USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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 82 LYS NZ :NH3+ -156:sc= -0.133 (180deg=-0.605) USER MOD Set 1.2: B 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 77 LYS NZ :NH3+ -165:sc= -0.0108 (180deg=-0.219) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS :FLIP no HE2:sc= -0.352 F(o=-1.3,f=-0.35) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -35:sc= 0.783 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.0046) USER MOD Single : A 20 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.045) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 139:sc= -2.83! (180deg=-6.65!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 150:sc= -0.431 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.567 (180deg=-0.938) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -121:sc= -0.836 (180deg=-2.7!) USER MOD Single : A 55 TYR OH : rot 73:sc= 1.49 USER MOD Single : A 57 SER OG : rot 180:sc= -1.09 USER MOD Single : A 59 ASN : amide:sc= -0.422 K(o=-0.42,f=-4.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= -0.608 (180deg=-1.72) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= -0.0127 (180deg=-0.137) USER MOD Single : A 76 GLN : amide:sc= -0.659 K(o=-0.66,f=-1.4!) USER MOD Single : B 102 SER OG : rot -157:sc= 1.2 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -19.618 -22.924 -8.073 1.00 0.00 N ATOM 51 CA LYS A 4 -18.851 -22.502 -9.236 1.00 0.00 C ATOM 52 C LYS A 4 -17.630 -23.388 -9.433 1.00 0.00 C ATOM 53 O LYS A 4 -17.168 -24.027 -8.488 1.00 0.00 O ATOM 54 CB LYS A 4 -18.355 -21.067 -9.044 1.00 0.00 C ATOM 55 CG LYS A 4 -19.386 -20.104 -8.463 1.00 0.00 C ATOM 56 CD LYS A 4 -18.737 -19.077 -7.539 1.00 0.00 C ATOM 57 CE LYS A 4 -19.006 -19.382 -6.074 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.399 -19.030 -5.679 1.00 0.00 N ATOM 0 HA LYS A 4 -19.506 -22.573 -10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.484 -21.083 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.021 -20.681 -10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.902 -19.590 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.139 -20.666 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.661 -19.059 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.115 -18.083 -7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.832 -20.442 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.302 -18.828 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.542 -19.253 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.558 -18.014 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.072 -19.577 -6.254 1.00 0.00 H new ATOM 72 N GLY A 5 -17.061 -23.365 -10.639 1.00 0.00 N ATOM 73 CA GLY A 5 -15.837 -24.110 -10.876 1.00 0.00 C ATOM 74 C GLY A 5 -14.719 -23.359 -10.194 1.00 0.00 C ATOM 75 O GLY A 5 -13.842 -22.780 -10.837 1.00 0.00 O ATOM 0 H GLY A 5 -17.421 -22.851 -11.444 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.919 -25.122 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.643 -24.202 -11.945 1.00 0.00 H new ATOM 79 N TRP A 6 -14.840 -23.289 -8.878 1.00 0.00 N ATOM 80 CA TRP A 6 -13.941 -22.525 -8.036 1.00 0.00 C ATOM 81 C TRP A 6 -12.682 -23.263 -7.614 1.00 0.00 C ATOM 82 O TRP A 6 -11.571 -22.863 -7.944 1.00 0.00 O ATOM 83 CB TRP A 6 -14.727 -22.177 -6.776 1.00 0.00 C ATOM 84 CG TRP A 6 -14.733 -20.738 -6.448 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.820 -19.936 -6.321 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.595 -19.935 -6.192 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.423 -18.667 -5.992 1.00 0.00 N ATOM 88 CE2 TRP A 6 -14.054 -18.645 -5.911 1.00 0.00 C ATOM 89 CE3 TRP A 6 -12.229 -20.189 -6.176 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.191 -17.605 -5.612 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.366 -19.164 -5.881 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.847 -17.877 -5.599 1.00 0.00 C ATOM 0 H TRP A 6 -15.576 -23.769 -8.360 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.604 -21.662 -8.611 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.756 -22.515 -6.898 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -14.307 -22.729 -5.935 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.844 -20.251 -6.459 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.042 -17.872 -5.834 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.852 -21.178 -6.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.563 -16.614 -5.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.302 -19.351 -5.866 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.147 -17.087 -5.368 1.00 0.00 H new ATOM 103 N HIS A 7 -12.883 -24.309 -6.838 1.00 0.00 N ATOM 104 CA HIS A 7 -11.781 -25.096 -6.283 1.00 0.00 C ATOM 105 C HIS A 7 -10.920 -25.771 -7.347 1.00 0.00 C ATOM 106 O HIS A 7 -9.848 -26.295 -7.044 1.00 0.00 O ATOM 107 CB HIS A 7 -12.340 -26.163 -5.353 1.00 0.00 C ATOM 108 CG HIS A 7 -11.320 -26.750 -4.427 1.00 0.00 C ATOM 109 ND1 HIS A 7 -10.299 -27.609 -4.661 1.00 0.00 N flip ATOM 110 CD2 HIS A 7 -11.280 -26.470 -3.077 1.00 0.00 C flip ATOM 111 CE1 HIS A 7 -9.668 -27.827 -3.462 1.00 0.00 C flip ATOM 112 NE2 HIS A 7 -10.278 -27.129 -2.522 1.00 0.00 N flip ATOM 0 H HIS A 7 -13.809 -24.643 -6.570 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.139 -24.397 -5.746 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.148 -25.730 -4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.776 -26.962 -5.952 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -10.046 -28.018 -5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.961 -25.814 -2.555 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.811 -28.466 -3.312 1.00 0.00 H new ATOM 121 N GLU A 8 -11.405 -25.797 -8.574 1.00 0.00 N ATOM 122 CA GLU A 8 -10.694 -26.458 -9.668 1.00 0.00 C ATOM 123 C GLU A 8 -9.194 -26.149 -9.690 1.00 0.00 C ATOM 124 O GLU A 8 -8.380 -27.068 -9.776 1.00 0.00 O ATOM 125 CB GLU A 8 -11.298 -26.073 -11.019 1.00 0.00 C ATOM 126 CG GLU A 8 -11.878 -24.668 -11.068 1.00 0.00 C ATOM 127 CD GLU A 8 -11.341 -23.855 -12.230 1.00 0.00 C ATOM 128 OE1 GLU A 8 -11.953 -23.899 -13.318 1.00 0.00 O ATOM 129 OE2 GLU A 8 -10.309 -23.175 -12.053 1.00 0.00 O ATOM 0 H GLU A 8 -12.290 -25.369 -8.845 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.810 -27.527 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.529 -26.163 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.083 -26.786 -11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.964 -24.730 -11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.652 -24.153 -10.134 1.00 0.00 H new ATOM 136 N HIS A 9 -8.816 -24.873 -9.647 1.00 0.00 N ATOM 137 CA HIS A 9 -7.395 -24.526 -9.703 1.00 0.00 C ATOM 138 C HIS A 9 -6.975 -23.502 -8.649 1.00 0.00 C ATOM 139 O HIS A 9 -6.148 -22.632 -8.920 1.00 0.00 O ATOM 140 CB HIS A 9 -7.039 -24.014 -11.103 1.00 0.00 C ATOM 141 CG HIS A 9 -6.131 -24.932 -11.861 1.00 0.00 C ATOM 142 ND1 HIS A 9 -6.570 -26.083 -12.480 1.00 0.00 N ATOM 143 CD2 HIS A 9 -4.799 -24.863 -12.098 1.00 0.00 C ATOM 144 CE1 HIS A 9 -5.548 -26.683 -13.066 1.00 0.00 C ATOM 145 NE2 HIS A 9 -4.463 -25.962 -12.849 1.00 0.00 N ATOM 0 H HIS A 9 -9.453 -24.080 -9.575 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.843 -25.439 -9.482 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.957 -23.871 -11.673 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.564 -23.037 -11.014 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.127 -24.088 -11.759 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.593 -27.605 -13.626 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.526 -26.186 -13.185 1.00 0.00 H new ATOM 154 N VAL A 10 -7.498 -23.632 -7.438 1.00 0.00 N ATOM 155 CA VAL A 10 -7.108 -22.727 -6.354 1.00 0.00 C ATOM 156 C VAL A 10 -6.302 -23.489 -5.313 1.00 0.00 C ATOM 157 O VAL A 10 -5.200 -23.083 -4.948 1.00 0.00 O ATOM 158 CB VAL A 10 -8.305 -22.029 -5.659 1.00 0.00 C ATOM 159 CG1 VAL A 10 -8.143 -20.519 -5.729 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.627 -22.452 -6.273 1.00 0.00 C ATOM 0 H VAL A 10 -8.183 -24.342 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.510 -21.941 -6.816 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.314 -22.336 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.989 -20.039 -5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.220 -20.228 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.103 -20.205 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.445 -21.944 -5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.639 -22.186 -7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.748 -23.530 -6.169 1.00 0.00 H new ATOM 170 N THR A 11 -6.851 -24.609 -4.858 1.00 0.00 N ATOM 171 CA THR A 11 -6.177 -25.449 -3.875 1.00 0.00 C ATOM 172 C THR A 11 -5.725 -24.634 -2.664 1.00 0.00 C ATOM 173 O THR A 11 -5.879 -23.414 -2.629 1.00 0.00 O ATOM 174 CB THR A 11 -4.976 -26.144 -4.522 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.861 -25.272 -4.574 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.248 -26.628 -5.934 1.00 0.00 C ATOM 0 H THR A 11 -7.763 -24.957 -5.155 1.00 0.00 H new ATOM 0 HA THR A 11 -6.885 -26.200 -3.526 1.00 0.00 H new ATOM 0 HB THR A 11 -4.772 -27.011 -3.893 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.170 -24.356 -4.733 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.355 -27.110 -6.332 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.071 -27.342 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.513 -25.780 -6.565 1.00 0.00 H new ATOM 184 N GLN A 12 -5.169 -25.320 -1.671 1.00 0.00 N ATOM 185 CA GLN A 12 -4.697 -24.663 -0.457 1.00 0.00 C ATOM 186 C GLN A 12 -3.393 -23.909 -0.708 1.00 0.00 C ATOM 187 O GLN A 12 -3.223 -22.776 -0.257 1.00 0.00 O ATOM 188 CB GLN A 12 -4.498 -25.690 0.658 1.00 0.00 C ATOM 189 CG GLN A 12 -3.418 -26.716 0.355 1.00 0.00 C ATOM 190 CD GLN A 12 -3.404 -27.858 1.351 1.00 0.00 C ATOM 191 OE1 GLN A 12 -4.217 -28.780 1.270 1.00 0.00 O ATOM 192 NE2 GLN A 12 -2.476 -27.803 2.301 1.00 0.00 N ATOM 0 H GLN A 12 -5.034 -26.331 -1.683 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.455 -23.942 -0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.243 -25.168 1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.440 -26.208 0.835 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.572 -27.115 -0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.445 -26.225 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.822 -27.021 2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.418 -28.543 3.000 1.00 0.00 H new ATOM 201 N ASP A 13 -2.470 -24.550 -1.419 1.00 0.00 N ATOM 202 CA ASP A 13 -1.175 -23.946 -1.717 1.00 0.00 C ATOM 203 C ASP A 13 -1.329 -22.633 -2.481 1.00 0.00 C ATOM 204 O ASP A 13 -0.832 -21.593 -2.048 1.00 0.00 O ATOM 205 CB ASP A 13 -0.306 -24.916 -2.524 1.00 0.00 C ATOM 206 CG ASP A 13 -1.076 -25.616 -3.627 1.00 0.00 C ATOM 207 OD1 ASP A 13 -1.779 -26.604 -3.325 1.00 0.00 O ATOM 208 OD2 ASP A 13 -0.979 -25.175 -4.791 1.00 0.00 O ATOM 0 H ASP A 13 -2.595 -25.488 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.689 -23.730 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.530 -24.370 -2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.117 -25.663 -1.852 1.00 0.00 H new ATOM 213 N LEU A 14 -2.012 -22.686 -3.618 1.00 0.00 N ATOM 214 CA LEU A 14 -2.220 -21.497 -4.439 1.00 0.00 C ATOM 215 C LEU A 14 -3.055 -20.458 -3.696 1.00 0.00 C ATOM 216 O LEU A 14 -2.763 -19.263 -3.746 1.00 0.00 O ATOM 217 CB LEU A 14 -2.898 -21.872 -5.760 1.00 0.00 C ATOM 218 CG LEU A 14 -2.188 -21.364 -7.017 1.00 0.00 C ATOM 219 CD1 LEU A 14 -2.303 -22.380 -8.143 1.00 0.00 C ATOM 220 CD2 LEU A 14 -2.763 -20.023 -7.447 1.00 0.00 C ATOM 0 H LEU A 14 -2.431 -23.537 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.244 -21.061 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.974 -22.958 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.916 -21.482 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.132 -21.228 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.792 -22.001 -9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.845 -23.319 -7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.355 -22.548 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.247 -19.676 -8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.826 -20.135 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.629 -19.296 -6.646 1.00 0.00 H new ATOM 232 N ARG A 15 -4.095 -20.919 -3.009 1.00 0.00 N ATOM 233 CA ARG A 15 -4.970 -20.025 -2.258 1.00 0.00 C ATOM 234 C ARG A 15 -4.177 -19.231 -1.225 1.00 0.00 C ATOM 235 O ARG A 15 -4.470 -18.064 -0.965 1.00 0.00 O ATOM 236 CB ARG A 15 -6.079 -20.823 -1.568 1.00 0.00 C ATOM 237 CG ARG A 15 -7.028 -19.964 -0.749 1.00 0.00 C ATOM 238 CD ARG A 15 -6.672 -19.991 0.729 1.00 0.00 C ATOM 239 NE ARG A 15 -7.111 -21.227 1.375 1.00 0.00 N ATOM 240 CZ ARG A 15 -6.872 -21.520 2.652 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.201 -20.672 3.421 1.00 0.00 N ATOM 242 NH2 ARG A 15 -7.306 -22.666 3.160 1.00 0.00 N ATOM 0 H ARG A 15 -4.352 -21.905 -2.957 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.422 -19.323 -2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.651 -21.362 -2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.626 -21.571 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.996 -18.937 -1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.050 -20.319 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.593 -19.885 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.131 -19.138 1.228 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.630 -21.904 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.865 -19.790 3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.021 -20.902 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.822 -23.321 2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.124 -22.892 4.138 1.00 0.00 H new ATOM 256 N SER A 16 -3.168 -19.870 -0.641 1.00 0.00 N ATOM 257 CA SER A 16 -2.330 -19.222 0.361 1.00 0.00 C ATOM 258 C SER A 16 -1.312 -18.297 -0.297 1.00 0.00 C ATOM 259 O SER A 16 -0.966 -17.249 0.249 1.00 0.00 O ATOM 260 CB SER A 16 -1.609 -20.273 1.208 1.00 0.00 C ATOM 261 OG SER A 16 -0.541 -19.694 1.939 1.00 0.00 O ATOM 0 H SER A 16 -2.911 -20.836 -0.845 1.00 0.00 H new ATOM 0 HA SER A 16 -2.974 -18.624 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.315 -20.737 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.226 -21.064 0.563 1.00 0.00 H new ATOM 0 HG SER A 16 -0.097 -20.386 2.473 1.00 0.00 H new ATOM 267 N HIS A 17 -0.836 -18.692 -1.474 1.00 0.00 N ATOM 268 CA HIS A 17 0.142 -17.898 -2.208 1.00 0.00 C ATOM 269 C HIS A 17 -0.422 -16.524 -2.555 1.00 0.00 C ATOM 270 O HIS A 17 0.234 -15.502 -2.351 1.00 0.00 O ATOM 271 CB HIS A 17 0.565 -18.626 -3.486 1.00 0.00 C ATOM 272 CG HIS A 17 2.014 -18.457 -3.819 1.00 0.00 C ATOM 273 ND1 HIS A 17 2.464 -18.128 -5.080 1.00 0.00 N ATOM 274 CD2 HIS A 17 3.120 -18.574 -3.046 1.00 0.00 C ATOM 275 CE1 HIS A 17 3.783 -18.049 -5.070 1.00 0.00 C ATOM 276 NE2 HIS A 17 4.205 -18.316 -3.848 1.00 0.00 N ATOM 0 H HIS A 17 -1.112 -19.557 -1.939 1.00 0.00 H new ATOM 0 HA HIS A 17 1.015 -17.762 -1.569 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.347 -19.689 -3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.036 -18.260 -4.319 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.144 -18.823 -1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.409 -17.807 -5.917 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.180 -18.329 -3.548 1.00 0.00 H new ATOM 285 N LEU A 18 -1.643 -16.507 -3.080 1.00 0.00 N ATOM 286 CA LEU A 18 -2.297 -15.258 -3.455 1.00 0.00 C ATOM 287 C LEU A 18 -2.466 -14.348 -2.242 1.00 0.00 C ATOM 288 O LEU A 18 -2.371 -13.126 -2.353 1.00 0.00 O ATOM 289 CB LEU A 18 -3.659 -15.542 -4.090 1.00 0.00 C ATOM 290 CG LEU A 18 -3.635 -15.746 -5.607 1.00 0.00 C ATOM 291 CD1 LEU A 18 -4.658 -16.793 -6.022 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.894 -14.431 -6.324 1.00 0.00 C ATOM 0 H LEU A 18 -2.200 -17.344 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.665 -14.749 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.081 -16.433 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.330 -14.714 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.645 -16.104 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.626 -16.924 -7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.427 -17.740 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.654 -16.466 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.873 -14.594 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.871 -14.045 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.123 -13.710 -6.051 1.00 0.00 H new ATOM 304 N VAL A 19 -2.715 -14.952 -1.085 1.00 0.00 N ATOM 305 CA VAL A 19 -2.895 -14.196 0.148 1.00 0.00 C ATOM 306 C VAL A 19 -1.663 -13.353 0.459 1.00 0.00 C ATOM 307 O VAL A 19 -1.765 -12.289 1.071 1.00 0.00 O ATOM 308 CB VAL A 19 -3.187 -15.128 1.341 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.453 -14.322 2.604 1.00 0.00 C ATOM 310 CG2 VAL A 19 -4.363 -16.043 1.028 1.00 0.00 C ATOM 0 H VAL A 19 -2.797 -15.963 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.751 -13.538 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.307 -15.747 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.657 -15.000 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.579 -13.715 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.314 -13.673 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.555 -16.694 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.248 -15.441 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.129 -16.650 0.154 1.00 0.00 H new ATOM 320 N HIS A 20 -0.500 -13.833 0.033 1.00 0.00 N ATOM 321 CA HIS A 20 0.752 -13.121 0.264 1.00 0.00 C ATOM 322 C HIS A 20 0.853 -11.892 -0.635 1.00 0.00 C ATOM 323 O HIS A 20 1.500 -10.906 -0.282 1.00 0.00 O ATOM 324 CB HIS A 20 1.944 -14.048 0.016 1.00 0.00 C ATOM 325 CG HIS A 20 2.293 -14.902 1.195 1.00 0.00 C ATOM 326 ND1 HIS A 20 3.081 -16.031 1.100 1.00 0.00 N ATOM 327 CD2 HIS A 20 1.959 -14.787 2.502 1.00 0.00 C ATOM 328 CE1 HIS A 20 3.214 -16.573 2.298 1.00 0.00 C ATOM 329 NE2 HIS A 20 2.543 -15.838 3.165 1.00 0.00 N ATOM 0 H HIS A 20 -0.398 -14.712 -0.474 1.00 0.00 H new ATOM 0 HA HIS A 20 0.767 -12.791 1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.723 -14.691 -0.836 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.811 -13.446 -0.256 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.347 -14.013 2.941 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.776 -17.466 2.528 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.470 -16.021 4.166 1.00 0.00 H new ATOM 338 N LYS A 21 0.209 -11.958 -1.796 1.00 0.00 N ATOM 339 CA LYS A 21 0.226 -10.849 -2.744 1.00 0.00 C ATOM 340 C LYS A 21 -0.314 -9.576 -2.101 1.00 0.00 C ATOM 341 O LYS A 21 0.262 -8.499 -2.254 1.00 0.00 O ATOM 342 CB LYS A 21 -0.599 -11.198 -3.983 1.00 0.00 C ATOM 343 CG LYS A 21 -0.137 -12.464 -4.686 1.00 0.00 C ATOM 344 CD LYS A 21 -0.902 -12.696 -5.979 1.00 0.00 C ATOM 345 CE LYS A 21 -0.213 -12.034 -7.161 1.00 0.00 C ATOM 346 NZ LYS A 21 -1.191 -11.534 -8.166 1.00 0.00 N ATOM 0 H LYS A 21 -0.331 -12.767 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 21 1.260 -10.674 -3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.643 -11.314 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.554 -10.366 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.929 -12.393 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.273 -13.319 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.992 -13.767 -6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.914 -12.303 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.399 -11.205 -6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.461 -12.748 -7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.681 -11.090 -8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.758 -12.329 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.818 -10.834 -7.721 1.00 0.00 H new ATOM 360 N LEU A 22 -1.421 -9.708 -1.377 1.00 0.00 N ATOM 361 CA LEU A 22 -2.036 -8.568 -0.707 1.00 0.00 C ATOM 362 C LEU A 22 -1.073 -7.952 0.303 1.00 0.00 C ATOM 363 O LEU A 22 -1.088 -6.743 0.535 1.00 0.00 O ATOM 364 CB LEU A 22 -3.327 -8.997 -0.005 1.00 0.00 C ATOM 365 CG LEU A 22 -4.604 -8.806 -0.826 1.00 0.00 C ATOM 366 CD1 LEU A 22 -4.887 -10.042 -1.666 1.00 0.00 C ATOM 367 CD2 LEU A 22 -5.781 -8.498 0.087 1.00 0.00 C ATOM 0 H LEU A 22 -1.910 -10.592 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.275 -7.818 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.242 -10.049 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.422 -8.434 0.923 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.460 -7.960 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.799 -9.889 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.053 -10.219 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.012 -10.905 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.681 -8.365 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.927 -9.324 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.579 -7.584 0.646 1.00 0.00 H new ATOM 379 N VAL A 23 -0.236 -8.794 0.900 1.00 0.00 N ATOM 380 CA VAL A 23 0.737 -8.337 1.884 1.00 0.00 C ATOM 381 C VAL A 23 1.877 -7.574 1.218 1.00 0.00 C ATOM 382 O VAL A 23 2.475 -6.682 1.819 1.00 0.00 O ATOM 383 CB VAL A 23 1.321 -9.516 2.686 1.00 0.00 C ATOM 384 CG1 VAL A 23 2.220 -9.014 3.805 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.204 -10.387 3.241 1.00 0.00 C ATOM 0 H VAL A 23 -0.212 -9.798 0.719 1.00 0.00 H new ATOM 0 HA VAL A 23 0.208 -7.671 2.565 1.00 0.00 H new ATOM 0 HB VAL A 23 1.927 -10.123 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.621 -9.863 4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.041 -8.437 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.643 -8.382 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.634 -11.215 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.430 -9.791 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.394 -10.780 2.419 1.00 0.00 H new ATOM 395 N GLN A 24 2.172 -7.929 -0.029 1.00 0.00 N ATOM 396 CA GLN A 24 3.240 -7.277 -0.777 1.00 0.00 C ATOM 397 C GLN A 24 2.774 -5.939 -1.341 1.00 0.00 C ATOM 398 O GLN A 24 3.566 -5.011 -1.499 1.00 0.00 O ATOM 399 CB GLN A 24 3.721 -8.183 -1.913 1.00 0.00 C ATOM 400 CG GLN A 24 4.940 -7.645 -2.646 1.00 0.00 C ATOM 401 CD GLN A 24 5.502 -8.635 -3.646 1.00 0.00 C ATOM 402 OE1 GLN A 24 6.188 -9.588 -3.275 1.00 0.00 O ATOM 403 NE2 GLN A 24 5.215 -8.414 -4.924 1.00 0.00 N ATOM 0 H GLN A 24 1.686 -8.665 -0.542 1.00 0.00 H new ATOM 0 HA GLN A 24 4.068 -7.092 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.956 -9.167 -1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.909 -8.319 -2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.671 -6.724 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.712 -7.389 -1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.643 -7.612 -5.187 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.567 -9.047 -5.643 1.00 0.00 H new ATOM 412 N ALA A 25 1.481 -5.847 -1.642 1.00 0.00 N ATOM 413 CA ALA A 25 0.909 -4.622 -2.189 1.00 0.00 C ATOM 414 C ALA A 25 1.154 -3.436 -1.261 1.00 0.00 C ATOM 415 O ALA A 25 1.580 -2.369 -1.701 1.00 0.00 O ATOM 416 CB ALA A 25 -0.581 -4.802 -2.434 1.00 0.00 C ATOM 0 H ALA A 25 0.811 -6.606 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 25 1.402 -4.413 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.996 -3.881 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.738 -5.616 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.078 -5.039 -1.493 1.00 0.00 H new ATOM 422 N ILE A 26 0.883 -3.632 0.026 1.00 0.00 N ATOM 423 CA ILE A 26 1.074 -2.578 1.014 1.00 0.00 C ATOM 424 C ILE A 26 2.554 -2.363 1.311 1.00 0.00 C ATOM 425 O ILE A 26 3.025 -1.227 1.379 1.00 0.00 O ATOM 426 CB ILE A 26 0.340 -2.901 2.330 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.106 -3.313 2.045 1.00 0.00 C ATOM 428 CG2 ILE A 26 0.381 -1.704 3.267 1.00 0.00 C ATOM 429 CD1 ILE A 26 -1.885 -3.686 3.288 1.00 0.00 C ATOM 0 H ILE A 26 0.531 -4.510 0.408 1.00 0.00 H new ATOM 0 HA ILE A 26 0.656 -1.666 0.587 1.00 0.00 H new ATOM 0 HB ILE A 26 0.846 -3.735 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.616 -2.493 1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.105 -4.160 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.142 -1.948 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.418 -1.453 3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.104 -0.852 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.901 -3.967 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.399 -4.526 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.917 -2.834 3.967 1.00 0.00 H new ATOM 441 N PHE A 27 3.283 -3.460 1.486 1.00 0.00 N ATOM 442 CA PHE A 27 4.710 -3.391 1.775 1.00 0.00 C ATOM 443 C PHE A 27 5.505 -4.270 0.811 1.00 0.00 C ATOM 444 O PHE A 27 5.938 -5.366 1.167 1.00 0.00 O ATOM 445 CB PHE A 27 4.983 -3.820 3.219 1.00 0.00 C ATOM 446 CG PHE A 27 6.070 -3.025 3.886 1.00 0.00 C ATOM 447 CD1 PHE A 27 7.246 -2.734 3.214 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.912 -2.568 5.184 1.00 0.00 C ATOM 449 CE1 PHE A 27 8.247 -2.004 3.826 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.910 -1.836 5.802 1.00 0.00 C ATOM 451 CZ PHE A 27 8.078 -1.553 5.121 1.00 0.00 C ATOM 0 H PHE A 27 2.909 -4.407 1.433 1.00 0.00 H new ATOM 0 HA PHE A 27 5.031 -2.357 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.065 -3.722 3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.256 -4.875 3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.382 -3.082 2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.000 -2.786 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.160 -1.786 3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.776 -1.486 6.815 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.858 -0.980 5.600 1.00 0.00 H new ATOM 461 N PRO A 28 5.708 -3.797 -0.431 1.00 0.00 N ATOM 462 CA PRO A 28 6.454 -4.544 -1.449 1.00 0.00 C ATOM 463 C PRO A 28 7.851 -4.934 -0.975 1.00 0.00 C ATOM 464 O PRO A 28 8.172 -6.118 -0.867 1.00 0.00 O ATOM 465 CB PRO A 28 6.544 -3.564 -2.623 1.00 0.00 C ATOM 466 CG PRO A 28 5.404 -2.626 -2.427 1.00 0.00 C ATOM 467 CD PRO A 28 5.226 -2.500 -0.940 1.00 0.00 C ATOM 0 HA PRO A 28 5.964 -5.485 -1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.496 -3.034 -2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.468 -4.084 -3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.614 -1.657 -2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.498 -3.008 -2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.803 -1.669 -0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.184 -2.325 -0.673 1.00 0.00 H new ATOM 475 N THR A 29 8.676 -3.932 -0.693 1.00 0.00 N ATOM 476 CA THR A 29 10.039 -4.171 -0.231 1.00 0.00 C ATOM 477 C THR A 29 10.045 -4.769 1.173 1.00 0.00 C ATOM 478 O THR A 29 9.104 -4.577 1.944 1.00 0.00 O ATOM 479 CB THR A 29 10.843 -2.870 -0.244 1.00 0.00 C ATOM 480 OG1 THR A 29 10.270 -1.914 0.630 1.00 0.00 O ATOM 481 CG2 THR A 29 10.938 -2.239 -1.617 1.00 0.00 C ATOM 0 H THR A 29 8.425 -2.947 -0.776 1.00 0.00 H new ATOM 0 HA THR A 29 10.503 -4.884 -0.912 1.00 0.00 H new ATOM 0 HB THR A 29 11.845 -3.149 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.801 -1.091 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.521 -1.320 -1.556 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.424 -2.932 -2.303 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.937 -2.010 -1.982 1.00 0.00 H new ATOM 489 N PRO A 30 11.113 -5.506 1.525 1.00 0.00 N ATOM 490 CA PRO A 30 11.242 -6.133 2.842 1.00 0.00 C ATOM 491 C PRO A 30 11.571 -5.123 3.936 1.00 0.00 C ATOM 492 O PRO A 30 12.143 -4.067 3.666 1.00 0.00 O ATOM 493 CB PRO A 30 12.401 -7.110 2.650 1.00 0.00 C ATOM 494 CG PRO A 30 13.236 -6.496 1.581 1.00 0.00 C ATOM 495 CD PRO A 30 12.279 -5.783 0.663 1.00 0.00 C ATOM 0 HA PRO A 30 10.314 -6.605 3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.968 -7.238 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.043 -8.097 2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.962 -5.801 2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.800 -7.257 1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.712 -4.864 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.007 -6.402 -0.192 1.00 0.00 H new ATOM 503 N ASP A 31 11.207 -5.455 5.171 1.00 0.00 N ATOM 504 CA ASP A 31 11.465 -4.578 6.305 1.00 0.00 C ATOM 505 C ASP A 31 11.374 -5.350 7.620 1.00 0.00 C ATOM 506 O ASP A 31 10.297 -5.472 8.201 1.00 0.00 O ATOM 507 CB ASP A 31 10.470 -3.415 6.313 1.00 0.00 C ATOM 508 CG ASP A 31 11.063 -2.144 5.735 1.00 0.00 C ATOM 509 OD1 ASP A 31 11.046 -1.991 4.495 1.00 0.00 O ATOM 510 OD2 ASP A 31 11.542 -1.302 6.523 1.00 0.00 O ATOM 0 H ASP A 31 10.732 -6.326 5.411 1.00 0.00 H new ATOM 0 HA ASP A 31 12.476 -4.182 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.585 -3.693 5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.142 -3.228 7.335 1.00 0.00 H new ATOM 515 N PRO A 32 12.509 -5.883 8.109 1.00 0.00 N ATOM 516 CA PRO A 32 12.544 -6.643 9.363 1.00 0.00 C ATOM 517 C PRO A 32 12.144 -5.792 10.563 1.00 0.00 C ATOM 518 O PRO A 32 11.663 -6.310 11.571 1.00 0.00 O ATOM 519 CB PRO A 32 14.006 -7.088 9.483 1.00 0.00 C ATOM 520 CG PRO A 32 14.768 -6.152 8.609 1.00 0.00 C ATOM 521 CD PRO A 32 13.840 -5.786 7.486 1.00 0.00 C ATOM 0 HA PRO A 32 11.839 -7.474 9.352 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.352 -7.033 10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.132 -8.121 9.159 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.078 -5.266 9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.674 -6.624 8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.037 -4.782 7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.941 -6.468 6.641 1.00 0.00 H new ATOM 529 N ALA A 33 12.341 -4.483 10.445 1.00 0.00 N ATOM 530 CA ALA A 33 11.996 -3.560 11.517 1.00 0.00 C ATOM 531 C ALA A 33 10.501 -3.263 11.522 1.00 0.00 C ATOM 532 O ALA A 33 9.929 -2.919 12.556 1.00 0.00 O ATOM 533 CB ALA A 33 12.792 -2.271 11.380 1.00 0.00 C ATOM 0 H ALA A 33 12.738 -4.039 9.617 1.00 0.00 H new ATOM 0 HA ALA A 33 12.250 -4.031 12.466 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.524 -1.590 12.188 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.858 -2.494 11.432 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.566 -1.804 10.422 1.00 0.00 H new ATOM 539 N ALA A 34 9.872 -3.397 10.358 1.00 0.00 N ATOM 540 CA ALA A 34 8.444 -3.141 10.230 1.00 0.00 C ATOM 541 C ALA A 34 7.626 -4.285 10.818 1.00 0.00 C ATOM 542 O ALA A 34 6.552 -4.069 11.380 1.00 0.00 O ATOM 543 CB ALA A 34 8.075 -2.921 8.771 1.00 0.00 C ATOM 0 H ALA A 34 10.329 -3.681 9.492 1.00 0.00 H new ATOM 0 HA ALA A 34 8.211 -2.237 10.792 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.005 -2.731 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.626 -2.065 8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.330 -3.810 8.193 1.00 0.00 H new ATOM 549 N LEU A 35 8.142 -5.503 10.687 1.00 0.00 N ATOM 550 CA LEU A 35 7.458 -6.682 11.210 1.00 0.00 C ATOM 551 C LEU A 35 7.240 -6.558 12.714 1.00 0.00 C ATOM 552 O LEU A 35 6.261 -7.073 13.254 1.00 0.00 O ATOM 553 CB LEU A 35 8.263 -7.946 10.901 1.00 0.00 C ATOM 554 CG LEU A 35 8.854 -8.015 9.490 1.00 0.00 C ATOM 555 CD1 LEU A 35 9.458 -9.386 9.233 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.791 -7.695 8.449 1.00 0.00 C ATOM 0 H LEU A 35 9.029 -5.700 10.224 1.00 0.00 H new ATOM 0 HA LEU A 35 6.485 -6.754 10.723 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.076 -8.025 11.622 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.619 -8.813 11.051 1.00 0.00 H new ATOM 0 HG LEU A 35 9.646 -7.270 9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.873 -9.418 8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.249 -9.577 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.685 -10.148 9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.230 -7.749 7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.977 -8.416 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.404 -6.691 8.621 1.00 0.00 H new ATOM 568 N LYS A 36 8.157 -5.866 13.383 1.00 0.00 N ATOM 569 CA LYS A 36 8.065 -5.669 14.824 1.00 0.00 C ATOM 570 C LYS A 36 7.215 -4.446 15.153 1.00 0.00 C ATOM 571 O LYS A 36 6.643 -4.349 16.239 1.00 0.00 O ATOM 572 CB LYS A 36 9.462 -5.511 15.427 1.00 0.00 C ATOM 573 CG LYS A 36 9.481 -5.588 16.946 1.00 0.00 C ATOM 574 CD LYS A 36 9.507 -4.202 17.573 1.00 0.00 C ATOM 575 CE LYS A 36 10.915 -3.806 17.986 1.00 0.00 C ATOM 576 NZ LYS A 36 11.336 -4.476 19.247 1.00 0.00 N ATOM 0 H LYS A 36 8.972 -5.433 12.949 1.00 0.00 H new ATOM 0 HA LYS A 36 7.587 -6.548 15.257 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.113 -6.287 15.024 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.877 -4.553 15.115 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.602 -6.130 17.295 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.354 -6.153 17.272 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.116 -3.473 16.864 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.852 -4.183 18.444 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.612 -4.063 17.189 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.964 -2.725 18.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.302 -4.178 19.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.686 -4.211 20.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.315 -5.507 19.116 1.00 0.00 H new ATOM 590 N ASP A 37 7.134 -3.511 14.209 1.00 0.00 N ATOM 591 CA ASP A 37 6.353 -2.295 14.403 1.00 0.00 C ATOM 592 C ASP A 37 4.886 -2.625 14.662 1.00 0.00 C ATOM 593 O ASP A 37 4.365 -3.619 14.158 1.00 0.00 O ATOM 594 CB ASP A 37 6.474 -1.385 13.179 1.00 0.00 C ATOM 595 CG ASP A 37 6.044 0.039 13.472 1.00 0.00 C ATOM 596 OD1 ASP A 37 4.823 0.294 13.512 1.00 0.00 O ATOM 597 OD2 ASP A 37 6.930 0.899 13.660 1.00 0.00 O ATOM 0 H ASP A 37 7.600 -3.573 13.304 1.00 0.00 H new ATOM 0 HA ASP A 37 6.749 -1.775 15.275 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.507 -1.385 12.830 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.864 -1.786 12.370 1.00 0.00 H new ATOM 602 N ARG A 38 4.226 -1.784 15.452 1.00 0.00 N ATOM 603 CA ARG A 38 2.819 -1.985 15.779 1.00 0.00 C ATOM 604 C ARG A 38 1.949 -1.896 14.528 1.00 0.00 C ATOM 605 O ARG A 38 0.876 -2.496 14.463 1.00 0.00 O ATOM 606 CB ARG A 38 2.360 -0.952 16.809 1.00 0.00 C ATOM 607 CG ARG A 38 2.689 -1.336 18.242 1.00 0.00 C ATOM 608 CD ARG A 38 4.059 -0.824 18.656 1.00 0.00 C ATOM 609 NE ARG A 38 5.137 -1.656 18.128 1.00 0.00 N ATOM 610 CZ ARG A 38 6.430 -1.404 18.316 1.00 0.00 C ATOM 611 NH1 ARG A 38 6.810 -0.342 19.016 1.00 0.00 N ATOM 612 NH2 ARG A 38 7.345 -2.213 17.802 1.00 0.00 N ATOM 0 H ARG A 38 4.643 -0.956 15.878 1.00 0.00 H new ATOM 0 HA ARG A 38 2.711 -2.983 16.203 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.826 0.007 16.582 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.283 -0.813 16.717 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.930 -0.931 18.912 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.658 -2.421 18.345 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.185 0.200 18.303 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.122 -0.796 19.744 1.00 0.00 H new ATOM 0 HE ARG A 38 4.884 -2.480 17.582 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.110 0.285 19.412 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.802 -0.153 19.158 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.058 -3.029 17.262 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.336 -2.019 17.946 1.00 0.00 H new ATOM 626 N ARG A 39 2.417 -1.141 13.537 1.00 0.00 N ATOM 627 CA ARG A 39 1.680 -0.973 12.289 1.00 0.00 C ATOM 628 C ARG A 39 1.383 -2.323 11.643 1.00 0.00 C ATOM 629 O ARG A 39 0.261 -2.581 11.208 1.00 0.00 O ATOM 630 CB ARG A 39 2.473 -0.096 11.319 1.00 0.00 C ATOM 631 CG ARG A 39 1.599 0.733 10.393 1.00 0.00 C ATOM 632 CD ARG A 39 0.728 -0.147 9.512 1.00 0.00 C ATOM 633 NE ARG A 39 1.510 -1.160 8.805 1.00 0.00 N ATOM 634 CZ ARG A 39 2.205 -0.919 7.696 1.00 0.00 C ATOM 635 NH1 ARG A 39 2.219 0.296 7.163 1.00 0.00 N ATOM 636 NH2 ARG A 39 2.888 -1.898 7.118 1.00 0.00 N ATOM 0 H ARG A 39 3.303 -0.636 13.575 1.00 0.00 H new ATOM 0 HA ARG A 39 0.733 -0.486 12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.118 0.572 11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.124 -0.731 10.718 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.967 1.396 10.984 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.228 1.366 9.768 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.030 -0.636 10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.200 0.474 8.788 1.00 0.00 H new ATOM 0 HE ARG A 39 1.524 -2.107 9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.695 1.052 7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.754 0.474 6.313 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.880 -2.834 7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.421 -1.715 6.268 1.00 0.00 H new ATOM 650 N MET A 40 2.397 -3.181 11.583 1.00 0.00 N ATOM 651 CA MET A 40 2.247 -4.506 10.989 1.00 0.00 C ATOM 652 C MET A 40 1.094 -5.270 11.634 1.00 0.00 C ATOM 653 O MET A 40 0.461 -6.110 10.994 1.00 0.00 O ATOM 654 CB MET A 40 3.545 -5.303 11.132 1.00 0.00 C ATOM 655 CG MET A 40 3.793 -6.272 9.988 1.00 0.00 C ATOM 656 SD MET A 40 4.830 -5.567 8.693 1.00 0.00 S ATOM 657 CE MET A 40 4.159 -6.379 7.244 1.00 0.00 C ATOM 0 H MET A 40 3.332 -2.983 11.939 1.00 0.00 H new ATOM 0 HA MET A 40 2.023 -4.375 9.930 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.383 -4.609 11.197 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.519 -5.859 12.069 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.267 -7.173 10.377 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.837 -6.574 9.559 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.092 -5.664 6.424 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.811 -7.203 6.954 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.165 -6.765 7.471 1.00 0.00 H new ATOM 667 N GLU A 41 0.825 -4.971 12.900 1.00 0.00 N ATOM 668 CA GLU A 41 -0.255 -5.630 13.626 1.00 0.00 C ATOM 669 C GLU A 41 -1.584 -5.449 12.898 1.00 0.00 C ATOM 670 O GLU A 41 -2.400 -6.368 12.836 1.00 0.00 O ATOM 671 CB GLU A 41 -0.358 -5.073 15.047 1.00 0.00 C ATOM 672 CG GLU A 41 -0.729 -6.119 16.085 1.00 0.00 C ATOM 673 CD GLU A 41 0.390 -7.110 16.339 1.00 0.00 C ATOM 674 OE1 GLU A 41 0.707 -7.896 15.420 1.00 0.00 O ATOM 675 OE2 GLU A 41 0.951 -7.101 17.455 1.00 0.00 O ATOM 0 H GLU A 41 1.339 -4.278 13.444 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.030 -6.695 13.678 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.596 -4.623 15.322 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.103 -4.277 15.063 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.988 -5.622 17.020 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.617 -6.657 15.753 1.00 0.00 H new ATOM 682 N ASN A 42 -1.790 -4.258 12.347 1.00 0.00 N ATOM 683 CA ASN A 42 -3.016 -3.953 11.618 1.00 0.00 C ATOM 684 C ASN A 42 -2.961 -4.518 10.202 1.00 0.00 C ATOM 685 O ASN A 42 -3.989 -4.864 9.621 1.00 0.00 O ATOM 686 CB ASN A 42 -3.242 -2.442 11.570 1.00 0.00 C ATOM 687 CG ASN A 42 -3.961 -1.925 12.801 1.00 0.00 C ATOM 688 OD1 ASN A 42 -5.173 -1.709 12.781 1.00 0.00 O ATOM 689 ND2 ASN A 42 -3.215 -1.724 13.881 1.00 0.00 N ATOM 0 H ASN A 42 -1.123 -3.487 12.391 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.849 -4.420 12.143 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.281 -1.937 11.475 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.823 -2.192 10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.643 -1.377 14.739 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.214 -1.917 13.852 1.00 0.00 H new ATOM 696 N LEU A 43 -1.753 -4.606 9.651 1.00 0.00 N ATOM 697 CA LEU A 43 -1.565 -5.127 8.301 1.00 0.00 C ATOM 698 C LEU A 43 -2.113 -6.546 8.183 1.00 0.00 C ATOM 699 O LEU A 43 -2.867 -6.856 7.262 1.00 0.00 O ATOM 700 CB LEU A 43 -0.080 -5.105 7.927 1.00 0.00 C ATOM 701 CG LEU A 43 0.230 -4.534 6.543 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.718 -4.629 6.246 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.575 -5.260 5.475 1.00 0.00 C ATOM 0 H LEU A 43 -0.891 -4.324 10.118 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.116 -4.488 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.458 -4.521 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.307 -6.123 7.979 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.055 -3.482 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.919 -4.218 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.275 -4.064 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.029 -5.673 6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.342 -4.841 4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.321 -6.320 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.639 -5.140 5.677 1.00 0.00 H new ATOM 715 N VAL A 44 -1.729 -7.404 9.123 1.00 0.00 N ATOM 716 CA VAL A 44 -2.182 -8.789 9.125 1.00 0.00 C ATOM 717 C VAL A 44 -3.702 -8.869 9.213 1.00 0.00 C ATOM 718 O VAL A 44 -4.357 -9.427 8.333 1.00 0.00 O ATOM 719 CB VAL A 44 -1.569 -9.579 10.295 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.902 -11.058 10.176 1.00 0.00 C ATOM 721 CG2 VAL A 44 -0.064 -9.366 10.353 1.00 0.00 C ATOM 0 H VAL A 44 -1.105 -7.164 9.893 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.851 -9.232 8.186 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.001 -9.208 11.224 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.460 -11.599 11.012 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.984 -11.190 10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.501 -11.447 9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.352 -9.932 11.186 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.388 -9.707 9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.148 -8.306 10.493 1.00 0.00 H new ATOM 731 N ALA A 45 -4.257 -8.307 10.282 1.00 0.00 N ATOM 732 CA ALA A 45 -5.701 -8.312 10.486 1.00 0.00 C ATOM 733 C ALA A 45 -6.425 -7.663 9.312 1.00 0.00 C ATOM 734 O ALA A 45 -7.445 -8.167 8.843 1.00 0.00 O ATOM 735 CB ALA A 45 -6.052 -7.600 11.784 1.00 0.00 C ATOM 0 H ALA A 45 -3.729 -7.842 11.020 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.030 -9.349 10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.133 -7.611 11.924 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.573 -8.110 12.620 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.702 -6.569 11.739 1.00 0.00 H new ATOM 741 N TYR A 46 -5.889 -6.542 8.840 1.00 0.00 N ATOM 742 CA TYR A 46 -6.483 -5.824 7.717 1.00 0.00 C ATOM 743 C TYR A 46 -6.495 -6.693 6.464 1.00 0.00 C ATOM 744 O TYR A 46 -7.534 -6.876 5.832 1.00 0.00 O ATOM 745 CB TYR A 46 -5.713 -4.529 7.450 1.00 0.00 C ATOM 746 CG TYR A 46 -6.265 -3.722 6.295 1.00 0.00 C ATOM 747 CD1 TYR A 46 -5.840 -3.955 4.994 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.211 -2.726 6.508 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.341 -3.220 3.936 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.717 -1.987 5.456 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.279 -2.238 4.173 1.00 0.00 C ATOM 752 OH TYR A 46 -7.781 -1.504 3.123 1.00 0.00 O ATOM 0 H TYR A 46 -5.045 -6.111 9.217 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.513 -5.578 7.976 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.728 -3.915 8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.670 -4.772 7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.105 -4.724 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.556 -2.527 7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.000 -3.414 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.452 -1.217 5.638 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.699 -1.228 3.326 1.00 0.00 H new ATOM 762 N ALA A 47 -5.330 -7.227 6.109 1.00 0.00 N ATOM 763 CA ALA A 47 -5.205 -8.077 4.932 1.00 0.00 C ATOM 764 C ALA A 47 -5.928 -9.405 5.134 1.00 0.00 C ATOM 765 O ALA A 47 -6.388 -10.025 4.174 1.00 0.00 O ATOM 766 CB ALA A 47 -3.738 -8.317 4.608 1.00 0.00 C ATOM 0 H ALA A 47 -4.459 -7.085 6.621 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.672 -7.563 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.659 -8.953 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.248 -7.363 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.254 -8.806 5.453 1.00 0.00 H new ATOM 772 N LYS A 48 -6.024 -9.837 6.387 1.00 0.00 N ATOM 773 CA LYS A 48 -6.689 -11.093 6.715 1.00 0.00 C ATOM 774 C LYS A 48 -8.182 -11.016 6.415 1.00 0.00 C ATOM 775 O LYS A 48 -8.788 -11.995 5.979 1.00 0.00 O ATOM 776 CB LYS A 48 -6.470 -11.440 8.189 1.00 0.00 C ATOM 777 CG LYS A 48 -5.229 -12.279 8.440 1.00 0.00 C ATOM 778 CD LYS A 48 -5.181 -12.790 9.870 1.00 0.00 C ATOM 779 CE LYS A 48 -5.778 -14.183 9.984 1.00 0.00 C ATOM 780 NZ LYS A 48 -7.227 -14.196 9.645 1.00 0.00 N ATOM 0 H LYS A 48 -5.650 -9.336 7.192 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.254 -11.877 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.396 -10.517 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.343 -11.977 8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.214 -13.123 7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.339 -11.684 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.148 -12.806 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.725 -12.105 10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.244 -14.862 9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.639 -14.555 10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.666 -15.056 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.687 -13.358 10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.342 -14.184 8.611 1.00 0.00 H new ATOM 794 N LYS A 49 -8.772 -9.849 6.653 1.00 0.00 N ATOM 795 CA LYS A 49 -10.195 -9.649 6.411 1.00 0.00 C ATOM 796 C LYS A 49 -10.466 -9.381 4.933 1.00 0.00 C ATOM 797 O LYS A 49 -11.487 -9.806 4.393 1.00 0.00 O ATOM 798 CB LYS A 49 -10.722 -8.489 7.257 1.00 0.00 C ATOM 799 CG LYS A 49 -9.973 -7.185 7.039 1.00 0.00 C ATOM 800 CD LYS A 49 -10.779 -5.991 7.523 1.00 0.00 C ATOM 801 CE LYS A 49 -10.371 -4.715 6.805 1.00 0.00 C ATOM 802 NZ LYS A 49 -11.532 -3.812 6.572 1.00 0.00 N ATOM 0 H LYS A 49 -8.286 -9.028 7.013 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.716 -10.563 6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.777 -8.334 7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.660 -8.762 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.020 -7.219 7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.747 -7.067 5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.841 -6.177 7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.638 -5.867 8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.617 -4.192 7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.910 -4.968 5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.211 -2.954 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.240 -4.301 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.956 -3.550 7.485 1.00 0.00 H new ATOM 816 N VAL A 50 -9.546 -8.673 4.284 1.00 0.00 N ATOM 817 CA VAL A 50 -9.691 -8.350 2.870 1.00 0.00 C ATOM 818 C VAL A 50 -9.397 -9.562 1.995 1.00 0.00 C ATOM 819 O VAL A 50 -10.155 -9.867 1.075 1.00 0.00 O ATOM 820 CB VAL A 50 -8.761 -7.193 2.456 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.053 -6.756 1.029 1.00 0.00 C ATOM 822 CG2 VAL A 50 -8.900 -6.021 3.420 1.00 0.00 C ATOM 0 H VAL A 50 -8.694 -8.313 4.715 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.726 -8.042 2.723 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.731 -7.548 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.386 -5.938 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.895 -7.595 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.088 -6.421 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.235 -5.214 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.930 -5.665 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.634 -6.344 4.426 1.00 0.00 H new ATOM 832 N GLU A 51 -8.301 -10.257 2.286 1.00 0.00 N ATOM 833 CA GLU A 51 -7.927 -11.441 1.516 1.00 0.00 C ATOM 834 C GLU A 51 -9.117 -12.382 1.383 1.00 0.00 C ATOM 835 O GLU A 51 -9.424 -12.862 0.291 1.00 0.00 O ATOM 836 CB GLU A 51 -6.750 -12.165 2.177 1.00 0.00 C ATOM 837 CG GLU A 51 -7.086 -12.772 3.529 1.00 0.00 C ATOM 838 CD GLU A 51 -5.884 -13.417 4.192 1.00 0.00 C ATOM 839 OE1 GLU A 51 -4.908 -12.694 4.482 1.00 0.00 O ATOM 840 OE2 GLU A 51 -5.919 -14.644 4.421 1.00 0.00 O ATOM 0 H GLU A 51 -7.660 -10.024 3.044 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.620 -11.121 0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.401 -12.954 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.925 -11.463 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.484 -11.996 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.871 -13.518 3.404 1.00 0.00 H new ATOM 847 N GLY A 52 -9.803 -12.619 2.497 1.00 0.00 N ATOM 848 CA GLY A 52 -10.971 -13.476 2.471 1.00 0.00 C ATOM 849 C GLY A 52 -12.056 -12.887 1.596 1.00 0.00 C ATOM 850 O GLY A 52 -12.828 -13.612 0.969 1.00 0.00 O ATOM 0 H GLY A 52 -9.571 -12.234 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.694 -14.463 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.350 -13.612 3.484 1.00 0.00 H new ATOM 854 N ASP A 53 -12.097 -11.557 1.548 1.00 0.00 N ATOM 855 CA ASP A 53 -13.073 -10.847 0.735 1.00 0.00 C ATOM 856 C ASP A 53 -12.646 -10.851 -0.729 1.00 0.00 C ATOM 857 O ASP A 53 -13.481 -10.805 -1.632 1.00 0.00 O ATOM 858 CB ASP A 53 -13.230 -9.407 1.229 1.00 0.00 C ATOM 859 CG ASP A 53 -14.293 -8.645 0.464 1.00 0.00 C ATOM 860 OD1 ASP A 53 -14.015 -8.222 -0.678 1.00 0.00 O ATOM 861 OD2 ASP A 53 -15.405 -8.471 1.006 1.00 0.00 O ATOM 0 H ASP A 53 -11.461 -10.950 2.066 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.032 -11.357 0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.485 -9.415 2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.276 -8.888 1.135 1.00 0.00 H new ATOM 866 N MET A 54 -11.335 -10.907 -0.952 1.00 0.00 N ATOM 867 CA MET A 54 -10.784 -10.919 -2.300 1.00 0.00 C ATOM 868 C MET A 54 -11.114 -12.227 -3.012 1.00 0.00 C ATOM 869 O MET A 54 -11.449 -12.235 -4.197 1.00 0.00 O ATOM 870 CB MET A 54 -9.268 -10.720 -2.255 1.00 0.00 C ATOM 871 CG MET A 54 -8.850 -9.278 -2.015 1.00 0.00 C ATOM 872 SD MET A 54 -9.227 -8.205 -3.414 1.00 0.00 S ATOM 873 CE MET A 54 -10.818 -7.548 -2.918 1.00 0.00 C ATOM 0 H MET A 54 -10.634 -10.945 -0.212 1.00 0.00 H new ATOM 0 HA MET A 54 -11.236 -10.098 -2.857 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.851 -11.346 -1.466 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.837 -11.063 -3.196 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.355 -8.900 -1.126 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.779 -9.243 -1.813 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.566 -7.801 -3.669 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.106 -7.978 -1.959 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.751 -6.464 -2.824 1.00 0.00 H new ATOM 883 N TYR A 55 -11.015 -13.332 -2.279 1.00 0.00 N ATOM 884 CA TYR A 55 -11.301 -14.648 -2.837 1.00 0.00 C ATOM 885 C TYR A 55 -12.770 -14.762 -3.236 1.00 0.00 C ATOM 886 O TYR A 55 -13.085 -15.093 -4.374 1.00 0.00 O ATOM 887 CB TYR A 55 -10.936 -15.738 -1.820 1.00 0.00 C ATOM 888 CG TYR A 55 -11.291 -17.147 -2.253 1.00 0.00 C ATOM 889 CD1 TYR A 55 -12.613 -17.575 -2.274 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.303 -18.054 -2.629 1.00 0.00 C ATOM 891 CE1 TYR A 55 -12.941 -18.862 -2.657 1.00 0.00 C ATOM 892 CE2 TYR A 55 -10.625 -19.342 -3.016 1.00 0.00 C ATOM 893 CZ TYR A 55 -11.945 -19.740 -3.027 1.00 0.00 C ATOM 894 OH TYR A 55 -12.271 -21.022 -3.408 1.00 0.00 O ATOM 0 H TYR A 55 -10.739 -13.341 -1.297 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.697 -14.783 -3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.865 -15.691 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.441 -15.523 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.397 -16.891 -1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.268 -17.746 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.974 -19.178 -2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.847 -20.032 -3.308 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.690 -21.003 -4.294 1.00 0.00 H new ATOM 904 N GLU A 56 -13.664 -14.483 -2.293 1.00 0.00 N ATOM 905 CA GLU A 56 -15.102 -14.561 -2.548 1.00 0.00 C ATOM 906 C GLU A 56 -15.507 -13.761 -3.785 1.00 0.00 C ATOM 907 O GLU A 56 -16.344 -14.204 -4.571 1.00 0.00 O ATOM 908 CB GLU A 56 -15.880 -14.064 -1.328 1.00 0.00 C ATOM 909 CG GLU A 56 -16.300 -15.179 -0.384 1.00 0.00 C ATOM 910 CD GLU A 56 -17.732 -15.034 0.091 1.00 0.00 C ATOM 911 OE1 GLU A 56 -18.654 -15.251 -0.723 1.00 0.00 O ATOM 912 OE2 GLU A 56 -17.932 -14.700 1.279 1.00 0.00 O ATOM 0 H GLU A 56 -13.420 -14.200 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.345 -15.607 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.266 -13.348 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.768 -13.530 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.184 -16.139 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.634 -15.189 0.479 1.00 0.00 H new ATOM 919 N SER A 57 -14.915 -12.581 -3.954 1.00 0.00 N ATOM 920 CA SER A 57 -15.223 -11.724 -5.099 1.00 0.00 C ATOM 921 C SER A 57 -15.209 -12.516 -6.407 1.00 0.00 C ATOM 922 O SER A 57 -15.916 -12.180 -7.358 1.00 0.00 O ATOM 923 CB SER A 57 -14.224 -10.568 -5.179 1.00 0.00 C ATOM 924 OG SER A 57 -14.866 -9.363 -5.559 1.00 0.00 O ATOM 0 H SER A 57 -14.220 -12.196 -3.314 1.00 0.00 H new ATOM 0 HA SER A 57 -16.227 -11.324 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.738 -10.436 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.441 -10.809 -5.898 1.00 0.00 H new ATOM 0 HG SER A 57 -14.206 -8.640 -5.601 1.00 0.00 H new ATOM 930 N ALA A 58 -14.398 -13.566 -6.442 1.00 0.00 N ATOM 931 CA ALA A 58 -14.280 -14.416 -7.621 1.00 0.00 C ATOM 932 C ALA A 58 -15.220 -15.596 -7.553 1.00 0.00 C ATOM 933 O ALA A 58 -15.281 -16.298 -6.551 1.00 0.00 O ATOM 934 CB ALA A 58 -12.848 -14.914 -7.767 1.00 0.00 C ATOM 0 H ALA A 58 -13.808 -13.851 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.551 -13.814 -8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.771 -15.548 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.176 -14.063 -7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.571 -15.489 -6.883 1.00 0.00 H new ATOM 940 N ASN A 59 -15.909 -15.845 -8.649 1.00 0.00 N ATOM 941 CA ASN A 59 -16.783 -16.995 -8.731 1.00 0.00 C ATOM 942 C ASN A 59 -16.001 -18.114 -9.395 1.00 0.00 C ATOM 943 O ASN A 59 -16.505 -19.214 -9.602 1.00 0.00 O ATOM 944 CB ASN A 59 -18.056 -16.696 -9.525 1.00 0.00 C ATOM 945 CG ASN A 59 -18.833 -15.525 -8.958 1.00 0.00 C ATOM 946 OD1 ASN A 59 -18.311 -14.749 -8.157 1.00 0.00 O ATOM 947 ND2 ASN A 59 -20.088 -15.393 -9.369 1.00 0.00 N ATOM 0 H ASN A 59 -15.880 -15.269 -9.490 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.103 -17.277 -7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.793 -16.485 -10.561 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.692 -17.581 -9.532 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -20.661 -14.625 -9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.480 -16.060 -10.034 1.00 0.00 H new ATOM 954 N SER A 60 -14.745 -17.806 -9.731 1.00 0.00 N ATOM 955 CA SER A 60 -13.867 -18.773 -10.377 1.00 0.00 C ATOM 956 C SER A 60 -12.408 -18.501 -10.031 1.00 0.00 C ATOM 957 O SER A 60 -12.089 -17.501 -9.386 1.00 0.00 O ATOM 958 CB SER A 60 -14.059 -18.733 -11.894 1.00 0.00 C ATOM 959 OG SER A 60 -13.493 -17.558 -12.449 1.00 0.00 O ATOM 0 H SER A 60 -14.318 -16.895 -9.565 1.00 0.00 H new ATOM 0 HA SER A 60 -14.129 -19.765 -10.010 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.597 -19.611 -12.345 1.00 0.00 H new ATOM 0 HB3 SER A 60 -15.122 -18.775 -12.130 1.00 0.00 H new ATOM 0 HG SER A 60 -13.627 -17.557 -13.420 1.00 0.00 H new ATOM 965 N ARG A 61 -11.526 -19.395 -10.462 1.00 0.00 N ATOM 966 CA ARG A 61 -10.100 -19.251 -10.198 1.00 0.00 C ATOM 967 C ARG A 61 -9.513 -18.097 -11.007 1.00 0.00 C ATOM 968 O ARG A 61 -8.910 -17.178 -10.451 1.00 0.00 O ATOM 969 CB ARG A 61 -9.369 -20.559 -10.526 1.00 0.00 C ATOM 970 CG ARG A 61 -7.871 -20.397 -10.742 1.00 0.00 C ATOM 971 CD ARG A 61 -7.193 -19.771 -9.535 1.00 0.00 C ATOM 972 NE ARG A 61 -5.973 -19.057 -9.904 1.00 0.00 N ATOM 973 CZ ARG A 61 -4.857 -19.659 -10.311 1.00 0.00 C ATOM 974 NH1 ARG A 61 -4.801 -20.981 -10.396 1.00 0.00 N ATOM 975 NH2 ARG A 61 -3.795 -18.935 -10.637 1.00 0.00 N ATOM 0 H ARG A 61 -11.774 -20.228 -10.996 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.966 -19.027 -9.140 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.534 -21.268 -9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.810 -20.994 -11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.425 -21.371 -10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.695 -19.776 -11.621 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.883 -19.082 -9.048 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.953 -20.548 -8.810 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.976 -18.039 -9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.616 -21.543 -10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.943 -21.436 -10.708 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.833 -17.918 -10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.940 -19.396 -10.949 1.00 0.00 H new ATOM 989 N ASP A 62 -9.689 -18.154 -12.324 1.00 0.00 N ATOM 990 CA ASP A 62 -9.175 -17.119 -13.216 1.00 0.00 C ATOM 991 C ASP A 62 -9.573 -15.727 -12.735 1.00 0.00 C ATOM 992 O ASP A 62 -8.734 -14.832 -12.629 1.00 0.00 O ATOM 993 CB ASP A 62 -9.688 -17.343 -14.640 1.00 0.00 C ATOM 994 CG ASP A 62 -9.037 -18.538 -15.307 1.00 0.00 C ATOM 995 OD1 ASP A 62 -7.801 -18.677 -15.203 1.00 0.00 O ATOM 996 OD2 ASP A 62 -9.765 -19.337 -15.934 1.00 0.00 O ATOM 0 H ASP A 62 -10.185 -18.908 -12.798 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.087 -17.184 -13.211 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.768 -17.488 -14.616 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.499 -16.450 -15.236 1.00 0.00 H new ATOM 1001 N GLU A 63 -10.858 -15.551 -12.445 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.365 -14.267 -11.973 1.00 0.00 C ATOM 1003 C GLU A 63 -10.664 -13.845 -10.686 1.00 0.00 C ATOM 1004 O GLU A 63 -10.328 -12.675 -10.505 1.00 0.00 O ATOM 1005 CB GLU A 63 -12.875 -14.344 -11.745 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.509 -13.003 -11.410 1.00 0.00 C ATOM 1007 CD GLU A 63 -13.386 -12.002 -12.541 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -13.297 -12.435 -13.710 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -13.379 -10.785 -12.260 1.00 0.00 O ATOM 0 H GLU A 63 -11.567 -16.280 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.159 -13.519 -12.739 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.349 -14.747 -12.640 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.076 -15.044 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.563 -13.152 -11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.037 -12.595 -10.516 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.445 -14.807 -9.796 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.784 -14.540 -8.524 1.00 0.00 C ATOM 1018 C TYR A 64 -8.393 -13.954 -8.744 1.00 0.00 C ATOM 1019 O TYR A 64 -7.905 -13.166 -7.932 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.688 -15.826 -7.699 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.929 -15.667 -6.399 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.045 -14.511 -5.638 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -8.096 -16.678 -5.934 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.352 -14.364 -4.451 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.401 -16.539 -4.747 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.532 -15.381 -4.010 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.842 -15.240 -2.829 1.00 0.00 O ATOM 0 H TYR A 64 -10.716 -15.781 -9.933 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.380 -13.809 -7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.695 -16.181 -7.479 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.203 -16.596 -8.299 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.688 -13.713 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.990 -17.586 -6.509 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.452 -13.458 -3.872 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.758 -17.334 -4.399 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.311 -16.047 -2.662 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.758 -14.342 -9.845 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.421 -13.856 -10.167 1.00 0.00 C ATOM 1039 C TYR A 65 -6.477 -12.439 -10.733 1.00 0.00 C ATOM 1040 O TYR A 65 -5.828 -11.529 -10.219 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.741 -14.795 -11.166 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.391 -15.294 -10.704 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -4.210 -15.768 -9.410 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -3.297 -15.291 -11.560 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.977 -16.224 -8.984 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -2.062 -15.746 -11.142 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.907 -16.211 -9.853 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.678 -16.665 -9.432 1.00 0.00 O ATOM 0 H TYR A 65 -8.147 -14.991 -10.529 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.837 -13.835 -9.247 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.392 -15.650 -11.350 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.621 -14.276 -12.117 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.046 -15.780 -8.727 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.414 -14.927 -12.570 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.852 -16.589 -7.975 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.222 -15.738 -11.821 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.032 -16.589 -10.165 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.256 -12.261 -11.796 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.394 -10.956 -12.432 1.00 0.00 C ATOM 1060 C HIS A 66 -8.079 -9.962 -11.499 1.00 0.00 C ATOM 1061 O HIS A 66 -7.814 -8.762 -11.553 1.00 0.00 O ATOM 1062 CB HIS A 66 -8.190 -11.084 -13.732 1.00 0.00 C ATOM 1063 CG HIS A 66 -7.339 -11.391 -14.926 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -6.623 -10.430 -15.609 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -7.092 -12.562 -15.560 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -5.973 -10.996 -16.610 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -6.240 -12.288 -16.602 1.00 0.00 N ATOM 0 H HIS A 66 -7.801 -13.004 -12.234 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.395 -10.583 -12.658 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.936 -11.870 -13.616 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.731 -10.155 -13.911 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.490 -13.530 -15.296 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.332 -10.488 -17.315 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.873 -12.973 -17.263 1.00 0.00 H new ATOM 1076 N LEU A 67 -8.960 -10.472 -10.644 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.683 -9.628 -9.699 1.00 0.00 C ATOM 1078 C LEU A 67 -8.776 -9.187 -8.555 1.00 0.00 C ATOM 1079 O LEU A 67 -8.660 -7.997 -8.265 1.00 0.00 O ATOM 1080 CB LEU A 67 -10.898 -10.376 -9.145 1.00 0.00 C ATOM 1081 CG LEU A 67 -11.672 -9.639 -8.049 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -13.167 -9.873 -8.201 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -11.196 -10.084 -6.674 1.00 0.00 C ATOM 0 H LEU A 67 -9.190 -11.464 -10.586 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.022 -8.738 -10.230 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.580 -10.590 -9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.565 -11.336 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.482 -8.570 -8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.700 -9.341 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.496 -9.506 -9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.378 -10.940 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.756 -9.551 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.357 -11.156 -6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.134 -9.864 -6.568 1.00 0.00 H new ATOM 1095 N LEU A 68 -8.139 -10.156 -7.905 1.00 0.00 N ATOM 1096 CA LEU A 68 -7.245 -9.869 -6.790 1.00 0.00 C ATOM 1097 C LEU A 68 -6.125 -8.922 -7.214 1.00 0.00 C ATOM 1098 O LEU A 68 -5.617 -8.145 -6.404 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.652 -11.168 -6.239 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.889 -11.024 -4.920 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -6.122 -12.237 -4.034 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.404 -10.831 -5.183 1.00 0.00 C ATOM 0 H LEU A 68 -8.226 -11.147 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.827 -9.382 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.459 -11.887 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.979 -11.588 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.263 -10.143 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.572 -12.117 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.186 -12.331 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.775 -13.134 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.877 -10.730 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.015 -11.693 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.254 -9.931 -5.779 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.745 -8.991 -8.485 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.687 -8.138 -9.013 1.00 0.00 C ATOM 1116 C ALA A 69 -5.120 -6.676 -9.033 1.00 0.00 C ATOM 1117 O ALA A 69 -4.296 -5.773 -8.893 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.292 -8.592 -10.411 1.00 0.00 C ATOM 0 H ALA A 69 -6.154 -9.628 -9.168 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.822 -8.225 -8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.501 -7.947 -10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.934 -9.621 -10.372 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.158 -8.534 -11.070 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.419 -6.450 -9.205 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.962 -5.096 -9.240 1.00 0.00 C ATOM 1126 C GLU A 70 -6.636 -4.348 -7.952 1.00 0.00 C ATOM 1127 O GLU A 70 -6.299 -3.165 -7.977 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.476 -5.137 -9.451 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.999 -4.005 -10.321 1.00 0.00 C ATOM 1130 CD GLU A 70 -9.171 -4.415 -11.771 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -9.450 -5.607 -12.021 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -9.027 -3.546 -12.654 1.00 0.00 O ATOM 0 H GLU A 70 -7.115 -7.187 -9.322 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.501 -4.566 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.745 -6.089 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.971 -5.097 -8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.956 -3.662 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.311 -3.161 -10.265 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.733 -5.048 -6.826 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.445 -4.451 -5.528 1.00 0.00 C ATOM 1141 C LYS A 71 -4.976 -4.055 -5.431 1.00 0.00 C ATOM 1142 O LYS A 71 -4.649 -2.898 -5.167 1.00 0.00 O ATOM 1143 CB LYS A 71 -6.802 -5.425 -4.403 1.00 0.00 C ATOM 1144 CG LYS A 71 -7.578 -4.782 -3.264 1.00 0.00 C ATOM 1145 CD LYS A 71 -7.158 -5.342 -1.915 1.00 0.00 C ATOM 1146 CE LYS A 71 -7.357 -4.327 -0.803 1.00 0.00 C ATOM 1147 NZ LYS A 71 -8.795 -3.992 -0.607 1.00 0.00 N ATOM 0 H LYS A 71 -7.009 -6.029 -6.787 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.053 -3.553 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.391 -6.244 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.885 -5.861 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.418 -3.704 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.645 -4.948 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.736 -6.240 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.110 -5.639 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.946 -4.722 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.801 -3.419 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.954 -3.711 0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.058 -3.207 -1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.379 -4.824 -0.829 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.093 -5.024 -5.653 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.658 -4.775 -5.599 1.00 0.00 C ATOM 1163 C ILE A 72 -2.247 -3.747 -6.647 1.00 0.00 C ATOM 1164 O ILE A 72 -1.315 -2.969 -6.440 1.00 0.00 O ATOM 1165 CB ILE A 72 -1.853 -6.072 -5.819 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.333 -7.165 -4.862 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.364 -5.815 -5.632 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.366 -8.542 -5.489 1.00 0.00 C ATOM 0 H ILE A 72 -4.346 -5.988 -5.872 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.437 -4.388 -4.604 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.016 -6.411 -6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.679 -7.187 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.332 -6.912 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.188 -6.741 -5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.031 -5.066 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.181 -5.453 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.716 -9.268 -4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.042 -8.536 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.364 -8.815 -5.820 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.952 -3.750 -7.772 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.671 -2.820 -8.858 1.00 0.00 C ATOM 1182 C TYR A 73 -3.174 -1.420 -8.514 1.00 0.00 C ATOM 1183 O TYR A 73 -2.534 -0.421 -8.844 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.319 -3.318 -10.156 1.00 0.00 C ATOM 1185 CG TYR A 73 -3.405 -2.270 -11.245 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -2.257 -1.762 -11.841 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -4.635 -1.791 -11.675 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -2.335 -0.804 -12.834 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -4.721 -0.835 -12.668 1.00 0.00 C ATOM 1190 CZ TYR A 73 -3.569 -0.344 -13.245 1.00 0.00 C ATOM 1191 OH TYR A 73 -3.650 0.608 -14.234 1.00 0.00 O ATOM 0 H TYR A 73 -3.725 -4.389 -7.956 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.592 -2.767 -9.000 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.750 -4.169 -10.530 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.323 -3.678 -9.933 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.289 -2.121 -11.523 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.540 -2.172 -11.225 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.434 -0.417 -13.286 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.686 -0.474 -12.991 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.591 0.822 -14.406 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.324 -1.356 -7.852 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.914 -0.079 -7.466 1.00 0.00 C ATOM 1203 C LYS A 74 -4.201 0.507 -6.251 1.00 0.00 C ATOM 1204 O LYS A 74 -3.865 1.690 -6.228 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.404 -0.253 -7.163 1.00 0.00 C ATOM 1206 CG LYS A 74 -7.196 1.042 -7.249 1.00 0.00 C ATOM 1207 CD LYS A 74 -7.067 1.859 -5.973 1.00 0.00 C ATOM 1208 CE LYS A 74 -7.937 3.105 -6.019 1.00 0.00 C ATOM 1209 NZ LYS A 74 -7.546 4.014 -7.131 1.00 0.00 N ATOM 0 H LYS A 74 -4.866 -2.173 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.798 0.613 -8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.827 -0.975 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.517 -0.673 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.843 1.630 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.246 0.816 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.352 1.247 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.026 2.146 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.981 2.815 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.860 3.637 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.056 4.916 -7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.522 4.190 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.787 3.572 -8.041 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.972 -0.329 -5.243 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.298 0.108 -4.026 1.00 0.00 C ATOM 1225 C ILE A 75 -1.879 0.579 -4.327 1.00 0.00 C ATOM 1226 O ILE A 75 -1.436 1.610 -3.823 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.245 -1.018 -2.974 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.645 -1.583 -2.729 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.641 -0.504 -1.676 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -4.653 -3.067 -2.431 1.00 0.00 C ATOM 0 H ILE A 75 -4.243 -1.312 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.877 0.939 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.611 -1.819 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.102 -1.050 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.264 -1.393 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.611 -1.311 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.629 -0.145 -1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.250 0.313 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.678 -3.400 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.225 -3.610 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.062 -3.262 -1.536 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.169 -0.185 -5.151 1.00 0.00 N ATOM 1243 CA GLN A 76 0.201 0.154 -5.518 1.00 0.00 C ATOM 1244 C GLN A 76 0.257 1.510 -6.214 1.00 0.00 C ATOM 1245 O GLN A 76 1.242 2.238 -6.098 1.00 0.00 O ATOM 1246 CB GLN A 76 0.789 -0.925 -6.429 1.00 0.00 C ATOM 1247 CG GLN A 76 1.358 -2.115 -5.675 1.00 0.00 C ATOM 1248 CD GLN A 76 2.131 -3.060 -6.573 1.00 0.00 C ATOM 1249 OE1 GLN A 76 2.557 -2.688 -7.666 1.00 0.00 O ATOM 1250 NE2 GLN A 76 2.316 -4.293 -6.116 1.00 0.00 N ATOM 0 H GLN A 76 -1.520 -1.043 -5.577 1.00 0.00 H new ATOM 0 HA GLN A 76 0.793 0.210 -4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.014 -1.275 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.576 -0.483 -7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.013 -1.757 -4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.544 -2.659 -5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.946 -4.560 -5.204 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.828 -4.973 -6.677 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.808 1.843 -6.935 1.00 0.00 N ATOM 1260 CA LYS A 77 -0.883 3.112 -7.649 1.00 0.00 C ATOM 1261 C LYS A 77 -1.038 4.276 -6.674 1.00 0.00 C ATOM 1262 O LYS A 77 -0.568 5.383 -6.932 1.00 0.00 O ATOM 1263 CB LYS A 77 -2.051 3.095 -8.639 1.00 0.00 C ATOM 1264 CG LYS A 77 -1.621 3.244 -10.090 1.00 0.00 C ATOM 1265 CD LYS A 77 -0.849 2.026 -10.570 1.00 0.00 C ATOM 1266 CE LYS A 77 -0.217 2.271 -11.932 1.00 0.00 C ATOM 1267 NZ LYS A 77 -1.198 2.823 -12.907 1.00 0.00 N ATOM 0 H LYS A 77 -1.632 1.251 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 77 0.047 3.248 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.599 2.160 -8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.741 3.901 -8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.500 3.390 -10.718 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.001 4.134 -10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.073 1.777 -9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.519 1.168 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.618 2.963 -11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.191 1.336 -12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.815 2.740 -13.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.089 2.291 -12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.376 3.825 -12.691 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.701 4.015 -5.551 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.919 5.039 -4.536 1.00 0.00 C ATOM 1283 C GLU A 78 -0.606 5.433 -3.869 1.00 0.00 C ATOM 1284 O GLU A 78 -0.433 6.575 -3.440 1.00 0.00 O ATOM 1285 CB GLU A 78 -2.910 4.541 -3.483 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.339 4.443 -3.991 1.00 0.00 C ATOM 1287 CD GLU A 78 -5.206 3.553 -3.122 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -4.870 3.375 -1.932 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -6.223 3.034 -3.631 1.00 0.00 O ATOM 0 H GLU A 78 -2.096 3.103 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.334 5.919 -5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.590 3.560 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.884 5.212 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.775 5.441 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.333 4.055 -5.010 1.00 0.00 H new ATOM 1296 N LEU A 79 0.318 4.481 -3.783 1.00 0.00 N ATOM 1297 CA LEU A 79 1.617 4.729 -3.167 1.00 0.00 C ATOM 1298 C LEU A 79 2.351 5.863 -3.878 1.00 0.00 C ATOM 1299 O LEU A 79 3.126 6.595 -3.264 1.00 0.00 O ATOM 1300 CB LEU A 79 2.468 3.458 -3.195 1.00 0.00 C ATOM 1301 CG LEU A 79 2.280 2.526 -1.996 1.00 0.00 C ATOM 1302 CD1 LEU A 79 2.657 1.100 -2.365 1.00 0.00 C ATOM 1303 CD2 LEU A 79 3.105 3.009 -0.813 1.00 0.00 C ATOM 0 H LEU A 79 0.191 3.531 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 79 1.449 5.024 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.238 2.905 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.518 3.743 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 79 1.228 2.539 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.517 0.451 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.024 0.756 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.701 1.069 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.960 2.335 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.160 3.025 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.787 4.014 -0.534 1.00 0.00 H new ATOM 1315 N GLU A 80 2.100 6.001 -5.176 1.00 0.00 N ATOM 1316 CA GLU A 80 2.735 7.046 -5.970 1.00 0.00 C ATOM 1317 C GLU A 80 2.270 8.428 -5.524 1.00 0.00 C ATOM 1318 O GLU A 80 3.018 9.401 -5.603 1.00 0.00 O ATOM 1319 CB GLU A 80 2.428 6.845 -7.455 1.00 0.00 C ATOM 1320 CG GLU A 80 3.457 7.475 -8.379 1.00 0.00 C ATOM 1321 CD GLU A 80 3.789 6.595 -9.569 1.00 0.00 C ATOM 1322 OE1 GLU A 80 2.847 6.127 -10.242 1.00 0.00 O ATOM 1323 OE2 GLU A 80 4.990 6.374 -9.826 1.00 0.00 O ATOM 0 H GLU A 80 1.462 5.402 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 80 3.812 6.979 -5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.370 5.777 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.447 7.267 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.081 8.434 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.368 7.678 -7.817 1.00 0.00 H new ATOM 1330 N GLU A 81 1.028 8.505 -5.055 1.00 0.00 N ATOM 1331 CA GLU A 81 0.462 9.768 -4.596 1.00 0.00 C ATOM 1332 C GLU A 81 1.065 10.180 -3.257 1.00 0.00 C ATOM 1333 O GLU A 81 1.387 11.349 -3.044 1.00 0.00 O ATOM 1334 CB GLU A 81 -1.059 9.654 -4.470 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.797 10.931 -4.836 1.00 0.00 C ATOM 1336 CD GLU A 81 -3.174 10.664 -5.410 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -3.352 9.615 -6.063 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -4.076 11.504 -5.206 1.00 0.00 O ATOM 0 H GLU A 81 0.395 7.708 -4.983 1.00 0.00 H new ATOM 0 HA GLU A 81 0.702 10.534 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.409 8.845 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.311 9.380 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.892 11.558 -3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.208 11.492 -5.561 1.00 0.00 H new ATOM 1345 N LYS A 82 1.215 9.212 -2.359 1.00 0.00 N ATOM 1346 CA LYS A 82 1.780 9.475 -1.040 1.00 0.00 C ATOM 1347 C LYS A 82 3.264 9.808 -1.141 1.00 0.00 C ATOM 1348 O LYS A 82 3.781 10.627 -0.381 1.00 0.00 O ATOM 1349 CB LYS A 82 1.577 8.265 -0.126 1.00 0.00 C ATOM 1350 CG LYS A 82 0.179 8.176 0.465 1.00 0.00 C ATOM 1351 CD LYS A 82 0.209 7.647 1.890 1.00 0.00 C ATOM 1352 CE LYS A 82 -1.170 7.687 2.528 1.00 0.00 C ATOM 1353 NZ LYS A 82 -1.858 8.984 2.282 1.00 0.00 N ATOM 0 H LYS A 82 0.954 8.239 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 82 1.262 10.334 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.782 7.355 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.303 8.307 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.286 9.162 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.438 7.524 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.582 6.623 1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.904 8.240 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.777 6.873 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.078 7.523 3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.569 9.146 3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.160 9.755 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.326 8.958 1.354 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.897 3.644 7.953 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.589 3.111 8.322 1.00 0.00 C ATOM 1548 C GLU B 94 -5.811 2.664 7.088 1.00 0.00 C ATOM 1549 O GLU B 94 -4.580 2.662 7.087 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.748 1.939 9.291 1.00 0.00 C ATOM 1551 CG GLU B 94 -6.811 2.361 10.750 1.00 0.00 C ATOM 1552 CD GLU B 94 -5.490 2.169 11.469 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -5.056 1.008 11.615 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -4.890 3.182 11.887 1.00 0.00 O ATOM 0 HA GLU B 94 -6.028 3.906 8.812 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.657 1.391 9.040 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -5.914 1.251 9.156 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -7.104 3.409 10.809 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -7.584 1.785 11.258 1.00 0.00 H new ATOM 1561 N LEU B 95 -6.536 2.287 6.038 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.909 1.838 4.798 1.00 0.00 C ATOM 1563 C LEU B 95 -4.939 2.890 4.269 1.00 0.00 C ATOM 1564 O LEU B 95 -3.928 2.561 3.648 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.974 1.534 3.744 1.00 0.00 C ATOM 1566 CG LEU B 95 -7.975 2.662 3.490 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -7.445 3.618 2.433 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -9.322 2.093 3.068 1.00 0.00 C ATOM 0 H LEU B 95 -7.556 2.283 6.021 1.00 0.00 H new ATOM 0 HA LEU B 95 -5.350 0.927 5.011 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.476 1.293 2.805 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.523 0.644 4.051 1.00 0.00 H new ATOM 0 HG LEU B 95 -8.111 3.218 4.418 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.171 4.414 2.266 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -6.504 4.051 2.773 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.280 3.076 1.502 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -10.023 2.909 2.891 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -9.202 1.514 2.153 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -9.708 1.448 3.857 1.00 0.00 H new ATOM 1580 N SER B 96 -5.252 4.156 4.522 1.00 0.00 N ATOM 1581 CA SER B 96 -4.408 5.257 4.076 1.00 0.00 C ATOM 1582 C SER B 96 -3.192 5.410 4.984 1.00 0.00 C ATOM 1583 O SER B 96 -2.112 5.792 4.534 1.00 0.00 O ATOM 1584 CB SER B 96 -5.206 6.561 4.047 1.00 0.00 C ATOM 1585 OG SER B 96 -4.743 7.421 3.020 1.00 0.00 O ATOM 0 H SER B 96 -6.085 4.445 5.034 1.00 0.00 H new ATOM 0 HA SER B 96 -4.061 5.031 3.068 1.00 0.00 H new ATOM 0 HB2 SER B 96 -6.262 6.341 3.892 1.00 0.00 H new ATOM 0 HB3 SER B 96 -5.123 7.063 5.011 1.00 0.00 H new ATOM 0 HG SER B 96 -5.271 8.247 3.022 1.00 0.00 H new ATOM 1591 N ASP B 97 -3.376 5.109 6.266 1.00 0.00 N ATOM 1592 CA ASP B 97 -2.294 5.212 7.238 1.00 0.00 C ATOM 1593 C ASP B 97 -1.274 4.097 7.035 1.00 0.00 C ATOM 1594 O ASP B 97 -0.082 4.280 7.281 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.852 5.155 8.662 1.00 0.00 C ATOM 1596 CG ASP B 97 -3.393 6.494 9.124 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -3.745 7.324 8.258 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -3.466 6.712 10.352 1.00 0.00 O ATOM 0 H ASP B 97 -4.264 4.792 6.655 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.795 6.169 7.089 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.646 4.410 8.709 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -2.067 4.828 9.344 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.751 2.941 6.585 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.881 1.795 6.348 1.00 0.00 C ATOM 1605 C LEU B 98 0.066 2.062 5.182 1.00 0.00 C ATOM 1606 O LEU B 98 1.178 1.536 5.140 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.717 0.544 6.065 1.00 0.00 C ATOM 1608 CG LEU B 98 -2.167 -0.229 7.307 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.589 -0.741 7.134 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.215 -1.381 7.590 1.00 0.00 C ATOM 0 H LEU B 98 -2.735 2.773 6.377 1.00 0.00 H new ATOM 0 HA LEU B 98 -0.285 1.631 7.246 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -2.601 0.837 5.498 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -1.138 -0.125 5.429 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.150 0.450 8.159 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -3.890 -1.288 8.028 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -4.263 0.102 6.980 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.634 -1.404 6.270 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -1.550 -1.920 8.476 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -1.201 -2.059 6.737 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.212 -0.990 7.760 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.382 2.882 4.237 1.00 0.00 N ATOM 1623 CA LEU B 99 0.427 3.218 3.070 1.00 0.00 C ATOM 1624 C LEU B 99 1.479 4.266 3.421 1.00 0.00 C ATOM 1625 O LEU B 99 2.567 4.282 2.846 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.465 3.729 1.936 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.126 3.183 0.549 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -0.696 1.784 0.371 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -0.649 4.115 -0.533 1.00 0.00 C ATOM 0 H LEU B 99 -1.300 3.326 4.256 1.00 0.00 H new ATOM 0 HA LEU B 99 0.939 2.314 2.740 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.500 3.476 2.166 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.402 4.817 1.907 1.00 0.00 H new ATOM 0 HG LEU B 99 0.959 3.125 0.458 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -0.444 1.412 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -0.273 1.120 1.125 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -1.780 1.816 0.483 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.399 3.711 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -1.732 4.205 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.192 5.098 -0.418 1.00 0.00 H new ATOM 1641 N ASP B 100 1.147 5.136 4.369 1.00 0.00 N ATOM 1642 CA ASP B 100 2.065 6.187 4.796 1.00 0.00 C ATOM 1643 C ASP B 100 3.343 5.590 5.375 1.00 0.00 C ATOM 1644 O ASP B 100 4.447 5.926 4.945 1.00 0.00 O ATOM 1645 CB ASP B 100 1.393 7.089 5.833 1.00 0.00 C ATOM 1646 CG ASP B 100 2.123 8.405 6.014 1.00 0.00 C ATOM 1647 OD1 ASP B 100 2.845 8.817 5.081 1.00 0.00 O ATOM 1648 OD2 ASP B 100 1.975 9.024 7.089 1.00 0.00 O ATOM 0 H ASP B 100 0.251 5.135 4.856 1.00 0.00 H new ATOM 0 HA ASP B 100 2.328 6.783 3.922 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.365 7.286 5.528 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.347 6.567 6.789 1.00 0.00 H new ATOM 1653 N PHE B 101 3.186 4.704 6.353 1.00 0.00 N ATOM 1654 CA PHE B 101 4.327 4.058 6.991 1.00 0.00 C ATOM 1655 C PHE B 101 5.167 3.298 5.968 1.00 0.00 C ATOM 1656 O PHE B 101 6.380 3.162 6.124 1.00 0.00 O ATOM 1657 CB PHE B 101 3.850 3.105 8.088 1.00 0.00 C ATOM 1658 CG PHE B 101 4.965 2.377 8.785 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.789 3.040 9.681 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.188 1.031 8.544 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.815 2.373 10.325 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.212 0.359 9.183 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.027 1.031 10.075 1.00 0.00 C ATOM 0 H PHE B 101 2.279 4.417 6.721 1.00 0.00 H new ATOM 0 HA PHE B 101 4.949 4.833 7.438 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.281 3.671 8.826 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.169 2.375 7.651 1.00 0.00 H new ATOM 0 HD1 PHE B 101 5.628 4.090 9.878 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.554 0.501 7.849 1.00 0.00 H new ATOM 0 HE1 PHE B 101 7.449 2.900 11.022 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.376 -0.690 8.986 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.828 0.508 10.576 1.00 0.00 H new ATOM 1673 N SER B 102 4.513 2.807 4.920 1.00 0.00 N ATOM 1674 CA SER B 102 5.200 2.061 3.872 1.00 0.00 C ATOM 1675 C SER B 102 5.958 3.003 2.941 1.00 0.00 C ATOM 1676 O SER B 102 7.051 2.684 2.476 1.00 0.00 O ATOM 1677 CB SER B 102 4.198 1.230 3.068 1.00 0.00 C ATOM 1678 OG SER B 102 4.824 0.100 2.485 1.00 0.00 O ATOM 0 H SER B 102 3.509 2.912 4.774 1.00 0.00 H new ATOM 0 HA SER B 102 5.918 1.393 4.348 1.00 0.00 H new ATOM 0 HB2 SER B 102 3.386 0.905 3.718 1.00 0.00 H new ATOM 0 HB3 SER B 102 3.753 1.847 2.287 1.00 0.00 H new ATOM 0 HG SER B 102 4.297 -0.206 1.717 1.00 0.00 H new ATOM 1684 N ALA B 103 5.367 4.163 2.672 1.00 0.00 N ATOM 1685 CA ALA B 103 5.986 5.150 1.797 1.00 0.00 C ATOM 1686 C ALA B 103 7.032 5.969 2.545 1.00 0.00 C ATOM 1687 O ALA B 103 8.032 6.395 1.967 1.00 0.00 O ATOM 1688 CB ALA B 103 4.927 6.064 1.200 1.00 0.00 C ATOM 0 H ALA B 103 4.461 4.442 3.048 1.00 0.00 H new ATOM 0 HA ALA B 103 6.489 4.618 0.990 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.404 6.796 0.549 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.218 5.471 0.622 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.399 6.581 2.001 1.00 0.00 H new ATOM 1694 N MET B 104 6.795 6.187 3.835 1.00 0.00 N ATOM 1695 CA MET B 104 7.718 6.956 4.663 1.00 0.00 C ATOM 1696 C MET B 104 9.085 6.284 4.720 1.00 0.00 C ATOM 1697 O MET B 104 10.094 6.873 4.331 1.00 0.00 O ATOM 1698 CB MET B 104 7.154 7.116 6.075 1.00 0.00 C ATOM 1699 CG MET B 104 7.484 8.455 6.713 1.00 0.00 C ATOM 1700 SD MET B 104 6.170 9.671 6.491 1.00 0.00 S ATOM 1701 CE MET B 104 7.122 11.184 6.386 1.00 0.00 C ATOM 0 H MET B 104 5.972 5.842 4.329 1.00 0.00 H new ATOM 0 HA MET B 104 7.838 7.942 4.214 1.00 0.00 H new ATOM 0 HB2 MET B 104 6.071 6.996 6.041 1.00 0.00 H new ATOM 0 HB3 MET B 104 7.543 6.317 6.706 1.00 0.00 H new ATOM 0 HG2 MET B 104 7.665 8.311 7.778 1.00 0.00 H new ATOM 0 HG3 MET B 104 8.408 8.841 6.282 1.00 0.00 H new ATOM 0 HE1 MET B 104 6.448 12.029 6.248 1.00 0.00 H new ATOM 0 HE2 MET B 104 7.691 11.320 7.306 1.00 0.00 H new ATOM 0 HE3 MET B 104 7.808 11.125 5.541 1.00 0.00 H new