USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 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 61 GLN : amide:sc= -0.0236 K(o=-0.027,f=-1.2) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -179:sc=-0.00382 (180deg=0.0112) USER MOD Set 2.1: A 66 THR OG1 : rot 180:sc= -0.0881 USER MOD Set 2.2: A 69 GLN : amide:sc= -1.73 K(o=-1.8,f=-0.7) USER MOD Set 3.1: A 58 THR OG1 : rot -67:sc= 1.91 USER MOD Set 3.2: A 59 GLN : amide:sc= 0.875 K(o=2.8,f=-7!) USER MOD Set 4.1: A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 156:sc= -2 (180deg=-2.87!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -19:sc= 1.05 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.603 K(o=0.6,f=-5.6!) USER MOD Single : A 28 SER OG : rot 22:sc= 0.384 USER MOD Single : A 30 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.32) USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= 0.676 (180deg=0.362) USER MOD Single : A 39 THR OG1 : rot 78:sc= 0.998 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 43 THR OG1 : rot 77:sc= 1.12 USER MOD Single : A 55 CYS SG : rot 161:sc= -1.98 USER MOD Single : A 72 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 153:sc= -2.16! USER MOD Single : A 78 GLN : amide:sc= -0.633 K(o=-0.63,f=-0.072) USER MOD Single : A 86 THR OG1 : rot -101:sc= 0.63 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc=-0.00528 USER MOD Single : A 92 GLN : amide:sc= -0.223! C(o=-0.22!,f=-3.3!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.991 -4.557 6.611 1.00 0.00 N ATOM 2 CA MET A 1 6.626 -4.494 5.270 1.00 0.00 C ATOM 3 C MET A 1 7.161 -5.879 4.878 1.00 0.00 C ATOM 4 O MET A 1 7.920 -6.496 5.631 1.00 0.00 O ATOM 5 CB MET A 1 7.765 -3.425 5.239 1.00 0.00 C ATOM 6 CG MET A 1 8.536 -3.302 3.900 1.00 0.00 C ATOM 7 SD MET A 1 9.733 -4.635 3.644 1.00 0.00 S ATOM 8 CE MET A 1 10.401 -4.201 2.040 1.00 0.00 C ATOM 0 H1 MET A 1 5.631 -3.616 6.869 1.00 0.00 H new ATOM 0 H2 MET A 1 5.203 -5.235 6.590 1.00 0.00 H new ATOM 0 H3 MET A 1 6.694 -4.864 7.314 1.00 0.00 H new ATOM 0 HA MET A 1 5.873 -4.192 4.542 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.333 -2.453 5.479 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.479 -3.659 6.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.823 -3.299 3.076 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.056 -2.345 3.874 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.396 -4.633 1.931 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.749 -4.589 1.257 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.465 -3.116 1.954 1.00 0.00 H new ATOM 18 N LEU A 2 6.737 -6.352 3.697 1.00 0.00 N ATOM 19 CA LEU A 2 7.232 -7.596 3.077 1.00 0.00 C ATOM 20 C LEU A 2 7.766 -7.298 1.671 1.00 0.00 C ATOM 21 O LEU A 2 7.331 -6.331 1.036 1.00 0.00 O ATOM 22 CB LEU A 2 6.105 -8.681 3.086 1.00 0.00 C ATOM 23 CG LEU A 2 4.689 -8.285 2.523 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.631 -8.267 0.977 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.588 -9.201 3.103 1.00 0.00 C ATOM 0 H LEU A 2 6.031 -5.877 3.135 1.00 0.00 H new ATOM 0 HA LEU A 2 8.064 -8.000 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.463 -9.538 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.973 -9.016 4.115 1.00 0.00 H new ATOM 0 HG LEU A 2 4.505 -7.262 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.628 -7.987 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.351 -7.544 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.873 -9.258 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.620 -8.907 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.795 -10.236 2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.571 -9.107 4.189 1.00 0.00 H new ATOM 37 N LEU A 3 8.732 -8.102 1.203 1.00 0.00 N ATOM 38 CA LEU A 3 9.282 -7.993 -0.157 1.00 0.00 C ATOM 39 C LEU A 3 8.209 -8.403 -1.187 1.00 0.00 C ATOM 40 O LEU A 3 7.905 -9.596 -1.321 1.00 0.00 O ATOM 41 CB LEU A 3 10.540 -8.909 -0.305 1.00 0.00 C ATOM 42 CG LEU A 3 11.594 -8.844 0.852 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.763 -9.820 0.599 1.00 0.00 C ATOM 44 CD2 LEU A 3 12.102 -7.404 1.092 1.00 0.00 C ATOM 0 H LEU A 3 9.155 -8.847 1.757 1.00 0.00 H new ATOM 0 HA LEU A 3 9.577 -6.960 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.201 -9.941 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.042 -8.651 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 3 11.089 -9.159 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.478 -9.752 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.380 -10.838 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.258 -9.560 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.831 -7.406 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.571 -7.027 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.263 -6.762 1.360 1.00 0.00 H new ATOM 56 N HIS A 4 7.579 -7.407 -1.843 1.00 0.00 N ATOM 57 CA HIS A 4 6.643 -7.616 -2.977 1.00 0.00 C ATOM 58 C HIS A 4 7.169 -8.618 -4.048 1.00 0.00 C ATOM 59 O HIS A 4 6.360 -9.291 -4.707 1.00 0.00 O ATOM 60 CB HIS A 4 6.314 -6.238 -3.621 1.00 0.00 C ATOM 61 CG HIS A 4 5.343 -6.292 -4.780 1.00 0.00 C ATOM 62 ND1 HIS A 4 3.993 -6.522 -4.621 1.00 0.00 N ATOM 63 CD2 HIS A 4 5.543 -6.169 -6.119 1.00 0.00 C ATOM 64 CE1 HIS A 4 3.406 -6.536 -5.806 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.325 -6.323 -6.725 1.00 0.00 N ATOM 0 H HIS A 4 7.704 -6.424 -1.601 1.00 0.00 H new ATOM 0 HA HIS A 4 5.740 -8.074 -2.574 1.00 0.00 H new ATOM 0 HB2 HIS A 4 5.904 -5.583 -2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.243 -5.783 -3.965 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.486 -5.984 -6.612 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.353 -6.695 -5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.156 -6.280 -7.730 1.00 0.00 H new ATOM 74 N SER A 5 8.506 -8.727 -4.199 1.00 0.00 N ATOM 75 CA SER A 5 9.125 -9.672 -5.142 1.00 0.00 C ATOM 76 C SER A 5 10.632 -9.833 -4.847 1.00 0.00 C ATOM 77 O SER A 5 11.431 -8.956 -5.197 1.00 0.00 O ATOM 78 CB SER A 5 8.908 -9.210 -6.604 1.00 0.00 C ATOM 79 OG SER A 5 9.319 -10.210 -7.521 1.00 0.00 O ATOM 0 H SER A 5 9.178 -8.167 -3.675 1.00 0.00 H new ATOM 0 HA SER A 5 8.644 -10.641 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.855 -8.977 -6.763 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.468 -8.293 -6.786 1.00 0.00 H new ATOM 0 HG SER A 5 9.170 -9.895 -8.437 1.00 0.00 H new ATOM 85 N VAL A 6 11.016 -10.949 -4.187 1.00 0.00 N ATOM 86 CA VAL A 6 12.437 -11.313 -3.976 1.00 0.00 C ATOM 87 C VAL A 6 12.857 -12.370 -5.010 1.00 0.00 C ATOM 88 O VAL A 6 12.035 -13.186 -5.445 1.00 0.00 O ATOM 89 CB VAL A 6 12.719 -11.851 -2.510 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.047 -13.221 -2.239 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.248 -11.890 -2.192 1.00 0.00 C ATOM 0 H VAL A 6 10.357 -11.618 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 6 13.027 -10.405 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 6 12.259 -11.137 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.272 -13.542 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.968 -13.127 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.428 -13.959 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.400 -12.264 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.750 -12.548 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.662 -10.885 -2.274 1.00 0.00 H new ATOM 101 N GLU A 7 14.130 -12.339 -5.405 1.00 0.00 N ATOM 102 CA GLU A 7 14.730 -13.338 -6.291 1.00 0.00 C ATOM 103 C GLU A 7 15.580 -14.292 -5.454 1.00 0.00 C ATOM 104 O GLU A 7 16.669 -13.926 -4.996 1.00 0.00 O ATOM 105 CB GLU A 7 15.582 -12.642 -7.375 1.00 0.00 C ATOM 106 CG GLU A 7 14.759 -11.758 -8.318 1.00 0.00 C ATOM 107 CD GLU A 7 15.631 -11.039 -9.343 1.00 0.00 C ATOM 108 OE1 GLU A 7 16.090 -11.693 -10.302 1.00 0.00 O ATOM 109 OE2 GLU A 7 15.886 -9.827 -9.185 1.00 0.00 O ATOM 0 H GLU A 7 14.782 -11.610 -5.115 1.00 0.00 H new ATOM 0 HA GLU A 7 13.949 -13.907 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.346 -12.033 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.102 -13.400 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.022 -12.371 -8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.207 -11.022 -7.734 1.00 0.00 H new ATOM 116 N THR A 8 15.037 -15.487 -5.199 1.00 0.00 N ATOM 117 CA THR A 8 15.734 -16.558 -4.474 1.00 0.00 C ATOM 118 C THR A 8 16.457 -17.478 -5.494 1.00 0.00 C ATOM 119 O THR A 8 16.112 -17.446 -6.677 1.00 0.00 O ATOM 120 CB THR A 8 14.713 -17.385 -3.614 1.00 0.00 C ATOM 121 OG1 THR A 8 13.781 -18.070 -4.460 1.00 0.00 O ATOM 122 CG2 THR A 8 13.945 -16.476 -2.640 1.00 0.00 C ATOM 0 H THR A 8 14.094 -15.742 -5.492 1.00 0.00 H new ATOM 0 HA THR A 8 16.471 -16.121 -3.800 1.00 0.00 H new ATOM 0 HB THR A 8 15.283 -18.115 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.772 -17.649 -5.345 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.245 -17.076 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.649 -15.985 -1.968 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.395 -15.722 -3.203 1.00 0.00 H new ATOM 130 N PRO A 9 17.483 -18.298 -5.075 1.00 0.00 N ATOM 131 CA PRO A 9 18.143 -19.286 -5.979 1.00 0.00 C ATOM 132 C PRO A 9 17.145 -20.294 -6.621 1.00 0.00 C ATOM 133 O PRO A 9 17.403 -20.823 -7.701 1.00 0.00 O ATOM 134 CB PRO A 9 19.179 -20.001 -5.048 1.00 0.00 C ATOM 135 CG PRO A 9 18.777 -19.638 -3.645 1.00 0.00 C ATOM 136 CD PRO A 9 18.133 -18.278 -3.739 1.00 0.00 C ATOM 0 HA PRO A 9 18.604 -18.802 -6.840 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.159 -21.081 -5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.195 -19.669 -5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.083 -20.372 -3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.643 -19.615 -2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.407 -18.121 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.870 -17.478 -3.662 1.00 0.00 H new ATOM 144 N ARG A 10 15.994 -20.512 -5.954 1.00 0.00 N ATOM 145 CA ARG A 10 14.953 -21.476 -6.396 1.00 0.00 C ATOM 146 C ARG A 10 13.818 -20.798 -7.213 1.00 0.00 C ATOM 147 O ARG A 10 12.760 -21.407 -7.432 1.00 0.00 O ATOM 148 CB ARG A 10 14.385 -22.216 -5.150 1.00 0.00 C ATOM 149 CG ARG A 10 13.785 -21.295 -4.066 1.00 0.00 C ATOM 150 CD ARG A 10 13.397 -22.058 -2.791 1.00 0.00 C ATOM 151 NE ARG A 10 14.548 -22.796 -2.227 1.00 0.00 N ATOM 152 CZ ARG A 10 14.533 -23.515 -1.098 1.00 0.00 C ATOM 153 NH1 ARG A 10 13.434 -23.599 -0.360 1.00 0.00 N ATOM 154 NH2 ARG A 10 15.627 -24.158 -0.723 1.00 0.00 N ATOM 0 H ARG A 10 15.755 -20.025 -5.090 1.00 0.00 H new ATOM 0 HA ARG A 10 15.418 -22.195 -7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.616 -22.914 -5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.183 -22.808 -4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.507 -20.518 -3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.904 -20.794 -4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.014 -21.357 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.591 -22.756 -3.015 1.00 0.00 H new ATOM 0 HE ARG A 10 15.428 -22.753 -2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.586 -23.112 -0.651 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.437 -24.151 0.498 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.471 -24.103 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.626 -24.709 0.136 1.00 0.00 H new ATOM 168 N GLY A 11 14.053 -19.554 -7.679 1.00 0.00 N ATOM 169 CA GLY A 11 13.091 -18.825 -8.529 1.00 0.00 C ATOM 170 C GLY A 11 12.726 -17.455 -7.979 1.00 0.00 C ATOM 171 O GLY A 11 13.291 -17.007 -6.980 1.00 0.00 O ATOM 0 H GLY A 11 14.906 -19.032 -7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.513 -18.708 -9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.184 -19.421 -8.634 1.00 0.00 H new ATOM 175 N GLU A 12 11.772 -16.778 -8.637 1.00 0.00 N ATOM 176 CA GLU A 12 11.252 -15.482 -8.167 1.00 0.00 C ATOM 177 C GLU A 12 10.006 -15.752 -7.302 1.00 0.00 C ATOM 178 O GLU A 12 9.185 -16.616 -7.646 1.00 0.00 O ATOM 179 CB GLU A 12 10.918 -14.543 -9.360 1.00 0.00 C ATOM 180 CG GLU A 12 10.469 -13.125 -8.942 1.00 0.00 C ATOM 181 CD GLU A 12 10.141 -12.212 -10.136 1.00 0.00 C ATOM 182 OE1 GLU A 12 8.984 -12.245 -10.616 1.00 0.00 O ATOM 183 OE2 GLU A 12 11.035 -11.469 -10.605 1.00 0.00 O ATOM 0 H GLU A 12 11.342 -17.108 -9.501 1.00 0.00 H new ATOM 0 HA GLU A 12 12.011 -14.972 -7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.797 -14.460 -10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.130 -15.000 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.590 -13.204 -8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.256 -12.663 -8.346 1.00 0.00 H new ATOM 190 N ILE A 13 9.880 -15.027 -6.180 1.00 0.00 N ATOM 191 CA ILE A 13 8.813 -15.227 -5.178 1.00 0.00 C ATOM 192 C ILE A 13 8.080 -13.886 -4.961 1.00 0.00 C ATOM 193 O ILE A 13 8.713 -12.888 -4.608 1.00 0.00 O ATOM 194 CB ILE A 13 9.408 -15.737 -3.803 1.00 0.00 C ATOM 195 CG1 ILE A 13 10.354 -16.971 -3.991 1.00 0.00 C ATOM 196 CG2 ILE A 13 8.284 -16.064 -2.794 1.00 0.00 C ATOM 197 CD1 ILE A 13 9.689 -18.222 -4.532 1.00 0.00 C ATOM 0 H ILE A 13 10.524 -14.274 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 13 8.121 -15.984 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 13 10.009 -14.922 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.162 -16.689 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.809 -17.208 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.724 -16.412 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.692 -15.168 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.642 -16.843 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.429 -19.017 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.900 -18.539 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.259 -18.011 -5.511 1.00 0.00 H new ATOM 209 N LEU A 14 6.754 -13.877 -5.173 1.00 0.00 N ATOM 210 CA LEU A 14 5.914 -12.672 -5.035 1.00 0.00 C ATOM 211 C LEU A 14 5.253 -12.620 -3.643 1.00 0.00 C ATOM 212 O LEU A 14 4.595 -13.581 -3.234 1.00 0.00 O ATOM 213 CB LEU A 14 4.827 -12.665 -6.144 1.00 0.00 C ATOM 214 CG LEU A 14 5.343 -12.554 -7.615 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.192 -12.771 -8.629 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.057 -11.203 -7.853 1.00 0.00 C ATOM 0 H LEU A 14 6.230 -14.708 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 14 6.547 -11.791 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.241 -13.579 -6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.150 -11.832 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 14 6.074 -13.346 -7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.581 -12.688 -9.644 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.762 -13.762 -8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.422 -12.016 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.406 -11.153 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.361 -10.386 -7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.908 -11.117 -7.178 1.00 0.00 H new ATOM 228 N ASN A 15 5.449 -11.474 -2.950 1.00 0.00 N ATOM 229 CA ASN A 15 4.797 -11.122 -1.669 1.00 0.00 C ATOM 230 C ASN A 15 5.207 -12.085 -0.547 1.00 0.00 C ATOM 231 O ASN A 15 4.496 -13.042 -0.227 1.00 0.00 O ATOM 232 CB ASN A 15 3.254 -11.016 -1.810 1.00 0.00 C ATOM 233 CG ASN A 15 2.834 -9.950 -2.832 1.00 0.00 C ATOM 234 OD1 ASN A 15 2.688 -8.780 -2.499 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.646 -10.343 -4.085 1.00 0.00 N ATOM 0 H ASN A 15 6.085 -10.747 -3.278 1.00 0.00 H new ATOM 0 HA ASN A 15 5.152 -10.130 -1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.852 -11.983 -2.111 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.818 -10.778 -0.840 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.374 -9.665 -4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.774 -11.323 -4.337 1.00 0.00 H new ATOM 242 N VAL A 16 6.394 -11.825 0.006 1.00 0.00 N ATOM 243 CA VAL A 16 7.012 -12.630 1.066 1.00 0.00 C ATOM 244 C VAL A 16 7.883 -11.710 1.941 1.00 0.00 C ATOM 245 O VAL A 16 8.570 -10.837 1.422 1.00 0.00 O ATOM 246 CB VAL A 16 7.879 -13.801 0.448 1.00 0.00 C ATOM 247 CG1 VAL A 16 8.936 -13.265 -0.540 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.544 -14.653 1.552 1.00 0.00 C ATOM 0 H VAL A 16 6.967 -11.030 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 16 6.234 -13.086 1.678 1.00 0.00 H new ATOM 0 HB VAL A 16 7.198 -14.444 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.512 -14.098 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.439 -12.739 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.605 -12.579 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.132 -15.448 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.196 -14.022 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.774 -15.091 2.187 1.00 0.00 H new ATOM 258 N SER A 17 7.836 -11.883 3.266 1.00 0.00 N ATOM 259 CA SER A 17 8.704 -11.145 4.184 1.00 0.00 C ATOM 260 C SER A 17 10.148 -11.614 4.020 1.00 0.00 C ATOM 261 O SER A 17 10.382 -12.769 3.700 1.00 0.00 O ATOM 262 CB SER A 17 8.225 -11.354 5.623 1.00 0.00 C ATOM 263 OG SER A 17 6.878 -10.916 5.781 1.00 0.00 O ATOM 0 H SER A 17 7.200 -12.533 3.728 1.00 0.00 H new ATOM 0 HA SER A 17 8.660 -10.081 3.954 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.301 -12.409 5.886 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.872 -10.807 6.309 1.00 0.00 H new ATOM 0 HG SER A 17 6.593 -11.061 6.707 1.00 0.00 H new ATOM 269 N GLU A 18 11.085 -10.700 4.222 1.00 0.00 N ATOM 270 CA GLU A 18 12.533 -10.980 4.141 1.00 0.00 C ATOM 271 C GLU A 18 12.972 -12.090 5.110 1.00 0.00 C ATOM 272 O GLU A 18 13.832 -12.894 4.768 1.00 0.00 O ATOM 273 CB GLU A 18 13.377 -9.678 4.337 1.00 0.00 C ATOM 274 CG GLU A 18 12.699 -8.484 5.027 1.00 0.00 C ATOM 275 CD GLU A 18 12.305 -8.738 6.497 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.202 -9.282 6.751 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.096 -8.401 7.399 1.00 0.00 O ATOM 0 H GLU A 18 10.872 -9.729 4.450 1.00 0.00 H new ATOM 0 HA GLU A 18 12.726 -11.353 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.265 -9.938 4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.718 -9.349 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.371 -7.627 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.805 -8.215 4.465 1.00 0.00 H new ATOM 284 N GLN A 19 12.359 -12.124 6.298 1.00 0.00 N ATOM 285 CA GLN A 19 12.632 -13.156 7.309 1.00 0.00 C ATOM 286 C GLN A 19 12.204 -14.552 6.810 1.00 0.00 C ATOM 287 O GLN A 19 12.939 -15.523 6.984 1.00 0.00 O ATOM 288 CB GLN A 19 11.932 -12.795 8.639 1.00 0.00 C ATOM 289 CG GLN A 19 12.448 -11.508 9.320 1.00 0.00 C ATOM 290 CD GLN A 19 13.919 -11.588 9.739 1.00 0.00 C ATOM 291 OE1 GLN A 19 14.823 -11.219 8.988 1.00 0.00 O ATOM 292 NE2 GLN A 19 14.168 -12.088 10.939 1.00 0.00 N ATOM 0 H GLN A 19 11.661 -11.439 6.587 1.00 0.00 H new ATOM 0 HA GLN A 19 13.707 -13.192 7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.864 -12.686 8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.051 -13.628 9.332 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.318 -10.668 8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.838 -11.302 10.200 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.397 -12.385 11.538 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.130 -12.176 11.265 1.00 0.00 H new ATOM 301 N GLU A 20 11.023 -14.638 6.160 1.00 0.00 N ATOM 302 CA GLU A 20 10.529 -15.899 5.561 1.00 0.00 C ATOM 303 C GLU A 20 11.401 -16.300 4.353 1.00 0.00 C ATOM 304 O GLU A 20 11.721 -17.479 4.168 1.00 0.00 O ATOM 305 CB GLU A 20 9.038 -15.761 5.146 1.00 0.00 C ATOM 306 CG GLU A 20 8.461 -17.015 4.451 1.00 0.00 C ATOM 307 CD GLU A 20 6.932 -16.997 4.310 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.237 -17.116 5.344 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.413 -16.844 3.186 1.00 0.00 O ATOM 0 H GLU A 20 10.392 -13.847 6.036 1.00 0.00 H new ATOM 0 HA GLU A 20 10.600 -16.688 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.443 -15.544 6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.935 -14.907 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.907 -17.108 3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.754 -17.900 5.016 1.00 0.00 H new ATOM 316 N ALA A 21 11.751 -15.292 3.533 1.00 0.00 N ATOM 317 CA ALA A 21 12.726 -15.424 2.433 1.00 0.00 C ATOM 318 C ALA A 21 14.037 -16.089 2.920 1.00 0.00 C ATOM 319 O ALA A 21 14.598 -16.911 2.223 1.00 0.00 O ATOM 320 CB ALA A 21 12.999 -14.048 1.790 1.00 0.00 C ATOM 0 H ALA A 21 11.361 -14.353 3.616 1.00 0.00 H new ATOM 0 HA ALA A 21 12.297 -16.076 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.720 -14.161 0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.069 -13.641 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.401 -13.369 2.541 1.00 0.00 H new ATOM 326 N ARG A 22 14.462 -15.756 4.150 1.00 0.00 N ATOM 327 CA ARG A 22 15.655 -16.356 4.798 1.00 0.00 C ATOM 328 C ARG A 22 15.401 -17.823 5.225 1.00 0.00 C ATOM 329 O ARG A 22 16.195 -18.710 4.906 1.00 0.00 O ATOM 330 CB ARG A 22 16.070 -15.526 6.046 1.00 0.00 C ATOM 331 CG ARG A 22 16.545 -14.095 5.743 1.00 0.00 C ATOM 332 CD ARG A 22 16.738 -13.241 7.008 1.00 0.00 C ATOM 333 NE ARG A 22 17.743 -13.815 7.917 1.00 0.00 N ATOM 334 CZ ARG A 22 18.000 -13.393 9.160 1.00 0.00 C ATOM 335 NH1 ARG A 22 17.344 -12.370 9.692 1.00 0.00 N ATOM 336 NH2 ARG A 22 18.915 -14.024 9.881 1.00 0.00 N ATOM 0 H ARG A 22 13.991 -15.062 4.730 1.00 0.00 H new ATOM 0 HA ARG A 22 16.459 -16.345 4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.222 -15.475 6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.868 -16.055 6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.486 -14.140 5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.820 -13.608 5.091 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.042 -12.234 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 22 15.786 -13.150 7.532 1.00 0.00 H new ATOM 0 HE ARG A 22 18.291 -14.602 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 22 16.626 -11.888 9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.557 -12.066 10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.414 -14.822 9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 22 19.120 -13.712 10.830 1.00 0.00 H new ATOM 350 N ASP A 23 14.277 -18.060 5.939 1.00 0.00 N ATOM 351 CA ASP A 23 14.009 -19.354 6.624 1.00 0.00 C ATOM 352 C ASP A 23 13.589 -20.440 5.628 1.00 0.00 C ATOM 353 O ASP A 23 14.242 -21.480 5.526 1.00 0.00 O ATOM 354 CB ASP A 23 12.916 -19.194 7.730 1.00 0.00 C ATOM 355 CG ASP A 23 13.394 -18.394 8.955 1.00 0.00 C ATOM 356 OD1 ASP A 23 14.292 -18.882 9.681 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.893 -17.278 9.199 1.00 0.00 O ATOM 0 H ASP A 23 13.535 -17.371 6.059 1.00 0.00 H new ATOM 0 HA ASP A 23 14.941 -19.663 7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.045 -18.699 7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.592 -20.183 8.055 1.00 0.00 H new ATOM 362 N VAL A 24 12.495 -20.189 4.905 1.00 0.00 N ATOM 363 CA VAL A 24 11.894 -21.166 3.977 1.00 0.00 C ATOM 364 C VAL A 24 12.701 -21.263 2.667 1.00 0.00 C ATOM 365 O VAL A 24 13.093 -22.356 2.246 1.00 0.00 O ATOM 366 CB VAL A 24 10.400 -20.782 3.649 1.00 0.00 C ATOM 367 CG1 VAL A 24 9.741 -21.795 2.667 1.00 0.00 C ATOM 368 CG2 VAL A 24 9.569 -20.628 4.948 1.00 0.00 C ATOM 0 H VAL A 24 11.995 -19.301 4.943 1.00 0.00 H new ATOM 0 HA VAL A 24 11.913 -22.137 4.471 1.00 0.00 H new ATOM 0 HB VAL A 24 10.415 -19.816 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.713 -21.493 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.301 -21.813 1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.747 -22.790 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.543 -20.363 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.575 -21.569 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.004 -19.843 5.567 1.00 0.00 H new ATOM 378 N PHE A 25 12.956 -20.101 2.055 1.00 0.00 N ATOM 379 CA PHE A 25 13.470 -20.008 0.672 1.00 0.00 C ATOM 380 C PHE A 25 15.011 -19.961 0.628 1.00 0.00 C ATOM 381 O PHE A 25 15.615 -20.417 -0.351 1.00 0.00 O ATOM 382 CB PHE A 25 12.857 -18.760 -0.014 1.00 0.00 C ATOM 383 CG PHE A 25 11.324 -18.763 -0.037 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.629 -19.415 -1.049 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.587 -18.123 0.959 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.245 -19.443 -1.055 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.206 -18.150 0.946 1.00 0.00 C ATOM 388 CZ PHE A 25 8.537 -18.804 -0.062 1.00 0.00 C ATOM 0 H PHE A 25 12.814 -19.194 2.500 1.00 0.00 H new ATOM 0 HA PHE A 25 13.172 -20.907 0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.203 -17.865 0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.227 -18.700 -1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.176 -19.906 -1.841 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.103 -17.600 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.720 -19.967 -1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.650 -17.656 1.729 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.457 -18.816 -0.075 1.00 0.00 H new ATOM 398 N GLY A 26 15.625 -19.403 1.688 1.00 0.00 N ATOM 399 CA GLY A 26 17.079 -19.248 1.766 1.00 0.00 C ATOM 400 C GLY A 26 17.623 -18.253 0.741 1.00 0.00 C ATOM 401 O GLY A 26 18.510 -18.587 -0.056 1.00 0.00 O ATOM 0 H GLY A 26 15.127 -19.051 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.351 -18.916 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.552 -20.218 1.611 1.00 0.00 H new ATOM 405 N ALA A 27 17.063 -17.034 0.771 1.00 0.00 N ATOM 406 CA ALA A 27 17.437 -15.934 -0.127 1.00 0.00 C ATOM 407 C ALA A 27 18.758 -15.312 0.323 1.00 0.00 C ATOM 408 O ALA A 27 19.135 -15.411 1.499 1.00 0.00 O ATOM 409 CB ALA A 27 16.322 -14.874 -0.167 1.00 0.00 C ATOM 0 H ALA A 27 16.327 -16.782 1.430 1.00 0.00 H new ATOM 0 HA ALA A 27 17.568 -16.331 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.613 -14.065 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.400 -15.329 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.162 -14.476 0.835 1.00 0.00 H new ATOM 415 N SER A 28 19.439 -14.663 -0.618 1.00 0.00 N ATOM 416 CA SER A 28 20.697 -13.972 -0.349 1.00 0.00 C ATOM 417 C SER A 28 20.406 -12.663 0.389 1.00 0.00 C ATOM 418 O SER A 28 19.428 -11.977 0.077 1.00 0.00 O ATOM 419 CB SER A 28 21.450 -13.685 -1.665 1.00 0.00 C ATOM 420 OG SER A 28 22.627 -12.915 -1.447 1.00 0.00 O ATOM 0 H SER A 28 19.134 -14.601 -1.589 1.00 0.00 H new ATOM 0 HA SER A 28 21.328 -14.608 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 28 21.716 -14.627 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 28 20.791 -13.154 -2.352 1.00 0.00 H new ATOM 0 HG SER A 28 22.912 -13.011 -0.514 1.00 0.00 H new ATOM 426 N GLU A 29 21.292 -12.313 1.321 1.00 0.00 N ATOM 427 CA GLU A 29 21.197 -11.069 2.114 1.00 0.00 C ATOM 428 C GLU A 29 21.321 -9.824 1.188 1.00 0.00 C ATOM 429 O GLU A 29 20.774 -8.752 1.479 1.00 0.00 O ATOM 430 CB GLU A 29 22.268 -11.051 3.249 1.00 0.00 C ATOM 431 CG GLU A 29 23.754 -10.955 2.807 1.00 0.00 C ATOM 432 CD GLU A 29 24.269 -12.199 2.078 1.00 0.00 C ATOM 433 OE1 GLU A 29 24.641 -13.185 2.749 1.00 0.00 O ATOM 434 OE2 GLU A 29 24.255 -12.222 0.830 1.00 0.00 O ATOM 0 H GLU A 29 22.105 -12.883 1.555 1.00 0.00 H new ATOM 0 HA GLU A 29 20.217 -11.033 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 29 22.053 -10.208 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.148 -11.956 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 29 23.873 -10.089 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 29 24.373 -10.780 3.687 1.00 0.00 H new ATOM 441 N GLN A 30 22.034 -10.012 0.062 1.00 0.00 N ATOM 442 CA GLN A 30 22.179 -9.005 -1.004 1.00 0.00 C ATOM 443 C GLN A 30 20.892 -8.930 -1.846 1.00 0.00 C ATOM 444 O GLN A 30 20.475 -7.843 -2.255 1.00 0.00 O ATOM 445 CB GLN A 30 23.398 -9.347 -1.904 1.00 0.00 C ATOM 446 CG GLN A 30 24.753 -9.370 -1.165 1.00 0.00 C ATOM 447 CD GLN A 30 25.128 -8.022 -0.535 1.00 0.00 C ATOM 448 OE1 GLN A 30 24.788 -7.742 0.617 1.00 0.00 O ATOM 449 NE2 GLN A 30 25.824 -7.173 -1.285 1.00 0.00 N ATOM 0 H GLN A 30 22.532 -10.880 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 30 22.349 -8.031 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 30 23.232 -10.322 -2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.452 -8.618 -2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.720 -10.130 -0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.535 -9.665 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.091 -7.432 -2.235 1.00 0.00 H new ATOM 0 HE22 GLN A 30 26.091 -6.262 -0.911 1.00 0.00 H new ATOM 458 N ALA A 31 20.247 -10.095 -2.063 1.00 0.00 N ATOM 459 CA ALA A 31 18.989 -10.205 -2.839 1.00 0.00 C ATOM 460 C ALA A 31 17.798 -9.681 -2.024 1.00 0.00 C ATOM 461 O ALA A 31 16.777 -9.274 -2.591 1.00 0.00 O ATOM 462 CB ALA A 31 18.734 -11.654 -3.275 1.00 0.00 C ATOM 0 H ALA A 31 20.583 -10.989 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 31 19.097 -9.591 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.805 -11.705 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.559 -11.997 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.657 -12.291 -2.394 1.00 0.00 H new ATOM 468 N ILE A 32 17.952 -9.664 -0.686 1.00 0.00 N ATOM 469 CA ILE A 32 16.886 -9.229 0.224 1.00 0.00 C ATOM 470 C ILE A 32 16.910 -7.700 0.263 1.00 0.00 C ATOM 471 O ILE A 32 15.879 -7.066 0.116 1.00 0.00 O ATOM 472 CB ILE A 32 17.094 -9.843 1.658 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.736 -11.363 1.644 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.309 -9.075 2.753 1.00 0.00 C ATOM 475 CD1 ILE A 32 17.152 -12.123 2.892 1.00 0.00 C ATOM 0 H ILE A 32 18.810 -9.949 -0.214 1.00 0.00 H new ATOM 0 HA ILE A 32 15.915 -9.577 -0.128 1.00 0.00 H new ATOM 0 HB ILE A 32 18.147 -9.736 1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.659 -11.468 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.209 -11.826 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.488 -9.540 3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.644 -8.038 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.243 -9.107 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.863 -13.170 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 32 18.233 -12.055 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 32 16.659 -11.691 3.763 1.00 0.00 H new ATOM 487 N ALA A 33 18.114 -7.142 0.533 1.00 0.00 N ATOM 488 CA ALA A 33 18.426 -5.703 0.356 1.00 0.00 C ATOM 489 C ALA A 33 17.907 -5.134 -0.984 1.00 0.00 C ATOM 490 O ALA A 33 17.318 -4.055 -1.004 1.00 0.00 O ATOM 491 CB ALA A 33 19.945 -5.485 0.473 1.00 0.00 C ATOM 0 H ALA A 33 18.904 -7.683 0.883 1.00 0.00 H new ATOM 0 HA ALA A 33 17.907 -5.161 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.172 -4.427 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.285 -5.810 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.456 -6.063 -0.297 1.00 0.00 H new ATOM 497 N ASP A 34 18.166 -5.858 -2.090 1.00 0.00 N ATOM 498 CA ASP A 34 17.671 -5.500 -3.444 1.00 0.00 C ATOM 499 C ASP A 34 16.130 -5.384 -3.480 1.00 0.00 C ATOM 500 O ASP A 34 15.582 -4.369 -3.919 1.00 0.00 O ATOM 501 CB ASP A 34 18.147 -6.555 -4.477 1.00 0.00 C ATOM 502 CG ASP A 34 17.760 -6.225 -5.932 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.295 -5.243 -6.493 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.926 -6.946 -6.528 1.00 0.00 O ATOM 0 H ASP A 34 18.725 -6.711 -2.075 1.00 0.00 H new ATOM 0 HA ASP A 34 18.083 -4.524 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.231 -6.649 -4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.727 -7.525 -4.211 1.00 0.00 H new ATOM 509 N ALA A 35 15.457 -6.441 -2.996 1.00 0.00 N ATOM 510 CA ALA A 35 13.979 -6.533 -2.986 1.00 0.00 C ATOM 511 C ALA A 35 13.348 -5.538 -1.990 1.00 0.00 C ATOM 512 O ALA A 35 12.224 -5.095 -2.181 1.00 0.00 O ATOM 513 CB ALA A 35 13.546 -7.966 -2.654 1.00 0.00 C ATOM 0 H ALA A 35 15.919 -7.259 -2.599 1.00 0.00 H new ATOM 0 HA ALA A 35 13.622 -6.268 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.458 -8.025 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.943 -8.649 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.929 -8.244 -1.672 1.00 0.00 H new ATOM 519 N ARG A 36 14.087 -5.226 -0.919 1.00 0.00 N ATOM 520 CA ARG A 36 13.665 -4.266 0.118 1.00 0.00 C ATOM 521 C ARG A 36 13.703 -2.853 -0.458 1.00 0.00 C ATOM 522 O ARG A 36 12.756 -2.092 -0.308 1.00 0.00 O ATOM 523 CB ARG A 36 14.565 -4.370 1.377 1.00 0.00 C ATOM 524 CG ARG A 36 14.097 -3.521 2.586 1.00 0.00 C ATOM 525 CD ARG A 36 15.045 -3.651 3.791 1.00 0.00 C ATOM 526 NE ARG A 36 16.410 -3.208 3.461 1.00 0.00 N ATOM 527 CZ ARG A 36 17.544 -3.848 3.779 1.00 0.00 C ATOM 528 NH1 ARG A 36 17.529 -4.977 4.482 1.00 0.00 N ATOM 529 NH2 ARG A 36 18.698 -3.350 3.380 1.00 0.00 N ATOM 0 H ARG A 36 15.005 -5.635 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 36 12.646 -4.503 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.616 -5.415 1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.577 -4.066 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.032 -2.474 2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.094 -3.832 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.661 -3.059 4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.070 -4.689 4.124 1.00 0.00 H new ATOM 0 HE ARG A 36 16.501 -2.334 2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.642 -5.374 4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.405 -5.446 4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.720 -2.487 2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.568 -3.827 3.615 1.00 0.00 H new ATOM 543 N LYS A 37 14.815 -2.555 -1.145 1.00 0.00 N ATOM 544 CA LYS A 37 15.011 -1.316 -1.916 1.00 0.00 C ATOM 545 C LYS A 37 13.896 -1.133 -2.951 1.00 0.00 C ATOM 546 O LYS A 37 13.366 -0.043 -3.104 1.00 0.00 O ATOM 547 CB LYS A 37 16.388 -1.369 -2.641 1.00 0.00 C ATOM 548 CG LYS A 37 16.647 -0.269 -3.714 1.00 0.00 C ATOM 549 CD LYS A 37 17.799 -0.642 -4.680 1.00 0.00 C ATOM 550 CE LYS A 37 17.546 -1.973 -5.420 1.00 0.00 C ATOM 551 NZ LYS A 37 18.629 -2.301 -6.368 1.00 0.00 N ATOM 0 H LYS A 37 15.620 -3.180 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 37 14.985 -0.472 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.174 -1.304 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.485 -2.343 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.735 -0.104 -4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.885 0.671 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.929 0.157 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.730 -0.714 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.447 -2.778 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.600 -1.913 -5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.649 -3.328 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.462 -1.810 -7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.541 -1.996 -5.972 1.00 0.00 H new ATOM 565 N ALA A 38 13.509 -2.242 -3.593 1.00 0.00 N ATOM 566 CA ALA A 38 12.617 -2.224 -4.755 1.00 0.00 C ATOM 567 C ALA A 38 11.154 -2.068 -4.302 1.00 0.00 C ATOM 568 O ALA A 38 10.388 -1.312 -4.909 1.00 0.00 O ATOM 569 CB ALA A 38 12.816 -3.512 -5.570 1.00 0.00 C ATOM 0 H ALA A 38 13.807 -3.178 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 38 12.858 -1.371 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.153 -3.501 -6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.851 -3.573 -5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.585 -4.376 -4.947 1.00 0.00 H new ATOM 575 N THR A 39 10.799 -2.766 -3.191 1.00 0.00 N ATOM 576 CA THR A 39 9.451 -2.732 -2.613 1.00 0.00 C ATOM 577 C THR A 39 9.179 -1.343 -2.030 1.00 0.00 C ATOM 578 O THR A 39 8.145 -0.768 -2.312 1.00 0.00 O ATOM 579 CB THR A 39 9.250 -3.824 -1.506 1.00 0.00 C ATOM 580 OG1 THR A 39 9.397 -5.132 -2.070 1.00 0.00 O ATOM 581 CG2 THR A 39 7.869 -3.730 -0.829 1.00 0.00 C ATOM 0 H THR A 39 11.447 -3.365 -2.679 1.00 0.00 H new ATOM 0 HA THR A 39 8.743 -2.949 -3.413 1.00 0.00 H new ATOM 0 HB THR A 39 10.013 -3.645 -0.748 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.349 -5.328 -2.198 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.782 -4.508 -0.071 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.760 -2.752 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.087 -3.863 -1.577 1.00 0.00 H new ATOM 589 N ILE A 40 10.146 -0.807 -1.252 1.00 0.00 N ATOM 590 CA ILE A 40 10.034 0.533 -0.625 1.00 0.00 C ATOM 591 C ILE A 40 9.945 1.624 -1.709 1.00 0.00 C ATOM 592 O ILE A 40 9.011 2.412 -1.696 1.00 0.00 O ATOM 593 CB ILE A 40 11.217 0.827 0.385 1.00 0.00 C ATOM 594 CG1 ILE A 40 11.160 -0.156 1.602 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.209 2.300 0.865 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.898 -0.054 2.452 1.00 0.00 C ATOM 0 H ILE A 40 11.021 -1.286 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 40 9.115 0.544 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 40 12.154 0.664 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.248 -1.177 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.025 0.027 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.036 2.462 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.319 2.963 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.267 2.513 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.951 -0.773 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.814 0.953 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.025 -0.269 1.835 1.00 0.00 H new ATOM 608 N LEU A 41 10.884 1.599 -2.673 1.00 0.00 N ATOM 609 CA LEU A 41 10.926 2.552 -3.828 1.00 0.00 C ATOM 610 C LEU A 41 9.594 2.563 -4.615 1.00 0.00 C ATOM 611 O LEU A 41 9.168 3.606 -5.130 1.00 0.00 O ATOM 612 CB LEU A 41 12.177 2.232 -4.734 1.00 0.00 C ATOM 613 CG LEU A 41 12.147 2.621 -6.268 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.558 3.017 -6.781 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.571 1.463 -7.132 1.00 0.00 C ATOM 0 H LEU A 41 11.644 0.919 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 41 11.043 3.567 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.039 2.728 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.359 1.159 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 41 11.491 3.486 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.501 3.278 -7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.924 3.874 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 41 14.241 2.178 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.563 1.760 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.192 0.575 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.554 1.241 -6.811 1.00 0.00 H new ATOM 627 N GLN A 42 8.920 1.400 -4.647 1.00 0.00 N ATOM 628 CA GLN A 42 7.617 1.232 -5.311 1.00 0.00 C ATOM 629 C GLN A 42 6.489 1.768 -4.386 1.00 0.00 C ATOM 630 O GLN A 42 5.584 2.475 -4.836 1.00 0.00 O ATOM 631 CB GLN A 42 7.419 -0.273 -5.659 1.00 0.00 C ATOM 632 CG GLN A 42 6.059 -0.634 -6.283 1.00 0.00 C ATOM 633 CD GLN A 42 5.970 -2.071 -6.824 1.00 0.00 C ATOM 634 OE1 GLN A 42 6.954 -2.633 -7.312 1.00 0.00 O ATOM 635 NE2 GLN A 42 4.787 -2.674 -6.740 1.00 0.00 N ATOM 0 H GLN A 42 9.267 0.546 -4.210 1.00 0.00 H new ATOM 0 HA GLN A 42 7.581 1.804 -6.238 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.207 -0.576 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.549 -0.859 -4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.280 -0.492 -5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.850 0.061 -7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.992 -2.183 -6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.675 -3.628 -7.084 1.00 0.00 H new ATOM 644 N THR A 43 6.624 1.455 -3.081 1.00 0.00 N ATOM 645 CA THR A 43 5.665 1.802 -2.005 1.00 0.00 C ATOM 646 C THR A 43 5.502 3.326 -1.850 1.00 0.00 C ATOM 647 O THR A 43 4.382 3.818 -1.686 1.00 0.00 O ATOM 648 CB THR A 43 6.128 1.138 -0.646 1.00 0.00 C ATOM 649 OG1 THR A 43 5.959 -0.288 -0.715 1.00 0.00 O ATOM 650 CG2 THR A 43 5.401 1.664 0.607 1.00 0.00 C ATOM 0 H THR A 43 7.430 0.936 -2.733 1.00 0.00 H new ATOM 0 HA THR A 43 4.686 1.408 -2.280 1.00 0.00 H new ATOM 0 HB THR A 43 7.177 1.413 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.679 -0.677 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.783 1.153 1.491 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.574 2.736 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.331 1.476 0.513 1.00 0.00 H new ATOM 658 N LEU A 44 6.619 4.068 -1.961 1.00 0.00 N ATOM 659 CA LEU A 44 6.630 5.541 -1.774 1.00 0.00 C ATOM 660 C LEU A 44 5.757 6.228 -2.841 1.00 0.00 C ATOM 661 O LEU A 44 5.148 7.261 -2.576 1.00 0.00 O ATOM 662 CB LEU A 44 8.072 6.122 -1.841 1.00 0.00 C ATOM 663 CG LEU A 44 9.171 5.407 -0.993 1.00 0.00 C ATOM 664 CD1 LEU A 44 10.485 6.201 -0.998 1.00 0.00 C ATOM 665 CD2 LEU A 44 8.690 5.091 0.438 1.00 0.00 C ATOM 0 H LEU A 44 7.534 3.674 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 44 6.224 5.740 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.391 6.114 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.030 7.165 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 44 9.370 4.447 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.229 5.677 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.847 6.299 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.313 7.192 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.489 4.594 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.422 6.018 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.819 4.437 0.393 1.00 0.00 H new ATOM 677 N ARG A 45 5.715 5.611 -4.040 1.00 0.00 N ATOM 678 CA ARG A 45 4.983 6.132 -5.209 1.00 0.00 C ATOM 679 C ARG A 45 3.502 5.670 -5.205 1.00 0.00 C ATOM 680 O ARG A 45 2.617 6.405 -5.666 1.00 0.00 O ATOM 681 CB ARG A 45 5.700 5.670 -6.507 1.00 0.00 C ATOM 682 CG ARG A 45 5.167 6.296 -7.816 1.00 0.00 C ATOM 683 CD ARG A 45 5.311 7.829 -7.836 1.00 0.00 C ATOM 684 NE ARG A 45 4.881 8.408 -9.116 1.00 0.00 N ATOM 685 CZ ARG A 45 4.818 9.713 -9.404 1.00 0.00 C ATOM 686 NH1 ARG A 45 5.143 10.632 -8.498 1.00 0.00 N ATOM 687 NH2 ARG A 45 4.422 10.083 -10.608 1.00 0.00 N ATOM 0 H ARG A 45 6.193 4.729 -4.224 1.00 0.00 H new ATOM 0 HA ARG A 45 4.979 7.221 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.761 5.903 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.617 4.586 -6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.706 5.872 -8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.117 6.031 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.720 8.259 -7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.351 8.097 -7.648 1.00 0.00 H new ATOM 0 HE ARG A 45 4.606 7.757 -9.851 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.446 10.346 -7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.089 11.623 -8.735 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.170 9.378 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.368 11.074 -10.845 1.00 0.00 H new ATOM 701 N ILE A 46 3.243 4.457 -4.671 1.00 0.00 N ATOM 702 CA ILE A 46 1.888 3.855 -4.656 1.00 0.00 C ATOM 703 C ILE A 46 1.027 4.427 -3.510 1.00 0.00 C ATOM 704 O ILE A 46 -0.003 5.046 -3.778 1.00 0.00 O ATOM 705 CB ILE A 46 1.960 2.275 -4.565 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.588 1.682 -5.869 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.575 1.641 -4.268 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.582 0.164 -5.959 1.00 0.00 C ATOM 0 H ILE A 46 3.958 3.870 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 46 1.409 4.118 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 46 2.605 2.023 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.049 2.083 -6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.618 2.031 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.675 0.557 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.199 2.018 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.123 1.902 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.038 -0.147 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.148 -0.252 -5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.555 -0.199 -5.917 1.00 0.00 H new ATOM 720 N GLU A 47 1.492 4.249 -2.257 1.00 0.00 N ATOM 721 CA GLU A 47 0.713 4.556 -1.027 1.00 0.00 C ATOM 722 C GLU A 47 0.149 5.992 -1.016 1.00 0.00 C ATOM 723 O GLU A 47 -1.015 6.197 -0.671 1.00 0.00 O ATOM 724 CB GLU A 47 1.588 4.342 0.225 1.00 0.00 C ATOM 725 CG GLU A 47 2.099 2.912 0.439 1.00 0.00 C ATOM 726 CD GLU A 47 0.974 1.887 0.629 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.401 1.824 1.741 1.00 0.00 O ATOM 728 OE2 GLU A 47 0.655 1.143 -0.323 1.00 0.00 O ATOM 0 H GLU A 47 2.425 3.886 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.135 3.871 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.447 5.010 0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.014 4.639 1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.707 2.619 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.750 2.893 1.313 1.00 0.00 H new ATOM 735 N ARG A 48 1.002 6.960 -1.411 1.00 0.00 N ATOM 736 CA ARG A 48 0.622 8.390 -1.530 1.00 0.00 C ATOM 737 C ARG A 48 -0.579 8.573 -2.481 1.00 0.00 C ATOM 738 O ARG A 48 -1.499 9.321 -2.177 1.00 0.00 O ATOM 739 CB ARG A 48 1.824 9.242 -2.039 1.00 0.00 C ATOM 740 CG ARG A 48 2.458 8.700 -3.343 1.00 0.00 C ATOM 741 CD ARG A 48 3.439 9.668 -4.012 1.00 0.00 C ATOM 742 NE ARG A 48 2.761 10.849 -4.564 1.00 0.00 N ATOM 743 CZ ARG A 48 2.058 10.889 -5.713 1.00 0.00 C ATOM 744 NH1 ARG A 48 1.850 9.783 -6.438 1.00 0.00 N ATOM 745 NH2 ARG A 48 1.537 12.043 -6.114 1.00 0.00 N ATOM 0 H ARG A 48 1.975 6.776 -1.657 1.00 0.00 H new ATOM 0 HA ARG A 48 0.336 8.733 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.488 10.266 -2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.587 9.279 -1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.978 7.768 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.663 8.461 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.186 9.986 -3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.971 9.150 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 48 2.828 11.715 -4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.226 8.889 -6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.315 9.835 -7.305 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.671 12.885 -5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.003 12.087 -6.982 1.00 0.00 H new ATOM 759 N ASP A 49 -0.550 7.867 -3.622 1.00 0.00 N ATOM 760 CA ASP A 49 -1.546 8.026 -4.696 1.00 0.00 C ATOM 761 C ASP A 49 -2.834 7.249 -4.370 1.00 0.00 C ATOM 762 O ASP A 49 -3.925 7.612 -4.819 1.00 0.00 O ATOM 763 CB ASP A 49 -0.939 7.582 -6.049 1.00 0.00 C ATOM 764 CG ASP A 49 -1.824 7.952 -7.250 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.746 9.111 -7.707 1.00 0.00 O ATOM 766 OD2 ASP A 49 -2.617 7.105 -7.721 1.00 0.00 O ATOM 0 H ASP A 49 0.165 7.169 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.817 9.079 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.041 8.043 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.785 6.503 -6.036 1.00 0.00 H new ATOM 771 N GLU A 50 -2.686 6.184 -3.570 1.00 0.00 N ATOM 772 CA GLU A 50 -3.811 5.366 -3.090 1.00 0.00 C ATOM 773 C GLU A 50 -4.699 6.155 -2.128 1.00 0.00 C ATOM 774 O GLU A 50 -5.917 6.009 -2.140 1.00 0.00 O ATOM 775 CB GLU A 50 -3.288 4.081 -2.409 1.00 0.00 C ATOM 776 CG GLU A 50 -2.649 3.075 -3.373 1.00 0.00 C ATOM 777 CD GLU A 50 -3.661 2.480 -4.368 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.357 1.509 -4.007 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.769 2.972 -5.510 1.00 0.00 O ATOM 0 H GLU A 50 -1.778 5.863 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.416 5.087 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.555 4.357 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.115 3.596 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.848 3.566 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.192 2.268 -2.800 1.00 0.00 H new ATOM 786 N ARG A 51 -4.068 6.973 -1.282 1.00 0.00 N ATOM 787 CA ARG A 51 -4.783 7.852 -0.345 1.00 0.00 C ATOM 788 C ARG A 51 -5.242 9.172 -1.025 1.00 0.00 C ATOM 789 O ARG A 51 -6.194 9.809 -0.560 1.00 0.00 O ATOM 790 CB ARG A 51 -3.929 8.092 0.923 1.00 0.00 C ATOM 791 CG ARG A 51 -2.531 8.666 0.674 1.00 0.00 C ATOM 792 CD ARG A 51 -1.718 8.829 1.964 1.00 0.00 C ATOM 793 NE ARG A 51 -1.454 7.548 2.631 1.00 0.00 N ATOM 794 CZ ARG A 51 -1.346 7.382 3.952 1.00 0.00 C ATOM 795 NH1 ARG A 51 -1.623 8.374 4.792 1.00 0.00 N ATOM 796 NH2 ARG A 51 -0.996 6.209 4.428 1.00 0.00 N ATOM 0 H ARG A 51 -3.052 7.047 -1.225 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.698 7.351 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.470 8.771 1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.826 7.146 1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.991 8.012 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.623 9.635 0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.771 9.316 1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.256 9.486 2.647 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.345 6.723 2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.923 9.279 4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.535 8.230 5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.809 5.435 3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.911 6.072 5.435 1.00 0.00 H new ATOM 810 N LEU A 52 -4.544 9.588 -2.120 1.00 0.00 N ATOM 811 CA LEU A 52 -4.982 10.713 -2.995 1.00 0.00 C ATOM 812 C LEU A 52 -6.346 10.393 -3.643 1.00 0.00 C ATOM 813 O LEU A 52 -7.289 11.194 -3.565 1.00 0.00 O ATOM 814 CB LEU A 52 -3.920 11.009 -4.108 1.00 0.00 C ATOM 815 CG LEU A 52 -2.668 11.839 -3.675 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.600 11.893 -4.797 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.085 13.250 -3.228 1.00 0.00 C ATOM 0 H LEU A 52 -3.669 9.156 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.083 11.601 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.575 10.057 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.416 11.539 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.209 11.334 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.745 12.479 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.274 10.881 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.029 12.357 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.201 13.813 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.580 13.762 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.770 13.176 -2.383 1.00 0.00 H new ATOM 829 N ARG A 53 -6.437 9.195 -4.260 1.00 0.00 N ATOM 830 CA ARG A 53 -7.663 8.733 -4.941 1.00 0.00 C ATOM 831 C ARG A 53 -8.751 8.366 -3.916 1.00 0.00 C ATOM 832 O ARG A 53 -9.939 8.490 -4.206 1.00 0.00 O ATOM 833 CB ARG A 53 -7.357 7.521 -5.868 1.00 0.00 C ATOM 834 CG ARG A 53 -6.897 6.244 -5.134 1.00 0.00 C ATOM 835 CD ARG A 53 -6.579 5.072 -6.072 1.00 0.00 C ATOM 836 NE ARG A 53 -5.495 5.374 -7.024 1.00 0.00 N ATOM 837 CZ ARG A 53 -5.162 4.594 -8.065 1.00 0.00 C ATOM 838 NH1 ARG A 53 -5.785 3.436 -8.274 1.00 0.00 N ATOM 839 NH2 ARG A 53 -4.192 4.970 -8.884 1.00 0.00 N ATOM 0 H ARG A 53 -5.668 8.526 -4.299 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.035 9.551 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.252 7.289 -6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.585 7.812 -6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.011 6.475 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.675 5.937 -4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.300 4.203 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.478 4.804 -6.627 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.963 6.232 -6.883 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.524 3.133 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.523 2.852 -9.068 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.701 5.849 -8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.936 4.380 -9.676 1.00 0.00 H new ATOM 853 N ALA A 54 -8.320 7.931 -2.712 1.00 0.00 N ATOM 854 CA ALA A 54 -9.236 7.588 -1.605 1.00 0.00 C ATOM 855 C ALA A 54 -9.858 8.843 -0.980 1.00 0.00 C ATOM 856 O ALA A 54 -10.891 8.753 -0.338 1.00 0.00 O ATOM 857 CB ALA A 54 -8.502 6.776 -0.535 1.00 0.00 C ATOM 0 H ALA A 54 -7.334 7.809 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.043 6.984 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.191 6.532 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.119 5.856 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.672 7.362 -0.139 1.00 0.00 H new ATOM 863 N CYS A 55 -9.195 9.995 -1.150 1.00 0.00 N ATOM 864 CA CYS A 55 -9.694 11.305 -0.676 1.00 0.00 C ATOM 865 C CYS A 55 -10.691 11.920 -1.684 1.00 0.00 C ATOM 866 O CYS A 55 -11.557 12.714 -1.308 1.00 0.00 O ATOM 867 CB CYS A 55 -8.506 12.274 -0.490 1.00 0.00 C ATOM 868 SG CYS A 55 -8.993 13.962 -0.075 1.00 0.00 S ATOM 0 H CYS A 55 -8.292 10.051 -1.622 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.208 11.149 0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.857 11.890 0.297 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.918 12.292 -1.408 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.980 14.591 0.444 1.00 0.00 H new ATOM 874 N ASP A 56 -10.572 11.501 -2.957 1.00 0.00 N ATOM 875 CA ASP A 56 -11.215 12.159 -4.121 1.00 0.00 C ATOM 876 C ASP A 56 -12.767 12.151 -4.070 1.00 0.00 C ATOM 877 O ASP A 56 -13.404 13.004 -4.702 1.00 0.00 O ATOM 878 CB ASP A 56 -10.695 11.495 -5.432 1.00 0.00 C ATOM 879 CG ASP A 56 -11.228 12.154 -6.715 1.00 0.00 C ATOM 880 OD1 ASP A 56 -10.821 13.297 -7.019 1.00 0.00 O ATOM 881 OD2 ASP A 56 -12.060 11.542 -7.419 1.00 0.00 O ATOM 0 H ASP A 56 -10.019 10.684 -3.215 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.935 13.212 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.606 11.534 -5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.977 10.442 -5.431 1.00 0.00 H new ATOM 886 N TRP A 57 -13.365 11.204 -3.311 1.00 0.00 N ATOM 887 CA TRP A 57 -14.844 11.097 -3.167 1.00 0.00 C ATOM 888 C TRP A 57 -15.457 12.387 -2.581 1.00 0.00 C ATOM 889 O TRP A 57 -16.580 12.752 -2.921 1.00 0.00 O ATOM 890 CB TRP A 57 -15.245 9.871 -2.302 1.00 0.00 C ATOM 891 CG TRP A 57 -14.841 9.962 -0.844 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.573 9.984 -0.345 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.712 10.059 0.298 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.596 10.068 1.020 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.894 10.119 1.442 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.101 10.096 0.461 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.414 10.225 2.726 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.614 10.203 1.741 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.773 10.266 2.857 1.00 0.00 C ATOM 0 H TRP A 57 -12.848 10.499 -2.786 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.247 10.956 -4.170 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.326 9.743 -2.358 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -14.795 8.977 -2.734 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.675 9.941 -0.944 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.775 10.089 1.626 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.758 10.042 -0.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.767 10.273 3.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.684 10.239 1.882 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -17.207 10.349 3.842 1.00 0.00 H new ATOM 910 N THR A 58 -14.691 13.066 -1.709 1.00 0.00 N ATOM 911 CA THR A 58 -15.102 14.332 -1.079 1.00 0.00 C ATOM 912 C THR A 58 -14.915 15.501 -2.050 1.00 0.00 C ATOM 913 O THR A 58 -15.700 16.447 -2.067 1.00 0.00 O ATOM 914 CB THR A 58 -14.281 14.602 0.209 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.898 14.722 -0.119 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.442 13.469 1.213 1.00 0.00 C ATOM 0 H THR A 58 -13.765 12.750 -1.420 1.00 0.00 H new ATOM 0 HA THR A 58 -16.156 14.244 -0.817 1.00 0.00 H new ATOM 0 HB THR A 58 -14.652 15.526 0.653 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.557 13.855 -0.423 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.855 13.687 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.493 13.371 1.485 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.094 12.537 0.768 1.00 0.00 H new ATOM 924 N GLN A 59 -13.848 15.398 -2.860 1.00 0.00 N ATOM 925 CA GLN A 59 -13.437 16.443 -3.816 1.00 0.00 C ATOM 926 C GLN A 59 -14.455 16.586 -4.958 1.00 0.00 C ATOM 927 O GLN A 59 -14.644 17.685 -5.489 1.00 0.00 O ATOM 928 CB GLN A 59 -12.018 16.133 -4.369 1.00 0.00 C ATOM 929 CG GLN A 59 -10.932 15.937 -3.284 1.00 0.00 C ATOM 930 CD GLN A 59 -10.820 17.115 -2.305 1.00 0.00 C ATOM 931 OE1 GLN A 59 -10.123 18.080 -2.564 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.485 17.028 -1.165 1.00 0.00 N ATOM 0 H GLN A 59 -13.240 14.579 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.404 17.396 -3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.069 15.232 -4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.713 16.947 -5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.151 15.029 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.968 15.787 -3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.062 16.209 -0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.421 17.780 -0.479 1.00 0.00 H new ATOM 941 N VAL A 60 -15.105 15.464 -5.319 1.00 0.00 N ATOM 942 CA VAL A 60 -16.221 15.462 -6.276 1.00 0.00 C ATOM 943 C VAL A 60 -17.541 15.789 -5.533 1.00 0.00 C ATOM 944 O VAL A 60 -17.747 15.378 -4.377 1.00 0.00 O ATOM 945 CB VAL A 60 -16.314 14.098 -7.080 1.00 0.00 C ATOM 946 CG1 VAL A 60 -16.570 12.880 -6.156 1.00 0.00 C ATOM 947 CG2 VAL A 60 -17.374 14.178 -8.214 1.00 0.00 C ATOM 0 H VAL A 60 -14.871 14.540 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.040 16.236 -7.021 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.339 13.943 -7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -16.625 11.972 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -15.755 12.791 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.510 13.019 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -17.412 13.227 -8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -18.352 14.392 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -17.103 14.971 -8.910 1.00 0.00 H new ATOM 957 N GLN A 61 -18.415 16.550 -6.218 1.00 0.00 N ATOM 958 CA GLN A 61 -19.693 17.065 -5.672 1.00 0.00 C ATOM 959 C GLN A 61 -20.758 15.940 -5.505 1.00 0.00 C ATOM 960 O GLN A 61 -21.860 16.184 -5.002 1.00 0.00 O ATOM 961 CB GLN A 61 -20.184 18.226 -6.598 1.00 0.00 C ATOM 962 CG GLN A 61 -21.470 18.979 -6.171 1.00 0.00 C ATOM 963 CD GLN A 61 -21.421 19.582 -4.764 1.00 0.00 C ATOM 964 OE1 GLN A 61 -20.358 19.922 -4.247 1.00 0.00 O ATOM 965 NE2 GLN A 61 -22.581 19.732 -4.141 1.00 0.00 N ATOM 0 H GLN A 61 -18.253 16.832 -7.185 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.534 17.451 -4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.378 18.955 -6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.348 17.816 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.662 19.778 -6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.313 18.291 -6.227 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -23.446 19.440 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.609 20.139 -3.206 1.00 0.00 H new ATOM 974 N ASP A 62 -20.397 14.704 -5.910 1.00 0.00 N ATOM 975 CA ASP A 62 -21.239 13.493 -5.770 1.00 0.00 C ATOM 976 C ASP A 62 -21.686 13.252 -4.303 1.00 0.00 C ATOM 977 O ASP A 62 -22.820 12.816 -4.059 1.00 0.00 O ATOM 978 CB ASP A 62 -20.464 12.258 -6.315 1.00 0.00 C ATOM 979 CG ASP A 62 -21.251 10.931 -6.217 1.00 0.00 C ATOM 980 OD1 ASP A 62 -22.121 10.674 -7.076 1.00 0.00 O ATOM 981 OD2 ASP A 62 -21.009 10.147 -5.277 1.00 0.00 O ATOM 0 H ASP A 62 -19.497 14.515 -6.351 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.147 13.646 -6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -20.202 12.437 -7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -19.529 12.156 -5.764 1.00 0.00 H new ATOM 986 N VAL A 63 -20.788 13.544 -3.342 1.00 0.00 N ATOM 987 CA VAL A 63 -21.074 13.367 -1.900 1.00 0.00 C ATOM 988 C VAL A 63 -21.627 14.680 -1.299 1.00 0.00 C ATOM 989 O VAL A 63 -21.335 15.779 -1.801 1.00 0.00 O ATOM 990 CB VAL A 63 -19.787 12.897 -1.116 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.726 14.019 -1.025 1.00 0.00 C ATOM 992 CG2 VAL A 63 -20.149 12.346 0.288 1.00 0.00 C ATOM 0 H VAL A 63 -19.854 13.905 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.830 12.588 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.344 12.081 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.857 13.654 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.424 14.317 -2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.149 14.878 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.240 12.031 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.642 13.126 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.820 11.493 0.182 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.436 14.544 -0.237 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.011 15.679 0.503 1.00 0.00 C ATOM 1004 C VAL A 64 -22.184 15.926 1.780 1.00 0.00 C ATOM 1005 O VAL A 64 -22.357 15.229 2.785 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.525 15.414 0.866 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.175 16.647 1.554 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.322 14.972 -0.390 1.00 0.00 C ATOM 0 H VAL A 64 -22.712 13.636 0.136 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.975 16.566 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.557 14.597 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.216 16.426 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.637 16.876 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.128 17.505 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.362 14.795 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -25.274 15.756 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.891 14.055 -0.790 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.231 16.876 1.694 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.422 17.342 2.842 1.00 0.00 C ATOM 1020 C LEU A 65 -20.364 18.882 2.800 1.00 0.00 C ATOM 1021 O LEU A 65 -20.664 19.492 1.763 1.00 0.00 O ATOM 1022 CB LEU A 65 -18.983 16.744 2.772 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.851 15.193 2.921 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.442 14.714 2.539 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.210 14.730 4.347 1.00 0.00 C ATOM 0 H LEU A 65 -20.998 17.346 0.819 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.877 17.011 3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.543 17.031 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.383 17.212 3.553 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.564 14.742 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.382 13.632 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.235 14.982 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.708 15.189 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.107 13.647 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.538 15.204 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.238 15.012 4.573 1.00 0.00 H new ATOM 1037 N THR A 66 -19.976 19.511 3.925 1.00 0.00 N ATOM 1038 CA THR A 66 -19.793 20.972 3.980 1.00 0.00 C ATOM 1039 C THR A 66 -18.480 21.352 3.282 1.00 0.00 C ATOM 1040 O THR A 66 -17.649 20.473 2.976 1.00 0.00 O ATOM 1041 CB THR A 66 -19.766 21.491 5.452 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.661 20.897 6.143 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.060 21.166 6.218 1.00 0.00 C ATOM 0 H THR A 66 -19.784 19.032 4.805 1.00 0.00 H new ATOM 0 HA THR A 66 -20.638 21.436 3.471 1.00 0.00 H new ATOM 0 HB THR A 66 -19.668 22.576 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.640 21.222 7.067 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.987 21.550 7.236 1.00 0.00 H new ATOM 0 HG22 THR A 66 -21.907 21.632 5.715 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.204 20.086 6.247 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.296 22.662 3.036 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.033 23.191 2.502 1.00 0.00 C ATOM 1053 C ALA A 67 -15.880 22.862 3.464 1.00 0.00 C ATOM 1054 O ALA A 67 -14.828 22.428 3.029 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.119 24.703 2.247 1.00 0.00 C ATOM 0 H ALA A 67 -19.009 23.373 3.200 1.00 0.00 H new ATOM 0 HA ALA A 67 -16.840 22.712 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.168 25.060 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -17.910 24.906 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.340 25.218 3.182 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.140 23.043 4.780 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.196 22.712 5.882 1.00 0.00 C ATOM 1063 C ASP A 68 -14.620 21.294 5.727 1.00 0.00 C ATOM 1064 O ASP A 68 -13.412 21.120 5.659 1.00 0.00 O ATOM 1065 CB ASP A 68 -15.915 22.796 7.254 1.00 0.00 C ATOM 1066 CG ASP A 68 -16.654 24.117 7.470 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -17.804 24.236 6.998 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -16.097 25.047 8.094 1.00 0.00 O ATOM 0 H ASP A 68 -17.023 23.428 5.115 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.383 23.437 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.625 21.973 7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.182 22.664 8.049 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.531 20.312 5.633 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.183 18.876 5.515 1.00 0.00 C ATOM 1075 C GLN A 69 -14.392 18.616 4.221 1.00 0.00 C ATOM 1076 O GLN A 69 -13.261 18.146 4.268 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.466 18.005 5.580 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.189 18.090 6.936 1.00 0.00 C ATOM 1079 CD GLN A 69 -18.484 17.289 6.991 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -18.486 16.111 7.341 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -19.600 17.921 6.659 1.00 0.00 N ATOM 0 H GLN A 69 -16.536 20.487 5.636 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.545 18.598 6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.150 18.318 4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.203 16.966 5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.518 17.734 7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.409 19.135 7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -19.566 18.899 6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.493 17.429 6.690 1.00 0.00 H new ATOM 1090 N LYS A 70 -14.965 19.045 3.089 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.384 18.859 1.735 1.00 0.00 C ATOM 1092 C LYS A 70 -13.032 19.596 1.562 1.00 0.00 C ATOM 1093 O LYS A 70 -12.211 19.184 0.743 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.403 19.309 0.653 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.616 18.356 0.502 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.658 18.832 -0.546 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.583 17.697 -1.034 1.00 0.00 C ATOM 1098 NZ LYS A 70 -19.441 18.113 -2.175 1.00 0.00 N ATOM 0 H LYS A 70 -15.857 19.539 3.078 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.175 17.796 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.765 20.307 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.891 19.385 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.256 17.367 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.108 18.253 1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.265 19.627 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.136 19.261 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.977 16.842 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.215 17.368 -0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.055 17.321 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.028 18.923 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.841 18.386 -2.979 1.00 0.00 H new ATOM 1112 N ALA A 71 -12.819 20.671 2.346 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.603 21.517 2.248 1.00 0.00 C ATOM 1114 C ALA A 71 -10.486 20.916 3.114 1.00 0.00 C ATOM 1115 O ALA A 71 -9.338 20.914 2.725 1.00 0.00 O ATOM 1116 CB ALA A 71 -11.890 22.967 2.654 1.00 0.00 C ATOM 0 H ALA A 71 -13.477 20.980 3.062 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.279 21.535 1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.977 23.556 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.653 23.385 1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.245 22.993 3.684 1.00 0.00 H new ATOM 1122 N THR A 72 -10.853 20.490 4.335 1.00 0.00 N ATOM 1123 CA THR A 72 -9.967 19.692 5.223 1.00 0.00 C ATOM 1124 C THR A 72 -9.443 18.409 4.503 1.00 0.00 C ATOM 1125 O THR A 72 -8.280 18.024 4.669 1.00 0.00 O ATOM 1126 CB THR A 72 -10.675 19.322 6.571 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.239 20.501 7.164 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.705 18.700 7.591 1.00 0.00 C ATOM 0 H THR A 72 -11.769 20.685 4.740 1.00 0.00 H new ATOM 0 HA THR A 72 -9.109 20.320 5.462 1.00 0.00 H new ATOM 0 HB THR A 72 -11.446 18.591 6.330 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.114 20.683 6.762 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.245 18.462 8.508 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.275 17.789 7.175 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.907 19.409 7.813 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.315 17.785 3.682 1.00 0.00 N ATOM 1137 CA TRP A 73 -9.928 16.681 2.775 1.00 0.00 C ATOM 1138 C TRP A 73 -9.051 17.201 1.609 1.00 0.00 C ATOM 1139 O TRP A 73 -8.136 16.505 1.161 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.177 15.943 2.224 1.00 0.00 C ATOM 1141 CG TRP A 73 -11.821 14.958 3.187 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -12.902 15.163 4.003 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.441 13.582 3.381 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.207 14.018 4.683 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.326 13.036 4.330 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.438 12.767 2.850 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.238 11.713 4.758 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.353 11.455 3.274 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.249 10.942 4.220 1.00 0.00 C ATOM 0 H TRP A 73 -11.304 18.031 3.629 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.341 15.970 3.356 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.921 16.686 1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -10.893 15.408 1.317 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.437 16.097 4.096 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.972 13.913 5.349 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.742 13.156 2.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.926 11.313 5.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.583 10.815 2.869 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.155 9.912 4.531 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.341 18.424 1.125 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.524 19.095 0.084 1.00 0.00 C ATOM 1162 C ALA A 74 -7.123 19.457 0.614 1.00 0.00 C ATOM 1163 O ALA A 74 -6.161 19.482 -0.148 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.234 20.353 -0.447 1.00 0.00 C ATOM 0 H ALA A 74 -10.140 18.975 1.438 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.403 18.390 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.614 20.826 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.193 20.073 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.398 21.052 0.373 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.026 19.707 1.933 1.00 0.00 N ATOM 1171 CA LYS A 75 -5.752 20.001 2.620 1.00 0.00 C ATOM 1172 C LYS A 75 -4.968 18.692 2.786 1.00 0.00 C ATOM 1173 O LYS A 75 -3.744 18.660 2.630 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.015 20.636 4.014 1.00 0.00 C ATOM 1175 CG LYS A 75 -6.672 22.035 3.986 1.00 0.00 C ATOM 1176 CD LYS A 75 -7.065 22.540 5.401 1.00 0.00 C ATOM 1177 CE LYS A 75 -7.643 23.968 5.384 1.00 0.00 C ATOM 1178 NZ LYS A 75 -8.041 24.429 6.739 1.00 0.00 N ATOM 0 H LYS A 75 -7.833 19.711 2.557 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.177 20.711 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.653 19.964 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.067 20.708 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.984 22.746 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.561 22.002 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.799 21.861 5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.188 22.515 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.902 24.653 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.509 24.000 4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.424 25.394 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.767 23.792 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.211 24.425 7.365 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.718 17.615 3.096 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.187 16.256 3.261 1.00 0.00 C ATOM 1194 C TYR A 76 -4.452 15.813 1.988 1.00 0.00 C ATOM 1195 O TYR A 76 -3.270 15.458 2.043 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.356 15.286 3.611 1.00 0.00 C ATOM 1197 CG TYR A 76 -6.016 13.793 3.513 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.980 13.245 4.261 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.718 12.936 2.660 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.669 11.913 4.171 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.407 11.592 2.576 1.00 0.00 C ATOM 1202 CZ TYR A 76 -5.377 11.089 3.336 1.00 0.00 C ATOM 1203 OH TYR A 76 -5.073 9.754 3.287 1.00 0.00 O ATOM 0 H TYR A 76 -6.726 17.671 3.240 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.466 16.239 4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.693 15.500 4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.193 15.496 2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.411 13.879 4.924 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.520 13.332 2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.860 11.510 4.762 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.968 10.943 1.920 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.869 9.247 3.024 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.160 15.899 0.844 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.619 15.459 -0.449 1.00 0.00 C ATOM 1215 C ARG A 77 -3.467 16.376 -0.898 1.00 0.00 C ATOM 1216 O ARG A 77 -2.463 15.893 -1.418 1.00 0.00 O ATOM 1217 CB ARG A 77 -5.716 15.382 -1.551 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.303 16.730 -2.023 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.198 16.586 -3.257 1.00 0.00 C ATOM 1220 NE ARG A 77 -7.632 17.897 -3.765 1.00 0.00 N ATOM 1221 CZ ARG A 77 -8.117 18.138 -4.994 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -8.225 17.164 -5.887 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -8.510 19.365 -5.304 1.00 0.00 N ATOM 0 H ARG A 77 -6.109 16.270 0.794 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.232 14.450 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.297 14.869 -2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.533 14.764 -1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.879 17.175 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.488 17.417 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.658 16.052 -4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.072 15.985 -3.006 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.558 18.691 -3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.938 16.216 -5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.595 17.363 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.442 20.112 -4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.880 19.562 -6.234 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.631 17.701 -0.681 1.00 0.00 N ATOM 1238 CA GLN A 78 -2.649 18.727 -1.078 1.00 0.00 C ATOM 1239 C GLN A 78 -1.279 18.493 -0.438 1.00 0.00 C ATOM 1240 O GLN A 78 -0.246 18.633 -1.095 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.193 20.135 -0.706 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.461 21.320 -1.370 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.477 21.294 -2.911 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -1.569 21.811 -3.550 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.496 20.683 -3.519 1.00 0.00 N ATOM 0 H GLN A 78 -4.456 18.087 -0.222 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.509 18.661 -2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.248 20.182 -0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.136 20.254 0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.917 22.250 -1.029 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.426 21.329 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.241 20.260 -2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.530 20.639 -4.537 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.293 18.102 0.840 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.064 17.835 1.601 1.00 0.00 C ATOM 1256 C ALA A 79 0.685 16.602 1.054 1.00 0.00 C ATOM 1257 O ALA A 79 1.901 16.520 1.172 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.384 17.669 3.091 1.00 0.00 C ATOM 0 H ALA A 79 -2.150 17.962 1.375 1.00 0.00 H new ATOM 0 HA ALA A 79 0.597 18.693 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.536 17.472 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.844 18.582 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.072 16.834 3.225 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.063 15.639 0.483 1.00 0.00 N ATOM 1265 CA LEU A 80 0.494 14.423 -0.151 1.00 0.00 C ATOM 1266 C LEU A 80 1.134 14.720 -1.524 1.00 0.00 C ATOM 1267 O LEU A 80 2.309 14.435 -1.736 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.659 13.398 -0.307 1.00 0.00 C ATOM 1269 CG LEU A 80 -1.349 12.980 1.025 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.704 12.296 0.781 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.405 12.093 1.853 1.00 0.00 C ATOM 0 H LEU A 80 -1.081 15.681 0.447 1.00 0.00 H new ATOM 0 HA LEU A 80 1.288 14.026 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.412 13.819 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.268 12.504 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.560 13.884 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.150 12.021 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.368 12.981 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.556 11.400 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.897 11.806 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.154 11.198 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.507 12.645 2.081 1.00 0.00 H new ATOM 1283 N ARG A 81 0.340 15.302 -2.448 1.00 0.00 N ATOM 1284 CA ARG A 81 0.776 15.570 -3.847 1.00 0.00 C ATOM 1285 C ARG A 81 1.898 16.636 -3.910 1.00 0.00 C ATOM 1286 O ARG A 81 2.694 16.652 -4.847 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.442 15.994 -4.728 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.289 17.150 -4.142 1.00 0.00 C ATOM 1289 CD ARG A 81 -2.389 17.653 -5.090 1.00 0.00 C ATOM 1290 NE ARG A 81 -1.822 18.323 -6.269 1.00 0.00 N ATOM 1291 CZ ARG A 81 -2.437 18.463 -7.450 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -3.658 17.973 -7.649 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -1.821 19.105 -8.434 1.00 0.00 N ATOM 0 H ARG A 81 -0.616 15.600 -2.253 1.00 0.00 H new ATOM 0 HA ARG A 81 1.190 14.643 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.077 16.291 -5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.086 15.127 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.748 16.816 -3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.630 17.981 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.007 16.814 -5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.042 18.344 -4.557 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.884 18.713 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.140 17.482 -6.896 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.112 18.088 -8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.887 19.487 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.282 19.217 -9.337 1.00 0.00 H new ATOM 1307 N ASP A 82 1.939 17.520 -2.899 1.00 0.00 N ATOM 1308 CA ASP A 82 2.909 18.634 -2.806 1.00 0.00 C ATOM 1309 C ASP A 82 3.873 18.452 -1.612 1.00 0.00 C ATOM 1310 O ASP A 82 4.482 19.444 -1.182 1.00 0.00 O ATOM 1311 CB ASP A 82 2.155 19.994 -2.694 1.00 0.00 C ATOM 1312 CG ASP A 82 1.513 20.470 -4.012 1.00 0.00 C ATOM 1313 OD1 ASP A 82 0.489 19.899 -4.433 1.00 0.00 O ATOM 1314 OD2 ASP A 82 2.031 21.428 -4.635 1.00 0.00 O ATOM 0 H ASP A 82 1.292 17.484 -2.111 1.00 0.00 H new ATOM 0 HA ASP A 82 3.509 18.632 -3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.377 19.904 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.853 20.756 -2.347 1.00 0.00 H new ATOM 1319 N LEU A 83 3.997 17.201 -1.074 1.00 0.00 N ATOM 1320 CA LEU A 83 4.842 16.901 0.123 1.00 0.00 C ATOM 1321 C LEU A 83 6.268 17.497 0.005 1.00 0.00 C ATOM 1322 O LEU A 83 6.831 17.524 -1.090 1.00 0.00 O ATOM 1323 CB LEU A 83 4.876 15.352 0.438 1.00 0.00 C ATOM 1324 CG LEU A 83 5.368 14.347 -0.680 1.00 0.00 C ATOM 1325 CD1 LEU A 83 6.906 14.336 -0.896 1.00 0.00 C ATOM 1326 CD2 LEU A 83 4.855 12.911 -0.398 1.00 0.00 C ATOM 0 H LEU A 83 3.520 16.383 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 83 4.370 17.396 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.513 15.209 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.868 15.054 0.726 1.00 0.00 H new ATOM 0 HG LEU A 83 4.936 14.716 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.158 13.621 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.239 15.331 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.402 14.049 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.207 12.239 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.232 12.573 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.765 12.911 -0.382 1.00 0.00 H new ATOM 1338 N PRO A 84 6.856 18.022 1.127 1.00 0.00 N ATOM 1339 CA PRO A 84 8.198 18.636 1.098 1.00 0.00 C ATOM 1340 C PRO A 84 9.308 17.574 0.946 1.00 0.00 C ATOM 1341 O PRO A 84 9.123 16.409 1.337 1.00 0.00 O ATOM 1342 CB PRO A 84 8.277 19.394 2.448 1.00 0.00 C ATOM 1343 CG PRO A 84 7.377 18.627 3.371 1.00 0.00 C ATOM 1344 CD PRO A 84 6.270 18.054 2.498 1.00 0.00 C ATOM 0 HA PRO A 84 8.348 19.298 0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.299 19.423 2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.947 20.427 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.924 17.833 3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.967 19.276 4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.979 17.057 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.375 18.675 2.533 1.00 0.00 H new ATOM 1352 N GLU A 85 10.436 18.006 0.364 1.00 0.00 N ATOM 1353 CA GLU A 85 11.605 17.156 0.080 1.00 0.00 C ATOM 1354 C GLU A 85 12.206 16.580 1.375 1.00 0.00 C ATOM 1355 O GLU A 85 13.022 17.233 2.041 1.00 0.00 O ATOM 1356 CB GLU A 85 12.661 17.977 -0.702 1.00 0.00 C ATOM 1357 CG GLU A 85 12.237 18.382 -2.125 1.00 0.00 C ATOM 1358 CD GLU A 85 12.028 17.176 -3.052 1.00 0.00 C ATOM 1359 OE1 GLU A 85 13.027 16.497 -3.379 1.00 0.00 O ATOM 1360 OE2 GLU A 85 10.875 16.882 -3.434 1.00 0.00 O ATOM 0 H GLU A 85 10.565 18.974 0.071 1.00 0.00 H new ATOM 0 HA GLU A 85 11.284 16.312 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 85 12.892 18.879 -0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.581 17.395 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.313 18.958 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.997 19.036 -2.553 1.00 0.00 H new ATOM 1367 N THR A 86 11.732 15.375 1.752 1.00 0.00 N ATOM 1368 CA THR A 86 12.208 14.652 2.944 1.00 0.00 C ATOM 1369 C THR A 86 13.695 14.239 2.772 1.00 0.00 C ATOM 1370 O THR A 86 14.012 13.185 2.199 1.00 0.00 O ATOM 1371 CB THR A 86 11.275 13.424 3.291 1.00 0.00 C ATOM 1372 OG1 THR A 86 11.830 12.647 4.367 1.00 0.00 O ATOM 1373 CG2 THR A 86 10.990 12.504 2.086 1.00 0.00 C ATOM 0 H THR A 86 11.007 14.877 1.236 1.00 0.00 H new ATOM 0 HA THR A 86 12.154 15.326 3.799 1.00 0.00 H new ATOM 0 HB THR A 86 10.322 13.857 3.595 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.265 11.848 4.003 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.344 11.684 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.496 13.076 1.301 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.929 12.101 1.706 1.00 0.00 H new ATOM 1381 N VAL A 87 14.600 15.127 3.240 1.00 0.00 N ATOM 1382 CA VAL A 87 16.057 14.982 3.056 1.00 0.00 C ATOM 1383 C VAL A 87 16.573 13.698 3.743 1.00 0.00 C ATOM 1384 O VAL A 87 16.147 13.400 4.862 1.00 0.00 O ATOM 1385 CB VAL A 87 16.835 16.259 3.575 1.00 0.00 C ATOM 1386 CG1 VAL A 87 16.407 17.515 2.772 1.00 0.00 C ATOM 1387 CG2 VAL A 87 16.644 16.487 5.099 1.00 0.00 C ATOM 0 H VAL A 87 14.337 15.966 3.757 1.00 0.00 H new ATOM 0 HA VAL A 87 16.250 14.894 1.987 1.00 0.00 H new ATOM 0 HB VAL A 87 17.898 16.080 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 87 16.950 18.385 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 87 16.633 17.366 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.336 17.678 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.197 17.375 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 87 15.585 16.626 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 87 17.016 15.621 5.646 1.00 0.00 H new ATOM 1397 N THR A 88 17.457 12.961 3.028 1.00 0.00 N ATOM 1398 CA THR A 88 18.026 11.629 3.393 1.00 0.00 C ATOM 1399 C THR A 88 16.964 10.510 3.632 1.00 0.00 C ATOM 1400 O THR A 88 17.001 9.479 2.945 1.00 0.00 O ATOM 1401 CB THR A 88 19.129 11.665 4.531 1.00 0.00 C ATOM 1402 OG1 THR A 88 19.827 10.409 4.550 1.00 0.00 O ATOM 1403 CG2 THR A 88 18.620 11.955 5.968 1.00 0.00 C ATOM 0 H THR A 88 17.815 13.292 2.132 1.00 0.00 H new ATOM 0 HA THR A 88 18.556 11.342 2.485 1.00 0.00 H new ATOM 0 HB THR A 88 19.768 12.508 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 88 20.512 10.426 5.251 1.00 0.00 H new ATOM 0 HG21 THR A 88 19.463 11.955 6.659 1.00 0.00 H new ATOM 0 HG22 THR A 88 18.132 12.929 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 88 17.908 11.185 6.264 1.00 0.00 H new ATOM 1411 N ASP A 89 16.048 10.701 4.603 1.00 0.00 N ATOM 1412 CA ASP A 89 14.962 9.757 4.924 1.00 0.00 C ATOM 1413 C ASP A 89 14.076 9.467 3.686 1.00 0.00 C ATOM 1414 O ASP A 89 13.198 10.257 3.334 1.00 0.00 O ATOM 1415 CB ASP A 89 14.108 10.321 6.097 1.00 0.00 C ATOM 1416 CG ASP A 89 14.927 10.563 7.380 1.00 0.00 C ATOM 1417 OD1 ASP A 89 15.495 11.666 7.533 1.00 0.00 O ATOM 1418 OD2 ASP A 89 15.040 9.649 8.225 1.00 0.00 O ATOM 0 H ASP A 89 16.044 11.531 5.196 1.00 0.00 H new ATOM 0 HA ASP A 89 15.407 8.810 5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 89 13.647 11.258 5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.298 9.625 6.316 1.00 0.00 H new ATOM 1423 N LEU A 90 14.336 8.325 3.026 1.00 0.00 N ATOM 1424 CA LEU A 90 13.665 7.939 1.767 1.00 0.00 C ATOM 1425 C LEU A 90 13.036 6.529 1.918 1.00 0.00 C ATOM 1426 O LEU A 90 12.977 5.731 0.976 1.00 0.00 O ATOM 1427 CB LEU A 90 14.710 8.015 0.608 1.00 0.00 C ATOM 1428 CG LEU A 90 14.144 7.925 -0.852 1.00 0.00 C ATOM 1429 CD1 LEU A 90 13.144 9.062 -1.159 1.00 0.00 C ATOM 1430 CD2 LEU A 90 15.286 7.869 -1.891 1.00 0.00 C ATOM 0 H LEU A 90 15.019 7.640 3.350 1.00 0.00 H new ATOM 0 HA LEU A 90 12.848 8.621 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.258 8.952 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.430 7.209 0.745 1.00 0.00 H new ATOM 0 HG LEU A 90 13.586 6.992 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.778 8.959 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.305 9.005 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.642 10.025 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.863 7.807 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.896 8.768 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.906 6.992 -1.704 1.00 0.00 H new ATOM 1442 N SER A 91 12.537 6.246 3.132 1.00 0.00 N ATOM 1443 CA SER A 91 11.810 5.002 3.450 1.00 0.00 C ATOM 1444 C SER A 91 10.702 5.322 4.456 1.00 0.00 C ATOM 1445 O SER A 91 9.535 4.957 4.259 1.00 0.00 O ATOM 1446 CB SER A 91 12.777 3.929 4.015 1.00 0.00 C ATOM 1447 OG SER A 91 13.765 3.577 3.064 1.00 0.00 O ATOM 0 H SER A 91 12.626 6.878 3.928 1.00 0.00 H new ATOM 0 HA SER A 91 11.368 4.595 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.256 4.307 4.918 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.212 3.042 4.302 1.00 0.00 H new ATOM 0 HG SER A 91 14.362 2.900 3.447 1.00 0.00 H new ATOM 1453 N GLN A 92 11.094 6.016 5.535 1.00 0.00 N ATOM 1454 CA GLN A 92 10.182 6.503 6.573 1.00 0.00 C ATOM 1455 C GLN A 92 9.482 7.787 6.067 1.00 0.00 C ATOM 1456 O GLN A 92 9.882 8.920 6.359 1.00 0.00 O ATOM 1457 CB GLN A 92 10.914 6.707 7.952 1.00 0.00 C ATOM 1458 CG GLN A 92 12.196 7.579 7.949 1.00 0.00 C ATOM 1459 CD GLN A 92 13.450 6.867 7.423 1.00 0.00 C ATOM 1460 OE1 GLN A 92 13.764 6.912 6.227 1.00 0.00 O ATOM 1461 NE2 GLN A 92 14.167 6.207 8.314 1.00 0.00 N ATOM 0 H GLN A 92 12.069 6.257 5.711 1.00 0.00 H new ATOM 0 HA GLN A 92 9.418 5.749 6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.204 7.152 8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.174 5.724 8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.015 8.466 7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.388 7.923 8.965 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.877 6.192 9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.011 5.712 8.024 1.00 0.00 H new ATOM 1470 N ILE A 93 8.473 7.565 5.219 1.00 0.00 N ATOM 1471 CA ILE A 93 7.649 8.623 4.619 1.00 0.00 C ATOM 1472 C ILE A 93 6.544 9.038 5.604 1.00 0.00 C ATOM 1473 O ILE A 93 5.584 8.304 5.829 1.00 0.00 O ATOM 1474 CB ILE A 93 7.041 8.190 3.197 1.00 0.00 C ATOM 1475 CG1 ILE A 93 6.861 6.625 3.027 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.916 8.752 2.040 1.00 0.00 C ATOM 1477 CD1 ILE A 93 5.912 5.911 3.979 1.00 0.00 C ATOM 0 H ILE A 93 8.200 6.628 4.924 1.00 0.00 H new ATOM 0 HA ILE A 93 8.290 9.483 4.423 1.00 0.00 H new ATOM 0 HB ILE A 93 6.041 8.621 3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 93 6.519 6.436 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.843 6.163 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.491 8.450 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.942 9.840 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.929 8.360 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.892 4.847 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.254 6.048 5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.910 6.326 3.873 1.00 0.00 H new ATOM 1489 N VAL A 94 6.704 10.207 6.222 1.00 0.00 N ATOM 1490 CA VAL A 94 5.731 10.748 7.167 1.00 0.00 C ATOM 1491 C VAL A 94 4.807 11.692 6.386 1.00 0.00 C ATOM 1492 O VAL A 94 5.203 12.805 6.027 1.00 0.00 O ATOM 1493 CB VAL A 94 6.447 11.506 8.350 1.00 0.00 C ATOM 1494 CG1 VAL A 94 5.417 12.098 9.358 1.00 0.00 C ATOM 1495 CG2 VAL A 94 7.465 10.570 9.060 1.00 0.00 C ATOM 0 H VAL A 94 7.516 10.808 6.080 1.00 0.00 H new ATOM 0 HA VAL A 94 5.154 9.941 7.619 1.00 0.00 H new ATOM 0 HB VAL A 94 6.997 12.346 7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.947 12.613 10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.766 12.804 8.841 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.816 11.292 9.780 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.950 11.110 9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.942 9.702 9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.218 10.241 8.344 1.00 0.00 H new ATOM 1505 N TRP A 95 3.609 11.205 6.057 1.00 0.00 N ATOM 1506 CA TRP A 95 2.578 11.955 5.320 1.00 0.00 C ATOM 1507 C TRP A 95 1.234 11.820 6.069 1.00 0.00 C ATOM 1508 O TRP A 95 1.049 10.832 6.802 1.00 0.00 O ATOM 1509 CB TRP A 95 2.501 11.468 3.835 1.00 0.00 C ATOM 1510 CG TRP A 95 2.449 9.965 3.591 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.786 9.003 4.307 1.00 0.00 C ATOM 1512 CD2 TRP A 95 3.075 9.269 2.501 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.986 7.771 3.748 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.772 7.908 2.642 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.875 9.672 1.428 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 3.233 6.946 1.755 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 4.331 8.712 0.543 1.00 0.00 C ATOM 1518 CH2 TRP A 95 4.013 7.359 0.713 1.00 0.00 C ATOM 0 H TRP A 95 3.318 10.258 6.299 1.00 0.00 H new ATOM 0 HA TRP A 95 2.834 13.014 5.278 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.616 11.914 3.380 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.367 11.865 3.305 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.190 9.191 5.188 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.608 6.892 4.101 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.132 10.712 1.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.983 5.903 1.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.944 9.011 -0.295 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.390 6.631 0.010 1.00 0.00 H new ATOM 1529 N PRO A 96 0.282 12.803 5.927 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.982 12.799 6.697 1.00 0.00 C ATOM 1531 C PRO A 96 -1.844 11.541 6.446 1.00 0.00 C ATOM 1532 O PRO A 96 -1.915 11.036 5.320 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.717 14.089 6.220 1.00 0.00 C ATOM 1534 CG PRO A 96 -1.093 14.419 4.898 1.00 0.00 C ATOM 1535 CD PRO A 96 0.351 13.989 5.018 1.00 0.00 C ATOM 0 HA PRO A 96 -0.792 12.782 7.770 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.789 13.919 6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.588 14.904 6.932 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.593 13.893 4.085 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.169 15.485 4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.775 13.729 4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.973 14.781 5.436 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.435 11.039 7.535 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.537 10.063 7.502 1.00 0.00 C ATOM 1545 C GLN A 97 -4.852 10.864 7.398 1.00 0.00 C ATOM 1546 O GLN A 97 -4.867 12.047 7.760 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.509 9.167 8.773 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.564 8.031 8.794 1.00 0.00 C ATOM 1549 CD GLN A 97 -4.543 7.191 10.071 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -4.198 7.683 11.149 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -4.925 5.921 9.958 1.00 0.00 N ATOM 0 H GLN A 97 -2.159 11.302 8.481 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.442 9.393 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.517 8.724 8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.659 9.799 9.649 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.556 8.467 8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.397 7.377 7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.203 5.551 9.049 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.940 5.318 10.780 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.928 10.235 6.882 1.00 0.00 N ATOM 1561 CA LEU A 98 -7.215 10.921 6.586 1.00 0.00 C ATOM 1562 C LEU A 98 -7.777 11.751 7.783 1.00 0.00 C ATOM 1563 O LEU A 98 -7.642 11.349 8.938 1.00 0.00 O ATOM 1564 CB LEU A 98 -8.261 9.909 6.016 1.00 0.00 C ATOM 1565 CG LEU A 98 -8.347 8.498 6.673 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.825 8.524 8.138 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -9.227 7.559 5.829 1.00 0.00 C ATOM 0 H LEU A 98 -5.935 9.240 6.657 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.004 11.662 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.246 10.371 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.049 9.771 4.956 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.327 8.113 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.860 7.507 8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.134 9.118 8.736 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.820 8.966 8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.274 6.579 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.232 7.974 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.799 7.458 4.832 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.383 12.951 7.509 1.00 0.00 N ATOM 1580 CA PRO A 99 -8.815 13.899 8.572 1.00 0.00 C ATOM 1581 C PRO A 99 -9.957 13.354 9.457 1.00 0.00 C ATOM 1582 O PRO A 99 -9.993 13.608 10.668 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.241 15.153 7.767 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.619 14.636 6.414 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.676 13.485 6.150 1.00 0.00 C ATOM 0 HA PRO A 99 -8.023 14.097 9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.079 15.662 8.243 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.427 15.874 7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.658 14.306 6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.517 15.411 5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.135 12.729 5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.769 13.818 5.646 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.875 12.600 8.844 1.00 0.00 N ATOM 1594 CA VAL A 100 -12.055 12.057 9.529 1.00 0.00 C ATOM 1595 C VAL A 100 -11.702 10.676 10.133 1.00 0.00 C ATOM 1596 O VAL A 100 -11.392 10.611 11.340 1.00 0.00 O ATOM 1597 CB VAL A 100 -13.297 11.978 8.554 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.565 11.418 9.268 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.582 13.367 7.918 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.713 9.670 9.397 1.00 0.00 O ATOM 0 H VAL A 100 -10.822 12.348 7.857 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.343 12.726 10.340 1.00 0.00 H new ATOM 0 HB VAL A 100 -13.044 11.278 7.757 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -15.394 11.381 8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.360 10.414 9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.829 12.067 10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.440 13.292 7.250 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.796 14.090 8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.710 13.694 7.352 1.00 0.00 H new TER 1610 VAL A 100