USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 809 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 47 CYS SG : rot -34:sc= 0.341 USER MOD Set 2.2: A 51 THR OG1 : rot 20:sc= -0.0965 USER MOD Set 3.1: A 6 SER OG : rot 141:sc= 0.4 USER MOD Set 3.2: A 8 THR OG1 : rot -12:sc= -2.71! USER MOD Set 3.3: A 86 ASN : amide:sc= -7.13! C(o=-9.4!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 28:sc= 0.483 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 23 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 MET CE :methyl -124:sc= -3.1! (180deg=-8.42!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 30:sc= -0.845 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.8) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -146:sc= -1.1 (180deg=-2.68!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 37:sc= 0.0518 USER MOD Single : A 74 THR OG1 : rot -34:sc= 0.0495 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -160:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= -0.0953 (180deg=-0.384) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.636 -16.925 -7.298 1.00 0.00 N ATOM 2 CA GLY A 1 -13.686 -16.111 -7.883 1.00 0.00 C ATOM 3 C GLY A 1 -14.937 -16.078 -7.028 1.00 0.00 C ATOM 4 O GLY A 1 -15.353 -17.101 -6.484 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.802 -16.916 -7.920 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.378 -16.541 -6.367 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.975 -17.902 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.318 -15.095 -8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.935 -16.499 -8.871 1.00 0.00 H new ATOM 8 N SER A 2 -15.539 -14.899 -6.908 1.00 0.00 N ATOM 9 CA SER A 2 -16.747 -14.735 -6.109 1.00 0.00 C ATOM 10 C SER A 2 -17.350 -13.348 -6.313 1.00 0.00 C ATOM 11 O SER A 2 -16.647 -12.399 -6.659 1.00 0.00 O ATOM 12 CB SER A 2 -16.438 -14.956 -4.627 1.00 0.00 C ATOM 13 OG SER A 2 -17.629 -15.105 -3.874 1.00 0.00 O ATOM 0 H SER A 2 -15.209 -14.043 -7.354 1.00 0.00 H new ATOM 0 HA SER A 2 -17.473 -15.479 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.817 -15.844 -4.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.864 -14.113 -4.242 1.00 0.00 H new ATOM 0 HG SER A 2 -17.404 -15.247 -2.931 1.00 0.00 H new ATOM 19 N SER A 3 -18.657 -13.240 -6.096 1.00 0.00 N ATOM 20 CA SER A 3 -19.356 -11.971 -6.259 1.00 0.00 C ATOM 21 C SER A 3 -18.634 -10.853 -5.515 1.00 0.00 C ATOM 22 O SER A 3 -18.393 -10.947 -4.312 1.00 0.00 O ATOM 23 CB SER A 3 -20.795 -12.089 -5.754 1.00 0.00 C ATOM 24 OG SER A 3 -21.589 -11.011 -6.218 1.00 0.00 O ATOM 0 H SER A 3 -19.253 -14.016 -5.807 1.00 0.00 H new ATOM 0 HA SER A 3 -19.370 -11.726 -7.321 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.225 -13.032 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.801 -12.106 -4.664 1.00 0.00 H new ATOM 0 HG SER A 3 -22.504 -11.111 -5.883 1.00 0.00 H new ATOM 30 N GLY A 4 -18.289 -9.793 -6.241 1.00 0.00 N ATOM 31 CA GLY A 4 -17.597 -8.671 -5.634 1.00 0.00 C ATOM 32 C GLY A 4 -18.507 -7.479 -5.415 1.00 0.00 C ATOM 33 O GLY A 4 -18.405 -6.474 -6.118 1.00 0.00 O ATOM 0 H GLY A 4 -18.477 -9.692 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.175 -8.982 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.763 -8.375 -6.270 1.00 0.00 H new ATOM 37 N SER A 5 -19.401 -7.590 -4.437 1.00 0.00 N ATOM 38 CA SER A 5 -20.337 -6.515 -4.131 1.00 0.00 C ATOM 39 C SER A 5 -20.194 -6.068 -2.679 1.00 0.00 C ATOM 40 O SER A 5 -20.768 -6.672 -1.773 1.00 0.00 O ATOM 41 CB SER A 5 -21.773 -6.968 -4.398 1.00 0.00 C ATOM 42 OG SER A 5 -22.661 -5.864 -4.425 1.00 0.00 O ATOM 0 H SER A 5 -19.496 -8.414 -3.843 1.00 0.00 H new ATOM 0 HA SER A 5 -20.105 -5.669 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.819 -7.499 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.085 -7.671 -3.625 1.00 0.00 H new ATOM 0 HG SER A 5 -23.572 -6.181 -4.599 1.00 0.00 H new ATOM 48 N SER A 6 -19.425 -5.005 -2.467 1.00 0.00 N ATOM 49 CA SER A 6 -19.203 -4.478 -1.125 1.00 0.00 C ATOM 50 C SER A 6 -19.932 -3.151 -0.935 1.00 0.00 C ATOM 51 O SER A 6 -20.288 -2.481 -1.904 1.00 0.00 O ATOM 52 CB SER A 6 -17.706 -4.292 -0.869 1.00 0.00 C ATOM 53 OG SER A 6 -17.480 -3.396 0.206 1.00 0.00 O ATOM 0 H SER A 6 -18.945 -4.492 -3.207 1.00 0.00 H new ATOM 0 HA SER A 6 -19.601 -5.197 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.250 -5.256 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.224 -3.913 -1.770 1.00 0.00 H new ATOM 0 HG SER A 6 -16.733 -3.721 0.751 1.00 0.00 H new ATOM 59 N GLY A 7 -20.151 -2.779 0.322 1.00 0.00 N ATOM 60 CA GLY A 7 -20.837 -1.534 0.618 1.00 0.00 C ATOM 61 C GLY A 7 -19.934 -0.522 1.294 1.00 0.00 C ATOM 62 O GLY A 7 -20.350 0.168 2.227 1.00 0.00 O ATOM 0 H GLY A 7 -19.866 -3.317 1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.226 -1.108 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.694 -1.738 1.260 1.00 0.00 H new ATOM 66 N THR A 8 -18.694 -0.431 0.825 1.00 0.00 N ATOM 67 CA THR A 8 -17.729 0.503 1.392 1.00 0.00 C ATOM 68 C THR A 8 -16.877 1.143 0.302 1.00 0.00 C ATOM 69 O THR A 8 -16.561 0.509 -0.705 1.00 0.00 O ATOM 70 CB THR A 8 -16.804 -0.193 2.408 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.499 -1.520 1.964 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.454 -0.250 3.782 1.00 0.00 C ATOM 0 H THR A 8 -18.334 -0.993 0.054 1.00 0.00 H new ATOM 0 HA THR A 8 -18.301 1.277 1.903 1.00 0.00 H new ATOM 0 HB THR A 8 -15.883 0.386 2.483 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.086 -1.758 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.782 -0.746 4.482 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.658 0.763 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.389 -0.808 3.720 1.00 0.00 H new ATOM 80 N SER A 9 -16.507 2.403 0.509 1.00 0.00 N ATOM 81 CA SER A 9 -15.694 3.130 -0.458 1.00 0.00 C ATOM 82 C SER A 9 -14.221 2.756 -0.320 1.00 0.00 C ATOM 83 O SER A 9 -13.738 2.422 0.762 1.00 0.00 O ATOM 84 CB SER A 9 -15.869 4.638 -0.272 1.00 0.00 C ATOM 85 OG SER A 9 -17.211 4.960 0.050 1.00 0.00 O ATOM 0 H SER A 9 -16.758 2.941 1.338 1.00 0.00 H new ATOM 0 HA SER A 9 -16.029 2.854 -1.458 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.207 4.989 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.576 5.157 -1.185 1.00 0.00 H new ATOM 0 HG SER A 9 -17.296 5.929 0.165 1.00 0.00 H new ATOM 91 N PRO A 10 -13.489 2.813 -1.443 1.00 0.00 N ATOM 92 CA PRO A 10 -12.061 2.485 -1.474 1.00 0.00 C ATOM 93 C PRO A 10 -11.212 3.524 -0.750 1.00 0.00 C ATOM 94 O PRO A 10 -11.630 4.662 -0.533 1.00 0.00 O ATOM 95 CB PRO A 10 -11.732 2.473 -2.969 1.00 0.00 C ATOM 96 CG PRO A 10 -12.750 3.368 -3.587 1.00 0.00 C ATOM 97 CD PRO A 10 -14.000 3.204 -2.768 1.00 0.00 C ATOM 0 HA PRO A 10 -11.848 1.543 -0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.721 2.835 -3.155 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.790 1.465 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.413 4.405 -3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.927 3.097 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.574 4.129 -2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.658 2.442 -3.186 1.00 0.00 H new ATOM 105 N PRO A 11 -9.989 3.127 -0.367 1.00 0.00 N ATOM 106 CA PRO A 11 -9.055 4.010 0.338 1.00 0.00 C ATOM 107 C PRO A 11 -8.520 5.122 -0.559 1.00 0.00 C ATOM 108 O PRO A 11 -8.079 4.871 -1.681 1.00 0.00 O ATOM 109 CB PRO A 11 -7.923 3.068 0.755 1.00 0.00 C ATOM 110 CG PRO A 11 -7.974 1.954 -0.232 1.00 0.00 C ATOM 111 CD PRO A 11 -9.424 1.786 -0.592 1.00 0.00 C ATOM 0 HA PRO A 11 -9.531 4.523 1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.958 3.574 0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.066 2.703 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.377 2.186 -1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.569 1.036 0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.547 1.467 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.909 1.036 0.033 1.00 0.00 H new ATOM 119 N THR A 12 -8.561 6.352 -0.057 1.00 0.00 N ATOM 120 CA THR A 12 -8.081 7.502 -0.813 1.00 0.00 C ATOM 121 C THR A 12 -6.864 8.131 -0.143 1.00 0.00 C ATOM 122 O THR A 12 -6.394 7.652 0.890 1.00 0.00 O ATOM 123 CB THR A 12 -9.179 8.572 -0.965 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.532 9.098 0.319 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.413 7.989 -1.636 1.00 0.00 C ATOM 0 H THR A 12 -8.922 6.577 0.870 1.00 0.00 H new ATOM 0 HA THR A 12 -7.801 7.136 -1.801 1.00 0.00 H new ATOM 0 HB THR A 12 -8.789 9.375 -1.591 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.229 9.779 0.213 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.175 8.763 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.147 7.616 -2.625 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.803 7.170 -1.032 1.00 0.00 H new ATOM 133 N LEU A 13 -6.358 9.206 -0.738 1.00 0.00 N ATOM 134 CA LEU A 13 -5.194 9.901 -0.198 1.00 0.00 C ATOM 135 C LEU A 13 -4.007 8.953 -0.063 1.00 0.00 C ATOM 136 O LEU A 13 -3.231 9.044 0.890 1.00 0.00 O ATOM 137 CB LEU A 13 -5.528 10.516 1.162 1.00 0.00 C ATOM 138 CG LEU A 13 -6.215 11.882 1.131 1.00 0.00 C ATOM 139 CD1 LEU A 13 -6.719 12.258 2.516 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.263 12.945 0.601 1.00 0.00 C ATOM 0 H LEU A 13 -6.735 9.615 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.922 10.696 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.169 9.821 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.604 10.609 1.733 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.072 11.822 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.205 13.233 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.435 11.510 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.879 12.301 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.768 13.911 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.387 13.004 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.951 12.683 -0.410 1.00 0.00 H new ATOM 152 N LEU A 14 -3.870 8.044 -1.022 1.00 0.00 N ATOM 153 CA LEU A 14 -2.776 7.080 -1.011 1.00 0.00 C ATOM 154 C LEU A 14 -1.509 7.686 -1.607 1.00 0.00 C ATOM 155 O LEU A 14 -1.424 7.912 -2.815 1.00 0.00 O ATOM 156 CB LEU A 14 -3.169 5.824 -1.791 1.00 0.00 C ATOM 157 CG LEU A 14 -2.108 4.726 -1.876 1.00 0.00 C ATOM 158 CD1 LEU A 14 -1.148 4.999 -3.024 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.351 4.614 -0.560 1.00 0.00 C ATOM 0 H LEU A 14 -4.503 7.955 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.574 6.809 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.064 5.402 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.439 6.120 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.609 3.777 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.400 4.207 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.702 5.029 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.653 5.957 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.600 3.828 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.862 5.563 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.049 4.371 0.241 1.00 0.00 H new ATOM 171 N THR A 15 -0.525 7.947 -0.752 1.00 0.00 N ATOM 172 CA THR A 15 0.737 8.526 -1.193 1.00 0.00 C ATOM 173 C THR A 15 1.910 7.954 -0.404 1.00 0.00 C ATOM 174 O THR A 15 1.748 7.506 0.730 1.00 0.00 O ATOM 175 CB THR A 15 0.733 10.060 -1.046 1.00 0.00 C ATOM 176 OG1 THR A 15 -0.204 10.637 -1.961 1.00 0.00 O ATOM 177 CG2 THR A 15 2.119 10.631 -1.304 1.00 0.00 C ATOM 0 H THR A 15 -0.578 7.766 0.250 1.00 0.00 H new ATOM 0 HA THR A 15 0.852 8.270 -2.246 1.00 0.00 H new ATOM 0 HB THR A 15 0.440 10.305 -0.025 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.202 11.612 -1.860 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.092 11.715 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.825 10.211 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.435 10.376 -2.316 1.00 0.00 H new ATOM 185 N VAL A 16 3.092 7.974 -1.013 1.00 0.00 N ATOM 186 CA VAL A 16 4.293 7.459 -0.366 1.00 0.00 C ATOM 187 C VAL A 16 4.817 8.437 0.679 1.00 0.00 C ATOM 188 O VAL A 16 5.417 9.459 0.343 1.00 0.00 O ATOM 189 CB VAL A 16 5.406 7.177 -1.393 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.528 6.371 -0.756 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.840 6.453 -2.606 1.00 0.00 C ATOM 0 H VAL A 16 3.243 8.341 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 16 4.014 6.525 0.123 1.00 0.00 H new ATOM 0 HB VAL A 16 5.819 8.129 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.305 6.181 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.950 6.931 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.133 5.422 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.640 6.262 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.400 5.507 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.074 7.072 -3.074 1.00 0.00 H new ATOM 201 N ASP A 17 4.587 8.118 1.948 1.00 0.00 N ATOM 202 CA ASP A 17 5.038 8.968 3.044 1.00 0.00 C ATOM 203 C ASP A 17 6.530 9.262 2.926 1.00 0.00 C ATOM 204 O ASP A 17 6.937 10.416 2.798 1.00 0.00 O ATOM 205 CB ASP A 17 4.741 8.303 4.389 1.00 0.00 C ATOM 206 CG ASP A 17 4.879 9.264 5.553 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.989 9.801 5.751 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.877 9.480 6.266 1.00 0.00 O ATOM 0 H ASP A 17 4.091 7.277 2.243 1.00 0.00 H new ATOM 0 HA ASP A 17 4.495 9.911 2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.730 7.897 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.420 7.462 4.533 1.00 0.00 H new ATOM 213 N SER A 18 7.340 8.209 2.970 1.00 0.00 N ATOM 214 CA SER A 18 8.788 8.354 2.873 1.00 0.00 C ATOM 215 C SER A 18 9.430 7.067 2.363 1.00 0.00 C ATOM 216 O SER A 18 8.921 5.971 2.596 1.00 0.00 O ATOM 217 CB SER A 18 9.377 8.726 4.236 1.00 0.00 C ATOM 218 OG SER A 18 9.340 10.127 4.442 1.00 0.00 O ATOM 0 H SER A 18 7.018 7.246 3.072 1.00 0.00 H new ATOM 0 HA SER A 18 9.002 9.152 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.819 8.224 5.026 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.406 8.373 4.300 1.00 0.00 H new ATOM 0 HG SER A 18 8.593 10.512 3.938 1.00 0.00 H new ATOM 224 N VAL A 19 10.552 7.210 1.665 1.00 0.00 N ATOM 225 CA VAL A 19 11.266 6.060 1.122 1.00 0.00 C ATOM 226 C VAL A 19 12.743 6.103 1.497 1.00 0.00 C ATOM 227 O VAL A 19 13.331 7.177 1.630 1.00 0.00 O ATOM 228 CB VAL A 19 11.139 5.994 -0.411 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.094 4.957 -0.982 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.704 5.687 -0.814 1.00 0.00 C ATOM 0 H VAL A 19 10.986 8.110 1.462 1.00 0.00 H new ATOM 0 HA VAL A 19 10.810 5.170 1.556 1.00 0.00 H new ATOM 0 HB VAL A 19 11.408 6.967 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.990 4.925 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.119 5.225 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.859 3.978 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.633 5.644 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.405 4.727 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.045 6.470 -0.438 1.00 0.00 H new ATOM 240 N THR A 20 13.339 4.927 1.667 1.00 0.00 N ATOM 241 CA THR A 20 14.748 4.829 2.028 1.00 0.00 C ATOM 242 C THR A 20 15.387 3.588 1.416 1.00 0.00 C ATOM 243 O THR A 20 14.730 2.562 1.239 1.00 0.00 O ATOM 244 CB THR A 20 14.935 4.788 3.556 1.00 0.00 C ATOM 245 OG1 THR A 20 14.194 5.849 4.169 1.00 0.00 O ATOM 246 CG2 THR A 20 16.406 4.912 3.925 1.00 0.00 C ATOM 0 H THR A 20 12.868 4.029 1.560 1.00 0.00 H new ATOM 0 HA THR A 20 15.238 5.719 1.633 1.00 0.00 H new ATOM 0 HB THR A 20 14.565 3.829 3.919 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.317 5.815 5.141 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.513 4.881 5.009 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.963 4.087 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.797 5.858 3.549 1.00 0.00 H new ATOM 254 N ASP A 21 16.672 3.688 1.095 1.00 0.00 N ATOM 255 CA ASP A 21 17.402 2.571 0.504 1.00 0.00 C ATOM 256 C ASP A 21 17.075 1.267 1.224 1.00 0.00 C ATOM 257 O ASP A 21 17.236 0.180 0.667 1.00 0.00 O ATOM 258 CB ASP A 21 18.908 2.834 0.555 1.00 0.00 C ATOM 259 CG ASP A 21 19.343 3.900 -0.432 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.655 4.073 -1.459 1.00 0.00 O ATOM 261 OD2 ASP A 21 20.373 4.559 -0.177 1.00 0.00 O ATOM 0 H ASP A 21 17.230 4.530 1.234 1.00 0.00 H new ATOM 0 HA ASP A 21 17.093 2.477 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.186 3.141 1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.443 1.908 0.345 1.00 0.00 H new ATOM 266 N THR A 22 16.618 1.381 2.467 1.00 0.00 N ATOM 267 CA THR A 22 16.271 0.212 3.265 1.00 0.00 C ATOM 268 C THR A 22 14.878 -0.299 2.915 1.00 0.00 C ATOM 269 O THR A 22 14.727 -1.369 2.325 1.00 0.00 O ATOM 270 CB THR A 22 16.328 0.523 4.772 1.00 0.00 C ATOM 271 OG1 THR A 22 15.592 1.719 5.054 1.00 0.00 O ATOM 272 CG2 THR A 22 17.768 0.686 5.237 1.00 0.00 C ATOM 0 H THR A 22 16.480 2.272 2.943 1.00 0.00 H new ATOM 0 HA THR A 22 17.006 -0.558 3.033 1.00 0.00 H new ATOM 0 HB THR A 22 15.881 -0.313 5.310 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.632 1.909 6.015 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.783 0.905 6.305 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.318 -0.236 5.048 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.236 1.506 4.692 1.00 0.00 H new ATOM 280 N THR A 23 13.860 0.473 3.283 1.00 0.00 N ATOM 281 CA THR A 23 12.479 0.098 3.008 1.00 0.00 C ATOM 282 C THR A 23 11.648 1.313 2.613 1.00 0.00 C ATOM 283 O THR A 23 12.092 2.453 2.750 1.00 0.00 O ATOM 284 CB THR A 23 11.828 -0.579 4.229 1.00 0.00 C ATOM 285 OG1 THR A 23 11.839 0.313 5.349 1.00 0.00 O ATOM 286 CG2 THR A 23 12.560 -1.863 4.589 1.00 0.00 C ATOM 0 H THR A 23 13.966 1.362 3.772 1.00 0.00 H new ATOM 0 HA THR A 23 12.502 -0.609 2.178 1.00 0.00 H new ATOM 0 HB THR A 23 10.798 -0.826 3.973 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.571 -0.173 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.083 -2.324 5.454 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.523 -2.552 3.745 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.599 -1.635 4.827 1.00 0.00 H new ATOM 294 N VAL A 24 10.438 1.063 2.121 1.00 0.00 N ATOM 295 CA VAL A 24 9.544 2.137 1.707 1.00 0.00 C ATOM 296 C VAL A 24 8.415 2.331 2.713 1.00 0.00 C ATOM 297 O VAL A 24 8.037 1.401 3.426 1.00 0.00 O ATOM 298 CB VAL A 24 8.937 1.859 0.319 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.030 1.778 -0.736 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.114 0.579 0.344 1.00 0.00 C ATOM 0 H VAL A 24 10.055 0.125 2.000 1.00 0.00 H new ATOM 0 HA VAL A 24 10.144 3.046 1.658 1.00 0.00 H new ATOM 0 HB VAL A 24 8.275 2.685 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.582 1.581 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.573 2.723 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.720 0.972 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.693 0.398 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.752 -0.259 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.307 0.680 1.070 1.00 0.00 H new ATOM 310 N THR A 25 7.879 3.547 2.766 1.00 0.00 N ATOM 311 CA THR A 25 6.794 3.864 3.685 1.00 0.00 C ATOM 312 C THR A 25 5.635 4.535 2.957 1.00 0.00 C ATOM 313 O THR A 25 5.821 5.533 2.262 1.00 0.00 O ATOM 314 CB THR A 25 7.273 4.785 4.823 1.00 0.00 C ATOM 315 OG1 THR A 25 8.427 4.223 5.456 1.00 0.00 O ATOM 316 CG2 THR A 25 6.172 4.990 5.853 1.00 0.00 C ATOM 0 H THR A 25 8.179 4.328 2.183 1.00 0.00 H new ATOM 0 HA THR A 25 6.454 2.920 4.110 1.00 0.00 H new ATOM 0 HB THR A 25 7.531 5.753 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.726 4.816 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.534 5.644 6.647 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.306 5.446 5.374 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.887 4.027 6.277 1.00 0.00 H new ATOM 324 N MET A 26 4.438 3.980 3.121 1.00 0.00 N ATOM 325 CA MET A 26 3.248 4.527 2.480 1.00 0.00 C ATOM 326 C MET A 26 2.228 4.978 3.521 1.00 0.00 C ATOM 327 O MET A 26 2.309 4.596 4.689 1.00 0.00 O ATOM 328 CB MET A 26 2.620 3.487 1.551 1.00 0.00 C ATOM 329 CG MET A 26 3.636 2.731 0.710 1.00 0.00 C ATOM 330 SD MET A 26 4.107 3.627 -0.782 1.00 0.00 S ATOM 331 CE MET A 26 2.532 3.723 -1.631 1.00 0.00 C ATOM 0 H MET A 26 4.267 3.152 3.692 1.00 0.00 H new ATOM 0 HA MET A 26 3.548 5.394 1.892 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.052 2.774 2.149 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.911 3.984 0.889 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.526 2.538 1.309 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.222 1.762 0.432 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.628 3.289 -2.626 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.780 3.172 -1.066 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.229 4.766 -1.718 1.00 0.00 H new ATOM 341 N ARG A 27 1.271 5.793 3.091 1.00 0.00 N ATOM 342 CA ARG A 27 0.237 6.297 3.986 1.00 0.00 C ATOM 343 C ARG A 27 -1.087 6.469 3.246 1.00 0.00 C ATOM 344 O ARG A 27 -1.107 6.710 2.040 1.00 0.00 O ATOM 345 CB ARG A 27 0.668 7.630 4.599 1.00 0.00 C ATOM 346 CG ARG A 27 0.932 8.717 3.570 1.00 0.00 C ATOM 347 CD ARG A 27 0.801 10.104 4.177 1.00 0.00 C ATOM 348 NE ARG A 27 -0.593 10.527 4.281 1.00 0.00 N ATOM 349 CZ ARG A 27 -0.968 11.729 4.704 1.00 0.00 C ATOM 350 NH1 ARG A 27 -0.056 12.623 5.062 1.00 0.00 N ATOM 351 NH2 ARG A 27 -2.256 12.039 4.770 1.00 0.00 N ATOM 0 H ARG A 27 1.190 6.119 2.128 1.00 0.00 H new ATOM 0 HA ARG A 27 0.095 5.567 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.107 7.972 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.571 7.474 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.933 8.593 3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.231 8.614 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.257 10.111 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.352 10.820 3.568 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.319 9.862 4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.935 12.388 5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.346 13.545 5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.960 11.354 4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.542 12.962 5.095 1.00 0.00 H new ATOM 365 N TRP A 28 -2.188 6.343 3.978 1.00 0.00 N ATOM 366 CA TRP A 28 -3.516 6.484 3.391 1.00 0.00 C ATOM 367 C TRP A 28 -4.558 6.773 4.465 1.00 0.00 C ATOM 368 O TRP A 28 -4.245 6.800 5.655 1.00 0.00 O ATOM 369 CB TRP A 28 -3.894 5.217 2.623 1.00 0.00 C ATOM 370 CG TRP A 28 -4.081 4.021 3.507 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.197 3.700 4.226 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.123 2.988 3.766 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.990 2.530 4.917 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.727 2.073 4.651 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.816 2.747 3.335 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.066 0.938 5.112 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.161 1.620 3.794 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.787 0.726 4.674 1.00 0.00 C ATOM 0 H TRP A 28 -2.188 6.144 4.978 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.492 7.326 2.699 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.815 5.398 2.069 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.118 5.000 1.889 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.108 4.280 4.248 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.668 2.076 5.529 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.327 3.429 2.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.546 0.249 5.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.150 1.425 3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.249 -0.147 5.013 1.00 0.00 H new ATOM 389 N ARG A 29 -5.798 6.988 4.038 1.00 0.00 N ATOM 390 CA ARG A 29 -6.886 7.276 4.964 1.00 0.00 C ATOM 391 C ARG A 29 -8.102 6.405 4.662 1.00 0.00 C ATOM 392 O ARG A 29 -8.270 5.892 3.556 1.00 0.00 O ATOM 393 CB ARG A 29 -7.273 8.754 4.887 1.00 0.00 C ATOM 394 CG ARG A 29 -6.391 9.659 5.731 1.00 0.00 C ATOM 395 CD ARG A 29 -7.137 10.908 6.174 1.00 0.00 C ATOM 396 NE ARG A 29 -6.239 12.043 6.369 1.00 0.00 N ATOM 397 CZ ARG A 29 -6.657 13.275 6.635 1.00 0.00 C ATOM 398 NH1 ARG A 29 -7.954 13.530 6.738 1.00 0.00 N ATOM 399 NH2 ARG A 29 -5.778 14.255 6.799 1.00 0.00 N ATOM 0 H ARG A 29 -6.074 6.968 3.056 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.540 7.050 5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.225 9.080 3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.308 8.867 5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.041 9.113 6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.508 9.945 5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.889 11.165 5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.668 10.702 7.103 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.235 11.880 6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.633 12.779 6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.273 14.477 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.779 14.063 6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.101 15.201 7.003 1.00 0.00 H new ATOM 413 N PRO A 30 -8.971 6.231 5.669 1.00 0.00 N ATOM 414 CA PRO A 30 -10.186 5.422 5.536 1.00 0.00 C ATOM 415 C PRO A 30 -11.220 6.075 4.626 1.00 0.00 C ATOM 416 O PRO A 30 -11.095 7.237 4.236 1.00 0.00 O ATOM 417 CB PRO A 30 -10.714 5.337 6.970 1.00 0.00 C ATOM 418 CG PRO A 30 -10.174 6.549 7.646 1.00 0.00 C ATOM 419 CD PRO A 30 -8.834 6.813 7.015 1.00 0.00 C ATOM 0 HA PRO A 30 -9.982 4.451 5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.804 5.325 6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.376 4.425 7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.842 7.400 7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.075 6.386 8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.613 7.880 6.971 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.026 6.343 7.576 1.00 0.00 H new ATOM 427 N PRO A 31 -12.268 5.314 4.277 1.00 0.00 N ATOM 428 CA PRO A 31 -13.345 5.799 3.409 1.00 0.00 C ATOM 429 C PRO A 31 -14.212 6.851 4.093 1.00 0.00 C ATOM 430 O PRO A 31 -14.504 6.749 5.285 1.00 0.00 O ATOM 431 CB PRO A 31 -14.163 4.538 3.120 1.00 0.00 C ATOM 432 CG PRO A 31 -13.897 3.640 4.279 1.00 0.00 C ATOM 433 CD PRO A 31 -12.482 3.921 4.705 1.00 0.00 C ATOM 0 HA PRO A 31 -12.958 6.287 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.225 4.767 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.858 4.075 2.182 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.596 3.836 5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -14.020 2.594 3.998 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.356 3.807 5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.776 3.241 4.228 1.00 0.00 H new ATOM 441 N ASP A 32 -14.621 7.860 3.332 1.00 0.00 N ATOM 442 CA ASP A 32 -15.456 8.930 3.865 1.00 0.00 C ATOM 443 C ASP A 32 -16.433 8.390 4.905 1.00 0.00 C ATOM 444 O ASP A 32 -16.519 8.907 6.019 1.00 0.00 O ATOM 445 CB ASP A 32 -16.223 9.618 2.735 1.00 0.00 C ATOM 446 CG ASP A 32 -15.340 9.935 1.545 1.00 0.00 C ATOM 447 OD1 ASP A 32 -14.461 10.812 1.675 1.00 0.00 O ATOM 448 OD2 ASP A 32 -15.527 9.306 0.482 1.00 0.00 O ATOM 0 H ASP A 32 -14.388 7.959 2.344 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.805 9.659 4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.044 8.977 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.667 10.540 3.110 1.00 0.00 H new ATOM 453 N HIS A 33 -17.169 7.347 4.533 1.00 0.00 N ATOM 454 CA HIS A 33 -18.141 6.738 5.433 1.00 0.00 C ATOM 455 C HIS A 33 -17.976 5.221 5.464 1.00 0.00 C ATOM 456 O HIS A 33 -17.400 4.631 4.550 1.00 0.00 O ATOM 457 CB HIS A 33 -19.563 7.099 5.003 1.00 0.00 C ATOM 458 CG HIS A 33 -19.974 8.485 5.394 1.00 0.00 C ATOM 459 ND1 HIS A 33 -19.819 9.577 4.566 1.00 0.00 N ATOM 460 CD2 HIS A 33 -20.537 8.954 6.531 1.00 0.00 C ATOM 461 CE1 HIS A 33 -20.268 10.658 5.178 1.00 0.00 C ATOM 462 NE2 HIS A 33 -20.710 10.307 6.373 1.00 0.00 N ATOM 0 H HIS A 33 -17.110 6.907 3.615 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.964 7.126 6.436 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.643 6.997 3.921 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -20.259 6.385 5.443 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -20.801 8.372 7.402 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -20.273 11.658 4.771 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -21.114 10.938 7.065 1.00 0.00 H new ATOM 471 N ILE A 34 -18.484 4.597 6.522 1.00 0.00 N ATOM 472 CA ILE A 34 -18.393 3.150 6.671 1.00 0.00 C ATOM 473 C ILE A 34 -19.763 2.496 6.533 1.00 0.00 C ATOM 474 O ILE A 34 -20.606 2.601 7.423 1.00 0.00 O ATOM 475 CB ILE A 34 -17.786 2.762 8.032 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.543 3.606 8.320 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.444 1.280 8.056 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.270 3.021 7.750 1.00 0.00 C ATOM 0 H ILE A 34 -18.963 5.071 7.288 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.740 2.791 5.875 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.523 2.957 8.811 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.689 4.605 7.910 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.431 3.717 9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.016 1.021 9.024 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.349 0.695 7.891 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.722 1.060 7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.430 3.672 7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.100 2.033 8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.362 2.936 6.667 1.00 0.00 H new ATOM 490 N GLY A 35 -19.979 1.818 5.409 1.00 0.00 N ATOM 491 CA GLY A 35 -21.248 1.154 5.175 1.00 0.00 C ATOM 492 C GLY A 35 -21.704 0.338 6.368 1.00 0.00 C ATOM 493 O GLY A 35 -20.971 0.192 7.346 1.00 0.00 O ATOM 0 H GLY A 35 -19.298 1.717 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -22.007 1.900 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.159 0.502 4.306 1.00 0.00 H new ATOM 497 N ALA A 36 -22.919 -0.195 6.289 1.00 0.00 N ATOM 498 CA ALA A 36 -23.472 -1.001 7.371 1.00 0.00 C ATOM 499 C ALA A 36 -22.659 -2.275 7.576 1.00 0.00 C ATOM 500 O ALA A 36 -22.473 -2.729 8.705 1.00 0.00 O ATOM 501 CB ALA A 36 -24.927 -1.342 7.085 1.00 0.00 C ATOM 0 H ALA A 36 -23.539 -0.083 5.487 1.00 0.00 H new ATOM 0 HA ALA A 36 -23.421 -0.416 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -25.327 -1.944 7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -25.505 -0.422 6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -24.993 -1.904 6.154 1.00 0.00 H new ATOM 507 N ALA A 37 -22.177 -2.848 6.478 1.00 0.00 N ATOM 508 CA ALA A 37 -21.382 -4.068 6.539 1.00 0.00 C ATOM 509 C ALA A 37 -20.201 -3.908 7.489 1.00 0.00 C ATOM 510 O ALA A 37 -19.775 -4.866 8.133 1.00 0.00 O ATOM 511 CB ALA A 37 -20.896 -4.451 5.149 1.00 0.00 C ATOM 0 H ALA A 37 -22.323 -2.487 5.535 1.00 0.00 H new ATOM 0 HA ALA A 37 -22.017 -4.866 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -20.304 -5.364 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -21.753 -4.617 4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -20.282 -3.646 4.744 1.00 0.00 H new ATOM 517 N GLY A 38 -19.675 -2.690 7.573 1.00 0.00 N ATOM 518 CA GLY A 38 -18.547 -2.427 8.447 1.00 0.00 C ATOM 519 C GLY A 38 -17.223 -2.809 7.816 1.00 0.00 C ATOM 520 O GLY A 38 -16.992 -3.977 7.499 1.00 0.00 O ATOM 0 H GLY A 38 -20.010 -1.880 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.531 -1.368 8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.676 -2.980 9.377 1.00 0.00 H new ATOM 524 N LEU A 39 -16.352 -1.824 7.631 1.00 0.00 N ATOM 525 CA LEU A 39 -15.043 -2.062 7.031 1.00 0.00 C ATOM 526 C LEU A 39 -14.096 -2.714 8.033 1.00 0.00 C ATOM 527 O LEU A 39 -14.082 -2.359 9.211 1.00 0.00 O ATOM 528 CB LEU A 39 -14.445 -0.748 6.526 1.00 0.00 C ATOM 529 CG LEU A 39 -12.919 -0.654 6.547 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.418 0.166 5.367 1.00 0.00 C ATOM 531 CD2 LEU A 39 -12.439 -0.051 7.859 1.00 0.00 C ATOM 0 H LEU A 39 -16.528 -0.853 7.888 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.174 -2.741 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.785 -0.587 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.848 0.067 7.128 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.512 -1.661 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.330 0.222 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.730 -0.308 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.835 1.172 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.351 0.008 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.856 0.949 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.766 -0.678 8.689 1.00 0.00 H new ATOM 543 N ASP A 40 -13.303 -3.667 7.555 1.00 0.00 N ATOM 544 CA ASP A 40 -12.350 -4.367 8.409 1.00 0.00 C ATOM 545 C ASP A 40 -10.921 -4.149 7.919 1.00 0.00 C ATOM 546 O ASP A 40 -10.436 -4.870 7.048 1.00 0.00 O ATOM 547 CB ASP A 40 -12.667 -5.863 8.445 1.00 0.00 C ATOM 548 CG ASP A 40 -14.077 -6.144 8.925 1.00 0.00 C ATOM 549 OD1 ASP A 40 -15.020 -5.981 8.122 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.239 -6.525 10.103 1.00 0.00 O ATOM 0 H ASP A 40 -13.301 -3.972 6.582 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.436 -3.961 9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.535 -6.284 7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.956 -6.367 9.100 1.00 0.00 H new ATOM 555 N GLY A 41 -10.253 -3.149 8.485 1.00 0.00 N ATOM 556 CA GLY A 41 -8.887 -2.853 8.092 1.00 0.00 C ATOM 557 C GLY A 41 -8.711 -2.817 6.587 1.00 0.00 C ATOM 558 O GLY A 41 -9.671 -2.593 5.848 1.00 0.00 O ATOM 0 H GLY A 41 -10.633 -2.538 9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.592 -1.892 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.220 -3.604 8.515 1.00 0.00 H new ATOM 562 N TYR A 42 -7.483 -3.037 6.131 1.00 0.00 N ATOM 563 CA TYR A 42 -7.184 -3.025 4.704 1.00 0.00 C ATOM 564 C TYR A 42 -6.087 -4.030 4.369 1.00 0.00 C ATOM 565 O TYR A 42 -5.539 -4.688 5.254 1.00 0.00 O ATOM 566 CB TYR A 42 -6.759 -1.623 4.263 1.00 0.00 C ATOM 567 CG TYR A 42 -7.399 -0.515 5.069 1.00 0.00 C ATOM 568 CD1 TYR A 42 -7.021 -0.280 6.385 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.381 0.296 4.514 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.603 0.731 7.125 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.967 1.310 5.246 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.575 1.524 6.551 1.00 0.00 C ATOM 573 OH TYR A 42 -9.157 2.532 7.284 1.00 0.00 O ATOM 0 H TYR A 42 -6.678 -3.226 6.729 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.088 -3.310 4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.675 -1.539 4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.013 -1.489 3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.259 -0.898 6.837 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.691 0.131 3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.299 0.900 8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.728 1.932 4.799 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.515 2.871 7.942 1.00 0.00 H new ATOM 583 N VAL A 43 -5.770 -4.144 3.083 1.00 0.00 N ATOM 584 CA VAL A 43 -4.737 -5.067 2.629 1.00 0.00 C ATOM 585 C VAL A 43 -3.796 -4.394 1.636 1.00 0.00 C ATOM 586 O VAL A 43 -4.239 -3.744 0.688 1.00 0.00 O ATOM 587 CB VAL A 43 -5.351 -6.317 1.971 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.310 -7.049 1.139 1.00 0.00 C ATOM 589 CG2 VAL A 43 -5.945 -7.237 3.028 1.00 0.00 C ATOM 0 H VAL A 43 -6.214 -3.608 2.337 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.173 -5.370 3.511 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.154 -5.999 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.763 -7.929 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.937 -6.386 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.483 -7.357 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.375 -8.115 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.163 -7.549 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.724 -6.707 3.576 1.00 0.00 H new ATOM 599 N LEU A 44 -2.497 -4.554 1.859 1.00 0.00 N ATOM 600 CA LEU A 44 -1.491 -3.962 0.982 1.00 0.00 C ATOM 601 C LEU A 44 -0.612 -5.040 0.356 1.00 0.00 C ATOM 602 O LEU A 44 -0.206 -5.989 1.026 1.00 0.00 O ATOM 603 CB LEU A 44 -0.626 -2.972 1.763 1.00 0.00 C ATOM 604 CG LEU A 44 0.223 -2.016 0.924 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.464 -0.716 1.675 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.545 -2.669 0.547 1.00 0.00 C ATOM 0 H LEU A 44 -2.114 -5.088 2.639 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.008 -3.432 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.277 -2.379 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.038 -3.537 2.417 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.321 -1.786 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.070 -0.049 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.492 -0.240 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.987 -0.926 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.137 -1.975 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.094 -2.928 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.353 -3.572 -0.032 1.00 0.00 H new ATOM 618 N GLU A 45 -0.321 -4.885 -0.931 1.00 0.00 N ATOM 619 CA GLU A 45 0.512 -5.845 -1.647 1.00 0.00 C ATOM 620 C GLU A 45 1.436 -5.135 -2.632 1.00 0.00 C ATOM 621 O GLU A 45 1.081 -4.102 -3.200 1.00 0.00 O ATOM 622 CB GLU A 45 -0.362 -6.858 -2.389 1.00 0.00 C ATOM 623 CG GLU A 45 -1.400 -7.530 -1.506 1.00 0.00 C ATOM 624 CD GLU A 45 -2.561 -8.098 -2.298 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.315 -8.688 -3.371 1.00 0.00 O ATOM 626 OE2 GLU A 45 -3.716 -7.951 -1.847 1.00 0.00 O ATOM 0 H GLU A 45 -0.649 -4.104 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 45 1.125 -6.372 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.869 -6.354 -3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.278 -7.623 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.925 -8.331 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.778 -6.808 -0.782 1.00 0.00 H new ATOM 633 N TYR A 46 2.624 -5.697 -2.829 1.00 0.00 N ATOM 634 CA TYR A 46 3.601 -5.117 -3.743 1.00 0.00 C ATOM 635 C TYR A 46 4.118 -6.165 -4.723 1.00 0.00 C ATOM 636 O TYR A 46 4.379 -7.309 -4.347 1.00 0.00 O ATOM 637 CB TYR A 46 4.768 -4.515 -2.959 1.00 0.00 C ATOM 638 CG TYR A 46 5.674 -5.551 -2.331 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.255 -6.299 -1.239 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.950 -5.781 -2.832 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.079 -7.245 -0.662 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.781 -6.727 -2.263 1.00 0.00 C ATOM 643 CZ TYR A 46 7.341 -7.455 -1.177 1.00 0.00 C ATOM 644 OH TYR A 46 8.165 -8.398 -0.606 1.00 0.00 O ATOM 0 H TYR A 46 2.933 -6.553 -2.368 1.00 0.00 H new ATOM 0 HA TYR A 46 3.108 -4.328 -4.310 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.357 -3.886 -3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.373 -3.867 -2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.267 -6.138 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.298 -5.211 -3.681 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.737 -7.817 0.188 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.769 -6.895 -2.666 1.00 0.00 H new ATOM 0 HH TYR A 46 9.018 -8.422 -1.088 1.00 0.00 H new ATOM 654 N CYS A 47 4.265 -5.767 -5.982 1.00 0.00 N ATOM 655 CA CYS A 47 4.752 -6.670 -7.018 1.00 0.00 C ATOM 656 C CYS A 47 6.159 -6.283 -7.461 1.00 0.00 C ATOM 657 O CYS A 47 6.375 -5.196 -7.998 1.00 0.00 O ATOM 658 CB CYS A 47 3.805 -6.659 -8.219 1.00 0.00 C ATOM 659 SG CYS A 47 4.464 -7.486 -9.686 1.00 0.00 S ATOM 0 H CYS A 47 4.054 -4.824 -6.310 1.00 0.00 H new ATOM 0 HA CYS A 47 4.787 -7.676 -6.601 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.869 -7.139 -7.934 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.569 -5.626 -8.473 1.00 0.00 H new ATOM 0 HG CYS A 47 5.752 -7.316 -9.739 1.00 0.00 H new ATOM 665 N PHE A 48 7.114 -7.178 -7.230 1.00 0.00 N ATOM 666 CA PHE A 48 8.501 -6.929 -7.603 1.00 0.00 C ATOM 667 C PHE A 48 8.657 -6.880 -9.120 1.00 0.00 C ATOM 668 O PHE A 48 7.782 -7.331 -9.858 1.00 0.00 O ATOM 669 CB PHE A 48 9.410 -8.014 -7.021 1.00 0.00 C ATOM 670 CG PHE A 48 10.799 -7.530 -6.713 1.00 0.00 C ATOM 671 CD1 PHE A 48 11.018 -6.615 -5.696 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.884 -7.991 -7.441 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.295 -6.169 -5.410 1.00 0.00 C ATOM 674 CE2 PHE A 48 13.163 -7.548 -7.159 1.00 0.00 C ATOM 675 CZ PHE A 48 13.368 -6.635 -6.143 1.00 0.00 C ATOM 0 H PHE A 48 6.952 -8.082 -6.786 1.00 0.00 H new ATOM 0 HA PHE A 48 8.792 -5.961 -7.194 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.959 -8.404 -6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.471 -8.843 -7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.182 -6.246 -5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.729 -8.704 -8.237 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.453 -5.457 -4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.001 -7.916 -7.733 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.366 -6.286 -5.922 1.00 0.00 H new ATOM 685 N GLU A 49 9.777 -6.328 -9.577 1.00 0.00 N ATOM 686 CA GLU A 49 10.046 -6.218 -11.005 1.00 0.00 C ATOM 687 C GLU A 49 10.236 -7.597 -11.631 1.00 0.00 C ATOM 688 O GLU A 49 9.716 -7.879 -12.710 1.00 0.00 O ATOM 689 CB GLU A 49 11.290 -5.361 -11.248 1.00 0.00 C ATOM 690 CG GLU A 49 12.569 -5.977 -10.708 1.00 0.00 C ATOM 691 CD GLU A 49 13.226 -6.920 -11.697 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.024 -6.735 -12.916 1.00 0.00 O ATOM 693 OE2 GLU A 49 13.941 -7.842 -11.253 1.00 0.00 O ATOM 0 H GLU A 49 10.512 -5.950 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 49 9.186 -5.740 -11.474 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.402 -5.193 -12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.144 -4.385 -10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.269 -5.183 -10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.347 -6.518 -9.788 1.00 0.00 H new ATOM 700 N GLY A 50 10.986 -8.454 -10.944 1.00 0.00 N ATOM 701 CA GLY A 50 11.232 -9.793 -11.447 1.00 0.00 C ATOM 702 C GLY A 50 10.227 -10.801 -10.929 1.00 0.00 C ATOM 703 O GLY A 50 10.597 -11.793 -10.300 1.00 0.00 O ATOM 0 H GLY A 50 11.427 -8.245 -10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.200 -9.780 -12.536 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.236 -10.106 -11.161 1.00 0.00 H new ATOM 707 N THR A 51 8.948 -10.548 -11.190 1.00 0.00 N ATOM 708 CA THR A 51 7.885 -11.439 -10.743 1.00 0.00 C ATOM 709 C THR A 51 6.678 -11.364 -11.671 1.00 0.00 C ATOM 710 O THR A 51 6.572 -10.455 -12.493 1.00 0.00 O ATOM 711 CB THR A 51 7.438 -11.105 -9.308 1.00 0.00 C ATOM 712 OG1 THR A 51 7.401 -9.685 -9.125 1.00 0.00 O ATOM 713 CG2 THR A 51 8.379 -11.729 -8.288 1.00 0.00 C ATOM 0 H THR A 51 8.623 -9.732 -11.709 1.00 0.00 H new ATOM 0 HA THR A 51 8.291 -12.450 -10.762 1.00 0.00 H new ATOM 0 HB THR A 51 6.440 -11.517 -9.157 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.347 -9.244 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.042 -11.479 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.382 -12.812 -8.411 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.387 -11.344 -8.440 1.00 0.00 H new ATOM 721 N GLU A 52 5.769 -12.324 -11.531 1.00 0.00 N ATOM 722 CA GLU A 52 4.568 -12.364 -12.357 1.00 0.00 C ATOM 723 C GLU A 52 3.312 -12.384 -11.491 1.00 0.00 C ATOM 724 O GLU A 52 2.196 -12.496 -12.000 1.00 0.00 O ATOM 725 CB GLU A 52 4.591 -13.592 -13.270 1.00 0.00 C ATOM 726 CG GLU A 52 4.640 -14.910 -12.515 1.00 0.00 C ATOM 727 CD GLU A 52 6.002 -15.187 -11.910 1.00 0.00 C ATOM 728 OE1 GLU A 52 6.975 -15.328 -12.681 1.00 0.00 O ATOM 729 OE2 GLU A 52 6.097 -15.262 -10.667 1.00 0.00 O ATOM 0 H GLU A 52 5.841 -13.084 -10.854 1.00 0.00 H new ATOM 0 HA GLU A 52 4.550 -11.464 -12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.705 -13.579 -13.905 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.457 -13.528 -13.929 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.891 -14.899 -11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.376 -15.722 -13.192 1.00 0.00 H new ATOM 736 N ASP A 53 3.502 -12.275 -10.181 1.00 0.00 N ATOM 737 CA ASP A 53 2.385 -12.280 -9.244 1.00 0.00 C ATOM 738 C ASP A 53 2.651 -11.333 -8.077 1.00 0.00 C ATOM 739 O ASP A 53 3.789 -11.187 -7.631 1.00 0.00 O ATOM 740 CB ASP A 53 2.136 -13.695 -8.722 1.00 0.00 C ATOM 741 CG ASP A 53 0.816 -13.816 -7.984 1.00 0.00 C ATOM 742 OD1 ASP A 53 -0.239 -13.796 -8.651 1.00 0.00 O ATOM 743 OD2 ASP A 53 0.839 -13.931 -6.741 1.00 0.00 O ATOM 0 H ASP A 53 4.419 -12.182 -9.744 1.00 0.00 H new ATOM 0 HA ASP A 53 1.497 -11.935 -9.773 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.147 -14.395 -9.558 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.949 -13.982 -8.055 1.00 0.00 H new ATOM 748 N TRP A 54 1.595 -10.693 -7.589 1.00 0.00 N ATOM 749 CA TRP A 54 1.715 -9.760 -6.474 1.00 0.00 C ATOM 750 C TRP A 54 2.122 -10.486 -5.197 1.00 0.00 C ATOM 751 O TRP A 54 1.922 -11.694 -5.069 1.00 0.00 O ATOM 752 CB TRP A 54 0.394 -9.021 -6.256 1.00 0.00 C ATOM 753 CG TRP A 54 0.057 -8.068 -7.363 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.723 -8.322 -8.454 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.491 -6.709 -7.485 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.800 -7.203 -9.248 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.065 -6.199 -8.675 1.00 0.00 C ATOM 758 CE3 TRP A 54 1.293 -5.872 -6.704 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.159 -4.893 -9.101 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.514 -4.576 -7.128 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.948 -4.096 -8.317 1.00 0.00 C ATOM 0 H TRP A 54 0.646 -10.803 -7.947 1.00 0.00 H new ATOM 0 HA TRP A 54 2.492 -9.036 -6.721 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.410 -9.750 -6.157 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.444 -8.472 -5.316 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.208 -9.264 -8.663 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.320 -7.132 -10.122 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.732 -6.232 -5.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.275 -4.522 -10.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.134 -3.921 -6.533 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.138 -3.077 -8.620 1.00 0.00 H new ATOM 772 N ILE A 55 2.694 -9.743 -4.256 1.00 0.00 N ATOM 773 CA ILE A 55 3.127 -10.318 -2.988 1.00 0.00 C ATOM 774 C ILE A 55 2.406 -9.666 -1.814 1.00 0.00 C ATOM 775 O ILE A 55 2.113 -8.471 -1.837 1.00 0.00 O ATOM 776 CB ILE A 55 4.647 -10.165 -2.791 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.399 -10.726 -4.000 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.089 -10.866 -1.515 1.00 0.00 C ATOM 779 CD1 ILE A 55 6.721 -10.039 -4.261 1.00 0.00 C ATOM 0 H ILE A 55 2.868 -8.742 -4.347 1.00 0.00 H new ATOM 0 HA ILE A 55 2.877 -11.379 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 55 4.882 -9.104 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.576 -11.790 -3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.769 -10.633 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.165 -10.749 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.574 -10.426 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.844 -11.926 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.199 -10.488 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.550 -8.979 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.369 -10.155 -3.392 1.00 0.00 H new ATOM 791 N VAL A 56 2.123 -10.460 -0.786 1.00 0.00 N ATOM 792 CA VAL A 56 1.438 -9.960 0.401 1.00 0.00 C ATOM 793 C VAL A 56 2.435 -9.554 1.480 1.00 0.00 C ATOM 794 O VAL A 56 3.298 -10.339 1.870 1.00 0.00 O ATOM 795 CB VAL A 56 0.474 -11.014 0.978 1.00 0.00 C ATOM 796 CG1 VAL A 56 -0.217 -10.480 2.223 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.546 -11.433 -0.070 1.00 0.00 C ATOM 0 H VAL A 56 2.357 -11.452 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 56 0.865 -9.085 0.092 1.00 0.00 H new ATOM 0 HB VAL A 56 1.052 -11.894 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.894 -11.238 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.531 -10.234 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.784 -9.584 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.219 -12.178 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.121 -10.563 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.030 -11.859 -0.930 1.00 0.00 H new ATOM 807 N ALA A 57 2.309 -8.320 1.960 1.00 0.00 N ATOM 808 CA ALA A 57 3.197 -7.810 2.996 1.00 0.00 C ATOM 809 C ALA A 57 2.618 -8.055 4.385 1.00 0.00 C ATOM 810 O ALA A 57 3.330 -8.463 5.302 1.00 0.00 O ATOM 811 CB ALA A 57 3.456 -6.325 2.785 1.00 0.00 C ATOM 0 H ALA A 57 1.600 -7.656 1.647 1.00 0.00 H new ATOM 0 HA ALA A 57 4.143 -8.347 2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.121 -5.957 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.921 -6.171 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.512 -5.782 2.826 1.00 0.00 H new ATOM 817 N ASN A 58 1.321 -7.804 4.534 1.00 0.00 N ATOM 818 CA ASN A 58 0.647 -7.997 5.813 1.00 0.00 C ATOM 819 C ASN A 58 0.265 -9.461 6.010 1.00 0.00 C ATOM 820 O ASN A 58 0.163 -10.223 5.049 1.00 0.00 O ATOM 821 CB ASN A 58 -0.602 -7.117 5.892 1.00 0.00 C ATOM 822 CG ASN A 58 -1.771 -7.701 5.123 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.608 -8.204 4.011 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.959 -7.638 5.714 1.00 0.00 N ATOM 0 H ASN A 58 0.716 -7.467 3.785 1.00 0.00 H new ATOM 0 HA ASN A 58 1.336 -7.710 6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.886 -6.987 6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.371 -6.127 5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.782 -8.016 5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.048 -7.212 6.637 1.00 0.00 H new ATOM 831 N LYS A 59 0.054 -9.847 7.264 1.00 0.00 N ATOM 832 CA LYS A 59 -0.319 -11.218 7.590 1.00 0.00 C ATOM 833 C LYS A 59 -1.825 -11.420 7.453 1.00 0.00 C ATOM 834 O LYS A 59 -2.278 -12.345 6.779 1.00 0.00 O ATOM 835 CB LYS A 59 0.125 -11.565 9.013 1.00 0.00 C ATOM 836 CG LYS A 59 0.063 -13.050 9.325 1.00 0.00 C ATOM 837 CD LYS A 59 1.185 -13.811 8.637 1.00 0.00 C ATOM 838 CE LYS A 59 2.444 -13.838 9.489 1.00 0.00 C ATOM 839 NZ LYS A 59 3.363 -14.938 9.086 1.00 0.00 N ATOM 0 H LYS A 59 0.135 -9.229 8.071 1.00 0.00 H new ATOM 0 HA LYS A 59 0.184 -11.881 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.146 -11.213 9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.504 -11.027 9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.128 -13.199 10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.899 -13.450 9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.861 -14.831 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.405 -13.347 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.961 -12.883 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.171 -13.959 10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.209 -14.922 9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.878 -15.852 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.645 -14.809 8.093 1.00 0.00 H new ATOM 853 N ASP A 60 -2.595 -10.548 8.095 1.00 0.00 N ATOM 854 CA ASP A 60 -4.050 -10.629 8.042 1.00 0.00 C ATOM 855 C ASP A 60 -4.651 -9.307 7.576 1.00 0.00 C ATOM 856 O ASP A 60 -5.250 -9.229 6.502 1.00 0.00 O ATOM 857 CB ASP A 60 -4.611 -11.002 9.415 1.00 0.00 C ATOM 858 CG ASP A 60 -4.348 -12.451 9.774 1.00 0.00 C ATOM 859 OD1 ASP A 60 -3.189 -12.781 10.100 1.00 0.00 O ATOM 860 OD2 ASP A 60 -5.302 -13.256 9.729 1.00 0.00 O ATOM 0 H ASP A 60 -2.236 -9.777 8.658 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.320 -11.404 7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.167 -10.357 10.173 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.685 -10.817 9.428 1.00 0.00 H new ATOM 865 N LEU A 61 -4.489 -8.269 8.389 1.00 0.00 N ATOM 866 CA LEU A 61 -5.016 -6.949 8.060 1.00 0.00 C ATOM 867 C LEU A 61 -4.084 -5.850 8.561 1.00 0.00 C ATOM 868 O LEU A 61 -3.126 -6.118 9.286 1.00 0.00 O ATOM 869 CB LEU A 61 -6.408 -6.769 8.668 1.00 0.00 C ATOM 870 CG LEU A 61 -7.474 -7.765 8.210 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.630 -7.801 9.197 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.972 -7.410 6.816 1.00 0.00 C ATOM 0 H LEU A 61 -3.997 -8.316 9.281 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.087 -6.873 6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.320 -6.834 9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.756 -5.762 8.437 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.024 -8.757 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.379 -8.515 8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.262 -8.103 10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.079 -6.810 9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.730 -8.129 6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.405 -6.410 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.138 -7.436 6.114 1.00 0.00 H new ATOM 884 N ILE A 62 -4.374 -4.613 8.171 1.00 0.00 N ATOM 885 CA ILE A 62 -3.563 -3.474 8.583 1.00 0.00 C ATOM 886 C ILE A 62 -4.374 -2.501 9.433 1.00 0.00 C ATOM 887 O ILE A 62 -5.172 -1.722 8.912 1.00 0.00 O ATOM 888 CB ILE A 62 -2.991 -2.721 7.367 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.133 -3.660 6.516 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.177 -1.520 7.823 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.917 -3.166 5.103 1.00 0.00 C ATOM 0 H ILE A 62 -5.164 -4.374 7.571 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.739 -3.871 9.175 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.820 -2.363 6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.164 -3.791 6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.607 -4.641 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.779 -0.998 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.814 -0.843 8.392 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.353 -1.857 8.452 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.301 -3.881 4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.880 -3.062 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.415 -2.199 5.128 1.00 0.00 H new ATOM 903 N ASP A 63 -4.163 -2.552 10.743 1.00 0.00 N ATOM 904 CA ASP A 63 -4.872 -1.673 11.666 1.00 0.00 C ATOM 905 C ASP A 63 -4.498 -0.214 11.423 1.00 0.00 C ATOM 906 O ASP A 63 -5.350 0.609 11.089 1.00 0.00 O ATOM 907 CB ASP A 63 -4.559 -2.059 13.113 1.00 0.00 C ATOM 908 CG ASP A 63 -5.190 -1.111 14.114 1.00 0.00 C ATOM 909 OD1 ASP A 63 -6.394 -0.814 13.972 1.00 0.00 O ATOM 910 OD2 ASP A 63 -4.478 -0.665 15.039 1.00 0.00 O ATOM 0 H ASP A 63 -3.507 -3.192 11.190 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.942 -1.789 11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.916 -3.072 13.301 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.479 -2.069 13.258 1.00 0.00 H new ATOM 915 N LYS A 64 -3.218 0.100 11.595 1.00 0.00 N ATOM 916 CA LYS A 64 -2.730 1.459 11.395 1.00 0.00 C ATOM 917 C LYS A 64 -2.855 1.872 9.932 1.00 0.00 C ATOM 918 O LYS A 64 -2.861 1.028 9.035 1.00 0.00 O ATOM 919 CB LYS A 64 -1.271 1.569 11.844 1.00 0.00 C ATOM 920 CG LYS A 64 -1.066 1.289 13.322 1.00 0.00 C ATOM 921 CD LYS A 64 0.240 1.878 13.826 1.00 0.00 C ATOM 922 CE LYS A 64 0.094 3.355 14.159 1.00 0.00 C ATOM 923 NZ LYS A 64 0.186 4.209 12.942 1.00 0.00 N ATOM 0 H LYS A 64 -2.500 -0.569 11.873 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.341 2.131 11.997 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.668 0.871 11.264 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.905 2.571 11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.897 1.706 13.891 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.071 0.213 13.493 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.567 1.335 14.713 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.014 1.749 13.070 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.865 3.524 14.650 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.870 3.646 14.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.646 5.110 13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.746 3.719 12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.769 4.396 12.576 1.00 0.00 H new ATOM 937 N THR A 65 -2.955 3.177 9.697 1.00 0.00 N ATOM 938 CA THR A 65 -3.080 3.702 8.343 1.00 0.00 C ATOM 939 C THR A 65 -1.711 3.944 7.718 1.00 0.00 C ATOM 940 O THR A 65 -1.495 4.948 7.039 1.00 0.00 O ATOM 941 CB THR A 65 -3.880 5.018 8.323 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.210 6.011 9.107 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.287 4.804 8.861 1.00 0.00 C ATOM 0 H THR A 65 -2.952 3.889 10.427 1.00 0.00 H new ATOM 0 HA THR A 65 -3.614 2.951 7.761 1.00 0.00 H new ATOM 0 HB THR A 65 -3.951 5.359 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.724 6.845 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.833 5.747 8.837 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.805 4.069 8.244 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.233 4.442 9.888 1.00 0.00 H new ATOM 951 N LYS A 66 -0.787 3.017 7.952 1.00 0.00 N ATOM 952 CA LYS A 66 0.562 3.128 7.410 1.00 0.00 C ATOM 953 C LYS A 66 1.255 1.769 7.395 1.00 0.00 C ATOM 954 O LYS A 66 1.110 0.977 8.326 1.00 0.00 O ATOM 955 CB LYS A 66 1.384 4.123 8.233 1.00 0.00 C ATOM 956 CG LYS A 66 2.504 4.782 7.447 1.00 0.00 C ATOM 957 CD LYS A 66 3.513 5.448 8.368 1.00 0.00 C ATOM 958 CE LYS A 66 3.112 6.879 8.692 1.00 0.00 C ATOM 959 NZ LYS A 66 4.284 7.707 9.091 1.00 0.00 N ATOM 0 H LYS A 66 -0.948 2.181 8.513 1.00 0.00 H new ATOM 0 HA LYS A 66 0.487 3.489 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.721 4.896 8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.810 3.606 9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.008 4.035 6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.085 5.524 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.598 4.875 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.496 5.442 7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.630 7.327 7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.378 6.877 9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.969 8.675 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.729 7.294 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.974 7.730 8.313 1.00 0.00 H new ATOM 973 N PHE A 67 2.011 1.507 6.334 1.00 0.00 N ATOM 974 CA PHE A 67 2.727 0.244 6.199 1.00 0.00 C ATOM 975 C PHE A 67 4.139 0.473 5.667 1.00 0.00 C ATOM 976 O PHE A 67 4.412 1.480 5.012 1.00 0.00 O ATOM 977 CB PHE A 67 1.966 -0.702 5.267 1.00 0.00 C ATOM 978 CG PHE A 67 2.369 -2.141 5.414 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.571 -2.594 4.894 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.546 -3.041 6.071 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.946 -3.918 5.027 1.00 0.00 C ATOM 982 CE2 PHE A 67 1.915 -4.366 6.208 1.00 0.00 C ATOM 983 CZ PHE A 67 3.116 -4.805 5.684 1.00 0.00 C ATOM 0 H PHE A 67 2.144 2.152 5.555 1.00 0.00 H new ATOM 0 HA PHE A 67 2.799 -0.211 7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.898 -0.610 5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.129 -0.391 4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.223 -1.904 4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.605 -2.704 6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.886 -4.258 4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.265 -5.057 6.724 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.405 -5.840 5.788 1.00 0.00 H new ATOM 993 N THR A 68 5.033 -0.468 5.952 1.00 0.00 N ATOM 994 CA THR A 68 6.416 -0.368 5.505 1.00 0.00 C ATOM 995 C THR A 68 6.946 -1.724 5.050 1.00 0.00 C ATOM 996 O THR A 68 7.137 -2.630 5.862 1.00 0.00 O ATOM 997 CB THR A 68 7.329 0.179 6.619 1.00 0.00 C ATOM 998 OG1 THR A 68 6.992 1.542 6.902 1.00 0.00 O ATOM 999 CG2 THR A 68 8.792 0.087 6.213 1.00 0.00 C ATOM 0 H THR A 68 4.824 -1.308 6.491 1.00 0.00 H new ATOM 0 HA THR A 68 6.427 0.325 4.664 1.00 0.00 H new ATOM 0 HB THR A 68 7.178 -0.426 7.513 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.575 1.883 7.612 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.418 0.479 7.015 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.053 -0.955 6.025 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.956 0.671 5.307 1.00 0.00 H new ATOM 1007 N ILE A 69 7.181 -1.855 3.749 1.00 0.00 N ATOM 1008 CA ILE A 69 7.690 -3.100 3.188 1.00 0.00 C ATOM 1009 C ILE A 69 9.114 -3.375 3.660 1.00 0.00 C ATOM 1010 O ILE A 69 10.066 -2.744 3.200 1.00 0.00 O ATOM 1011 CB ILE A 69 7.669 -3.074 1.648 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.250 -2.810 1.140 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.203 -4.384 1.088 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.201 -2.310 -0.286 1.00 0.00 C ATOM 0 H ILE A 69 7.027 -1.115 3.064 1.00 0.00 H new ATOM 0 HA ILE A 69 7.033 -3.895 3.540 1.00 0.00 H new ATOM 0 HB ILE A 69 8.314 -2.265 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.670 -3.730 1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.771 -2.078 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.182 -4.350 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.228 -4.533 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.582 -5.209 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.164 -2.145 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.753 -1.373 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.650 -3.051 -0.947 1.00 0.00 H new ATOM 1026 N THR A 70 9.253 -4.323 4.583 1.00 0.00 N ATOM 1027 CA THR A 70 10.560 -4.682 5.118 1.00 0.00 C ATOM 1028 C THR A 70 11.280 -5.661 4.198 1.00 0.00 C ATOM 1029 O THR A 70 10.706 -6.661 3.769 1.00 0.00 O ATOM 1030 CB THR A 70 10.440 -5.306 6.521 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.502 -6.388 6.497 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.997 -4.267 7.540 1.00 0.00 C ATOM 0 H THR A 70 8.476 -4.855 4.975 1.00 0.00 H new ATOM 0 HA THR A 70 11.138 -3.760 5.187 1.00 0.00 H new ATOM 0 HB THR A 70 11.421 -5.682 6.812 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.587 -6.876 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.919 -4.731 8.523 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.728 -3.459 7.577 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.026 -3.865 7.251 1.00 0.00 H new ATOM 1040 N GLY A 71 12.542 -5.367 3.900 1.00 0.00 N ATOM 1041 CA GLY A 71 13.320 -6.233 3.033 1.00 0.00 C ATOM 1042 C GLY A 71 13.221 -5.833 1.574 1.00 0.00 C ATOM 1043 O GLY A 71 12.582 -6.520 0.776 1.00 0.00 O ATOM 0 H GLY A 71 13.039 -4.545 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.365 -6.209 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.977 -7.261 3.149 1.00 0.00 H new ATOM 1047 N LEU A 72 13.853 -4.718 1.224 1.00 0.00 N ATOM 1048 CA LEU A 72 13.832 -4.226 -0.149 1.00 0.00 C ATOM 1049 C LEU A 72 15.239 -3.880 -0.625 1.00 0.00 C ATOM 1050 O LEU A 72 15.960 -3.104 0.002 1.00 0.00 O ATOM 1051 CB LEU A 72 12.928 -2.997 -0.258 1.00 0.00 C ATOM 1052 CG LEU A 72 11.459 -3.270 -0.580 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.615 -2.032 -0.318 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.305 -3.727 -2.023 1.00 0.00 C ATOM 0 H LEU A 72 14.386 -4.138 1.872 1.00 0.00 H new ATOM 0 HA LEU A 72 13.437 -5.017 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.977 -2.450 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.332 -2.341 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 72 11.107 -4.069 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.572 -2.246 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.700 -1.749 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.967 -1.212 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.253 -3.917 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.675 -2.950 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.877 -4.642 -2.178 1.00 0.00 H new ATOM 1066 N PRO A 73 15.641 -4.467 -1.763 1.00 0.00 N ATOM 1067 CA PRO A 73 16.963 -4.234 -2.350 1.00 0.00 C ATOM 1068 C PRO A 73 17.108 -2.824 -2.911 1.00 0.00 C ATOM 1069 O PRO A 73 16.272 -2.366 -3.692 1.00 0.00 O ATOM 1070 CB PRO A 73 17.039 -5.268 -3.475 1.00 0.00 C ATOM 1071 CG PRO A 73 15.619 -5.538 -3.838 1.00 0.00 C ATOM 1072 CD PRO A 73 14.834 -5.403 -2.563 1.00 0.00 C ATOM 0 HA PRO A 73 17.759 -4.329 -1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.600 -4.885 -4.328 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.543 -6.176 -3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.267 -4.832 -4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.507 -6.536 -4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.832 -5.014 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.716 -6.363 -2.060 1.00 0.00 H new ATOM 1080 N THR A 74 18.174 -2.138 -2.511 1.00 0.00 N ATOM 1081 CA THR A 74 18.428 -0.780 -2.973 1.00 0.00 C ATOM 1082 C THR A 74 18.343 -0.692 -4.493 1.00 0.00 C ATOM 1083 O THR A 74 18.467 -1.698 -5.190 1.00 0.00 O ATOM 1084 CB THR A 74 19.812 -0.280 -2.518 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.908 -0.336 -1.091 1.00 0.00 O ATOM 1086 CG2 THR A 74 20.057 1.144 -2.993 1.00 0.00 C ATOM 0 H THR A 74 18.876 -2.502 -1.867 1.00 0.00 H new ATOM 0 HA THR A 74 17.659 -0.147 -2.531 1.00 0.00 H new ATOM 0 HB THR A 74 20.570 -0.928 -2.958 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.032 -0.144 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.041 1.475 -2.659 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.013 1.177 -4.082 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.293 1.802 -2.579 1.00 0.00 H new ATOM 1094 N ASP A 75 18.131 0.518 -5.000 1.00 0.00 N ATOM 1095 CA ASP A 75 18.031 0.737 -6.438 1.00 0.00 C ATOM 1096 C ASP A 75 17.119 -0.301 -7.084 1.00 0.00 C ATOM 1097 O ASP A 75 17.465 -0.897 -8.103 1.00 0.00 O ATOM 1098 CB ASP A 75 19.418 0.686 -7.081 1.00 0.00 C ATOM 1099 CG ASP A 75 20.237 -0.495 -6.599 1.00 0.00 C ATOM 1100 OD1 ASP A 75 20.081 -1.596 -7.168 1.00 0.00 O ATOM 1101 OD2 ASP A 75 21.032 -0.320 -5.651 1.00 0.00 O ATOM 0 H ASP A 75 18.025 1.362 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 75 17.600 1.725 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.311 0.632 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.952 1.610 -6.859 1.00 0.00 H new ATOM 1106 N ALA A 76 15.953 -0.512 -6.483 1.00 0.00 N ATOM 1107 CA ALA A 76 14.991 -1.477 -7.001 1.00 0.00 C ATOM 1108 C ALA A 76 13.620 -0.837 -7.191 1.00 0.00 C ATOM 1109 O ALA A 76 13.194 -0.006 -6.389 1.00 0.00 O ATOM 1110 CB ALA A 76 14.891 -2.675 -6.068 1.00 0.00 C ATOM 0 H ALA A 76 15.652 -0.028 -5.637 1.00 0.00 H new ATOM 0 HA ALA A 76 15.343 -1.817 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.169 -3.388 -6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.866 -3.154 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.566 -2.342 -5.082 1.00 0.00 H new ATOM 1116 N LYS A 77 12.932 -1.229 -8.259 1.00 0.00 N ATOM 1117 CA LYS A 77 11.609 -0.694 -8.556 1.00 0.00 C ATOM 1118 C LYS A 77 10.520 -1.693 -8.174 1.00 0.00 C ATOM 1119 O LYS A 77 10.677 -2.899 -8.366 1.00 0.00 O ATOM 1120 CB LYS A 77 11.498 -0.347 -10.042 1.00 0.00 C ATOM 1121 CG LYS A 77 12.172 0.963 -10.412 1.00 0.00 C ATOM 1122 CD LYS A 77 11.952 1.309 -11.875 1.00 0.00 C ATOM 1123 CE LYS A 77 12.215 2.783 -12.144 1.00 0.00 C ATOM 1124 NZ LYS A 77 12.504 3.041 -13.582 1.00 0.00 N ATOM 0 H LYS A 77 13.270 -1.916 -8.933 1.00 0.00 H new ATOM 0 HA LYS A 77 11.470 0.212 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.940 -1.152 -10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.444 -0.294 -10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.781 1.764 -9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.241 0.893 -10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.610 0.701 -12.497 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.929 1.063 -12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.348 3.369 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.057 3.118 -11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.678 4.056 -13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.346 2.502 -13.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.690 2.745 -14.158 1.00 0.00 H new ATOM 1138 N ILE A 78 9.419 -1.183 -7.634 1.00 0.00 N ATOM 1139 CA ILE A 78 8.304 -2.031 -7.228 1.00 0.00 C ATOM 1140 C ILE A 78 6.974 -1.303 -7.389 1.00 0.00 C ATOM 1141 O ILE A 78 6.932 -0.150 -7.819 1.00 0.00 O ATOM 1142 CB ILE A 78 8.451 -2.493 -5.767 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.554 -1.283 -4.835 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.671 -3.390 -5.615 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.213 -0.782 -4.346 1.00 0.00 C ATOM 0 H ILE A 78 9.274 -0.187 -7.467 1.00 0.00 H new ATOM 0 HA ILE A 78 8.318 -2.905 -7.879 1.00 0.00 H new ATOM 0 HB ILE A 78 7.566 -3.067 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.169 -1.548 -3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.067 -0.475 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.761 -3.708 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.561 -4.266 -6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.566 -2.839 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.362 0.076 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.602 -0.486 -5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.707 -1.575 -3.796 1.00 0.00 H new ATOM 1157 N PHE A 79 5.888 -1.984 -7.038 1.00 0.00 N ATOM 1158 CA PHE A 79 4.554 -1.403 -7.142 1.00 0.00 C ATOM 1159 C PHE A 79 3.800 -1.534 -5.822 1.00 0.00 C ATOM 1160 O PHE A 79 4.013 -2.479 -5.063 1.00 0.00 O ATOM 1161 CB PHE A 79 3.765 -2.081 -8.263 1.00 0.00 C ATOM 1162 CG PHE A 79 4.471 -2.064 -9.589 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.478 -0.920 -10.370 1.00 0.00 C ATOM 1164 CD2 PHE A 79 5.128 -3.193 -10.053 1.00 0.00 C ATOM 1165 CE1 PHE A 79 5.128 -0.901 -11.590 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.780 -3.179 -11.272 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.778 -2.033 -12.042 1.00 0.00 C ATOM 0 H PHE A 79 5.905 -2.939 -6.679 1.00 0.00 H new ATOM 0 HA PHE A 79 4.663 -0.344 -7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.564 -3.114 -7.981 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.800 -1.586 -8.368 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.970 -0.033 -10.022 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.131 -4.093 -9.456 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.128 -0.002 -12.189 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.291 -4.064 -11.622 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.284 -2.022 -12.996 1.00 0.00 H new ATOM 1177 N VAL A 80 2.916 -0.577 -5.555 1.00 0.00 N ATOM 1178 CA VAL A 80 2.129 -0.585 -4.328 1.00 0.00 C ATOM 1179 C VAL A 80 0.642 -0.429 -4.628 1.00 0.00 C ATOM 1180 O VAL A 80 0.220 0.562 -5.225 1.00 0.00 O ATOM 1181 CB VAL A 80 2.569 0.539 -3.372 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.714 0.536 -2.113 1.00 0.00 C ATOM 1183 CG2 VAL A 80 4.043 0.396 -3.025 1.00 0.00 C ATOM 0 H VAL A 80 2.727 0.213 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 80 2.301 -1.548 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 80 2.428 1.496 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.040 1.337 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.669 0.691 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.820 -0.422 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.337 1.199 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.211 -0.566 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.638 0.453 -3.936 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.147 -1.413 -4.209 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.587 -1.385 -4.434 1.00 0.00 C ATOM 1195 C ARG A 81 -2.345 -1.666 -3.139 1.00 0.00 C ATOM 1196 O ARG A 81 -2.031 -2.611 -2.416 1.00 0.00 O ATOM 1197 CB ARG A 81 -1.979 -2.411 -5.499 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.053 -2.421 -6.704 1.00 0.00 C ATOM 1199 CD ARG A 81 -1.528 -1.458 -7.780 1.00 0.00 C ATOM 1200 NE ARG A 81 -0.557 -1.324 -8.863 1.00 0.00 N ATOM 1201 CZ ARG A 81 0.477 -0.491 -8.824 1.00 0.00 C ATOM 1202 NH1 ARG A 81 0.674 0.278 -7.761 1.00 0.00 N ATOM 1203 NH2 ARG A 81 1.318 -0.427 -9.849 1.00 0.00 N ATOM 0 H ARG A 81 0.187 -2.239 -3.712 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.855 -0.388 -4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.987 -3.404 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.995 -2.204 -5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.045 -2.150 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.999 -3.429 -7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.477 -1.808 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.712 -0.480 -7.335 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.680 -1.902 -9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.031 0.231 -6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.469 0.917 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.170 -1.018 -10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.112 0.213 -9.818 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.343 -0.837 -2.852 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.146 -0.995 -1.646 1.00 0.00 C ATOM 1219 C VAL A 82 -5.633 -1.057 -1.979 1.00 0.00 C ATOM 1220 O VAL A 82 -6.126 -0.298 -2.813 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.901 0.157 -0.653 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.482 0.100 -0.108 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.173 1.498 -1.317 1.00 0.00 C ATOM 0 H VAL A 82 -3.615 -0.048 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.841 -1.934 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.590 0.045 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.328 0.921 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.328 -0.849 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.772 0.186 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.995 2.301 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.510 1.621 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.209 1.534 -1.653 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.343 -1.967 -1.321 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.775 -2.128 -1.544 1.00 0.00 C ATOM 1235 C LYS A 83 -8.509 -2.360 -0.227 1.00 0.00 C ATOM 1236 O LYS A 83 -8.058 -3.134 0.617 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.035 -3.298 -2.497 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.243 -4.548 -2.155 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.880 -5.792 -2.752 1.00 0.00 C ATOM 1240 CE LYS A 83 -7.129 -7.051 -2.347 1.00 0.00 C ATOM 1241 NZ LYS A 83 -7.921 -8.282 -2.623 1.00 0.00 N ATOM 0 H LYS A 83 -5.950 -2.605 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.152 -1.209 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.098 -3.537 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.790 -2.989 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.223 -4.447 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.179 -4.655 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.917 -5.864 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.894 -5.709 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.183 -7.099 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.888 -7.005 -1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.375 -9.118 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.813 -8.248 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.129 -8.340 -3.640 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.641 -1.685 -0.059 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.439 -1.820 1.153 1.00 0.00 C ATOM 1257 C ALA A 84 -11.038 -3.218 1.263 1.00 0.00 C ATOM 1258 O ALA A 84 -11.716 -3.688 0.349 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.538 -0.769 1.182 1.00 0.00 C ATOM 0 H ALA A 84 -10.026 -1.039 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.782 -1.666 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.126 -0.882 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.091 0.225 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.186 -0.896 0.314 1.00 0.00 H new ATOM 1265 N VAL A 85 -10.783 -3.880 2.388 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.297 -5.224 2.618 1.00 0.00 C ATOM 1267 C VAL A 85 -12.353 -5.228 3.718 1.00 0.00 C ATOM 1268 O VAL A 85 -12.062 -4.916 4.872 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.169 -6.200 3.000 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -10.736 -7.573 3.325 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.141 -6.289 1.882 1.00 0.00 C ATOM 0 H VAL A 85 -10.223 -3.506 3.154 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.750 -5.553 1.683 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.671 -5.820 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.923 -8.248 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.430 -7.491 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.262 -7.965 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.351 -6.983 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.623 -6.644 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.711 -5.303 1.704 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.579 -5.585 3.353 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.679 -5.630 4.310 1.00 0.00 C ATOM 1283 C ASN A 86 -15.313 -7.018 4.345 1.00 0.00 C ATOM 1284 O ASN A 86 -14.962 -7.892 3.553 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.736 -4.583 3.953 1.00 0.00 C ATOM 1286 CG ASN A 86 -15.125 -3.308 3.404 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -15.220 -2.247 4.020 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.494 -3.408 2.240 1.00 0.00 N ATOM 0 H ASN A 86 -13.837 -5.847 2.402 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.277 -5.408 5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.422 -5.000 3.216 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.325 -4.348 4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.063 -2.584 1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.440 -4.309 1.765 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.249 -7.211 5.268 1.00 0.00 N ATOM 1296 CA ALA A 87 -16.934 -8.491 5.406 1.00 0.00 C ATOM 1297 C ALA A 87 -17.755 -8.810 4.161 1.00 0.00 C ATOM 1298 O ALA A 87 -17.811 -9.957 3.720 1.00 0.00 O ATOM 1299 CB ALA A 87 -17.823 -8.484 6.640 1.00 0.00 C ATOM 0 H ALA A 87 -16.551 -6.498 5.932 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.179 -9.269 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.328 -9.446 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.213 -8.310 7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -18.566 -7.691 6.549 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.393 -7.787 3.600 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.211 -7.959 2.406 1.00 0.00 C ATOM 1307 C ALA A 88 -18.346 -8.274 1.190 1.00 0.00 C ATOM 1308 O ALA A 88 -18.589 -9.249 0.480 1.00 0.00 O ATOM 1309 CB ALA A 88 -20.045 -6.712 2.154 1.00 0.00 C ATOM 0 H ALA A 88 -18.359 -6.831 3.954 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.881 -8.803 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.651 -6.854 1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.697 -6.531 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.386 -5.856 2.013 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.337 -7.442 0.955 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.452 -7.649 -0.177 1.00 0.00 C ATOM 1317 C GLY A 89 -15.357 -6.604 -0.256 1.00 0.00 C ATOM 1318 O GLY A 89 -15.315 -5.677 0.553 1.00 0.00 O ATOM 0 H GLY A 89 -17.116 -6.628 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.001 -8.639 -0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -17.035 -7.630 -1.098 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.468 -6.753 -1.232 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.368 -5.814 -1.414 1.00 0.00 C ATOM 1324 C ALA A 90 -13.653 -4.849 -2.559 1.00 0.00 C ATOM 1325 O ALA A 90 -14.480 -5.128 -3.427 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.069 -6.566 -1.665 1.00 0.00 C ATOM 0 H ALA A 90 -14.488 -7.515 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.266 -5.230 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.256 -5.853 -1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.850 -7.209 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.169 -7.175 -2.563 1.00 0.00 H new ATOM 1332 N SER A 91 -12.963 -3.713 -2.555 1.00 0.00 N ATOM 1333 CA SER A 91 -13.146 -2.704 -3.592 1.00 0.00 C ATOM 1334 C SER A 91 -12.003 -2.749 -4.601 1.00 0.00 C ATOM 1335 O SER A 91 -10.940 -3.306 -4.327 1.00 0.00 O ATOM 1336 CB SER A 91 -13.235 -1.310 -2.967 1.00 0.00 C ATOM 1337 OG SER A 91 -14.020 -0.442 -3.766 1.00 0.00 O ATOM 0 H SER A 91 -12.272 -3.468 -1.845 1.00 0.00 H new ATOM 0 HA SER A 91 -14.078 -2.920 -4.115 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.668 -1.382 -1.969 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.234 -0.896 -2.850 1.00 0.00 H new ATOM 0 HG SER A 91 -13.812 0.489 -3.539 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.231 -2.159 -5.770 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.220 -2.133 -6.822 1.00 0.00 C ATOM 1345 C GLU A 92 -9.865 -1.710 -6.263 1.00 0.00 C ATOM 1346 O GLU A 92 -9.767 -0.859 -5.378 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.642 -1.179 -7.941 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.511 0.289 -7.573 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.758 1.211 -8.751 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -12.531 0.827 -9.653 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -11.178 2.317 -8.770 1.00 0.00 O ATOM 0 H GLU A 92 -13.105 -1.693 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.128 -3.140 -7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.036 -1.379 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.677 -1.386 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.218 0.525 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.512 0.472 -7.176 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.792 -2.318 -6.790 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.422 -2.022 -6.360 1.00 0.00 C ATOM 1360 C PRO A 93 -6.968 -0.632 -6.790 1.00 0.00 C ATOM 1361 O PRO A 93 -7.232 -0.200 -7.913 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.590 -3.098 -7.061 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.393 -3.480 -8.256 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.834 -3.342 -7.848 1.00 0.00 C ATOM 0 HA PRO A 93 -7.324 -2.029 -5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.610 -2.716 -7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.420 -3.954 -6.408 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.164 -2.834 -9.103 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.171 -4.501 -8.565 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.460 -3.031 -8.684 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.239 -4.284 -7.479 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.281 0.066 -5.892 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.787 1.407 -6.178 1.00 0.00 C ATOM 1374 C LYS A 94 -4.425 1.351 -6.861 1.00 0.00 C ATOM 1375 O LYS A 94 -3.428 0.968 -6.249 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.689 2.224 -4.887 1.00 0.00 C ATOM 1377 CG LYS A 94 -4.918 3.523 -5.046 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.758 4.590 -5.727 1.00 0.00 C ATOM 1379 CE LYS A 94 -5.309 5.989 -5.332 1.00 0.00 C ATOM 1380 NZ LYS A 94 -4.256 6.511 -6.246 1.00 0.00 N ATOM 0 H LYS A 94 -6.054 -0.276 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.493 1.890 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.695 2.449 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.209 1.618 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.599 3.880 -4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.015 3.342 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.686 4.476 -6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.806 4.454 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.166 6.662 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.929 5.974 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.976 7.466 -5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.428 5.882 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.627 6.550 -7.217 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.389 1.736 -8.132 1.00 0.00 N ATOM 1395 CA TYR A 95 -3.148 1.729 -8.898 1.00 0.00 C ATOM 1396 C TYR A 95 -2.466 3.092 -8.844 1.00 0.00 C ATOM 1397 O TYR A 95 -2.931 4.056 -9.453 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.425 1.342 -10.352 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.518 -0.151 -10.574 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -2.378 -0.911 -10.807 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -4.746 -0.801 -10.551 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -2.459 -2.275 -11.011 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -4.835 -2.165 -10.753 1.00 0.00 C ATOM 1404 CZ TYR A 95 -3.689 -2.897 -10.982 1.00 0.00 C ATOM 1405 OH TYR A 95 -3.775 -4.256 -11.185 1.00 0.00 O ATOM 0 H TYR A 95 -5.205 2.057 -8.654 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.480 0.992 -8.453 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.357 1.807 -10.672 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.634 1.746 -10.984 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.413 -0.427 -10.829 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.646 -0.231 -10.372 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -1.564 -2.851 -11.192 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.797 -2.655 -10.732 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.713 -4.536 -11.132 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.361 3.165 -8.111 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.614 4.410 -7.975 1.00 0.00 C ATOM 1417 C TYR A 96 -0.087 4.880 -9.328 1.00 0.00 C ATOM 1418 O TYR A 96 0.412 4.084 -10.123 1.00 0.00 O ATOM 1419 CB TYR A 96 0.548 4.227 -6.998 1.00 0.00 C ATOM 1420 CG TYR A 96 1.185 5.529 -6.564 1.00 0.00 C ATOM 1421 CD1 TYR A 96 1.782 6.375 -7.490 1.00 0.00 C ATOM 1422 CD2 TYR A 96 1.187 5.912 -5.229 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.365 7.565 -7.098 1.00 0.00 C ATOM 1424 CE2 TYR A 96 1.767 7.100 -4.828 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.355 7.923 -5.766 1.00 0.00 C ATOM 1426 OH TYR A 96 2.933 9.107 -5.371 1.00 0.00 O ATOM 0 H TYR A 96 -0.962 2.376 -7.601 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.291 5.170 -7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.190 3.696 -6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.307 3.598 -7.463 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.791 6.098 -8.534 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.727 5.270 -4.492 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.826 8.211 -7.830 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.760 7.383 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 96 2.839 9.209 -4.401 1.00 0.00 H new ATOM 1436 N SER A 97 -0.202 6.179 -9.581 1.00 0.00 N ATOM 1437 CA SER A 97 0.259 6.757 -10.838 1.00 0.00 C ATOM 1438 C SER A 97 1.592 6.147 -11.259 1.00 0.00 C ATOM 1439 O SER A 97 1.649 5.326 -12.175 1.00 0.00 O ATOM 1440 CB SER A 97 0.399 8.275 -10.705 1.00 0.00 C ATOM 1441 OG SER A 97 0.979 8.837 -11.870 1.00 0.00 O ATOM 0 H SER A 97 -0.611 6.852 -8.932 1.00 0.00 H new ATOM 0 HA SER A 97 -0.482 6.534 -11.606 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.581 8.720 -10.532 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.015 8.512 -9.837 1.00 0.00 H new ATOM 0 HG SER A 97 1.056 9.808 -11.761 1.00 0.00 H new ATOM 1447 N GLN A 98 2.662 6.554 -10.584 1.00 0.00 N ATOM 1448 CA GLN A 98 3.996 6.049 -10.889 1.00 0.00 C ATOM 1449 C GLN A 98 4.469 5.078 -9.812 1.00 0.00 C ATOM 1450 O GLN A 98 4.034 5.129 -8.661 1.00 0.00 O ATOM 1451 CB GLN A 98 4.986 7.207 -11.019 1.00 0.00 C ATOM 1452 CG GLN A 98 5.645 7.595 -9.705 1.00 0.00 C ATOM 1453 CD GLN A 98 6.717 8.652 -9.879 1.00 0.00 C ATOM 1454 OE1 GLN A 98 6.873 9.222 -10.959 1.00 0.00 O ATOM 1455 NE2 GLN A 98 7.462 8.921 -8.813 1.00 0.00 N ATOM 0 H GLN A 98 2.632 7.232 -9.822 1.00 0.00 H new ATOM 0 HA GLN A 98 3.947 5.515 -11.838 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.759 6.934 -11.737 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.466 8.075 -11.425 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.885 7.964 -9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.085 6.709 -9.248 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.298 8.424 -7.937 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.198 9.625 -8.870 1.00 0.00 H new ATOM 1464 N PRO A 99 5.380 4.170 -10.192 1.00 0.00 N ATOM 1465 CA PRO A 99 5.932 3.170 -9.273 1.00 0.00 C ATOM 1466 C PRO A 99 6.845 3.791 -8.221 1.00 0.00 C ATOM 1467 O PRO A 99 7.424 4.855 -8.439 1.00 0.00 O ATOM 1468 CB PRO A 99 6.730 2.244 -10.195 1.00 0.00 C ATOM 1469 CG PRO A 99 7.087 3.092 -11.367 1.00 0.00 C ATOM 1470 CD PRO A 99 5.943 4.051 -11.548 1.00 0.00 C ATOM 0 HA PRO A 99 5.152 2.661 -8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.621 1.862 -9.697 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.138 1.380 -10.497 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.021 3.627 -11.192 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.231 2.483 -12.260 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.283 5.014 -11.928 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.207 3.670 -12.257 1.00 0.00 H new ATOM 1478 N ILE A 100 6.969 3.119 -7.082 1.00 0.00 N ATOM 1479 CA ILE A 100 7.813 3.605 -5.997 1.00 0.00 C ATOM 1480 C ILE A 100 9.220 3.026 -6.094 1.00 0.00 C ATOM 1481 O ILE A 100 9.399 1.811 -6.185 1.00 0.00 O ATOM 1482 CB ILE A 100 7.219 3.253 -4.620 1.00 0.00 C ATOM 1483 CG1 ILE A 100 5.746 3.660 -4.557 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.010 3.932 -3.513 1.00 0.00 C ATOM 1485 CD1 ILE A 100 4.829 2.736 -5.327 1.00 0.00 C ATOM 0 H ILE A 100 6.496 2.237 -6.886 1.00 0.00 H new ATOM 0 HA ILE A 100 7.861 4.689 -6.096 1.00 0.00 H new ATOM 0 HB ILE A 100 7.285 2.174 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.429 3.686 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.640 4.672 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.578 3.674 -2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.047 3.597 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.973 5.013 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.801 3.086 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.119 2.728 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.905 1.727 -4.922 1.00 0.00 H new ATOM 1497 N LEU A 101 10.218 3.903 -6.072 1.00 0.00 N ATOM 1498 CA LEU A 101 11.611 3.480 -6.156 1.00 0.00 C ATOM 1499 C LEU A 101 12.279 3.532 -4.786 1.00 0.00 C ATOM 1500 O LEU A 101 12.425 4.602 -4.195 1.00 0.00 O ATOM 1501 CB LEU A 101 12.375 4.364 -7.143 1.00 0.00 C ATOM 1502 CG LEU A 101 13.889 4.155 -7.198 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.226 2.897 -7.982 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.572 5.368 -7.813 1.00 0.00 C ATOM 0 H LEU A 101 10.088 4.912 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 101 11.631 2.450 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.969 4.196 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.181 5.407 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 101 14.257 4.033 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.308 2.765 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.767 2.034 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.845 2.989 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.649 5.202 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.199 5.521 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.358 6.251 -7.210 1.00 0.00 H new ATOM 1516 N VAL A 102 12.686 2.369 -4.286 1.00 0.00 N ATOM 1517 CA VAL A 102 13.343 2.283 -2.987 1.00 0.00 C ATOM 1518 C VAL A 102 14.698 2.982 -3.009 1.00 0.00 C ATOM 1519 O VAL A 102 15.743 2.333 -3.064 1.00 0.00 O ATOM 1520 CB VAL A 102 13.540 0.818 -2.554 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.359 0.061 -3.588 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.201 0.752 -1.186 1.00 0.00 C ATOM 0 H VAL A 102 12.572 1.474 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 102 12.692 2.782 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 102 12.561 0.343 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.488 -0.972 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.841 0.079 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.336 0.532 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.333 -0.290 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.173 1.243 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.571 1.256 -0.453 1.00 0.00 H new ATOM 1532 N LYS A 103 14.673 4.310 -2.964 1.00 0.00 N ATOM 1533 CA LYS A 103 15.899 5.099 -2.976 1.00 0.00 C ATOM 1534 C LYS A 103 15.803 6.268 -2.001 1.00 0.00 C ATOM 1535 O LYS A 103 14.747 6.883 -1.858 1.00 0.00 O ATOM 1536 CB LYS A 103 16.181 5.620 -4.387 1.00 0.00 C ATOM 1537 CG LYS A 103 17.563 6.229 -4.546 1.00 0.00 C ATOM 1538 CD LYS A 103 18.620 5.160 -4.770 1.00 0.00 C ATOM 1539 CE LYS A 103 20.023 5.749 -4.737 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.344 6.344 -3.411 1.00 0.00 N ATOM 0 H LYS A 103 13.817 4.862 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 103 16.720 4.454 -2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.071 4.800 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.432 6.368 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.562 6.923 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.812 6.807 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.529 4.390 -4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.450 4.674 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.749 4.971 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.114 6.513 -5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.375 6.440 -3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.901 7.282 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 19.981 5.727 -2.657 1.00 0.00 H new ATOM 1554 N GLU A 104 16.913 6.568 -1.333 1.00 0.00 N ATOM 1555 CA GLU A 104 16.953 7.664 -0.372 1.00 0.00 C ATOM 1556 C GLU A 104 16.675 8.999 -1.058 1.00 0.00 C ATOM 1557 O GLU A 104 16.728 9.103 -2.283 1.00 0.00 O ATOM 1558 CB GLU A 104 18.313 7.710 0.326 1.00 0.00 C ATOM 1559 CG GLU A 104 18.465 8.879 1.286 1.00 0.00 C ATOM 1560 CD GLU A 104 19.772 8.836 2.054 1.00 0.00 C ATOM 1561 OE1 GLU A 104 20.835 8.726 1.409 1.00 0.00 O ATOM 1562 OE2 GLU A 104 19.731 8.913 3.300 1.00 0.00 O ATOM 0 H GLU A 104 17.795 6.068 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 104 16.177 7.489 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.463 6.779 0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.098 7.766 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.407 9.813 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.633 8.876 1.991 1.00 0.00 H new ATOM 1569 N SER A 105 16.378 10.018 -0.258 1.00 0.00 N ATOM 1570 CA SER A 105 16.088 11.346 -0.786 1.00 0.00 C ATOM 1571 C SER A 105 17.000 12.393 -0.155 1.00 0.00 C ATOM 1572 O SER A 105 16.647 13.019 0.844 1.00 0.00 O ATOM 1573 CB SER A 105 14.623 11.709 -0.534 1.00 0.00 C ATOM 1574 OG SER A 105 14.350 13.038 -0.943 1.00 0.00 O ATOM 0 H SER A 105 16.332 9.949 0.759 1.00 0.00 H new ATOM 0 HA SER A 105 16.271 11.331 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.976 11.018 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.394 11.597 0.526 1.00 0.00 H new ATOM 0 HG SER A 105 13.407 13.245 -0.773 1.00 0.00 H new ATOM 1580 N GLY A 106 18.176 12.579 -0.746 1.00 0.00 N ATOM 1581 CA GLY A 106 19.121 13.551 -0.229 1.00 0.00 C ATOM 1582 C GLY A 106 18.578 14.966 -0.268 1.00 0.00 C ATOM 1583 O GLY A 106 17.831 15.342 -1.171 1.00 0.00 O ATOM 0 H GLY A 106 18.491 12.074 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.378 13.292 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 106 20.042 13.502 -0.810 1.00 0.00 H new ATOM 1587 N PRO A 107 18.955 15.776 0.732 1.00 0.00 N ATOM 1588 CA PRO A 107 18.511 17.170 0.832 1.00 0.00 C ATOM 1589 C PRO A 107 19.128 18.053 -0.248 1.00 0.00 C ATOM 1590 O PRO A 107 20.304 18.410 -0.174 1.00 0.00 O ATOM 1591 CB PRO A 107 19.000 17.599 2.217 1.00 0.00 C ATOM 1592 CG PRO A 107 20.158 16.708 2.504 1.00 0.00 C ATOM 1593 CD PRO A 107 19.844 15.395 1.842 1.00 0.00 C ATOM 0 HA PRO A 107 17.434 17.266 0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 107 19.296 18.648 2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 107 18.217 17.484 2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 107 21.083 17.131 2.112 1.00 0.00 H new ATOM 0 HG3 PRO A 107 20.296 16.581 3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 107 20.746 14.900 1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 107 19.355 14.705 2.530 1.00 0.00 H new ATOM 1601 N SER A 108 18.327 18.402 -1.249 1.00 0.00 N ATOM 1602 CA SER A 108 18.795 19.241 -2.346 1.00 0.00 C ATOM 1603 C SER A 108 19.289 20.588 -1.827 1.00 0.00 C ATOM 1604 O SER A 108 18.632 21.228 -1.006 1.00 0.00 O ATOM 1605 CB SER A 108 17.676 19.455 -3.367 1.00 0.00 C ATOM 1606 OG SER A 108 16.562 20.100 -2.775 1.00 0.00 O ATOM 0 H SER A 108 17.351 18.117 -1.323 1.00 0.00 H new ATOM 0 HA SER A 108 19.627 18.730 -2.831 1.00 0.00 H new ATOM 0 HB2 SER A 108 18.048 20.054 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 108 17.367 18.494 -3.779 1.00 0.00 H new ATOM 0 HG SER A 108 15.861 20.227 -3.448 1.00 0.00 H new ATOM 1612 N SER A 109 20.452 21.012 -2.312 1.00 0.00 N ATOM 1613 CA SER A 109 21.037 22.281 -1.895 1.00 0.00 C ATOM 1614 C SER A 109 21.808 22.927 -3.042 1.00 0.00 C ATOM 1615 O SER A 109 22.375 22.238 -3.890 1.00 0.00 O ATOM 1616 CB SER A 109 21.964 22.070 -0.697 1.00 0.00 C ATOM 1617 OG SER A 109 23.119 21.339 -1.069 1.00 0.00 O ATOM 0 H SER A 109 21.007 20.495 -2.994 1.00 0.00 H new ATOM 0 HA SER A 109 20.226 22.949 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 109 22.258 23.036 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 109 21.431 21.537 0.090 1.00 0.00 H new ATOM 0 HG SER A 109 23.696 21.219 -0.286 1.00 0.00 H new ATOM 1623 N GLY A 110 21.825 24.256 -3.062 1.00 0.00 N ATOM 1624 CA GLY A 110 22.528 24.974 -4.109 1.00 0.00 C ATOM 1625 C GLY A 110 23.161 26.257 -3.607 1.00 0.00 C ATOM 1626 O GLY A 110 22.462 27.174 -3.176 1.00 0.00 O ATOM 0 H GLY A 110 21.364 24.849 -2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 110 23.301 24.331 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.833 25.207 -4.916 1.00 0.00 H new TER 1630 GLY A 110