USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=18 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 Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.117 F(o=-0.65,f=-0.12) USER MOD Single : A 9 HIS : no HD1:sc= -0.0296 K(o=-0.03,f=-1.1) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc=-0.00911 X(o=-0.0091,f=-0.35) USER MOD Single : A 29 THR OG1 : rot 180:sc= -2.21 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -102:sc= -1.35 (180deg=-4.28!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 46 TYR OH : rot 165:sc= -1.65! USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0696) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -151:sc= -0.048 (180deg=-1.61) USER MOD Single : A 55 TYR OH : rot 85:sc= 1.59 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.847 K(o=0.85,f=-4.2!) USER MOD Single : A 60 SER OG : rot 34:sc= 1.14 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0574 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0597) USER MOD Single : A 82 LYS NZ :NH3+ -133:sc= -0.293 (180deg=-1.43!) USER MOD Single : B 96 SER OG : rot 180:sc= 0 USER MOD Single : B 102 SER OG : rot 22:sc= 0.378 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -18.725 -23.428 -10.157 1.00 0.00 N ATOM 51 CA LYS A 4 -17.938 -22.225 -9.993 1.00 0.00 C ATOM 52 C LYS A 4 -16.443 -22.501 -10.174 1.00 0.00 C ATOM 53 O LYS A 4 -15.630 -21.602 -9.975 1.00 0.00 O ATOM 54 CB LYS A 4 -18.185 -21.637 -8.598 1.00 0.00 C ATOM 55 CG LYS A 4 -19.296 -20.600 -8.552 1.00 0.00 C ATOM 56 CD LYS A 4 -18.910 -19.410 -7.688 1.00 0.00 C ATOM 57 CE LYS A 4 -19.438 -19.545 -6.269 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.876 -19.173 -6.172 1.00 0.00 N ATOM 0 HA LYS A 4 -18.245 -21.514 -10.760 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.430 -22.447 -7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.262 -21.182 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.520 -20.260 -9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.205 -21.056 -8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.824 -19.316 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.300 -18.495 -8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.305 -20.572 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.854 -18.911 -5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.196 -19.279 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.000 -18.185 -6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.438 -19.795 -6.788 1.00 0.00 H new ATOM 72 N GLY A 5 -16.067 -23.745 -10.532 1.00 0.00 N ATOM 73 CA GLY A 5 -14.648 -24.065 -10.688 1.00 0.00 C ATOM 74 C GLY A 5 -13.832 -23.272 -9.693 1.00 0.00 C ATOM 75 O GLY A 5 -12.823 -22.654 -10.033 1.00 0.00 O ATOM 0 H GLY A 5 -16.708 -24.517 -10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.488 -25.132 -10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.324 -23.836 -11.703 1.00 0.00 H new ATOM 79 N TRP A 6 -14.350 -23.232 -8.473 1.00 0.00 N ATOM 80 CA TRP A 6 -13.769 -22.447 -7.402 1.00 0.00 C ATOM 81 C TRP A 6 -12.576 -23.094 -6.708 1.00 0.00 C ATOM 82 O TRP A 6 -11.469 -22.558 -6.731 1.00 0.00 O ATOM 83 CB TRP A 6 -14.865 -22.185 -6.368 1.00 0.00 C ATOM 84 CG TRP A 6 -15.025 -20.746 -6.041 1.00 0.00 C ATOM 85 CD1 TRP A 6 -16.185 -20.038 -5.946 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.972 -19.838 -5.771 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.906 -18.731 -5.633 1.00 0.00 N ATOM 88 CE2 TRP A 6 -14.547 -18.589 -5.520 1.00 0.00 C ATOM 89 CE3 TRP A 6 -12.593 -19.971 -5.719 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.781 -17.475 -5.222 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.825 -18.877 -5.424 1.00 0.00 C ATOM 92 CH2 TRP A 6 -12.418 -17.631 -5.175 1.00 0.00 C ATOM 0 H TRP A 6 -15.188 -23.746 -8.201 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.384 -21.533 -7.853 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.811 -22.573 -6.744 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -14.635 -22.735 -5.456 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -17.175 -20.444 -6.095 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.595 -17.989 -5.506 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -12.130 -20.928 -5.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -14.240 -16.516 -5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.750 -18.975 -5.383 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.793 -16.781 -4.943 1.00 0.00 H new ATOM 103 N HIS A 7 -12.807 -24.213 -6.051 1.00 0.00 N ATOM 104 CA HIS A 7 -11.747 -24.873 -5.298 1.00 0.00 C ATOM 105 C HIS A 7 -10.817 -25.699 -6.175 1.00 0.00 C ATOM 106 O HIS A 7 -9.762 -26.144 -5.722 1.00 0.00 O ATOM 107 CB HIS A 7 -12.358 -25.771 -4.234 1.00 0.00 C ATOM 108 CG HIS A 7 -11.400 -26.167 -3.154 1.00 0.00 C ATOM 109 ND1 HIS A 7 -10.440 -27.121 -3.126 1.00 0.00 N flip ATOM 110 CD2 HIS A 7 -11.363 -25.552 -1.920 1.00 0.00 C flip ATOM 111 CE1 HIS A 7 -9.847 -27.065 -1.889 1.00 0.00 C flip ATOM 112 NE2 HIS A 7 -10.420 -26.111 -1.180 1.00 0.00 N flip ATOM 0 H HIS A 7 -13.710 -24.685 -6.020 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.147 -24.085 -4.843 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.207 -25.258 -3.783 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.746 -26.671 -4.711 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -12.004 -24.741 -1.607 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.041 -27.700 -1.551 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.177 -25.849 -0.225 1.00 0.00 H new ATOM 121 N GLU A 8 -11.221 -25.933 -7.411 1.00 0.00 N ATOM 122 CA GLU A 8 -10.425 -26.747 -8.333 1.00 0.00 C ATOM 123 C GLU A 8 -8.942 -26.388 -8.265 1.00 0.00 C ATOM 124 O GLU A 8 -8.085 -27.270 -8.304 1.00 0.00 O ATOM 125 CB GLU A 8 -10.914 -26.579 -9.779 1.00 0.00 C ATOM 126 CG GLU A 8 -11.763 -25.341 -10.017 1.00 0.00 C ATOM 127 CD GLU A 8 -11.883 -24.992 -11.488 1.00 0.00 C ATOM 128 OE1 GLU A 8 -12.532 -25.760 -12.229 1.00 0.00 O ATOM 129 OE2 GLU A 8 -11.329 -23.950 -11.897 1.00 0.00 O ATOM 0 H GLU A 8 -12.091 -25.576 -7.805 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.551 -27.785 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.048 -26.543 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.492 -27.460 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.758 -25.502 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.328 -24.497 -9.481 1.00 0.00 H new ATOM 136 N HIS A 9 -8.636 -25.099 -8.165 1.00 0.00 N ATOM 137 CA HIS A 9 -7.243 -24.667 -8.094 1.00 0.00 C ATOM 138 C HIS A 9 -7.004 -23.641 -6.991 1.00 0.00 C ATOM 139 O HIS A 9 -5.992 -22.940 -6.999 1.00 0.00 O ATOM 140 CB HIS A 9 -6.789 -24.107 -9.443 1.00 0.00 C ATOM 141 CG HIS A 9 -6.106 -25.119 -10.310 1.00 0.00 C ATOM 142 ND1 HIS A 9 -6.682 -26.322 -10.661 1.00 0.00 N ATOM 143 CD2 HIS A 9 -4.888 -25.101 -10.901 1.00 0.00 C ATOM 144 CE1 HIS A 9 -5.847 -27.001 -11.427 1.00 0.00 C ATOM 145 NE2 HIS A 9 -4.753 -26.282 -11.589 1.00 0.00 N ATOM 0 H HIS A 9 -9.321 -24.344 -8.132 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.650 -25.548 -7.848 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.655 -23.711 -9.973 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.111 -23.271 -9.271 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.159 -24.306 -10.842 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.029 -27.978 -11.849 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.938 -26.559 -12.137 1.00 0.00 H new ATOM 154 N VAL A 10 -7.903 -23.584 -6.019 1.00 0.00 N ATOM 155 CA VAL A 10 -7.735 -22.671 -4.894 1.00 0.00 C ATOM 156 C VAL A 10 -7.538 -23.472 -3.624 1.00 0.00 C ATOM 157 O VAL A 10 -8.497 -23.901 -2.981 1.00 0.00 O ATOM 158 CB VAL A 10 -8.912 -21.695 -4.717 1.00 0.00 C ATOM 159 CG1 VAL A 10 -8.546 -20.628 -3.699 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.278 -21.070 -6.051 1.00 0.00 C ATOM 0 H VAL A 10 -8.749 -24.153 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.857 -22.061 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.781 -22.240 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.382 -19.939 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.322 -21.100 -2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.671 -20.078 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.112 -20.381 -5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.420 -20.526 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.566 -21.853 -6.753 1.00 0.00 H new ATOM 170 N THR A 11 -6.278 -23.698 -3.292 1.00 0.00 N ATOM 171 CA THR A 11 -5.921 -24.481 -2.121 1.00 0.00 C ATOM 172 C THR A 11 -4.956 -23.715 -1.221 1.00 0.00 C ATOM 173 O THR A 11 -4.673 -22.540 -1.457 1.00 0.00 O ATOM 174 CB THR A 11 -5.297 -25.810 -2.567 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.900 -25.672 -2.758 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.885 -26.354 -3.860 1.00 0.00 C ATOM 0 H THR A 11 -5.480 -23.347 -3.821 1.00 0.00 H new ATOM 0 HA THR A 11 -6.824 -24.680 -1.544 1.00 0.00 H new ATOM 0 HB THR A 11 -5.520 -26.512 -1.763 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.522 -26.531 -3.040 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.397 -27.295 -4.114 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.954 -26.523 -3.731 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.726 -25.634 -4.663 1.00 0.00 H new ATOM 184 N GLN A 12 -4.458 -24.385 -0.188 1.00 0.00 N ATOM 185 CA GLN A 12 -3.527 -23.767 0.749 1.00 0.00 C ATOM 186 C GLN A 12 -2.223 -23.386 0.056 1.00 0.00 C ATOM 187 O GLN A 12 -1.676 -22.308 0.289 1.00 0.00 O ATOM 188 CB GLN A 12 -3.242 -24.714 1.915 1.00 0.00 C ATOM 189 CG GLN A 12 -2.624 -26.035 1.488 1.00 0.00 C ATOM 190 CD GLN A 12 -2.547 -27.037 2.624 1.00 0.00 C ATOM 191 OE1 GLN A 12 -3.565 -27.559 3.076 1.00 0.00 O ATOM 192 NE2 GLN A 12 -1.334 -27.310 3.091 1.00 0.00 N ATOM 0 H GLN A 12 -4.684 -25.357 0.022 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.989 -22.857 1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.572 -24.220 2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.173 -24.913 2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.210 -26.460 0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.622 -25.854 1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.517 -26.853 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.220 -27.976 3.855 1.00 0.00 H new ATOM 201 N ASP A 13 -1.726 -24.279 -0.793 1.00 0.00 N ATOM 202 CA ASP A 13 -0.483 -24.038 -1.517 1.00 0.00 C ATOM 203 C ASP A 13 -0.649 -22.908 -2.529 1.00 0.00 C ATOM 204 O ASP A 13 0.227 -22.054 -2.669 1.00 0.00 O ATOM 205 CB ASP A 13 -0.029 -25.313 -2.230 1.00 0.00 C ATOM 206 CG ASP A 13 1.461 -25.320 -2.508 1.00 0.00 C ATOM 207 OD1 ASP A 13 2.239 -25.597 -1.571 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.851 -25.049 -3.663 1.00 0.00 O ATOM 0 H ASP A 13 -2.165 -25.177 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 13 0.277 -23.743 -0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.286 -26.179 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.572 -25.413 -3.170 1.00 0.00 H new ATOM 213 N LEU A 14 -1.775 -22.911 -3.234 1.00 0.00 N ATOM 214 CA LEU A 14 -2.052 -21.887 -4.235 1.00 0.00 C ATOM 215 C LEU A 14 -2.487 -20.581 -3.578 1.00 0.00 C ATOM 216 O LEU A 14 -2.227 -19.497 -4.100 1.00 0.00 O ATOM 217 CB LEU A 14 -3.135 -22.369 -5.202 1.00 0.00 C ATOM 218 CG LEU A 14 -2.973 -21.892 -6.647 1.00 0.00 C ATOM 219 CD1 LEU A 14 -3.307 -23.010 -7.622 1.00 0.00 C ATOM 220 CD2 LEU A 14 -3.848 -20.674 -6.906 1.00 0.00 C ATOM 0 H LEU A 14 -2.510 -23.610 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.132 -21.703 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.148 -23.459 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.105 -22.036 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.932 -21.607 -6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.186 -22.650 -8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.637 -23.853 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.338 -23.329 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.721 -20.348 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.893 -20.933 -6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.558 -19.868 -6.232 1.00 0.00 H new ATOM 232 N ARG A 15 -3.149 -20.692 -2.430 1.00 0.00 N ATOM 233 CA ARG A 15 -3.618 -19.516 -1.704 1.00 0.00 C ATOM 234 C ARG A 15 -2.454 -18.768 -1.065 1.00 0.00 C ATOM 235 O ARG A 15 -2.498 -17.548 -0.911 1.00 0.00 O ATOM 236 CB ARG A 15 -4.628 -19.926 -0.630 1.00 0.00 C ATOM 237 CG ARG A 15 -5.217 -18.748 0.130 1.00 0.00 C ATOM 238 CD ARG A 15 -6.103 -19.211 1.277 1.00 0.00 C ATOM 239 NE ARG A 15 -7.497 -19.366 0.864 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.995 -20.479 0.326 1.00 0.00 C ATOM 241 NH1 ARG A 15 -7.220 -21.539 0.130 1.00 0.00 N ATOM 242 NH2 ARG A 15 -9.274 -20.530 -0.019 1.00 0.00 N ATOM 0 H ARG A 15 -3.372 -21.581 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.104 -18.850 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.437 -20.487 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.142 -20.598 0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.411 -18.126 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.798 -18.127 -0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.731 -20.161 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.045 -18.491 2.094 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.127 -18.574 0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.235 -21.506 0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.610 -22.387 -0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.874 -19.719 0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.658 -21.381 -0.431 1.00 0.00 H new ATOM 256 N SER A 16 -1.411 -19.505 -0.697 1.00 0.00 N ATOM 257 CA SER A 16 -0.234 -18.909 -0.074 1.00 0.00 C ATOM 258 C SER A 16 0.386 -17.851 -0.981 1.00 0.00 C ATOM 259 O SER A 16 0.973 -16.879 -0.506 1.00 0.00 O ATOM 260 CB SER A 16 0.800 -19.989 0.248 1.00 0.00 C ATOM 261 OG SER A 16 1.630 -19.596 1.327 1.00 0.00 O ATOM 0 H SER A 16 -1.357 -20.516 -0.819 1.00 0.00 H new ATOM 0 HA SER A 16 -0.549 -18.428 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.292 -20.921 0.497 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.412 -20.185 -0.633 1.00 0.00 H new ATOM 0 HG SER A 16 2.281 -20.304 1.514 1.00 0.00 H new ATOM 267 N HIS A 17 0.250 -18.046 -2.289 1.00 0.00 N ATOM 268 CA HIS A 17 0.797 -17.107 -3.262 1.00 0.00 C ATOM 269 C HIS A 17 -0.061 -15.847 -3.344 1.00 0.00 C ATOM 270 O HIS A 17 0.445 -14.757 -3.609 1.00 0.00 O ATOM 271 CB HIS A 17 0.889 -17.764 -4.640 1.00 0.00 C ATOM 272 CG HIS A 17 2.200 -18.443 -4.891 1.00 0.00 C ATOM 273 ND1 HIS A 17 2.397 -19.795 -4.698 1.00 0.00 N ATOM 274 CD2 HIS A 17 3.384 -17.951 -5.325 1.00 0.00 C ATOM 275 CE1 HIS A 17 3.646 -20.103 -5.001 1.00 0.00 C ATOM 276 NE2 HIS A 17 4.266 -19.003 -5.384 1.00 0.00 N ATOM 0 H HIS A 17 -0.234 -18.845 -2.699 1.00 0.00 H new ATOM 0 HA HIS A 17 1.797 -16.824 -2.934 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.086 -18.494 -4.740 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.729 -17.006 -5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.596 -16.923 -5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.085 -21.088 -4.945 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.241 -18.943 -5.676 1.00 0.00 H new ATOM 285 N LEU A 18 -1.360 -16.007 -3.113 1.00 0.00 N ATOM 286 CA LEU A 18 -2.287 -14.882 -3.160 1.00 0.00 C ATOM 287 C LEU A 18 -2.205 -14.054 -1.882 1.00 0.00 C ATOM 288 O LEU A 18 -2.302 -12.828 -1.918 1.00 0.00 O ATOM 289 CB LEU A 18 -3.718 -15.383 -3.365 1.00 0.00 C ATOM 290 CG LEU A 18 -3.970 -16.101 -4.693 1.00 0.00 C ATOM 291 CD1 LEU A 18 -5.001 -17.204 -4.516 1.00 0.00 C ATOM 292 CD2 LEU A 18 -4.422 -15.110 -5.755 1.00 0.00 C ATOM 0 H LEU A 18 -1.794 -16.903 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.006 -14.247 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.969 -16.061 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.398 -14.534 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.036 -16.556 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.167 -17.703 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.638 -17.928 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.938 -16.773 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.597 -15.637 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.344 -14.627 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.649 -14.356 -5.901 1.00 0.00 H new ATOM 304 N VAL A 19 -2.023 -14.733 -0.754 1.00 0.00 N ATOM 305 CA VAL A 19 -1.928 -14.060 0.535 1.00 0.00 C ATOM 306 C VAL A 19 -0.759 -13.080 0.558 1.00 0.00 C ATOM 307 O VAL A 19 -0.915 -11.920 0.940 1.00 0.00 O ATOM 308 CB VAL A 19 -1.759 -15.072 1.686 1.00 0.00 C ATOM 309 CG1 VAL A 19 -1.808 -14.366 3.034 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.823 -16.157 1.606 1.00 0.00 C ATOM 0 H VAL A 19 -1.938 -15.748 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.860 -13.513 0.676 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.782 -15.545 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.687 -15.098 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.004 -13.632 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.768 -13.862 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.687 -16.861 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.811 -15.703 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.734 -16.685 0.656 1.00 0.00 H new ATOM 320 N HIS A 20 0.412 -13.555 0.145 1.00 0.00 N ATOM 321 CA HIS A 20 1.608 -12.720 0.118 1.00 0.00 C ATOM 322 C HIS A 20 1.457 -11.586 -0.891 1.00 0.00 C ATOM 323 O HIS A 20 1.988 -10.493 -0.695 1.00 0.00 O ATOM 324 CB HIS A 20 2.836 -13.564 -0.226 1.00 0.00 C ATOM 325 CG HIS A 20 3.099 -14.666 0.753 1.00 0.00 C ATOM 326 ND1 HIS A 20 2.699 -14.612 2.072 1.00 0.00 N ATOM 327 CD2 HIS A 20 3.723 -15.857 0.600 1.00 0.00 C ATOM 328 CE1 HIS A 20 3.068 -15.721 2.687 1.00 0.00 C ATOM 329 NE2 HIS A 20 3.690 -16.493 1.817 1.00 0.00 N ATOM 0 H HIS A 20 0.558 -14.512 -0.175 1.00 0.00 H new ATOM 0 HA HIS A 20 1.740 -12.285 1.109 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.704 -13.995 -1.219 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.711 -12.915 -0.274 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.165 -16.237 -0.310 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.891 -15.956 3.726 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.083 -17.413 2.016 1.00 0.00 H new ATOM 338 N LYS A 21 0.728 -11.853 -1.969 1.00 0.00 N ATOM 339 CA LYS A 21 0.507 -10.854 -3.008 1.00 0.00 C ATOM 340 C LYS A 21 -0.260 -9.657 -2.458 1.00 0.00 C ATOM 341 O LYS A 21 0.088 -8.507 -2.727 1.00 0.00 O ATOM 342 CB LYS A 21 -0.258 -11.470 -4.182 1.00 0.00 C ATOM 343 CG LYS A 21 0.643 -12.041 -5.264 1.00 0.00 C ATOM 344 CD LYS A 21 0.034 -11.864 -6.646 1.00 0.00 C ATOM 345 CE LYS A 21 0.858 -12.571 -7.712 1.00 0.00 C ATOM 346 NZ LYS A 21 0.739 -11.904 -9.038 1.00 0.00 N ATOM 0 H LYS A 21 0.280 -12.752 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 21 1.480 -10.509 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.907 -12.261 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.904 -10.710 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.615 -11.548 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.815 -13.100 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.983 -12.257 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.034 -10.802 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.905 -12.591 -7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.531 -13.607 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.315 -12.416 -9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.256 -11.907 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.075 -10.923 -8.964 1.00 0.00 H new ATOM 360 N LEU A 22 -1.305 -9.934 -1.686 1.00 0.00 N ATOM 361 CA LEU A 22 -2.121 -8.879 -1.095 1.00 0.00 C ATOM 362 C LEU A 22 -1.286 -7.999 -0.170 1.00 0.00 C ATOM 363 O LEU A 22 -1.545 -6.803 -0.034 1.00 0.00 O ATOM 364 CB LEU A 22 -3.296 -9.487 -0.324 1.00 0.00 C ATOM 365 CG LEU A 22 -4.622 -9.523 -1.088 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.355 -10.829 -0.828 1.00 0.00 C ATOM 367 CD2 LEU A 22 -5.491 -8.335 -0.700 1.00 0.00 C ATOM 0 H LEU A 22 -1.607 -10.880 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.509 -8.257 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.033 -10.504 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.439 -8.920 0.596 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.407 -9.459 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.295 -10.835 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.737 -11.665 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.560 -10.925 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.430 -8.375 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.697 -8.369 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.969 -7.409 -0.940 1.00 0.00 H new ATOM 379 N VAL A 23 -0.284 -8.599 0.463 1.00 0.00 N ATOM 380 CA VAL A 23 0.588 -7.870 1.376 1.00 0.00 C ATOM 381 C VAL A 23 1.591 -7.013 0.610 1.00 0.00 C ATOM 382 O VAL A 23 2.007 -5.954 1.083 1.00 0.00 O ATOM 383 CB VAL A 23 1.355 -8.829 2.307 1.00 0.00 C ATOM 384 CG1 VAL A 23 2.114 -8.049 3.370 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.403 -9.828 2.945 1.00 0.00 C ATOM 0 H VAL A 23 -0.056 -9.588 0.361 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.052 -7.226 1.979 1.00 0.00 H new ATOM 0 HB VAL A 23 2.080 -9.383 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.649 -8.743 4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.826 -7.378 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.411 -7.466 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.962 -10.497 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.347 -9.294 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.089 -10.410 2.166 1.00 0.00 H new ATOM 395 N GLN A 24 1.975 -7.476 -0.576 1.00 0.00 N ATOM 396 CA GLN A 24 2.929 -6.752 -1.407 1.00 0.00 C ATOM 397 C GLN A 24 2.374 -5.391 -1.816 1.00 0.00 C ATOM 398 O GLN A 24 3.130 -4.446 -2.045 1.00 0.00 O ATOM 399 CB GLN A 24 3.274 -7.571 -2.653 1.00 0.00 C ATOM 400 CG GLN A 24 4.728 -7.445 -3.080 1.00 0.00 C ATOM 401 CD GLN A 24 5.298 -8.751 -3.596 1.00 0.00 C ATOM 402 OE1 GLN A 24 4.590 -9.555 -4.203 1.00 0.00 O ATOM 403 NE2 GLN A 24 6.586 -8.971 -3.356 1.00 0.00 N ATOM 0 H GLN A 24 1.640 -8.349 -0.982 1.00 0.00 H new ATOM 0 HA GLN A 24 3.835 -6.592 -0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.050 -8.620 -2.462 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.633 -7.253 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.810 -6.685 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.323 -7.102 -2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.136 -8.278 -2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.025 -9.833 -3.679 1.00 0.00 H new ATOM 412 N ALA A 25 1.052 -5.298 -1.907 1.00 0.00 N ATOM 413 CA ALA A 25 0.398 -4.051 -2.290 1.00 0.00 C ATOM 414 C ALA A 25 0.756 -2.923 -1.329 1.00 0.00 C ATOM 415 O ALA A 25 1.365 -1.928 -1.723 1.00 0.00 O ATOM 416 CB ALA A 25 -1.110 -4.243 -2.342 1.00 0.00 C ATOM 0 H ALA A 25 0.412 -6.070 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 25 0.754 -3.773 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.586 -3.306 -2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.354 -5.013 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.472 -4.548 -1.360 1.00 0.00 H new ATOM 422 N ILE A 26 0.375 -3.083 -0.065 1.00 0.00 N ATOM 423 CA ILE A 26 0.656 -2.078 0.951 1.00 0.00 C ATOM 424 C ILE A 26 2.150 -1.993 1.246 1.00 0.00 C ATOM 425 O ILE A 26 2.671 -0.924 1.561 1.00 0.00 O ATOM 426 CB ILE A 26 -0.098 -2.377 2.261 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.577 -2.647 1.975 1.00 0.00 C ATOM 428 CG2 ILE A 26 0.057 -1.221 3.238 1.00 0.00 C ATOM 429 CD1 ILE A 26 -1.918 -4.118 1.892 1.00 0.00 C ATOM 0 H ILE A 26 -0.129 -3.900 0.279 1.00 0.00 H new ATOM 0 HA ILE A 26 0.313 -1.123 0.552 1.00 0.00 H new ATOM 0 HB ILE A 26 0.333 -3.270 2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.180 -2.186 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.851 -2.165 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.481 -1.448 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.113 -1.074 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.350 -0.312 2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.982 -4.234 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.342 -4.580 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.676 -4.602 2.838 1.00 0.00 H new ATOM 441 N PHE A 27 2.835 -3.127 1.141 1.00 0.00 N ATOM 442 CA PHE A 27 4.270 -3.179 1.397 1.00 0.00 C ATOM 443 C PHE A 27 4.974 -4.064 0.369 1.00 0.00 C ATOM 444 O PHE A 27 5.286 -5.223 0.644 1.00 0.00 O ATOM 445 CB PHE A 27 4.537 -3.700 2.811 1.00 0.00 C ATOM 446 CG PHE A 27 5.606 -2.936 3.539 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.867 -2.787 2.987 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.348 -2.368 4.777 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.852 -2.084 3.654 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.329 -1.665 5.449 1.00 0.00 C ATOM 451 CZ PHE A 27 7.583 -1.523 4.887 1.00 0.00 C ATOM 0 H PHE A 27 2.420 -4.022 0.881 1.00 0.00 H new ATOM 0 HA PHE A 27 4.669 -2.168 1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.613 -3.654 3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.826 -4.749 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.083 -3.225 2.024 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.369 -2.476 5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.831 -1.973 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.116 -1.227 6.413 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.352 -0.974 5.411 1.00 0.00 H new ATOM 461 N PRO A 28 5.230 -3.526 -0.836 1.00 0.00 N ATOM 462 CA PRO A 28 5.897 -4.271 -1.910 1.00 0.00 C ATOM 463 C PRO A 28 7.289 -4.749 -1.508 1.00 0.00 C ATOM 464 O PRO A 28 7.542 -5.950 -1.422 1.00 0.00 O ATOM 465 CB PRO A 28 5.991 -3.257 -3.056 1.00 0.00 C ATOM 466 CG PRO A 28 4.963 -2.223 -2.746 1.00 0.00 C ATOM 467 CD PRO A 28 4.888 -2.155 -1.248 1.00 0.00 C ATOM 0 HA PRO A 28 5.348 -5.176 -2.172 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.987 -2.818 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.796 -3.731 -4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.241 -1.257 -3.168 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.997 -2.492 -3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.588 -1.425 -0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.894 -1.867 -0.906 1.00 0.00 H new ATOM 475 N THR A 29 8.189 -3.801 -1.267 1.00 0.00 N ATOM 476 CA THR A 29 9.558 -4.131 -0.878 1.00 0.00 C ATOM 477 C THR A 29 9.595 -4.772 0.508 1.00 0.00 C ATOM 478 O THR A 29 8.679 -4.593 1.310 1.00 0.00 O ATOM 479 CB THR A 29 10.450 -2.883 -0.902 1.00 0.00 C ATOM 480 OG1 THR A 29 11.593 -3.063 -0.084 1.00 0.00 O ATOM 481 CG2 THR A 29 9.751 -1.623 -0.433 1.00 0.00 C ATOM 0 H THR A 29 7.997 -2.801 -1.334 1.00 0.00 H new ATOM 0 HA THR A 29 9.942 -4.849 -1.603 1.00 0.00 H new ATOM 0 HB THR A 29 10.724 -2.757 -1.949 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.148 -2.256 -0.115 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.445 -0.784 -0.478 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.895 -1.421 -1.077 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.410 -1.757 0.594 1.00 0.00 H new ATOM 489 N PRO A 30 10.663 -5.532 0.805 1.00 0.00 N ATOM 490 CA PRO A 30 10.822 -6.206 2.098 1.00 0.00 C ATOM 491 C PRO A 30 11.052 -5.219 3.237 1.00 0.00 C ATOM 492 O PRO A 30 11.438 -4.072 3.011 1.00 0.00 O ATOM 493 CB PRO A 30 12.064 -7.093 1.903 1.00 0.00 C ATOM 494 CG PRO A 30 12.321 -7.106 0.431 1.00 0.00 C ATOM 495 CD PRO A 30 11.796 -5.800 -0.090 1.00 0.00 C ATOM 0 HA PRO A 30 9.927 -6.765 2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.920 -6.694 2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.889 -8.101 2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.386 -7.211 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.818 -7.947 -0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.547 -5.012 -0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.482 -5.875 -1.131 1.00 0.00 H new ATOM 503 N ASP A 31 10.815 -5.673 4.463 1.00 0.00 N ATOM 504 CA ASP A 31 10.996 -4.831 5.640 1.00 0.00 C ATOM 505 C ASP A 31 11.001 -5.675 6.913 1.00 0.00 C ATOM 506 O ASP A 31 9.965 -5.848 7.555 1.00 0.00 O ATOM 507 CB ASP A 31 9.890 -3.776 5.712 1.00 0.00 C ATOM 508 CG ASP A 31 10.415 -2.373 5.478 1.00 0.00 C ATOM 509 OD1 ASP A 31 10.782 -2.061 4.326 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.459 -1.586 6.447 1.00 0.00 O ATOM 0 H ASP A 31 10.497 -6.620 4.668 1.00 0.00 H new ATOM 0 HA ASP A 31 11.959 -4.328 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.125 -4.004 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.409 -3.823 6.689 1.00 0.00 H new ATOM 515 N PRO A 32 12.172 -6.211 7.298 1.00 0.00 N ATOM 516 CA PRO A 32 12.302 -7.038 8.503 1.00 0.00 C ATOM 517 C PRO A 32 11.917 -6.276 9.766 1.00 0.00 C ATOM 518 O PRO A 32 11.519 -6.873 10.766 1.00 0.00 O ATOM 519 CB PRO A 32 13.789 -7.414 8.534 1.00 0.00 C ATOM 520 CG PRO A 32 14.462 -6.419 7.653 1.00 0.00 C ATOM 521 CD PRO A 32 13.458 -6.056 6.598 1.00 0.00 C ATOM 0 HA PRO A 32 11.639 -7.902 8.474 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.185 -7.372 9.549 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.946 -8.430 8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.768 -5.540 8.220 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.363 -6.840 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.601 -5.037 6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.528 -6.713 5.731 1.00 0.00 H new ATOM 529 N ALA A 33 12.033 -4.953 9.711 1.00 0.00 N ATOM 530 CA ALA A 33 11.693 -4.109 10.848 1.00 0.00 C ATOM 531 C ALA A 33 10.185 -3.902 10.946 1.00 0.00 C ATOM 532 O ALA A 33 9.657 -3.621 12.022 1.00 0.00 O ATOM 533 CB ALA A 33 12.406 -2.770 10.742 1.00 0.00 C ATOM 0 H ALA A 33 12.360 -4.443 8.890 1.00 0.00 H new ATOM 0 HA ALA A 33 12.024 -4.613 11.756 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.143 -2.149 11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.484 -2.932 10.729 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.103 -2.268 9.823 1.00 0.00 H new ATOM 539 N ALA A 34 9.495 -4.041 9.817 1.00 0.00 N ATOM 540 CA ALA A 34 8.049 -3.868 9.781 1.00 0.00 C ATOM 541 C ALA A 34 7.342 -4.986 10.540 1.00 0.00 C ATOM 542 O ALA A 34 6.330 -4.756 11.202 1.00 0.00 O ATOM 543 CB ALA A 34 7.559 -3.813 8.342 1.00 0.00 C ATOM 0 H ALA A 34 9.915 -4.273 8.917 1.00 0.00 H new ATOM 0 HA ALA A 34 7.810 -2.924 10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.477 -3.684 8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.030 -2.975 7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.819 -4.742 7.834 1.00 0.00 H new ATOM 549 N LEU A 35 7.886 -6.195 10.444 1.00 0.00 N ATOM 550 CA LEU A 35 7.307 -7.349 11.125 1.00 0.00 C ATOM 551 C LEU A 35 7.212 -7.099 12.627 1.00 0.00 C ATOM 552 O LEU A 35 6.310 -7.605 13.295 1.00 0.00 O ATOM 553 CB LEU A 35 8.144 -8.602 10.855 1.00 0.00 C ATOM 554 CG LEU A 35 8.571 -8.796 9.398 1.00 0.00 C ATOM 555 CD1 LEU A 35 9.226 -10.156 9.212 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.377 -8.646 8.467 1.00 0.00 C ATOM 0 H LEU A 35 8.725 -6.401 9.902 1.00 0.00 H new ATOM 0 HA LEU A 35 6.301 -7.504 10.735 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.038 -8.564 11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.574 -9.476 11.170 1.00 0.00 H new ATOM 0 HG LEU A 35 9.300 -8.026 9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.523 -10.277 8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.106 -10.226 9.851 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.519 -10.940 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.700 -8.787 7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.624 -9.394 8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.950 -7.649 8.580 1.00 0.00 H new ATOM 568 N LYS A 36 8.147 -6.313 13.149 1.00 0.00 N ATOM 569 CA LYS A 36 8.168 -5.990 14.570 1.00 0.00 C ATOM 570 C LYS A 36 7.278 -4.786 14.867 1.00 0.00 C ATOM 571 O LYS A 36 6.806 -4.615 15.991 1.00 0.00 O ATOM 572 CB LYS A 36 9.599 -5.707 15.029 1.00 0.00 C ATOM 573 CG LYS A 36 10.580 -6.813 14.677 1.00 0.00 C ATOM 574 CD LYS A 36 10.352 -8.052 15.526 1.00 0.00 C ATOM 575 CE LYS A 36 11.662 -8.744 15.867 1.00 0.00 C ATOM 576 NZ LYS A 36 11.650 -9.309 17.246 1.00 0.00 N ATOM 0 H LYS A 36 8.900 -5.888 12.609 1.00 0.00 H new ATOM 0 HA LYS A 36 7.782 -6.849 15.119 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.939 -4.774 14.578 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.603 -5.559 16.109 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.477 -7.070 13.623 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.600 -6.455 14.820 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.836 -7.774 16.445 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.702 -8.745 14.992 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.848 -9.543 15.149 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.483 -8.033 15.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.561 -9.772 17.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.498 -8.544 17.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.883 -10.006 17.329 1.00 0.00 H new ATOM 590 N ASP A 37 7.052 -3.953 13.854 1.00 0.00 N ATOM 591 CA ASP A 37 6.219 -2.767 14.012 1.00 0.00 C ATOM 592 C ASP A 37 4.784 -3.153 14.355 1.00 0.00 C ATOM 593 O ASP A 37 4.212 -4.058 13.748 1.00 0.00 O ATOM 594 CB ASP A 37 6.243 -1.928 12.733 1.00 0.00 C ATOM 595 CG ASP A 37 5.939 -0.466 12.995 1.00 0.00 C ATOM 596 OD1 ASP A 37 6.721 0.181 13.722 1.00 0.00 O ATOM 597 OD2 ASP A 37 4.920 0.031 12.473 1.00 0.00 O ATOM 0 H ASP A 37 7.434 -4.078 12.917 1.00 0.00 H new ATOM 0 HA ASP A 37 6.623 -2.175 14.833 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.223 -2.014 12.264 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.515 -2.327 12.026 1.00 0.00 H new ATOM 602 N ARG A 38 4.208 -2.459 15.330 1.00 0.00 N ATOM 603 CA ARG A 38 2.838 -2.728 15.754 1.00 0.00 C ATOM 604 C ARG A 38 1.856 -2.493 14.610 1.00 0.00 C ATOM 605 O ARG A 38 0.810 -3.137 14.535 1.00 0.00 O ATOM 606 CB ARG A 38 2.469 -1.845 16.947 1.00 0.00 C ATOM 607 CG ARG A 38 2.796 -2.471 18.293 1.00 0.00 C ATOM 608 CD ARG A 38 4.111 -1.947 18.846 1.00 0.00 C ATOM 609 NE ARG A 38 5.262 -2.472 18.116 1.00 0.00 N ATOM 610 CZ ARG A 38 6.522 -2.118 18.362 1.00 0.00 C ATOM 611 NH1 ARG A 38 6.796 -1.239 19.317 1.00 0.00 N ATOM 612 NH2 ARG A 38 7.509 -2.645 17.651 1.00 0.00 N ATOM 0 H ARG A 38 4.668 -1.706 15.842 1.00 0.00 H new ATOM 0 HA ARG A 38 2.776 -3.775 16.052 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.995 -0.894 16.861 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.402 -1.624 16.908 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.993 -2.259 18.999 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.850 -3.555 18.188 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.117 -0.858 18.796 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.195 -2.218 19.898 1.00 0.00 H new ATOM 0 HE ARG A 38 5.091 -3.150 17.374 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.040 -0.831 19.867 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.763 -0.971 19.502 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.303 -3.321 16.916 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.474 -2.374 17.839 1.00 0.00 H new ATOM 626 N ARG A 39 2.202 -1.568 13.720 1.00 0.00 N ATOM 627 CA ARG A 39 1.350 -1.249 12.580 1.00 0.00 C ATOM 628 C ARG A 39 1.112 -2.482 11.714 1.00 0.00 C ATOM 629 O ARG A 39 0.006 -2.702 11.220 1.00 0.00 O ATOM 630 CB ARG A 39 1.982 -0.137 11.741 1.00 0.00 C ATOM 631 CG ARG A 39 1.123 0.301 10.564 1.00 0.00 C ATOM 632 CD ARG A 39 1.878 0.192 9.248 1.00 0.00 C ATOM 633 NE ARG A 39 2.435 -1.143 9.045 1.00 0.00 N ATOM 634 CZ ARG A 39 2.793 -1.626 7.858 1.00 0.00 C ATOM 635 NH1 ARG A 39 2.657 -0.887 6.763 1.00 0.00 N ATOM 636 NH2 ARG A 39 3.287 -2.852 7.763 1.00 0.00 N ATOM 0 H ARG A 39 3.065 -1.027 13.766 1.00 0.00 H new ATOM 0 HA ARG A 39 0.389 -0.906 12.962 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.174 0.725 12.380 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.948 -0.479 11.368 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.224 -0.314 10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.798 1.331 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.207 0.434 8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.683 0.927 9.230 1.00 0.00 H new ATOM 0 HE ARG A 39 2.557 -1.741 9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.276 0.057 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.933 -1.263 5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.393 -3.425 8.600 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.561 -3.222 6.853 1.00 0.00 H new ATOM 650 N MET A 40 2.157 -3.284 11.534 1.00 0.00 N ATOM 651 CA MET A 40 2.062 -4.496 10.728 1.00 0.00 C ATOM 652 C MET A 40 0.982 -5.428 11.267 1.00 0.00 C ATOM 653 O MET A 40 0.365 -6.181 10.513 1.00 0.00 O ATOM 654 CB MET A 40 3.408 -5.221 10.698 1.00 0.00 C ATOM 655 CG MET A 40 3.529 -6.237 9.573 1.00 0.00 C ATOM 656 SD MET A 40 4.701 -5.732 8.298 1.00 0.00 S ATOM 657 CE MET A 40 3.819 -6.214 6.816 1.00 0.00 C ATOM 0 H MET A 40 3.079 -3.116 11.936 1.00 0.00 H new ATOM 0 HA MET A 40 1.791 -4.205 9.713 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.205 -4.485 10.598 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.559 -5.728 11.651 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.841 -7.196 9.987 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.549 -6.389 9.120 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.233 -7.147 6.433 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.764 -6.355 7.050 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.922 -5.434 6.061 1.00 0.00 H new ATOM 667 N GLU A 41 0.754 -5.370 12.575 1.00 0.00 N ATOM 668 CA GLU A 41 -0.256 -6.208 13.213 1.00 0.00 C ATOM 669 C GLU A 41 -1.625 -5.981 12.580 1.00 0.00 C ATOM 670 O GLU A 41 -2.435 -6.902 12.479 1.00 0.00 O ATOM 671 CB GLU A 41 -0.319 -5.918 14.713 1.00 0.00 C ATOM 672 CG GLU A 41 -0.634 -7.141 15.558 1.00 0.00 C ATOM 673 CD GLU A 41 0.553 -8.074 15.696 1.00 0.00 C ATOM 674 OE1 GLU A 41 1.181 -8.393 14.664 1.00 0.00 O ATOM 675 OE2 GLU A 41 0.854 -8.489 16.835 1.00 0.00 O ATOM 0 H GLU A 41 1.254 -4.752 13.214 1.00 0.00 H new ATOM 0 HA GLU A 41 0.026 -7.251 13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.636 -5.501 15.034 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.077 -5.156 14.895 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.957 -6.821 16.549 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.467 -7.683 15.111 1.00 0.00 H new ATOM 682 N ASN A 42 -1.873 -4.748 12.153 1.00 0.00 N ATOM 683 CA ASN A 42 -3.142 -4.397 11.526 1.00 0.00 C ATOM 684 C ASN A 42 -3.161 -4.829 10.063 1.00 0.00 C ATOM 685 O ASN A 42 -4.212 -5.165 9.519 1.00 0.00 O ATOM 686 CB ASN A 42 -3.385 -2.889 11.627 1.00 0.00 C ATOM 687 CG ASN A 42 -4.156 -2.512 12.877 1.00 0.00 C ATOM 688 OD1 ASN A 42 -5.256 -3.009 13.116 1.00 0.00 O ATOM 689 ND2 ASN A 42 -3.580 -1.627 13.681 1.00 0.00 N ATOM 0 H ASN A 42 -1.212 -3.975 12.230 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.938 -4.922 12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.428 -2.368 11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.935 -2.552 10.748 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.051 -1.333 14.537 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.666 -1.241 13.443 1.00 0.00 H new ATOM 696 N LEU A 43 -1.990 -4.818 9.432 1.00 0.00 N ATOM 697 CA LEU A 43 -1.874 -5.209 8.033 1.00 0.00 C ATOM 698 C LEU A 43 -2.341 -6.648 7.829 1.00 0.00 C ATOM 699 O LEU A 43 -3.063 -6.947 6.877 1.00 0.00 O ATOM 700 CB LEU A 43 -0.426 -5.055 7.558 1.00 0.00 C ATOM 701 CG LEU A 43 -0.255 -4.299 6.241 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.218 -4.039 5.961 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.889 -5.074 5.095 1.00 0.00 C ATOM 0 H LEU A 43 -1.110 -4.543 9.868 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.514 -4.553 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.141 -4.539 8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.012 -6.047 7.450 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.762 -3.338 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.320 -3.500 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.642 -3.442 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.749 -4.989 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.758 -4.521 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.411 -6.050 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.953 -5.207 5.291 1.00 0.00 H new ATOM 715 N VAL A 44 -1.926 -7.532 8.729 1.00 0.00 N ATOM 716 CA VAL A 44 -2.303 -8.938 8.649 1.00 0.00 C ATOM 717 C VAL A 44 -3.818 -9.103 8.705 1.00 0.00 C ATOM 718 O VAL A 44 -4.427 -9.653 7.788 1.00 0.00 O ATOM 719 CB VAL A 44 -1.666 -9.755 9.788 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.930 -11.241 9.595 1.00 0.00 C ATOM 721 CG2 VAL A 44 -0.173 -9.478 9.874 1.00 0.00 C ATOM 0 H VAL A 44 -1.328 -7.300 9.522 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.934 -9.312 7.694 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.124 -9.449 10.729 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.472 -11.801 10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.005 -11.422 9.590 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.503 -11.566 8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.260 -10.064 10.685 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.303 -9.753 8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.010 -8.418 10.066 1.00 0.00 H new ATOM 731 N ALA A 45 -4.421 -8.622 9.787 1.00 0.00 N ATOM 732 CA ALA A 45 -5.866 -8.714 9.964 1.00 0.00 C ATOM 733 C ALA A 45 -6.604 -8.077 8.791 1.00 0.00 C ATOM 734 O ALA A 45 -7.680 -8.530 8.402 1.00 0.00 O ATOM 735 CB ALA A 45 -6.280 -8.055 11.270 1.00 0.00 C ATOM 0 H ALA A 45 -3.931 -8.164 10.555 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.137 -9.769 10.000 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.361 -8.131 11.389 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.787 -8.556 12.103 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.990 -7.005 11.256 1.00 0.00 H new ATOM 741 N TYR A 46 -6.015 -7.027 8.228 1.00 0.00 N ATOM 742 CA TYR A 46 -6.613 -6.329 7.098 1.00 0.00 C ATOM 743 C TYR A 46 -6.687 -7.242 5.878 1.00 0.00 C ATOM 744 O TYR A 46 -7.743 -7.392 5.264 1.00 0.00 O ATOM 745 CB TYR A 46 -5.807 -5.071 6.765 1.00 0.00 C ATOM 746 CG TYR A 46 -6.332 -4.313 5.565 1.00 0.00 C ATOM 747 CD1 TYR A 46 -5.881 -4.605 4.284 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.275 -3.305 5.715 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.357 -3.915 3.185 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.756 -2.610 4.620 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.293 -2.919 3.359 1.00 0.00 C ATOM 752 OH TYR A 46 -7.770 -2.230 2.268 1.00 0.00 O ATOM 0 H TYR A 46 -5.123 -6.641 8.537 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.626 -6.037 7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.809 -4.409 7.631 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.770 -5.352 6.581 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.146 -5.384 4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.639 -3.060 6.702 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.997 -4.155 2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.490 -1.829 4.752 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.581 -1.740 2.519 1.00 0.00 H new ATOM 762 N ALA A 47 -5.557 -7.849 5.531 1.00 0.00 N ATOM 763 CA ALA A 47 -5.494 -8.748 4.387 1.00 0.00 C ATOM 764 C ALA A 47 -6.369 -9.979 4.604 1.00 0.00 C ATOM 765 O ALA A 47 -6.864 -10.577 3.649 1.00 0.00 O ATOM 766 CB ALA A 47 -4.053 -9.164 4.123 1.00 0.00 C ATOM 0 H ALA A 47 -4.673 -7.734 6.026 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.874 -8.214 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.020 -9.836 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.451 -8.279 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.655 -9.675 5.000 1.00 0.00 H new ATOM 772 N LYS A 48 -6.553 -10.354 5.867 1.00 0.00 N ATOM 773 CA LYS A 48 -7.365 -11.516 6.210 1.00 0.00 C ATOM 774 C LYS A 48 -8.850 -11.229 6.008 1.00 0.00 C ATOM 775 O LYS A 48 -9.616 -12.116 5.634 1.00 0.00 O ATOM 776 CB LYS A 48 -7.107 -11.933 7.659 1.00 0.00 C ATOM 777 CG LYS A 48 -5.980 -12.941 7.812 1.00 0.00 C ATOM 778 CD LYS A 48 -5.415 -12.937 9.223 1.00 0.00 C ATOM 779 CE LYS A 48 -4.076 -13.653 9.289 1.00 0.00 C ATOM 780 NZ LYS A 48 -4.175 -15.060 8.812 1.00 0.00 N ATOM 0 H LYS A 48 -6.150 -9.870 6.669 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.081 -12.332 5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.872 -11.046 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.021 -12.357 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.347 -13.938 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.186 -12.712 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.296 -11.909 9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.120 -13.419 9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.346 -13.115 8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.709 -13.642 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.268 -15.544 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.925 -15.553 9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.402 -15.067 7.797 1.00 0.00 H new ATOM 794 N LYS A 49 -9.251 -9.988 6.262 1.00 0.00 N ATOM 795 CA LYS A 49 -10.648 -9.593 6.107 1.00 0.00 C ATOM 796 C LYS A 49 -10.975 -9.301 4.646 1.00 0.00 C ATOM 797 O LYS A 49 -12.064 -9.622 4.168 1.00 0.00 O ATOM 798 CB LYS A 49 -10.955 -8.366 6.969 1.00 0.00 C ATOM 799 CG LYS A 49 -10.060 -7.173 6.673 1.00 0.00 C ATOM 800 CD LYS A 49 -10.603 -5.901 7.305 1.00 0.00 C ATOM 801 CE LYS A 49 -11.567 -5.183 6.374 1.00 0.00 C ATOM 802 NZ LYS A 49 -12.740 -4.633 7.107 1.00 0.00 N ATOM 0 H LYS A 49 -8.632 -9.240 6.575 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.271 -10.424 6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.995 -8.076 6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.851 -8.636 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.056 -7.368 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.976 -7.038 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.111 -6.145 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.776 -5.237 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.045 -4.373 5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.911 -5.874 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.373 -4.151 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.253 -5.409 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.414 -3.954 7.824 1.00 0.00 H new ATOM 816 N VAL A 50 -10.028 -8.690 3.940 1.00 0.00 N ATOM 817 CA VAL A 50 -10.221 -8.355 2.534 1.00 0.00 C ATOM 818 C VAL A 50 -10.102 -9.590 1.650 1.00 0.00 C ATOM 819 O VAL A 50 -10.919 -9.798 0.753 1.00 0.00 O ATOM 820 CB VAL A 50 -9.206 -7.297 2.060 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.541 -6.828 0.652 1.00 0.00 C ATOM 822 CG2 VAL A 50 -9.164 -6.122 3.028 1.00 0.00 C ATOM 0 H VAL A 50 -9.121 -8.417 4.318 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.227 -7.945 2.446 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.217 -7.754 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.813 -6.081 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.511 -7.677 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.539 -6.389 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.441 -5.386 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.151 -5.663 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.870 -6.475 4.016 1.00 0.00 H new ATOM 832 N GLU A 51 -9.087 -10.414 1.904 1.00 0.00 N ATOM 833 CA GLU A 51 -8.883 -11.630 1.121 1.00 0.00 C ATOM 834 C GLU A 51 -10.182 -12.419 1.030 1.00 0.00 C ATOM 835 O GLU A 51 -10.559 -12.893 -0.042 1.00 0.00 O ATOM 836 CB GLU A 51 -7.780 -12.493 1.738 1.00 0.00 C ATOM 837 CG GLU A 51 -8.094 -12.968 3.146 1.00 0.00 C ATOM 838 CD GLU A 51 -8.876 -14.268 3.163 1.00 0.00 C ATOM 839 OE1 GLU A 51 -8.418 -15.244 2.531 1.00 0.00 O ATOM 840 OE2 GLU A 51 -9.945 -14.310 3.808 1.00 0.00 O ATOM 0 H GLU A 51 -8.398 -10.263 2.641 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.572 -11.345 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.610 -13.361 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.851 -11.923 1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.163 -13.101 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.664 -12.198 3.666 1.00 0.00 H new ATOM 847 N GLY A 52 -10.879 -12.532 2.157 1.00 0.00 N ATOM 848 CA GLY A 52 -12.144 -13.235 2.168 1.00 0.00 C ATOM 849 C GLY A 52 -13.160 -12.532 1.294 1.00 0.00 C ATOM 850 O GLY A 52 -14.017 -13.167 0.681 1.00 0.00 O ATOM 0 H GLY A 52 -10.590 -12.150 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.000 -14.256 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.520 -13.300 3.189 1.00 0.00 H new ATOM 854 N ASP A 53 -13.039 -11.208 1.226 1.00 0.00 N ATOM 855 CA ASP A 53 -13.926 -10.395 0.410 1.00 0.00 C ATOM 856 C ASP A 53 -13.511 -10.473 -1.055 1.00 0.00 C ATOM 857 O ASP A 53 -14.338 -10.342 -1.957 1.00 0.00 O ATOM 858 CB ASP A 53 -13.902 -8.941 0.884 1.00 0.00 C ATOM 859 CG ASP A 53 -14.942 -8.662 1.951 1.00 0.00 C ATOM 860 OD1 ASP A 53 -14.899 -9.326 3.009 1.00 0.00 O ATOM 861 OD2 ASP A 53 -15.800 -7.783 1.729 1.00 0.00 O ATOM 0 H ASP A 53 -12.330 -10.677 1.731 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.941 -10.780 0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.912 -8.706 1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.073 -8.282 0.033 1.00 0.00 H new ATOM 866 N MET A 54 -12.218 -10.694 -1.282 1.00 0.00 N ATOM 867 CA MET A 54 -11.680 -10.797 -2.631 1.00 0.00 C ATOM 868 C MET A 54 -12.051 -12.136 -3.258 1.00 0.00 C ATOM 869 O MET A 54 -12.262 -12.230 -4.468 1.00 0.00 O ATOM 870 CB MET A 54 -10.159 -10.636 -2.608 1.00 0.00 C ATOM 871 CG MET A 54 -9.701 -9.233 -2.243 1.00 0.00 C ATOM 872 SD MET A 54 -10.340 -7.979 -3.371 1.00 0.00 S ATOM 873 CE MET A 54 -11.428 -7.067 -2.281 1.00 0.00 C ATOM 0 H MET A 54 -11.523 -10.805 -0.544 1.00 0.00 H new ATOM 0 HA MET A 54 -12.113 -9.999 -3.234 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.738 -11.344 -1.894 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.760 -10.896 -3.588 1.00 0.00 H new ATOM 0 HG2 MET A 54 -10.024 -9.002 -1.228 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.612 -9.198 -2.246 1.00 0.00 H new ATOM 0 HE1 MET A 54 -12.245 -6.636 -2.860 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.834 -7.740 -1.526 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.869 -6.269 -1.793 1.00 0.00 H new ATOM 883 N TYR A 55 -12.130 -13.169 -2.426 1.00 0.00 N ATOM 884 CA TYR A 55 -12.476 -14.505 -2.897 1.00 0.00 C ATOM 885 C TYR A 55 -13.943 -14.561 -3.322 1.00 0.00 C ATOM 886 O TYR A 55 -14.256 -14.931 -4.448 1.00 0.00 O ATOM 887 CB TYR A 55 -12.196 -15.531 -1.787 1.00 0.00 C ATOM 888 CG TYR A 55 -12.577 -16.962 -2.124 1.00 0.00 C ATOM 889 CD1 TYR A 55 -13.909 -17.340 -2.230 1.00 0.00 C ATOM 890 CD2 TYR A 55 -11.601 -17.940 -2.316 1.00 0.00 C ATOM 891 CE1 TYR A 55 -14.261 -18.645 -2.522 1.00 0.00 C ATOM 892 CE2 TYR A 55 -11.946 -19.249 -2.606 1.00 0.00 C ATOM 893 CZ TYR A 55 -13.277 -19.594 -2.708 1.00 0.00 C ATOM 894 OH TYR A 55 -13.627 -20.894 -2.995 1.00 0.00 O ATOM 0 H TYR A 55 -11.959 -13.107 -1.422 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.864 -14.745 -3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -11.134 -15.501 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -12.736 -15.229 -0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -14.683 -16.602 -2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.558 -17.671 -2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -15.302 -18.920 -2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.178 -19.994 -2.751 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.767 -20.990 -3.960 1.00 0.00 H new ATOM 904 N GLU A 56 -14.838 -14.173 -2.422 1.00 0.00 N ATOM 905 CA GLU A 56 -16.272 -14.179 -2.710 1.00 0.00 C ATOM 906 C GLU A 56 -16.603 -13.422 -3.999 1.00 0.00 C ATOM 907 O GLU A 56 -17.645 -13.654 -4.611 1.00 0.00 O ATOM 908 CB GLU A 56 -17.045 -13.570 -1.540 1.00 0.00 C ATOM 909 CG GLU A 56 -17.213 -14.520 -0.366 1.00 0.00 C ATOM 910 CD GLU A 56 -17.124 -13.813 0.973 1.00 0.00 C ATOM 911 OE1 GLU A 56 -16.450 -12.764 1.047 1.00 0.00 O ATOM 912 OE2 GLU A 56 -17.728 -14.308 1.948 1.00 0.00 O ATOM 0 H GLU A 56 -14.599 -13.849 -1.485 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.572 -15.218 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.527 -12.673 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.029 -13.257 -1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.177 -15.022 -0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.446 -15.293 -0.416 1.00 0.00 H new ATOM 919 N SER A 57 -15.722 -12.512 -4.401 1.00 0.00 N ATOM 920 CA SER A 57 -15.938 -11.720 -5.611 1.00 0.00 C ATOM 921 C SER A 57 -15.761 -12.558 -6.879 1.00 0.00 C ATOM 922 O SER A 57 -16.264 -12.199 -7.944 1.00 0.00 O ATOM 923 CB SER A 57 -14.976 -10.531 -5.638 1.00 0.00 C ATOM 924 OG SER A 57 -15.459 -9.502 -6.483 1.00 0.00 O ATOM 0 H SER A 57 -14.853 -12.303 -3.909 1.00 0.00 H new ATOM 0 HA SER A 57 -16.967 -11.360 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.844 -10.144 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.996 -10.860 -5.984 1.00 0.00 H new ATOM 0 HG SER A 57 -14.827 -8.753 -6.481 1.00 0.00 H new ATOM 930 N ALA A 58 -15.039 -13.667 -6.763 1.00 0.00 N ATOM 931 CA ALA A 58 -14.788 -14.547 -7.902 1.00 0.00 C ATOM 932 C ALA A 58 -15.644 -15.792 -7.859 1.00 0.00 C ATOM 933 O ALA A 58 -15.657 -16.514 -6.866 1.00 0.00 O ATOM 934 CB ALA A 58 -13.322 -14.942 -7.948 1.00 0.00 C ATOM 0 H ALA A 58 -14.615 -13.980 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.051 -13.990 -8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.148 -15.598 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.707 -14.047 -8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.057 -15.465 -7.029 1.00 0.00 H new ATOM 940 N ASN A 59 -16.310 -16.075 -8.969 1.00 0.00 N ATOM 941 CA ASN A 59 -17.102 -17.285 -9.061 1.00 0.00 C ATOM 942 C ASN A 59 -16.165 -18.434 -9.381 1.00 0.00 C ATOM 943 O ASN A 59 -16.580 -19.586 -9.452 1.00 0.00 O ATOM 944 CB ASN A 59 -18.193 -17.204 -10.135 1.00 0.00 C ATOM 945 CG ASN A 59 -17.728 -16.490 -11.389 1.00 0.00 C ATOM 946 OD1 ASN A 59 -17.256 -15.353 -11.331 1.00 0.00 O ATOM 947 ND2 ASN A 59 -17.858 -17.153 -12.531 1.00 0.00 N ATOM 0 H ASN A 59 -16.317 -15.491 -9.805 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.611 -17.431 -8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.517 -18.212 -10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -19.061 -16.685 -9.727 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.562 -16.723 -13.407 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.254 -18.093 -12.533 1.00 0.00 H new ATOM 954 N SER A 60 -14.889 -18.097 -9.583 1.00 0.00 N ATOM 955 CA SER A 60 -13.875 -19.093 -9.903 1.00 0.00 C ATOM 956 C SER A 60 -12.501 -18.631 -9.434 1.00 0.00 C ATOM 957 O SER A 60 -12.362 -17.548 -8.866 1.00 0.00 O ATOM 958 CB SER A 60 -13.851 -19.362 -11.409 1.00 0.00 C ATOM 959 OG SER A 60 -13.074 -20.509 -11.710 1.00 0.00 O ATOM 0 H SER A 60 -14.538 -17.141 -9.530 1.00 0.00 H new ATOM 0 HA SER A 60 -14.127 -20.017 -9.383 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.869 -19.503 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.443 -18.496 -11.930 1.00 0.00 H new ATOM 0 HG SER A 60 -13.167 -21.166 -10.989 1.00 0.00 H new ATOM 965 N ARG A 61 -11.489 -19.457 -9.674 1.00 0.00 N ATOM 966 CA ARG A 61 -10.128 -19.126 -9.272 1.00 0.00 C ATOM 967 C ARG A 61 -9.535 -18.059 -10.188 1.00 0.00 C ATOM 968 O ARG A 61 -8.894 -17.115 -9.725 1.00 0.00 O ATOM 969 CB ARG A 61 -9.246 -20.374 -9.291 1.00 0.00 C ATOM 970 CG ARG A 61 -7.808 -20.108 -8.874 1.00 0.00 C ATOM 971 CD ARG A 61 -6.830 -20.948 -9.677 1.00 0.00 C ATOM 972 NE ARG A 61 -6.205 -20.180 -10.753 1.00 0.00 N ATOM 973 CZ ARG A 61 -5.062 -20.522 -11.343 1.00 0.00 C ATOM 974 NH1 ARG A 61 -4.412 -21.615 -10.966 1.00 0.00 N ATOM 975 NH2 ARG A 61 -4.567 -19.765 -12.313 1.00 0.00 N ATOM 0 H ARG A 61 -11.585 -20.358 -10.143 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.164 -18.732 -8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.676 -21.123 -8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.252 -20.798 -10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.578 -19.051 -9.010 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.690 -20.326 -7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.058 -21.338 -9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.351 -21.807 -10.100 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.673 -19.331 -11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.788 -22.200 -10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.537 -21.871 -11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.062 -18.923 -12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.691 -20.025 -12.766 1.00 0.00 H new ATOM 989 N ASP A 62 -9.752 -18.218 -11.490 1.00 0.00 N ATOM 990 CA ASP A 62 -9.238 -17.271 -12.475 1.00 0.00 C ATOM 991 C ASP A 62 -9.692 -15.848 -12.159 1.00 0.00 C ATOM 992 O ASP A 62 -8.872 -14.938 -12.034 1.00 0.00 O ATOM 993 CB ASP A 62 -9.698 -17.664 -13.880 1.00 0.00 C ATOM 994 CG ASP A 62 -9.326 -19.091 -14.231 1.00 0.00 C ATOM 995 OD1 ASP A 62 -9.621 -19.998 -13.424 1.00 0.00 O ATOM 996 OD2 ASP A 62 -8.740 -19.302 -15.313 1.00 0.00 O ATOM 0 H ASP A 62 -10.281 -18.994 -11.888 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.149 -17.301 -12.433 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.779 -17.545 -13.952 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.253 -16.986 -14.608 1.00 0.00 H new ATOM 1001 N GLU A 63 -11.000 -15.665 -12.029 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.561 -14.353 -11.726 1.00 0.00 C ATOM 1003 C GLU A 63 -11.021 -13.826 -10.399 1.00 0.00 C ATOM 1004 O GLU A 63 -10.913 -12.617 -10.198 1.00 0.00 O ATOM 1005 CB GLU A 63 -13.089 -14.426 -11.679 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.752 -13.092 -11.377 1.00 0.00 C ATOM 1007 CD GLU A 63 -14.997 -12.858 -12.213 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -14.875 -12.804 -13.455 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -16.091 -12.729 -11.625 1.00 0.00 O ATOM 0 H GLU A 63 -11.692 -16.407 -12.128 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.264 -13.665 -12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.456 -14.797 -12.636 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.387 -15.150 -10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.015 -13.052 -10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.040 -12.287 -11.559 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.683 -14.743 -9.498 1.00 0.00 N ATOM 1017 CA TYR A 64 -10.154 -14.373 -8.191 1.00 0.00 C ATOM 1018 C TYR A 64 -8.742 -13.809 -8.317 1.00 0.00 C ATOM 1019 O TYR A 64 -8.343 -12.931 -7.552 1.00 0.00 O ATOM 1020 CB TYR A 64 -10.152 -15.586 -7.258 1.00 0.00 C ATOM 1021 CG TYR A 64 -9.602 -15.295 -5.880 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.925 -14.119 -5.215 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -8.757 -16.197 -5.244 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -9.424 -13.850 -3.955 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -8.252 -15.934 -3.985 1.00 0.00 C ATOM 1026 CZ TYR A 64 -8.588 -14.760 -3.345 1.00 0.00 C ATOM 1027 OH TYR A 64 -8.087 -14.496 -2.091 1.00 0.00 O ATOM 0 H TYR A 64 -10.766 -15.748 -9.650 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.797 -13.601 -7.769 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.171 -15.959 -7.161 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.563 -16.382 -7.713 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.579 -13.403 -5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.491 -17.118 -5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.686 -12.931 -3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.597 -16.645 -3.504 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.516 -15.239 -1.804 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.990 -14.321 -9.286 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.622 -13.869 -9.512 1.00 0.00 C ATOM 1039 C TYR A 65 -6.606 -12.530 -10.242 1.00 0.00 C ATOM 1040 O TYR A 65 -5.705 -11.714 -10.044 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.844 -14.914 -10.315 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.884 -15.730 -9.478 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -5.334 -16.804 -8.720 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -3.528 -15.425 -9.446 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -4.459 -17.552 -7.954 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -2.648 -16.169 -8.683 1.00 0.00 C ATOM 1047 CZ TYR A 65 -3.119 -17.231 -7.940 1.00 0.00 C ATOM 1048 OH TYR A 65 -2.246 -17.972 -7.177 1.00 0.00 O ATOM 0 H TYR A 65 -8.305 -15.049 -9.927 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.143 -13.738 -8.542 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.551 -15.586 -10.801 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.287 -14.411 -11.106 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.384 -17.059 -8.729 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.156 -14.594 -10.027 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.824 -18.384 -7.370 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.597 -15.920 -8.669 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.339 -17.616 -7.279 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.607 -12.310 -11.088 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.706 -11.070 -11.848 1.00 0.00 C ATOM 1060 C HIS A 66 -8.105 -9.907 -10.945 1.00 0.00 C ATOM 1061 O HIS A 66 -7.455 -8.862 -10.938 1.00 0.00 O ATOM 1062 CB HIS A 66 -8.725 -11.222 -12.980 1.00 0.00 C ATOM 1063 CG HIS A 66 -8.334 -10.509 -14.237 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -8.538 -11.033 -15.496 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -7.746 -9.303 -14.426 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -8.093 -10.183 -16.404 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -7.609 -9.125 -15.780 1.00 0.00 N ATOM 0 H HIS A 66 -8.361 -12.974 -11.264 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.726 -10.856 -12.274 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.857 -12.282 -13.199 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.690 -10.844 -12.642 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.442 -8.611 -13.655 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.120 -10.329 -17.474 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -7.199 -8.307 -16.231 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.178 -10.095 -10.184 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.663 -9.062 -9.276 1.00 0.00 C ATOM 1078 C LEU A 67 -8.599 -8.696 -8.246 1.00 0.00 C ATOM 1079 O LEU A 67 -8.554 -7.565 -7.764 1.00 0.00 O ATOM 1080 CB LEU A 67 -10.936 -9.532 -8.569 1.00 0.00 C ATOM 1081 CG LEU A 67 -10.811 -10.860 -7.822 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -10.178 -10.648 -6.455 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -12.174 -11.523 -7.685 1.00 0.00 C ATOM 0 H LEU A 67 -9.729 -10.954 -10.178 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.890 -8.174 -9.865 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.245 -8.763 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.731 -9.623 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.163 -11.520 -8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.098 -11.605 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.184 -10.217 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.798 -9.970 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -12.067 -12.467 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.844 -10.866 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.588 -11.711 -8.675 1.00 0.00 H new ATOM 1095 N LEU A 68 -7.746 -9.659 -7.914 1.00 0.00 N ATOM 1096 CA LEU A 68 -6.684 -9.436 -6.940 1.00 0.00 C ATOM 1097 C LEU A 68 -5.614 -8.506 -7.504 1.00 0.00 C ATOM 1098 O LEU A 68 -5.063 -7.670 -6.788 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.055 -10.768 -6.525 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.711 -10.887 -5.040 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -6.887 -11.460 -4.265 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.472 -11.749 -4.848 1.00 0.00 C ATOM 0 H LEU A 68 -7.769 -10.601 -8.305 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.124 -8.962 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.740 -11.574 -6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.145 -10.919 -7.106 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.499 -9.890 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.624 -11.538 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.751 -10.804 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.130 -12.449 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.241 -11.823 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.656 -12.745 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.630 -11.297 -5.371 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.324 -8.659 -8.793 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.320 -7.834 -9.453 1.00 0.00 C ATOM 1116 C ALA A 69 -4.738 -6.368 -9.469 1.00 0.00 C ATOM 1117 O ALA A 69 -3.926 -5.479 -9.215 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.076 -8.332 -10.869 1.00 0.00 C ATOM 0 H ALA A 69 -5.770 -9.347 -9.400 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.391 -7.913 -8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.324 -7.707 -11.350 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.724 -9.363 -10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.005 -8.284 -11.437 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.010 -6.123 -9.770 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.535 -4.762 -9.818 1.00 0.00 C ATOM 1126 C GLU A 70 -6.355 -4.063 -8.474 1.00 0.00 C ATOM 1127 O GLU A 70 -6.004 -2.884 -8.420 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.015 -4.777 -10.205 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.429 -3.602 -11.076 1.00 0.00 C ATOM 1130 CD GLU A 70 -9.896 -3.646 -11.453 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -10.314 -4.628 -12.102 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -10.628 -2.698 -11.100 1.00 0.00 O ATOM 0 H GLU A 70 -6.695 -6.848 -9.984 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.976 -4.209 -10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.234 -5.705 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.619 -4.776 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.221 -2.672 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.824 -3.596 -11.983 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.596 -4.798 -7.394 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.457 -4.248 -6.050 1.00 0.00 C ATOM 1141 C LYS A 71 -5.001 -3.908 -5.752 1.00 0.00 C ATOM 1142 O LYS A 71 -4.675 -2.772 -5.409 1.00 0.00 O ATOM 1143 CB LYS A 71 -6.985 -5.241 -5.012 1.00 0.00 C ATOM 1144 CG LYS A 71 -8.460 -5.061 -4.693 1.00 0.00 C ATOM 1145 CD LYS A 71 -8.661 -4.255 -3.421 1.00 0.00 C ATOM 1146 CE LYS A 71 -8.763 -2.767 -3.714 1.00 0.00 C ATOM 1147 NZ LYS A 71 -9.684 -2.076 -2.771 1.00 0.00 N ATOM 0 H LYS A 71 -6.888 -5.775 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.045 -3.332 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.822 -6.255 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.408 -5.135 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.954 -4.559 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.932 -6.038 -4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.567 -4.590 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.830 -4.436 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.773 -2.316 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.114 -2.622 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.725 -1.064 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.635 -2.489 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.336 -2.192 -1.798 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.128 -4.901 -5.892 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.705 -4.706 -5.643 1.00 0.00 C ATOM 1163 C ILE A 72 -2.110 -3.712 -6.635 1.00 0.00 C ATOM 1164 O ILE A 72 -1.172 -2.984 -6.314 1.00 0.00 O ATOM 1165 CB ILE A 72 -1.932 -6.037 -5.735 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.576 -7.090 -4.832 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.471 -5.831 -5.358 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -1.874 -8.431 -4.871 1.00 0.00 C ATOM 0 H ILE A 72 -4.381 -5.847 -6.176 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.608 -4.310 -4.632 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.974 -6.392 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.583 -6.722 -3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.616 -7.225 -5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.060 -6.780 -5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.018 -5.110 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.408 -5.455 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.385 -9.128 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.890 -8.821 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.841 -8.310 -4.545 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.665 -3.690 -7.841 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.197 -2.787 -8.886 1.00 0.00 C ATOM 1182 C TYR A 73 -2.596 -1.346 -8.575 1.00 0.00 C ATOM 1183 O TYR A 73 -1.753 -0.448 -8.558 1.00 0.00 O ATOM 1184 CB TYR A 73 -2.767 -3.218 -10.243 1.00 0.00 C ATOM 1185 CG TYR A 73 -2.617 -2.180 -11.334 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -1.361 -1.781 -11.775 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -3.733 -1.601 -11.923 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -1.223 -0.835 -12.772 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -3.605 -0.654 -12.920 1.00 0.00 C ATOM 1190 CZ TYR A 73 -2.348 -0.275 -13.341 1.00 0.00 C ATOM 1191 OH TYR A 73 -2.215 0.669 -14.334 1.00 0.00 O ATOM 0 H TYR A 73 -3.442 -4.289 -8.120 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.109 -2.836 -8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.271 -4.136 -10.559 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.825 -3.453 -10.123 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.479 -2.218 -11.331 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.719 -1.896 -11.596 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.240 -0.535 -13.104 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.484 -0.213 -13.367 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.103 0.962 -14.628 1.00 0.00 H new ATOM 1201 N LYS A 74 -3.884 -1.132 -8.331 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.394 0.199 -8.023 1.00 0.00 C ATOM 1203 C LYS A 74 -3.727 0.762 -6.772 1.00 0.00 C ATOM 1204 O LYS A 74 -3.310 1.921 -6.747 1.00 0.00 O ATOM 1205 CB LYS A 74 -5.910 0.156 -7.833 1.00 0.00 C ATOM 1206 CG LYS A 74 -6.610 1.445 -8.234 1.00 0.00 C ATOM 1207 CD LYS A 74 -7.163 1.362 -9.647 1.00 0.00 C ATOM 1208 CE LYS A 74 -8.406 2.221 -9.811 1.00 0.00 C ATOM 1209 NZ LYS A 74 -9.652 1.453 -9.537 1.00 0.00 N ATOM 0 H LYS A 74 -4.595 -1.864 -8.341 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.159 0.854 -8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.318 -0.667 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.131 -0.058 -6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.421 1.652 -7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.910 2.277 -8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.401 1.684 -10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.402 0.325 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.349 3.074 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.441 2.619 -10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.477 2.074 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.719 0.653 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.631 1.094 -8.561 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.631 -0.064 -5.735 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.015 0.353 -4.481 1.00 0.00 C ATOM 1225 C ILE A 75 -1.514 0.569 -4.651 1.00 0.00 C ATOM 1226 O ILE A 75 -0.914 1.395 -3.964 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.253 -0.682 -3.364 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.743 -1.013 -3.253 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.720 -0.165 -2.037 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -5.015 -2.399 -2.712 1.00 0.00 C ATOM 0 H ILE A 75 -3.972 -1.025 -5.739 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.484 1.295 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.715 -1.595 -3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.223 -0.279 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.202 -0.919 -4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.896 -0.908 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.650 0.023 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.231 0.762 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.091 -2.565 -2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.564 -3.142 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.586 -2.491 -1.714 1.00 0.00 H new ATOM 1242 N GLN A 76 -0.913 -0.180 -5.571 1.00 0.00 N ATOM 1243 CA GLN A 76 0.517 -0.069 -5.831 1.00 0.00 C ATOM 1244 C GLN A 76 0.884 1.350 -6.257 1.00 0.00 C ATOM 1245 O GLN A 76 1.887 1.905 -5.806 1.00 0.00 O ATOM 1246 CB GLN A 76 0.939 -1.068 -6.912 1.00 0.00 C ATOM 1247 CG GLN A 76 1.730 -2.249 -6.373 1.00 0.00 C ATOM 1248 CD GLN A 76 2.884 -2.639 -7.276 1.00 0.00 C ATOM 1249 OE1 GLN A 76 3.825 -1.870 -7.468 1.00 0.00 O ATOM 1250 NE2 GLN A 76 2.815 -3.841 -7.837 1.00 0.00 N ATOM 0 H GLN A 76 -1.394 -0.870 -6.148 1.00 0.00 H new ATOM 0 HA GLN A 76 1.049 -0.299 -4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.049 -1.439 -7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.540 -0.550 -7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.115 -2.002 -5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.064 -3.103 -6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.016 -4.446 -7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.561 -4.159 -8.455 1.00 0.00 H new ATOM 1259 N LYS A 77 0.064 1.932 -7.126 1.00 0.00 N ATOM 1260 CA LYS A 77 0.301 3.287 -7.611 1.00 0.00 C ATOM 1261 C LYS A 77 -0.106 4.319 -6.564 1.00 0.00 C ATOM 1262 O LYS A 77 0.475 5.400 -6.486 1.00 0.00 O ATOM 1263 CB LYS A 77 -0.471 3.528 -8.910 1.00 0.00 C ATOM 1264 CG LYS A 77 0.265 3.051 -10.152 1.00 0.00 C ATOM 1265 CD LYS A 77 -0.703 2.672 -11.261 1.00 0.00 C ATOM 1266 CE LYS A 77 -0.076 2.854 -12.633 1.00 0.00 C ATOM 1267 NZ LYS A 77 1.138 2.009 -12.806 1.00 0.00 N ATOM 0 H LYS A 77 -0.770 1.487 -7.509 1.00 0.00 H new ATOM 0 HA LYS A 77 1.368 3.396 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.434 3.020 -8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.678 4.594 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.934 3.836 -10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.887 2.192 -9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.013 1.634 -11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.602 3.284 -11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.806 2.602 -13.402 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.188 3.902 -12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.477 2.085 -13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.882 2.334 -12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.904 1.018 -12.596 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.107 3.975 -5.760 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.593 4.871 -4.717 1.00 0.00 C ATOM 1283 C GLU A 78 -0.482 5.210 -3.728 1.00 0.00 C ATOM 1284 O GLU A 78 -0.483 6.282 -3.124 1.00 0.00 O ATOM 1285 CB GLU A 78 -2.773 4.235 -3.979 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.090 4.342 -4.729 1.00 0.00 C ATOM 1287 CD GLU A 78 -4.715 5.718 -4.616 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -3.976 6.718 -4.743 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -5.943 5.797 -4.400 1.00 0.00 O ATOM 0 H GLU A 78 -1.597 3.082 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.925 5.794 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.553 3.183 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.880 4.711 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.925 4.107 -5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.786 3.598 -4.342 1.00 0.00 H new ATOM 1296 N LEU A 79 0.463 4.289 -3.567 1.00 0.00 N ATOM 1297 CA LEU A 79 1.579 4.491 -2.650 1.00 0.00 C ATOM 1298 C LEU A 79 2.363 5.750 -3.012 1.00 0.00 C ATOM 1299 O LEU A 79 2.910 6.425 -2.141 1.00 0.00 O ATOM 1300 CB LEU A 79 2.508 3.275 -2.669 1.00 0.00 C ATOM 1301 CG LEU A 79 3.747 3.393 -1.779 1.00 0.00 C ATOM 1302 CD1 LEU A 79 3.414 3.007 -0.346 1.00 0.00 C ATOM 1303 CD2 LEU A 79 4.874 2.524 -2.319 1.00 0.00 C ATOM 0 H LEU A 79 0.478 3.396 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 79 1.173 4.615 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.940 2.398 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.832 3.100 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 79 4.079 4.431 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.307 3.097 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.638 3.669 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.057 1.977 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.748 2.619 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.552 1.483 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.131 2.846 -3.328 1.00 0.00 H new ATOM 1315 N GLU A 80 2.411 6.059 -4.304 1.00 0.00 N ATOM 1316 CA GLU A 80 3.127 7.236 -4.781 1.00 0.00 C ATOM 1317 C GLU A 80 2.540 8.509 -4.182 1.00 0.00 C ATOM 1318 O GLU A 80 3.252 9.489 -3.959 1.00 0.00 O ATOM 1319 CB GLU A 80 3.076 7.306 -6.309 1.00 0.00 C ATOM 1320 CG GLU A 80 4.179 6.513 -6.991 1.00 0.00 C ATOM 1321 CD GLU A 80 3.813 6.102 -8.404 1.00 0.00 C ATOM 1322 OE1 GLU A 80 4.046 6.902 -9.334 1.00 0.00 O ATOM 1323 OE2 GLU A 80 3.291 4.981 -8.580 1.00 0.00 O ATOM 0 H GLU A 80 1.963 5.511 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 80 4.166 7.152 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.109 6.935 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.144 8.349 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.090 7.111 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.398 5.622 -6.403 1.00 0.00 H new ATOM 1330 N GLU A 81 1.236 8.489 -3.925 1.00 0.00 N ATOM 1331 CA GLU A 81 0.552 9.643 -3.352 1.00 0.00 C ATOM 1332 C GLU A 81 0.962 9.850 -1.897 1.00 0.00 C ATOM 1333 O GLU A 81 0.995 10.980 -1.406 1.00 0.00 O ATOM 1334 CB GLU A 81 -0.964 9.462 -3.446 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.551 9.928 -4.768 1.00 0.00 C ATOM 1336 CD GLU A 81 -2.959 10.473 -4.621 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -3.910 9.664 -4.613 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -3.109 11.708 -4.514 1.00 0.00 O ATOM 0 H GLU A 81 0.632 7.687 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 81 0.841 10.526 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.206 8.409 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.438 10.012 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.910 10.699 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.559 9.095 -5.471 1.00 0.00 H new ATOM 1345 N LYS A 82 1.271 8.756 -1.212 1.00 0.00 N ATOM 1346 CA LYS A 82 1.679 8.818 0.187 1.00 0.00 C ATOM 1347 C LYS A 82 2.983 9.594 0.340 1.00 0.00 C ATOM 1348 O LYS A 82 3.212 10.248 1.357 1.00 0.00 O ATOM 1349 CB LYS A 82 1.842 7.407 0.756 1.00 0.00 C ATOM 1350 CG LYS A 82 0.527 6.665 0.928 1.00 0.00 C ATOM 1351 CD LYS A 82 -0.317 7.274 2.035 1.00 0.00 C ATOM 1352 CE LYS A 82 -1.796 7.253 1.685 1.00 0.00 C ATOM 1353 NZ LYS A 82 -2.064 7.892 0.367 1.00 0.00 N ATOM 0 H LYS A 82 1.247 7.814 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 82 0.900 9.339 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.491 6.831 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.343 7.469 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.029 6.687 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.726 5.618 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.154 6.725 2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.001 8.301 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.150 6.222 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.360 7.771 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.865 8.549 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.220 8.415 0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.294 7.159 -0.334 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.888 3.755 7.475 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.705 3.050 7.957 1.00 0.00 C ATOM 1548 C GLU B 94 -5.827 2.599 6.794 1.00 0.00 C ATOM 1549 O GLU B 94 -4.610 2.477 6.934 1.00 0.00 O ATOM 1550 CB GLU B 94 -7.114 1.842 8.801 1.00 0.00 C ATOM 1551 CG GLU B 94 -6.160 1.549 9.948 1.00 0.00 C ATOM 1552 CD GLU B 94 -6.694 2.021 11.285 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -7.366 3.074 11.318 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -6.441 1.339 12.300 1.00 0.00 O ATOM 0 HA GLU B 94 -6.130 3.739 8.576 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -8.112 2.013 9.204 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -7.176 0.964 8.158 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -5.972 0.476 9.994 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -5.203 2.032 9.752 1.00 0.00 H new ATOM 1561 N LEU B 95 -6.451 2.353 5.645 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.722 1.917 4.459 1.00 0.00 C ATOM 1563 C LEU B 95 -4.613 2.904 4.110 1.00 0.00 C ATOM 1564 O LEU B 95 -3.538 2.512 3.656 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.679 1.769 3.273 1.00 0.00 C ATOM 1566 CG LEU B 95 -6.018 1.367 1.954 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -7.010 0.638 1.061 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -5.460 2.591 1.245 1.00 0.00 C ATOM 0 H LEU B 95 -7.458 2.448 5.511 1.00 0.00 H new ATOM 0 HA LEU B 95 -5.269 0.950 4.676 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.434 1.024 3.525 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.201 2.715 3.127 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.192 0.690 2.174 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.522 0.360 0.127 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.364 -0.260 1.567 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.856 1.291 0.848 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.993 2.287 0.308 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.269 3.291 1.037 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.717 3.073 1.881 1.00 0.00 H new ATOM 1580 N SER B 96 -4.881 4.187 4.331 1.00 0.00 N ATOM 1581 CA SER B 96 -3.906 5.233 4.045 1.00 0.00 C ATOM 1582 C SER B 96 -2.847 5.301 5.140 1.00 0.00 C ATOM 1583 O SER B 96 -1.693 5.640 4.881 1.00 0.00 O ATOM 1584 CB SER B 96 -4.604 6.588 3.908 1.00 0.00 C ATOM 1585 OG SER B 96 -5.279 6.936 5.105 1.00 0.00 O ATOM 0 H SER B 96 -5.766 4.527 4.707 1.00 0.00 H new ATOM 0 HA SER B 96 -3.415 4.990 3.103 1.00 0.00 H new ATOM 0 HB2 SER B 96 -3.870 7.356 3.664 1.00 0.00 H new ATOM 0 HB3 SER B 96 -5.315 6.553 3.083 1.00 0.00 H new ATOM 0 HG SER B 96 -5.716 7.806 4.993 1.00 0.00 H new ATOM 1591 N ASP B 97 -3.249 4.978 6.366 1.00 0.00 N ATOM 1592 CA ASP B 97 -2.334 5.002 7.501 1.00 0.00 C ATOM 1593 C ASP B 97 -1.291 3.896 7.384 1.00 0.00 C ATOM 1594 O ASP B 97 -0.139 4.069 7.783 1.00 0.00 O ATOM 1595 CB ASP B 97 -3.110 4.852 8.811 1.00 0.00 C ATOM 1596 CG ASP B 97 -3.524 6.187 9.395 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -4.544 6.744 8.937 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -2.829 6.677 10.310 1.00 0.00 O ATOM 0 H ASP B 97 -4.202 4.697 6.598 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.819 5.962 7.500 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.998 4.244 8.636 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -2.495 4.317 9.535 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.703 2.758 6.833 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.803 1.622 6.664 1.00 0.00 C ATOM 1605 C LEU B 98 0.154 1.855 5.500 1.00 0.00 C ATOM 1606 O LEU B 98 1.290 1.383 5.514 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.605 0.340 6.431 1.00 0.00 C ATOM 1608 CG LEU B 98 -2.488 -0.093 7.603 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.533 -1.097 7.142 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.637 -0.681 8.720 1.00 0.00 C ATOM 0 H LEU B 98 -2.653 2.598 6.497 1.00 0.00 H new ATOM 0 HA LEU B 98 -0.217 1.515 7.577 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -2.235 0.478 5.553 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.911 -0.468 6.201 1.00 0.00 H new ATOM 0 HG LEU B 98 -3.005 0.786 7.989 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -4.151 -1.393 7.989 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -4.161 -0.643 6.376 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.037 -1.976 6.730 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -2.280 -0.984 9.546 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -1.094 -1.549 8.345 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.927 0.068 9.069 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.314 2.585 4.493 1.00 0.00 N ATOM 1623 CA LEU B 99 0.501 2.880 3.319 1.00 0.00 C ATOM 1624 C LEU B 99 1.545 3.946 3.636 1.00 0.00 C ATOM 1625 O LEU B 99 2.640 3.942 3.074 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.385 3.345 2.162 1.00 0.00 C ATOM 1627 CG LEU B 99 0.119 2.967 0.769 1.00 0.00 C ATOM 1628 CD1 LEU B 99 0.076 1.459 0.578 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -0.704 3.665 -0.303 1.00 0.00 C ATOM 0 H LEU B 99 -1.253 2.983 4.466 1.00 0.00 H new ATOM 0 HA LEU B 99 1.018 1.966 3.027 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.382 2.926 2.297 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.485 4.429 2.214 1.00 0.00 H new ATOM 0 HG LEU B 99 1.154 3.296 0.676 1.00 0.00 H new ATOM 0 HD11 LEU B 99 0.438 1.208 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.708 0.979 1.325 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -0.949 1.107 0.691 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.331 3.384 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -1.748 3.367 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.623 4.745 -0.178 1.00 0.00 H new ATOM 1641 N ASP B 100 1.199 4.857 4.539 1.00 0.00 N ATOM 1642 CA ASP B 100 2.108 5.929 4.930 1.00 0.00 C ATOM 1643 C ASP B 100 3.386 5.365 5.540 1.00 0.00 C ATOM 1644 O ASP B 100 4.466 5.936 5.383 1.00 0.00 O ATOM 1645 CB ASP B 100 1.423 6.866 5.928 1.00 0.00 C ATOM 1646 CG ASP B 100 1.969 8.280 5.859 1.00 0.00 C ATOM 1647 OD1 ASP B 100 3.123 8.450 5.415 1.00 0.00 O ATOM 1648 OD2 ASP B 100 1.241 9.216 6.251 1.00 0.00 O ATOM 0 H ASP B 100 0.296 4.875 5.014 1.00 0.00 H new ATOM 0 HA ASP B 100 2.373 6.492 4.035 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.351 6.883 5.730 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.555 6.477 6.938 1.00 0.00 H new ATOM 1653 N PHE B 101 3.257 4.239 6.236 1.00 0.00 N ATOM 1654 CA PHE B 101 4.403 3.598 6.870 1.00 0.00 C ATOM 1655 C PHE B 101 5.449 3.202 5.831 1.00 0.00 C ATOM 1656 O PHE B 101 6.649 3.354 6.056 1.00 0.00 O ATOM 1657 CB PHE B 101 3.953 2.363 7.653 1.00 0.00 C ATOM 1658 CG PHE B 101 5.058 1.714 8.437 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.786 2.439 9.366 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.370 0.377 8.243 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.802 1.844 10.088 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.386 -0.223 8.962 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.103 0.511 9.886 1.00 0.00 C ATOM 0 H PHE B 101 2.371 3.753 6.375 1.00 0.00 H new ATOM 0 HA PHE B 101 4.853 4.313 7.558 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.153 2.648 8.336 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.535 1.635 6.958 1.00 0.00 H new ATOM 0 HD1 PHE B 101 5.556 3.482 9.528 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.813 -0.202 7.522 1.00 0.00 H new ATOM 0 HE1 PHE B 101 7.361 2.421 10.810 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.619 -1.265 8.801 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.897 0.044 10.449 1.00 0.00 H new ATOM 1673 N SER B 102 4.984 2.696 4.693 1.00 0.00 N ATOM 1674 CA SER B 102 5.879 2.279 3.621 1.00 0.00 C ATOM 1675 C SER B 102 6.475 3.489 2.909 1.00 0.00 C ATOM 1676 O SER B 102 7.605 3.442 2.424 1.00 0.00 O ATOM 1677 CB SER B 102 5.132 1.399 2.618 1.00 0.00 C ATOM 1678 OG SER B 102 5.251 0.028 2.953 1.00 0.00 O ATOM 0 H SER B 102 3.993 2.565 4.490 1.00 0.00 H new ATOM 0 HA SER B 102 6.692 1.703 4.063 1.00 0.00 H new ATOM 0 HB2 SER B 102 4.079 1.681 2.596 1.00 0.00 H new ATOM 0 HB3 SER B 102 5.528 1.567 1.617 1.00 0.00 H new ATOM 0 HG SER B 102 5.464 -0.059 3.906 1.00 0.00 H new ATOM 1684 N ALA B 103 5.706 4.572 2.849 1.00 0.00 N ATOM 1685 CA ALA B 103 6.158 5.794 2.196 1.00 0.00 C ATOM 1686 C ALA B 103 7.218 6.504 3.032 1.00 0.00 C ATOM 1687 O ALA B 103 8.169 7.071 2.495 1.00 0.00 O ATOM 1688 CB ALA B 103 4.979 6.720 1.938 1.00 0.00 C ATOM 0 H ALA B 103 4.768 4.627 3.245 1.00 0.00 H new ATOM 0 HA ALA B 103 6.609 5.522 1.242 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.330 7.629 1.450 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.257 6.218 1.294 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.504 6.977 2.885 1.00 0.00 H new ATOM 1694 N MET B 104 7.047 6.468 4.350 1.00 0.00 N ATOM 1695 CA MET B 104 7.989 7.107 5.260 1.00 0.00 C ATOM 1696 C MET B 104 9.247 6.260 5.426 1.00 0.00 C ATOM 1697 O MET B 104 10.364 6.777 5.399 1.00 0.00 O ATOM 1698 CB MET B 104 7.335 7.342 6.623 1.00 0.00 C ATOM 1699 CG MET B 104 8.078 8.343 7.492 1.00 0.00 C ATOM 1700 SD MET B 104 7.269 8.623 9.077 1.00 0.00 S ATOM 1701 CE MET B 104 8.584 9.422 9.993 1.00 0.00 C ATOM 0 H MET B 104 6.265 6.003 4.811 1.00 0.00 H new ATOM 0 HA MET B 104 8.274 8.068 4.831 1.00 0.00 H new ATOM 0 HB2 MET B 104 6.314 7.693 6.471 1.00 0.00 H new ATOM 0 HB3 MET B 104 7.269 6.392 7.153 1.00 0.00 H new ATOM 0 HG2 MET B 104 9.093 7.985 7.665 1.00 0.00 H new ATOM 0 HG3 MET B 104 8.161 9.290 6.959 1.00 0.00 H new ATOM 0 HE1 MET B 104 8.235 9.658 10.998 1.00 0.00 H new ATOM 0 HE2 MET B 104 9.443 8.754 10.054 1.00 0.00 H new ATOM 0 HE3 MET B 104 8.875 10.341 9.484 1.00 0.00 H new