USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 716 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 49 HIS : no HD1:sc= 0 X(o=0.9,f=0.86) USER MOD Set 1.2: A 82 THR OG1 : rot -19:sc= 0.895 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc=-0.00739 X(o=-0.0074,f=-0.097) USER MOD Single : A 17 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-0.8) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=0.75) USER MOD Single : A 58 SER OG : rot 32:sc= 0.553 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -8.53! C(o=-8.5!,f=-10!) USER MOD Single : A 72 THR OG1 : rot 86:sc= 1.06 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 169:sc= -1.23 (180deg=-1.45) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 110:sc= 0 USER MOD Single : A 92 THR OG1 : rot 26:sc= 0.141 USER MOD Single : A 94 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.325 22.315 -16.213 1.00 0.00 N ATOM 2 CA GLY A 1 4.283 21.011 -16.849 1.00 0.00 C ATOM 3 C GLY A 1 2.907 20.672 -17.387 1.00 0.00 C ATOM 4 O GLY A 1 2.262 21.501 -18.028 1.00 0.00 O ATOM 0 H1 GLY A 1 5.287 22.499 -15.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.062 23.047 -16.904 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.656 22.335 -15.417 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.005 20.985 -17.665 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.586 20.250 -16.130 1.00 0.00 H new ATOM 8 N SER A 2 2.457 19.449 -17.126 1.00 0.00 N ATOM 9 CA SER A 2 1.150 19.000 -17.593 1.00 0.00 C ATOM 10 C SER A 2 0.202 18.773 -16.419 1.00 0.00 C ATOM 11 O SER A 2 0.631 18.684 -15.269 1.00 0.00 O ATOM 12 CB SER A 2 1.291 17.711 -18.405 1.00 0.00 C ATOM 13 OG SER A 2 1.933 17.957 -19.644 1.00 0.00 O ATOM 0 H SER A 2 2.978 18.752 -16.594 1.00 0.00 H new ATOM 0 HA SER A 2 0.732 19.779 -18.230 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.863 16.979 -17.835 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.306 17.279 -18.582 1.00 0.00 H new ATOM 0 HG SER A 2 2.013 17.118 -20.143 1.00 0.00 H new ATOM 19 N SER A 3 -1.089 18.681 -16.719 1.00 0.00 N ATOM 20 CA SER A 3 -2.100 18.469 -15.690 1.00 0.00 C ATOM 21 C SER A 3 -2.772 17.110 -15.860 1.00 0.00 C ATOM 22 O SER A 3 -2.872 16.589 -16.970 1.00 0.00 O ATOM 23 CB SER A 3 -3.151 19.580 -15.740 1.00 0.00 C ATOM 24 OG SER A 3 -2.573 20.842 -15.453 1.00 0.00 O ATOM 0 H SER A 3 -1.460 18.750 -17.667 1.00 0.00 H new ATOM 0 HA SER A 3 -1.604 18.491 -14.719 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.613 19.604 -16.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.944 19.368 -15.022 1.00 0.00 H new ATOM 0 HG SER A 3 -3.265 21.535 -15.493 1.00 0.00 H new ATOM 30 N GLY A 4 -3.232 16.541 -14.750 1.00 0.00 N ATOM 31 CA GLY A 4 -3.888 15.247 -14.796 1.00 0.00 C ATOM 32 C GLY A 4 -5.218 15.246 -14.069 1.00 0.00 C ATOM 33 O GLY A 4 -5.565 16.214 -13.392 1.00 0.00 O ATOM 0 H GLY A 4 -3.162 16.953 -13.820 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.045 14.959 -15.836 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.234 14.496 -14.353 1.00 0.00 H new ATOM 37 N SER A 5 -5.967 14.157 -14.211 1.00 0.00 N ATOM 38 CA SER A 5 -7.270 14.035 -13.567 1.00 0.00 C ATOM 39 C SER A 5 -7.279 12.877 -12.573 1.00 0.00 C ATOM 40 O SER A 5 -7.656 13.043 -11.413 1.00 0.00 O ATOM 41 CB SER A 5 -8.364 13.831 -14.616 1.00 0.00 C ATOM 42 OG SER A 5 -8.623 15.031 -15.323 1.00 0.00 O ATOM 0 H SER A 5 -5.694 13.346 -14.766 1.00 0.00 H new ATOM 0 HA SER A 5 -7.467 14.959 -13.023 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.061 13.052 -15.315 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.277 13.487 -14.131 1.00 0.00 H new ATOM 0 HG SER A 5 -9.325 14.874 -15.989 1.00 0.00 H new ATOM 48 N SER A 6 -6.861 11.704 -13.038 1.00 0.00 N ATOM 49 CA SER A 6 -6.824 10.517 -12.193 1.00 0.00 C ATOM 50 C SER A 6 -6.157 9.353 -12.920 1.00 0.00 C ATOM 51 O SER A 6 -6.631 8.903 -13.962 1.00 0.00 O ATOM 52 CB SER A 6 -8.240 10.123 -11.768 1.00 0.00 C ATOM 53 OG SER A 6 -8.234 8.908 -11.038 1.00 0.00 O ATOM 0 H SER A 6 -6.543 11.551 -13.995 1.00 0.00 H new ATOM 0 HA SER A 6 -6.238 10.752 -11.305 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.674 10.915 -11.158 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.872 10.018 -12.650 1.00 0.00 H new ATOM 0 HG SER A 6 -9.150 8.679 -10.777 1.00 0.00 H new ATOM 59 N GLY A 7 -5.051 8.869 -12.361 1.00 0.00 N ATOM 60 CA GLY A 7 -4.336 7.763 -12.968 1.00 0.00 C ATOM 61 C GLY A 7 -4.027 6.658 -11.977 1.00 0.00 C ATOM 62 O GLY A 7 -4.163 5.476 -12.292 1.00 0.00 O ATOM 0 H GLY A 7 -4.638 9.224 -11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.929 7.357 -13.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.405 8.130 -13.400 1.00 0.00 H new ATOM 66 N VAL A 8 -3.609 7.043 -10.776 1.00 0.00 N ATOM 67 CA VAL A 8 -3.280 6.076 -9.735 1.00 0.00 C ATOM 68 C VAL A 8 -4.007 6.399 -8.435 1.00 0.00 C ATOM 69 O VAL A 8 -4.078 7.557 -8.020 1.00 0.00 O ATOM 70 CB VAL A 8 -1.764 6.036 -9.466 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.399 4.805 -8.650 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.990 6.066 -10.775 1.00 0.00 C ATOM 0 H VAL A 8 -3.490 8.018 -10.499 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.604 5.100 -10.096 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.491 6.919 -8.889 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.324 4.794 -8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.927 4.831 -7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.684 3.907 -9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.079 6.037 -10.566 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.265 5.202 -11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.229 6.980 -11.318 1.00 0.00 H new ATOM 82 N THR A 9 -4.547 5.367 -7.793 1.00 0.00 N ATOM 83 CA THR A 9 -5.270 5.541 -6.539 1.00 0.00 C ATOM 84 C THR A 9 -4.309 5.644 -5.360 1.00 0.00 C ATOM 85 O THR A 9 -3.753 4.642 -4.908 1.00 0.00 O ATOM 86 CB THR A 9 -6.248 4.377 -6.289 1.00 0.00 C ATOM 87 OG1 THR A 9 -7.129 4.229 -7.408 1.00 0.00 O ATOM 88 CG2 THR A 9 -7.060 4.615 -5.025 1.00 0.00 C ATOM 0 H THR A 9 -4.497 4.402 -8.121 1.00 0.00 H new ATOM 0 HA THR A 9 -5.835 6.469 -6.626 1.00 0.00 H new ATOM 0 HB THR A 9 -5.667 3.464 -6.162 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.746 3.486 -7.242 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.743 3.780 -4.869 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.388 4.698 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.631 5.537 -5.128 1.00 0.00 H new ATOM 96 N THR A 10 -4.116 6.862 -4.864 1.00 0.00 N ATOM 97 CA THR A 10 -3.222 7.096 -3.737 1.00 0.00 C ATOM 98 C THR A 10 -3.980 7.055 -2.416 1.00 0.00 C ATOM 99 O THR A 10 -5.011 7.710 -2.260 1.00 0.00 O ATOM 100 CB THR A 10 -2.504 8.454 -3.862 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.712 8.481 -5.055 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.619 8.711 -2.653 1.00 0.00 C ATOM 0 H THR A 10 -4.567 7.702 -5.225 1.00 0.00 H new ATOM 0 HA THR A 10 -2.480 6.298 -3.752 1.00 0.00 H new ATOM 0 HB THR A 10 -3.260 9.237 -3.911 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.260 9.348 -5.128 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.123 9.675 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.230 8.719 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.869 7.924 -2.577 1.00 0.00 H new ATOM 110 N ALA A 11 -3.463 6.282 -1.466 1.00 0.00 N ATOM 111 CA ALA A 11 -4.091 6.158 -0.156 1.00 0.00 C ATOM 112 C ALA A 11 -3.101 6.477 0.959 1.00 0.00 C ATOM 113 O ALA A 11 -1.908 6.197 0.841 1.00 0.00 O ATOM 114 CB ALA A 11 -4.661 4.759 0.025 1.00 0.00 C ATOM 0 H ALA A 11 -2.611 5.732 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.906 6.880 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.127 4.680 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.407 4.567 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.858 4.026 -0.056 1.00 0.00 H new ATOM 120 N ILE A 12 -3.603 7.065 2.039 1.00 0.00 N ATOM 121 CA ILE A 12 -2.763 7.421 3.175 1.00 0.00 C ATOM 122 C ILE A 12 -3.203 6.687 4.437 1.00 0.00 C ATOM 123 O ILE A 12 -4.394 6.615 4.742 1.00 0.00 O ATOM 124 CB ILE A 12 -2.790 8.938 3.442 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.178 9.696 2.262 1.00 0.00 C ATOM 126 CG2 ILE A 12 -2.047 9.263 4.730 1.00 0.00 C ATOM 127 CD1 ILE A 12 -2.498 11.174 2.262 1.00 0.00 C ATOM 0 H ILE A 12 -4.588 7.305 2.151 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.746 7.123 2.920 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.827 9.254 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.096 9.567 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.537 9.255 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.075 10.339 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.522 8.747 5.564 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.011 8.936 4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.032 11.647 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.578 11.312 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.115 11.629 3.175 1.00 0.00 H new ATOM 139 N ILE A 13 -2.235 6.144 5.168 1.00 0.00 N ATOM 140 CA ILE A 13 -2.522 5.418 6.398 1.00 0.00 C ATOM 141 C ILE A 13 -2.069 6.208 7.621 1.00 0.00 C ATOM 142 O ILE A 13 -0.970 6.762 7.644 1.00 0.00 O ATOM 143 CB ILE A 13 -1.839 4.038 6.410 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.256 3.228 5.181 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.184 3.287 7.688 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.739 2.937 5.123 1.00 0.00 C ATOM 0 H ILE A 13 -1.245 6.194 4.929 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.602 5.279 6.438 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.759 4.183 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.965 3.772 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.709 2.285 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.694 2.313 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.842 3.860 8.550 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.264 3.149 7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.962 2.360 4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.032 2.366 6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.293 3.875 5.098 1.00 0.00 H new ATOM 158 N HIS A 14 -2.923 6.253 8.639 1.00 0.00 N ATOM 159 CA HIS A 14 -2.609 6.973 9.868 1.00 0.00 C ATOM 160 C HIS A 14 -2.067 6.023 10.932 1.00 0.00 C ATOM 161 O HIS A 14 -2.826 5.292 11.570 1.00 0.00 O ATOM 162 CB HIS A 14 -3.853 7.691 10.395 1.00 0.00 C ATOM 163 CG HIS A 14 -4.226 8.904 9.600 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.329 9.904 9.288 1.00 0.00 N ATOM 165 CD2 HIS A 14 -5.407 9.275 9.052 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.943 10.838 8.583 1.00 0.00 C ATOM 167 NE2 HIS A 14 -5.205 10.480 8.426 1.00 0.00 N ATOM 0 H HIS A 14 -3.837 5.800 8.637 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.840 7.712 9.641 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.692 6.995 10.395 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.682 7.984 11.431 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.335 8.725 9.099 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.490 11.741 8.200 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.914 11.012 7.922 1.00 0.00 H new ATOM 175 N ARG A 15 -0.751 6.037 11.116 1.00 0.00 N ATOM 176 CA ARG A 15 -0.108 5.175 12.100 1.00 0.00 C ATOM 177 C ARG A 15 0.458 5.996 13.255 1.00 0.00 C ATOM 178 O ARG A 15 1.649 6.306 13.304 1.00 0.00 O ATOM 179 CB ARG A 15 1.009 4.361 11.444 1.00 0.00 C ATOM 180 CG ARG A 15 0.513 3.391 10.384 1.00 0.00 C ATOM 181 CD ARG A 15 1.485 2.239 10.185 1.00 0.00 C ATOM 182 NE ARG A 15 1.610 1.414 11.384 1.00 0.00 N ATOM 183 CZ ARG A 15 2.514 0.451 11.523 1.00 0.00 C ATOM 184 NH1 ARG A 15 3.369 0.193 10.543 1.00 0.00 N ATOM 185 NH2 ARG A 15 2.565 -0.256 12.645 1.00 0.00 N ATOM 0 H ARG A 15 -0.109 6.636 10.596 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.861 4.493 12.496 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.728 5.044 10.991 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.541 3.803 12.214 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.462 3.000 10.675 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.376 3.920 9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.148 1.620 9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.464 2.634 9.913 1.00 0.00 H new ATOM 0 HE ARG A 15 0.968 1.587 12.157 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.334 0.735 9.679 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.062 -0.547 10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.910 -0.060 13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.260 -0.995 12.751 1.00 0.00 H new ATOM 199 N PRO A 16 -0.415 6.359 14.207 1.00 0.00 N ATOM 200 CA PRO A 16 -0.025 7.149 15.378 1.00 0.00 C ATOM 201 C PRO A 16 0.851 6.359 16.345 1.00 0.00 C ATOM 202 O PRO A 16 1.653 6.933 17.082 1.00 0.00 O ATOM 203 CB PRO A 16 -1.364 7.496 16.033 1.00 0.00 C ATOM 204 CG PRO A 16 -2.292 6.416 15.596 1.00 0.00 C ATOM 205 CD PRO A 16 -1.849 6.025 14.213 1.00 0.00 C ATOM 0 HA PRO A 16 0.569 8.020 15.102 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.277 7.527 17.119 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.719 8.476 15.713 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.248 5.565 16.275 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.324 6.766 15.591 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.015 4.965 14.022 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.393 6.576 13.446 1.00 0.00 H new ATOM 213 N HIS A 17 0.693 5.039 16.336 1.00 0.00 N ATOM 214 CA HIS A 17 1.471 4.170 17.212 1.00 0.00 C ATOM 215 C HIS A 17 2.249 3.138 16.401 1.00 0.00 C ATOM 216 O HIS A 17 1.802 2.703 15.341 1.00 0.00 O ATOM 217 CB HIS A 17 0.554 3.465 18.212 1.00 0.00 C ATOM 218 CG HIS A 17 1.209 3.179 19.528 1.00 0.00 C ATOM 219 ND1 HIS A 17 1.555 1.909 19.936 1.00 0.00 N ATOM 220 CD2 HIS A 17 1.584 4.010 20.529 1.00 0.00 C ATOM 221 CE1 HIS A 17 2.113 1.970 21.132 1.00 0.00 C ATOM 222 NE2 HIS A 17 2.142 3.234 21.514 1.00 0.00 N ATOM 0 H HIS A 17 0.034 4.548 15.732 1.00 0.00 H new ATOM 0 HA HIS A 17 2.183 4.789 17.758 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.328 4.083 18.381 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.208 2.528 17.777 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.466 5.083 20.549 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.483 1.129 21.701 1.00 0.00 H new ATOM 0 HE2 HIS A 17 2.518 3.578 22.398 1.00 0.00 H new ATOM 230 N ALA A 18 3.415 2.751 16.908 1.00 0.00 N ATOM 231 CA ALA A 18 4.254 1.769 16.232 1.00 0.00 C ATOM 232 C ALA A 18 3.879 0.350 16.644 1.00 0.00 C ATOM 233 O ALA A 18 3.912 -0.572 15.829 1.00 0.00 O ATOM 234 CB ALA A 18 5.722 2.037 16.527 1.00 0.00 C ATOM 0 H ALA A 18 3.800 3.103 17.785 1.00 0.00 H new ATOM 0 HA ALA A 18 4.088 1.863 15.159 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.337 1.296 16.016 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.988 3.034 16.176 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.895 1.973 17.601 1.00 0.00 H new ATOM 240 N ARG A 19 3.524 0.182 17.914 1.00 0.00 N ATOM 241 CA ARG A 19 3.145 -1.126 18.434 1.00 0.00 C ATOM 242 C ARG A 19 1.676 -1.421 18.148 1.00 0.00 C ATOM 243 O ARG A 19 1.021 -2.144 18.898 1.00 0.00 O ATOM 244 CB ARG A 19 3.406 -1.195 19.940 1.00 0.00 C ATOM 245 CG ARG A 19 4.852 -1.502 20.294 1.00 0.00 C ATOM 246 CD ARG A 19 5.005 -1.840 21.769 1.00 0.00 C ATOM 247 NE ARG A 19 4.710 -3.244 22.042 1.00 0.00 N ATOM 248 CZ ARG A 19 5.430 -4.252 21.563 1.00 0.00 C ATOM 249 NH1 ARG A 19 6.482 -4.013 20.791 1.00 0.00 N ATOM 250 NH2 ARG A 19 5.099 -5.504 21.856 1.00 0.00 N ATOM 0 H ARG A 19 3.491 0.935 18.601 1.00 0.00 H new ATOM 0 HA ARG A 19 3.753 -1.878 17.931 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.124 -0.245 20.393 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.764 -1.960 20.377 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.206 -2.337 19.690 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.478 -0.644 20.050 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.022 -1.614 22.089 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.339 -1.209 22.357 1.00 0.00 H new ATOM 0 HE ARG A 19 3.908 -3.462 22.633 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.740 -3.053 20.564 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.033 -4.789 20.425 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.291 -5.692 22.449 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.653 -6.277 21.488 1.00 0.00 H new ATOM 264 N GLU A 20 1.165 -0.854 17.060 1.00 0.00 N ATOM 265 CA GLU A 20 -0.227 -1.055 16.676 1.00 0.00 C ATOM 266 C GLU A 20 -0.324 -1.767 15.330 1.00 0.00 C ATOM 267 O GLU A 20 0.292 -1.350 14.350 1.00 0.00 O ATOM 268 CB GLU A 20 -0.960 0.287 16.609 1.00 0.00 C ATOM 269 CG GLU A 20 -1.431 0.792 17.962 1.00 0.00 C ATOM 270 CD GLU A 20 -2.656 0.055 18.466 1.00 0.00 C ATOM 271 OE1 GLU A 20 -3.490 -0.352 17.631 1.00 0.00 O ATOM 272 OE2 GLU A 20 -2.780 -0.115 19.697 1.00 0.00 O ATOM 0 H GLU A 20 1.694 -0.252 16.429 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.698 -1.681 17.433 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.299 1.030 16.163 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.821 0.188 15.948 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.624 0.685 18.687 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.656 1.856 17.890 1.00 0.00 H new ATOM 279 N GLN A 21 -1.100 -2.845 15.293 1.00 0.00 N ATOM 280 CA GLN A 21 -1.276 -3.617 14.068 1.00 0.00 C ATOM 281 C GLN A 21 -1.609 -2.704 12.892 1.00 0.00 C ATOM 282 O GLN A 21 -1.744 -1.491 13.054 1.00 0.00 O ATOM 283 CB GLN A 21 -2.382 -4.658 14.250 1.00 0.00 C ATOM 284 CG GLN A 21 -2.085 -5.677 15.338 1.00 0.00 C ATOM 285 CD GLN A 21 -3.337 -6.345 15.870 1.00 0.00 C ATOM 286 OE1 GLN A 21 -4.112 -5.738 16.611 1.00 0.00 O ATOM 287 NE2 GLN A 21 -3.544 -7.602 15.495 1.00 0.00 N ATOM 0 H GLN A 21 -1.617 -3.204 16.096 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.338 -4.128 13.853 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.315 -4.147 14.487 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.536 -5.181 13.306 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.412 -6.438 14.944 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.564 -5.185 16.159 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.876 -8.067 14.880 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.371 -8.102 15.822 1.00 0.00 H new ATOM 296 N LEU A 22 -1.741 -3.295 11.710 1.00 0.00 N ATOM 297 CA LEU A 22 -2.059 -2.535 10.506 1.00 0.00 C ATOM 298 C LEU A 22 -3.515 -2.738 10.102 1.00 0.00 C ATOM 299 O LEU A 22 -4.294 -1.787 10.049 1.00 0.00 O ATOM 300 CB LEU A 22 -1.136 -2.950 9.359 1.00 0.00 C ATOM 301 CG LEU A 22 0.238 -2.281 9.326 1.00 0.00 C ATOM 302 CD1 LEU A 22 1.062 -2.808 8.161 1.00 0.00 C ATOM 303 CD2 LEU A 22 0.093 -0.768 9.237 1.00 0.00 C ATOM 0 H LEU A 22 -1.633 -4.298 11.559 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.906 -1.478 10.723 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.991 -4.029 9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.643 -2.739 8.417 1.00 0.00 H new ATOM 0 HG LEU A 22 0.760 -2.523 10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.037 -2.320 8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.196 -3.884 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.545 -2.598 7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.081 -0.308 9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.449 -0.507 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.457 -0.404 10.105 1.00 0.00 H new ATOM 315 N GLY A 23 -3.877 -3.986 9.819 1.00 0.00 N ATOM 316 CA GLY A 23 -5.240 -4.292 9.426 1.00 0.00 C ATOM 317 C GLY A 23 -5.318 -4.925 8.051 1.00 0.00 C ATOM 318 O GLY A 23 -6.067 -5.879 7.840 1.00 0.00 O ATOM 0 H GLY A 23 -3.251 -4.790 9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.684 -4.966 10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.832 -3.377 9.435 1.00 0.00 H new ATOM 322 N PHE A 24 -4.543 -4.393 7.111 1.00 0.00 N ATOM 323 CA PHE A 24 -4.530 -4.910 5.748 1.00 0.00 C ATOM 324 C PHE A 24 -3.458 -5.984 5.584 1.00 0.00 C ATOM 325 O PHE A 24 -2.315 -5.804 6.004 1.00 0.00 O ATOM 326 CB PHE A 24 -4.287 -3.774 4.751 1.00 0.00 C ATOM 327 CG PHE A 24 -2.996 -3.042 4.981 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.935 -1.978 5.867 1.00 0.00 C ATOM 329 CD2 PHE A 24 -1.843 -3.417 4.311 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.749 -1.302 6.079 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.653 -2.745 4.519 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.606 -1.686 5.405 1.00 0.00 C ATOM 0 H PHE A 24 -3.916 -3.604 7.269 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.503 -5.359 5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.289 -4.182 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.113 -3.065 4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.825 -1.674 6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.874 -4.244 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.715 -0.474 6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.239 -3.047 3.990 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.322 -1.160 5.570 1.00 0.00 H new ATOM 342 N CYS A 25 -3.836 -7.100 4.971 1.00 0.00 N ATOM 343 CA CYS A 25 -2.909 -8.204 4.752 1.00 0.00 C ATOM 344 C CYS A 25 -2.327 -8.154 3.343 1.00 0.00 C ATOM 345 O CYS A 25 -3.060 -8.196 2.355 1.00 0.00 O ATOM 346 CB CYS A 25 -3.614 -9.542 4.978 1.00 0.00 C ATOM 347 SG CYS A 25 -2.517 -10.977 4.897 1.00 0.00 S ATOM 0 H CYS A 25 -4.778 -7.264 4.617 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.092 -8.107 5.467 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.100 -9.524 5.953 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.400 -9.657 4.232 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.205 -12.061 5.103 1.00 0.00 H new ATOM 353 N VAL A 26 -1.003 -8.062 3.258 1.00 0.00 N ATOM 354 CA VAL A 26 -0.322 -8.006 1.971 1.00 0.00 C ATOM 355 C VAL A 26 0.316 -9.347 1.627 1.00 0.00 C ATOM 356 O VAL A 26 0.880 -10.016 2.492 1.00 0.00 O ATOM 357 CB VAL A 26 0.765 -6.914 1.958 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.579 -6.986 0.675 1.00 0.00 C ATOM 359 CG2 VAL A 26 0.139 -5.538 2.127 1.00 0.00 C ATOM 0 H VAL A 26 -0.381 -8.025 4.066 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.078 -7.765 1.224 1.00 0.00 H new ATOM 0 HB VAL A 26 1.439 -7.086 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.342 -6.207 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.058 -7.962 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.921 -6.840 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.921 -4.779 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.559 -5.353 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.395 -5.495 3.077 1.00 0.00 H new ATOM 369 N GLU A 27 0.224 -9.733 0.358 1.00 0.00 N ATOM 370 CA GLU A 27 0.793 -10.995 -0.099 1.00 0.00 C ATOM 371 C GLU A 27 1.532 -10.811 -1.421 1.00 0.00 C ATOM 372 O GLU A 27 0.953 -10.364 -2.411 1.00 0.00 O ATOM 373 CB GLU A 27 -0.307 -12.047 -0.259 1.00 0.00 C ATOM 374 CG GLU A 27 -0.789 -12.628 1.059 1.00 0.00 C ATOM 375 CD GLU A 27 0.298 -13.387 1.795 1.00 0.00 C ATOM 376 OE1 GLU A 27 0.857 -14.339 1.211 1.00 0.00 O ATOM 377 OE2 GLU A 27 0.590 -13.028 2.955 1.00 0.00 O ATOM 0 H GLU A 27 -0.239 -9.190 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 27 1.506 -11.336 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.153 -11.599 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.064 -12.856 -0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.157 -11.822 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.630 -13.296 0.871 1.00 0.00 H new ATOM 384 N ASP A 28 2.814 -11.159 -1.429 1.00 0.00 N ATOM 385 CA ASP A 28 3.634 -11.034 -2.628 1.00 0.00 C ATOM 386 C ASP A 28 3.570 -9.614 -3.184 1.00 0.00 C ATOM 387 O ASP A 28 3.773 -9.394 -4.377 1.00 0.00 O ATOM 388 CB ASP A 28 3.175 -12.032 -3.692 1.00 0.00 C ATOM 389 CG ASP A 28 3.734 -13.422 -3.461 1.00 0.00 C ATOM 390 OD1 ASP A 28 4.934 -13.632 -3.736 1.00 0.00 O ATOM 391 OD2 ASP A 28 2.971 -14.301 -3.008 1.00 0.00 O ATOM 0 H ASP A 28 3.308 -11.530 -0.618 1.00 0.00 H new ATOM 0 HA ASP A 28 4.667 -11.253 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.086 -12.078 -3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.484 -11.678 -4.676 1.00 0.00 H new ATOM 396 N GLY A 29 3.287 -8.654 -2.309 1.00 0.00 N ATOM 397 CA GLY A 29 3.200 -7.268 -2.731 1.00 0.00 C ATOM 398 C GLY A 29 1.815 -6.897 -3.221 1.00 0.00 C ATOM 399 O GLY A 29 1.644 -5.899 -3.922 1.00 0.00 O ATOM 0 H GLY A 29 3.116 -8.811 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.473 -6.620 -1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.924 -7.087 -3.526 1.00 0.00 H new ATOM 403 N ILE A 30 0.823 -7.701 -2.853 1.00 0.00 N ATOM 404 CA ILE A 30 -0.554 -7.451 -3.260 1.00 0.00 C ATOM 405 C ILE A 30 -1.522 -7.700 -2.109 1.00 0.00 C ATOM 406 O ILE A 30 -1.580 -8.801 -1.560 1.00 0.00 O ATOM 407 CB ILE A 30 -0.957 -8.336 -4.455 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.095 -8.006 -5.676 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.432 -8.153 -4.776 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.416 -8.851 -6.888 1.00 0.00 C ATOM 0 H ILE A 30 0.947 -8.531 -2.274 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.610 -6.404 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.790 -9.380 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.228 -6.955 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.955 -8.141 -5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.701 -8.785 -5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.030 -8.433 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.623 -7.110 -5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.233 -8.563 -7.715 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.256 -9.903 -6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.457 -8.698 -7.173 1.00 0.00 H new ATOM 422 N ILE A 31 -2.281 -6.671 -1.748 1.00 0.00 N ATOM 423 CA ILE A 31 -3.249 -6.779 -0.664 1.00 0.00 C ATOM 424 C ILE A 31 -4.325 -7.810 -0.988 1.00 0.00 C ATOM 425 O ILE A 31 -4.835 -7.858 -2.108 1.00 0.00 O ATOM 426 CB ILE A 31 -3.922 -5.425 -0.373 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.868 -4.369 -0.033 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.925 -5.565 0.763 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.310 -2.954 -0.336 1.00 0.00 C ATOM 0 H ILE A 31 -2.244 -5.753 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.698 -7.099 0.220 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.457 -5.103 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.618 -4.444 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.957 -4.584 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.392 -4.600 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.691 -6.289 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.411 -5.906 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.513 -2.259 -0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.532 -2.862 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.204 -2.720 0.243 1.00 0.00 H new ATOM 441 N CYS A 32 -4.666 -8.630 -0.001 1.00 0.00 N ATOM 442 CA CYS A 32 -5.683 -9.660 -0.180 1.00 0.00 C ATOM 443 C CYS A 32 -6.858 -9.435 0.766 1.00 0.00 C ATOM 444 O CYS A 32 -8.000 -9.290 0.331 1.00 0.00 O ATOM 445 CB CYS A 32 -5.082 -11.047 0.055 1.00 0.00 C ATOM 446 SG CYS A 32 -5.904 -12.373 -0.859 1.00 0.00 S ATOM 0 H CYS A 32 -4.253 -8.602 0.931 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.049 -9.599 -1.205 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.029 -11.027 -0.224 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.125 -11.274 1.120 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.323 -13.506 -0.597 1.00 0.00 H new ATOM 452 N SER A 33 -6.569 -9.410 2.063 1.00 0.00 N ATOM 453 CA SER A 33 -7.603 -9.208 3.073 1.00 0.00 C ATOM 454 C SER A 33 -7.448 -7.847 3.744 1.00 0.00 C ATOM 455 O SER A 33 -6.356 -7.278 3.778 1.00 0.00 O ATOM 456 CB SER A 33 -7.542 -10.318 4.124 1.00 0.00 C ATOM 457 OG SER A 33 -8.748 -10.385 4.865 1.00 0.00 O ATOM 0 H SER A 33 -5.628 -9.527 2.440 1.00 0.00 H new ATOM 0 HA SER A 33 -8.573 -9.240 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.357 -11.275 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.706 -10.138 4.800 1.00 0.00 H new ATOM 0 HG SER A 33 -8.685 -11.103 5.529 1.00 0.00 H new ATOM 463 N LEU A 34 -8.549 -7.329 4.277 1.00 0.00 N ATOM 464 CA LEU A 34 -8.538 -6.034 4.948 1.00 0.00 C ATOM 465 C LEU A 34 -9.323 -6.091 6.254 1.00 0.00 C ATOM 466 O LEU A 34 -10.465 -6.552 6.286 1.00 0.00 O ATOM 467 CB LEU A 34 -9.127 -4.958 4.033 1.00 0.00 C ATOM 468 CG LEU A 34 -8.582 -3.542 4.224 1.00 0.00 C ATOM 469 CD1 LEU A 34 -9.044 -2.635 3.095 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.013 -2.982 5.572 1.00 0.00 C ATOM 0 H LEU A 34 -9.461 -7.786 4.258 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.503 -5.781 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.955 -5.255 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.206 -4.933 4.182 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.493 -3.587 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.646 -1.632 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.684 -3.026 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.133 -2.595 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.616 -1.974 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.101 -2.952 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.630 -3.619 6.370 1.00 0.00 H new ATOM 482 N LEU A 35 -8.705 -5.617 7.331 1.00 0.00 N ATOM 483 CA LEU A 35 -9.346 -5.612 8.641 1.00 0.00 C ATOM 484 C LEU A 35 -10.533 -4.653 8.663 1.00 0.00 C ATOM 485 O LEU A 35 -10.458 -3.545 8.132 1.00 0.00 O ATOM 486 CB LEU A 35 -8.338 -5.218 9.722 1.00 0.00 C ATOM 487 CG LEU A 35 -8.872 -5.179 11.155 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.730 -6.542 11.814 1.00 0.00 C ATOM 489 CD2 LEU A 35 -8.146 -4.115 11.965 1.00 0.00 C ATOM 0 H LEU A 35 -7.761 -5.231 7.322 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.712 -6.619 8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.504 -5.918 9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.939 -4.234 9.477 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.931 -4.923 11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.115 -6.495 12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.295 -7.281 11.246 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.678 -6.828 11.836 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.538 -4.101 12.982 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.080 -4.341 11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.299 -3.139 11.504 1.00 0.00 H new ATOM 501 N ARG A 36 -11.626 -5.086 9.282 1.00 0.00 N ATOM 502 CA ARG A 36 -12.827 -4.266 9.374 1.00 0.00 C ATOM 503 C ARG A 36 -12.698 -3.236 10.493 1.00 0.00 C ATOM 504 O ARG A 36 -12.208 -3.542 11.579 1.00 0.00 O ATOM 505 CB ARG A 36 -14.054 -5.147 9.617 1.00 0.00 C ATOM 506 CG ARG A 36 -15.373 -4.443 9.343 1.00 0.00 C ATOM 507 CD ARG A 36 -16.515 -5.077 10.122 1.00 0.00 C ATOM 508 NE ARG A 36 -17.793 -4.941 9.429 1.00 0.00 N ATOM 509 CZ ARG A 36 -18.075 -5.548 8.282 1.00 0.00 C ATOM 510 NH1 ARG A 36 -17.175 -6.330 7.703 1.00 0.00 N ATOM 511 NH2 ARG A 36 -19.261 -5.375 7.712 1.00 0.00 N ATOM 0 H ARG A 36 -11.704 -6.000 9.727 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.949 -3.737 8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.986 -6.032 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.044 -5.492 10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.288 -3.390 9.612 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.593 -4.482 8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.301 -6.134 10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.585 -4.612 11.105 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.508 -4.347 9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.263 -6.467 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.395 -6.795 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.957 -4.775 8.155 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.476 -5.842 6.831 1.00 0.00 H new ATOM 525 N GLY A 37 -13.142 -2.013 10.218 1.00 0.00 N ATOM 526 CA GLY A 37 -13.066 -0.957 11.210 1.00 0.00 C ATOM 527 C GLY A 37 -11.645 -0.687 11.663 1.00 0.00 C ATOM 528 O GLY A 37 -11.385 -0.537 12.856 1.00 0.00 O ATOM 0 H GLY A 37 -13.553 -1.735 9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.492 -0.043 10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.673 -1.229 12.073 1.00 0.00 H new ATOM 532 N GLY A 38 -10.722 -0.628 10.708 1.00 0.00 N ATOM 533 CA GLY A 38 -9.331 -0.377 11.036 1.00 0.00 C ATOM 534 C GLY A 38 -8.822 0.924 10.447 1.00 0.00 C ATOM 535 O GLY A 38 -9.610 1.773 10.027 1.00 0.00 O ATOM 0 H GLY A 38 -10.913 -0.750 9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.215 -0.352 12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.720 -1.202 10.669 1.00 0.00 H new ATOM 539 N ILE A 39 -7.503 1.082 10.416 1.00 0.00 N ATOM 540 CA ILE A 39 -6.891 2.289 9.875 1.00 0.00 C ATOM 541 C ILE A 39 -6.842 2.245 8.351 1.00 0.00 C ATOM 542 O ILE A 39 -7.076 3.251 7.683 1.00 0.00 O ATOM 543 CB ILE A 39 -5.464 2.489 10.418 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.415 2.169 11.913 1.00 0.00 C ATOM 545 CG2 ILE A 39 -4.994 3.913 10.160 1.00 0.00 C ATOM 546 CD1 ILE A 39 -4.045 2.357 12.526 1.00 0.00 C ATOM 0 H ILE A 39 -6.838 0.389 10.759 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.512 3.127 10.192 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.793 1.806 9.897 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.129 2.805 12.436 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.735 1.138 12.066 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.984 4.039 10.549 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.996 4.108 9.088 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.665 4.613 10.658 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.085 2.112 13.587 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.331 1.701 12.029 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.731 3.394 12.404 1.00 0.00 H new ATOM 558 N ALA A 40 -6.537 1.070 7.809 1.00 0.00 N ATOM 559 CA ALA A 40 -6.461 0.893 6.364 1.00 0.00 C ATOM 560 C ALA A 40 -7.726 1.402 5.681 1.00 0.00 C ATOM 561 O ALA A 40 -7.701 2.417 4.987 1.00 0.00 O ATOM 562 CB ALA A 40 -6.227 -0.571 6.023 1.00 0.00 C ATOM 0 H ALA A 40 -6.339 0.227 8.349 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.620 1.479 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.172 -0.688 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.291 -0.904 6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.050 -1.171 6.412 1.00 0.00 H new ATOM 568 N GLU A 41 -8.829 0.688 5.883 1.00 0.00 N ATOM 569 CA GLU A 41 -10.104 1.068 5.284 1.00 0.00 C ATOM 570 C GLU A 41 -10.323 2.575 5.381 1.00 0.00 C ATOM 571 O GLU A 41 -10.803 3.205 4.439 1.00 0.00 O ATOM 572 CB GLU A 41 -11.255 0.329 5.969 1.00 0.00 C ATOM 573 CG GLU A 41 -12.550 0.349 5.174 1.00 0.00 C ATOM 574 CD GLU A 41 -12.316 0.283 3.678 1.00 0.00 C ATOM 575 OE1 GLU A 41 -11.740 -0.722 3.210 1.00 0.00 O ATOM 576 OE2 GLU A 41 -12.711 1.236 2.974 1.00 0.00 O ATOM 0 H GLU A 41 -8.866 -0.155 6.456 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.079 0.789 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.960 -0.706 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.432 0.776 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.172 -0.493 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.104 1.257 5.412 1.00 0.00 H new ATOM 583 N ARG A 42 -9.968 3.146 6.528 1.00 0.00 N ATOM 584 CA ARG A 42 -10.127 4.578 6.749 1.00 0.00 C ATOM 585 C ARG A 42 -9.144 5.373 5.895 1.00 0.00 C ATOM 586 O ARG A 42 -9.466 6.455 5.405 1.00 0.00 O ATOM 587 CB ARG A 42 -9.920 4.913 8.228 1.00 0.00 C ATOM 588 CG ARG A 42 -11.163 4.708 9.078 1.00 0.00 C ATOM 589 CD ARG A 42 -10.922 5.115 10.524 1.00 0.00 C ATOM 590 NE ARG A 42 -10.801 6.563 10.672 1.00 0.00 N ATOM 591 CZ ARG A 42 -10.631 7.170 11.841 1.00 0.00 C ATOM 592 NH1 ARG A 42 -10.561 6.459 12.957 1.00 0.00 N ATOM 593 NH2 ARG A 42 -10.529 8.492 11.894 1.00 0.00 N ATOM 0 H ARG A 42 -9.569 2.639 7.318 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.140 4.854 6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.114 4.294 8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.597 5.951 8.315 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.987 5.292 8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.464 3.661 9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.743 4.755 11.144 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.013 4.636 10.889 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.850 7.139 9.832 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.638 5.443 12.920 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.430 6.928 13.853 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.581 9.042 11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.398 8.958 12.792 1.00 0.00 H new ATOM 607 N GLY A 43 -7.944 4.829 5.720 1.00 0.00 N ATOM 608 CA GLY A 43 -6.933 5.501 4.925 1.00 0.00 C ATOM 609 C GLY A 43 -7.260 5.495 3.445 1.00 0.00 C ATOM 610 O GLY A 43 -7.072 6.497 2.756 1.00 0.00 O ATOM 0 H GLY A 43 -7.654 3.934 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.832 6.531 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.970 5.016 5.083 1.00 0.00 H new ATOM 614 N GLY A 44 -7.751 4.361 2.954 1.00 0.00 N ATOM 615 CA GLY A 44 -8.095 4.249 1.548 1.00 0.00 C ATOM 616 C GLY A 44 -7.469 3.035 0.892 1.00 0.00 C ATOM 617 O GLY A 44 -7.088 3.081 -0.278 1.00 0.00 O ATOM 0 H GLY A 44 -7.917 3.518 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.179 4.195 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.770 5.148 1.025 1.00 0.00 H new ATOM 621 N ILE A 45 -7.360 1.947 1.647 1.00 0.00 N ATOM 622 CA ILE A 45 -6.774 0.715 1.132 1.00 0.00 C ATOM 623 C ILE A 45 -7.847 -0.207 0.563 1.00 0.00 C ATOM 624 O ILE A 45 -8.914 -0.374 1.154 1.00 0.00 O ATOM 625 CB ILE A 45 -5.993 -0.037 2.225 1.00 0.00 C ATOM 626 CG1 ILE A 45 -4.898 0.859 2.808 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.393 -1.317 1.661 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.682 0.985 1.917 1.00 0.00 C ATOM 0 H ILE A 45 -7.670 1.893 2.617 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.085 1.001 0.337 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.683 -0.304 3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.310 1.852 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.590 0.461 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.844 -1.838 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.191 -1.960 1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.714 -1.072 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.948 1.634 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.245 -0.001 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.976 1.412 0.958 1.00 0.00 H new ATOM 640 N ARG A 46 -7.555 -0.806 -0.587 1.00 0.00 N ATOM 641 CA ARG A 46 -8.494 -1.713 -1.236 1.00 0.00 C ATOM 642 C ARG A 46 -7.790 -2.985 -1.700 1.00 0.00 C ATOM 643 O ARG A 46 -6.924 -2.943 -2.574 1.00 0.00 O ATOM 644 CB ARG A 46 -9.162 -1.024 -2.427 1.00 0.00 C ATOM 645 CG ARG A 46 -10.354 -0.162 -2.042 1.00 0.00 C ATOM 646 CD ARG A 46 -11.647 -0.962 -2.050 1.00 0.00 C ATOM 647 NE ARG A 46 -12.805 -0.128 -2.360 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.135 0.243 -3.592 1.00 0.00 C ATOM 649 NH1 ARG A 46 -12.399 -0.144 -4.624 1.00 0.00 N ATOM 650 NH2 ARG A 46 -14.204 1.003 -3.793 1.00 0.00 N ATOM 0 H ARG A 46 -6.676 -0.680 -1.088 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.258 -1.986 -0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.425 -0.403 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.488 -1.782 -3.139 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.193 0.261 -1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.438 0.675 -2.736 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.572 -1.765 -2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.789 -1.432 -1.077 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.393 0.187 -1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.577 -0.728 -4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.655 0.142 -5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.773 1.303 -3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.457 1.288 -4.739 1.00 0.00 H new ATOM 664 N VAL A 47 -8.167 -4.114 -1.109 1.00 0.00 N ATOM 665 CA VAL A 47 -7.572 -5.397 -1.462 1.00 0.00 C ATOM 666 C VAL A 47 -7.687 -5.663 -2.959 1.00 0.00 C ATOM 667 O VAL A 47 -8.615 -5.190 -3.614 1.00 0.00 O ATOM 668 CB VAL A 47 -8.236 -6.554 -0.693 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.114 -6.339 0.807 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.695 -6.697 -1.102 1.00 0.00 C ATOM 0 H VAL A 47 -8.882 -4.166 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.519 -5.344 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.718 -7.479 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.589 -7.167 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.061 -6.290 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.605 -5.405 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.149 -7.519 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.228 -5.772 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.755 -6.902 -2.171 1.00 0.00 H new ATOM 680 N GLY A 48 -6.738 -6.425 -3.494 1.00 0.00 N ATOM 681 CA GLY A 48 -6.751 -6.742 -4.910 1.00 0.00 C ATOM 682 C GLY A 48 -5.879 -5.805 -5.722 1.00 0.00 C ATOM 683 O GLY A 48 -5.477 -6.131 -6.840 1.00 0.00 O ATOM 0 H GLY A 48 -5.960 -6.829 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.409 -7.767 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.775 -6.693 -5.281 1.00 0.00 H new ATOM 687 N HIS A 49 -5.586 -4.636 -5.161 1.00 0.00 N ATOM 688 CA HIS A 49 -4.757 -3.648 -5.841 1.00 0.00 C ATOM 689 C HIS A 49 -3.275 -3.940 -5.624 1.00 0.00 C ATOM 690 O HIS A 49 -2.843 -4.204 -4.502 1.00 0.00 O ATOM 691 CB HIS A 49 -5.089 -2.241 -5.343 1.00 0.00 C ATOM 692 CG HIS A 49 -6.340 -1.674 -5.941 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.490 -0.337 -6.245 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.502 -2.271 -6.294 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.691 -0.136 -6.756 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.325 -1.294 -6.798 1.00 0.00 N ATOM 0 H HIS A 49 -5.911 -4.350 -4.237 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.969 -3.707 -6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.192 -2.263 -4.258 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.254 -1.578 -5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.738 -3.320 -6.197 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.087 0.814 -7.084 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.272 -1.439 -7.148 1.00 0.00 H new ATOM 704 N ARG A 50 -2.503 -3.892 -6.704 1.00 0.00 N ATOM 705 CA ARG A 50 -1.070 -4.154 -6.631 1.00 0.00 C ATOM 706 C ARG A 50 -0.303 -2.885 -6.270 1.00 0.00 C ATOM 707 O ARG A 50 -0.506 -1.832 -6.875 1.00 0.00 O ATOM 708 CB ARG A 50 -0.563 -4.707 -7.964 1.00 0.00 C ATOM 709 CG ARG A 50 0.953 -4.739 -8.073 1.00 0.00 C ATOM 710 CD ARG A 50 1.544 -5.889 -7.271 1.00 0.00 C ATOM 711 NE ARG A 50 2.957 -6.098 -7.576 1.00 0.00 N ATOM 712 CZ ARG A 50 3.393 -6.634 -8.710 1.00 0.00 C ATOM 713 NH1 ARG A 50 2.530 -7.012 -9.643 1.00 0.00 N ATOM 714 NH2 ARG A 50 4.694 -6.793 -8.914 1.00 0.00 N ATOM 0 H ARG A 50 -2.845 -3.674 -7.640 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.901 -4.895 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.950 -5.717 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.964 -4.100 -8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.242 -4.837 -9.119 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.365 -3.795 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.429 -5.686 -6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.988 -6.802 -7.483 1.00 0.00 H new ATOM 0 HE ARG A 50 3.647 -5.817 -6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.529 -6.891 -9.491 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.867 -7.423 -10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.361 -6.503 -8.199 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.027 -7.205 -9.786 1.00 0.00 H new ATOM 728 N ILE A 51 0.576 -2.993 -5.280 1.00 0.00 N ATOM 729 CA ILE A 51 1.373 -1.856 -4.838 1.00 0.00 C ATOM 730 C ILE A 51 2.538 -1.599 -5.788 1.00 0.00 C ATOM 731 O ILE A 51 3.199 -2.534 -6.241 1.00 0.00 O ATOM 732 CB ILE A 51 1.922 -2.071 -3.416 1.00 0.00 C ATOM 733 CG1 ILE A 51 0.816 -2.583 -2.490 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.515 -0.778 -2.876 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.420 -1.711 -2.486 1.00 0.00 C ATOM 0 H ILE A 51 0.754 -3.857 -4.768 1.00 0.00 H new ATOM 0 HA ILE A 51 0.712 -0.990 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 51 2.712 -2.821 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.538 -3.592 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.206 -2.651 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.899 -0.946 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.328 -0.452 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.744 -0.009 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.162 -2.134 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.156 -0.707 -2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.835 -1.663 -3.493 1.00 0.00 H new ATOM 747 N ILE A 52 2.785 -0.327 -6.082 1.00 0.00 N ATOM 748 CA ILE A 52 3.873 0.052 -6.975 1.00 0.00 C ATOM 749 C ILE A 52 4.835 1.017 -6.291 1.00 0.00 C ATOM 750 O ILE A 52 5.934 1.267 -6.784 1.00 0.00 O ATOM 751 CB ILE A 52 3.341 0.704 -8.265 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.503 1.940 -7.930 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.522 -0.297 -9.066 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.127 2.762 -9.143 1.00 0.00 C ATOM 0 H ILE A 52 2.247 0.458 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 52 4.404 -0.865 -7.233 1.00 0.00 H new ATOM 0 HB ILE A 52 4.190 1.018 -8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.593 1.625 -7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.059 2.568 -7.234 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.153 0.179 -9.975 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.147 -1.149 -9.331 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.678 -0.639 -8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.534 3.622 -8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.032 3.108 -9.643 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.544 2.150 -9.831 1.00 0.00 H new ATOM 766 N GLU A 53 4.414 1.554 -5.150 1.00 0.00 N ATOM 767 CA GLU A 53 5.240 2.491 -4.397 1.00 0.00 C ATOM 768 C GLU A 53 4.705 2.670 -2.979 1.00 0.00 C ATOM 769 O GLU A 53 3.499 2.589 -2.745 1.00 0.00 O ATOM 770 CB GLU A 53 5.293 3.845 -5.108 1.00 0.00 C ATOM 771 CG GLU A 53 6.560 4.633 -4.824 1.00 0.00 C ATOM 772 CD GLU A 53 6.645 5.913 -5.633 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.948 6.886 -5.276 1.00 0.00 O ATOM 774 OE2 GLU A 53 7.407 5.942 -6.621 1.00 0.00 O ATOM 0 H GLU A 53 3.507 1.357 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 53 6.248 2.080 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.208 3.685 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.431 4.439 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.602 4.875 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.427 4.011 -5.044 1.00 0.00 H new ATOM 781 N ILE A 54 5.611 2.912 -2.038 1.00 0.00 N ATOM 782 CA ILE A 54 5.230 3.103 -0.643 1.00 0.00 C ATOM 783 C ILE A 54 6.151 4.105 0.045 1.00 0.00 C ATOM 784 O ILE A 54 7.373 4.022 -0.071 1.00 0.00 O ATOM 785 CB ILE A 54 5.262 1.775 0.135 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.706 1.365 0.431 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.546 0.684 -0.648 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.233 1.910 1.740 1.00 0.00 C ATOM 0 H ILE A 54 6.613 2.981 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 54 4.211 3.490 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 54 4.743 1.915 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.770 0.277 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.347 1.710 -0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.577 -0.249 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.508 0.975 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.039 0.543 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.262 1.579 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.202 2.999 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.616 1.545 2.561 1.00 0.00 H new ATOM 800 N ASN A 55 5.555 5.050 0.765 1.00 0.00 N ATOM 801 CA ASN A 55 6.321 6.068 1.474 1.00 0.00 C ATOM 802 C ASN A 55 7.353 6.713 0.553 1.00 0.00 C ATOM 803 O ASN A 55 8.399 7.177 1.004 1.00 0.00 O ATOM 804 CB ASN A 55 7.019 5.456 2.690 1.00 0.00 C ATOM 805 CG ASN A 55 6.035 4.958 3.731 1.00 0.00 C ATOM 806 OD1 ASN A 55 5.935 3.757 3.982 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.303 5.882 4.343 1.00 0.00 N ATOM 0 H ASN A 55 4.544 5.132 0.873 1.00 0.00 H new ATOM 0 HA ASN A 55 5.628 6.839 1.811 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.650 4.629 2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.676 6.200 3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.624 5.607 5.053 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.420 6.866 4.103 1.00 0.00 H new ATOM 814 N GLY A 56 7.049 6.739 -0.741 1.00 0.00 N ATOM 815 CA GLY A 56 7.958 7.329 -1.705 1.00 0.00 C ATOM 816 C GLY A 56 9.095 6.397 -2.076 1.00 0.00 C ATOM 817 O GLY A 56 10.238 6.829 -2.220 1.00 0.00 O ATOM 0 H GLY A 56 6.189 6.362 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.404 7.598 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.368 8.252 -1.295 1.00 0.00 H new ATOM 821 N GLN A 57 8.781 5.114 -2.228 1.00 0.00 N ATOM 822 CA GLN A 57 9.786 4.119 -2.581 1.00 0.00 C ATOM 823 C GLN A 57 9.209 3.077 -3.534 1.00 0.00 C ATOM 824 O GLN A 57 8.178 2.466 -3.251 1.00 0.00 O ATOM 825 CB GLN A 57 10.322 3.435 -1.322 1.00 0.00 C ATOM 826 CG GLN A 57 11.007 4.389 -0.357 1.00 0.00 C ATOM 827 CD GLN A 57 12.448 4.668 -0.736 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.746 5.658 -1.406 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.353 3.795 -0.309 1.00 0.00 N ATOM 0 H GLN A 57 7.839 4.740 -2.112 1.00 0.00 H new ATOM 0 HA GLN A 57 10.606 4.631 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.498 2.941 -0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 57 11.028 2.657 -1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.455 5.328 -0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.975 3.968 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.063 2.988 0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.339 3.931 -0.534 1.00 0.00 H new ATOM 838 N SER A 58 9.881 2.879 -4.664 1.00 0.00 N ATOM 839 CA SER A 58 9.432 1.913 -5.660 1.00 0.00 C ATOM 840 C SER A 58 9.547 0.488 -5.126 1.00 0.00 C ATOM 841 O SER A 58 10.645 -0.002 -4.863 1.00 0.00 O ATOM 842 CB SER A 58 10.251 2.056 -6.944 1.00 0.00 C ATOM 843 OG SER A 58 11.632 1.863 -6.693 1.00 0.00 O ATOM 0 H SER A 58 10.737 3.374 -4.912 1.00 0.00 H new ATOM 0 HA SER A 58 8.384 2.116 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.907 1.330 -7.681 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.091 3.045 -7.373 1.00 0.00 H new ATOM 0 HG SER A 58 11.745 1.227 -5.956 1.00 0.00 H new ATOM 849 N VAL A 59 8.404 -0.172 -4.968 1.00 0.00 N ATOM 850 CA VAL A 59 8.374 -1.540 -4.467 1.00 0.00 C ATOM 851 C VAL A 59 8.048 -2.527 -5.582 1.00 0.00 C ATOM 852 O VAL A 59 8.076 -3.741 -5.379 1.00 0.00 O ATOM 853 CB VAL A 59 7.341 -1.701 -3.335 1.00 0.00 C ATOM 854 CG1 VAL A 59 7.824 -1.011 -2.069 1.00 0.00 C ATOM 855 CG2 VAL A 59 5.989 -1.155 -3.767 1.00 0.00 C ATOM 0 H VAL A 59 7.486 0.219 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 59 9.368 -1.755 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 59 7.226 -2.763 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.081 -1.135 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.768 -1.453 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.969 0.051 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.271 -1.277 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.085 -0.097 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.640 -1.699 -4.645 1.00 0.00 H new ATOM 865 N VAL A 60 7.740 -1.998 -6.762 1.00 0.00 N ATOM 866 CA VAL A 60 7.410 -2.832 -7.911 1.00 0.00 C ATOM 867 C VAL A 60 8.499 -3.867 -8.170 1.00 0.00 C ATOM 868 O VAL A 60 8.226 -4.957 -8.672 1.00 0.00 O ATOM 869 CB VAL A 60 7.210 -1.984 -9.181 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.409 -1.076 -9.411 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.971 -2.880 -10.387 1.00 0.00 C ATOM 0 H VAL A 60 7.712 -0.995 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 60 6.477 -3.343 -7.674 1.00 0.00 H new ATOM 0 HB VAL A 60 6.330 -1.356 -9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.250 -0.485 -10.313 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.530 -0.410 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.307 -1.682 -9.529 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.832 -2.264 -11.276 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.831 -3.535 -10.530 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.079 -3.484 -10.220 1.00 0.00 H new ATOM 881 N ALA A 61 9.733 -3.518 -7.822 1.00 0.00 N ATOM 882 CA ALA A 61 10.864 -4.418 -8.015 1.00 0.00 C ATOM 883 C ALA A 61 11.495 -4.799 -6.680 1.00 0.00 C ATOM 884 O ALA A 61 12.675 -5.148 -6.616 1.00 0.00 O ATOM 885 CB ALA A 61 11.899 -3.777 -8.927 1.00 0.00 C ATOM 0 H ALA A 61 9.975 -2.619 -7.405 1.00 0.00 H new ATOM 0 HA ALA A 61 10.496 -5.329 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.738 -4.460 -9.062 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.447 -3.561 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.255 -2.850 -8.478 1.00 0.00 H new ATOM 891 N THR A 62 10.704 -4.728 -5.614 1.00 0.00 N ATOM 892 CA THR A 62 11.186 -5.064 -4.280 1.00 0.00 C ATOM 893 C THR A 62 10.421 -6.248 -3.701 1.00 0.00 C ATOM 894 O THR A 62 9.203 -6.361 -3.843 1.00 0.00 O ATOM 895 CB THR A 62 11.060 -3.866 -3.320 1.00 0.00 C ATOM 896 OG1 THR A 62 11.876 -2.782 -3.778 1.00 0.00 O ATOM 897 CG2 THR A 62 11.474 -4.258 -1.909 1.00 0.00 C ATOM 0 H THR A 62 9.726 -4.441 -5.649 1.00 0.00 H new ATOM 0 HA THR A 62 12.238 -5.330 -4.381 1.00 0.00 H new ATOM 0 HB THR A 62 10.017 -3.552 -3.302 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.789 -2.024 -3.163 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.377 -3.396 -1.249 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.832 -5.063 -1.552 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.510 -4.596 -1.914 1.00 0.00 H new ATOM 905 N PRO A 63 11.150 -7.153 -3.030 1.00 0.00 N ATOM 906 CA PRO A 63 10.559 -8.345 -2.414 1.00 0.00 C ATOM 907 C PRO A 63 9.691 -8.004 -1.207 1.00 0.00 C ATOM 908 O PRO A 63 9.952 -7.033 -0.497 1.00 0.00 O ATOM 909 CB PRO A 63 11.779 -9.162 -1.982 1.00 0.00 C ATOM 910 CG PRO A 63 12.864 -8.157 -1.802 1.00 0.00 C ATOM 911 CD PRO A 63 12.605 -7.082 -2.821 1.00 0.00 C ATOM 0 HA PRO A 63 9.896 -8.873 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.585 -9.705 -1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.047 -9.903 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.853 -7.748 -0.792 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.844 -8.610 -1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.911 -6.101 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.153 -7.264 -3.745 1.00 0.00 H new ATOM 919 N HIS A 64 8.659 -8.810 -0.980 1.00 0.00 N ATOM 920 CA HIS A 64 7.753 -8.595 0.142 1.00 0.00 C ATOM 921 C HIS A 64 8.532 -8.303 1.421 1.00 0.00 C ATOM 922 O HIS A 64 8.308 -7.287 2.079 1.00 0.00 O ATOM 923 CB HIS A 64 6.857 -9.817 0.344 1.00 0.00 C ATOM 924 CG HIS A 64 5.865 -9.655 1.454 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.552 -9.290 1.242 1.00 0.00 N ATOM 926 CD2 HIS A 64 5.999 -9.813 2.792 1.00 0.00 C ATOM 927 CE1 HIS A 64 3.922 -9.228 2.402 1.00 0.00 C ATOM 928 NE2 HIS A 64 4.777 -9.542 3.358 1.00 0.00 N ATOM 0 H HIS A 64 8.429 -9.618 -1.558 1.00 0.00 H new ATOM 0 HA HIS A 64 7.129 -7.731 -0.088 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.322 -10.022 -0.583 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.482 -10.686 0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.899 -10.099 3.316 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.884 -8.965 2.544 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.565 -9.578 4.355 1.00 0.00 H new ATOM 936 N ALA A 65 9.448 -9.202 1.768 1.00 0.00 N ATOM 937 CA ALA A 65 10.261 -9.040 2.967 1.00 0.00 C ATOM 938 C ALA A 65 10.593 -7.572 3.212 1.00 0.00 C ATOM 939 O ALA A 65 10.303 -7.029 4.278 1.00 0.00 O ATOM 940 CB ALA A 65 11.538 -9.861 2.854 1.00 0.00 C ATOM 0 H ALA A 65 9.645 -10.049 1.236 1.00 0.00 H new ATOM 0 HA ALA A 65 9.684 -9.401 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.135 -9.731 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.284 -10.914 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.110 -9.527 1.989 1.00 0.00 H new ATOM 946 N ARG A 66 11.205 -6.935 2.218 1.00 0.00 N ATOM 947 CA ARG A 66 11.578 -5.530 2.326 1.00 0.00 C ATOM 948 C ARG A 66 10.340 -4.646 2.437 1.00 0.00 C ATOM 949 O ARG A 66 10.255 -3.786 3.314 1.00 0.00 O ATOM 950 CB ARG A 66 12.414 -5.108 1.117 1.00 0.00 C ATOM 951 CG ARG A 66 12.660 -3.610 1.040 1.00 0.00 C ATOM 952 CD ARG A 66 13.544 -3.131 2.180 1.00 0.00 C ATOM 953 NE ARG A 66 14.345 -1.970 1.801 1.00 0.00 N ATOM 954 CZ ARG A 66 15.474 -2.051 1.105 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.932 -3.232 0.714 1.00 0.00 N ATOM 956 NH2 ARG A 66 16.146 -0.949 0.799 1.00 0.00 N ATOM 0 H ARG A 66 11.453 -7.370 1.329 1.00 0.00 H new ATOM 0 HA ARG A 66 12.173 -5.406 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.374 -5.624 1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.910 -5.432 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.129 -3.366 0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.707 -3.082 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.922 -2.878 3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.204 -3.941 2.492 1.00 0.00 H new ATOM 0 HE ARG A 66 14.020 -1.046 2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.417 -4.081 0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.799 -3.291 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.796 -0.039 1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.013 -1.012 0.265 1.00 0.00 H new ATOM 970 N ILE A 67 9.383 -4.862 1.541 1.00 0.00 N ATOM 971 CA ILE A 67 8.150 -4.085 1.538 1.00 0.00 C ATOM 972 C ILE A 67 7.586 -3.943 2.948 1.00 0.00 C ATOM 973 O ILE A 67 7.156 -2.861 3.350 1.00 0.00 O ATOM 974 CB ILE A 67 7.082 -4.726 0.632 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.600 -4.838 -0.803 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.795 -3.916 0.675 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.680 -5.616 -1.718 1.00 0.00 C ATOM 0 H ILE A 67 9.438 -5.569 0.808 1.00 0.00 H new ATOM 0 HA ILE A 67 8.400 -3.098 1.148 1.00 0.00 H new ATOM 0 HB ILE A 67 6.869 -5.729 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.741 -3.836 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.579 -5.318 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.050 -4.382 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.420 -3.883 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.992 -2.902 0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.110 -5.655 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.558 -6.629 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.708 -5.125 -1.760 1.00 0.00 H new ATOM 989 N ILE A 68 7.593 -5.042 3.695 1.00 0.00 N ATOM 990 CA ILE A 68 7.085 -5.040 5.061 1.00 0.00 C ATOM 991 C ILE A 68 7.946 -4.165 5.966 1.00 0.00 C ATOM 992 O ILE A 68 7.430 -3.371 6.751 1.00 0.00 O ATOM 993 CB ILE A 68 7.030 -6.464 5.644 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.272 -7.397 4.696 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.375 -6.450 7.017 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.827 -7.002 4.486 1.00 0.00 C ATOM 0 H ILE A 68 7.945 -5.945 3.377 1.00 0.00 H new ATOM 0 HA ILE A 68 6.074 -4.634 5.021 1.00 0.00 H new ATOM 0 HB ILE A 68 8.049 -6.836 5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.780 -7.412 3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.309 -8.412 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.344 -7.464 7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.951 -5.814 7.689 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.360 -6.062 6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.353 -7.707 3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.304 -7.014 5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.782 -5.999 4.061 1.00 0.00 H new ATOM 1008 N GLU A 69 9.261 -4.317 5.848 1.00 0.00 N ATOM 1009 CA GLU A 69 10.194 -3.539 6.656 1.00 0.00 C ATOM 1010 C GLU A 69 10.016 -2.045 6.406 1.00 0.00 C ATOM 1011 O GLU A 69 10.039 -1.240 7.338 1.00 0.00 O ATOM 1012 CB GLU A 69 11.636 -3.951 6.348 1.00 0.00 C ATOM 1013 CG GLU A 69 12.123 -5.127 7.177 1.00 0.00 C ATOM 1014 CD GLU A 69 13.635 -5.239 7.197 1.00 0.00 C ATOM 1015 OE1 GLU A 69 14.285 -4.378 7.828 1.00 0.00 O ATOM 1016 OE2 GLU A 69 14.169 -6.186 6.583 1.00 0.00 O ATOM 0 H GLU A 69 9.704 -4.970 5.202 1.00 0.00 H new ATOM 0 HA GLU A 69 9.982 -3.741 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.714 -4.205 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.293 -3.099 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.756 -5.024 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.699 -6.049 6.778 1.00 0.00 H new ATOM 1023 N LEU A 70 9.839 -1.680 5.141 1.00 0.00 N ATOM 1024 CA LEU A 70 9.657 -0.281 4.766 1.00 0.00 C ATOM 1025 C LEU A 70 8.354 0.270 5.336 1.00 0.00 C ATOM 1026 O LEU A 70 8.365 1.151 6.197 1.00 0.00 O ATOM 1027 CB LEU A 70 9.662 -0.136 3.243 1.00 0.00 C ATOM 1028 CG LEU A 70 11.036 -0.163 2.571 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.894 -0.412 1.078 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.780 1.139 2.828 1.00 0.00 C ATOM 0 H LEU A 70 9.818 -2.333 4.357 1.00 0.00 H new ATOM 0 HA LEU A 70 10.486 0.292 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.057 -0.938 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.172 0.803 2.986 1.00 0.00 H new ATOM 0 HG LEU A 70 11.615 -0.980 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.881 -0.428 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.401 -1.370 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.298 0.384 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.755 1.103 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.205 1.972 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.913 1.276 3.901 1.00 0.00 H new ATOM 1042 N LEU A 71 7.234 -0.255 4.853 1.00 0.00 N ATOM 1043 CA LEU A 71 5.922 0.182 5.316 1.00 0.00 C ATOM 1044 C LEU A 71 5.905 0.342 6.833 1.00 0.00 C ATOM 1045 O LEU A 71 5.453 1.361 7.357 1.00 0.00 O ATOM 1046 CB LEU A 71 4.847 -0.818 4.886 1.00 0.00 C ATOM 1047 CG LEU A 71 4.216 -0.576 3.514 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.398 -1.783 3.082 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.352 0.676 3.538 1.00 0.00 C ATOM 0 H LEU A 71 7.208 -0.984 4.140 1.00 0.00 H new ATOM 0 HA LEU A 71 5.710 1.151 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.285 -1.816 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.054 -0.813 5.634 1.00 0.00 H new ATOM 0 HG LEU A 71 5.016 -0.427 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.957 -1.592 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.044 -2.659 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.606 -1.964 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.911 0.833 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.559 0.557 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.966 1.537 3.802 1.00 0.00 H new ATOM 1061 N THR A 72 6.402 -0.671 7.536 1.00 0.00 N ATOM 1062 CA THR A 72 6.446 -0.643 8.992 1.00 0.00 C ATOM 1063 C THR A 72 7.317 0.503 9.494 1.00 0.00 C ATOM 1064 O THR A 72 6.932 1.231 10.408 1.00 0.00 O ATOM 1065 CB THR A 72 6.982 -1.969 9.564 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.140 -3.054 9.158 1.00 0.00 O ATOM 1067 CG2 THR A 72 7.052 -1.915 11.082 1.00 0.00 C ATOM 0 H THR A 72 6.780 -1.522 7.119 1.00 0.00 H new ATOM 0 HA THR A 72 5.422 -0.495 9.336 1.00 0.00 H new ATOM 0 HB THR A 72 7.988 -2.126 9.176 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.423 -3.376 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.433 -2.863 11.463 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.717 -1.107 11.387 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.056 -1.736 11.486 1.00 0.00 H new ATOM 1075 N GLU A 73 8.491 0.656 8.890 1.00 0.00 N ATOM 1076 CA GLU A 73 9.416 1.715 9.278 1.00 0.00 C ATOM 1077 C GLU A 73 8.741 3.082 9.201 1.00 0.00 C ATOM 1078 O GLU A 73 9.064 3.989 9.967 1.00 0.00 O ATOM 1079 CB GLU A 73 10.654 1.695 8.380 1.00 0.00 C ATOM 1080 CG GLU A 73 11.726 0.722 8.843 1.00 0.00 C ATOM 1081 CD GLU A 73 12.654 0.298 7.721 1.00 0.00 C ATOM 1082 OE1 GLU A 73 13.056 1.171 6.923 1.00 0.00 O ATOM 1083 OE2 GLU A 73 12.977 -0.905 7.640 1.00 0.00 O ATOM 0 H GLU A 73 8.824 0.061 8.131 1.00 0.00 H new ATOM 0 HA GLU A 73 9.721 1.536 10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.352 1.435 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.079 2.698 8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.311 1.184 9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.250 -0.161 9.269 1.00 0.00 H new ATOM 1090 N ALA A 74 7.803 3.221 8.270 1.00 0.00 N ATOM 1091 CA ALA A 74 7.082 4.475 8.093 1.00 0.00 C ATOM 1092 C ALA A 74 5.925 4.587 9.081 1.00 0.00 C ATOM 1093 O ALA A 74 5.046 3.726 9.122 1.00 0.00 O ATOM 1094 CB ALA A 74 6.572 4.594 6.665 1.00 0.00 C ATOM 0 H ALA A 74 7.525 2.480 7.627 1.00 0.00 H new ATOM 0 HA ALA A 74 7.774 5.294 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.035 5.536 6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.415 4.568 5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.900 3.764 6.448 1.00 0.00 H new ATOM 1100 N TYR A 75 5.932 5.652 9.874 1.00 0.00 N ATOM 1101 CA TYR A 75 4.884 5.875 10.864 1.00 0.00 C ATOM 1102 C TYR A 75 4.165 7.195 10.608 1.00 0.00 C ATOM 1103 O TYR A 75 4.637 8.035 9.843 1.00 0.00 O ATOM 1104 CB TYR A 75 5.477 5.869 12.274 1.00 0.00 C ATOM 1105 CG TYR A 75 6.272 4.623 12.592 1.00 0.00 C ATOM 1106 CD1 TYR A 75 7.610 4.518 12.234 1.00 0.00 C ATOM 1107 CD2 TYR A 75 5.685 3.550 13.251 1.00 0.00 C ATOM 1108 CE1 TYR A 75 8.340 3.381 12.521 1.00 0.00 C ATOM 1109 CE2 TYR A 75 6.407 2.409 13.544 1.00 0.00 C ATOM 1110 CZ TYR A 75 7.735 2.330 13.177 1.00 0.00 C ATOM 1111 OH TYR A 75 8.459 1.196 13.466 1.00 0.00 O ATOM 0 H TYR A 75 6.651 6.375 9.851 1.00 0.00 H new ATOM 0 HA TYR A 75 4.159 5.065 10.778 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.121 6.740 12.392 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.669 5.969 12.999 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.088 5.340 11.722 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.646 3.609 13.539 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.379 3.316 12.233 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.935 1.584 14.057 1.00 0.00 H new ATOM 0 HH TYR A 75 7.886 0.552 13.931 1.00 0.00 H new ATOM 1121 N GLY A 76 3.017 7.371 11.255 1.00 0.00 N ATOM 1122 CA GLY A 76 2.249 8.591 11.086 1.00 0.00 C ATOM 1123 C GLY A 76 1.570 8.666 9.733 1.00 0.00 C ATOM 1124 O GLY A 76 0.585 7.971 9.487 1.00 0.00 O ATOM 0 H GLY A 76 2.605 6.690 11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.496 8.654 11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.908 9.451 11.207 1.00 0.00 H new ATOM 1128 N GLU A 77 2.097 9.513 8.854 1.00 0.00 N ATOM 1129 CA GLU A 77 1.532 9.677 7.520 1.00 0.00 C ATOM 1130 C GLU A 77 2.262 8.798 6.508 1.00 0.00 C ATOM 1131 O GLU A 77 3.348 9.141 6.040 1.00 0.00 O ATOM 1132 CB GLU A 77 1.608 11.143 7.087 1.00 0.00 C ATOM 1133 CG GLU A 77 0.670 11.489 5.943 1.00 0.00 C ATOM 1134 CD GLU A 77 1.018 12.808 5.281 1.00 0.00 C ATOM 1135 OE1 GLU A 77 2.165 12.952 4.811 1.00 0.00 O ATOM 1136 OE2 GLU A 77 0.142 13.697 5.234 1.00 0.00 O ATOM 0 H GLU A 77 2.913 10.095 9.042 1.00 0.00 H new ATOM 0 HA GLU A 77 0.487 9.369 7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.375 11.778 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.631 11.373 6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.702 10.694 5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.353 11.534 6.318 1.00 0.00 H new ATOM 1143 N VAL A 78 1.658 7.661 6.176 1.00 0.00 N ATOM 1144 CA VAL A 78 2.249 6.732 5.221 1.00 0.00 C ATOM 1145 C VAL A 78 1.541 6.807 3.872 1.00 0.00 C ATOM 1146 O VAL A 78 0.350 6.512 3.767 1.00 0.00 O ATOM 1147 CB VAL A 78 2.191 5.283 5.738 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.759 4.323 4.703 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.938 5.159 7.058 1.00 0.00 C ATOM 0 H VAL A 78 0.760 7.362 6.555 1.00 0.00 H new ATOM 0 HA VAL A 78 3.292 7.025 5.098 1.00 0.00 H new ATOM 0 HB VAL A 78 1.148 5.018 5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.710 3.304 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.178 4.394 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.797 4.583 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.887 4.128 7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.981 5.442 6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.482 5.817 7.797 1.00 0.00 H new ATOM 1159 N HIS A 79 2.283 7.203 2.842 1.00 0.00 N ATOM 1160 CA HIS A 79 1.726 7.316 1.499 1.00 0.00 C ATOM 1161 C HIS A 79 1.883 6.005 0.734 1.00 0.00 C ATOM 1162 O HIS A 79 2.970 5.681 0.255 1.00 0.00 O ATOM 1163 CB HIS A 79 2.410 8.450 0.734 1.00 0.00 C ATOM 1164 CG HIS A 79 1.806 9.796 0.995 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.260 10.581 0.001 1.00 0.00 N ATOM 1166 CD2 HIS A 79 1.663 10.495 2.145 1.00 0.00 C ATOM 1167 CE1 HIS A 79 0.809 11.705 0.529 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.041 11.677 1.829 1.00 0.00 N ATOM 0 H HIS A 79 3.270 7.451 2.912 1.00 0.00 H new ATOM 0 HA HIS A 79 0.663 7.539 1.591 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.466 8.475 1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.360 8.239 -0.334 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.980 10.181 3.129 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.332 12.510 -0.011 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.797 12.414 2.491 1.00 0.00 H new ATOM 1176 N ILE A 80 0.792 5.255 0.625 1.00 0.00 N ATOM 1177 CA ILE A 80 0.809 3.980 -0.082 1.00 0.00 C ATOM 1178 C ILE A 80 0.165 4.105 -1.458 1.00 0.00 C ATOM 1179 O ILE A 80 -1.046 4.299 -1.574 1.00 0.00 O ATOM 1180 CB ILE A 80 0.078 2.884 0.717 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.814 2.601 2.028 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.042 1.615 -0.114 1.00 0.00 C ATOM 1183 CD1 ILE A 80 0.004 1.788 3.013 1.00 0.00 C ATOM 0 H ILE A 80 -0.115 5.508 1.017 1.00 0.00 H new ATOM 0 HA ILE A 80 1.855 3.698 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.926 3.236 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.741 2.071 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.090 3.548 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.561 0.850 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.605 1.827 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.953 1.258 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.589 1.626 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.911 2.325 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.250 0.826 2.568 1.00 0.00 H new ATOM 1195 N LYS A 81 0.982 3.992 -2.500 1.00 0.00 N ATOM 1196 CA LYS A 81 0.493 4.090 -3.870 1.00 0.00 C ATOM 1197 C LYS A 81 0.003 2.735 -4.371 1.00 0.00 C ATOM 1198 O LYS A 81 0.800 1.841 -4.657 1.00 0.00 O ATOM 1199 CB LYS A 81 1.596 4.617 -4.791 1.00 0.00 C ATOM 1200 CG LYS A 81 1.091 5.061 -6.153 1.00 0.00 C ATOM 1201 CD LYS A 81 1.986 6.130 -6.758 1.00 0.00 C ATOM 1202 CE LYS A 81 1.747 7.487 -6.114 1.00 0.00 C ATOM 1203 NZ LYS A 81 2.808 8.467 -6.477 1.00 0.00 N ATOM 0 H LYS A 81 1.986 3.832 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.345 4.787 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.093 5.457 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.347 3.839 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.045 4.202 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.076 5.446 -6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.031 5.845 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.801 6.197 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.776 7.871 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.712 7.374 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.610 9.379 -6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.732 8.113 -6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.824 8.594 -7.509 1.00 0.00 H new ATOM 1217 N THR A 82 -1.315 2.588 -4.475 1.00 0.00 N ATOM 1218 CA THR A 82 -1.911 1.343 -4.941 1.00 0.00 C ATOM 1219 C THR A 82 -2.268 1.424 -6.421 1.00 0.00 C ATOM 1220 O THR A 82 -2.563 2.501 -6.939 1.00 0.00 O ATOM 1221 CB THR A 82 -3.176 0.990 -4.137 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.175 1.999 -4.329 1.00 0.00 O ATOM 1223 CG2 THR A 82 -2.858 0.860 -2.655 1.00 0.00 C ATOM 0 H THR A 82 -1.989 3.317 -4.242 1.00 0.00 H new ATOM 0 HA THR A 82 -1.166 0.561 -4.793 1.00 0.00 H new ATOM 0 HB THR A 82 -3.552 0.032 -4.496 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.753 2.818 -4.662 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.767 0.610 -2.108 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.119 0.072 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.459 1.804 -2.284 1.00 0.00 H new ATOM 1231 N MET A 83 -2.242 0.280 -7.095 1.00 0.00 N ATOM 1232 CA MET A 83 -2.566 0.222 -8.516 1.00 0.00 C ATOM 1233 C MET A 83 -3.036 -1.174 -8.910 1.00 0.00 C ATOM 1234 O MET A 83 -2.469 -2.186 -8.498 1.00 0.00 O ATOM 1235 CB MET A 83 -1.349 0.619 -9.355 1.00 0.00 C ATOM 1236 CG MET A 83 -1.608 0.591 -10.852 1.00 0.00 C ATOM 1237 SD MET A 83 -2.197 2.173 -11.485 1.00 0.00 S ATOM 1238 CE MET A 83 -1.436 2.194 -13.106 1.00 0.00 C ATOM 0 H MET A 83 -2.000 -0.620 -6.681 1.00 0.00 H new ATOM 0 HA MET A 83 -3.376 0.926 -8.707 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.032 1.622 -9.068 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.524 -0.055 -9.125 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.690 0.316 -11.371 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.344 -0.182 -11.075 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.857 3.008 -13.695 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.361 2.340 -13.001 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.626 1.246 -13.609 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.099 -1.233 -9.727 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.668 -2.500 -10.195 1.00 0.00 C ATOM 1250 C PRO A 84 -3.750 -3.221 -11.176 1.00 0.00 C ATOM 1251 O PRO A 84 -3.487 -2.726 -12.272 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.963 -2.072 -10.890 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.720 -0.663 -11.308 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.825 -0.067 -10.257 1.00 0.00 C ATOM 0 HA PRO A 84 -4.820 -3.205 -9.378 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.181 -2.708 -11.748 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.817 -2.143 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.249 -0.623 -12.290 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.657 -0.111 -11.381 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.145 0.672 -10.680 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.399 0.437 -9.479 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.268 -4.393 -10.776 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.381 -5.182 -11.622 1.00 0.00 C ATOM 1264 C ALA A 85 -2.809 -5.110 -13.084 1.00 0.00 C ATOM 1265 O ALA A 85 -1.973 -5.136 -13.987 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.351 -6.628 -11.150 1.00 0.00 C ATOM 0 H ALA A 85 -3.477 -4.817 -9.872 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.377 -4.764 -11.543 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.685 -7.206 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.991 -6.668 -10.122 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.356 -7.048 -11.199 1.00 0.00 H new ATOM 1272 N ALA A 86 -4.116 -5.020 -13.310 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.654 -4.943 -14.662 1.00 0.00 C ATOM 1274 C ALA A 86 -4.055 -3.766 -15.425 1.00 0.00 C ATOM 1275 O ALA A 86 -3.338 -3.950 -16.410 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.171 -4.830 -14.621 1.00 0.00 C ATOM 0 H ALA A 86 -4.821 -4.999 -12.574 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.383 -5.859 -15.187 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.559 -4.773 -15.638 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.588 -5.705 -14.122 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.454 -3.931 -14.074 1.00 0.00 H new ATOM 1282 N THR A 87 -4.353 -2.555 -14.965 1.00 0.00 N ATOM 1283 CA THR A 87 -3.845 -1.348 -15.605 1.00 0.00 C ATOM 1284 C THR A 87 -2.322 -1.352 -15.656 1.00 0.00 C ATOM 1285 O THR A 87 -1.727 -1.257 -16.730 1.00 0.00 O ATOM 1286 CB THR A 87 -4.320 -0.080 -14.870 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.749 -0.066 -14.790 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.835 1.173 -15.584 1.00 0.00 C ATOM 0 H THR A 87 -4.944 -2.384 -14.151 1.00 0.00 H new ATOM 0 HA THR A 87 -4.239 -1.339 -16.621 1.00 0.00 H new ATOM 0 HB THR A 87 -3.900 -0.092 -13.864 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.042 0.742 -14.320 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.183 2.055 -15.047 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.746 1.174 -15.617 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.229 1.188 -16.600 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.696 -1.462 -14.490 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.241 -1.477 -14.402 1.00 0.00 C ATOM 1298 C TYR A 88 0.359 -2.410 -15.449 1.00 0.00 C ATOM 1299 O TYR A 88 1.189 -1.999 -16.260 1.00 0.00 O ATOM 1300 CB TYR A 88 0.203 -1.910 -13.003 1.00 0.00 C ATOM 1301 CG TYR A 88 1.594 -1.445 -12.637 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.994 -0.135 -12.874 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.509 -2.314 -12.057 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.264 0.295 -12.542 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.780 -1.893 -11.720 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.153 -0.587 -11.965 1.00 0.00 C ATOM 1307 OH TYR A 88 5.420 -0.164 -11.633 1.00 0.00 O ATOM 0 H TYR A 88 -2.174 -1.542 -13.592 1.00 0.00 H new ATOM 0 HA TYR A 88 0.119 -0.466 -14.593 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.505 -1.522 -12.270 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.164 -2.997 -12.939 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.300 0.558 -13.325 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.221 -3.337 -11.866 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.559 1.316 -12.733 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.478 -2.582 -11.267 1.00 0.00 H new ATOM 0 HH TYR A 88 5.506 -0.121 -10.658 1.00 0.00 H new ATOM 1317 N ARG A 89 -0.068 -3.668 -15.425 1.00 0.00 N ATOM 1318 CA ARG A 89 0.427 -4.661 -16.372 1.00 0.00 C ATOM 1319 C ARG A 89 0.232 -4.187 -17.809 1.00 0.00 C ATOM 1320 O ARG A 89 1.137 -4.292 -18.637 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.289 -5.997 -16.163 1.00 0.00 C ATOM 1322 CG ARG A 89 0.218 -6.778 -14.962 1.00 0.00 C ATOM 1323 CD ARG A 89 1.543 -7.462 -15.262 1.00 0.00 C ATOM 1324 NE ARG A 89 2.285 -7.776 -14.043 1.00 0.00 N ATOM 1325 CZ ARG A 89 3.511 -8.286 -14.041 1.00 0.00 C ATOM 1326 NH1 ARG A 89 4.131 -8.538 -15.186 1.00 0.00 N ATOM 1327 NH2 ARG A 89 4.121 -8.545 -12.891 1.00 0.00 N ATOM 0 H ARG A 89 -0.755 -4.024 -14.761 1.00 0.00 H new ATOM 0 HA ARG A 89 1.494 -4.796 -16.194 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.356 -5.812 -16.041 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.171 -6.607 -17.059 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.339 -6.105 -14.113 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.521 -7.525 -14.674 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.359 -8.380 -15.821 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.148 -6.817 -15.899 1.00 0.00 H new ATOM 0 HE ARG A 89 1.837 -7.594 -13.145 1.00 0.00 H new ATOM 0 HH11 ARG A 89 3.666 -8.340 -16.072 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.073 -8.930 -15.181 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.648 -8.352 -12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.063 -8.937 -12.890 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.955 -3.665 -18.098 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.270 -3.174 -19.435 1.00 0.00 C ATOM 1343 C LEU A 90 -0.369 -2.002 -19.812 1.00 0.00 C ATOM 1344 O LEU A 90 -0.028 -1.818 -20.981 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.738 -2.749 -19.512 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.741 -3.856 -19.841 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.159 -3.399 -19.535 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.616 -4.272 -21.299 1.00 0.00 C ATOM 0 H LEU A 90 -1.715 -3.571 -17.424 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.095 -3.985 -20.142 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.018 -2.305 -18.557 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.830 -1.967 -20.266 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.517 -4.721 -19.217 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.859 -4.199 -19.775 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.241 -3.151 -18.477 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.395 -2.519 -20.133 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.337 -5.060 -21.516 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.814 -3.413 -21.941 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.608 -4.641 -21.487 1.00 0.00 H new ATOM 1360 N LEU A 91 0.015 -1.214 -18.814 1.00 0.00 N ATOM 1361 CA LEU A 91 0.879 -0.060 -19.039 1.00 0.00 C ATOM 1362 C LEU A 91 2.306 -0.501 -19.348 1.00 0.00 C ATOM 1363 O LEU A 91 2.914 -0.041 -20.315 1.00 0.00 O ATOM 1364 CB LEU A 91 0.869 0.856 -17.814 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.449 1.574 -17.522 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.485 2.060 -16.082 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.647 2.735 -18.485 1.00 0.00 C ATOM 0 H LEU A 91 -0.258 -1.353 -17.841 1.00 0.00 H new ATOM 0 HA LEU A 91 0.494 0.489 -19.898 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.138 0.263 -16.940 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.648 1.607 -17.941 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.266 0.867 -17.664 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.430 2.568 -15.893 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.390 1.209 -15.408 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.340 2.752 -15.911 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.590 3.235 -18.263 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.174 3.443 -18.375 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.667 2.360 -19.508 1.00 0.00 H new ATOM 1379 N THR A 92 2.835 -1.397 -18.521 1.00 0.00 N ATOM 1380 CA THR A 92 4.190 -1.901 -18.705 1.00 0.00 C ATOM 1381 C THR A 92 4.269 -2.838 -19.905 1.00 0.00 C ATOM 1382 O THR A 92 5.357 -3.196 -20.355 1.00 0.00 O ATOM 1383 CB THR A 92 4.688 -2.646 -17.453 1.00 0.00 C ATOM 1384 OG1 THR A 92 3.657 -3.503 -16.950 1.00 0.00 O ATOM 1385 CG2 THR A 92 5.111 -1.664 -16.371 1.00 0.00 C ATOM 0 H THR A 92 2.345 -1.789 -17.717 1.00 0.00 H new ATOM 0 HA THR A 92 4.828 -1.035 -18.880 1.00 0.00 H new ATOM 0 HB THR A 92 5.553 -3.246 -17.735 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.050 -3.748 -17.680 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.459 -2.214 -15.497 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.916 -1.033 -16.747 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.261 -1.041 -16.093 1.00 0.00 H new ATOM 1393 N GLY A 93 3.108 -3.233 -20.420 1.00 0.00 N ATOM 1394 CA GLY A 93 3.069 -4.125 -21.564 1.00 0.00 C ATOM 1395 C GLY A 93 3.066 -3.377 -22.882 1.00 0.00 C ATOM 1396 O GLY A 93 4.107 -3.228 -23.521 1.00 0.00 O ATOM 0 H GLY A 93 2.194 -2.951 -20.065 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.930 -4.792 -21.530 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.179 -4.751 -21.503 1.00 0.00 H new ATOM 1400 N GLN A 94 1.891 -2.907 -23.291 1.00 0.00 N ATOM 1401 CA GLN A 94 1.757 -2.173 -24.544 1.00 0.00 C ATOM 1402 C GLN A 94 2.994 -1.323 -24.812 1.00 0.00 C ATOM 1403 O GLN A 94 3.161 -0.776 -25.903 1.00 0.00 O ATOM 1404 CB GLN A 94 0.512 -1.286 -24.509 1.00 0.00 C ATOM 1405 CG GLN A 94 -0.100 -1.041 -25.879 1.00 0.00 C ATOM 1406 CD GLN A 94 -0.833 0.283 -25.963 1.00 0.00 C ATOM 1407 OE1 GLN A 94 -0.420 1.273 -25.359 1.00 0.00 O ATOM 1408 NE2 GLN A 94 -1.928 0.307 -26.713 1.00 0.00 N ATOM 0 H GLN A 94 1.020 -3.021 -22.773 1.00 0.00 H new ATOM 0 HA GLN A 94 1.655 -2.898 -25.351 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.235 -1.748 -23.864 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.772 -0.327 -24.060 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.686 -1.065 -26.633 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.792 -1.850 -26.114 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.234 -0.538 -27.196 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.464 1.170 -26.806 1.00 0.00 H new TER 1417 GLN A 94