9.431 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.261 -1.895 -10.639 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.920 -3.451 -9.908 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.328 -3.947 -11.408 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.429 -2.373 -11.267 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.706 -0.365 -14.222 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.653 -0.820 -13.167 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.834 -0.143 -12.461 1.00 0.00 H new ATOM 696 N LYS A 44 -1.589 -2.413 -8.861 1.00 0.00 N ATOM 697 CA LYS A 44 -2.756 -3.095 -8.309 1.00 0.00 C ATOM 698 C LYS A 44 -3.600 -3.731 -9.411 1.00 0.00 C ATOM 699 O LYS A 44 -3.350 -3.480 -10.585 1.00 0.00 O ATOM 700 CB LYS A 44 -3.562 -2.119 -7.444 1.00 0.00 C ATOM 701 CG LYS A 44 -4.359 -1.041 -8.190 1.00 0.00 C ATOM 702 CD LYS A 44 -5.530 -0.572 -7.310 1.00 0.00 C ATOM 703 CE LYS A 44 -6.464 0.330 -8.125 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.629 0.759 -7.333 1.00 0.00 N ATOM 0 H LYS A 44 -1.812 -1.756 -9.608 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.423 -3.914 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.257 -2.697 -6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.875 -1.622 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.712 -0.198 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.734 -1.438 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.080 -1.434 -6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.151 -0.030 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.915 1.206 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.803 -0.204 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.239 1.367 -7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.166 -0.077 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.306 1.290 -6.499 1.00 0.00 H new ATOM 718 N LYS A 45 -4.617 -4.514 -9.041 1.00 0.00 N ATOM 719 CA LYS A 45 -5.600 -5.075 -9.962 1.00 0.00 C ATOM 720 C LYS A 45 -6.843 -5.486 -9.181 1.00 0.00 C ATOM 721 O LYS A 45 -6.863 -5.382 -7.955 1.00 0.00 O ATOM 722 CB LYS A 45 -5.016 -6.253 -10.766 1.00 0.00 C ATOM 723 CG LYS A 45 -4.817 -7.589 -10.038 1.00 0.00 C ATOM 724 CD LYS A 45 -3.871 -7.467 -8.845 1.00 0.00 C ATOM 725 CE LYS A 45 -3.313 -8.835 -8.429 1.00 0.00 C ATOM 726 NZ LYS A 45 -4.375 -9.794 -8.082 1.00 0.00 N ATOM 0 H LYS A 45 -4.780 -4.779 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.878 -4.314 -10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.669 -6.431 -11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.050 -5.941 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.783 -7.960 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.422 -8.326 -10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.048 -6.799 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.399 -7.017 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.712 -9.242 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.648 -8.708 -7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.026 -10.451 -7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.201 -9.279 -7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.649 -10.330 -8.930 1.00 0.00 H new ATOM 740 N THR A 46 -7.872 -5.974 -9.875 1.00 0.00 N ATOM 741 CA THR A 46 -9.001 -6.641 -9.248 1.00 0.00 C ATOM 742 C THR A 46 -8.892 -8.125 -9.572 1.00 0.00 C ATOM 743 O THR A 46 -8.744 -8.485 -10.739 1.00 0.00 O ATOM 744 CB THR A 46 -10.324 -5.988 -9.674 1.00 0.00 C ATOM 745 OG1 THR A 46 -11.383 -6.453 -8.860 1.00 0.00 O ATOM 746 CG2 THR A 46 -10.698 -6.226 -11.138 1.00 0.00 C ATOM 0 H THR A 46 -7.941 -5.915 -10.891 1.00 0.00 H new ATOM 0 HA THR A 46 -8.985 -6.535 -8.163 1.00 0.00 H new ATOM 0 HB THR A 46 -10.169 -4.916 -9.551 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.018 -6.838 -8.036 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.645 -5.732 -11.357 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.919 -5.820 -11.783 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.797 -7.296 -11.319 1.00 0.00 H new ATOM 754 N ILE A 47 -8.891 -8.978 -8.544 1.00 0.00 N ATOM 755 CA ILE A 47 -8.869 -10.417 -8.739 1.00 0.00 C ATOM 756 C ILE A 47 -10.279 -10.995 -8.678 1.00 0.00 C ATOM 757 O ILE A 47 -11.148 -10.524 -7.943 1.00 0.00 O ATOM 758 CB ILE A 47 -7.903 -11.100 -7.765 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.799 -12.590 -8.136 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.321 -10.905 -6.305 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.590 -13.255 -7.475 1.00 0.00 C ATOM 0 H ILE A 47 -8.905 -8.688 -7.566 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.487 -10.622 -9.739 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.921 -10.636 -7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.710 -13.105 -7.831 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.723 -12.691 -9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.607 -11.406 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.341 -9.841 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.313 -11.329 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.551 -14.306 -7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.677 -12.756 -7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.679 -13.177 -6.391 1.00 0.00 H new ATOM 773 N TYR A 48 -10.475 -12.043 -9.472 1.00 0.00 N ATOM 774 CA TYR A 48 -11.725 -12.725 -9.701 1.00 0.00 C ATOM 775 C TYR A 48 -11.531 -14.208 -9.396 1.00 0.00 C ATOM 776 O TYR A 48 -10.406 -14.698 -9.462 1.00 0.00 O ATOM 777 CB TYR A 48 -12.066 -12.519 -11.181 1.00 0.00 C ATOM 778 CG TYR A 48 -12.325 -11.101 -11.650 1.00 0.00 C ATOM 779 CD1 TYR A 48 -12.932 -10.165 -10.799 1.00 0.00 C ATOM 780 CD2 TYR A 48 -12.038 -10.742 -12.981 1.00 0.00 C ATOM 781 CE1 TYR A 48 -13.250 -8.878 -11.263 1.00 0.00 C ATOM 782 CE2 TYR A 48 -12.362 -9.458 -13.452 1.00 0.00 C ATOM 783 CZ TYR A 48 -12.964 -8.526 -12.592 1.00 0.00 C ATOM 784 OH TYR A 48 -13.219 -7.258 -13.029 1.00 0.00 O ATOM 0 H TYR A 48 -9.709 -12.458 -10.003 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.528 -12.346 -9.069 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.247 -12.925 -11.774 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.950 -13.115 -11.408 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.157 -10.437 -9.778 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.568 -11.455 -13.642 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.713 -8.162 -10.600 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.148 -9.188 -14.476 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.963 -7.179 -13.972 1.00 0.00 H new ATOM 923 N LYS A 57 -13.336 -12.273 -5.016 1.00 0.00 N ATOM 924 CA LYS A 57 -12.677 -11.795 -3.815 1.00 0.00 C ATOM 925 C LYS A 57 -12.757 -10.265 -3.760 1.00 0.00 C ATOM 926 O LYS A 57 -13.414 -9.732 -2.867 1.00 0.00 O ATOM 927 CB LYS A 57 -11.254 -12.379 -3.736 1.00 0.00 C ATOM 928 CG LYS A 57 -10.808 -12.650 -2.291 1.00 0.00 C ATOM 929 CD LYS A 57 -10.435 -11.354 -1.573 1.00 0.00 C ATOM 930 CE LYS A 57 -10.499 -11.509 -0.052 1.00 0.00 C ATOM 931 NZ LYS A 57 -10.452 -10.188 0.596 1.00 0.00 N ATOM 0 HA LYS A 57 -13.184 -12.146 -2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.214 -13.308 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.554 -11.687 -4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.610 -13.151 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.953 -13.326 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.429 -11.053 -1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.110 -10.558 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.415 -12.028 0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.666 -12.122 0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.521 -10.052 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.607 -9.446 -0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.194 -10.131 1.323 1.00 0.00 H new ATOM 945 N GLY A 58 -12.118 -9.553 -4.698 1.00 0.00 N ATOM 946 CA GLY A 58 -12.149 -8.094 -4.723 1.00 0.00 C ATOM 947 C GLY A 58 -10.873 -7.489 -5.299 1.00 0.00 C ATOM 948 O GLY A 58 -10.224 -8.067 -6.172 1.00 0.00 O ATOM 0 H GLY A 58 -11.572 -9.972 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.003 -7.763 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.299 -7.720 -3.710 1.00 0.00 H new ATOM 952 N TYR A 59 -10.534 -6.289 -4.823 1.00 0.00 N ATOM 953 CA TYR A 59 -9.302 -5.619 -5.216 1.00 0.00 C ATOM 954 C TYR A 59 -8.098 -6.370 -4.668 1.00 0.00 C ATOM 955 O TYR A 59 -8.227 -7.124 -3.704 1.00 0.00 O ATOM 956 CB TYR A 59 -9.292 -4.131 -4.811 1.00 0.00 C ATOM 957 CG TYR A 59 -10.050 -3.268 -5.804 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.521 -3.107 -7.096 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.323 -2.748 -5.504 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.223 -2.378 -8.070 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.038 -2.039 -6.486 1.00 0.00 C ATOM 962 CZ TYR A 59 -11.486 -1.846 -7.764 1.00 0.00 C ATOM 963 OH TYR A 59 -12.185 -1.159 -8.712 1.00 0.00 O ATOM 0 H TYR A 59 -11.103 -5.762 -4.160 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.244 -5.633 -6.304 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.736 -4.021 -3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.262 -3.782 -4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.566 -3.548 -7.342 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.750 -2.893 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.794 -2.227 -9.049 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.016 -1.641 -6.257 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.039 -0.860 -8.336 1.00 0.00 H new ATOM 973 N GLU A 60 -6.937 -6.158 -5.290 1.00 0.00 N ATOM 974 CA GLU A 60 -5.654 -6.594 -4.786 1.00 0.00 C ATOM 975 C GLU A 60 -4.623 -5.521 -5.127 1.00 0.00 C ATOM 976 O GLU A 60 -4.678 -4.941 -6.209 1.00 0.00 O ATOM 977 CB GLU A 60 -5.237 -7.927 -5.414 1.00 0.00 C ATOM 978 CG GLU A 60 -4.819 -9.013 -4.413 1.00 0.00 C ATOM 979 CD GLU A 60 -3.539 -9.714 -4.864 1.00 0.00 C ATOM 980 OE1 GLU A 60 -2.529 -8.993 -5.028 1.00 0.00 O ATOM 981 OE2 GLU A 60 -3.599 -10.942 -5.073 1.00 0.00 O ATOM 0 H GLU A 60 -6.872 -5.665 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.720 -6.741 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.066 -8.305 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.408 -7.746 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.666 -8.567 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.621 -9.744 -4.309 1.00 0.00 H new ATOM 988 N TYR A 61 -3.671 -5.300 -4.227 1.00 0.00 N ATOM 989 CA TYR A 61 -2.632 -4.289 -4.323 1.00 0.00 C ATOM 990 C TYR A 61 -1.286 -4.986 -4.176 1.00 0.00 C ATOM 991 O TYR A 61 -0.979 -5.451 -3.078 1.00 0.00 O ATOM 992 CB TYR A 61 -2.832 -3.251 -3.217 1.00 0.00 C ATOM 993 CG TYR A 61 -4.255 -2.750 -3.099 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.830 -1.995 -4.128 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.009 -3.043 -1.954 1.00 0.00 C ATOM 996 CE1 TYR A 61 -6.161 -1.567 -4.027 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.274 -2.459 -1.772 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.845 -1.710 -2.815 1.00 0.00 C ATOM 999 OH TYR A 61 -7.995 -1.006 -2.638 1.00 0.00 O ATOM 0 H TYR A 61 -3.602 -5.849 -3.370 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.673 -3.774 -5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.530 -3.686 -2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.173 -2.403 -3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.247 -1.742 -5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.616 -3.720 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.656 -1.129 -4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.803 -2.585 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.160 -0.885 -1.680 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.517 -5.090 -5.266 1.00 0.00 N ATOM 1010 CA GLN A 62 0.735 -5.826 -5.293 1.00 0.00 C ATOM 1011 C GLN A 62 1.895 -4.838 -5.214 1.00 0.00 C ATOM 1012 O GLN A 62 2.228 -4.152 -6.181 1.00 0.00 O ATOM 1013 CB GLN A 62 0.788 -6.716 -6.536 1.00 0.00 C ATOM 1014 CG GLN A 62 1.928 -7.737 -6.423 1.00 0.00 C ATOM 1015 CD GLN A 62 1.695 -8.955 -7.305 1.00 0.00 C ATOM 1016 OE1 GLN A 62 2.471 -9.234 -8.213 1.00 0.00 O ATOM 1017 NE2 GLN A 62 0.642 -9.720 -7.026 1.00 0.00 N ATOM 0 H GLN A 62 -0.756 -4.658 -6.159 1.00 0.00 H new ATOM 0 HA GLN A 62 0.813 -6.490 -4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.162 -7.236 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.931 -6.101 -7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.868 -7.262 -6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.028 -8.055 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.013 -9.464 -6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.464 -10.562 -7.573 1.00 0.00 H new ATOM 1026 N LEU A 63 2.497 -4.755 -4.032 1.00 0.00 N ATOM 1027 CA LEU A 63 3.558 -3.817 -3.733 1.00 0.00 C ATOM 1028 C LEU A 63 4.687 -4.544 -3.011 1.00 0.00 C ATOM 1029 O LEU A 63 4.610 -5.747 -2.756 1.00 0.00 O ATOM 1030 CB LEU A 63 2.980 -2.600 -2.990 1.00 0.00 C ATOM 1031 CG LEU A 63 2.170 -2.923 -1.722 1.00 0.00 C ATOM 1032 CD1 LEU A 63 3.072 -3.023 -0.488 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.107 -1.850 -1.463 1.00 0.00 C ATOM 0 H LEU A 63 2.251 -5.353 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 63 4.004 -3.412 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.802 -1.939 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.341 -2.046 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 63 1.689 -3.886 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.466 -3.252 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.807 -3.814 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.586 -2.074 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.548 -2.101 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.591 -0.882 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.424 -1.802 -2.311 1.00 0.00 H new ATOM 1045 N TYR A 64 5.759 -3.807 -2.736 1.00 0.00 N ATOM 1046 CA TYR A 64 7.014 -4.348 -2.270 1.00 0.00 C ATOM 1047 C TYR A 64 7.547 -3.432 -1.174 1.00 0.00 C ATOM 1048 O TYR A 64 8.039 -2.333 -1.446 1.00 0.00 O ATOM 1049 CB TYR A 64 7.950 -4.422 -3.476 1.00 0.00 C ATOM 1050 CG TYR A 64 7.968 -5.760 -4.183 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.499 -6.884 -3.527 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.496 -5.879 -5.504 1.00 0.00 C ATOM 1053 CE1 TYR A 64 8.536 -8.126 -4.177 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.558 -7.119 -6.162 1.00 0.00 C ATOM 1055 CZ TYR A 64 8.077 -8.242 -5.500 1.00 0.00 C ATOM 1056 OH TYR A 64 8.084 -9.445 -6.137 1.00 0.00 O ATOM 0 H TYR A 64 5.770 -2.792 -2.836 1.00 0.00 H new ATOM 0 HA TYR A 64 6.914 -5.347 -1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.660 -3.653 -4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.962 -4.186 -3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.879 -6.791 -2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.087 -5.018 -6.011 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.918 -8.994 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.206 -7.208 -7.179 1.00 0.00 H new ATOM 0 HH TYR A 64 7.730 -9.337 -7.045 1.00 0.00 H new ATOM 1066 N VAL A 65 7.427 -3.888 0.072 1.00 0.00 N ATOM 1067 CA VAL A 65 7.889 -3.152 1.235 1.00 0.00 C ATOM 1068 C VAL A 65 9.388 -3.421 1.361 1.00 0.00 C ATOM 1069 O VAL A 65 9.805 -4.581 1.380 1.00 0.00 O ATOM 1070 CB VAL A 65 7.091 -3.612 2.466 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.736 -3.147 3.774 1.00 0.00 C ATOM 1072 CG2 VAL A 65 5.662 -3.056 2.398 1.00 0.00 C ATOM 0 H VAL A 65 7.002 -4.787 0.298 1.00 0.00 H new ATOM 0 HA VAL A 65 7.732 -2.077 1.145 1.00 0.00 H new ATOM 0 HB VAL A 65 7.080 -4.702 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.139 -3.494 4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.743 -3.557 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.786 -2.058 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.101 -3.385 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.696 -1.967 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.172 -3.421 1.495 1.00 0.00 H new ATOM 1082 N TYR A 66 10.197 -2.360 1.438 1.00 0.00 N ATOM 1083 CA TYR A 66 11.619 -2.494 1.683 1.00 0.00 C ATOM 1084 C TYR A 66 11.771 -2.625 3.186 1.00 0.00 C ATOM 1085 O TYR A 66 11.354 -1.728 3.921 1.00 0.00 O ATOM 1086 CB TYR A 66 12.367 -1.257 1.173 1.00 0.00 C ATOM 1087 CG TYR A 66 13.896 -1.313 1.156 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.559 -2.440 0.658 1.00 0.00 C ATOM 1089 CD2 TYR A 66 14.642 -0.152 1.410 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.882 -2.351 0.200 1.00 0.00 C ATOM 1091 CE2 TYR A 66 15.983 -0.064 1.012 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.587 -1.143 0.344 1.00 0.00 C ATOM 1093 OH TYR A 66 17.869 -1.030 -0.096 1.00 0.00 O ATOM 0 H TYR A 66 9.880 -1.396 1.332 1.00 0.00 H new ATOM 0 HA TYR A 66 12.036 -3.357 1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.027 -1.053 0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.068 -0.407 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.046 -3.390 0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 66 14.179 0.681 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.356 -3.205 -0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.551 0.831 1.218 1.00 0.00 H new ATOM 0 HH TYR A 66 18.355 -1.860 0.095 1.00 0.00 H new ATOM 1103 N ALA A 67 12.343 -3.729 3.657 1.00 0.00 N ATOM 1104 CA ALA A 67 12.576 -3.904 5.075 1.00 0.00 C ATOM 1105 C ALA A 67 13.774 -4.807 5.280 1.00 0.00 C ATOM 1106 O ALA A 67 14.031 -5.659 4.440 1.00 0.00 O ATOM 1107 CB ALA A 67 11.307 -4.415 5.754 1.00 0.00 C ATOM 0 H ALA A 67 12.650 -4.509 3.076 1.00 0.00 H new ATOM 0 HA ALA A 67 12.812 -2.950 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.492 -4.544 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.502 -3.695 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.021 -5.372 5.317 1.00 0.00 H new ATOM 1113 N SER A 68 14.553 -4.587 6.343 1.00 0.00 N ATOM 1114 CA SER A 68 15.836 -5.272 6.529 1.00 0.00 C ATOM 1115 C SER A 68 16.703 -5.319 5.249 1.00 0.00 C ATOM 1116 O SER A 68 17.464 -6.260 5.051 1.00 0.00 O ATOM 1117 CB SER A 68 15.595 -6.670 7.125 1.00 0.00 C ATOM 1118 OG SER A 68 16.772 -7.262 7.641 1.00 0.00 O ATOM 0 H SER A 68 14.316 -3.936 7.092 1.00 0.00 H new ATOM 0 HA SER A 68 16.423 -4.685 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.853 -6.597 7.920 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.175 -7.319 6.356 1.00 0.00 H new ATOM 0 HG SER A 68 17.500 -7.160 6.993 1.00 0.00 H new ATOM 1124 N ASP A 69 16.596 -4.314 4.370 1.00 0.00 N ATOM 1125 CA ASP A 69 17.249 -4.276 3.060 1.00 0.00 C ATOM 1126 C ASP A 69 16.889 -5.476 2.155 1.00 0.00 C ATOM 1127 O ASP A 69 17.704 -5.926 1.353 1.00 0.00 O ATOM 1128 CB ASP A 69 18.765 -4.070 3.227 1.00 0.00 C ATOM 1129 CG ASP A 69 19.504 -3.849 1.904 1.00 0.00 C ATOM 1130 OD1 ASP A 69 18.930 -3.172 1.026 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.644 -4.349 1.805 1.00 0.00 O ATOM 0 H ASP A 69 16.036 -3.482 4.558 1.00 0.00 H new ATOM 0 HA ASP A 69 16.854 -3.414 2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.937 -3.212 3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.188 -4.940 3.729 1.00 0.00 H new ATOM 1136 N LYS A 70 15.656 -5.978 2.251 1.00 0.00 N ATOM 1137 CA LYS A 70 15.056 -6.918 1.313 1.00 0.00 C ATOM 1138 C LYS A 70 13.721 -6.330 0.871 1.00 0.00 C ATOM 1139 O LYS A 70 13.129 -5.517 1.581 1.00 0.00 O ATOM 1140 CB LYS A 70 14.796 -8.299 1.931 1.00 0.00 C ATOM 1141 CG LYS A 70 16.044 -9.157 2.176 1.00 0.00 C ATOM 1142 CD LYS A 70 16.727 -8.788 3.496 1.00 0.00 C ATOM 1143 CE LYS A 70 17.585 -9.932 4.046 1.00 0.00 C ATOM 1144 NZ LYS A 70 17.839 -9.743 5.485 1.00 0.00 N ATOM 0 H LYS A 70 15.027 -5.729 3.015 1.00 0.00 H new ATOM 0 HA LYS A 70 15.750 -7.062 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.278 -8.162 2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.120 -8.850 1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.765 -10.211 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.746 -9.025 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.352 -7.908 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.969 -8.519 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.080 -10.884 3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.531 -9.976 3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.422 -10.528 5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.340 -8.844 5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.934 -9.724 5.998 1.00 0.00 H new ATOM 1158 N LEU A 71 13.252 -6.752 -0.301 1.00 0.00 N ATOM 1159 CA LEU A 71 11.976 -6.358 -0.858 1.00 0.00 C ATOM 1160 C LEU A 71 10.984 -7.446 -0.466 1.00 0.00 C ATOM 1161 O LEU A 71 10.876 -8.467 -1.131 1.00 0.00 O ATOM 1162 CB LEU A 71 12.150 -6.204 -2.376 1.00 0.00 C ATOM 1163 CG LEU A 71 12.470 -4.760 -2.804 1.00 0.00 C ATOM 1164 CD1 LEU A 71 13.405 -3.982 -1.894 1.00 0.00 C ATOM 1165 CD2 LEU A 71 13.057 -4.745 -4.203 1.00 0.00 C ATOM 0 H LEU A 71 13.769 -7.395 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 71 11.605 -5.403 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.951 -6.862 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.238 -6.531 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 71 11.505 -4.255 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.556 -2.981 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.967 -3.910 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.364 -4.496 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.279 -3.718 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.975 -5.333 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.340 -5.173 -4.903 1.00 0.00 H new ATOM 1177 N PHE A 72 10.264 -7.252 0.634 1.00 0.00 N ATOM 1178 CA PHE A 72 9.239 -8.189 1.048 1.00 0.00 C ATOM 1179 C PHE A 72 8.004 -7.943 0.181 1.00 0.00 C ATOM 1180 O PHE A 72 7.457 -6.836 0.187 1.00 0.00 O ATOM 1181 CB PHE A 72 8.976 -8.003 2.542 1.00 0.00 C ATOM 1182 CG PHE A 72 10.102 -8.522 3.414 1.00 0.00 C ATOM 1183 CD1 PHE A 72 10.248 -9.901 3.660 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.018 -7.618 3.969 1.00 0.00 C ATOM 1185 CE1 PHE A 72 11.300 -10.363 4.473 1.00 0.00 C ATOM 1186 CE2 PHE A 72 12.060 -8.078 4.797 1.00 0.00 C ATOM 1187 CZ PHE A 72 12.214 -9.454 5.029 1.00 0.00 C ATOM 0 H PHE A 72 10.376 -6.449 1.254 1.00 0.00 H new ATOM 0 HA PHE A 72 9.543 -9.226 0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.823 -6.944 2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.052 -8.516 2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.553 -10.604 3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.924 -6.562 3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.404 -11.420 4.670 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.740 -7.373 5.253 1.00 0.00 H new ATOM 0 HZ PHE A 72 13.034 -9.812 5.634 1.00 0.00 H new ATOM 1197 N ARG A 73 7.590 -8.956 -0.591 1.00 0.00 N ATOM 1198 CA ARG A 73 6.415 -8.853 -1.436 1.00 0.00 C ATOM 1199 C ARG A 73 5.208 -8.669 -0.529 1.00 0.00 C ATOM 1200 O ARG A 73 5.149 -9.267 0.545 1.00 0.00 O ATOM 1201 CB ARG A 73 6.259 -10.109 -2.309 1.00 0.00 C ATOM 1202 CG ARG A 73 5.330 -9.861 -3.508 1.00 0.00 C ATOM 1203 CD ARG A 73 5.130 -11.169 -4.286 1.00 0.00 C ATOM 1204 NE ARG A 73 4.459 -10.954 -5.577 1.00 0.00 N ATOM 1205 CZ ARG A 73 4.178 -11.936 -6.450 1.00 0.00 C ATOM 1206 NH1 ARG A 73 4.435 -13.212 -6.136 1.00 0.00 N ATOM 1207 NH2 ARG A 73 3.646 -11.648 -7.641 1.00 0.00 N ATOM 0 H ARG A 73 8.062 -9.859 -0.641 1.00 0.00 H new ATOM 0 HA ARG A 73 6.509 -8.004 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.238 -10.426 -2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.862 -10.924 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.368 -9.481 -3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.758 -9.100 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.098 -11.639 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.541 -11.861 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 73 4.191 -10.002 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.846 -13.442 -5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.220 -13.954 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.451 -10.679 -7.892 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.435 -12.397 -8.300 1.00 0.00 H new ATOM 1221 N ALA A 74 4.246 -7.850 -0.940 1.00 0.00 N ATOM 1222 CA ALA A 74 3.036 -7.676 -0.173 1.00 0.00 C ATOM 1223 C ALA A 74 1.859 -7.456 -1.119 1.00 0.00 C ATOM 1224 O ALA A 74 1.817 -6.471 -1.853 1.00 0.00 O ATOM 1225 CB ALA A 74 3.246 -6.572 0.863 1.00 0.00 C ATOM 0 H ALA A 74 4.288 -7.301 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 74 2.790 -8.572 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.333 -6.439 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.063 -6.849 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.492 -5.639 0.356 1.00 0.00 H new ATOM 1231 N ASP A 75 0.931 -8.417 -1.116 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.245 -8.469 -1.959 1.00 0.00 C ATOM 1233 C ASP A 75 -1.464 -8.364 -1.050 1.00 0.00 C ATOM 1234 O ASP A 75 -1.944 -9.372 -0.550 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.239 -9.768 -2.780 1.00 0.00 C ATOM 1236 CG ASP A 75 0.058 -11.046 -1.991 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.202 -11.153 -1.495 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -0.846 -11.909 -1.943 1.00 0.00 O ATOM 0 H ASP A 75 0.992 -9.218 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.263 -7.647 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.211 -9.877 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.502 -9.672 -3.574 1.00 0.00 H new ATOM 1243 N ILE A 76 -1.965 -7.152 -0.816 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.121 -6.944 0.060 1.00 0.00 C ATOM 1245 C ILE A 76 -4.389 -7.045 -0.778 1.00 0.00 C ATOM 1246 O ILE A 76 -4.441 -6.420 -1.831 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.000 -5.580 0.758 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -1.902 -5.681 1.827 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.329 -5.148 1.397 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -1.130 -4.371 1.990 1.00 0.00 C ATOM 0 H ILE A 76 -1.588 -6.295 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.161 -7.706 0.838 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.742 -4.823 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.351 -5.957 2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.209 -6.478 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.202 -4.179 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.096 -5.071 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.633 -5.887 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.365 -4.493 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.657 -4.107 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.817 -3.578 2.286 1.00 0.00 H new ATOM 1262 N SER A 77 -5.401 -7.792 -0.322 1.00 0.00 N ATOM 1263 CA SER A 77 -6.680 -7.934 -1.005 1.00 0.00 C ATOM 1264 C SER A 77 -7.735 -7.051 -0.357 1.00 0.00 C ATOM 1265 O SER A 77 -7.543 -6.628 0.781 1.00 0.00 O ATOM 1266 CB SER A 77 -7.153 -9.383 -0.940 1.00 0.00 C ATOM 1267 OG SER A 77 -6.582 -10.142 -1.980 1.00 0.00 O ATOM 0 H SER A 77 -5.347 -8.322 0.548 1.00 0.00 H new ATOM 0 HA SER A 77 -6.541 -7.633 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.883 -9.816 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.240 -9.419 -1.012 1.00 0.00 H new ATOM 0 HG SER A 77 -6.896 -11.068 -1.920 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.866 -6.841 -1.045 1.00 0.00 N ATOM 1274 CA GLU A 78 -10.057 -6.255 -0.469 1.00 0.00 C ATOM 1275 C GLU A 78 -11.264 -7.177 -0.551 1.00 0.00 C ATOM 1276 O GLU A 78 -11.262 -8.150 -1.298 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.410 -4.940 -1.151 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.351 -3.871 -0.905 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.944 -2.479 -1.078 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.893 -2.353 -1.882 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.409 -1.553 -0.429 1.00 0.00 O ATOM 0 H GLU A 78 -8.968 -7.081 -2.031 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.821 -6.083 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.518 -5.104 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.374 -4.588 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.946 -3.977 0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.521 -4.007 -1.598 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.298 -6.829 0.215 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.586 -7.499 0.238 1.00 0.00 C ATOM 1290 C ASP A 79 -14.549 -6.829 -0.747 1.00 0.00 C ATOM 1291 O ASP A 79 -15.155 -5.814 -0.407 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.154 -7.443 1.665 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.371 -8.353 1.831 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -15.936 -8.770 0.795 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -15.714 -8.616 3.003 1.00 0.00 O ATOM 0 H ASP A 79 -12.253 -6.040 0.860 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.462 -8.540 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.381 -7.737 2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.433 -6.417 1.905 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.730 -7.422 -1.931 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.726 -7.035 -2.934 1.00 0.00 C ATOM 1302 C TYR A 80 -17.100 -6.656 -2.359 1.00 0.00 C ATOM 1303 O TYR A 80 -17.751 -5.766 -2.902 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.892 -8.175 -3.950 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.987 -7.963 -4.981 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -17.091 -6.739 -5.670 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.964 -8.958 -5.180 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -18.198 -6.484 -6.498 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -19.051 -8.715 -6.037 1.00 0.00 C ATOM 1310 CZ TYR A 80 -19.185 -7.469 -6.670 1.00 0.00 C ATOM 1311 OH TYR A 80 -20.274 -7.220 -7.450 1.00 0.00 O ATOM 0 H TYR A 80 -14.164 -8.217 -2.228 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.342 -6.131 -3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.946 -8.317 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.099 -9.098 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -16.317 -5.993 -5.562 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.878 -9.908 -4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -18.290 -5.533 -7.001 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -19.785 -9.488 -6.209 1.00 0.00 H new ATOM 0 HH TYR A 80 -20.856 -8.009 -7.461 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.549 -7.308 -1.278 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.797 -6.963 -0.581 1.00 0.00 C ATOM 1323 C LYS A 81 -18.926 -5.448 -0.365 1.00 0.00 C ATOM 1324 O LYS A 81 -20.017 -4.888 -0.311 1.00 0.00 O ATOM 1325 CB LYS A 81 -18.786 -7.656 0.789 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.110 -7.574 1.563 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.183 -8.413 0.864 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.400 -8.632 1.769 1.00 0.00 C ATOM 1329 NZ LYS A 81 -23.128 -9.857 1.389 1.00 0.00 N ATOM 0 H LYS A 81 -17.054 -8.095 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.639 -7.291 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.529 -8.706 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -17.997 -7.214 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -19.966 -7.931 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.436 -6.536 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.495 -7.915 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.763 -9.377 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.077 -8.704 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -23.067 -7.773 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -23.948 -9.983 2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.455 -9.775 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -22.496 -10.678 1.477 1.00 0.00 H new ATOM 1343 N THR A 82 -17.779 -4.821 -0.150 1.00 0.00 N ATOM 1344 CA THR A 82 -17.590 -3.428 0.194 1.00 0.00 C ATOM 1345 C THR A 82 -16.205 -2.942 -0.289 1.00 0.00 C ATOM 1346 O THR A 82 -16.051 -2.644 -1.470 1.00 0.00 O ATOM 1347 CB THR A 82 -17.859 -3.293 1.706 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.236 -3.535 1.967 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.540 -1.908 2.232 1.00 0.00 C ATOM 0 H THR A 82 -16.890 -5.316 -0.218 1.00 0.00 H new ATOM 0 HA THR A 82 -18.289 -2.765 -0.315 1.00 0.00 H new ATOM 0 HB THR A 82 -17.215 -4.018 2.203 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.406 -3.451 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.747 -1.868 3.301 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.487 -1.686 2.058 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.156 -1.172 1.715 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.210 -2.829 0.604 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.881 -2.267 0.359 1.00 0.00 C ATOM 1359 C ARG A 83 -13.043 -2.378 1.647 1.00 0.00 C ATOM 1360 O ARG A 83 -12.157 -1.569 1.910 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.977 -0.819 -0.176 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.719 -0.696 -1.690 1.00 0.00 C ATOM 1363 CD ARG A 83 -12.576 0.286 -1.997 1.00 0.00 C ATOM 1364 NE ARG A 83 -13.000 1.687 -1.851 1.00 0.00 N ATOM 1365 CZ ARG A 83 -13.640 2.395 -2.793 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -14.001 1.821 -3.945 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -13.919 3.685 -2.576 1.00 0.00 N ATOM 0 H ARG A 83 -15.321 -3.146 1.567 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.376 -2.837 -0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.968 -0.424 0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.258 -0.196 0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.475 -1.677 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.629 -0.361 -2.188 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.739 0.089 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.218 0.119 -3.013 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.792 2.154 -0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.790 0.837 -4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.488 2.367 -4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.645 4.125 -1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.406 4.228 -3.289 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.312 -3.404 2.464 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.450 -3.749 3.582 1.00 0.00 C ATOM 1383 C GLY A 84 -11.184 -4.377 3.012 1.00 0.00 C ATOM 1384 O GLY A 84 -11.233 -4.853 1.883 1.00 0.00 O ATOM 0 H GLY A 84 -14.128 -4.008 2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.207 -2.861 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.954 -4.445 4.253 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.079 -4.392 3.763 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.795 -4.948 3.337 1.00 0.00 C ATOM 1390 C ARG A 85 -8.489 -6.213 4.139 1.00 0.00 C ATOM 1391 O ARG A 85 -8.697 -6.223 5.350 1.00 0.00 O ATOM 1392 CB ARG A 85 -7.647 -3.930 3.477 1.00 0.00 C ATOM 1393 CG ARG A 85 -7.896 -2.821 4.508 1.00 0.00 C ATOM 1394 CD ARG A 85 -8.690 -1.660 3.882 1.00 0.00 C ATOM 1395 NE ARG A 85 -9.672 -1.077 4.806 1.00 0.00 N ATOM 1396 CZ ARG A 85 -9.386 -0.367 5.906 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -8.118 -0.194 6.291 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -10.383 0.171 6.617 1.00 0.00 N ATOM 0 H ARG A 85 -10.054 -4.008 4.708 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.874 -5.197 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.737 -4.464 3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.467 -3.470 2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.445 -3.226 5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.944 -2.452 4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.996 -0.884 3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.205 -2.017 2.990 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.658 -1.226 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.359 -0.604 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.909 0.348 7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.350 0.039 6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.176 0.713 7.456 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.976 -7.260 3.479 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.535 -8.487 4.127 1.00 0.00 C ATOM 1414 C LYS A 86 -6.018 -8.607 4.043 1.00 0.00 C ATOM 1415 O LYS A 86 -5.414 -8.405 2.986 1.00 0.00 O ATOM 1416 CB LYS A 86 -8.193 -9.726 3.511 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.689 -9.880 3.821 1.00 0.00 C ATOM 1418 CD LYS A 86 -10.042 -10.246 5.273 1.00 0.00 C ATOM 1419 CE LYS A 86 -10.106 -9.056 6.242 1.00 0.00 C ATOM 1420 NZ LYS A 86 -11.134 -9.263 7.278 1.00 0.00 N ATOM 0 H LYS A 86 -7.857 -7.271 2.466 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.840 -8.435 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.062 -9.690 2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.669 -10.613 3.866 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.190 -8.945 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.099 -10.647 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.006 -10.754 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.304 -10.958 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.134 -8.916 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.325 -8.144 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.153 -8.443 7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.065 -9.372 6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.911 -10.121 7.822 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.423 -8.955 5.183 1.00 0.00 N ATOM 1435 CA LEU A 87 -4.013 -9.262 5.316 1.00 0.00 C ATOM 1436 C LEU A 87 -3.637 -10.441 4.408 1.00 0.00 C ATOM 1437 O LEU A 87 -3.846 -11.596 4.769 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.744 -9.584 6.799 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.302 -9.311 7.234 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.163 -9.537 8.743 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.243 -10.129 6.492 1.00 0.00 C ATOM 0 H LEU A 87 -5.932 -9.031 6.064 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.400 -8.415 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.419 -8.994 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.978 -10.633 6.983 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.109 -8.270 6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.135 -9.341 9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.833 -8.862 9.275 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.422 -10.569 8.982 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.253 -9.868 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.424 -11.191 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.296 -9.911 5.425 1.00 0.00 H new ATOM 1453 N LEU A 88 -3.029 -10.144 3.256 1.00 0.00 N ATOM 1454 CA LEU A 88 -2.372 -11.124 2.387 1.00 0.00 C ATOM 1455 C LEU A 88 -0.963 -10.656 1.987 1.00 0.00 C ATOM 1456 O LEU A 88 -0.266 -11.322 1.227 1.00 0.00 O ATOM 1457 CB LEU A 88 -3.259 -11.435 1.175 1.00 0.00 C ATOM 1458 CG LEU A 88 -4.480 -12.317 1.485 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -5.287 -12.488 0.197 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -4.094 -13.714 1.987 1.00 0.00 C ATOM 0 H LEU A 88 -2.979 -9.192 2.893 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.239 -12.054 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.606 -10.496 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.653 -11.929 0.415 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.049 -11.823 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.159 -13.111 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.612 -11.511 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.665 -12.964 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.997 -14.290 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.501 -14.223 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.509 -13.623 2.902 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.515 -9.520 2.532 1.00 0.00 N ATOM 1473 CA ARG A 89 0.861 -9.072 2.435 1.00 0.00 C ATOM 1474 C ARG A 89 1.856 -10.076 3.011 1.00 0.00 C ATOM 1475 O ARG A 89 1.488 -10.995 3.741 1.00 0.00 O ATOM 1476 CB ARG A 89 1.057 -7.715 3.129 1.00 0.00 C ATOM 1477 CG ARG A 89 0.439 -7.612 4.518 1.00 0.00 C ATOM 1478 CD ARG A 89 0.676 -6.191 5.027 1.00 0.00 C ATOM 1479 NE ARG A 89 -0.550 -5.657 5.638 1.00 0.00 N ATOM 1480 CZ ARG A 89 -0.959 -5.995 6.870 1.00 0.00 C ATOM 1481 NH1 ARG A 89 -0.166 -6.695 7.690 1.00 0.00 N ATOM 1482 NH2 ARG A 89 -2.179 -5.648 7.272 1.00 0.00 N ATOM 0 H ARG A 89 -1.114 -8.883 3.058 1.00 0.00 H new ATOM 0 HA ARG A 89 1.063 -8.972 1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.125 -7.513 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.630 -6.935 2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.628 -7.831 4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.890 -8.340 5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.485 -6.189 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.989 -5.550 4.203 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.115 -5.000 5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.764 -6.979 7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.491 -6.944 8.624 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.794 -5.130 6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.499 -5.901 8.207 1.00 0.00 H new ATOM 1496 N PHE A 90 3.137 -9.779 2.777 1.00 0.00 N ATOM 1497 CA PHE A 90 4.274 -10.399 3.429 1.00 0.00 C ATOM 1498 C PHE A 90 4.569 -11.783 2.850 1.00 0.00 C ATOM 1499 O PHE A 90 4.273 -12.807 3.457 1.00 0.00 O ATOM 1500 CB PHE A 90 4.049 -10.385 4.948 1.00 0.00 C ATOM 1501 CG PHE A 90 5.186 -9.778 5.726 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.289 -10.557 6.111 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.095 -8.431 6.113 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.285 -9.994 6.928 1.00 0.00 C ATOM 1505 CE2 PHE A 90 6.032 -7.903 7.015 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.144 -8.676 7.396 1.00 0.00 C ATOM 0 H PHE A 90 3.413 -9.069 2.098 1.00 0.00 H new ATOM 0 HA PHE A 90 5.179 -9.824 3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.136 -9.831 5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.891 -11.407 5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.372 -11.582 5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.308 -7.805 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.157 -10.573 7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.900 -6.908 7.415 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.893 -8.255 8.051 1.00 0.00 H new ATOM 1516 N ASN A 91 5.178 -11.802 1.662 1.00 0.00 N ATOM 1517 CA ASN A 91 5.445 -13.014 0.903 1.00 0.00 C ATOM 1518 C ASN A 91 6.839 -12.967 0.279 1.00 0.00 C ATOM 1519 O ASN A 91 7.448 -11.902 0.154 1.00 0.00 O ATOM 1520 CB ASN A 91 4.362 -13.198 -0.174 1.00 0.00 C ATOM 1521 CG ASN A 91 3.692 -14.562 -0.060 1.00 0.00 C ATOM 1522 OD1 ASN A 91 2.657 -14.703 0.578 1.00 0.00 O ATOM 1523 ND2 ASN A 91 4.276 -15.591 -0.669 1.00 0.00 N ATOM 0 H ASN A 91 5.504 -10.955 1.196 1.00 0.00 H new ATOM 0 HA ASN A 91 5.417 -13.870 1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.612 -12.413 -0.076 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.808 -13.091 -1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.861 -16.521 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.138 -15.450 -1.195 1.00 0.00 H new ATOM 1530 N GLY A 92 7.323 -14.145 -0.123 1.00 0.00 N ATOM 1531 CA GLY A 92 8.633 -14.349 -0.723 1.00 0.00 C ATOM 1532 C GLY A 92 9.528 -15.079 0.280 1.00 0.00 C ATOM 1533 O GLY A 92 9.264 -16.249 0.550 1.00 0.00 O ATOM 0 H GLY A 92 6.790 -15.010 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.541 -14.931 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.076 -13.391 -0.996 1.00 0.00 H new ATOM 1537 N PRO A 93 10.544 -14.432 0.873 1.00 0.00 N ATOM 1538 CA PRO A 93 10.948 -13.049 0.647 1.00 0.00 C ATOM 1539 C PRO A 93 11.643 -12.903 -0.711 1.00 0.00 C ATOM 1540 O PRO A 93 12.014 -13.902 -1.324 1.00 0.00 O ATOM 1541 CB PRO A 93 11.898 -12.738 1.804 1.00 0.00 C ATOM 1542 CG PRO A 93 12.560 -14.085 2.091 1.00 0.00 C ATOM 1543 CD PRO A 93 11.417 -15.071 1.845 1.00 0.00 C ATOM 0 HA PRO A 93 10.103 -12.361 0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.632 -11.980 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.361 -12.361 2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.406 -14.271 1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.935 -14.144 3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.795 -16.021 1.466 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.881 -15.287 2.769 1.00 0.00 H new ATOM 1551 N VAL A 94 11.794 -11.664 -1.192 1.00 0.00 N ATOM 1552 CA VAL A 94 12.374 -11.357 -2.495 1.00 0.00 C ATOM 1553 C VAL A 94 13.661 -10.542 -2.292 1.00 0.00 C ATOM 1554 O VAL A 94 13.642 -9.517 -1.602 1.00 0.00 O ATOM 1555 CB VAL A 94 11.312 -10.640 -3.353 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.867 -9.636 -4.379 1.00 0.00 C ATOM 1557 CG2 VAL A 94 10.419 -11.675 -4.033 1.00 0.00 C ATOM 0 H VAL A 94 11.509 -10.833 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 94 12.660 -12.260 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 94 10.733 -10.029 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.042 -9.186 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.424 -8.856 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.529 -10.154 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.669 -11.167 -4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.027 -12.317 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.923 -12.282 -3.275 1.00 0.00 H new ATOM 1567 N PRO A 95 14.797 -10.981 -2.863 1.00 0.00 N ATOM 1568 CA PRO A 95 16.026 -10.213 -2.809 1.00 0.00 C ATOM 1569 C PRO A 95 15.885 -8.987 -3.718 1.00 0.00 C ATOM 1570 O PRO A 95 15.119 -9.023 -4.683 1.00 0.00 O ATOM 1571 CB PRO A 95 17.121 -11.163 -3.301 1.00 0.00 C ATOM 1572 CG PRO A 95 16.378 -12.072 -4.279 1.00 0.00 C ATOM 1573 CD PRO A 95 14.980 -12.184 -3.665 1.00 0.00 C ATOM 0 HA PRO A 95 16.261 -9.845 -1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.933 -10.624 -3.789 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.562 -11.729 -2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 95 16.344 -11.643 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.858 -13.047 -4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 95 14.218 -12.256 -4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.894 -13.080 -3.050 1.00 0.00 H new ATOM 1581 N PRO A 96 16.597 -7.891 -3.428 1.00 0.00 N ATOM 1582 CA PRO A 96 16.519 -6.688 -4.234 1.00 0.00 C ATOM 1583 C PRO A 96 17.231 -6.889 -5.578 1.00 0.00 C ATOM 1584 O PRO A 96 18.139 -7.713 -5.674 1.00 0.00 O ATOM 1585 CB PRO A 96 17.173 -5.597 -3.380 1.00 0.00 C ATOM 1586 CG PRO A 96 18.194 -6.373 -2.546 1.00 0.00 C ATOM 1587 CD PRO A 96 17.508 -7.719 -2.311 1.00 0.00 C ATOM 0 HA PRO A 96 15.495 -6.419 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.651 -4.836 -3.996 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.444 -5.086 -2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.139 -6.491 -3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.415 -5.865 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.236 -8.529 -2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.971 -7.725 -1.362 1.00 0.00 H new ATOM 1595 N PRO A 97 16.833 -6.147 -6.624 1.00 0.00 N ATOM 1596 CA PRO A 97 17.446 -6.246 -7.939 1.00 0.00 C ATOM 1597 C PRO A 97 18.878 -5.702 -7.908 1.00 0.00 C ATOM 1598 O PRO A 97 19.090 -4.673 -7.227 1.00 0.00 O ATOM 1599 CB PRO A 97 16.540 -5.429 -8.868 1.00 0.00 C ATOM 1600 CG PRO A 97 15.935 -4.378 -7.936 1.00 0.00 C ATOM 1601 CD PRO A 97 15.788 -5.135 -6.616 1.00 0.00 C ATOM 1602 OXT PRO A 97 19.732 -6.315 -8.583 1.00 0.00 O ATOM 0 HA PRO A 97 17.530 -7.277 -8.283 1.00 0.00 H new ATOM 0 HB2 PRO A 97 17.105 -4.970 -9.679 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.771 -6.050 -9.327 1.00 0.00 H new ATOM 0 HG2 PRO A 97 16.584 -3.508 -7.833 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.974 -4.017 -8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 97 15.900 -4.463 -5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 97 14.802 -5.591 -6.534 1.00 0.00 H new