USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=18 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 58 THR OG1 : rot 92:sc= 0.47 USER MOD Set 1.2: A 59 GLN : amide:sc= -1.46! X(o=-0.99!,f=-0.77) USER MOD Single : A 1 MET CE :methyl -141:sc= -1.48 (180deg=-6.29!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.043 X(o=-0.043,f=0) USER MOD Single : A 5 SER OG : rot 36:sc= 0.0195 USER MOD Single : A 8 THR OG1 : rot -3:sc= 0.532 USER MOD Single : A 15 ASN : amide:sc= -0.316 K(o=-0.32,f=-3.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 37 LYS NZ :NH3+ -126:sc= 0.822 (180deg=-0.0279) USER MOD Single : A 39 THR OG1 : rot 78:sc= 0.475 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 43 THR OG1 : rot 75:sc= 1.06 USER MOD Single : A 55 CYS SG : rot 94:sc= -0.279 USER MOD Single : A 61 GLN : amide:sc= -0.565 K(o=-0.56,f=-2.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 69 GLN : amide:sc= -1.61! C(o=-1.6!,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 0.426 (180deg=0.218) USER MOD Single : A 72 THR OG1 : rot 80:sc= 0.649 USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0456) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.315 USER MOD Single : A 78 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.033) USER MOD Single : A 86 THR OG1 : rot -80:sc= -0.674 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.529 -5.766 6.159 1.00 0.00 N ATOM 2 CA MET A 1 6.234 -5.576 4.865 1.00 0.00 C ATOM 3 C MET A 1 6.841 -6.911 4.406 1.00 0.00 C ATOM 4 O MET A 1 7.576 -7.561 5.158 1.00 0.00 O ATOM 5 CB MET A 1 7.327 -4.474 4.993 1.00 0.00 C ATOM 6 CG MET A 1 8.090 -4.128 3.693 1.00 0.00 C ATOM 7 SD MET A 1 9.164 -5.455 3.101 1.00 0.00 S ATOM 8 CE MET A 1 9.936 -4.721 1.667 1.00 0.00 C ATOM 0 H1 MET A 1 5.119 -4.861 6.467 1.00 0.00 H new ATOM 0 H2 MET A 1 4.770 -6.467 6.041 1.00 0.00 H new ATOM 0 H3 MET A 1 6.203 -6.103 6.876 1.00 0.00 H new ATOM 0 HA MET A 1 5.519 -5.244 4.113 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.857 -3.565 5.369 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.051 -4.792 5.743 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.368 -3.883 2.914 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.692 -3.235 3.863 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.023 -5.468 0.878 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.329 -3.888 1.313 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.929 -4.358 1.934 1.00 0.00 H new ATOM 18 N LEU A 2 6.493 -7.323 3.178 1.00 0.00 N ATOM 19 CA LEU A 2 7.080 -8.495 2.505 1.00 0.00 C ATOM 20 C LEU A 2 7.735 -8.061 1.194 1.00 0.00 C ATOM 21 O LEU A 2 7.346 -7.043 0.606 1.00 0.00 O ATOM 22 CB LEU A 2 5.996 -9.603 2.283 1.00 0.00 C ATOM 23 CG LEU A 2 4.601 -9.172 1.696 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.634 -8.807 0.194 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.532 -10.256 1.968 1.00 0.00 C ATOM 0 H LEU A 2 5.787 -6.847 2.616 1.00 0.00 H new ATOM 0 HA LEU A 2 7.853 -8.929 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.420 -10.354 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.818 -10.091 3.241 1.00 0.00 H new ATOM 0 HG LEU A 2 4.332 -8.255 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.634 -8.521 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.319 -7.974 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.972 -9.668 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.576 -9.936 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.836 -11.192 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.430 -10.405 3.043 1.00 0.00 H new ATOM 37 N LEU A 3 8.748 -8.809 0.759 1.00 0.00 N ATOM 38 CA LEU A 3 9.347 -8.651 -0.569 1.00 0.00 C ATOM 39 C LEU A 3 8.344 -9.125 -1.638 1.00 0.00 C ATOM 40 O LEU A 3 8.127 -10.334 -1.777 1.00 0.00 O ATOM 41 CB LEU A 3 10.666 -9.489 -0.650 1.00 0.00 C ATOM 42 CG LEU A 3 11.641 -9.336 0.564 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.870 -10.260 0.433 1.00 0.00 C ATOM 44 CD2 LEU A 3 12.053 -7.868 0.757 1.00 0.00 C ATOM 0 H LEU A 3 9.179 -9.545 1.318 1.00 0.00 H new ATOM 0 HA LEU A 3 9.586 -7.602 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.401 -10.542 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.199 -9.207 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 3 11.104 -9.651 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.522 -10.123 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.541 -11.298 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.416 -10.012 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.731 -7.789 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.555 -7.510 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.166 -7.263 0.943 1.00 0.00 H new ATOM 56 N HIS A 4 7.683 -8.158 -2.322 1.00 0.00 N ATOM 57 CA HIS A 4 6.785 -8.410 -3.484 1.00 0.00 C ATOM 58 C HIS A 4 7.382 -9.433 -4.487 1.00 0.00 C ATOM 59 O HIS A 4 6.660 -10.254 -5.059 1.00 0.00 O ATOM 60 CB HIS A 4 6.481 -7.062 -4.201 1.00 0.00 C ATOM 61 CG HIS A 4 5.542 -7.161 -5.388 1.00 0.00 C ATOM 62 ND1 HIS A 4 4.201 -6.859 -5.318 1.00 0.00 N ATOM 63 CD2 HIS A 4 5.766 -7.539 -6.675 1.00 0.00 C ATOM 64 CE1 HIS A 4 3.645 -7.044 -6.500 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.572 -7.454 -7.340 1.00 0.00 N ATOM 0 H HIS A 4 7.757 -7.169 -2.082 1.00 0.00 H new ATOM 0 HA HIS A 4 5.862 -8.848 -3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.052 -6.371 -3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.422 -6.627 -4.538 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.711 -7.849 -7.095 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.604 -6.886 -6.739 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.425 -7.673 -8.325 1.00 0.00 H new ATOM 74 N SER A 5 8.700 -9.365 -4.670 1.00 0.00 N ATOM 75 CA SER A 5 9.434 -10.254 -5.571 1.00 0.00 C ATOM 76 C SER A 5 10.888 -10.360 -5.093 1.00 0.00 C ATOM 77 O SER A 5 11.547 -9.337 -4.880 1.00 0.00 O ATOM 78 CB SER A 5 9.331 -9.727 -7.029 1.00 0.00 C ATOM 79 OG SER A 5 9.655 -8.350 -7.107 1.00 0.00 O ATOM 0 H SER A 5 9.294 -8.686 -4.193 1.00 0.00 H new ATOM 0 HA SER A 5 9.001 -11.254 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.002 -10.297 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.320 -9.886 -7.404 1.00 0.00 H new ATOM 0 HG SER A 5 10.365 -8.144 -6.464 1.00 0.00 H new ATOM 85 N VAL A 6 11.359 -11.596 -4.880 1.00 0.00 N ATOM 86 CA VAL A 6 12.752 -11.894 -4.500 1.00 0.00 C ATOM 87 C VAL A 6 13.213 -13.124 -5.284 1.00 0.00 C ATOM 88 O VAL A 6 12.429 -14.056 -5.513 1.00 0.00 O ATOM 89 CB VAL A 6 12.928 -12.125 -2.937 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.115 -13.346 -2.443 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.428 -12.233 -2.523 1.00 0.00 C ATOM 0 H VAL A 6 10.778 -12.430 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 6 13.368 -11.029 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 6 12.524 -11.241 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.261 -13.471 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.057 -13.186 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.454 -14.243 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.498 -12.390 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.890 -13.072 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.946 -11.312 -2.789 1.00 0.00 H new ATOM 101 N GLU A 7 14.466 -13.111 -5.731 1.00 0.00 N ATOM 102 CA GLU A 7 15.062 -14.242 -6.440 1.00 0.00 C ATOM 103 C GLU A 7 15.870 -15.094 -5.444 1.00 0.00 C ATOM 104 O GLU A 7 16.560 -14.564 -4.566 1.00 0.00 O ATOM 105 CB GLU A 7 15.951 -13.756 -7.612 1.00 0.00 C ATOM 106 CG GLU A 7 16.432 -14.890 -8.535 1.00 0.00 C ATOM 107 CD GLU A 7 17.347 -14.389 -9.655 1.00 0.00 C ATOM 108 OE1 GLU A 7 18.563 -14.224 -9.411 1.00 0.00 O ATOM 109 OE2 GLU A 7 16.863 -14.132 -10.775 1.00 0.00 O ATOM 0 H GLU A 7 15.097 -12.318 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 7 14.270 -14.854 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.393 -13.030 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.819 -13.236 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.963 -15.635 -7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.567 -15.389 -8.973 1.00 0.00 H new ATOM 116 N THR A 8 15.742 -16.414 -5.588 1.00 0.00 N ATOM 117 CA THR A 8 16.386 -17.421 -4.737 1.00 0.00 C ATOM 118 C THR A 8 17.185 -18.405 -5.625 1.00 0.00 C ATOM 119 O THR A 8 16.974 -18.429 -6.843 1.00 0.00 O ATOM 120 CB THR A 8 15.297 -18.200 -3.925 1.00 0.00 C ATOM 121 OG1 THR A 8 14.338 -18.776 -4.825 1.00 0.00 O ATOM 122 CG2 THR A 8 14.579 -17.289 -2.917 1.00 0.00 C ATOM 0 H THR A 8 15.169 -16.827 -6.324 1.00 0.00 H new ATOM 0 HA THR A 8 17.065 -16.930 -4.039 1.00 0.00 H new ATOM 0 HB THR A 8 15.800 -18.988 -3.365 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.550 -18.509 -5.744 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.831 -17.866 -2.373 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.305 -16.882 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.091 -16.472 -3.448 1.00 0.00 H new ATOM 130 N PRO A 9 18.134 -19.219 -5.053 1.00 0.00 N ATOM 131 CA PRO A 9 18.798 -20.330 -5.802 1.00 0.00 C ATOM 132 C PRO A 9 17.796 -21.378 -6.369 1.00 0.00 C ATOM 133 O PRO A 9 18.070 -22.030 -7.379 1.00 0.00 O ATOM 134 CB PRO A 9 19.739 -20.961 -4.741 1.00 0.00 C ATOM 135 CG PRO A 9 19.995 -19.849 -3.766 1.00 0.00 C ATOM 136 CD PRO A 9 18.694 -19.084 -3.677 1.00 0.00 C ATOM 0 HA PRO A 9 19.318 -19.966 -6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.272 -21.817 -4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.666 -21.316 -5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 9 20.288 -20.241 -2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.806 -19.206 -4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 9 18.027 -19.507 -2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.856 -18.040 -3.407 1.00 0.00 H new ATOM 144 N ARG A 10 16.629 -21.502 -5.703 1.00 0.00 N ATOM 145 CA ARG A 10 15.571 -22.493 -6.055 1.00 0.00 C ATOM 146 C ARG A 10 14.529 -21.931 -7.069 1.00 0.00 C ATOM 147 O ARG A 10 13.580 -22.640 -7.432 1.00 0.00 O ATOM 148 CB ARG A 10 14.865 -22.989 -4.754 1.00 0.00 C ATOM 149 CG ARG A 10 14.185 -21.870 -3.938 1.00 0.00 C ATOM 150 CD ARG A 10 13.668 -22.337 -2.573 1.00 0.00 C ATOM 151 NE ARG A 10 12.534 -23.267 -2.661 1.00 0.00 N ATOM 152 CZ ARG A 10 11.895 -23.797 -1.605 1.00 0.00 C ATOM 153 NH1 ARG A 10 12.344 -23.601 -0.358 1.00 0.00 N ATOM 154 NH2 ARG A 10 10.822 -24.538 -1.801 1.00 0.00 N ATOM 0 H ARG A 10 16.386 -20.919 -4.902 1.00 0.00 H new ATOM 0 HA ARG A 10 16.059 -23.332 -6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.116 -23.734 -5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.600 -23.488 -4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.895 -21.056 -3.790 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.353 -21.466 -4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.482 -22.819 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.369 -21.466 -1.990 1.00 0.00 H new ATOM 0 HE ARG A 10 12.208 -23.529 -3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.183 -23.042 -0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.847 -24.010 0.433 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.484 -24.705 -2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.331 -24.944 -1.005 1.00 0.00 H new ATOM 168 N GLY A 11 14.721 -20.674 -7.537 1.00 0.00 N ATOM 169 CA GLY A 11 13.817 -20.044 -8.528 1.00 0.00 C ATOM 170 C GLY A 11 13.495 -18.594 -8.184 1.00 0.00 C ATOM 171 O GLY A 11 14.312 -17.912 -7.581 1.00 0.00 O ATOM 0 H GLY A 11 15.494 -20.077 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.278 -20.086 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.890 -20.615 -8.585 1.00 0.00 H new ATOM 175 N GLU A 12 12.305 -18.113 -8.580 1.00 0.00 N ATOM 176 CA GLU A 12 11.784 -16.792 -8.161 1.00 0.00 C ATOM 177 C GLU A 12 10.612 -17.011 -7.193 1.00 0.00 C ATOM 178 O GLU A 12 9.773 -17.885 -7.425 1.00 0.00 O ATOM 179 CB GLU A 12 11.324 -15.952 -9.384 1.00 0.00 C ATOM 180 CG GLU A 12 10.802 -14.545 -9.020 1.00 0.00 C ATOM 181 CD GLU A 12 10.337 -13.723 -10.238 1.00 0.00 C ATOM 182 OE1 GLU A 12 9.162 -13.854 -10.655 1.00 0.00 O ATOM 183 OE2 GLU A 12 11.152 -12.959 -10.800 1.00 0.00 O ATOM 0 H GLU A 12 11.675 -18.624 -9.198 1.00 0.00 H new ATOM 0 HA GLU A 12 12.580 -16.236 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.159 -15.850 -10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.538 -16.495 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.971 -14.645 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.590 -13.997 -8.502 1.00 0.00 H new ATOM 190 N ILE A 13 10.556 -16.210 -6.118 1.00 0.00 N ATOM 191 CA ILE A 13 9.557 -16.334 -5.042 1.00 0.00 C ATOM 192 C ILE A 13 8.859 -14.967 -4.873 1.00 0.00 C ATOM 193 O ILE A 13 9.524 -13.952 -4.640 1.00 0.00 O ATOM 194 CB ILE A 13 10.223 -16.776 -3.675 1.00 0.00 C ATOM 195 CG1 ILE A 13 11.147 -18.031 -3.853 1.00 0.00 C ATOM 196 CG2 ILE A 13 9.146 -17.042 -2.596 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.461 -19.294 -4.347 1.00 0.00 C ATOM 0 H ILE A 13 11.214 -15.445 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 13 8.835 -17.105 -5.313 1.00 0.00 H new ATOM 0 HB ILE A 13 10.852 -15.950 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.943 -17.776 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.621 -18.248 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.629 -17.344 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.569 -16.133 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.481 -17.836 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.194 -20.096 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.684 -19.586 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.012 -19.106 -5.322 1.00 0.00 H new ATOM 209 N LEU A 14 7.526 -14.950 -5.007 1.00 0.00 N ATOM 210 CA LEU A 14 6.719 -13.716 -4.985 1.00 0.00 C ATOM 211 C LEU A 14 5.975 -13.573 -3.646 1.00 0.00 C ATOM 212 O LEU A 14 5.415 -14.558 -3.150 1.00 0.00 O ATOM 213 CB LEU A 14 5.708 -13.752 -6.166 1.00 0.00 C ATOM 214 CG LEU A 14 6.335 -13.895 -7.591 1.00 0.00 C ATOM 215 CD1 LEU A 14 5.244 -14.003 -8.671 1.00 0.00 C ATOM 216 CD2 LEU A 14 7.313 -12.738 -7.888 1.00 0.00 C ATOM 0 H LEU A 14 6.971 -15.796 -5.135 1.00 0.00 H new ATOM 0 HA LEU A 14 7.378 -12.854 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.021 -14.583 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.115 -12.838 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 14 6.908 -14.822 -7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.711 -14.101 -9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.623 -14.877 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.624 -13.107 -8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.733 -12.864 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.780 -11.789 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.117 -12.743 -7.152 1.00 0.00 H new ATOM 228 N ASN A 15 6.015 -12.344 -3.084 1.00 0.00 N ATOM 229 CA ASN A 15 5.239 -11.931 -1.897 1.00 0.00 C ATOM 230 C ASN A 15 5.611 -12.770 -0.659 1.00 0.00 C ATOM 231 O ASN A 15 4.868 -13.667 -0.243 1.00 0.00 O ATOM 232 CB ASN A 15 3.710 -11.963 -2.188 1.00 0.00 C ATOM 233 CG ASN A 15 3.276 -11.076 -3.368 1.00 0.00 C ATOM 234 OD1 ASN A 15 3.843 -10.008 -3.607 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.271 -11.515 -4.116 1.00 0.00 N ATOM 0 H ASN A 15 6.602 -11.596 -3.453 1.00 0.00 H new ATOM 0 HA ASN A 15 5.502 -10.898 -1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.411 -12.991 -2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.174 -11.646 -1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.949 -10.964 -4.912 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.820 -12.403 -3.895 1.00 0.00 H new ATOM 242 N VAL A 16 6.797 -12.483 -0.113 1.00 0.00 N ATOM 243 CA VAL A 16 7.370 -13.213 1.022 1.00 0.00 C ATOM 244 C VAL A 16 8.279 -12.282 1.838 1.00 0.00 C ATOM 245 O VAL A 16 9.046 -11.515 1.266 1.00 0.00 O ATOM 246 CB VAL A 16 8.172 -14.477 0.539 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.256 -14.114 -0.501 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.784 -15.252 1.730 1.00 0.00 C ATOM 0 H VAL A 16 7.393 -11.728 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 16 6.552 -13.559 1.655 1.00 0.00 H new ATOM 0 HB VAL A 16 7.455 -15.133 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.784 -15.017 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.786 -13.657 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.963 -13.412 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.331 -16.119 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.466 -14.600 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.987 -15.584 2.396 1.00 0.00 H new ATOM 258 N SER A 17 8.176 -12.352 3.176 1.00 0.00 N ATOM 259 CA SER A 17 8.989 -11.533 4.100 1.00 0.00 C ATOM 260 C SER A 17 10.495 -11.829 3.956 1.00 0.00 C ATOM 261 O SER A 17 10.878 -12.888 3.449 1.00 0.00 O ATOM 262 CB SER A 17 8.532 -11.790 5.551 1.00 0.00 C ATOM 263 OG SER A 17 8.597 -13.171 5.869 1.00 0.00 O ATOM 0 H SER A 17 7.526 -12.978 3.651 1.00 0.00 H new ATOM 0 HA SER A 17 8.839 -10.484 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.161 -11.225 6.239 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.512 -11.431 5.683 1.00 0.00 H new ATOM 0 HG SER A 17 8.304 -13.308 6.794 1.00 0.00 H new ATOM 269 N GLU A 18 11.335 -10.903 4.441 1.00 0.00 N ATOM 270 CA GLU A 18 12.804 -11.039 4.391 1.00 0.00 C ATOM 271 C GLU A 18 13.233 -12.247 5.246 1.00 0.00 C ATOM 272 O GLU A 18 14.155 -12.984 4.894 1.00 0.00 O ATOM 273 CB GLU A 18 13.502 -9.748 4.920 1.00 0.00 C ATOM 274 CG GLU A 18 13.090 -8.418 4.240 1.00 0.00 C ATOM 275 CD GLU A 18 11.705 -7.898 4.682 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.601 -7.383 5.816 1.00 0.00 O ATOM 277 OE2 GLU A 18 10.710 -8.052 3.936 1.00 0.00 O ATOM 0 H GLU A 18 11.019 -10.038 4.879 1.00 0.00 H new ATOM 0 HA GLU A 18 13.105 -11.191 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.301 -9.663 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.579 -9.871 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.841 -7.659 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.088 -8.558 3.159 1.00 0.00 H new ATOM 284 N GLN A 19 12.497 -12.442 6.357 1.00 0.00 N ATOM 285 CA GLN A 19 12.740 -13.513 7.328 1.00 0.00 C ATOM 286 C GLN A 19 12.565 -14.894 6.664 1.00 0.00 C ATOM 287 O GLN A 19 13.490 -15.703 6.667 1.00 0.00 O ATOM 288 CB GLN A 19 11.769 -13.367 8.530 1.00 0.00 C ATOM 289 CG GLN A 19 11.765 -11.978 9.206 1.00 0.00 C ATOM 290 CD GLN A 19 13.113 -11.562 9.805 1.00 0.00 C ATOM 291 OE1 GLN A 19 13.916 -12.392 10.222 1.00 0.00 O ATOM 292 NE2 GLN A 19 13.353 -10.266 9.884 1.00 0.00 N ATOM 0 H GLN A 19 11.706 -11.848 6.604 1.00 0.00 H new ATOM 0 HA GLN A 19 13.765 -13.433 7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.758 -13.591 8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.027 -14.117 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.461 -11.231 8.472 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.013 -11.974 9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.668 -9.598 9.530 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.223 -9.933 10.299 1.00 0.00 H new ATOM 301 N GLU A 20 11.380 -15.121 6.060 1.00 0.00 N ATOM 302 CA GLU A 20 11.018 -16.416 5.441 1.00 0.00 C ATOM 303 C GLU A 20 11.836 -16.674 4.156 1.00 0.00 C ATOM 304 O GLU A 20 12.259 -17.808 3.910 1.00 0.00 O ATOM 305 CB GLU A 20 9.488 -16.465 5.154 1.00 0.00 C ATOM 306 CG GLU A 20 8.997 -17.778 4.503 1.00 0.00 C ATOM 307 CD GLU A 20 7.465 -17.886 4.390 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.820 -18.310 5.371 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.900 -17.554 3.324 1.00 0.00 O ATOM 0 H GLU A 20 10.648 -14.415 5.987 1.00 0.00 H new ATOM 0 HA GLU A 20 11.263 -17.212 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.951 -16.316 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.227 -15.632 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.431 -17.862 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.369 -18.621 5.085 1.00 0.00 H new ATOM 316 N ALA A 21 12.024 -15.620 3.336 1.00 0.00 N ATOM 317 CA ALA A 21 12.883 -15.683 2.128 1.00 0.00 C ATOM 318 C ALA A 21 14.304 -16.205 2.449 1.00 0.00 C ATOM 319 O ALA A 21 14.791 -17.110 1.776 1.00 0.00 O ATOM 320 CB ALA A 21 12.941 -14.322 1.425 1.00 0.00 C ATOM 0 H ALA A 21 11.591 -14.709 3.487 1.00 0.00 H new ATOM 0 HA ALA A 21 12.427 -16.401 1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.577 -14.395 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.936 -14.025 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.351 -13.577 2.107 1.00 0.00 H new ATOM 326 N ARG A 22 14.941 -15.655 3.502 1.00 0.00 N ATOM 327 CA ARG A 22 16.291 -16.092 3.934 1.00 0.00 C ATOM 328 C ARG A 22 16.259 -17.513 4.528 1.00 0.00 C ATOM 329 O ARG A 22 17.113 -18.343 4.222 1.00 0.00 O ATOM 330 CB ARG A 22 16.883 -15.134 5.003 1.00 0.00 C ATOM 331 CG ARG A 22 17.200 -13.716 4.509 1.00 0.00 C ATOM 332 CD ARG A 22 17.923 -12.857 5.563 1.00 0.00 C ATOM 333 NE ARG A 22 19.217 -13.450 5.960 1.00 0.00 N ATOM 334 CZ ARG A 22 20.348 -12.780 6.238 1.00 0.00 C ATOM 335 NH1 ARG A 22 20.398 -11.452 6.218 1.00 0.00 N ATOM 336 NH2 ARG A 22 21.443 -13.463 6.532 1.00 0.00 N ATOM 0 H ARG A 22 14.545 -14.907 4.071 1.00 0.00 H new ATOM 0 HA ARG A 22 16.917 -16.080 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.180 -15.063 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.798 -15.577 5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.819 -13.779 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.272 -13.222 4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.089 -11.856 5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.288 -12.749 6.442 1.00 0.00 H new ATOM 0 HE ARG A 22 19.255 -14.467 6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.563 -10.914 5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.271 -10.971 6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.420 -14.483 6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 22 22.310 -12.970 6.745 1.00 0.00 H new ATOM 350 N ASP A 23 15.253 -17.768 5.386 1.00 0.00 N ATOM 351 CA ASP A 23 15.201 -18.975 6.245 1.00 0.00 C ATOM 352 C ASP A 23 14.766 -20.220 5.442 1.00 0.00 C ATOM 353 O ASP A 23 15.524 -21.188 5.322 1.00 0.00 O ATOM 354 CB ASP A 23 14.239 -18.716 7.445 1.00 0.00 C ATOM 355 CG ASP A 23 14.127 -19.902 8.413 1.00 0.00 C ATOM 356 OD1 ASP A 23 15.093 -20.167 9.161 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.082 -20.584 8.429 1.00 0.00 O ATOM 0 H ASP A 23 14.453 -17.147 5.506 1.00 0.00 H new ATOM 0 HA ASP A 23 16.202 -19.177 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.586 -17.841 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.248 -18.478 7.060 1.00 0.00 H new ATOM 362 N VAL A 24 13.548 -20.162 4.887 1.00 0.00 N ATOM 363 CA VAL A 24 12.913 -21.295 4.181 1.00 0.00 C ATOM 364 C VAL A 24 13.429 -21.405 2.729 1.00 0.00 C ATOM 365 O VAL A 24 13.818 -22.491 2.278 1.00 0.00 O ATOM 366 CB VAL A 24 11.339 -21.148 4.193 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.638 -22.365 3.533 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.819 -20.919 5.640 1.00 0.00 C ATOM 0 H VAL A 24 12.967 -19.324 4.913 1.00 0.00 H new ATOM 0 HA VAL A 24 13.182 -22.210 4.709 1.00 0.00 H new ATOM 0 HB VAL A 24 11.088 -20.272 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.558 -22.223 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.964 -22.455 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.899 -23.274 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.734 -20.820 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.098 -21.767 6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.260 -20.009 6.045 1.00 0.00 H new ATOM 378 N PHE A 25 13.438 -20.267 2.017 1.00 0.00 N ATOM 379 CA PHE A 25 13.768 -20.221 0.572 1.00 0.00 C ATOM 380 C PHE A 25 15.276 -20.045 0.310 1.00 0.00 C ATOM 381 O PHE A 25 15.720 -20.187 -0.838 1.00 0.00 O ATOM 382 CB PHE A 25 12.940 -19.108 -0.117 1.00 0.00 C ATOM 383 CG PHE A 25 11.431 -19.338 -0.023 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.824 -20.339 -0.785 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.623 -18.579 0.826 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.464 -20.572 -0.700 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.264 -18.815 0.906 1.00 0.00 C ATOM 388 CZ PHE A 25 8.685 -19.808 0.144 1.00 0.00 C ATOM 0 H PHE A 25 13.219 -19.355 2.418 1.00 0.00 H new ATOM 0 HA PHE A 25 13.501 -21.185 0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.184 -18.148 0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.228 -19.046 -1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.426 -20.940 -1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.065 -17.798 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.011 -21.352 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.653 -18.219 1.568 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.622 -19.987 0.208 1.00 0.00 H new ATOM 398 N GLY A 26 16.047 -19.750 1.376 1.00 0.00 N ATOM 399 CA GLY A 26 17.510 -19.685 1.296 1.00 0.00 C ATOM 400 C GLY A 26 18.028 -18.611 0.342 1.00 0.00 C ATOM 401 O GLY A 26 19.006 -18.830 -0.383 1.00 0.00 O ATOM 0 H GLY A 26 15.673 -19.553 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.911 -19.497 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.891 -20.655 0.977 1.00 0.00 H new ATOM 405 N ALA A 27 17.356 -17.450 0.350 1.00 0.00 N ATOM 406 CA ALA A 27 17.691 -16.306 -0.513 1.00 0.00 C ATOM 407 C ALA A 27 18.968 -15.605 -0.026 1.00 0.00 C ATOM 408 O ALA A 27 19.315 -15.677 1.152 1.00 0.00 O ATOM 409 CB ALA A 27 16.527 -15.305 -0.545 1.00 0.00 C ATOM 0 H ALA A 27 16.558 -17.277 0.961 1.00 0.00 H new ATOM 0 HA ALA A 27 17.867 -16.684 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.788 -14.464 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.635 -15.796 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.330 -14.944 0.464 1.00 0.00 H new ATOM 415 N SER A 28 19.634 -14.908 -0.944 1.00 0.00 N ATOM 416 CA SER A 28 20.906 -14.217 -0.682 1.00 0.00 C ATOM 417 C SER A 28 20.642 -12.801 -0.165 1.00 0.00 C ATOM 418 O SER A 28 19.665 -12.166 -0.558 1.00 0.00 O ATOM 419 CB SER A 28 21.739 -14.166 -1.974 1.00 0.00 C ATOM 420 OG SER A 28 21.962 -15.467 -2.482 1.00 0.00 O ATOM 0 H SER A 28 19.306 -14.803 -1.904 1.00 0.00 H new ATOM 0 HA SER A 28 21.461 -14.764 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 28 21.223 -13.563 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 28 22.694 -13.680 -1.777 1.00 0.00 H new ATOM 0 HG SER A 28 22.492 -15.411 -3.304 1.00 0.00 H new ATOM 426 N GLU A 29 21.551 -12.305 0.678 1.00 0.00 N ATOM 427 CA GLU A 29 21.412 -10.990 1.342 1.00 0.00 C ATOM 428 C GLU A 29 21.422 -9.827 0.322 1.00 0.00 C ATOM 429 O GLU A 29 20.821 -8.776 0.564 1.00 0.00 O ATOM 430 CB GLU A 29 22.531 -10.837 2.386 1.00 0.00 C ATOM 431 CG GLU A 29 22.491 -11.928 3.465 1.00 0.00 C ATOM 432 CD GLU A 29 23.587 -11.773 4.529 1.00 0.00 C ATOM 433 OE1 GLU A 29 24.692 -12.331 4.346 1.00 0.00 O ATOM 434 OE2 GLU A 29 23.348 -11.098 5.556 1.00 0.00 O ATOM 0 H GLU A 29 22.409 -12.799 0.925 1.00 0.00 H new ATOM 0 HA GLU A 29 20.445 -10.946 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.497 -10.865 1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.447 -9.859 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.516 -11.911 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 29 22.592 -12.903 2.989 1.00 0.00 H new ATOM 441 N GLN A 30 22.081 -10.055 -0.831 1.00 0.00 N ATOM 442 CA GLN A 30 22.085 -9.110 -1.970 1.00 0.00 C ATOM 443 C GLN A 30 20.690 -9.076 -2.631 1.00 0.00 C ATOM 444 O GLN A 30 20.222 -8.022 -3.065 1.00 0.00 O ATOM 445 CB GLN A 30 23.160 -9.513 -3.015 1.00 0.00 C ATOM 446 CG GLN A 30 24.598 -9.607 -2.459 1.00 0.00 C ATOM 447 CD GLN A 30 25.643 -10.032 -3.500 1.00 0.00 C ATOM 448 OE1 GLN A 30 25.331 -10.742 -4.464 1.00 0.00 O ATOM 449 NE2 GLN A 30 26.893 -9.628 -3.297 1.00 0.00 N ATOM 0 H GLN A 30 22.627 -10.900 -1.001 1.00 0.00 H new ATOM 0 HA GLN A 30 22.327 -8.116 -1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.887 -10.477 -3.443 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.146 -8.788 -3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.882 -8.638 -2.049 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.612 -10.319 -1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 30 27.115 -9.043 -2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 30 27.630 -9.903 -3.947 1.00 0.00 H new ATOM 458 N ALA A 31 20.027 -10.249 -2.661 1.00 0.00 N ATOM 459 CA ALA A 31 18.685 -10.419 -3.248 1.00 0.00 C ATOM 460 C ALA A 31 17.603 -9.933 -2.262 1.00 0.00 C ATOM 461 O ALA A 31 16.531 -9.485 -2.684 1.00 0.00 O ATOM 462 CB ALA A 31 18.449 -11.894 -3.625 1.00 0.00 C ATOM 0 H ALA A 31 20.412 -11.111 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 31 18.622 -9.816 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.454 -12.004 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.198 -12.208 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.528 -12.515 -2.733 1.00 0.00 H new ATOM 468 N ILE A 32 17.926 -9.956 -0.951 1.00 0.00 N ATOM 469 CA ILE A 32 16.953 -9.626 0.113 1.00 0.00 C ATOM 470 C ILE A 32 16.883 -8.110 0.233 1.00 0.00 C ATOM 471 O ILE A 32 15.804 -7.537 0.378 1.00 0.00 O ATOM 472 CB ILE A 32 17.369 -10.244 1.502 1.00 0.00 C ATOM 473 CG1 ILE A 32 17.287 -11.794 1.462 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.517 -9.685 2.674 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.888 -12.341 1.294 1.00 0.00 C ATOM 0 H ILE A 32 18.854 -10.200 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 32 15.984 -10.047 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 32 18.403 -9.950 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.907 -12.157 0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.711 -12.192 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.841 -10.141 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.645 -8.604 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.466 -9.917 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.923 -13.430 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.266 -12.011 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.465 -11.976 0.358 1.00 0.00 H new ATOM 487 N ALA A 33 18.066 -7.477 0.113 1.00 0.00 N ATOM 488 CA ALA A 33 18.228 -6.045 0.341 1.00 0.00 C ATOM 489 C ALA A 33 17.760 -5.281 -0.900 1.00 0.00 C ATOM 490 O ALA A 33 17.196 -4.206 -0.784 1.00 0.00 O ATOM 491 CB ALA A 33 19.689 -5.713 0.678 1.00 0.00 C ATOM 0 H ALA A 33 18.931 -7.952 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 33 17.619 -5.742 1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.789 -4.640 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.985 -6.249 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.331 -6.013 -0.150 1.00 0.00 H new ATOM 497 N ASP A 34 18.040 -5.848 -2.100 1.00 0.00 N ATOM 498 CA ASP A 34 17.550 -5.297 -3.384 1.00 0.00 C ATOM 499 C ASP A 34 16.015 -5.313 -3.429 1.00 0.00 C ATOM 500 O ASP A 34 15.390 -4.318 -3.802 1.00 0.00 O ATOM 501 CB ASP A 34 18.128 -6.082 -4.599 1.00 0.00 C ATOM 502 CG ASP A 34 17.973 -5.305 -5.930 1.00 0.00 C ATOM 503 OD1 ASP A 34 16.889 -5.360 -6.551 1.00 0.00 O ATOM 504 OD2 ASP A 34 18.936 -4.622 -6.353 1.00 0.00 O ATOM 0 H ASP A 34 18.606 -6.691 -2.203 1.00 0.00 H new ATOM 0 HA ASP A 34 17.896 -4.266 -3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.183 -6.292 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.621 -7.044 -4.681 1.00 0.00 H new ATOM 509 N ALA A 35 15.424 -6.452 -3.021 1.00 0.00 N ATOM 510 CA ALA A 35 13.962 -6.633 -3.011 1.00 0.00 C ATOM 511 C ALA A 35 13.296 -5.738 -1.950 1.00 0.00 C ATOM 512 O ALA A 35 12.193 -5.228 -2.164 1.00 0.00 O ATOM 513 CB ALA A 35 13.612 -8.107 -2.766 1.00 0.00 C ATOM 0 H ALA A 35 15.943 -7.266 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 35 13.578 -6.336 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.529 -8.228 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.042 -8.720 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.017 -8.422 -1.804 1.00 0.00 H new ATOM 519 N ARG A 36 13.980 -5.595 -0.792 1.00 0.00 N ATOM 520 CA ARG A 36 13.540 -4.719 0.320 1.00 0.00 C ATOM 521 C ARG A 36 13.518 -3.270 -0.148 1.00 0.00 C ATOM 522 O ARG A 36 12.505 -2.597 -0.042 1.00 0.00 O ATOM 523 CB ARG A 36 14.477 -4.881 1.543 1.00 0.00 C ATOM 524 CG ARG A 36 14.093 -4.042 2.784 1.00 0.00 C ATOM 525 CD ARG A 36 15.140 -4.158 3.904 1.00 0.00 C ATOM 526 NE ARG A 36 16.470 -3.693 3.464 1.00 0.00 N ATOM 527 CZ ARG A 36 17.615 -3.845 4.149 1.00 0.00 C ATOM 528 NH1 ARG A 36 17.651 -4.501 5.301 1.00 0.00 N ATOM 529 NH2 ARG A 36 18.732 -3.344 3.653 1.00 0.00 N ATOM 0 H ARG A 36 14.854 -6.084 -0.601 1.00 0.00 H new ATOM 0 HA ARG A 36 12.534 -5.009 0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.497 -5.933 1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.490 -4.613 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.985 -2.996 2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.124 -4.371 3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.817 -3.573 4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.208 -5.195 4.231 1.00 0.00 H new ATOM 0 HE ARG A 36 16.524 -3.216 2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.796 -4.904 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.533 -4.603 5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.717 -2.849 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.609 -3.452 4.162 1.00 0.00 H new ATOM 543 N LYS A 37 14.656 -2.840 -0.711 1.00 0.00 N ATOM 544 CA LYS A 37 14.835 -1.526 -1.353 1.00 0.00 C ATOM 545 C LYS A 37 13.712 -1.238 -2.353 1.00 0.00 C ATOM 546 O LYS A 37 13.142 -0.162 -2.335 1.00 0.00 O ATOM 547 CB LYS A 37 16.193 -1.492 -2.103 1.00 0.00 C ATOM 548 CG LYS A 37 16.444 -0.247 -3.003 1.00 0.00 C ATOM 549 CD LYS A 37 17.506 -0.509 -4.089 1.00 0.00 C ATOM 550 CE LYS A 37 17.076 -1.630 -5.056 1.00 0.00 C ATOM 551 NZ LYS A 37 18.063 -1.866 -6.131 1.00 0.00 N ATOM 0 H LYS A 37 15.501 -3.410 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 37 14.813 -0.766 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.994 -1.550 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.265 -2.385 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.509 0.049 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.764 0.589 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.683 0.407 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.450 -0.780 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.929 -2.552 -4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.115 -1.372 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.591 -1.803 -7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.814 -1.149 -6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.479 -2.813 -6.019 1.00 0.00 H new ATOM 565 N ALA A 38 13.351 -2.256 -3.148 1.00 0.00 N ATOM 566 CA ALA A 38 12.472 -2.081 -4.299 1.00 0.00 C ATOM 567 C ALA A 38 11.011 -1.950 -3.836 1.00 0.00 C ATOM 568 O ALA A 38 10.316 -1.014 -4.239 1.00 0.00 O ATOM 569 CB ALA A 38 12.635 -3.263 -5.264 1.00 0.00 C ATOM 0 H ALA A 38 13.662 -3.217 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 38 12.746 -1.166 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.976 -3.126 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.669 -3.314 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.376 -4.190 -4.751 1.00 0.00 H new ATOM 575 N THR A 39 10.581 -2.877 -2.950 1.00 0.00 N ATOM 576 CA THR A 39 9.189 -2.959 -2.475 1.00 0.00 C ATOM 577 C THR A 39 8.875 -1.809 -1.492 1.00 0.00 C ATOM 578 O THR A 39 7.763 -1.299 -1.490 1.00 0.00 O ATOM 579 CB THR A 39 8.890 -4.349 -1.812 1.00 0.00 C ATOM 580 OG1 THR A 39 9.281 -5.416 -2.694 1.00 0.00 O ATOM 581 CG2 THR A 39 7.401 -4.518 -1.476 1.00 0.00 C ATOM 0 H THR A 39 11.192 -3.587 -2.547 1.00 0.00 H new ATOM 0 HA THR A 39 8.539 -2.857 -3.344 1.00 0.00 H new ATOM 0 HB THR A 39 9.465 -4.388 -0.887 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.253 -5.533 -2.655 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.240 -5.494 -1.019 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.094 -3.737 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.811 -4.443 -2.390 1.00 0.00 H new ATOM 589 N ILE A 40 9.878 -1.393 -0.684 1.00 0.00 N ATOM 590 CA ILE A 40 9.770 -0.196 0.179 1.00 0.00 C ATOM 591 C ILE A 40 9.596 1.048 -0.711 1.00 0.00 C ATOM 592 O ILE A 40 8.577 1.713 -0.623 1.00 0.00 O ATOM 593 CB ILE A 40 11.021 -0.038 1.140 1.00 0.00 C ATOM 594 CG1 ILE A 40 11.006 -1.130 2.255 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.117 1.382 1.763 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.877 -0.994 3.264 1.00 0.00 C ATOM 0 H ILE A 40 10.775 -1.873 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 40 8.899 -0.311 0.824 1.00 0.00 H new ATOM 0 HB ILE A 40 11.910 -0.176 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.937 -2.110 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.956 -1.099 2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.991 1.436 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.209 2.122 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.219 1.585 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.948 -1.795 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.954 -0.031 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.919 -1.058 2.749 1.00 0.00 H new ATOM 608 N LEU A 41 10.561 1.268 -1.624 1.00 0.00 N ATOM 609 CA LEU A 41 10.549 2.388 -2.609 1.00 0.00 C ATOM 610 C LEU A 41 9.256 2.400 -3.465 1.00 0.00 C ATOM 611 O LEU A 41 8.820 3.460 -3.933 1.00 0.00 O ATOM 612 CB LEU A 41 11.861 2.327 -3.476 1.00 0.00 C ATOM 613 CG LEU A 41 11.851 2.964 -4.920 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.211 3.617 -5.267 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.475 1.914 -6.004 1.00 0.00 C ATOM 0 H LEU A 41 11.384 0.671 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 41 10.539 3.337 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.655 2.812 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.139 1.278 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 41 11.088 3.743 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.164 4.044 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.431 4.405 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.997 2.862 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.478 2.388 -6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.201 1.101 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.482 1.516 -5.796 1.00 0.00 H new ATOM 627 N GLN A 42 8.637 1.219 -3.619 1.00 0.00 N ATOM 628 CA GLN A 42 7.385 1.045 -4.371 1.00 0.00 C ATOM 629 C GLN A 42 6.202 1.489 -3.498 1.00 0.00 C ATOM 630 O GLN A 42 5.371 2.287 -3.915 1.00 0.00 O ATOM 631 CB GLN A 42 7.203 -0.443 -4.767 1.00 0.00 C ATOM 632 CG GLN A 42 5.887 -0.771 -5.509 1.00 0.00 C ATOM 633 CD GLN A 42 5.633 -2.270 -5.690 1.00 0.00 C ATOM 634 OE1 GLN A 42 6.038 -3.093 -4.866 1.00 0.00 O ATOM 635 NE2 GLN A 42 4.915 -2.631 -6.744 1.00 0.00 N ATOM 0 H GLN A 42 8.995 0.351 -3.221 1.00 0.00 H new ATOM 0 HA GLN A 42 7.425 1.651 -5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.041 -0.739 -5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.253 -1.051 -3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.053 -0.335 -4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.906 -0.295 -6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.594 -1.926 -7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.683 -3.613 -6.891 1.00 0.00 H new ATOM 644 N THR A 43 6.179 0.977 -2.255 1.00 0.00 N ATOM 645 CA THR A 43 5.067 1.182 -1.317 1.00 0.00 C ATOM 646 C THR A 43 4.969 2.665 -0.913 1.00 0.00 C ATOM 647 O THR A 43 3.881 3.214 -0.928 1.00 0.00 O ATOM 648 CB THR A 43 5.201 0.272 -0.042 1.00 0.00 C ATOM 649 OG1 THR A 43 5.190 -1.113 -0.428 1.00 0.00 O ATOM 650 CG2 THR A 43 4.069 0.513 0.986 1.00 0.00 C ATOM 0 H THR A 43 6.935 0.408 -1.874 1.00 0.00 H new ATOM 0 HA THR A 43 4.149 0.894 -1.830 1.00 0.00 H new ATOM 0 HB THR A 43 6.146 0.534 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.051 -1.346 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.212 -0.142 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.091 1.552 1.314 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.106 0.299 0.523 1.00 0.00 H new ATOM 658 N LEU A 44 6.128 3.299 -0.635 1.00 0.00 N ATOM 659 CA LEU A 44 6.206 4.697 -0.153 1.00 0.00 C ATOM 660 C LEU A 44 5.562 5.677 -1.162 1.00 0.00 C ATOM 661 O LEU A 44 4.800 6.570 -0.774 1.00 0.00 O ATOM 662 CB LEU A 44 7.684 5.118 0.125 1.00 0.00 C ATOM 663 CG LEU A 44 8.509 4.275 1.151 1.00 0.00 C ATOM 664 CD1 LEU A 44 9.878 4.934 1.425 1.00 0.00 C ATOM 665 CD2 LEU A 44 7.725 3.997 2.452 1.00 0.00 C ATOM 0 H LEU A 44 7.040 2.855 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 44 5.648 4.745 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.219 5.104 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.677 6.151 0.472 1.00 0.00 H new ATOM 0 HG LEU A 44 8.693 3.300 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.435 4.331 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.441 5.004 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.726 5.933 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.343 3.408 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.463 4.942 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.815 3.444 2.218 1.00 0.00 H new ATOM 677 N ARG A 45 5.868 5.478 -2.464 1.00 0.00 N ATOM 678 CA ARG A 45 5.318 6.319 -3.550 1.00 0.00 C ATOM 679 C ARG A 45 3.833 5.989 -3.815 1.00 0.00 C ATOM 680 O ARG A 45 3.077 6.846 -4.255 1.00 0.00 O ATOM 681 CB ARG A 45 6.155 6.165 -4.854 1.00 0.00 C ATOM 682 CG ARG A 45 6.029 4.790 -5.567 1.00 0.00 C ATOM 683 CD ARG A 45 6.894 4.670 -6.840 1.00 0.00 C ATOM 684 NE ARG A 45 8.338 4.748 -6.541 1.00 0.00 N ATOM 685 CZ ARG A 45 9.157 5.758 -6.886 1.00 0.00 C ATOM 686 NH1 ARG A 45 8.692 6.828 -7.531 1.00 0.00 N ATOM 687 NH2 ARG A 45 10.436 5.702 -6.559 1.00 0.00 N ATOM 0 H ARG A 45 6.494 4.741 -2.788 1.00 0.00 H new ATOM 0 HA ARG A 45 5.380 7.358 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.856 6.946 -5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.204 6.337 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.313 4.002 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.985 4.622 -5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.678 3.724 -7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.625 5.464 -7.536 1.00 0.00 H new ATOM 0 HE ARG A 45 8.750 3.968 -6.028 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.702 6.889 -7.770 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.326 7.585 -7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.797 4.896 -6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.062 6.464 -6.818 1.00 0.00 H new ATOM 701 N ILE A 46 3.424 4.738 -3.552 1.00 0.00 N ATOM 702 CA ILE A 46 2.022 4.298 -3.728 1.00 0.00 C ATOM 703 C ILE A 46 1.130 4.887 -2.616 1.00 0.00 C ATOM 704 O ILE A 46 0.018 5.333 -2.897 1.00 0.00 O ATOM 705 CB ILE A 46 1.923 2.716 -3.781 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.496 2.180 -5.136 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.483 2.187 -3.542 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.526 0.659 -5.266 1.00 0.00 C ATOM 0 H ILE A 46 4.047 4.004 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 46 1.659 4.675 -4.684 1.00 0.00 H new ATOM 0 HB ILE A 46 2.528 2.335 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.900 2.588 -5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.510 2.561 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.483 1.098 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.137 2.506 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.183 2.585 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.938 0.385 -6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.148 0.238 -4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.513 0.266 -5.178 1.00 0.00 H new ATOM 720 N GLU A 47 1.666 4.938 -1.375 1.00 0.00 N ATOM 721 CA GLU A 47 0.924 5.363 -0.164 1.00 0.00 C ATOM 722 C GLU A 47 0.327 6.769 -0.306 1.00 0.00 C ATOM 723 O GLU A 47 -0.790 7.007 0.153 1.00 0.00 O ATOM 724 CB GLU A 47 1.850 5.313 1.081 1.00 0.00 C ATOM 725 CG GLU A 47 2.217 3.910 1.595 1.00 0.00 C ATOM 726 CD GLU A 47 1.026 3.132 2.180 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.205 2.592 1.406 1.00 0.00 O ATOM 728 OE2 GLU A 47 0.903 3.063 3.425 1.00 0.00 O ATOM 0 H GLU A 47 2.635 4.683 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 47 0.097 4.665 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.772 5.844 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.366 5.859 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.648 3.334 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.989 4.004 2.359 1.00 0.00 H new ATOM 735 N ARG A 48 1.073 7.692 -0.952 1.00 0.00 N ATOM 736 CA ARG A 48 0.595 9.069 -1.166 1.00 0.00 C ATOM 737 C ARG A 48 -0.672 9.049 -2.030 1.00 0.00 C ATOM 738 O ARG A 48 -1.685 9.627 -1.653 1.00 0.00 O ATOM 739 CB ARG A 48 1.715 9.992 -1.756 1.00 0.00 C ATOM 740 CG ARG A 48 2.273 9.638 -3.170 1.00 0.00 C ATOM 741 CD ARG A 48 1.652 10.469 -4.322 1.00 0.00 C ATOM 742 NE ARG A 48 2.002 11.902 -4.223 1.00 0.00 N ATOM 743 CZ ARG A 48 1.531 12.878 -5.013 1.00 0.00 C ATOM 744 NH1 ARG A 48 0.643 12.629 -5.958 1.00 0.00 N ATOM 745 NH2 ARG A 48 1.948 14.115 -4.834 1.00 0.00 N ATOM 0 H ARG A 48 2.002 7.507 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 48 0.336 9.504 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.326 11.010 -1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.551 9.995 -1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.353 9.787 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.097 8.580 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.997 10.077 -5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.568 10.359 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 48 2.659 12.172 -3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.301 11.678 -6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.299 13.387 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.624 14.324 -4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.595 14.863 -5.430 1.00 0.00 H new ATOM 759 N ASP A 49 -0.620 8.281 -3.133 1.00 0.00 N ATOM 760 CA ASP A 49 -1.728 8.169 -4.098 1.00 0.00 C ATOM 761 C ASP A 49 -2.955 7.539 -3.425 1.00 0.00 C ATOM 762 O ASP A 49 -4.075 7.993 -3.639 1.00 0.00 O ATOM 763 CB ASP A 49 -1.282 7.326 -5.318 1.00 0.00 C ATOM 764 CG ASP A 49 -2.374 7.186 -6.394 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.533 8.114 -7.209 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.099 6.168 -6.405 1.00 0.00 O ATOM 0 H ASP A 49 0.194 7.719 -3.381 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.001 9.166 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.399 7.784 -5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.988 6.333 -4.977 1.00 0.00 H new ATOM 771 N GLU A 50 -2.700 6.512 -2.588 1.00 0.00 N ATOM 772 CA GLU A 50 -3.742 5.778 -1.843 1.00 0.00 C ATOM 773 C GLU A 50 -4.618 6.720 -1.006 1.00 0.00 C ATOM 774 O GLU A 50 -5.835 6.705 -1.129 1.00 0.00 O ATOM 775 CB GLU A 50 -3.100 4.716 -0.909 1.00 0.00 C ATOM 776 CG GLU A 50 -2.381 3.563 -1.626 1.00 0.00 C ATOM 777 CD GLU A 50 -3.307 2.775 -2.561 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.152 1.999 -2.059 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.217 2.930 -3.794 1.00 0.00 O ATOM 0 H GLU A 50 -1.757 6.167 -2.409 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.374 5.286 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.387 5.216 -0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.879 4.297 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.546 3.963 -2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.960 2.885 -0.883 1.00 0.00 H new ATOM 786 N ARG A 51 -3.962 7.548 -0.181 1.00 0.00 N ATOM 787 CA ARG A 51 -4.639 8.429 0.793 1.00 0.00 C ATOM 788 C ARG A 51 -5.417 9.547 0.078 1.00 0.00 C ATOM 789 O ARG A 51 -6.545 9.870 0.472 1.00 0.00 O ATOM 790 CB ARG A 51 -3.594 9.028 1.761 1.00 0.00 C ATOM 791 CG ARG A 51 -2.733 7.974 2.473 1.00 0.00 C ATOM 792 CD ARG A 51 -1.608 8.585 3.309 1.00 0.00 C ATOM 793 NE ARG A 51 -2.098 9.363 4.468 1.00 0.00 N ATOM 794 CZ ARG A 51 -1.814 9.097 5.755 1.00 0.00 C ATOM 795 NH1 ARG A 51 -1.173 7.977 6.099 1.00 0.00 N ATOM 796 NH2 ARG A 51 -2.188 9.946 6.697 1.00 0.00 N ATOM 0 H ARG A 51 -2.945 7.629 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.357 7.837 1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.942 9.701 1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.109 9.629 2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.370 7.369 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.302 7.303 1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.955 7.788 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.004 9.233 2.674 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.699 10.165 4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.892 7.309 5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.965 7.789 7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.689 10.798 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.975 9.749 7.675 1.00 0.00 H new ATOM 810 N LEU A 52 -4.803 10.103 -0.995 1.00 0.00 N ATOM 811 CA LEU A 52 -5.402 11.179 -1.816 1.00 0.00 C ATOM 812 C LEU A 52 -6.709 10.692 -2.461 1.00 0.00 C ATOM 813 O LEU A 52 -7.756 11.323 -2.298 1.00 0.00 O ATOM 814 CB LEU A 52 -4.401 11.658 -2.907 1.00 0.00 C ATOM 815 CG LEU A 52 -3.054 12.251 -2.389 1.00 0.00 C ATOM 816 CD1 LEU A 52 -2.096 12.564 -3.558 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.283 13.482 -1.490 1.00 0.00 C ATOM 0 H LEU A 52 -3.878 9.816 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.629 12.024 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.176 10.815 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.895 12.412 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.576 11.492 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.166 12.976 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.883 11.648 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.561 13.289 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.322 13.867 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.803 14.255 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.886 13.196 -0.628 1.00 0.00 H new ATOM 829 N ARG A 53 -6.643 9.522 -3.135 1.00 0.00 N ATOM 830 CA ARG A 53 -7.787 8.953 -3.875 1.00 0.00 C ATOM 831 C ARG A 53 -8.832 8.339 -2.919 1.00 0.00 C ATOM 832 O ARG A 53 -9.987 8.182 -3.291 1.00 0.00 O ATOM 833 CB ARG A 53 -7.308 7.895 -4.913 1.00 0.00 C ATOM 834 CG ARG A 53 -6.790 6.563 -4.311 1.00 0.00 C ATOM 835 CD ARG A 53 -6.335 5.561 -5.379 1.00 0.00 C ATOM 836 NE ARG A 53 -5.898 4.282 -4.785 1.00 0.00 N ATOM 837 CZ ARG A 53 -6.346 3.070 -5.146 1.00 0.00 C ATOM 838 NH1 ARG A 53 -7.192 2.918 -6.160 1.00 0.00 N ATOM 839 NH2 ARG A 53 -5.930 1.997 -4.489 1.00 0.00 N ATOM 0 H ARG A 53 -5.800 8.950 -3.180 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.267 9.771 -4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.134 7.672 -5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.514 8.335 -5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.958 6.773 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.579 6.111 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.153 5.377 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.516 5.992 -5.955 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.201 4.323 -4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.514 3.733 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.519 1.986 -6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.274 2.096 -3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.266 1.072 -4.758 1.00 0.00 H new ATOM 853 N ALA A 54 -8.408 7.993 -1.686 1.00 0.00 N ATOM 854 CA ALA A 54 -9.314 7.459 -0.643 1.00 0.00 C ATOM 855 C ALA A 54 -10.196 8.575 -0.046 1.00 0.00 C ATOM 856 O ALA A 54 -11.218 8.301 0.588 1.00 0.00 O ATOM 857 CB ALA A 54 -8.504 6.739 0.449 1.00 0.00 C ATOM 0 H ALA A 54 -7.437 8.074 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.982 6.733 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.182 6.351 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.947 5.914 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.808 7.441 0.908 1.00 0.00 H new ATOM 863 N CYS A 55 -9.783 9.832 -0.266 1.00 0.00 N ATOM 864 CA CYS A 55 -10.525 11.025 0.162 1.00 0.00 C ATOM 865 C CYS A 55 -11.348 11.607 -1.008 1.00 0.00 C ATOM 866 O CYS A 55 -11.631 12.806 -1.032 1.00 0.00 O ATOM 867 CB CYS A 55 -9.510 12.053 0.711 1.00 0.00 C ATOM 868 SG CYS A 55 -8.510 11.416 2.080 1.00 0.00 S ATOM 0 H CYS A 55 -8.913 10.050 -0.752 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.236 10.765 0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.849 12.367 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.048 12.940 1.046 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.395 10.935 1.616 1.00 0.00 H new ATOM 874 N ASP A 56 -11.747 10.749 -1.979 1.00 0.00 N ATOM 875 CA ASP A 56 -12.539 11.191 -3.149 1.00 0.00 C ATOM 876 C ASP A 56 -14.022 11.369 -2.780 1.00 0.00 C ATOM 877 O ASP A 56 -14.691 12.266 -3.309 1.00 0.00 O ATOM 878 CB ASP A 56 -12.389 10.198 -4.340 1.00 0.00 C ATOM 879 CG ASP A 56 -13.202 8.892 -4.190 1.00 0.00 C ATOM 880 OD1 ASP A 56 -12.861 8.062 -3.319 1.00 0.00 O ATOM 881 OD2 ASP A 56 -14.191 8.688 -4.935 1.00 0.00 O ATOM 0 H ASP A 56 -11.533 9.752 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.147 12.158 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.698 10.700 -5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.335 9.944 -4.455 1.00 0.00 H new ATOM 886 N TRP A 57 -14.504 10.527 -1.834 1.00 0.00 N ATOM 887 CA TRP A 57 -15.932 10.468 -1.442 1.00 0.00 C ATOM 888 C TRP A 57 -16.426 11.819 -0.879 1.00 0.00 C ATOM 889 O TRP A 57 -17.608 12.118 -0.961 1.00 0.00 O ATOM 890 CB TRP A 57 -16.187 9.319 -0.413 1.00 0.00 C ATOM 891 CG TRP A 57 -15.655 9.576 0.985 1.00 0.00 C ATOM 892 CD1 TRP A 57 -14.384 9.370 1.443 1.00 0.00 C ATOM 893 CD2 TRP A 57 -16.394 10.115 2.098 1.00 0.00 C ATOM 894 NE1 TRP A 57 -14.291 9.729 2.763 1.00 0.00 N ATOM 895 CE2 TRP A 57 -15.513 10.181 3.191 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.720 10.536 2.275 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.909 10.665 4.441 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -18.108 11.015 3.510 1.00 0.00 C ATOM 899 CH2 TRP A 57 -17.208 11.076 4.578 1.00 0.00 C ATOM 0 H TRP A 57 -13.914 9.871 -1.322 1.00 0.00 H new ATOM 0 HA TRP A 57 -16.504 10.254 -2.345 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -17.261 9.141 -0.349 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.734 8.404 -0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.570 8.980 0.850 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.448 9.669 3.335 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -18.426 10.486 1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -15.216 10.713 5.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -19.125 11.349 3.654 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -17.544 11.455 5.532 1.00 0.00 H new ATOM 910 N THR A 58 -15.496 12.606 -0.311 1.00 0.00 N ATOM 911 CA THR A 58 -15.779 13.935 0.248 1.00 0.00 C ATOM 912 C THR A 58 -15.818 15.004 -0.847 1.00 0.00 C ATOM 913 O THR A 58 -16.637 15.927 -0.803 1.00 0.00 O ATOM 914 CB THR A 58 -14.687 14.315 1.304 1.00 0.00 C ATOM 915 OG1 THR A 58 -13.377 14.142 0.734 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.797 13.470 2.569 1.00 0.00 C ATOM 0 H THR A 58 -14.517 12.332 -0.227 1.00 0.00 H new ATOM 0 HA THR A 58 -16.758 13.894 0.725 1.00 0.00 H new ATOM 0 HB THR A 58 -14.847 15.358 1.578 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.079 14.986 0.336 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.020 13.767 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.776 13.621 3.023 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.673 12.417 2.315 1.00 0.00 H new ATOM 924 N GLN A 59 -14.932 14.857 -1.835 1.00 0.00 N ATOM 925 CA GLN A 59 -14.676 15.893 -2.852 1.00 0.00 C ATOM 926 C GLN A 59 -15.668 15.820 -4.021 1.00 0.00 C ATOM 927 O GLN A 59 -15.726 16.748 -4.839 1.00 0.00 O ATOM 928 CB GLN A 59 -13.214 15.780 -3.344 1.00 0.00 C ATOM 929 CG GLN A 59 -12.165 15.809 -2.205 1.00 0.00 C ATOM 930 CD GLN A 59 -12.343 17.002 -1.258 1.00 0.00 C ATOM 931 OE1 GLN A 59 -13.051 16.925 -0.262 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.737 18.115 -1.590 1.00 0.00 N ATOM 0 H GLN A 59 -14.368 14.016 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.825 16.869 -2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.101 14.853 -3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.009 16.598 -4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -12.233 14.884 -1.632 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.166 15.843 -2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.153 18.148 -2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.849 18.948 -1.013 1.00 0.00 H new ATOM 941 N VAL A 60 -16.432 14.722 -4.100 1.00 0.00 N ATOM 942 CA VAL A 60 -17.532 14.588 -5.066 1.00 0.00 C ATOM 943 C VAL A 60 -18.773 15.361 -4.574 1.00 0.00 C ATOM 944 O VAL A 60 -18.910 15.655 -3.373 1.00 0.00 O ATOM 945 CB VAL A 60 -17.896 13.076 -5.332 1.00 0.00 C ATOM 946 CG1 VAL A 60 -16.678 12.308 -5.913 1.00 0.00 C ATOM 947 CG2 VAL A 60 -18.451 12.386 -4.055 1.00 0.00 C ATOM 0 H VAL A 60 -16.307 13.906 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.196 15.016 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 60 -18.691 13.052 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -16.953 11.268 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.374 12.766 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -15.850 12.350 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.690 11.346 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.701 12.424 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -19.352 12.903 -3.725 1.00 0.00 H new ATOM 957 N GLN A 61 -19.670 15.678 -5.514 1.00 0.00 N ATOM 958 CA GLN A 61 -20.924 16.422 -5.240 1.00 0.00 C ATOM 959 C GLN A 61 -22.044 15.485 -4.724 1.00 0.00 C ATOM 960 O GLN A 61 -23.116 15.950 -4.336 1.00 0.00 O ATOM 961 CB GLN A 61 -21.402 17.193 -6.514 1.00 0.00 C ATOM 962 CG GLN A 61 -21.957 16.331 -7.679 1.00 0.00 C ATOM 963 CD GLN A 61 -20.917 15.469 -8.394 1.00 0.00 C ATOM 964 OE1 GLN A 61 -19.749 15.843 -8.496 1.00 0.00 O ATOM 965 NE2 GLN A 61 -21.330 14.302 -8.872 1.00 0.00 N ATOM 0 H GLN A 61 -19.554 15.428 -6.496 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.707 17.146 -4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.176 17.900 -6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.564 17.779 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.740 15.681 -7.289 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.425 16.991 -8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.306 14.025 -8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.671 13.682 -9.343 1.00 0.00 H new ATOM 974 N ASP A 62 -21.773 14.163 -4.731 1.00 0.00 N ATOM 975 CA ASP A 62 -22.740 13.121 -4.328 1.00 0.00 C ATOM 976 C ASP A 62 -22.985 13.127 -2.807 1.00 0.00 C ATOM 977 O ASP A 62 -24.067 12.742 -2.345 1.00 0.00 O ATOM 978 CB ASP A 62 -22.227 11.727 -4.781 1.00 0.00 C ATOM 979 CG ASP A 62 -22.023 11.620 -6.301 1.00 0.00 C ATOM 980 OD1 ASP A 62 -20.951 12.025 -6.794 1.00 0.00 O ATOM 981 OD2 ASP A 62 -22.946 11.161 -7.009 1.00 0.00 O ATOM 0 H ASP A 62 -20.870 13.786 -5.019 1.00 0.00 H new ATOM 0 HA ASP A 62 -23.691 13.338 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.283 11.514 -4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -22.938 10.964 -4.462 1.00 0.00 H new ATOM 986 N VAL A 63 -21.975 13.574 -2.041 1.00 0.00 N ATOM 987 CA VAL A 63 -22.063 13.684 -0.574 1.00 0.00 C ATOM 988 C VAL A 63 -22.513 15.115 -0.178 1.00 0.00 C ATOM 989 O VAL A 63 -22.207 16.090 -0.889 1.00 0.00 O ATOM 990 CB VAL A 63 -20.683 13.315 0.095 1.00 0.00 C ATOM 991 CG1 VAL A 63 -19.590 14.339 -0.284 1.00 0.00 C ATOM 992 CG2 VAL A 63 -20.813 13.150 1.631 1.00 0.00 C ATOM 0 H VAL A 63 -21.075 13.869 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.807 12.976 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.375 12.346 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -18.650 14.060 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -19.461 14.349 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.888 15.331 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.841 12.896 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -21.166 14.084 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.524 12.354 1.853 1.00 0.00 H new ATOM 1002 N VAL A 64 -23.246 15.224 0.939 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.745 16.504 1.464 1.00 0.00 C ATOM 1004 C VAL A 64 -22.823 16.952 2.612 1.00 0.00 C ATOM 1005 O VAL A 64 -23.020 16.561 3.766 1.00 0.00 O ATOM 1006 CB VAL A 64 -25.243 16.384 1.966 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.780 17.743 2.503 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -26.167 15.821 0.852 1.00 0.00 C ATOM 0 H VAL A 64 -23.512 14.420 1.508 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.737 17.245 0.665 1.00 0.00 H new ATOM 0 HB VAL A 64 -25.250 15.678 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.810 17.620 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -25.163 18.073 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.743 18.488 1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -27.188 15.751 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -26.143 16.486 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -25.820 14.831 0.557 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.759 17.703 2.275 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.835 18.285 3.263 1.00 0.00 C ATOM 1020 C LEU A 65 -20.802 19.802 3.049 1.00 0.00 C ATOM 1021 O LEU A 65 -21.070 20.275 1.936 1.00 0.00 O ATOM 1022 CB LEU A 65 -19.413 17.673 3.097 1.00 0.00 C ATOM 1023 CG LEU A 65 -19.282 16.120 3.245 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.854 15.642 2.897 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.688 15.655 4.656 1.00 0.00 C ATOM 0 H LEU A 65 -21.516 17.923 1.309 1.00 0.00 H new ATOM 0 HA LEU A 65 -21.174 18.063 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -19.038 17.952 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.756 18.139 3.832 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.971 15.665 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.795 14.559 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.620 15.913 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -17.138 16.116 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.586 14.572 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.042 16.129 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.724 15.935 4.847 1.00 0.00 H new ATOM 1037 N THR A 66 -20.469 20.564 4.101 1.00 0.00 N ATOM 1038 CA THR A 66 -20.359 22.026 4.001 1.00 0.00 C ATOM 1039 C THR A 66 -19.086 22.405 3.216 1.00 0.00 C ATOM 1040 O THR A 66 -18.195 21.555 3.016 1.00 0.00 O ATOM 1041 CB THR A 66 -20.342 22.697 5.416 1.00 0.00 C ATOM 1042 OG1 THR A 66 -19.160 22.306 6.118 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.582 22.315 6.266 1.00 0.00 C ATOM 0 H THR A 66 -20.271 20.192 5.030 1.00 0.00 H new ATOM 0 HA THR A 66 -21.235 22.395 3.468 1.00 0.00 H new ATOM 0 HB THR A 66 -20.361 23.776 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.150 22.728 7.002 1.00 0.00 H new ATOM 0 HG21 THR A 66 -21.522 22.806 7.237 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.488 22.636 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.608 21.234 6.406 1.00 0.00 H new ATOM 1051 N ALA A 67 -19.021 23.671 2.759 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.838 24.202 2.055 1.00 0.00 C ATOM 1053 C ALA A 67 -16.574 24.003 2.915 1.00 0.00 C ATOM 1054 O ALA A 67 -15.562 23.532 2.425 1.00 0.00 O ATOM 1055 CB ALA A 67 -18.035 25.683 1.697 1.00 0.00 C ATOM 0 H ALA A 67 -19.777 24.347 2.866 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.710 23.650 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.150 26.053 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.905 25.788 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -18.189 26.260 2.609 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.700 24.346 4.216 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.664 24.119 5.253 1.00 0.00 C ATOM 1063 C ASP A 68 -15.119 22.671 5.259 1.00 0.00 C ATOM 1064 O ASP A 68 -13.904 22.474 5.248 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.239 24.455 6.645 1.00 0.00 C ATOM 1066 CG ASP A 68 -16.526 25.953 6.817 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -15.612 26.698 7.237 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -17.656 26.396 6.518 1.00 0.00 O ATOM 0 H ASP A 68 -17.538 24.796 4.583 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.828 24.776 5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.159 23.892 6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.535 24.133 7.413 1.00 0.00 H new ATOM 1073 N GLN A 69 -16.036 21.688 5.274 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.678 20.245 5.345 1.00 0.00 C ATOM 1075 C GLN A 69 -14.947 19.799 4.063 1.00 0.00 C ATOM 1076 O GLN A 69 -13.822 19.309 4.124 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.933 19.375 5.611 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.621 19.666 6.961 1.00 0.00 C ATOM 1079 CD GLN A 69 -18.724 18.672 7.310 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -18.636 17.499 6.978 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -19.766 19.132 7.973 1.00 0.00 N ATOM 0 H GLN A 69 -17.041 21.860 5.238 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.996 20.104 6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.651 19.535 4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.648 18.324 5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.871 19.656 7.752 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -18.043 20.671 6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -19.809 20.117 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.529 18.503 8.224 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.576 20.072 2.913 1.00 0.00 N ATOM 1091 CA LYS A 70 -15.036 19.750 1.564 1.00 0.00 C ATOM 1092 C LYS A 70 -13.732 20.526 1.255 1.00 0.00 C ATOM 1093 O LYS A 70 -12.918 20.074 0.445 1.00 0.00 O ATOM 1094 CB LYS A 70 -16.114 19.993 0.476 1.00 0.00 C ATOM 1095 CG LYS A 70 -17.275 18.975 0.526 1.00 0.00 C ATOM 1096 CD LYS A 70 -18.340 19.178 -0.582 1.00 0.00 C ATOM 1097 CE LYS A 70 -19.240 17.936 -0.764 1.00 0.00 C ATOM 1098 NZ LYS A 70 -20.156 18.046 -1.926 1.00 0.00 N ATOM 0 H LYS A 70 -16.487 20.529 2.881 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.775 18.692 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.517 20.999 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.644 19.950 -0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.866 17.968 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.761 19.041 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.960 20.040 -0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.842 19.404 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.611 17.054 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.828 17.785 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.944 17.377 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.530 19.015 -1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.637 17.823 -2.799 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.550 21.679 1.925 1.00 0.00 N ATOM 1113 CA ALA A 71 -12.360 22.530 1.721 1.00 0.00 C ATOM 1114 C ALA A 71 -11.194 21.924 2.514 1.00 0.00 C ATOM 1115 O ALA A 71 -10.168 21.623 1.958 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.606 23.992 2.156 1.00 0.00 C ATOM 0 H ALA A 71 -14.210 22.044 2.612 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.127 22.558 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.703 24.579 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.426 24.412 1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.863 24.018 3.215 1.00 0.00 H new ATOM 1122 N THR A 72 -11.395 21.774 3.830 1.00 0.00 N ATOM 1123 CA THR A 72 -10.412 21.139 4.745 1.00 0.00 C ATOM 1124 C THR A 72 -9.923 19.735 4.252 1.00 0.00 C ATOM 1125 O THR A 72 -8.757 19.383 4.461 1.00 0.00 O ATOM 1126 CB THR A 72 -10.966 21.079 6.198 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.336 22.410 6.598 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.945 20.529 7.209 1.00 0.00 C ATOM 0 H THR A 72 -12.244 22.088 4.300 1.00 0.00 H new ATOM 0 HA THR A 72 -9.527 21.775 4.741 1.00 0.00 H new ATOM 0 HB THR A 72 -11.819 20.400 6.196 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.214 22.632 6.224 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.391 20.512 8.204 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.658 19.517 6.923 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.062 21.168 7.218 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.792 18.967 3.565 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.383 17.702 2.894 1.00 0.00 C ATOM 1138 C TRP A 73 -9.530 17.980 1.631 1.00 0.00 C ATOM 1139 O TRP A 73 -8.623 17.208 1.306 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.620 16.837 2.541 1.00 0.00 C ATOM 1141 CG TRP A 73 -12.173 16.024 3.699 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.252 16.307 4.488 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.683 14.752 4.151 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.443 15.309 5.407 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.498 14.344 5.222 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.635 13.924 3.750 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.299 13.141 5.891 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.435 12.737 4.421 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.265 12.353 5.480 1.00 0.00 C ATOM 0 H TRP A 73 -11.780 19.194 3.456 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.764 17.144 3.596 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.407 17.489 2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.353 16.157 1.732 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.866 17.191 4.400 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.176 15.291 6.117 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.993 14.207 2.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.940 12.842 6.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.622 12.091 4.124 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.083 11.414 5.982 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.839 19.080 0.924 1.00 0.00 N ATOM 1161 CA ALA A 74 -9.043 19.563 -0.231 1.00 0.00 C ATOM 1162 C ALA A 74 -7.686 20.151 0.223 1.00 0.00 C ATOM 1163 O ALA A 74 -6.720 20.149 -0.544 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.829 20.626 -1.021 1.00 0.00 C ATOM 0 H ALA A 74 -10.648 19.665 1.133 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.848 18.705 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.230 20.969 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.759 20.192 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.055 21.470 -0.369 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.645 20.673 1.472 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.428 21.240 2.092 1.00 0.00 C ATOM 1172 C LYS A 75 -5.558 20.091 2.607 1.00 0.00 C ATOM 1173 O LYS A 75 -4.339 20.209 2.633 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.777 22.244 3.251 1.00 0.00 C ATOM 1175 CG LYS A 75 -7.037 23.716 2.818 1.00 0.00 C ATOM 1176 CD LYS A 75 -8.129 23.854 1.739 1.00 0.00 C ATOM 1177 CE LYS A 75 -8.453 25.309 1.371 1.00 0.00 C ATOM 1178 NZ LYS A 75 -9.062 26.043 2.507 1.00 0.00 N ATOM 0 H LYS A 75 -8.463 20.712 2.080 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.881 21.809 1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.662 21.876 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.959 22.236 3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.326 24.298 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.109 24.145 2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.810 23.324 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.038 23.366 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.540 25.816 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.135 25.326 0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.390 26.975 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.869 25.502 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.355 26.167 3.259 1.00 0.00 H new ATOM 1192 N TYR A 76 -6.219 18.984 3.023 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.543 17.727 3.392 1.00 0.00 C ATOM 1194 C TYR A 76 -4.876 17.120 2.157 1.00 0.00 C ATOM 1195 O TYR A 76 -3.706 16.713 2.211 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.539 16.697 4.006 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.904 15.320 4.244 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.835 15.178 5.129 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.344 14.177 3.566 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.243 13.960 5.334 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -5.746 12.949 3.773 1.00 0.00 C ATOM 1202 CZ TYR A 76 -4.696 12.848 4.661 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.105 11.627 4.893 1.00 0.00 O ATOM 0 H TYR A 76 -7.234 18.942 3.110 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.792 17.960 4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.918 17.085 4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.395 16.586 3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.468 16.043 5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.165 14.257 2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.418 13.872 6.026 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.098 12.076 3.244 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.539 10.943 4.342 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.649 17.060 1.054 1.00 0.00 N ATOM 1214 CA ARG A 77 -5.182 16.504 -0.219 1.00 0.00 C ATOM 1215 C ARG A 77 -3.967 17.307 -0.702 1.00 0.00 C ATOM 1216 O ARG A 77 -2.929 16.739 -1.025 1.00 0.00 O ATOM 1217 CB ARG A 77 -6.292 16.545 -1.312 1.00 0.00 C ATOM 1218 CG ARG A 77 -5.860 15.905 -2.670 1.00 0.00 C ATOM 1219 CD ARG A 77 -6.450 16.612 -3.899 1.00 0.00 C ATOM 1220 NE ARG A 77 -7.915 16.533 -3.957 1.00 0.00 N ATOM 1221 CZ ARG A 77 -8.611 15.583 -4.603 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -7.994 14.562 -5.189 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -9.927 15.661 -4.662 1.00 0.00 N ATOM 0 H ARG A 77 -6.612 17.396 1.027 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.913 15.461 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.175 16.025 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.581 17.582 -1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.772 15.921 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.165 14.859 -2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.148 17.659 -3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.032 16.168 -4.802 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.445 17.255 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.977 14.491 -5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.537 13.849 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.412 16.441 -4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.459 14.942 -5.152 1.00 0.00 H new ATOM 1237 N GLN A 78 -4.136 18.643 -0.724 1.00 0.00 N ATOM 1238 CA GLN A 78 -3.097 19.597 -1.144 1.00 0.00 C ATOM 1239 C GLN A 78 -1.835 19.495 -0.274 1.00 0.00 C ATOM 1240 O GLN A 78 -0.723 19.491 -0.803 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.668 21.042 -1.128 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.692 22.124 -1.634 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.164 21.882 -3.060 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -1.019 22.210 -3.366 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.000 21.350 -3.952 1.00 0.00 N ATOM 0 H GLN A 78 -5.008 19.093 -0.447 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.800 19.343 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.569 21.069 -1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.967 21.289 -0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.193 23.092 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.845 22.182 -0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.945 21.087 -3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.695 21.206 -4.915 1.00 0.00 H new ATOM 1254 N ALA A 79 -2.034 19.375 1.045 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.932 19.266 2.021 1.00 0.00 C ATOM 1256 C ALA A 79 -0.071 18.030 1.728 1.00 0.00 C ATOM 1257 O ALA A 79 1.153 18.128 1.598 1.00 0.00 O ATOM 1258 CB ALA A 79 -1.490 19.195 3.452 1.00 0.00 C ATOM 0 H ALA A 79 -2.961 19.350 1.469 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.306 20.154 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.666 19.115 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.064 20.097 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.137 18.323 3.548 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.748 16.884 1.598 1.00 0.00 N ATOM 1265 CA LEU A 80 -0.120 15.572 1.410 1.00 0.00 C ATOM 1266 C LEU A 80 0.605 15.510 0.048 1.00 0.00 C ATOM 1267 O LEU A 80 1.773 15.121 -0.015 1.00 0.00 O ATOM 1268 CB LEU A 80 -1.236 14.492 1.537 1.00 0.00 C ATOM 1269 CG LEU A 80 -0.804 13.017 1.839 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.014 12.191 2.299 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.099 12.332 0.645 1.00 0.00 C ATOM 0 H LEU A 80 -1.767 16.842 1.621 1.00 0.00 H new ATOM 0 HA LEU A 80 0.641 15.390 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.918 14.808 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.805 14.489 0.607 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.069 13.064 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.699 11.168 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.432 12.631 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.771 12.186 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.174 11.313 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.773 12.308 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.800 12.891 0.384 1.00 0.00 H new ATOM 1283 N ARG A 81 -0.100 15.918 -1.027 1.00 0.00 N ATOM 1284 CA ARG A 81 0.421 15.832 -2.413 1.00 0.00 C ATOM 1285 C ARG A 81 1.605 16.796 -2.626 1.00 0.00 C ATOM 1286 O ARG A 81 2.459 16.549 -3.480 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.695 16.092 -3.471 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.185 17.556 -3.579 1.00 0.00 C ATOM 1289 CD ARG A 81 -2.374 17.731 -4.547 1.00 0.00 C ATOM 1290 NE ARG A 81 -2.020 17.392 -5.939 1.00 0.00 N ATOM 1291 CZ ARG A 81 -2.891 17.239 -6.954 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -4.202 17.361 -6.767 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -2.434 16.962 -8.170 1.00 0.00 N ATOM 0 H ARG A 81 -1.038 16.313 -0.964 1.00 0.00 H new ATOM 0 HA ARG A 81 0.779 14.812 -2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.326 15.778 -4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.550 15.458 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.476 17.909 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.359 18.185 -3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.201 17.100 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.725 18.762 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.031 17.263 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.567 17.575 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.842 17.241 -7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.431 16.867 -8.328 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.086 16.844 -8.945 1.00 0.00 H new ATOM 1307 N ASP A 82 1.642 17.883 -1.821 1.00 0.00 N ATOM 1308 CA ASP A 82 2.709 18.908 -1.876 1.00 0.00 C ATOM 1309 C ASP A 82 4.075 18.269 -1.551 1.00 0.00 C ATOM 1310 O ASP A 82 5.093 18.610 -2.161 1.00 0.00 O ATOM 1311 CB ASP A 82 2.402 20.046 -0.867 1.00 0.00 C ATOM 1312 CG ASP A 82 3.252 21.304 -1.093 1.00 0.00 C ATOM 1313 OD1 ASP A 82 4.377 21.399 -0.554 1.00 0.00 O ATOM 1314 OD2 ASP A 82 2.795 22.211 -1.822 1.00 0.00 O ATOM 0 H ASP A 82 0.932 18.074 -1.114 1.00 0.00 H new ATOM 0 HA ASP A 82 2.746 19.326 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.347 20.311 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.570 19.679 0.146 1.00 0.00 H new ATOM 1319 N LEU A 83 4.056 17.325 -0.586 1.00 0.00 N ATOM 1320 CA LEU A 83 5.244 16.555 -0.166 1.00 0.00 C ATOM 1321 C LEU A 83 5.770 15.699 -1.344 1.00 0.00 C ATOM 1322 O LEU A 83 5.008 14.896 -1.882 1.00 0.00 O ATOM 1323 CB LEU A 83 4.888 15.654 1.055 1.00 0.00 C ATOM 1324 CG LEU A 83 6.044 14.781 1.648 1.00 0.00 C ATOM 1325 CD1 LEU A 83 7.255 15.634 2.076 1.00 0.00 C ATOM 1326 CD2 LEU A 83 5.535 13.909 2.814 1.00 0.00 C ATOM 0 H LEU A 83 3.210 17.075 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 83 6.031 17.247 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.504 16.294 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.076 14.989 0.761 1.00 0.00 H new ATOM 0 HG LEU A 83 6.388 14.119 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.032 14.986 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.645 16.171 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.945 16.349 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.358 13.312 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.141 14.550 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.746 13.248 2.456 1.00 0.00 H new ATOM 1338 N PRO A 84 7.058 15.899 -1.797 1.00 0.00 N ATOM 1339 CA PRO A 84 7.683 15.071 -2.868 1.00 0.00 C ATOM 1340 C PRO A 84 7.679 13.559 -2.526 1.00 0.00 C ATOM 1341 O PRO A 84 8.011 13.175 -1.395 1.00 0.00 O ATOM 1342 CB PRO A 84 9.135 15.638 -2.965 1.00 0.00 C ATOM 1343 CG PRO A 84 9.347 16.376 -1.676 1.00 0.00 C ATOM 1344 CD PRO A 84 7.999 16.957 -1.331 1.00 0.00 C ATOM 0 HA PRO A 84 7.137 15.132 -3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.865 14.837 -3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.244 16.302 -3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.700 15.707 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.097 17.159 -1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.900 17.144 -0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.825 17.906 -1.838 1.00 0.00 H new ATOM 1352 N GLU A 85 7.282 12.724 -3.509 1.00 0.00 N ATOM 1353 CA GLU A 85 7.224 11.255 -3.351 1.00 0.00 C ATOM 1354 C GLU A 85 8.635 10.622 -3.463 1.00 0.00 C ATOM 1355 O GLU A 85 9.642 11.333 -3.508 1.00 0.00 O ATOM 1356 CB GLU A 85 6.190 10.629 -4.357 1.00 0.00 C ATOM 1357 CG GLU A 85 6.229 11.151 -5.817 1.00 0.00 C ATOM 1358 CD GLU A 85 7.540 10.875 -6.573 1.00 0.00 C ATOM 1359 OE1 GLU A 85 7.791 9.705 -6.939 1.00 0.00 O ATOM 1360 OE2 GLU A 85 8.320 11.825 -6.813 1.00 0.00 O ATOM 0 H GLU A 85 6.993 13.048 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 85 6.866 11.026 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.347 9.551 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.188 10.798 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.406 10.698 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.053 12.227 -5.807 1.00 0.00 H new ATOM 1367 N THR A 86 8.687 9.284 -3.515 1.00 0.00 N ATOM 1368 CA THR A 86 9.937 8.519 -3.429 1.00 0.00 C ATOM 1369 C THR A 86 10.810 8.671 -4.693 1.00 0.00 C ATOM 1370 O THR A 86 10.342 8.480 -5.815 1.00 0.00 O ATOM 1371 CB THR A 86 9.617 7.012 -3.193 1.00 0.00 C ATOM 1372 OG1 THR A 86 8.618 6.913 -2.177 1.00 0.00 O ATOM 1373 CG2 THR A 86 10.859 6.207 -2.765 1.00 0.00 C ATOM 0 H THR A 86 7.858 8.699 -3.619 1.00 0.00 H new ATOM 0 HA THR A 86 10.505 8.921 -2.590 1.00 0.00 H new ATOM 0 HB THR A 86 9.266 6.590 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.037 7.010 -1.296 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.582 5.164 -2.613 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.620 6.271 -3.543 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.255 6.616 -1.835 1.00 0.00 H new ATOM 1381 N VAL A 87 12.078 9.032 -4.476 1.00 0.00 N ATOM 1382 CA VAL A 87 13.127 9.059 -5.517 1.00 0.00 C ATOM 1383 C VAL A 87 14.157 7.944 -5.212 1.00 0.00 C ATOM 1384 O VAL A 87 13.855 7.040 -4.417 1.00 0.00 O ATOM 1385 CB VAL A 87 13.807 10.476 -5.583 1.00 0.00 C ATOM 1386 CG1 VAL A 87 12.817 11.537 -6.116 1.00 0.00 C ATOM 1387 CG2 VAL A 87 14.379 10.896 -4.210 1.00 0.00 C ATOM 0 H VAL A 87 12.417 9.320 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 87 12.685 8.874 -6.496 1.00 0.00 H new ATOM 0 HB VAL A 87 14.643 10.408 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.310 12.509 -6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.489 11.258 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.953 11.593 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 87 14.841 11.880 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.573 10.935 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 87 15.127 10.170 -3.890 1.00 0.00 H new ATOM 1397 N THR A 88 15.360 7.986 -5.841 1.00 0.00 N ATOM 1398 CA THR A 88 16.449 7.034 -5.523 1.00 0.00 C ATOM 1399 C THR A 88 16.964 7.256 -4.082 1.00 0.00 C ATOM 1400 O THR A 88 17.401 6.310 -3.427 1.00 0.00 O ATOM 1401 CB THR A 88 17.632 7.110 -6.556 1.00 0.00 C ATOM 1402 OG1 THR A 88 18.621 6.101 -6.259 1.00 0.00 O ATOM 1403 CG2 THR A 88 18.306 8.495 -6.592 1.00 0.00 C ATOM 0 H THR A 88 15.596 8.664 -6.565 1.00 0.00 H new ATOM 0 HA THR A 88 16.028 6.031 -5.595 1.00 0.00 H new ATOM 0 HB THR A 88 17.198 6.932 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 88 19.352 6.157 -6.910 1.00 0.00 H new ATOM 0 HG21 THR A 88 19.115 8.487 -7.323 1.00 0.00 H new ATOM 0 HG22 THR A 88 17.571 9.250 -6.872 1.00 0.00 H new ATOM 0 HG23 THR A 88 18.709 8.729 -5.607 1.00 0.00 H new ATOM 1411 N ASP A 89 16.905 8.518 -3.602 1.00 0.00 N ATOM 1412 CA ASP A 89 17.206 8.849 -2.201 1.00 0.00 C ATOM 1413 C ASP A 89 16.062 8.331 -1.317 1.00 0.00 C ATOM 1414 O ASP A 89 14.949 8.881 -1.340 1.00 0.00 O ATOM 1415 CB ASP A 89 17.409 10.376 -2.023 1.00 0.00 C ATOM 1416 CG ASP A 89 17.753 10.792 -0.578 1.00 0.00 C ATOM 1417 OD1 ASP A 89 18.943 10.745 -0.200 1.00 0.00 O ATOM 1418 OD2 ASP A 89 16.837 11.166 0.187 1.00 0.00 O ATOM 0 H ASP A 89 16.650 9.324 -4.172 1.00 0.00 H new ATOM 0 HA ASP A 89 18.138 8.368 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.208 10.707 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 89 16.501 10.893 -2.334 1.00 0.00 H new ATOM 1423 N LEU A 90 16.338 7.238 -0.585 1.00 0.00 N ATOM 1424 CA LEU A 90 15.348 6.570 0.268 1.00 0.00 C ATOM 1425 C LEU A 90 15.063 7.424 1.525 1.00 0.00 C ATOM 1426 O LEU A 90 15.816 7.373 2.507 1.00 0.00 O ATOM 1427 CB LEU A 90 15.847 5.157 0.672 1.00 0.00 C ATOM 1428 CG LEU A 90 14.829 4.287 1.480 1.00 0.00 C ATOM 1429 CD1 LEU A 90 13.601 3.909 0.627 1.00 0.00 C ATOM 1430 CD2 LEU A 90 15.504 3.040 2.093 1.00 0.00 C ATOM 0 H LEU A 90 17.256 6.794 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 90 14.421 6.459 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.122 4.616 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.755 5.268 1.265 1.00 0.00 H new ATOM 0 HG LEU A 90 14.470 4.898 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.916 3.305 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.093 4.816 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.924 3.339 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.765 2.461 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.924 2.425 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.300 3.352 2.769 1.00 0.00 H new ATOM 1442 N SER A 91 14.015 8.249 1.449 1.00 0.00 N ATOM 1443 CA SER A 91 13.537 9.079 2.565 1.00 0.00 C ATOM 1444 C SER A 91 12.241 8.477 3.131 1.00 0.00 C ATOM 1445 O SER A 91 11.432 7.921 2.374 1.00 0.00 O ATOM 1446 CB SER A 91 13.304 10.521 2.060 1.00 0.00 C ATOM 1447 OG SER A 91 12.464 10.539 0.915 1.00 0.00 O ATOM 0 H SER A 91 13.464 8.363 0.598 1.00 0.00 H new ATOM 0 HA SER A 91 14.280 9.105 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.854 11.118 2.853 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.261 10.983 1.818 1.00 0.00 H new ATOM 0 HG SER A 91 12.333 11.464 0.620 1.00 0.00 H new ATOM 1453 N GLN A 92 12.058 8.582 4.461 1.00 0.00 N ATOM 1454 CA GLN A 92 10.839 8.105 5.138 1.00 0.00 C ATOM 1455 C GLN A 92 9.674 9.080 4.861 1.00 0.00 C ATOM 1456 O GLN A 92 9.867 10.304 4.815 1.00 0.00 O ATOM 1457 CB GLN A 92 11.070 7.924 6.668 1.00 0.00 C ATOM 1458 CG GLN A 92 11.485 9.198 7.435 1.00 0.00 C ATOM 1459 CD GLN A 92 11.640 8.952 8.930 1.00 0.00 C ATOM 1460 OE1 GLN A 92 12.716 8.601 9.404 1.00 0.00 O ATOM 1461 NE2 GLN A 92 10.565 9.112 9.680 1.00 0.00 N ATOM 0 H GLN A 92 12.745 8.996 5.091 1.00 0.00 H new ATOM 0 HA GLN A 92 10.581 7.125 4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.153 7.536 7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.840 7.167 6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.426 9.571 7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.738 9.976 7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.685 9.405 9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.614 8.943 10.685 1.00 0.00 H new ATOM 1470 N ILE A 93 8.481 8.516 4.652 1.00 0.00 N ATOM 1471 CA ILE A 93 7.260 9.263 4.312 1.00 0.00 C ATOM 1472 C ILE A 93 6.493 9.663 5.598 1.00 0.00 C ATOM 1473 O ILE A 93 6.004 8.807 6.347 1.00 0.00 O ATOM 1474 CB ILE A 93 6.344 8.409 3.337 1.00 0.00 C ATOM 1475 CG1 ILE A 93 5.996 7.006 3.952 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.029 8.252 1.958 1.00 0.00 C ATOM 1477 CD1 ILE A 93 4.982 6.170 3.193 1.00 0.00 C ATOM 0 H ILE A 93 8.331 7.509 4.715 1.00 0.00 H new ATOM 0 HA ILE A 93 7.542 10.179 3.793 1.00 0.00 H new ATOM 0 HB ILE A 93 5.405 8.946 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 93 6.918 6.431 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 93 5.623 7.160 4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.390 7.664 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.194 9.236 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.986 7.745 2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.825 5.226 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.038 6.711 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.354 5.972 2.188 1.00 0.00 H new ATOM 1489 N VAL A 94 6.456 10.972 5.900 1.00 0.00 N ATOM 1490 CA VAL A 94 5.631 11.525 6.987 1.00 0.00 C ATOM 1491 C VAL A 94 4.773 12.687 6.443 1.00 0.00 C ATOM 1492 O VAL A 94 5.276 13.752 6.092 1.00 0.00 O ATOM 1493 CB VAL A 94 6.497 11.941 8.240 1.00 0.00 C ATOM 1494 CG1 VAL A 94 7.677 12.880 7.868 1.00 0.00 C ATOM 1495 CG2 VAL A 94 5.602 12.544 9.360 1.00 0.00 C ATOM 0 H VAL A 94 6.997 11.676 5.398 1.00 0.00 H new ATOM 0 HA VAL A 94 4.959 10.746 7.348 1.00 0.00 H new ATOM 0 HB VAL A 94 6.952 11.031 8.631 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.238 13.134 8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.335 12.375 7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.288 13.791 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.223 12.822 10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.090 13.428 8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.865 11.805 9.674 1.00 0.00 H new ATOM 1505 N TRP A 95 3.473 12.415 6.336 1.00 0.00 N ATOM 1506 CA TRP A 95 2.454 13.354 5.845 1.00 0.00 C ATOM 1507 C TRP A 95 1.269 13.373 6.837 1.00 0.00 C ATOM 1508 O TRP A 95 1.126 12.417 7.613 1.00 0.00 O ATOM 1509 CB TRP A 95 2.030 12.969 4.391 1.00 0.00 C ATOM 1510 CG TRP A 95 1.934 11.488 4.097 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.225 10.545 4.780 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.558 10.802 3.011 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.401 9.313 4.202 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.204 9.452 3.109 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.390 11.208 1.964 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 2.664 8.507 2.217 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 3.838 10.266 1.069 1.00 0.00 C ATOM 1518 CH2 TRP A 95 3.469 8.927 1.196 1.00 0.00 C ATOM 0 H TRP A 95 3.084 11.509 6.595 1.00 0.00 H new ATOM 0 HA TRP A 95 2.854 14.367 5.792 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.061 13.424 4.184 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.744 13.411 3.697 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.614 10.739 5.649 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.998 8.437 4.535 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.676 12.244 1.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.396 7.466 2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.484 10.566 0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.826 8.208 0.473 1.00 0.00 H new ATOM 1529 N PRO A 96 0.401 14.449 6.839 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.636 14.636 7.893 1.00 0.00 C ATOM 1531 C PRO A 96 -1.702 13.515 7.930 1.00 0.00 C ATOM 1532 O PRO A 96 -1.854 12.733 6.980 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.262 16.017 7.531 1.00 0.00 C ATOM 1534 CG PRO A 96 -1.021 16.158 6.056 1.00 0.00 C ATOM 1535 CD PRO A 96 0.341 15.545 5.825 1.00 0.00 C ATOM 0 HA PRO A 96 -0.205 14.597 8.893 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.326 16.045 7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.792 16.826 8.090 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.789 15.643 5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.041 17.204 5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.442 15.160 4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.140 16.272 5.971 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.381 13.432 9.073 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.569 12.585 9.258 1.00 0.00 C ATOM 1545 C GLN A 97 -4.788 13.350 8.718 1.00 0.00 C ATOM 1546 O GLN A 97 -4.810 14.584 8.777 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.745 12.225 10.760 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.997 11.378 11.100 1.00 0.00 C ATOM 1549 CD GLN A 97 -5.113 11.065 12.593 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -4.618 10.047 13.067 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -5.758 11.944 13.347 1.00 0.00 N ATOM 0 H GLN A 97 -2.122 13.955 9.909 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.459 11.647 8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.860 11.683 11.092 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.786 13.150 11.335 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.890 11.911 10.775 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.962 10.444 10.539 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.159 12.781 12.924 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.853 11.783 14.350 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.776 12.626 8.159 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.994 13.244 7.594 1.00 0.00 C ATOM 1562 C LEU A 98 -7.855 13.888 8.712 1.00 0.00 C ATOM 1563 O LEU A 98 -7.891 13.365 9.829 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.769 12.228 6.684 1.00 0.00 C ATOM 1565 CG LEU A 98 -7.949 10.748 7.174 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.958 10.629 8.324 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.342 9.817 5.999 1.00 0.00 C ATOM 0 H LEU A 98 -5.756 11.609 8.086 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.710 14.064 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.763 12.638 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.260 12.196 5.721 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.983 10.427 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.045 9.585 8.625 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.616 11.224 9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.931 10.994 7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.460 8.798 6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.282 10.157 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.561 9.840 5.239 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.528 15.060 8.426 1.00 0.00 N ATOM 1580 CA PRO A 99 -9.180 15.918 9.463 1.00 0.00 C ATOM 1581 C PRO A 99 -10.174 15.155 10.379 1.00 0.00 C ATOM 1582 O PRO A 99 -10.107 15.262 11.605 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.909 17.019 8.621 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.953 16.481 7.218 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.708 15.651 7.065 1.00 0.00 C ATOM 0 HA PRO A 99 -8.446 16.315 10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.913 17.205 9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.371 17.966 8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.848 15.880 7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.977 17.290 6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.828 14.881 6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.852 16.258 6.772 1.00 0.00 H new ATOM 1593 N VAL A 100 -11.096 14.396 9.761 1.00 0.00 N ATOM 1594 CA VAL A 100 -12.196 13.706 10.476 1.00 0.00 C ATOM 1595 C VAL A 100 -11.678 12.421 11.171 1.00 0.00 C ATOM 1596 O VAL A 100 -11.648 12.371 12.416 1.00 0.00 O ATOM 1597 CB VAL A 100 -13.395 13.381 9.504 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.569 12.697 10.260 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.869 14.662 8.774 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.285 11.471 10.467 1.00 0.00 O ATOM 0 H VAL A 100 -11.104 14.241 8.753 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.570 14.381 11.246 1.00 0.00 H new ATOM 0 HB VAL A 100 -13.037 12.676 8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -15.379 12.487 9.561 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.221 11.764 10.704 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.931 13.360 11.046 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.696 14.416 8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -14.199 15.398 9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -13.045 15.075 8.192 1.00 0.00 H new TER 1610 VAL A 100