USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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 53 GLN : amide:sc= -4.11! C(o=-5.6!,f=-13!) USER MOD Set 1.2: A 61 TYR OH : rot -130:sc= -1.46! USER MOD Set 2.1: A 49 GLN : amide:sc= -1.08 K(o=-1.3,f=1) USER MOD Set 2.2: A 63 LYS NZ :NH3+ -132:sc= -0.205 (180deg=-0.0848) USER MOD Set 3.1: A 36 THR OG1 : rot -172:sc= 0.902 USER MOD Set 3.2: A 40 TYR OH : rot -120:sc= -5.18! USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.06! USER MOD Single : A 22 GLN : amide:sc= -7.39! C(o=-7.4!,f=-8.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= -0.167 (180deg=-1.13) USER MOD Single : A 31 GLN : amide:sc= -2.1 K(o=-2.1,f=-0.079) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -4.88! C(o=-4.9!,f=-2.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 142:sc= -1.08 (180deg=-2.56!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00942 USER MOD Single : A 58 THR OG1 : rot -35:sc= 0.0463 USER MOD Single : A 59 ASN : amide:sc= -2.26 K(o=-2.3,f=-9.3!) USER MOD Single : A 60 TYR OH : rot 130:sc= -7.4! USER MOD Single : A 92 ASN : amide:sc= -0.323 K(o=-0.32,f=-3.6!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0.00311 USER MOD Single : A 95 MET CE :methyl 160:sc= -7.86! (180deg=-10.6!) USER MOD Single : A 96 HIS : no HD1:sc= -17.7! C(o=-18!,f=-19!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -25:sc= 0.0136 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105AASN : amide:sc= -0.817 K(o=-0.82,f=-3.2!) USER MOD Single : A 111 THR OG1 : rot 169:sc= -5.49! USER MOD Single : A 113 TYR OH : rot 88:sc= 1.28 USER MOD Single : A 114 GLN : amide:sc= -1.35 K(o=-1.3,f=-3.6!) USER MOD Single : A 116 LYS NZ :NH3+ -158:sc= 0.0772 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.655 K(o=-0.66,f=-0.039) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.512! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 -22.619 1.246 11.310 1.00 0.00 N ATOM 2 CA MET A 6 -22.149 0.901 12.681 1.00 0.00 C ATOM 3 C MET A 6 -20.630 0.735 12.672 1.00 0.00 C ATOM 4 O MET A 6 -20.099 -0.251 13.143 1.00 0.00 O ATOM 5 CB MET A 6 -22.803 -0.406 13.134 1.00 0.00 C ATOM 6 CG MET A 6 -24.278 -0.409 12.726 1.00 0.00 C ATOM 7 SD MET A 6 -24.954 -2.078 12.917 1.00 0.00 S ATOM 8 CE MET A 6 -24.729 -2.616 11.203 1.00 0.00 C ATOM 0 HA MET A 6 -22.423 1.700 13.370 1.00 0.00 H new ATOM 0 HB2 MET A 6 -22.289 -1.256 12.685 1.00 0.00 H new ATOM 0 HB3 MET A 6 -22.714 -0.514 14.215 1.00 0.00 H new ATOM 0 HG2 MET A 6 -24.838 0.294 13.342 1.00 0.00 H new ATOM 0 HG3 MET A 6 -24.381 -0.080 11.692 1.00 0.00 H new ATOM 0 HE1 MET A 6 -25.087 -3.640 11.093 1.00 0.00 H new ATOM 0 HE2 MET A 6 -25.293 -1.961 10.539 1.00 0.00 H new ATOM 0 HE3 MET A 6 -23.671 -2.572 10.944 1.00 0.00 H new ATOM 20 N ILE A 7 -19.923 1.693 12.139 1.00 0.00 N ATOM 21 CA ILE A 7 -18.435 1.590 12.102 1.00 0.00 C ATOM 22 C ILE A 7 -17.829 2.868 12.699 1.00 0.00 C ATOM 23 O ILE A 7 -18.227 3.960 12.346 1.00 0.00 O ATOM 24 CB ILE A 7 -17.944 1.430 10.653 1.00 0.00 C ATOM 25 CG1 ILE A 7 -19.132 1.247 9.700 1.00 0.00 C ATOM 26 CG2 ILE A 7 -17.030 0.207 10.558 1.00 0.00 C ATOM 27 CD1 ILE A 7 -19.812 -0.095 9.976 1.00 0.00 C ATOM 0 H ILE A 7 -20.310 2.542 11.728 1.00 0.00 H new ATOM 0 HA ILE A 7 -18.125 0.719 12.679 1.00 0.00 H new ATOM 0 HB ILE A 7 -17.397 2.329 10.368 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -19.845 2.061 9.832 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.790 1.287 8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -16.681 0.092 9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -16.174 0.340 11.219 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -17.583 -0.684 10.855 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -20.655 -0.222 9.297 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -19.097 -0.903 9.822 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -20.168 -0.117 11.006 1.00 0.00 H new ATOM 39 N PRO A 8 -16.883 2.695 13.592 1.00 0.00 N ATOM 40 CA PRO A 8 -16.207 3.825 14.255 1.00 0.00 C ATOM 41 C PRO A 8 -15.145 4.432 13.331 1.00 0.00 C ATOM 42 O PRO A 8 -14.777 5.582 13.464 1.00 0.00 O ATOM 43 CB PRO A 8 -15.554 3.181 15.482 1.00 0.00 C ATOM 44 CG PRO A 8 -15.404 1.676 15.156 1.00 0.00 C ATOM 45 CD PRO A 8 -16.403 1.368 14.024 1.00 0.00 C ATOM 0 HA PRO A 8 -16.886 4.638 14.513 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.584 3.633 15.688 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.168 3.327 16.371 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.385 1.447 14.846 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.615 1.067 16.035 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.923 0.832 13.205 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.224 0.743 14.376 1.00 0.00 H new ATOM 53 N GLY A 9 -14.649 3.664 12.397 1.00 0.00 N ATOM 54 CA GLY A 9 -13.610 4.194 11.469 1.00 0.00 C ATOM 55 C GLY A 9 -12.223 3.845 12.014 1.00 0.00 C ATOM 56 O GLY A 9 -11.784 4.389 13.007 1.00 0.00 O ATOM 0 H GLY A 9 -14.919 2.693 12.238 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.741 3.767 10.475 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.713 5.274 11.368 1.00 0.00 H new ATOM 60 N GLY A 10 -11.529 2.939 11.378 1.00 0.00 N ATOM 61 CA GLY A 10 -10.173 2.563 11.874 1.00 0.00 C ATOM 62 C GLY A 10 -9.599 1.433 11.015 1.00 0.00 C ATOM 63 O GLY A 10 -10.116 1.117 9.961 1.00 0.00 O ATOM 0 H GLY A 10 -11.840 2.446 10.541 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.511 3.429 11.841 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.232 2.246 12.915 1.00 0.00 H new ATOM 67 N LEU A 11 -8.532 0.823 11.456 1.00 0.00 N ATOM 68 CA LEU A 11 -7.926 -0.283 10.663 1.00 0.00 C ATOM 69 C LEU A 11 -7.631 -1.473 11.585 1.00 0.00 C ATOM 70 O LEU A 11 -7.488 -1.321 12.782 1.00 0.00 O ATOM 71 CB LEU A 11 -6.637 0.213 10.008 1.00 0.00 C ATOM 72 CG LEU A 11 -5.637 0.623 11.086 1.00 0.00 C ATOM 73 CD1 LEU A 11 -4.224 0.456 10.539 1.00 0.00 C ATOM 74 CD2 LEU A 11 -5.855 2.089 11.472 1.00 0.00 C ATOM 0 H LEU A 11 -8.055 1.043 12.330 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.619 -0.604 9.886 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.211 -0.571 9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.851 1.060 9.356 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.777 -0.004 11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.502 0.747 11.302 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.061 -0.586 10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.097 1.088 9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.137 2.373 12.242 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.716 2.721 10.595 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.867 2.218 11.855 1.00 0.00 H new ATOM 86 N SER A 12 -7.561 -2.658 11.038 1.00 0.00 N ATOM 87 CA SER A 12 -7.299 -3.864 11.883 1.00 0.00 C ATOM 88 C SER A 12 -5.833 -4.296 11.772 1.00 0.00 C ATOM 89 O SER A 12 -5.031 -3.664 11.114 1.00 0.00 O ATOM 90 CB SER A 12 -8.198 -5.010 11.416 1.00 0.00 C ATOM 91 OG SER A 12 -8.486 -5.859 12.519 1.00 0.00 O ATOM 0 H SER A 12 -7.674 -2.845 10.042 1.00 0.00 H new ATOM 0 HA SER A 12 -7.513 -3.616 12.923 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.123 -4.614 10.995 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.705 -5.576 10.626 1.00 0.00 H new ATOM 0 HG SER A 12 -9.063 -6.594 12.224 1.00 0.00 H new ATOM 97 N GLU A 13 -5.485 -5.377 12.422 1.00 0.00 N ATOM 98 CA GLU A 13 -4.087 -5.880 12.380 1.00 0.00 C ATOM 99 C GLU A 13 -3.599 -5.966 10.932 1.00 0.00 C ATOM 100 O GLU A 13 -4.283 -5.568 10.010 1.00 0.00 O ATOM 101 CB GLU A 13 -4.037 -7.271 13.015 1.00 0.00 C ATOM 102 CG GLU A 13 -2.771 -7.403 13.862 1.00 0.00 C ATOM 103 CD GLU A 13 -2.100 -8.746 13.571 1.00 0.00 C ATOM 104 OE1 GLU A 13 -2.149 -9.175 12.430 1.00 0.00 O ATOM 105 OE2 GLU A 13 -1.549 -9.324 14.493 1.00 0.00 O ATOM 0 H GLU A 13 -6.123 -5.938 12.987 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.443 -5.194 12.930 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.919 -7.431 13.635 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.049 -8.037 12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.085 -6.586 13.639 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.020 -7.331 14.921 1.00 0.00 H new ATOM 112 N ALA A 14 -2.415 -6.481 10.725 1.00 0.00 N ATOM 113 CA ALA A 14 -1.889 -6.586 9.333 1.00 0.00 C ATOM 114 C ALA A 14 -2.275 -7.911 8.707 1.00 0.00 C ATOM 115 O ALA A 14 -1.692 -8.935 9.003 1.00 0.00 O ATOM 116 CB ALA A 14 -0.362 -6.532 9.318 1.00 0.00 C ATOM 0 H ALA A 14 -1.794 -6.831 11.454 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.315 -5.750 8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.005 -6.611 8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.027 -5.588 9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.037 -7.359 9.905 1.00 0.00 H new ATOM 122 N LYS A 15 -3.179 -7.902 7.782 1.00 0.00 N ATOM 123 CA LYS A 15 -3.484 -9.169 7.091 1.00 0.00 C ATOM 124 C LYS A 15 -2.275 -9.383 6.198 1.00 0.00 C ATOM 125 O LYS A 15 -1.749 -8.427 5.677 1.00 0.00 O ATOM 126 CB LYS A 15 -4.759 -9.026 6.256 1.00 0.00 C ATOM 127 CG LYS A 15 -5.973 -8.934 7.184 1.00 0.00 C ATOM 128 CD LYS A 15 -6.139 -10.250 7.948 1.00 0.00 C ATOM 129 CE LYS A 15 -5.633 -10.077 9.382 1.00 0.00 C ATOM 130 NZ LYS A 15 -6.163 -11.180 10.234 1.00 0.00 N ATOM 0 H LYS A 15 -3.712 -7.087 7.478 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.659 -10.001 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.698 -8.135 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.865 -9.879 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.845 -8.109 7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.871 -8.723 6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.187 -10.549 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.584 -11.045 7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.543 -10.083 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.952 -9.113 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.819 -11.062 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.203 -11.154 10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.838 -12.094 9.860 1.00 0.00 H new ATOM 144 N PRO A 16 -1.819 -10.582 6.057 1.00 0.00 N ATOM 145 CA PRO A 16 -0.624 -10.817 5.249 1.00 0.00 C ATOM 146 C PRO A 16 -0.929 -10.496 3.781 1.00 0.00 C ATOM 147 O PRO A 16 -1.944 -10.896 3.244 1.00 0.00 O ATOM 148 CB PRO A 16 -0.301 -12.294 5.498 1.00 0.00 C ATOM 149 CG PRO A 16 -1.613 -12.940 6.006 1.00 0.00 C ATOM 150 CD PRO A 16 -2.439 -11.793 6.625 1.00 0.00 C ATOM 0 HA PRO A 16 0.229 -10.188 5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.043 -12.777 4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.496 -12.400 6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.156 -13.415 5.189 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.406 -13.715 6.744 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.493 -11.868 6.359 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.384 -11.800 7.714 1.00 0.00 H new ATOM 158 N ALA A 17 -0.082 -9.731 3.141 1.00 0.00 N ATOM 159 CA ALA A 17 -0.353 -9.338 1.731 1.00 0.00 C ATOM 160 C ALA A 17 -0.744 -10.538 0.873 1.00 0.00 C ATOM 161 O ALA A 17 -0.566 -11.683 1.236 1.00 0.00 O ATOM 162 CB ALA A 17 0.875 -8.670 1.118 1.00 0.00 C ATOM 0 H ALA A 17 0.784 -9.363 3.536 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.188 -8.638 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.660 -8.389 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.129 -7.779 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.715 -9.365 1.137 1.00 0.00 H new ATOM 168 N THR A 18 -1.270 -10.245 -0.278 1.00 0.00 N ATOM 169 CA THR A 18 -1.696 -11.291 -1.240 1.00 0.00 C ATOM 170 C THR A 18 -1.429 -10.715 -2.631 1.00 0.00 C ATOM 171 O THR A 18 -0.748 -9.719 -2.730 1.00 0.00 O ATOM 172 CB THR A 18 -3.193 -11.574 -1.043 1.00 0.00 C ATOM 173 OG1 THR A 18 -3.954 -10.764 -1.913 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.607 -11.244 0.377 1.00 0.00 C ATOM 0 H THR A 18 -1.427 -9.291 -0.602 1.00 0.00 H new ATOM 0 HA THR A 18 -1.160 -12.230 -1.101 1.00 0.00 H new ATOM 0 HB THR A 18 -3.368 -12.629 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.907 -10.951 -1.784 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.670 -11.449 0.503 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.034 -11.855 1.074 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.415 -10.190 0.576 1.00 0.00 H new ATOM 182 N PRO A 19 -1.958 -11.301 -3.675 1.00 0.00 N ATOM 183 CA PRO A 19 -1.742 -10.743 -5.012 1.00 0.00 C ATOM 184 C PRO A 19 -2.553 -9.450 -5.143 1.00 0.00 C ATOM 185 O PRO A 19 -2.283 -8.605 -5.976 1.00 0.00 O ATOM 186 CB PRO A 19 -2.223 -11.848 -5.959 1.00 0.00 C ATOM 187 CG PRO A 19 -3.169 -12.745 -5.132 1.00 0.00 C ATOM 188 CD PRO A 19 -2.798 -12.524 -3.652 1.00 0.00 C ATOM 0 HA PRO A 19 -0.709 -10.474 -5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.742 -11.425 -6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.381 -12.423 -6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.211 -12.482 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.051 -13.793 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.685 -12.388 -3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.253 -13.376 -3.245 1.00 0.00 H new ATOM 196 N GLU A 20 -3.524 -9.272 -4.284 1.00 0.00 N ATOM 197 CA GLU A 20 -4.334 -8.025 -4.332 1.00 0.00 C ATOM 198 C GLU A 20 -3.568 -6.925 -3.614 1.00 0.00 C ATOM 199 O GLU A 20 -3.434 -5.824 -4.105 1.00 0.00 O ATOM 200 CB GLU A 20 -5.681 -8.255 -3.643 1.00 0.00 C ATOM 201 CG GLU A 20 -6.818 -7.880 -4.596 1.00 0.00 C ATOM 202 CD GLU A 20 -8.153 -8.326 -3.995 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.131 -9.160 -3.105 1.00 0.00 O ATOM 204 OE2 GLU A 20 -9.175 -7.825 -4.435 1.00 0.00 O ATOM 0 H GLU A 20 -3.788 -9.935 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.516 -7.737 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.774 -9.299 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.743 -7.656 -2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.825 -6.803 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.666 -8.355 -5.565 1.00 0.00 H new ATOM 211 N ILE A 21 -3.039 -7.222 -2.465 1.00 0.00 N ATOM 212 CA ILE A 21 -2.249 -6.208 -1.725 1.00 0.00 C ATOM 213 C ILE A 21 -1.082 -5.804 -2.613 1.00 0.00 C ATOM 214 O ILE A 21 -0.865 -4.645 -2.909 1.00 0.00 O ATOM 215 CB ILE A 21 -1.736 -6.846 -0.433 1.00 0.00 C ATOM 216 CG1 ILE A 21 -2.889 -7.597 0.247 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.202 -5.764 0.509 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.186 -6.804 0.099 1.00 0.00 C ATOM 0 H ILE A 21 -3.121 -8.128 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.847 -5.332 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.929 -7.540 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.004 -8.585 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.663 -7.748 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.839 -6.227 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.385 -5.230 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.002 -5.063 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.000 -7.343 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.070 -5.826 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.415 -6.676 -0.959 1.00 0.00 H new ATOM 230 N GLN A 22 -0.356 -6.778 -3.061 1.00 0.00 N ATOM 231 CA GLN A 22 0.794 -6.508 -3.971 1.00 0.00 C ATOM 232 C GLN A 22 0.261 -5.830 -5.234 1.00 0.00 C ATOM 233 O GLN A 22 0.996 -5.200 -5.958 1.00 0.00 O ATOM 234 CB GLN A 22 1.492 -7.825 -4.334 1.00 0.00 C ATOM 235 CG GLN A 22 2.398 -7.628 -5.559 1.00 0.00 C ATOM 236 CD GLN A 22 3.673 -6.878 -5.155 1.00 0.00 C ATOM 237 OE1 GLN A 22 4.569 -7.458 -4.575 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.798 -5.604 -5.436 1.00 0.00 N ATOM 0 H GLN A 22 -0.506 -7.762 -2.837 1.00 0.00 H new ATOM 0 HA GLN A 22 1.518 -5.859 -3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.083 -8.176 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.748 -8.593 -4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.657 -8.595 -5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.866 -7.069 -6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.048 -5.113 -5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.645 -5.103 -5.168 1.00 0.00 H new ATOM 247 N GLU A 23 -1.013 -5.948 -5.507 1.00 0.00 N ATOM 248 CA GLU A 23 -1.568 -5.278 -6.718 1.00 0.00 C ATOM 249 C GLU A 23 -1.683 -3.775 -6.440 1.00 0.00 C ATOM 250 O GLU A 23 -1.327 -2.953 -7.256 1.00 0.00 O ATOM 251 CB GLU A 23 -2.949 -5.856 -7.043 1.00 0.00 C ATOM 252 CG GLU A 23 -3.438 -5.291 -8.378 1.00 0.00 C ATOM 253 CD GLU A 23 -4.928 -4.967 -8.280 1.00 0.00 C ATOM 254 OE1 GLU A 23 -5.305 -4.275 -7.349 1.00 0.00 O ATOM 255 OE2 GLU A 23 -5.670 -5.415 -9.140 1.00 0.00 O ATOM 0 H GLU A 23 -1.686 -6.474 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.909 -5.446 -7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.897 -6.944 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.655 -5.607 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.876 -4.393 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.264 -6.013 -9.176 1.00 0.00 H new ATOM 262 N ILE A 24 -2.152 -3.423 -5.275 1.00 0.00 N ATOM 263 CA ILE A 24 -2.274 -1.985 -4.887 1.00 0.00 C ATOM 264 C ILE A 24 -0.906 -1.337 -4.992 1.00 0.00 C ATOM 265 O ILE A 24 -0.726 -0.317 -5.627 1.00 0.00 O ATOM 266 CB ILE A 24 -2.752 -1.928 -3.436 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.237 -2.283 -3.374 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.540 -0.529 -2.871 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.456 -3.361 -2.312 1.00 0.00 C ATOM 0 H ILE A 24 -2.462 -4.082 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.977 -1.463 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.180 -2.642 -2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.825 -1.397 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.578 -2.639 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.884 -0.498 -1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.480 -0.278 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.105 0.192 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.515 -3.616 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.880 -4.249 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.130 -2.987 -1.341 1.00 0.00 H new ATOM 281 N VAL A 25 0.055 -1.933 -4.367 1.00 0.00 N ATOM 282 CA VAL A 25 1.425 -1.395 -4.402 1.00 0.00 C ATOM 283 C VAL A 25 1.960 -1.496 -5.812 1.00 0.00 C ATOM 284 O VAL A 25 2.619 -0.615 -6.312 1.00 0.00 O ATOM 285 CB VAL A 25 2.263 -2.261 -3.510 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.241 -3.654 -4.076 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.681 -1.761 -3.519 1.00 0.00 C ATOM 0 H VAL A 25 -0.055 -2.788 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 25 1.443 -0.354 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 25 1.878 -2.244 -2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.843 -4.311 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.214 -4.019 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.650 -3.643 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.292 -2.389 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.073 -1.798 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.707 -0.733 -3.157 1.00 0.00 H new ATOM 297 N ASP A 26 1.656 -2.576 -6.447 1.00 0.00 N ATOM 298 CA ASP A 26 2.105 -2.777 -7.845 1.00 0.00 C ATOM 299 C ASP A 26 1.349 -1.780 -8.707 1.00 0.00 C ATOM 300 O ASP A 26 1.681 -1.538 -9.851 1.00 0.00 O ATOM 301 CB ASP A 26 1.777 -4.203 -8.294 1.00 0.00 C ATOM 302 CG ASP A 26 2.179 -4.383 -9.758 1.00 0.00 C ATOM 303 OD1 ASP A 26 3.347 -4.629 -10.006 1.00 0.00 O ATOM 304 OD2 ASP A 26 1.310 -4.269 -10.609 1.00 0.00 O ATOM 0 H ASP A 26 1.108 -3.342 -6.056 1.00 0.00 H new ATOM 0 HA ASP A 26 3.181 -2.629 -7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.306 -4.923 -7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.712 -4.398 -8.172 1.00 0.00 H new ATOM 309 N LYS A 27 0.328 -1.193 -8.145 1.00 0.00 N ATOM 310 CA LYS A 27 -0.470 -0.193 -8.910 1.00 0.00 C ATOM 311 C LYS A 27 0.052 1.211 -8.602 1.00 0.00 C ATOM 312 O LYS A 27 -0.187 2.146 -9.340 1.00 0.00 O ATOM 313 CB LYS A 27 -1.949 -0.289 -8.511 1.00 0.00 C ATOM 314 CG LYS A 27 -2.791 -0.551 -9.761 1.00 0.00 C ATOM 315 CD LYS A 27 -4.063 0.298 -9.715 1.00 0.00 C ATOM 316 CE LYS A 27 -3.955 1.436 -10.733 1.00 0.00 C ATOM 317 NZ LYS A 27 -4.797 2.582 -10.288 1.00 0.00 N ATOM 0 H LYS A 27 0.012 -1.362 -7.190 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.375 -0.395 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.091 -1.091 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.269 0.635 -8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.215 -0.312 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.050 -1.608 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.933 -0.320 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.206 0.704 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.916 1.751 -10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.280 1.092 -11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.724 3.355 -10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.788 2.276 -10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.467 2.915 -9.360 1.00 0.00 H new ATOM 331 N VAL A 28 0.751 1.370 -7.511 1.00 0.00 N ATOM 332 CA VAL A 28 1.271 2.725 -7.154 1.00 0.00 C ATOM 333 C VAL A 28 2.808 2.780 -7.264 1.00 0.00 C ATOM 334 O VAL A 28 3.401 3.831 -7.128 1.00 0.00 O ATOM 335 CB VAL A 28 0.847 3.059 -5.728 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.676 3.201 -5.669 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.288 1.938 -4.796 1.00 0.00 C ATOM 0 H VAL A 28 0.985 0.626 -6.853 1.00 0.00 H new ATOM 0 HA VAL A 28 0.857 3.453 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 28 1.311 3.996 -5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.980 3.440 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.993 4.000 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.141 2.264 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.986 2.174 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.821 1.003 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.372 1.834 -4.839 1.00 0.00 H new ATOM 347 N LYS A 29 3.456 1.671 -7.518 1.00 0.00 N ATOM 348 CA LYS A 29 4.941 1.682 -7.648 1.00 0.00 C ATOM 349 C LYS A 29 5.393 2.874 -8.506 1.00 0.00 C ATOM 350 O LYS A 29 6.293 3.592 -8.118 1.00 0.00 O ATOM 351 CB LYS A 29 5.411 0.376 -8.299 1.00 0.00 C ATOM 352 CG LYS A 29 6.815 0.030 -7.798 1.00 0.00 C ATOM 353 CD LYS A 29 7.241 -1.328 -8.361 1.00 0.00 C ATOM 354 CE LYS A 29 8.478 -1.154 -9.244 1.00 0.00 C ATOM 355 NZ LYS A 29 8.208 -0.121 -10.283 1.00 0.00 N ATOM 0 H LYS A 29 3.018 0.758 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 29 5.380 1.775 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.719 -0.431 -8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.416 0.480 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.522 0.800 -8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.827 0.003 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.458 -2.019 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.427 -1.764 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.333 -0.858 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.736 -2.102 -9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.735 -0.353 -11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.190 -0.098 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.510 0.811 -9.933 1.00 0.00 H new ATOM 369 N PRO A 30 4.765 3.062 -9.649 1.00 0.00 N ATOM 370 CA PRO A 30 5.116 4.175 -10.550 1.00 0.00 C ATOM 371 C PRO A 30 4.631 5.502 -9.961 1.00 0.00 C ATOM 372 O PRO A 30 5.234 6.538 -10.158 1.00 0.00 O ATOM 373 CB PRO A 30 4.401 3.829 -11.859 1.00 0.00 C ATOM 374 CG PRO A 30 3.262 2.852 -11.489 1.00 0.00 C ATOM 375 CD PRO A 30 3.656 2.210 -10.145 1.00 0.00 C ATOM 0 HA PRO A 30 6.189 4.295 -10.698 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.004 4.726 -12.334 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.090 3.371 -12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.312 3.379 -11.404 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.137 2.092 -12.260 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.819 2.200 -9.447 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.975 1.176 -10.275 1.00 0.00 H new ATOM 383 N GLN A 31 3.566 5.471 -9.211 1.00 0.00 N ATOM 384 CA GLN A 31 3.070 6.725 -8.580 1.00 0.00 C ATOM 385 C GLN A 31 3.850 6.956 -7.283 1.00 0.00 C ATOM 386 O GLN A 31 3.634 7.922 -6.577 1.00 0.00 O ATOM 387 CB GLN A 31 1.579 6.586 -8.258 1.00 0.00 C ATOM 388 CG GLN A 31 0.768 6.606 -9.555 1.00 0.00 C ATOM 389 CD GLN A 31 -0.708 6.356 -9.238 1.00 0.00 C ATOM 390 OE1 GLN A 31 -1.578 6.999 -9.791 1.00 0.00 O ATOM 391 NE2 GLN A 31 -1.030 5.442 -8.363 1.00 0.00 N ATOM 0 H GLN A 31 3.019 4.634 -9.008 1.00 0.00 H new ATOM 0 HA GLN A 31 3.210 7.565 -9.260 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.399 5.656 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.260 7.399 -7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.886 7.567 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.138 5.843 -10.240 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.300 4.902 -7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.011 5.268 -8.144 1.00 0.00 H new ATOM 400 N LEU A 32 4.751 6.065 -6.959 1.00 0.00 N ATOM 401 CA LEU A 32 5.540 6.212 -5.707 1.00 0.00 C ATOM 402 C LEU A 32 6.927 6.783 -6.020 1.00 0.00 C ATOM 403 O LEU A 32 7.467 7.573 -5.272 1.00 0.00 O ATOM 404 CB LEU A 32 5.687 4.839 -5.056 1.00 0.00 C ATOM 405 CG LEU A 32 4.614 4.680 -3.983 1.00 0.00 C ATOM 406 CD1 LEU A 32 3.972 3.302 -4.103 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.247 4.833 -2.601 1.00 0.00 C ATOM 0 H LEU A 32 4.973 5.238 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 32 5.026 6.895 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.588 4.054 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.678 4.736 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 32 3.851 5.446 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.206 3.190 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.518 3.197 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.733 2.533 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.480 4.719 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.012 4.069 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.701 5.820 -2.516 1.00 0.00 H new ATOM 419 N GLU A 33 7.511 6.382 -7.116 1.00 0.00 N ATOM 420 CA GLU A 33 8.869 6.889 -7.473 1.00 0.00 C ATOM 421 C GLU A 33 8.787 8.353 -7.914 1.00 0.00 C ATOM 422 O GLU A 33 9.718 9.115 -7.736 1.00 0.00 O ATOM 423 CB GLU A 33 9.434 6.044 -8.616 1.00 0.00 C ATOM 424 CG GLU A 33 10.678 6.723 -9.195 1.00 0.00 C ATOM 425 CD GLU A 33 10.381 7.241 -10.604 1.00 0.00 C ATOM 426 OE1 GLU A 33 9.260 7.071 -11.055 1.00 0.00 O ATOM 427 OE2 GLU A 33 11.281 7.798 -11.210 1.00 0.00 O ATOM 0 H GLU A 33 7.106 5.724 -7.782 1.00 0.00 H new ATOM 0 HA GLU A 33 9.519 6.819 -6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.687 5.048 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.681 5.918 -9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.985 7.548 -8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.508 6.017 -9.225 1.00 0.00 H new ATOM 434 N GLU A 34 7.691 8.753 -8.497 1.00 0.00 N ATOM 435 CA GLU A 34 7.570 10.167 -8.954 1.00 0.00 C ATOM 436 C GLU A 34 7.062 11.043 -7.807 1.00 0.00 C ATOM 437 O GLU A 34 7.211 12.249 -7.825 1.00 0.00 O ATOM 438 CB GLU A 34 6.592 10.240 -10.129 1.00 0.00 C ATOM 439 CG GLU A 34 7.347 10.645 -11.397 1.00 0.00 C ATOM 440 CD GLU A 34 6.885 12.034 -11.842 1.00 0.00 C ATOM 441 OE1 GLU A 34 5.741 12.368 -11.584 1.00 0.00 O ATOM 442 OE2 GLU A 34 7.685 12.741 -12.434 1.00 0.00 O ATOM 0 H GLU A 34 6.877 8.165 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 34 8.548 10.528 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.108 9.274 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.804 10.962 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.421 10.650 -11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.166 9.918 -12.189 1.00 0.00 H new ATOM 449 N LYS A 35 6.461 10.451 -6.811 1.00 0.00 N ATOM 450 CA LYS A 35 5.944 11.260 -5.669 1.00 0.00 C ATOM 451 C LYS A 35 6.924 11.188 -4.495 1.00 0.00 C ATOM 452 O LYS A 35 6.640 11.658 -3.410 1.00 0.00 O ATOM 453 CB LYS A 35 4.583 10.712 -5.229 1.00 0.00 C ATOM 454 CG LYS A 35 3.538 11.830 -5.278 1.00 0.00 C ATOM 455 CD LYS A 35 2.812 11.909 -3.932 1.00 0.00 C ATOM 456 CE LYS A 35 1.305 11.755 -4.153 1.00 0.00 C ATOM 457 NZ LYS A 35 0.917 10.330 -3.951 1.00 0.00 N ATOM 0 H LYS A 35 6.306 9.446 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 35 5.837 12.298 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.283 9.891 -5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.652 10.309 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.019 12.783 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.823 11.639 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.174 11.126 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.024 12.863 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.758 12.394 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.039 12.076 -5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.107 10.224 -4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.430 9.731 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.157 10.039 -2.982 1.00 0.00 H new ATOM 471 N THR A 36 8.075 10.603 -4.693 1.00 0.00 N ATOM 472 CA THR A 36 9.058 10.508 -3.574 1.00 0.00 C ATOM 473 C THR A 36 10.466 10.864 -4.071 1.00 0.00 C ATOM 474 O THR A 36 11.256 11.409 -3.334 1.00 0.00 O ATOM 475 CB THR A 36 9.056 9.089 -3.009 1.00 0.00 C ATOM 476 OG1 THR A 36 9.821 9.058 -1.812 1.00 0.00 O ATOM 477 CG2 THR A 36 9.667 8.130 -4.027 1.00 0.00 C ATOM 0 H THR A 36 8.376 10.189 -5.575 1.00 0.00 H new ATOM 0 HA THR A 36 8.772 11.212 -2.792 1.00 0.00 H new ATOM 0 HB THR A 36 8.031 8.785 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.928 8.130 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.664 7.118 -3.621 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.082 8.154 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.692 8.432 -4.242 1.00 0.00 H new ATOM 485 N ASN A 37 10.770 10.559 -5.310 1.00 0.00 N ATOM 486 CA ASN A 37 12.118 10.873 -5.895 1.00 0.00 C ATOM 487 C ASN A 37 13.063 9.671 -5.722 1.00 0.00 C ATOM 488 O ASN A 37 14.266 9.800 -5.818 1.00 0.00 O ATOM 489 CB ASN A 37 12.720 12.147 -5.253 1.00 0.00 C ATOM 490 CG ASN A 37 13.783 11.803 -4.194 1.00 0.00 C ATOM 491 OD1 ASN A 37 13.480 11.637 -3.030 1.00 0.00 O ATOM 492 ND2 ASN A 37 15.032 11.700 -4.557 1.00 0.00 N ATOM 0 H ASN A 37 10.129 10.096 -5.955 1.00 0.00 H new ATOM 0 HA ASN A 37 11.995 11.068 -6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.167 12.769 -6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.925 12.733 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.748 11.481 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.292 11.838 -5.533 1.00 0.00 H new ATOM 499 N GLU A 38 12.531 8.504 -5.486 1.00 0.00 N ATOM 500 CA GLU A 38 13.408 7.308 -5.329 1.00 0.00 C ATOM 501 C GLU A 38 13.123 6.327 -6.467 1.00 0.00 C ATOM 502 O GLU A 38 12.073 6.363 -7.075 1.00 0.00 O ATOM 503 CB GLU A 38 13.132 6.632 -3.983 1.00 0.00 C ATOM 504 CG GLU A 38 14.274 6.939 -3.014 1.00 0.00 C ATOM 505 CD GLU A 38 14.869 5.627 -2.503 1.00 0.00 C ATOM 506 OE1 GLU A 38 15.189 4.786 -3.325 1.00 0.00 O ATOM 507 OE2 GLU A 38 14.992 5.485 -1.298 1.00 0.00 O ATOM 0 H GLU A 38 11.531 8.326 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 38 14.453 7.616 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.187 6.988 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.035 5.555 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.042 7.530 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.907 7.535 -2.178 1.00 0.00 H new ATOM 514 N THR A 39 14.048 5.459 -6.772 1.00 0.00 N ATOM 515 CA THR A 39 13.816 4.498 -7.886 1.00 0.00 C ATOM 516 C THR A 39 12.973 3.323 -7.404 1.00 0.00 C ATOM 517 O THR A 39 12.414 2.588 -8.192 1.00 0.00 O ATOM 518 CB THR A 39 15.161 3.990 -8.414 1.00 0.00 C ATOM 519 OG1 THR A 39 15.792 5.018 -9.166 1.00 0.00 O ATOM 520 CG2 THR A 39 14.939 2.769 -9.308 1.00 0.00 C ATOM 0 H THR A 39 14.949 5.374 -6.301 1.00 0.00 H new ATOM 0 HA THR A 39 13.280 5.007 -8.687 1.00 0.00 H new ATOM 0 HB THR A 39 15.795 3.709 -7.573 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.654 4.695 -9.503 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.899 2.412 -9.681 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.457 1.979 -8.732 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.303 3.045 -10.149 1.00 0.00 H new ATOM 528 N TYR A 40 12.859 3.164 -6.120 1.00 0.00 N ATOM 529 CA TYR A 40 12.042 2.056 -5.560 1.00 0.00 C ATOM 530 C TYR A 40 12.228 0.787 -6.399 1.00 0.00 C ATOM 531 O TYR A 40 13.141 0.679 -7.194 1.00 0.00 O ATOM 532 CB TYR A 40 10.583 2.490 -5.580 1.00 0.00 C ATOM 533 CG TYR A 40 10.311 3.498 -4.479 1.00 0.00 C ATOM 534 CD1 TYR A 40 11.336 3.920 -3.615 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.021 4.021 -4.331 1.00 0.00 C ATOM 536 CE1 TYR A 40 11.062 4.857 -2.613 1.00 0.00 C ATOM 537 CE2 TYR A 40 8.750 4.958 -3.329 1.00 0.00 C ATOM 538 CZ TYR A 40 9.769 5.377 -2.471 1.00 0.00 C ATOM 539 OH TYR A 40 9.499 6.304 -1.486 1.00 0.00 O ATOM 0 H TYR A 40 13.303 3.763 -5.424 1.00 0.00 H new ATOM 0 HA TYR A 40 12.355 1.835 -4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.341 2.927 -6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.938 1.621 -5.453 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.334 3.521 -3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.231 3.699 -4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.849 5.180 -1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.753 5.358 -3.219 1.00 0.00 H new ATOM 0 HH TYR A 40 8.811 5.951 -0.884 1.00 0.00 H new ATOM 549 N GLY A 43 11.378 -0.182 -6.219 1.00 0.00 N ATOM 550 CA GLY A 43 11.511 -1.447 -7.005 1.00 0.00 C ATOM 551 C GLY A 43 10.352 -2.394 -6.677 1.00 0.00 C ATOM 552 O GLY A 43 9.398 -2.016 -6.029 1.00 0.00 O ATOM 0 H GLY A 43 10.597 -0.157 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.517 -1.223 -8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.461 -1.929 -6.775 1.00 0.00 H new ATOM 556 N LYS A 44 10.434 -3.624 -7.119 1.00 0.00 N ATOM 557 CA LYS A 44 9.349 -4.604 -6.833 1.00 0.00 C ATOM 558 C LYS A 44 8.904 -4.438 -5.386 1.00 0.00 C ATOM 559 O LYS A 44 9.715 -4.317 -4.490 1.00 0.00 O ATOM 560 CB LYS A 44 9.879 -6.024 -7.037 1.00 0.00 C ATOM 561 CG LYS A 44 9.662 -6.448 -8.491 1.00 0.00 C ATOM 562 CD LYS A 44 10.998 -6.427 -9.236 1.00 0.00 C ATOM 563 CE LYS A 44 11.954 -7.440 -8.603 1.00 0.00 C ATOM 564 NZ LYS A 44 12.378 -8.435 -9.629 1.00 0.00 N ATOM 0 H LYS A 44 11.211 -3.991 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 44 8.508 -4.430 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.940 -6.066 -6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.367 -6.714 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.229 -7.448 -8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.954 -5.775 -8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.843 -6.666 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.432 -5.428 -9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.826 -6.928 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.465 -7.946 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.028 -9.123 -9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.542 -8.932 -9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.861 -7.945 -10.409 1.00 0.00 H new ATOM 578 N LEU A 45 7.628 -4.410 -5.144 1.00 0.00 N ATOM 579 CA LEU A 45 7.157 -4.227 -3.754 1.00 0.00 C ATOM 580 C LEU A 45 6.473 -5.504 -3.265 1.00 0.00 C ATOM 581 O LEU A 45 5.270 -5.643 -3.317 1.00 0.00 O ATOM 582 CB LEU A 45 6.215 -3.037 -3.748 1.00 0.00 C ATOM 583 CG LEU A 45 6.928 -1.910 -4.496 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.050 -0.650 -4.556 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.254 -1.622 -3.769 1.00 0.00 C ATOM 0 H LEU A 45 6.895 -4.506 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 45 7.986 -4.034 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.272 -3.287 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.978 -2.735 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 45 7.125 -2.211 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.579 0.137 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.119 -0.880 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.828 -0.313 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.784 -0.820 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.048 -1.321 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.870 -2.521 -3.767 1.00 0.00 H new ATOM 597 N GLU A 46 7.253 -6.441 -2.794 1.00 0.00 N ATOM 598 CA GLU A 46 6.676 -7.731 -2.305 1.00 0.00 C ATOM 599 C GLU A 46 5.811 -7.473 -1.074 1.00 0.00 C ATOM 600 O GLU A 46 6.261 -7.572 0.049 1.00 0.00 O ATOM 601 CB GLU A 46 7.810 -8.695 -1.951 1.00 0.00 C ATOM 602 CG GLU A 46 8.069 -9.624 -3.140 1.00 0.00 C ATOM 603 CD GLU A 46 9.493 -10.175 -3.064 1.00 0.00 C ATOM 604 OE1 GLU A 46 10.397 -9.393 -2.820 1.00 0.00 O ATOM 605 OE2 GLU A 46 9.655 -11.369 -3.254 1.00 0.00 O ATOM 0 H GLU A 46 8.268 -6.370 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 46 6.059 -8.173 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.714 -8.138 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.546 -9.278 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.351 -10.444 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.928 -9.082 -4.075 1.00 0.00 H new ATOM 612 N ALA A 47 4.571 -7.129 -1.277 1.00 0.00 N ATOM 613 CA ALA A 47 3.684 -6.839 -0.121 1.00 0.00 C ATOM 614 C ALA A 47 3.798 -7.935 0.929 1.00 0.00 C ATOM 615 O ALA A 47 3.469 -9.084 0.707 1.00 0.00 O ATOM 616 CB ALA A 47 2.243 -6.714 -0.597 1.00 0.00 C ATOM 0 H ALA A 47 4.134 -7.036 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 47 3.994 -5.897 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.596 -6.501 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.168 -5.903 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.932 -7.648 -1.065 1.00 0.00 H new ATOM 622 N VAL A 48 4.263 -7.557 2.080 1.00 0.00 N ATOM 623 CA VAL A 48 4.424 -8.508 3.204 1.00 0.00 C ATOM 624 C VAL A 48 3.144 -8.506 4.020 1.00 0.00 C ATOM 625 O VAL A 48 2.612 -9.538 4.375 1.00 0.00 O ATOM 626 CB VAL A 48 5.605 -8.023 4.055 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.323 -8.189 5.556 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.850 -8.816 3.680 1.00 0.00 C ATOM 0 H VAL A 48 4.546 -6.601 2.294 1.00 0.00 H new ATOM 0 HA VAL A 48 4.616 -9.521 2.852 1.00 0.00 H new ATOM 0 HB VAL A 48 5.758 -6.962 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.181 -7.836 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.441 -7.608 5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.147 -9.241 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.693 -8.476 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.676 -9.876 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.073 -8.665 2.624 1.00 0.00 H new ATOM 638 N GLN A 49 2.653 -7.346 4.320 1.00 0.00 N ATOM 639 CA GLN A 49 1.400 -7.264 5.114 1.00 0.00 C ATOM 640 C GLN A 49 0.642 -6.017 4.699 1.00 0.00 C ATOM 641 O GLN A 49 1.155 -5.182 3.987 1.00 0.00 O ATOM 642 CB GLN A 49 1.735 -7.199 6.603 1.00 0.00 C ATOM 643 CG GLN A 49 1.442 -8.557 7.250 1.00 0.00 C ATOM 644 CD GLN A 49 2.322 -8.735 8.489 1.00 0.00 C ATOM 645 OE1 GLN A 49 2.839 -9.808 8.733 1.00 0.00 O ATOM 646 NE2 GLN A 49 2.514 -7.722 9.286 1.00 0.00 N ATOM 0 H GLN A 49 3.061 -6.450 4.052 1.00 0.00 H new ATOM 0 HA GLN A 49 0.786 -8.146 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.784 -6.937 6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.146 -6.419 7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.390 -8.620 7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.633 -9.360 6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.080 -6.822 9.081 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.098 -7.829 10.115 1.00 0.00 H new ATOM 655 N TYR A 50 -0.581 -5.880 5.114 1.00 0.00 N ATOM 656 CA TYR A 50 -1.336 -4.683 4.713 1.00 0.00 C ATOM 657 C TYR A 50 -2.536 -4.468 5.619 1.00 0.00 C ATOM 658 O TYR A 50 -3.272 -5.381 5.938 1.00 0.00 O ATOM 659 CB TYR A 50 -1.805 -4.851 3.293 1.00 0.00 C ATOM 660 CG TYR A 50 -2.981 -5.798 3.232 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.808 -7.155 3.524 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.247 -5.310 2.888 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.903 -8.026 3.470 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.341 -6.180 2.834 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.171 -7.539 3.126 1.00 0.00 C ATOM 666 OH TYR A 50 -6.250 -8.396 3.073 1.00 0.00 O ATOM 0 H TYR A 50 -1.081 -6.542 5.708 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.684 -3.814 4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.089 -3.883 2.881 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.991 -5.233 2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.831 -7.530 3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.379 -4.262 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.770 -9.074 3.694 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.317 -5.803 2.567 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.053 -7.895 2.820 1.00 0.00 H new ATOM 676 N LYS A 51 -2.742 -3.257 6.012 1.00 0.00 N ATOM 677 CA LYS A 51 -3.907 -2.942 6.884 1.00 0.00 C ATOM 678 C LYS A 51 -4.984 -2.230 6.054 1.00 0.00 C ATOM 679 O LYS A 51 -4.691 -1.366 5.251 1.00 0.00 O ATOM 680 CB LYS A 51 -3.460 -2.046 8.038 1.00 0.00 C ATOM 681 CG LYS A 51 -2.798 -2.903 9.119 1.00 0.00 C ATOM 682 CD LYS A 51 -2.077 -1.999 10.118 1.00 0.00 C ATOM 683 CE LYS A 51 -2.465 -2.403 11.540 1.00 0.00 C ATOM 684 NZ LYS A 51 -1.255 -2.387 12.408 1.00 0.00 N ATOM 0 H LYS A 51 -2.154 -2.459 5.770 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.318 -3.865 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.761 -1.292 7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.316 -1.515 8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.549 -3.503 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.091 -3.597 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.998 -2.081 9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.342 -0.957 9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.216 -1.717 11.932 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.911 -3.397 11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.508 -2.024 13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.880 -3.353 12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.531 -1.773 11.983 1.00 0.00 H new ATOM 698 N THR A 52 -6.226 -2.597 6.235 1.00 0.00 N ATOM 699 CA THR A 52 -7.329 -1.958 5.454 1.00 0.00 C ATOM 700 C THR A 52 -7.811 -0.693 6.166 1.00 0.00 C ATOM 701 O THR A 52 -7.331 -0.338 7.225 1.00 0.00 O ATOM 702 CB THR A 52 -8.494 -2.943 5.335 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.844 -3.417 6.627 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.078 -4.122 4.452 1.00 0.00 C ATOM 0 H THR A 52 -6.526 -3.316 6.894 1.00 0.00 H new ATOM 0 HA THR A 52 -6.960 -1.692 4.463 1.00 0.00 H new ATOM 0 HB THR A 52 -9.352 -2.441 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.591 -4.047 6.553 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.908 -4.824 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.809 -3.757 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.221 -4.626 4.898 1.00 0.00 H new ATOM 712 N GLN A 53 -8.758 -0.012 5.582 1.00 0.00 N ATOM 713 CA GLN A 53 -9.288 1.234 6.203 1.00 0.00 C ATOM 714 C GLN A 53 -10.690 1.497 5.660 1.00 0.00 C ATOM 715 O GLN A 53 -11.071 0.977 4.631 1.00 0.00 O ATOM 716 CB GLN A 53 -8.401 2.413 5.819 1.00 0.00 C ATOM 717 CG GLN A 53 -7.611 2.904 7.025 1.00 0.00 C ATOM 718 CD GLN A 53 -8.569 3.487 8.066 1.00 0.00 C ATOM 719 OE1 GLN A 53 -9.482 2.821 8.508 1.00 0.00 O ATOM 720 NE2 GLN A 53 -8.400 4.715 8.476 1.00 0.00 N ATOM 0 H GLN A 53 -9.190 -0.268 4.694 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.308 1.118 7.287 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.716 2.116 5.025 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.014 3.223 5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.043 2.081 7.460 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.890 3.661 6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.633 5.276 8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.035 5.114 9.167 1.00 0.00 H new ATOM 729 N VAL A 54 -11.462 2.302 6.332 1.00 0.00 N ATOM 730 CA VAL A 54 -12.826 2.586 5.830 1.00 0.00 C ATOM 731 C VAL A 54 -13.053 4.103 5.726 1.00 0.00 C ATOM 732 O VAL A 54 -12.646 4.869 6.578 1.00 0.00 O ATOM 733 CB VAL A 54 -13.842 1.937 6.767 1.00 0.00 C ATOM 734 CG1 VAL A 54 -14.381 2.958 7.761 1.00 0.00 C ATOM 735 CG2 VAL A 54 -14.996 1.377 5.932 1.00 0.00 C ATOM 0 H VAL A 54 -11.207 2.771 7.201 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.948 2.168 4.831 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.356 1.136 7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.104 2.477 8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.558 3.358 8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.867 3.770 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.729 0.911 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.470 2.187 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.612 0.634 5.233 1.00 0.00 H new ATOM 745 N VAL A 55 -13.711 4.526 4.685 1.00 0.00 N ATOM 746 CA VAL A 55 -13.997 5.977 4.491 1.00 0.00 C ATOM 747 C VAL A 55 -15.077 6.091 3.411 1.00 0.00 C ATOM 748 O VAL A 55 -16.233 5.809 3.650 1.00 0.00 O ATOM 749 CB VAL A 55 -12.723 6.703 4.040 1.00 0.00 C ATOM 750 CG1 VAL A 55 -11.930 7.169 5.262 1.00 0.00 C ATOM 751 CG2 VAL A 55 -11.858 5.749 3.210 1.00 0.00 C ATOM 0 H VAL A 55 -14.069 3.919 3.947 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.336 6.432 5.421 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.999 7.568 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.027 7.684 4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.541 7.850 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.656 6.306 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.953 6.264 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.588 4.883 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.417 5.419 2.334 1.00 0.00 H new ATOM 761 N ALA A 56 -14.706 6.453 2.212 1.00 0.00 N ATOM 762 CA ALA A 56 -15.705 6.526 1.115 1.00 0.00 C ATOM 763 C ALA A 56 -15.560 5.244 0.303 1.00 0.00 C ATOM 764 O ALA A 56 -15.783 5.203 -0.891 1.00 0.00 O ATOM 765 CB ALA A 56 -15.402 7.731 0.231 1.00 0.00 C ATOM 0 H ALA A 56 -13.752 6.701 1.948 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.717 6.631 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.135 7.785 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.451 8.642 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.403 7.629 -0.194 1.00 0.00 H new ATOM 771 N GLY A 57 -15.148 4.206 0.968 1.00 0.00 N ATOM 772 CA GLY A 57 -14.923 2.893 0.311 1.00 0.00 C ATOM 773 C GLY A 57 -13.978 2.115 1.206 1.00 0.00 C ATOM 774 O GLY A 57 -14.365 1.568 2.219 1.00 0.00 O ATOM 0 H GLY A 57 -14.952 4.214 1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.864 2.358 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.494 3.026 -0.682 1.00 0.00 H new ATOM 778 N THR A 58 -12.735 2.101 0.862 1.00 0.00 N ATOM 779 CA THR A 58 -11.739 1.396 1.724 1.00 0.00 C ATOM 780 C THR A 58 -10.319 1.768 1.303 1.00 0.00 C ATOM 781 O THR A 58 -9.909 1.527 0.185 1.00 0.00 O ATOM 782 CB THR A 58 -11.912 -0.120 1.627 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.283 -0.456 1.810 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.061 -0.788 2.718 1.00 0.00 C ATOM 0 H THR A 58 -12.354 2.543 0.025 1.00 0.00 H new ATOM 0 HA THR A 58 -11.908 1.707 2.755 1.00 0.00 H new ATOM 0 HB THR A 58 -11.590 -0.469 0.646 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.686 0.157 2.460 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.177 -1.870 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.013 -0.527 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.389 -0.442 3.698 1.00 0.00 H new ATOM 792 N ASN A 59 -9.556 2.335 2.201 1.00 0.00 N ATOM 793 CA ASN A 59 -8.169 2.699 1.875 1.00 0.00 C ATOM 794 C ASN A 59 -7.326 1.440 1.923 1.00 0.00 C ATOM 795 O ASN A 59 -7.828 0.334 1.949 1.00 0.00 O ATOM 796 CB ASN A 59 -7.666 3.653 2.946 1.00 0.00 C ATOM 797 CG ASN A 59 -7.883 5.103 2.537 1.00 0.00 C ATOM 798 OD1 ASN A 59 -7.755 5.451 1.381 1.00 0.00 O ATOM 799 ND2 ASN A 59 -8.198 5.971 3.461 1.00 0.00 N ATOM 0 H ASN A 59 -9.849 2.559 3.152 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.111 3.162 0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.184 3.456 3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.605 3.477 3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.339 6.951 3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.303 5.669 4.430 1.00 0.00 H new ATOM 806 N TYR A 60 -6.051 1.608 1.974 1.00 0.00 N ATOM 807 CA TYR A 60 -5.152 0.434 2.068 1.00 0.00 C ATOM 808 C TYR A 60 -3.886 0.839 2.790 1.00 0.00 C ATOM 809 O TYR A 60 -3.455 1.968 2.733 1.00 0.00 O ATOM 810 CB TYR A 60 -4.758 -0.082 0.684 1.00 0.00 C ATOM 811 CG TYR A 60 -5.983 -0.439 -0.102 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.646 0.545 -0.830 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.438 -1.758 -0.124 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.771 0.218 -1.583 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.568 -2.092 -0.872 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.237 -1.105 -1.605 1.00 0.00 C ATOM 817 OH TYR A 60 -9.352 -1.434 -2.347 1.00 0.00 O ATOM 0 H TYR A 60 -5.582 2.514 1.955 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.683 -0.353 2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.185 0.679 0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.113 -0.955 0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.287 1.564 -0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.916 -2.519 0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.284 0.982 -2.149 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.926 -3.111 -0.885 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.153 -2.213 -2.908 1.00 0.00 H new ATOM 827 N TYR A 61 -3.277 -0.100 3.422 1.00 0.00 N ATOM 828 CA TYR A 61 -2.001 0.145 4.125 1.00 0.00 C ATOM 829 C TYR A 61 -1.167 -1.074 3.806 1.00 0.00 C ATOM 830 O TYR A 61 -1.663 -2.173 3.847 1.00 0.00 O ATOM 831 CB TYR A 61 -2.239 0.263 5.632 1.00 0.00 C ATOM 832 CG TYR A 61 -3.045 1.509 5.931 1.00 0.00 C ATOM 833 CD1 TYR A 61 -2.901 2.651 5.132 1.00 0.00 C ATOM 834 CD2 TYR A 61 -3.937 1.521 7.011 1.00 0.00 C ATOM 835 CE1 TYR A 61 -3.646 3.801 5.413 1.00 0.00 C ATOM 836 CE2 TYR A 61 -4.682 2.674 7.291 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.536 3.814 6.492 1.00 0.00 C ATOM 838 OH TYR A 61 -5.268 4.952 6.768 1.00 0.00 O ATOM 0 H TYR A 61 -3.617 -1.059 3.486 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.517 1.072 3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.768 -0.618 5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.285 0.302 6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.214 2.643 4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.050 0.642 7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.534 4.680 4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.369 2.683 8.124 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.179 5.176 7.718 1.00 0.00 H new ATOM 848 N ILE A 62 0.054 -0.936 3.416 1.00 0.00 N ATOM 849 CA ILE A 62 0.781 -2.167 3.047 1.00 0.00 C ATOM 850 C ILE A 62 2.262 -2.041 3.336 1.00 0.00 C ATOM 851 O ILE A 62 2.952 -1.242 2.736 1.00 0.00 O ATOM 852 CB ILE A 62 0.615 -2.430 1.545 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.868 -2.508 1.139 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.284 -3.761 1.213 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.031 -2.018 -0.307 1.00 0.00 C ATOM 0 H ILE A 62 0.569 -0.059 3.337 1.00 0.00 H new ATOM 0 HA ILE A 62 0.367 -2.984 3.637 1.00 0.00 H new ATOM 0 HB ILE A 62 1.072 -1.605 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.227 -3.533 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.472 -1.898 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.177 -3.966 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.343 -3.710 1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.811 -4.559 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.081 -2.074 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.688 -0.986 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.439 -2.646 -0.973 1.00 0.00 H new ATOM 867 N LYS A 63 2.784 -2.875 4.186 1.00 0.00 N ATOM 868 CA LYS A 63 4.238 -2.825 4.401 1.00 0.00 C ATOM 869 C LYS A 63 4.804 -3.718 3.303 1.00 0.00 C ATOM 870 O LYS A 63 4.750 -4.934 3.384 1.00 0.00 O ATOM 871 CB LYS A 63 4.618 -3.331 5.797 1.00 0.00 C ATOM 872 CG LYS A 63 3.914 -4.652 6.106 1.00 0.00 C ATOM 873 CD LYS A 63 4.591 -5.297 7.317 1.00 0.00 C ATOM 874 CE LYS A 63 4.068 -4.645 8.599 1.00 0.00 C ATOM 875 NZ LYS A 63 4.419 -5.501 9.766 1.00 0.00 N ATOM 0 H LYS A 63 2.274 -3.573 4.728 1.00 0.00 H new ATOM 0 HA LYS A 63 4.633 -1.810 4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.698 -3.466 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.347 -2.586 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.858 -4.478 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.966 -5.318 5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.390 -6.368 7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.672 -5.177 7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.501 -3.652 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.987 -4.516 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.580 -5.631 10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.751 -6.427 9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.172 -5.043 10.319 1.00 0.00 H new ATOM 889 N VAL A 64 5.257 -3.118 2.238 1.00 0.00 N ATOM 890 CA VAL A 64 5.740 -3.910 1.073 1.00 0.00 C ATOM 891 C VAL A 64 7.262 -3.952 1.043 1.00 0.00 C ATOM 892 O VAL A 64 7.921 -2.970 1.294 1.00 0.00 O ATOM 893 CB VAL A 64 5.257 -3.251 -0.220 1.00 0.00 C ATOM 894 CG1 VAL A 64 4.745 -4.320 -1.181 1.00 0.00 C ATOM 895 CG2 VAL A 64 4.133 -2.249 0.071 1.00 0.00 C ATOM 0 H VAL A 64 5.314 -2.106 2.124 1.00 0.00 H new ATOM 0 HA VAL A 64 5.350 -4.924 1.163 1.00 0.00 H new ATOM 0 HB VAL A 64 6.095 -2.719 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.402 -3.848 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.550 -5.019 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.918 -4.858 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.803 -1.791 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.295 -2.767 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.501 -1.475 0.745 1.00 0.00 H new ATOM 905 N ARG A 65 7.832 -5.067 0.692 1.00 0.00 N ATOM 906 CA ARG A 65 9.312 -5.113 0.604 1.00 0.00 C ATOM 907 C ARG A 65 9.707 -4.250 -0.578 1.00 0.00 C ATOM 908 O ARG A 65 9.234 -4.433 -1.675 1.00 0.00 O ATOM 909 CB ARG A 65 9.818 -6.538 0.378 1.00 0.00 C ATOM 910 CG ARG A 65 9.028 -7.535 1.232 1.00 0.00 C ATOM 911 CD ARG A 65 9.536 -7.485 2.674 1.00 0.00 C ATOM 912 NE ARG A 65 8.886 -6.349 3.383 1.00 0.00 N ATOM 913 CZ ARG A 65 8.360 -6.531 4.564 1.00 0.00 C ATOM 914 NH1 ARG A 65 8.871 -7.415 5.377 1.00 0.00 N ATOM 915 NH2 ARG A 65 7.323 -5.831 4.930 1.00 0.00 N ATOM 0 H ARG A 65 7.346 -5.935 0.466 1.00 0.00 H new ATOM 0 HA ARG A 65 9.749 -4.757 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.724 -6.800 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.877 -6.597 0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.965 -7.295 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.139 -8.542 0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.313 -8.423 3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.619 -7.365 2.687 1.00 0.00 H new ATOM 0 HE ARG A 65 8.852 -5.428 2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.681 -7.964 5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.460 -7.557 6.300 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.923 -5.141 4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.912 -5.973 5.853 1.00 0.00 H new ATOM 929 N ALA A 66 10.554 -3.300 -0.350 1.00 0.00 N ATOM 930 CA ALA A 66 10.979 -2.374 -1.436 1.00 0.00 C ATOM 931 C ALA A 66 12.098 -2.991 -2.268 1.00 0.00 C ATOM 932 O ALA A 66 13.006 -2.320 -2.709 1.00 0.00 O ATOM 933 CB ALA A 66 11.475 -1.079 -0.811 1.00 0.00 C ATOM 0 H ALA A 66 10.982 -3.117 0.558 1.00 0.00 H new ATOM 0 HA ALA A 66 10.128 -2.182 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.789 -0.393 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.672 -0.624 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.320 -1.291 -0.156 1.00 0.00 H new ATOM 939 N GLY A 67 12.003 -4.254 -2.511 1.00 0.00 N ATOM 940 CA GLY A 67 13.023 -4.954 -3.351 1.00 0.00 C ATOM 941 C GLY A 67 14.375 -5.118 -2.628 1.00 0.00 C ATOM 942 O GLY A 67 14.755 -6.213 -2.262 1.00 0.00 O ATOM 0 H GLY A 67 11.254 -4.852 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.644 -5.937 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.174 -4.394 -4.274 1.00 0.00 H new ATOM 946 N ASP A 68 15.136 -4.058 -2.490 1.00 0.00 N ATOM 947 CA ASP A 68 16.489 -4.166 -1.872 1.00 0.00 C ATOM 948 C ASP A 68 16.456 -4.261 -0.337 1.00 0.00 C ATOM 949 O ASP A 68 17.254 -3.633 0.332 1.00 0.00 O ATOM 950 CB ASP A 68 17.319 -2.944 -2.275 1.00 0.00 C ATOM 951 CG ASP A 68 16.733 -1.687 -1.629 1.00 0.00 C ATOM 952 OD1 ASP A 68 15.787 -1.819 -0.872 1.00 0.00 O ATOM 953 OD2 ASP A 68 17.241 -0.612 -1.905 1.00 0.00 O ATOM 0 H ASP A 68 14.872 -3.117 -2.782 1.00 0.00 H new ATOM 0 HA ASP A 68 16.932 -5.092 -2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.355 -3.076 -1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.325 -2.838 -3.360 1.00 0.00 H new ATOM 958 N ASN A 92 15.587 -5.059 0.229 1.00 0.00 N ATOM 959 CA ASN A 92 15.560 -5.211 1.720 1.00 0.00 C ATOM 960 C ASN A 92 14.823 -4.043 2.384 1.00 0.00 C ATOM 961 O ASN A 92 14.062 -4.235 3.312 1.00 0.00 O ATOM 962 CB ASN A 92 16.991 -5.271 2.258 1.00 0.00 C ATOM 963 CG ASN A 92 17.080 -6.343 3.345 1.00 0.00 C ATOM 964 OD1 ASN A 92 16.148 -7.095 3.552 1.00 0.00 O ATOM 965 ND2 ASN A 92 18.169 -6.445 4.057 1.00 0.00 N ATOM 0 H ASN A 92 14.894 -5.613 -0.275 1.00 0.00 H new ATOM 0 HA ASN A 92 15.031 -6.135 1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.686 -5.498 1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 92 17.280 -4.301 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 92 18.237 -7.155 4.786 1.00 0.00 H new ATOM 0 HD22 ASN A 92 18.952 -5.815 3.884 1.00 0.00 H new ATOM 972 N LYS A 93 15.030 -2.837 1.930 1.00 0.00 N ATOM 973 CA LYS A 93 14.326 -1.688 2.560 1.00 0.00 C ATOM 974 C LYS A 93 12.846 -1.828 2.258 1.00 0.00 C ATOM 975 O LYS A 93 12.483 -2.285 1.202 1.00 0.00 O ATOM 976 CB LYS A 93 14.839 -0.383 1.959 1.00 0.00 C ATOM 977 CG LYS A 93 16.277 -0.138 2.417 1.00 0.00 C ATOM 978 CD LYS A 93 16.654 1.324 2.169 1.00 0.00 C ATOM 979 CE LYS A 93 16.866 1.550 0.672 1.00 0.00 C ATOM 980 NZ LYS A 93 16.678 2.995 0.356 1.00 0.00 N ATOM 0 H LYS A 93 15.651 -2.600 1.156 1.00 0.00 H new ATOM 0 HA LYS A 93 14.502 -1.678 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.796 -0.430 0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.202 0.446 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.377 -0.375 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.958 -0.796 1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.867 1.981 2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.562 1.574 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.868 1.231 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.162 0.947 0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.822 3.149 -0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.714 3.285 0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.367 3.560 0.893 1.00 0.00 H new ATOM 994 N TYR A 94 11.985 -1.460 3.166 1.00 0.00 N ATOM 995 CA TYR A 94 10.531 -1.612 2.890 1.00 0.00 C ATOM 996 C TYR A 94 9.907 -0.263 2.579 1.00 0.00 C ATOM 997 O TYR A 94 10.528 0.775 2.704 1.00 0.00 O ATOM 998 CB TYR A 94 9.833 -2.235 4.101 1.00 0.00 C ATOM 999 CG TYR A 94 10.398 -3.611 4.366 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.167 -4.260 3.388 1.00 0.00 C ATOM 1001 CD2 TYR A 94 10.158 -4.237 5.592 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.694 -5.529 3.638 1.00 0.00 C ATOM 1003 CE2 TYR A 94 10.684 -5.510 5.843 1.00 0.00 C ATOM 1004 CZ TYR A 94 11.453 -6.156 4.866 1.00 0.00 C ATOM 1005 OH TYR A 94 11.972 -7.410 5.115 1.00 0.00 O ATOM 0 H TYR A 94 12.222 -1.065 4.076 1.00 0.00 H new ATOM 0 HA TYR A 94 10.408 -2.265 2.026 1.00 0.00 H new ATOM 0 HB2 TYR A 94 9.970 -1.601 4.977 1.00 0.00 H new ATOM 0 HB3 TYR A 94 8.760 -2.301 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 94 11.352 -3.777 2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 94 9.567 -3.739 6.346 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.287 -6.026 2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.497 -5.994 6.790 1.00 0.00 H new ATOM 0 HH TYR A 94 11.711 -7.699 6.014 1.00 0.00 H new ATOM 1015 N MET A 95 8.677 -0.280 2.167 1.00 0.00 N ATOM 1016 CA MET A 95 7.980 0.984 1.831 1.00 0.00 C ATOM 1017 C MET A 95 6.516 0.870 2.245 1.00 0.00 C ATOM 1018 O MET A 95 5.770 0.065 1.716 1.00 0.00 O ATOM 1019 CB MET A 95 8.063 1.221 0.321 1.00 0.00 C ATOM 1020 CG MET A 95 9.023 2.377 0.030 1.00 0.00 C ATOM 1021 SD MET A 95 9.297 2.492 -1.755 1.00 0.00 S ATOM 1022 CE MET A 95 7.570 2.285 -2.253 1.00 0.00 C ATOM 0 H MET A 95 8.118 -1.125 2.047 1.00 0.00 H new ATOM 0 HA MET A 95 8.448 1.816 2.357 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.406 0.316 -0.180 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.074 1.449 -0.076 1.00 0.00 H new ATOM 0 HG2 MET A 95 8.609 3.312 0.407 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.970 2.217 0.545 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.435 2.667 -3.265 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.308 1.227 -2.226 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.925 2.836 -1.568 1.00 0.00 H new ATOM 1032 N HIS A 96 6.093 1.671 3.182 1.00 0.00 N ATOM 1033 CA HIS A 96 4.672 1.609 3.609 1.00 0.00 C ATOM 1034 C HIS A 96 3.821 2.149 2.470 1.00 0.00 C ATOM 1035 O HIS A 96 4.258 2.984 1.704 1.00 0.00 O ATOM 1036 CB HIS A 96 4.464 2.448 4.869 1.00 0.00 C ATOM 1037 CG HIS A 96 4.386 1.533 6.058 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.579 1.973 7.361 1.00 0.00 N ATOM 1039 CD2 HIS A 96 4.156 0.189 6.146 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.465 0.910 8.168 1.00 0.00 C ATOM 1041 NE2 HIS A 96 4.219 -0.210 7.479 1.00 0.00 N ATOM 0 H HIS A 96 6.667 2.361 3.667 1.00 0.00 H new ATOM 0 HA HIS A 96 4.388 0.582 3.839 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.285 3.154 4.991 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.549 3.034 4.784 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.956 -0.464 5.310 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.560 0.952 9.243 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.103 -1.153 7.850 1.00 0.00 H new ATOM 1049 N LEU A 97 2.632 1.657 2.318 1.00 0.00 N ATOM 1050 CA LEU A 97 1.798 2.128 1.185 1.00 0.00 C ATOM 1051 C LEU A 97 0.384 2.460 1.640 1.00 0.00 C ATOM 1052 O LEU A 97 -0.258 1.687 2.313 1.00 0.00 O ATOM 1053 CB LEU A 97 1.730 1.010 0.156 1.00 0.00 C ATOM 1054 CG LEU A 97 1.220 1.569 -1.159 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.353 2.328 -1.851 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.751 0.409 -2.034 1.00 0.00 C ATOM 0 H LEU A 97 2.202 0.956 2.921 1.00 0.00 H new ATOM 0 HA LEU A 97 2.243 3.031 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.716 0.567 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.070 0.217 0.507 1.00 0.00 H new ATOM 0 HG LEU A 97 0.388 2.252 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.995 2.733 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.689 3.144 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.184 1.649 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.381 0.796 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.585 -0.268 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.049 -0.130 -1.526 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.118 3.592 1.238 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.508 3.961 1.610 1.00 0.00 C ATOM 1070 C LYS A 98 -2.297 4.209 0.318 1.00 0.00 C ATOM 1071 O LYS A 98 -2.138 5.227 -0.318 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.500 5.228 2.469 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.935 5.732 2.646 1.00 0.00 C ATOM 1074 CD LYS A 98 -2.980 6.797 3.744 1.00 0.00 C ATOM 1075 CE LYS A 98 -4.417 7.298 3.904 1.00 0.00 C ATOM 1076 NZ LYS A 98 -4.404 8.751 4.233 1.00 0.00 N ATOM 0 H LYS A 98 0.376 4.278 0.667 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.970 3.159 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.054 5.019 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.889 5.997 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.302 6.148 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.592 4.902 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.621 6.381 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.320 7.626 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.977 7.128 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.922 6.740 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.381 9.091 4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.884 8.901 5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.938 9.276 3.466 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.128 3.280 -0.087 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.903 3.462 -1.348 1.00 0.00 C ATOM 1092 C VAL A 99 -5.380 3.704 -1.006 1.00 0.00 C ATOM 1093 O VAL A 99 -5.826 3.403 0.083 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.781 2.173 -2.189 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -5.013 1.989 -3.078 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.561 2.240 -3.100 1.00 0.00 C ATOM 0 H VAL A 99 -3.301 2.403 0.404 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.516 4.314 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.689 1.340 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.907 1.075 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.904 1.920 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.106 2.841 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.492 1.322 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.656 3.092 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.661 2.353 -2.495 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.156 4.205 -1.939 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.604 4.402 -1.653 1.00 0.00 C ATOM 1108 C PHE A 100 -8.419 3.720 -2.748 1.00 0.00 C ATOM 1109 O PHE A 100 -8.147 3.881 -3.928 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.948 5.893 -1.617 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.417 6.075 -1.315 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -10.371 5.741 -2.285 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -9.828 6.583 -0.077 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.733 5.913 -2.015 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.193 6.754 0.192 1.00 0.00 C ATOM 1116 CZ PHE A 100 -12.145 6.417 -0.777 1.00 0.00 C ATOM 0 H PHE A 100 -5.850 4.481 -2.872 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.838 3.969 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.347 6.395 -0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.705 6.354 -2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.055 5.351 -3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.093 6.843 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -12.468 5.656 -2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -11.510 7.146 1.147 1.00 0.00 H new ATOM 0 HZ PHE A 100 -13.197 6.546 -0.569 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.419 2.967 -2.370 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.269 2.291 -3.387 1.00 0.00 C ATOM 1128 C LYS A 101 -11.530 3.111 -3.561 1.00 0.00 C ATOM 1129 O LYS A 101 -12.193 3.460 -2.605 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.670 0.895 -2.931 1.00 0.00 C ATOM 1131 CG LYS A 101 -10.602 -0.068 -4.117 1.00 0.00 C ATOM 1132 CD LYS A 101 -11.598 -1.207 -3.901 1.00 0.00 C ATOM 1133 CE LYS A 101 -11.998 -1.806 -5.250 1.00 0.00 C ATOM 1134 NZ LYS A 101 -13.282 -2.546 -5.097 1.00 0.00 N ATOM 0 H LYS A 101 -9.682 2.793 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.707 2.207 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.007 0.556 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.679 0.911 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.831 0.460 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.593 -0.467 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.154 -1.976 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.481 -0.837 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.106 -1.017 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.218 -2.478 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.558 -2.955 -6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.163 -3.308 -4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.023 -1.892 -4.773 1.00 0.00 H new ATOM 1148 N SER A 102 -11.868 3.422 -4.761 1.00 0.00 N ATOM 1149 CA SER A 102 -13.095 4.227 -4.982 1.00 0.00 C ATOM 1150 C SER A 102 -14.239 3.326 -5.448 1.00 0.00 C ATOM 1151 O SER A 102 -15.253 3.807 -5.913 1.00 0.00 O ATOM 1152 CB SER A 102 -12.824 5.307 -6.028 1.00 0.00 C ATOM 1153 OG SER A 102 -11.606 5.969 -5.714 1.00 0.00 O ATOM 0 H SER A 102 -11.356 3.159 -5.603 1.00 0.00 H new ATOM 0 HA SER A 102 -13.381 4.701 -4.043 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.764 4.861 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.646 6.023 -6.050 1.00 0.00 H new ATOM 0 HG SER A 102 -11.428 5.888 -4.754 1.00 0.00 H new ATOM 1159 N LEU A 102A -14.080 2.027 -5.304 1.00 0.00 N ATOM 1160 CA LEU A 102A -15.139 1.047 -5.710 1.00 0.00 C ATOM 1161 C LEU A 102A -16.147 1.677 -6.683 1.00 0.00 C ATOM 1162 O LEU A 102A -17.312 1.811 -6.371 1.00 0.00 O ATOM 1163 CB LEU A 102A -15.862 0.545 -4.460 1.00 0.00 C ATOM 1164 CG LEU A 102A -16.114 1.702 -3.488 1.00 0.00 C ATOM 1165 CD1 LEU A 102A -17.536 2.233 -3.676 1.00 0.00 C ATOM 1166 CD2 LEU A 102A -15.939 1.202 -2.054 1.00 0.00 C ATOM 0 H LEU A 102A -13.241 1.599 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 102A -14.661 0.214 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 102A -16.809 0.084 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 102A -15.265 -0.225 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 102A -15.403 2.505 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 102A -17.712 3.056 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 102A -17.660 2.588 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 102A -18.251 1.434 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 102A -16.117 2.022 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 102A -16.651 0.400 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 102A -14.924 0.827 -1.921 1.00 0.00 H new ATOM 1178 N PRO A 103 -15.658 2.044 -7.840 1.00 0.00 N ATOM 1179 CA PRO A 103 -16.479 2.665 -8.901 1.00 0.00 C ATOM 1180 C PRO A 103 -17.291 1.612 -9.666 1.00 0.00 C ATOM 1181 O PRO A 103 -17.741 1.851 -10.769 1.00 0.00 O ATOM 1182 CB PRO A 103 -15.439 3.302 -9.825 1.00 0.00 C ATOM 1183 CG PRO A 103 -14.117 2.533 -9.583 1.00 0.00 C ATOM 1184 CD PRO A 103 -14.237 1.876 -8.196 1.00 0.00 C ATOM 0 HA PRO A 103 -17.205 3.375 -8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -15.747 3.228 -10.868 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -15.319 4.362 -9.603 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -13.960 1.780 -10.356 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -13.263 3.210 -9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -13.956 0.823 -8.228 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -13.584 2.358 -7.469 1.00 0.00 H new ATOM 1192 N GLY A 104 -17.483 0.454 -9.100 1.00 0.00 N ATOM 1193 CA GLY A 104 -18.265 -0.597 -9.811 1.00 0.00 C ATOM 1194 C GLY A 104 -17.705 -0.783 -11.224 1.00 0.00 C ATOM 1195 O GLY A 104 -18.438 -0.828 -12.190 1.00 0.00 O ATOM 0 H GLY A 104 -17.134 0.189 -8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.214 -1.537 -9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -19.316 -0.313 -9.860 1.00 0.00 H new ATOM 1199 N GLN A 105 -16.409 -0.893 -11.351 1.00 0.00 N ATOM 1200 CA GLN A 105 -15.804 -1.077 -12.701 1.00 0.00 C ATOM 1201 C GLN A 105 -14.455 -1.787 -12.561 1.00 0.00 C ATOM 1202 O GLN A 105 -14.216 -2.499 -11.605 1.00 0.00 O ATOM 1203 CB GLN A 105 -15.598 0.290 -13.358 1.00 0.00 C ATOM 1204 CG GLN A 105 -16.054 0.230 -14.817 1.00 0.00 C ATOM 1205 CD GLN A 105 -17.447 0.854 -14.943 1.00 0.00 C ATOM 1206 OE1 GLN A 105 -17.597 2.056 -14.852 1.00 0.00 O ATOM 1207 NE2 GLN A 105 -18.478 0.080 -15.150 1.00 0.00 N ATOM 0 H GLN A 105 -15.744 -0.863 -10.578 1.00 0.00 H new ATOM 0 HA GLN A 105 -16.469 -1.679 -13.320 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -16.162 1.052 -12.821 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.547 0.576 -13.306 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.346 0.763 -15.452 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.075 -0.804 -15.160 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -18.351 -0.929 -15.226 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.410 0.485 -15.235 1.00 0.00 H new ATOM 1216 N ASN A 105A -13.569 -1.600 -13.502 1.00 0.00 N ATOM 1217 CA ASN A 105A -12.239 -2.266 -13.413 1.00 0.00 C ATOM 1218 C ASN A 105A -11.506 -1.767 -12.166 1.00 0.00 C ATOM 1219 O ASN A 105A -12.116 -1.393 -11.185 1.00 0.00 O ATOM 1220 CB ASN A 105A -11.414 -1.936 -14.660 1.00 0.00 C ATOM 1221 CG ASN A 105A -10.486 -3.110 -14.987 1.00 0.00 C ATOM 1222 OD1 ASN A 105A -10.307 -4.002 -14.181 1.00 0.00 O ATOM 1223 ND2 ASN A 105A -9.881 -3.147 -16.144 1.00 0.00 N ATOM 0 H ASN A 105A -13.709 -1.016 -14.327 1.00 0.00 H new ATOM 0 HA ASN A 105A -12.376 -3.345 -13.348 1.00 0.00 H new ATOM 0 HB2 ASN A 105A -12.075 -1.736 -15.503 1.00 0.00 H new ATOM 0 HB3 ASN A 105A -10.828 -1.032 -14.492 1.00 0.00 H new ATOM 0 HD21 ASN A 105A -9.260 -3.924 -16.370 1.00 0.00 H new ATOM 0 HD22 ASN A 105A -10.030 -2.399 -16.822 1.00 0.00 H new ATOM 1230 N GLU A 106 -10.201 -1.758 -12.193 1.00 0.00 N ATOM 1231 CA GLU A 106 -9.437 -1.282 -11.005 1.00 0.00 C ATOM 1232 C GLU A 106 -9.155 0.214 -11.151 1.00 0.00 C ATOM 1233 O GLU A 106 -8.834 0.691 -12.222 1.00 0.00 O ATOM 1234 CB GLU A 106 -8.105 -2.035 -10.902 1.00 0.00 C ATOM 1235 CG GLU A 106 -8.290 -3.500 -11.313 1.00 0.00 C ATOM 1236 CD GLU A 106 -6.981 -4.029 -11.904 1.00 0.00 C ATOM 1237 OE1 GLU A 106 -5.934 -3.633 -11.422 1.00 0.00 O ATOM 1238 OE2 GLU A 106 -7.051 -4.820 -12.830 1.00 0.00 O ATOM 0 H GLU A 106 -9.632 -2.059 -12.984 1.00 0.00 H new ATOM 0 HA GLU A 106 -10.026 -1.465 -10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.361 -1.561 -11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.727 -1.981 -9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.580 -4.098 -10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.093 -3.586 -12.045 1.00 0.00 H new ATOM 1245 N ASP A 107 -9.266 0.959 -10.086 1.00 0.00 N ATOM 1246 CA ASP A 107 -8.998 2.424 -10.176 1.00 0.00 C ATOM 1247 C ASP A 107 -8.588 2.955 -8.804 1.00 0.00 C ATOM 1248 O ASP A 107 -9.116 3.936 -8.318 1.00 0.00 O ATOM 1249 CB ASP A 107 -10.254 3.156 -10.655 1.00 0.00 C ATOM 1250 CG ASP A 107 -11.118 2.210 -11.494 1.00 0.00 C ATOM 1251 OD1 ASP A 107 -11.575 1.218 -10.949 1.00 0.00 O ATOM 1252 OD2 ASP A 107 -11.308 2.494 -12.665 1.00 0.00 O ATOM 0 H ASP A 107 -9.529 0.620 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.191 2.596 -10.888 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -10.823 3.520 -9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.975 4.028 -11.246 1.00 0.00 H new ATOM 1257 N LEU A 108 -7.651 2.307 -8.181 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.188 2.752 -6.838 1.00 0.00 C ATOM 1259 C LEU A 108 -6.241 3.917 -6.976 1.00 0.00 C ATOM 1260 O LEU A 108 -6.037 4.468 -8.039 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.461 1.611 -6.134 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.487 0.617 -5.612 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.417 0.223 -6.752 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.765 -0.622 -5.080 1.00 0.00 C ATOM 0 H LEU A 108 -7.180 1.479 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.058 3.053 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.777 1.118 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.860 1.998 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.067 1.067 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.157 -0.490 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.924 1.110 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.837 -0.234 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.497 -1.337 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.189 -1.081 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.093 -0.333 -4.272 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.697 4.314 -5.880 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.788 5.481 -5.885 1.00 0.00 C ATOM 1278 C VAL A 109 -3.678 5.311 -4.854 1.00 0.00 C ATOM 1279 O VAL A 109 -3.775 4.511 -3.949 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.622 6.667 -5.472 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.168 6.376 -4.096 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.776 7.940 -5.431 1.00 0.00 C ATOM 0 H VAL A 109 -5.841 3.880 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.334 5.598 -6.869 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.426 6.826 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.779 7.215 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.778 5.473 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.342 6.229 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.400 8.782 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.965 7.815 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.359 8.132 -6.420 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.646 6.099 -4.964 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.557 6.053 -3.996 1.00 0.00 C ATOM 1294 C LEU A 110 -1.823 7.191 -3.006 1.00 0.00 C ATOM 1295 O LEU A 110 -1.344 8.296 -3.157 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.269 6.287 -4.767 1.00 0.00 C ATOM 1297 CG LEU A 110 0.814 6.720 -3.816 1.00 0.00 C ATOM 1298 CD1 LEU A 110 0.985 5.649 -2.744 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.099 6.895 -4.610 1.00 0.00 C ATOM 0 H LEU A 110 -2.524 6.785 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.483 5.106 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.029 5.374 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.423 7.049 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 110 0.558 7.662 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.768 5.952 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.047 5.523 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.262 4.705 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.900 7.209 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.368 5.949 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.951 7.653 -5.380 1.00 0.00 H new ATOM 1311 N THR A 111 -2.644 6.942 -2.029 1.00 0.00 N ATOM 1312 CA THR A 111 -3.003 8.017 -1.061 1.00 0.00 C ATOM 1313 C THR A 111 -1.833 8.327 -0.119 1.00 0.00 C ATOM 1314 O THR A 111 -1.864 9.301 0.607 1.00 0.00 O ATOM 1315 CB THR A 111 -4.227 7.579 -0.252 1.00 0.00 C ATOM 1316 OG1 THR A 111 -4.242 6.164 -0.141 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.497 8.045 -0.969 1.00 0.00 C ATOM 0 H THR A 111 -3.085 6.039 -1.856 1.00 0.00 H new ATOM 0 HA THR A 111 -3.234 8.926 -1.617 1.00 0.00 H new ATOM 0 HB THR A 111 -4.183 8.020 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.916 5.895 0.517 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.372 7.736 -0.397 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.487 9.131 -1.058 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.538 7.600 -1.963 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.796 7.531 -0.120 1.00 0.00 N ATOM 1326 CA GLY A 112 0.354 7.836 0.785 1.00 0.00 C ATOM 1327 C GLY A 112 1.395 6.720 0.737 1.00 0.00 C ATOM 1328 O GLY A 112 1.389 5.888 -0.147 1.00 0.00 O ATOM 0 H GLY A 112 -0.694 6.696 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.813 8.780 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.005 7.960 1.807 1.00 0.00 H new ATOM 1332 N TYR A 113 2.303 6.721 1.680 1.00 0.00 N ATOM 1333 CA TYR A 113 3.375 5.706 1.715 1.00 0.00 C ATOM 1334 C TYR A 113 4.459 6.191 2.680 1.00 0.00 C ATOM 1335 O TYR A 113 4.839 7.344 2.660 1.00 0.00 O ATOM 1336 CB TYR A 113 3.999 5.594 0.337 1.00 0.00 C ATOM 1337 CG TYR A 113 4.409 6.973 -0.116 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.666 7.475 0.238 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.529 7.757 -0.869 1.00 0.00 C ATOM 1340 CE1 TYR A 113 6.044 8.759 -0.162 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.906 9.044 -1.269 1.00 0.00 C ATOM 1342 CZ TYR A 113 5.166 9.546 -0.915 1.00 0.00 C ATOM 1343 OH TYR A 113 5.541 10.814 -1.310 1.00 0.00 O ATOM 0 H TYR A 113 2.339 7.401 2.439 1.00 0.00 H new ATOM 0 HA TYR A 113 2.968 4.744 2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.864 4.932 0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.289 5.160 -0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.344 6.870 0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.559 7.369 -1.142 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.015 9.145 0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.227 9.650 -1.850 1.00 0.00 H new ATOM 0 HH TYR A 113 6.019 10.763 -2.164 1.00 0.00 H new ATOM 1353 N GLN A 114 4.988 5.332 3.497 1.00 0.00 N ATOM 1354 CA GLN A 114 6.075 5.770 4.415 1.00 0.00 C ATOM 1355 C GLN A 114 7.375 5.252 3.822 1.00 0.00 C ATOM 1356 O GLN A 114 7.627 4.069 3.802 1.00 0.00 O ATOM 1357 CB GLN A 114 5.871 5.202 5.828 1.00 0.00 C ATOM 1358 CG GLN A 114 4.375 5.014 6.117 1.00 0.00 C ATOM 1359 CD GLN A 114 3.908 6.087 7.101 1.00 0.00 C ATOM 1360 OE1 GLN A 114 4.672 6.948 7.486 1.00 0.00 O ATOM 1361 NE2 GLN A 114 2.674 6.071 7.527 1.00 0.00 N ATOM 0 H GLN A 114 4.719 4.351 3.572 1.00 0.00 H new ATOM 0 HA GLN A 114 6.083 6.856 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.389 4.248 5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.309 5.876 6.565 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.804 5.081 5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.195 4.022 6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.032 5.347 7.203 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.352 6.782 8.183 1.00 0.00 H new ATOM 1370 N VAL A 115 8.185 6.109 3.284 1.00 0.00 N ATOM 1371 CA VAL A 115 9.419 5.624 2.637 1.00 0.00 C ATOM 1372 C VAL A 115 10.382 5.020 3.648 1.00 0.00 C ATOM 1373 O VAL A 115 10.293 5.239 4.840 1.00 0.00 O ATOM 1374 CB VAL A 115 10.082 6.782 1.899 1.00 0.00 C ATOM 1375 CG1 VAL A 115 11.059 7.504 2.815 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.830 6.238 0.692 1.00 0.00 C ATOM 0 H VAL A 115 8.045 7.119 3.265 1.00 0.00 H new ATOM 0 HA VAL A 115 9.155 4.836 1.931 1.00 0.00 H new ATOM 0 HB VAL A 115 9.315 7.487 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.524 8.328 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.525 7.894 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.829 6.808 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 115 11.307 7.060 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.590 5.531 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.129 5.732 0.027 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.305 4.260 3.149 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.314 3.611 4.026 1.00 0.00 C ATOM 1388 C ASP A 115A 11.664 3.118 5.325 1.00 0.00 C ATOM 1389 O ASP A 115A 12.304 3.063 6.357 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.414 4.620 4.359 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.695 3.872 4.734 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.667 2.652 4.729 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.681 4.531 5.020 1.00 0.00 O ATOM 0 H ASP A 115A 11.408 4.056 2.155 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.738 2.754 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.597 5.270 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 13.099 5.259 5.184 1.00 0.00 H new ATOM 1398 N LYS A 116 10.411 2.741 5.295 1.00 0.00 N ATOM 1399 CA LYS A 116 9.771 2.241 6.538 1.00 0.00 C ATOM 1400 C LYS A 116 10.233 0.800 6.769 1.00 0.00 C ATOM 1401 O LYS A 116 10.675 0.137 5.853 1.00 0.00 O ATOM 1402 CB LYS A 116 8.246 2.295 6.396 1.00 0.00 C ATOM 1403 CG LYS A 116 7.654 2.992 7.615 1.00 0.00 C ATOM 1404 CD LYS A 116 8.094 4.457 7.637 1.00 0.00 C ATOM 1405 CE LYS A 116 9.203 4.647 8.675 1.00 0.00 C ATOM 1406 NZ LYS A 116 10.296 5.466 8.083 1.00 0.00 N ATOM 0 H LYS A 116 9.812 2.759 4.469 1.00 0.00 H new ATOM 0 HA LYS A 116 10.057 2.862 7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.972 2.831 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.841 1.287 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.566 2.930 7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.980 2.491 8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.451 4.754 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 116 7.245 5.098 7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.805 5.138 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.590 3.679 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.179 5.295 8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.427 5.202 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.047 6.474 8.144 1.00 0.00 H new ATOM 1420 N ASN A 117 10.157 0.313 7.976 1.00 0.00 N ATOM 1421 CA ASN A 117 10.617 -1.083 8.234 1.00 0.00 C ATOM 1422 C ASN A 117 9.450 -1.935 8.737 1.00 0.00 C ATOM 1423 O ASN A 117 8.341 -1.463 8.890 1.00 0.00 O ATOM 1424 CB ASN A 117 11.727 -1.071 9.289 1.00 0.00 C ATOM 1425 CG ASN A 117 12.542 0.220 9.173 1.00 0.00 C ATOM 1426 OD1 ASN A 117 12.768 0.900 10.155 1.00 0.00 O ATOM 1427 ND2 ASN A 117 13.001 0.587 8.008 1.00 0.00 N ATOM 0 H ASN A 117 9.800 0.814 8.789 1.00 0.00 H new ATOM 0 HA ASN A 117 10.998 -1.508 7.305 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.294 -1.150 10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.377 -1.935 9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.549 1.443 7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.812 0.018 7.183 1.00 0.00 H new ATOM 1434 N LYS A 118 9.698 -3.192 8.996 1.00 0.00 N ATOM 1435 CA LYS A 118 8.612 -4.085 9.492 1.00 0.00 C ATOM 1436 C LYS A 118 8.157 -3.608 10.870 1.00 0.00 C ATOM 1437 O LYS A 118 6.981 -3.430 11.116 1.00 0.00 O ATOM 1438 CB LYS A 118 9.134 -5.518 9.595 1.00 0.00 C ATOM 1439 CG LYS A 118 8.042 -6.491 9.149 1.00 0.00 C ATOM 1440 CD LYS A 118 7.610 -7.355 10.336 1.00 0.00 C ATOM 1441 CE LYS A 118 8.728 -8.339 10.683 1.00 0.00 C ATOM 1442 NZ LYS A 118 8.513 -9.615 9.944 1.00 0.00 N ATOM 0 H LYS A 118 10.608 -3.639 8.885 1.00 0.00 H new ATOM 0 HA LYS A 118 7.771 -4.056 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 118 10.020 -5.639 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 118 9.433 -5.735 10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.187 -5.940 8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.411 -7.123 8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.386 -6.724 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.696 -7.897 10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 118 9.696 -7.913 10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.742 -8.526 11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 9.273 -10.285 10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.596 -10.023 10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.520 -9.429 8.921 1.00 0.00 H new ATOM 1456 N ASP A 119 9.080 -3.391 11.771 1.00 0.00 N ATOM 1457 CA ASP A 119 8.693 -2.915 13.128 1.00 0.00 C ATOM 1458 C ASP A 119 7.654 -1.807 12.975 1.00 0.00 C ATOM 1459 O ASP A 119 6.828 -1.587 13.839 1.00 0.00 O ATOM 1460 CB ASP A 119 9.927 -2.369 13.854 1.00 0.00 C ATOM 1461 CG ASP A 119 9.579 -2.090 15.319 1.00 0.00 C ATOM 1462 OD1 ASP A 119 9.003 -1.047 15.582 1.00 0.00 O ATOM 1463 OD2 ASP A 119 9.898 -2.922 16.152 1.00 0.00 O ATOM 0 H ASP A 119 10.081 -3.523 11.625 1.00 0.00 H new ATOM 0 HA ASP A 119 8.278 -3.739 13.709 1.00 0.00 H new ATOM 0 HB2 ASP A 119 10.744 -3.088 13.794 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.271 -1.454 13.371 1.00 0.00 H new ATOM 1468 N ASP A 120 7.687 -1.112 11.869 1.00 0.00 N ATOM 1469 CA ASP A 120 6.701 -0.024 11.639 1.00 0.00 C ATOM 1470 C ASP A 120 5.355 -0.632 11.266 1.00 0.00 C ATOM 1471 O ASP A 120 5.047 -0.810 10.106 1.00 0.00 O ATOM 1472 CB ASP A 120 7.175 0.867 10.488 1.00 0.00 C ATOM 1473 CG ASP A 120 6.895 2.334 10.826 1.00 0.00 C ATOM 1474 OD1 ASP A 120 7.325 2.771 11.881 1.00 0.00 O ATOM 1475 OD2 ASP A 120 6.258 2.995 10.023 1.00 0.00 O ATOM 0 H ASP A 120 8.358 -1.254 11.114 1.00 0.00 H new ATOM 0 HA ASP A 120 6.604 0.569 12.548 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.241 0.720 10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.663 0.591 9.566 1.00 0.00 H new ATOM 1480 N GLU A 121 4.536 -0.936 12.230 1.00 0.00 N ATOM 1481 CA GLU A 121 3.209 -1.498 11.889 1.00 0.00 C ATOM 1482 C GLU A 121 2.497 -0.455 11.038 1.00 0.00 C ATOM 1483 O GLU A 121 2.912 0.686 10.987 1.00 0.00 O ATOM 1484 CB GLU A 121 2.414 -1.766 13.167 1.00 0.00 C ATOM 1485 CG GLU A 121 1.735 -3.132 13.066 1.00 0.00 C ATOM 1486 CD GLU A 121 0.968 -3.417 14.358 1.00 0.00 C ATOM 1487 OE1 GLU A 121 0.564 -2.465 15.007 1.00 0.00 O ATOM 1488 OE2 GLU A 121 0.798 -4.581 14.679 1.00 0.00 O ATOM 0 H GLU A 121 4.726 -0.821 13.225 1.00 0.00 H new ATOM 0 HA GLU A 121 3.306 -2.441 11.351 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.076 -1.740 14.032 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.667 -0.986 13.314 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.054 -3.150 12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.480 -3.909 12.894 1.00 0.00 H new ATOM 1495 N LEU A 122 1.446 -0.802 10.360 1.00 0.00 N ATOM 1496 CA LEU A 122 0.776 0.228 9.528 1.00 0.00 C ATOM 1497 C LEU A 122 -0.294 0.932 10.348 1.00 0.00 C ATOM 1498 O LEU A 122 -1.429 1.093 9.943 1.00 0.00 O ATOM 1499 CB LEU A 122 0.222 -0.403 8.258 1.00 0.00 C ATOM 1500 CG LEU A 122 1.408 -0.568 7.313 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.725 -2.039 7.110 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.123 0.064 5.963 1.00 0.00 C ATOM 0 H LEU A 122 1.028 -1.732 10.344 1.00 0.00 H new ATOM 0 HA LEU A 122 1.497 0.984 9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.242 -1.366 8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.546 0.229 7.812 1.00 0.00 H new ATOM 0 HG LEU A 122 2.262 -0.067 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.574 -2.138 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.971 -2.494 8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.858 -2.542 6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.985 -0.069 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.251 -0.413 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.927 1.128 6.094 1.00 0.00 H new ATOM 1514 N THR A 123 0.111 1.377 11.500 1.00 0.00 N ATOM 1515 CA THR A 123 -0.788 2.124 12.415 1.00 0.00 C ATOM 1516 C THR A 123 -1.499 3.226 11.628 1.00 0.00 C ATOM 1517 O THR A 123 -1.320 3.357 10.436 1.00 0.00 O ATOM 1518 CB THR A 123 0.082 2.752 13.514 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.567 3.892 14.057 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.427 3.169 12.910 1.00 0.00 C ATOM 0 H THR A 123 1.058 1.249 11.856 1.00 0.00 H new ATOM 0 HA THR A 123 -1.535 1.463 12.854 1.00 0.00 H new ATOM 0 HB THR A 123 0.241 2.024 14.309 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.006 4.285 14.758 1.00 0.00 H new ATOM 0 HG21 THR A 123 2.051 3.616 13.684 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.929 2.293 12.500 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.259 3.896 12.115 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.296 4.022 12.286 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.012 5.122 11.577 1.00 0.00 C ATOM 1530 C GLY A 124 -2.058 5.803 10.596 1.00 0.00 C ATOM 1531 O GLY A 124 -1.316 6.698 10.952 1.00 0.00 O ATOM 0 H GLY A 124 -2.483 3.959 13.287 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.875 4.724 11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.389 5.848 12.297 1.00 0.00 H new ATOM 1535 N PHE A 125 -2.067 5.379 9.363 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.160 5.990 8.352 1.00 0.00 C ATOM 1537 C PHE A 125 -1.182 7.513 8.495 1.00 0.00 C ATOM 1538 O PHE A 125 -2.249 8.088 8.358 1.00 0.00 O ATOM 1539 CB PHE A 125 -1.640 5.599 6.956 1.00 0.00 C ATOM 1540 CG PHE A 125 -0.454 5.289 6.074 1.00 0.00 C ATOM 1541 CD1 PHE A 125 0.322 6.331 5.554 1.00 0.00 C ATOM 1542 CD2 PHE A 125 -0.133 3.957 5.771 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.416 6.044 4.729 1.00 0.00 C ATOM 1544 CE2 PHE A 125 0.964 3.672 4.947 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.734 4.719 4.426 1.00 0.00 C ATOM 1546 OXT PHE A 125 -0.129 8.080 8.737 1.00 0.00 O ATOM 0 H PHE A 125 -2.666 4.632 9.011 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.142 5.633 8.506 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -2.296 4.731 7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.225 6.410 6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.077 7.356 5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -0.731 3.152 6.173 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.014 6.848 4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.215 2.648 4.714 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.577 4.501 3.787 1.00 0.00 H new TER 1556 PHE A 125