USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 669 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 48 TYR OH : rot 36:sc= 0.0746 USER MOD Set 1.2: A 89 GLN : amide:sc= 0.0478 K(o=0.12,f=-0.65) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= -0.358 (180deg=-1.12) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= -1.2 USER MOD Single : A 24 MET CE :methyl 124:sc= -0.15 (180deg=-1.8) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot -174:sc= -2.26 USER MOD Single : A 32 MET CE :methyl 166:sc= -0.126 (180deg=-0.544) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -170:sc= -2.04! USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 45 GLN : amide:sc=-0.00957 K(o=-0.0096,f=-2.6!) USER MOD Single : A 51 SER OG : rot -39:sc= -0.095! USER MOD Single : A 52 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.198) USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= -0.395 (180deg=-0.448) USER MOD Single : A 64 SER OG : rot 180:sc= -1.1 USER MOD Single : A 66 GLN : amide:sc= -3.23 K(o=-3.2,f=-9.2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -144:sc= 0.00906 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -167:sc= -0.0418 (180deg=-0.252) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 9 -8.971 10.956 -3.316 1.00 0.00 N ATOM 12 CA ASP A 9 -7.825 11.274 -2.472 1.00 0.00 C ATOM 13 C ASP A 9 -8.079 10.856 -1.025 1.00 0.00 C ATOM 14 O ASP A 9 -7.856 11.631 -0.095 1.00 0.00 O ATOM 15 CB ASP A 9 -7.513 12.770 -2.539 1.00 0.00 C ATOM 16 CG ASP A 9 -6.563 13.113 -3.671 1.00 0.00 C ATOM 17 OD1 ASP A 9 -6.983 13.030 -4.844 1.00 0.00 O ATOM 18 OD2 ASP A 9 -5.400 13.465 -3.382 1.00 0.00 O ATOM 0 HA ASP A 9 -6.966 10.716 -2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.441 13.327 -2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.077 13.090 -1.593 1.00 0.00 H new ATOM 23 N ARG A 10 -8.546 9.624 -0.843 1.00 0.00 N ATOM 24 CA ARG A 10 -8.829 9.103 0.490 1.00 0.00 C ATOM 25 C ARG A 10 -8.208 7.722 0.675 1.00 0.00 C ATOM 26 O ARG A 10 -8.070 6.961 -0.282 1.00 0.00 O ATOM 27 CB ARG A 10 -10.341 9.031 0.728 1.00 0.00 C ATOM 28 CG ARG A 10 -11.111 10.208 0.148 1.00 0.00 C ATOM 29 CD ARG A 10 -11.901 9.809 -1.089 1.00 0.00 C ATOM 30 NE ARG A 10 -13.213 9.259 -0.748 1.00 0.00 N ATOM 31 CZ ARG A 10 -13.493 7.955 -0.715 1.00 0.00 C ATOM 32 NH1 ARG A 10 -12.561 7.054 -1.004 1.00 0.00 N ATOM 33 NH2 ARG A 10 -14.714 7.551 -0.392 1.00 0.00 N ATOM 0 H ARG A 10 -8.736 8.969 -1.601 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.388 9.783 1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.724 8.108 0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.528 8.979 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.791 10.605 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.416 11.008 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.029 10.679 -1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.335 9.071 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.961 9.914 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.620 7.356 -1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.787 6.060 -0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.436 8.236 -0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.931 6.555 -0.366 1.00 0.00 H new ATOM 47 N LYS A 11 -7.837 7.405 1.912 1.00 0.00 N ATOM 48 CA LYS A 11 -7.230 6.114 2.219 1.00 0.00 C ATOM 49 C LYS A 11 -7.649 5.634 3.603 1.00 0.00 C ATOM 50 O LYS A 11 -7.731 6.421 4.544 1.00 0.00 O ATOM 51 CB LYS A 11 -5.704 6.211 2.142 1.00 0.00 C ATOM 52 CG LYS A 11 -5.135 7.420 2.865 1.00 0.00 C ATOM 53 CD LYS A 11 -3.716 7.164 3.347 1.00 0.00 C ATOM 54 CE LYS A 11 -2.689 7.759 2.397 1.00 0.00 C ATOM 55 NZ LYS A 11 -2.318 6.807 1.314 1.00 0.00 N ATOM 0 H LYS A 11 -7.946 8.023 2.716 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.579 5.392 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.269 5.306 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.403 6.249 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.144 8.282 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.770 7.669 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.585 7.593 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.550 6.091 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.088 8.673 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.796 8.039 2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.947 7.336 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.589 6.152 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.158 6.267 1.023 1.00 0.00 H new ATOM 69 N LEU A 12 -7.932 4.341 3.719 1.00 0.00 N ATOM 70 CA LEU A 12 -8.365 3.768 4.980 1.00 0.00 C ATOM 71 C LEU A 12 -7.214 3.319 5.842 1.00 0.00 C ATOM 72 O LEU A 12 -6.207 2.792 5.369 1.00 0.00 O ATOM 73 CB LEU A 12 -9.303 2.604 4.721 1.00 0.00 C ATOM 74 CG LEU A 12 -10.635 3.060 4.177 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.877 2.505 2.781 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.769 2.686 5.120 1.00 0.00 C ATOM 0 H LEU A 12 -7.868 3.672 2.951 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.885 4.554 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.840 1.916 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.460 2.052 5.648 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.609 4.147 4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.844 2.850 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.090 2.851 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.870 1.416 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.717 3.027 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.796 1.604 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.608 3.159 6.089 1.00 0.00 H new ATOM 88 N CYS A 13 -7.399 3.550 7.124 1.00 0.00 N ATOM 89 CA CYS A 13 -6.404 3.195 8.128 1.00 0.00 C ATOM 90 C CYS A 13 -7.069 2.789 9.438 1.00 0.00 C ATOM 91 O CYS A 13 -8.248 3.063 9.658 1.00 0.00 O ATOM 92 CB CYS A 13 -5.453 4.368 8.373 1.00 0.00 C ATOM 93 SG CYS A 13 -4.150 4.548 7.112 1.00 0.00 S ATOM 0 H CYS A 13 -8.238 3.987 7.504 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.836 2.345 7.750 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.034 5.290 8.414 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.984 4.243 9.349 1.00 0.00 H new ATOM 98 N ALA A 14 -6.301 2.137 10.303 1.00 0.00 N ATOM 99 CA ALA A 14 -6.809 1.693 11.595 1.00 0.00 C ATOM 100 C ALA A 14 -7.281 2.876 12.432 1.00 0.00 C ATOM 101 O ALA A 14 -6.538 3.394 13.266 1.00 0.00 O ATOM 102 CB ALA A 14 -5.738 0.912 12.340 1.00 0.00 C ATOM 0 H ALA A 14 -5.323 1.904 10.132 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.664 1.040 11.419 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.130 0.586 13.304 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.448 0.041 11.752 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.868 1.549 12.499 1.00 0.00 H new ATOM 108 N ASP A 15 -8.519 3.301 12.205 1.00 0.00 N ATOM 109 CA ASP A 15 -9.087 4.425 12.940 1.00 0.00 C ATOM 110 C ASP A 15 -8.278 5.695 12.695 1.00 0.00 C ATOM 111 O ASP A 15 -7.306 5.687 11.940 1.00 0.00 O ATOM 112 CB ASP A 15 -9.131 4.115 14.437 1.00 0.00 C ATOM 113 CG ASP A 15 -10.419 3.428 14.847 1.00 0.00 C ATOM 114 OD1 ASP A 15 -11.478 4.089 14.823 1.00 0.00 O ATOM 115 OD2 ASP A 15 -10.369 2.228 15.191 1.00 0.00 O ATOM 0 H ASP A 15 -9.148 2.885 11.518 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.104 4.586 12.582 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.284 3.480 14.699 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.021 5.041 15.001 1.00 0.00 H new ATOM 120 N GLN A 16 -8.686 6.785 13.336 1.00 0.00 N ATOM 121 CA GLN A 16 -7.998 8.061 13.186 1.00 0.00 C ATOM 122 C GLN A 16 -6.602 8.003 13.801 1.00 0.00 C ATOM 123 O GLN A 16 -6.361 8.556 14.875 1.00 0.00 O ATOM 124 CB GLN A 16 -8.813 9.183 13.834 1.00 0.00 C ATOM 125 CG GLN A 16 -8.794 10.482 13.044 1.00 0.00 C ATOM 126 CD GLN A 16 -8.601 11.700 13.928 1.00 0.00 C ATOM 127 OE1 GLN A 16 -9.503 12.096 14.665 1.00 0.00 O ATOM 128 NE2 GLN A 16 -7.417 12.299 13.859 1.00 0.00 N ATOM 0 H GLN A 16 -9.489 6.810 13.964 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.895 8.268 12.121 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.845 8.852 13.948 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.426 9.371 14.835 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.993 10.443 12.306 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.729 10.582 12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.698 11.936 13.234 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.227 13.122 14.432 1.00 0.00 H new ATOM 137 N GLU A 17 -5.686 7.330 13.112 1.00 0.00 N ATOM 138 CA GLU A 17 -4.316 7.200 13.589 1.00 0.00 C ATOM 139 C GLU A 17 -3.419 6.600 12.509 1.00 0.00 C ATOM 140 O GLU A 17 -2.385 7.169 12.159 1.00 0.00 O ATOM 141 CB GLU A 17 -4.272 6.334 14.850 1.00 0.00 C ATOM 142 CG GLU A 17 -3.599 7.015 16.031 1.00 0.00 C ATOM 143 CD GLU A 17 -3.207 6.037 17.122 1.00 0.00 C ATOM 144 OE1 GLU A 17 -3.786 4.932 17.165 1.00 0.00 O ATOM 145 OE2 GLU A 17 -2.319 6.378 17.933 1.00 0.00 O ATOM 0 H GLU A 17 -5.869 6.867 12.222 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.945 8.196 13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.290 6.062 15.130 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.744 5.407 14.626 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.710 7.542 15.684 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.273 7.765 16.445 1.00 0.00 H new ATOM 152 N CYS A 18 -3.824 5.446 11.986 1.00 0.00 N ATOM 153 CA CYS A 18 -3.057 4.767 10.947 1.00 0.00 C ATOM 154 C CYS A 18 -1.654 4.429 11.438 1.00 0.00 C ATOM 155 O CYS A 18 -0.700 4.407 10.660 1.00 0.00 O ATOM 156 CB CYS A 18 -2.975 5.639 9.692 1.00 0.00 C ATOM 157 SG CYS A 18 -2.445 4.739 8.197 1.00 0.00 S ATOM 0 H CYS A 18 -4.678 4.962 12.264 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.570 3.837 10.702 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.952 6.085 9.508 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.280 6.458 9.876 1.00 0.00 H new ATOM 162 N SER A 19 -1.534 4.167 12.736 1.00 0.00 N ATOM 163 CA SER A 19 -0.246 3.830 13.332 1.00 0.00 C ATOM 164 C SER A 19 -0.012 2.323 13.310 1.00 0.00 C ATOM 165 O SER A 19 1.103 1.861 13.068 1.00 0.00 O ATOM 166 CB SER A 19 -0.177 4.346 14.771 1.00 0.00 C ATOM 167 OG SER A 19 0.400 5.640 14.822 1.00 0.00 O ATOM 0 H SER A 19 -2.313 4.182 13.395 1.00 0.00 H new ATOM 0 HA SER A 19 0.535 4.309 12.742 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.179 4.374 15.199 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.410 3.658 15.379 1.00 0.00 H new ATOM 0 HG SER A 19 0.431 5.948 15.752 1.00 0.00 H new ATOM 173 N HIS A 20 -1.072 1.561 13.563 1.00 0.00 N ATOM 174 CA HIS A 20 -0.981 0.105 13.573 1.00 0.00 C ATOM 175 C HIS A 20 -1.139 -0.459 12.161 1.00 0.00 C ATOM 176 O HIS A 20 -1.932 0.050 11.368 1.00 0.00 O ATOM 177 CB HIS A 20 -2.048 -0.486 14.496 1.00 0.00 C ATOM 178 CG HIS A 20 -1.532 -0.845 15.855 1.00 0.00 C ATOM 179 ND1 HIS A 20 -1.094 0.094 16.765 1.00 0.00 N ATOM 180 CD2 HIS A 20 -1.384 -2.048 16.458 1.00 0.00 C ATOM 181 CE1 HIS A 20 -0.699 -0.516 17.870 1.00 0.00 C ATOM 182 NE2 HIS A 20 -0.866 -1.816 17.708 1.00 0.00 N ATOM 0 H HIS A 20 -2.003 1.927 13.764 1.00 0.00 H new ATOM 0 HA HIS A 20 0.005 -0.172 13.947 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.862 0.231 14.603 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.468 -1.377 14.029 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.628 -3.011 16.034 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.307 -0.034 18.753 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.646 -2.532 18.400 1.00 0.00 H new ATOM 191 N PRO A 21 -0.386 -1.521 11.826 1.00 0.00 N ATOM 192 CA PRO A 21 -0.452 -2.149 10.502 1.00 0.00 C ATOM 193 C PRO A 21 -1.876 -2.535 10.115 1.00 0.00 C ATOM 194 O PRO A 21 -2.815 -2.339 10.888 1.00 0.00 O ATOM 195 CB PRO A 21 0.419 -3.398 10.651 1.00 0.00 C ATOM 196 CG PRO A 21 1.353 -3.081 11.768 1.00 0.00 C ATOM 197 CD PRO A 21 0.586 -2.195 12.709 1.00 0.00 C ATOM 0 HA PRO A 21 -0.116 -1.473 9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.185 -4.276 10.878 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.962 -3.614 9.731 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.684 -3.990 12.270 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.247 -2.578 11.399 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.088 -2.772 13.489 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.238 -1.479 13.209 1.00 0.00 H new ATOM 205 N ILE A 22 -2.029 -3.084 8.915 1.00 0.00 N ATOM 206 CA ILE A 22 -3.337 -3.498 8.421 1.00 0.00 C ATOM 207 C ILE A 22 -3.448 -5.013 8.370 1.00 0.00 C ATOM 208 O ILE A 22 -4.440 -5.596 8.807 1.00 0.00 O ATOM 209 CB ILE A 22 -3.613 -2.916 7.010 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.055 -2.414 6.917 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.336 -3.941 5.905 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.353 -1.251 7.839 1.00 0.00 C ATOM 0 H ILE A 22 -1.261 -3.253 8.265 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.081 -3.109 9.117 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.931 -2.079 6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.261 -2.114 5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.732 -3.235 7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.542 -3.493 4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.291 -4.249 5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.977 -4.811 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.393 -0.949 7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.180 -1.552 8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.701 -0.414 7.591 1.00 0.00 H new ATOM 224 N SER A 23 -2.429 -5.639 7.802 1.00 0.00 N ATOM 225 CA SER A 23 -2.404 -7.081 7.647 1.00 0.00 C ATOM 226 C SER A 23 -1.113 -7.522 6.979 1.00 0.00 C ATOM 227 O SER A 23 -0.180 -6.737 6.813 1.00 0.00 O ATOM 228 CB SER A 23 -3.605 -7.532 6.806 1.00 0.00 C ATOM 229 OG SER A 23 -3.595 -6.913 5.531 1.00 0.00 O ATOM 0 H SER A 23 -1.603 -5.164 7.439 1.00 0.00 H new ATOM 0 HA SER A 23 -2.460 -7.540 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.584 -8.615 6.688 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.531 -7.286 7.326 1.00 0.00 H new ATOM 0 HG SER A 23 -4.369 -7.218 5.013 1.00 0.00 H new ATOM 235 N MET A 24 -1.079 -8.782 6.593 1.00 0.00 N ATOM 236 CA MET A 24 0.088 -9.352 5.928 1.00 0.00 C ATOM 237 C MET A 24 -0.331 -10.145 4.697 1.00 0.00 C ATOM 238 O MET A 24 -1.294 -10.910 4.741 1.00 0.00 O ATOM 239 CB MET A 24 0.866 -10.252 6.889 1.00 0.00 C ATOM 240 CG MET A 24 2.355 -10.315 6.592 1.00 0.00 C ATOM 241 SD MET A 24 3.145 -11.771 7.302 1.00 0.00 S ATOM 242 CE MET A 24 2.409 -13.070 6.311 1.00 0.00 C ATOM 0 H MET A 24 -1.848 -9.438 6.727 1.00 0.00 H new ATOM 0 HA MET A 24 0.734 -8.532 5.613 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.722 -9.892 7.908 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.452 -11.259 6.845 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.506 -10.315 5.513 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.837 -9.419 6.982 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.196 -13.657 5.838 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.807 -13.718 6.949 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.775 -12.627 5.543 1.00 0.00 H new ATOM 252 N ALA A 25 0.392 -9.960 3.596 1.00 0.00 N ATOM 253 CA ALA A 25 0.076 -10.665 2.360 1.00 0.00 C ATOM 254 C ALA A 25 1.327 -11.048 1.589 1.00 0.00 C ATOM 255 O ALA A 25 2.297 -10.294 1.537 1.00 0.00 O ATOM 256 CB ALA A 25 -0.848 -9.825 1.491 1.00 0.00 C ATOM 0 H ALA A 25 1.194 -9.333 3.535 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.435 -11.589 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.074 -10.366 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.773 -9.625 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.359 -8.882 1.246 1.00 0.00 H new ATOM 262 N VAL A 26 1.292 -12.233 0.992 1.00 0.00 N ATOM 263 CA VAL A 26 2.420 -12.737 0.217 1.00 0.00 C ATOM 264 C VAL A 26 2.187 -12.566 -1.280 1.00 0.00 C ATOM 265 O VAL A 26 1.049 -12.534 -1.743 1.00 0.00 O ATOM 266 CB VAL A 26 2.685 -14.225 0.520 1.00 0.00 C ATOM 267 CG1 VAL A 26 3.948 -14.699 -0.184 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.785 -14.457 2.021 1.00 0.00 C ATOM 0 H VAL A 26 0.492 -12.865 1.030 1.00 0.00 H new ATOM 0 HA VAL A 26 3.291 -12.151 0.510 1.00 0.00 H new ATOM 0 HB VAL A 26 1.845 -14.807 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.118 -15.752 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.833 -14.573 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.799 -14.112 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.972 -15.513 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.604 -13.863 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.851 -14.161 2.498 1.00 0.00 H new ATOM 278 N ALA A 27 3.276 -12.456 -2.031 1.00 0.00 N ATOM 279 CA ALA A 27 3.198 -12.286 -3.476 1.00 0.00 C ATOM 280 C ALA A 27 2.629 -13.528 -4.147 1.00 0.00 C ATOM 281 O ALA A 27 3.084 -14.645 -3.900 1.00 0.00 O ATOM 282 CB ALA A 27 4.575 -11.965 -4.041 1.00 0.00 C ATOM 0 H ALA A 27 4.226 -12.482 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 27 2.525 -11.454 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.505 -11.840 -5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.947 -11.044 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.261 -12.781 -3.814 1.00 0.00 H new ATOM 288 N LEU A 28 1.632 -13.326 -5.003 1.00 0.00 N ATOM 289 CA LEU A 28 1.003 -14.431 -5.716 1.00 0.00 C ATOM 290 C LEU A 28 1.669 -14.665 -7.072 1.00 0.00 C ATOM 291 O LEU A 28 1.264 -15.554 -7.820 1.00 0.00 O ATOM 292 CB LEU A 28 -0.491 -14.154 -5.908 1.00 0.00 C ATOM 293 CG LEU A 28 -1.404 -15.367 -5.716 1.00 0.00 C ATOM 294 CD1 LEU A 28 -2.652 -14.981 -4.936 1.00 0.00 C ATOM 295 CD2 LEU A 28 -1.782 -15.969 -7.062 1.00 0.00 C ATOM 0 H LEU A 28 1.243 -12.408 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 28 1.127 -15.332 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.794 -13.376 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.645 -13.757 -6.911 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.860 -16.118 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.288 -15.857 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.365 -14.597 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.198 -14.211 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.431 -16.830 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.306 -15.223 -7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.880 -16.285 -7.586 1.00 0.00 H new ATOM 307 N GLN A 29 2.698 -13.870 -7.379 1.00 0.00 N ATOM 308 CA GLN A 29 3.427 -13.989 -8.635 1.00 0.00 C ATOM 309 C GLN A 29 4.299 -12.763 -8.875 1.00 0.00 C ATOM 310 O GLN A 29 4.261 -11.799 -8.109 1.00 0.00 O ATOM 311 CB GLN A 29 2.471 -14.178 -9.816 1.00 0.00 C ATOM 312 CG GLN A 29 1.305 -13.204 -9.815 1.00 0.00 C ATOM 313 CD GLN A 29 0.074 -13.764 -10.499 1.00 0.00 C ATOM 314 OE1 GLN A 29 -1.022 -13.748 -9.941 1.00 0.00 O ATOM 315 NE2 GLN A 29 0.251 -14.262 -11.718 1.00 0.00 N ATOM 0 H GLN A 29 3.044 -13.132 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 29 4.065 -14.870 -8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.028 -14.064 -10.746 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.083 -15.197 -9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.057 -12.942 -8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.606 -12.283 -10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.179 -14.254 -12.142 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.541 -14.652 -12.230 1.00 0.00 H new ATOM 324 N ASP A 30 5.080 -12.810 -9.945 1.00 0.00 N ATOM 325 CA ASP A 30 5.964 -11.706 -10.300 1.00 0.00 C ATOM 326 C ASP A 30 5.168 -10.536 -10.866 1.00 0.00 C ATOM 327 O ASP A 30 4.135 -10.729 -11.506 1.00 0.00 O ATOM 328 CB ASP A 30 7.009 -12.167 -11.318 1.00 0.00 C ATOM 329 CG ASP A 30 8.053 -11.103 -11.596 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.584 -10.524 -10.625 1.00 0.00 O ATOM 331 OD2 ASP A 30 8.342 -10.851 -12.784 1.00 0.00 O ATOM 0 H ASP A 30 5.120 -13.603 -10.585 1.00 0.00 H new ATOM 0 HA ASP A 30 6.472 -11.374 -9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.501 -13.067 -10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.511 -12.436 -12.250 1.00 0.00 H new ATOM 336 N TYR A 31 5.650 -9.321 -10.622 1.00 0.00 N ATOM 337 CA TYR A 31 4.970 -8.126 -11.110 1.00 0.00 C ATOM 338 C TYR A 31 5.906 -6.917 -11.127 1.00 0.00 C ATOM 339 O TYR A 31 6.014 -6.189 -10.140 1.00 0.00 O ATOM 340 CB TYR A 31 3.741 -7.836 -10.240 1.00 0.00 C ATOM 341 CG TYR A 31 3.190 -6.435 -10.390 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.407 -6.085 -11.483 1.00 0.00 C ATOM 343 CD2 TYR A 31 3.454 -5.462 -9.434 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.904 -4.805 -11.620 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.954 -4.182 -9.561 1.00 0.00 C ATOM 346 CZ TYR A 31 2.180 -3.857 -10.656 1.00 0.00 C ATOM 347 OH TYR A 31 1.677 -2.581 -10.789 1.00 0.00 O ATOM 0 H TYR A 31 6.503 -9.138 -10.093 1.00 0.00 H new ATOM 0 HA TYR A 31 4.651 -8.311 -12.136 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.957 -8.551 -10.489 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.003 -8.001 -9.195 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.188 -6.825 -12.238 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.061 -5.712 -8.576 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.298 -4.548 -12.477 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.167 -3.439 -8.807 1.00 0.00 H new ATOM 0 HH TYR A 31 2.039 -2.011 -10.079 1.00 0.00 H new ATOM 357 N MET A 32 6.581 -6.712 -12.256 1.00 0.00 N ATOM 358 CA MET A 32 7.498 -5.608 -12.411 1.00 0.00 C ATOM 359 C MET A 32 6.763 -4.273 -12.357 1.00 0.00 C ATOM 360 O MET A 32 5.809 -4.050 -13.103 1.00 0.00 O ATOM 361 CB MET A 32 8.262 -5.732 -13.731 1.00 0.00 C ATOM 362 CG MET A 32 9.138 -6.972 -13.813 1.00 0.00 C ATOM 363 SD MET A 32 9.841 -7.218 -15.454 1.00 0.00 S ATOM 364 CE MET A 32 10.678 -5.654 -15.702 1.00 0.00 C ATOM 0 H MET A 32 6.502 -7.309 -13.080 1.00 0.00 H new ATOM 0 HA MET A 32 8.208 -5.642 -11.584 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.548 -5.747 -14.554 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.885 -4.848 -13.865 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.945 -6.891 -13.085 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.549 -7.847 -13.540 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.360 -5.737 -16.548 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.942 -4.876 -15.904 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.241 -5.397 -14.805 1.00 0.00 H new ATOM 374 N ALA A 33 7.207 -3.393 -11.460 1.00 0.00 N ATOM 375 CA ALA A 33 6.601 -2.083 -11.284 1.00 0.00 C ATOM 376 C ALA A 33 6.191 -1.453 -12.617 1.00 0.00 C ATOM 377 O ALA A 33 6.970 -1.439 -13.570 1.00 0.00 O ATOM 378 CB ALA A 33 7.557 -1.163 -10.541 1.00 0.00 C ATOM 0 H ALA A 33 7.996 -3.572 -10.838 1.00 0.00 H new ATOM 0 HA ALA A 33 5.693 -2.218 -10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.095 -0.184 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.784 -1.587 -9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.479 -1.057 -11.113 1.00 0.00 H new ATOM 384 N PRO A 34 4.958 -0.918 -12.702 1.00 0.00 N ATOM 385 CA PRO A 34 4.456 -0.285 -13.927 1.00 0.00 C ATOM 386 C PRO A 34 5.376 0.826 -14.421 1.00 0.00 C ATOM 387 O PRO A 34 5.787 0.837 -15.580 1.00 0.00 O ATOM 388 CB PRO A 34 3.101 0.292 -13.507 1.00 0.00 C ATOM 389 CG PRO A 34 2.689 -0.517 -12.326 1.00 0.00 C ATOM 390 CD PRO A 34 3.960 -0.887 -11.617 1.00 0.00 C ATOM 0 HA PRO A 34 4.392 -0.994 -14.753 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.183 1.349 -13.253 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.371 0.214 -14.313 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.029 0.054 -11.673 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.140 -1.407 -12.634 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.221 -0.156 -10.852 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.876 -1.853 -11.120 1.00 0.00 H new ATOM 398 N ASP A 35 5.696 1.761 -13.531 1.00 0.00 N ATOM 399 CA ASP A 35 6.567 2.877 -13.875 1.00 0.00 C ATOM 400 C ASP A 35 7.038 3.605 -12.619 1.00 0.00 C ATOM 401 O ASP A 35 6.798 3.150 -11.500 1.00 0.00 O ATOM 402 CB ASP A 35 5.837 3.851 -14.803 1.00 0.00 C ATOM 403 CG ASP A 35 6.367 3.803 -16.223 1.00 0.00 C ATOM 404 OD1 ASP A 35 7.604 3.766 -16.394 1.00 0.00 O ATOM 405 OD2 ASP A 35 5.545 3.801 -17.163 1.00 0.00 O ATOM 0 H ASP A 35 5.364 1.767 -12.566 1.00 0.00 H new ATOM 0 HA ASP A 35 7.441 2.481 -14.392 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.773 3.616 -14.807 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.938 4.864 -14.414 1.00 0.00 H new ATOM 410 N CYS A 36 7.710 4.734 -12.813 1.00 0.00 N ATOM 411 CA CYS A 36 8.214 5.526 -11.696 1.00 0.00 C ATOM 412 C CYS A 36 9.178 4.707 -10.841 1.00 0.00 C ATOM 413 O CYS A 36 9.216 4.855 -9.619 1.00 0.00 O ATOM 414 CB CYS A 36 7.054 6.035 -10.838 1.00 0.00 C ATOM 415 SG CYS A 36 7.101 7.829 -10.517 1.00 0.00 S ATOM 0 H CYS A 36 7.919 5.122 -13.733 1.00 0.00 H new ATOM 0 HA CYS A 36 8.755 6.381 -12.103 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.114 5.789 -11.333 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.061 5.505 -9.885 1.00 0.00 H new ATOM 0 HG CYS A 36 6.080 8.166 -9.786 1.00 0.00 H new ATOM 420 N ARG A 37 9.957 3.848 -11.497 1.00 0.00 N ATOM 421 CA ARG A 37 10.932 3.002 -10.816 1.00 0.00 C ATOM 422 C ARG A 37 10.378 2.437 -9.508 1.00 0.00 C ATOM 423 O ARG A 37 11.108 2.280 -8.530 1.00 0.00 O ATOM 424 CB ARG A 37 12.213 3.792 -10.556 1.00 0.00 C ATOM 425 CG ARG A 37 12.073 4.864 -9.486 1.00 0.00 C ATOM 426 CD ARG A 37 13.373 5.624 -9.285 1.00 0.00 C ATOM 427 NE ARG A 37 13.141 6.998 -8.846 1.00 0.00 N ATOM 428 CZ ARG A 37 14.040 7.974 -8.957 1.00 0.00 C ATOM 429 NH1 ARG A 37 15.231 7.733 -9.488 1.00 0.00 N ATOM 430 NH2 ARG A 37 13.745 9.196 -8.534 1.00 0.00 N ATOM 0 H ARG A 37 9.930 3.720 -12.509 1.00 0.00 H new ATOM 0 HA ARG A 37 11.155 2.156 -11.466 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.001 3.099 -10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.533 4.261 -11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.283 5.560 -9.768 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.771 4.403 -8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.985 5.106 -8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.937 5.632 -10.218 1.00 0.00 H new ATOM 0 HE ARG A 37 12.237 7.223 -8.430 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.463 6.795 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.915 8.486 -9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.831 9.387 -8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.433 9.945 -8.618 1.00 0.00 H new ATOM 444 N PHE A 38 9.084 2.133 -9.501 1.00 0.00 N ATOM 445 CA PHE A 38 8.433 1.585 -8.316 1.00 0.00 C ATOM 446 C PHE A 38 9.063 0.255 -7.915 1.00 0.00 C ATOM 447 O PHE A 38 10.012 -0.209 -8.547 1.00 0.00 O ATOM 448 CB PHE A 38 6.934 1.402 -8.570 1.00 0.00 C ATOM 449 CG PHE A 38 6.077 2.400 -7.845 1.00 0.00 C ATOM 450 CD1 PHE A 38 5.756 2.217 -6.510 1.00 0.00 C ATOM 451 CD2 PHE A 38 5.593 3.522 -8.499 1.00 0.00 C ATOM 452 CE1 PHE A 38 4.968 3.134 -5.840 1.00 0.00 C ATOM 453 CE2 PHE A 38 4.804 4.442 -7.834 1.00 0.00 C ATOM 454 CZ PHE A 38 4.492 4.247 -6.504 1.00 0.00 C ATOM 0 H PHE A 38 8.465 2.257 -10.303 1.00 0.00 H new ATOM 0 HA PHE A 38 8.570 2.291 -7.497 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.743 1.480 -9.640 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.642 0.396 -8.267 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.126 1.348 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.835 3.679 -9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.725 2.980 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.432 5.312 -8.355 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.876 4.965 -5.983 1.00 0.00 H new ATOM 464 N LEU A 39 8.527 -0.353 -6.861 1.00 0.00 N ATOM 465 CA LEU A 39 9.036 -1.630 -6.375 1.00 0.00 C ATOM 466 C LEU A 39 8.268 -2.795 -6.993 1.00 0.00 C ATOM 467 O LEU A 39 7.040 -2.851 -6.916 1.00 0.00 O ATOM 468 CB LEU A 39 8.938 -1.694 -4.850 1.00 0.00 C ATOM 469 CG LEU A 39 9.993 -2.565 -4.167 1.00 0.00 C ATOM 470 CD1 LEU A 39 11.212 -1.736 -3.797 1.00 0.00 C ATOM 471 CD2 LEU A 39 9.409 -3.238 -2.934 1.00 0.00 C ATOM 0 H LEU A 39 7.741 0.018 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 39 10.082 -1.711 -6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.014 -0.681 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.950 -2.069 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 39 10.306 -3.340 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.952 -2.373 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.643 -1.301 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.917 -0.939 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.173 -3.854 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.068 -2.478 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.567 -3.865 -3.226 1.00 0.00 H new ATOM 483 N THR A 40 8.996 -3.721 -7.607 1.00 0.00 N ATOM 484 CA THR A 40 8.379 -4.881 -8.239 1.00 0.00 C ATOM 485 C THR A 40 8.072 -5.966 -7.216 1.00 0.00 C ATOM 486 O THR A 40 8.506 -5.897 -6.067 1.00 0.00 O ATOM 487 CB THR A 40 9.292 -5.448 -9.326 1.00 0.00 C ATOM 488 OG1 THR A 40 8.777 -6.671 -9.822 1.00 0.00 O ATOM 489 CG2 THR A 40 10.703 -5.712 -8.850 1.00 0.00 C ATOM 0 H THR A 40 10.013 -3.691 -7.680 1.00 0.00 H new ATOM 0 HA THR A 40 7.443 -4.552 -8.690 1.00 0.00 H new ATOM 0 HB THR A 40 9.324 -4.683 -10.101 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.445 -7.098 -10.398 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.295 -6.113 -9.672 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.150 -4.781 -8.502 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.682 -6.433 -8.032 1.00 0.00 H new ATOM 497 N ILE A 41 7.325 -6.974 -7.650 1.00 0.00 N ATOM 498 CA ILE A 41 6.959 -8.089 -6.788 1.00 0.00 C ATOM 499 C ILE A 41 7.395 -9.408 -7.414 1.00 0.00 C ATOM 500 O ILE A 41 7.420 -9.544 -8.637 1.00 0.00 O ATOM 501 CB ILE A 41 5.439 -8.124 -6.529 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.966 -6.783 -5.966 1.00 0.00 C ATOM 503 CG2 ILE A 41 5.086 -9.257 -5.576 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.507 -6.492 -6.246 1.00 0.00 C ATOM 0 H ILE A 41 6.959 -7.041 -8.600 1.00 0.00 H new ATOM 0 HA ILE A 41 7.470 -7.949 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 41 4.930 -8.302 -7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.130 -6.772 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.575 -5.985 -6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.010 -9.266 -5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.392 -10.208 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.603 -9.109 -4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.240 -5.526 -5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.340 -6.471 -7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.888 -7.270 -5.799 1.00 0.00 H new ATOM 516 N HIS A 42 7.744 -10.377 -6.575 1.00 0.00 N ATOM 517 CA HIS A 42 8.184 -11.679 -7.062 1.00 0.00 C ATOM 518 C HIS A 42 7.576 -12.810 -6.236 1.00 0.00 C ATOM 519 O HIS A 42 7.294 -12.644 -5.050 1.00 0.00 O ATOM 520 CB HIS A 42 9.711 -11.770 -7.029 1.00 0.00 C ATOM 521 CG HIS A 42 10.310 -12.253 -8.314 1.00 0.00 C ATOM 522 ND1 HIS A 42 11.064 -11.448 -9.142 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.263 -13.467 -8.912 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.455 -12.146 -10.194 1.00 0.00 C ATOM 525 NE2 HIS A 42 10.982 -13.374 -10.078 1.00 0.00 N ATOM 0 H HIS A 42 7.731 -10.286 -5.559 1.00 0.00 H new ATOM 0 HA HIS A 42 7.842 -11.785 -8.091 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.120 -10.788 -6.794 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.009 -12.441 -6.224 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.755 -14.345 -8.541 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.058 -11.776 -11.010 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.127 -14.131 -10.746 1.00 0.00 H new ATOM 534 N ARG A 43 7.375 -13.958 -6.876 1.00 0.00 N ATOM 535 CA ARG A 43 6.799 -15.123 -6.212 1.00 0.00 C ATOM 536 C ARG A 43 7.458 -15.384 -4.861 1.00 0.00 C ATOM 537 O ARG A 43 8.568 -14.925 -4.596 1.00 0.00 O ATOM 538 CB ARG A 43 6.945 -16.363 -7.098 1.00 0.00 C ATOM 539 CG ARG A 43 5.701 -16.701 -7.899 1.00 0.00 C ATOM 540 CD ARG A 43 4.470 -16.807 -7.012 1.00 0.00 C ATOM 541 NE ARG A 43 4.565 -17.927 -6.079 1.00 0.00 N ATOM 542 CZ ARG A 43 3.822 -18.045 -4.982 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.928 -17.113 -4.675 1.00 0.00 N ATOM 544 NH2 ARG A 43 3.973 -19.097 -4.188 1.00 0.00 N ATOM 0 H ARG A 43 7.604 -14.107 -7.859 1.00 0.00 H new ATOM 0 HA ARG A 43 5.743 -14.914 -6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.777 -16.209 -7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.204 -17.216 -6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.538 -15.935 -8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.852 -17.644 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.344 -15.879 -6.454 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.583 -16.927 -7.635 1.00 0.00 H new ATOM 0 HE ARG A 43 5.242 -18.663 -6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.808 -16.302 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.361 -17.208 -3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.659 -19.816 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.403 -19.187 -3.347 1.00 0.00 H new ATOM 558 N GLY A 44 6.759 -16.138 -4.020 1.00 0.00 N ATOM 559 CA GLY A 44 7.275 -16.475 -2.702 1.00 0.00 C ATOM 560 C GLY A 44 7.882 -15.289 -1.976 1.00 0.00 C ATOM 561 O GLY A 44 8.997 -15.374 -1.462 1.00 0.00 O ATOM 0 H GLY A 44 5.838 -16.525 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.467 -16.888 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.029 -17.256 -2.803 1.00 0.00 H new ATOM 565 N GLN A 45 7.148 -14.184 -1.931 1.00 0.00 N ATOM 566 CA GLN A 45 7.624 -12.981 -1.257 1.00 0.00 C ATOM 567 C GLN A 45 6.534 -12.386 -0.373 1.00 0.00 C ATOM 568 O GLN A 45 5.524 -11.883 -0.868 1.00 0.00 O ATOM 569 CB GLN A 45 8.089 -11.945 -2.283 1.00 0.00 C ATOM 570 CG GLN A 45 9.178 -11.021 -1.763 1.00 0.00 C ATOM 571 CD GLN A 45 9.924 -10.313 -2.877 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.489 -9.272 -3.368 1.00 0.00 O ATOM 573 NE2 GLN A 45 11.056 -10.879 -3.281 1.00 0.00 N ATOM 0 H GLN A 45 6.223 -14.095 -2.352 1.00 0.00 H new ATOM 0 HA GLN A 45 8.468 -13.259 -0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.456 -12.463 -3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.234 -11.346 -2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.733 -10.279 -1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.885 -11.598 -1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.378 -11.743 -2.845 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.603 -10.450 -4.027 1.00 0.00 H new ATOM 582 N VAL A 46 6.743 -12.444 0.938 1.00 0.00 N ATOM 583 CA VAL A 46 5.781 -11.911 1.890 1.00 0.00 C ATOM 584 C VAL A 46 5.775 -10.385 1.855 1.00 0.00 C ATOM 585 O VAL A 46 6.761 -9.763 1.461 1.00 0.00 O ATOM 586 CB VAL A 46 6.097 -12.392 3.318 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.035 -11.916 4.298 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.220 -13.908 3.353 1.00 0.00 C ATOM 0 H VAL A 46 7.573 -12.856 1.364 1.00 0.00 H new ATOM 0 HA VAL A 46 4.795 -12.278 1.604 1.00 0.00 H new ATOM 0 HB VAL A 46 7.052 -11.961 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.280 -12.268 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.999 -10.827 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.063 -12.312 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.444 -14.232 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.282 -14.357 3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.023 -14.223 2.687 1.00 0.00 H new ATOM 598 N VAL A 47 4.662 -9.787 2.270 1.00 0.00 N ATOM 599 CA VAL A 47 4.529 -8.352 2.286 1.00 0.00 C ATOM 600 C VAL A 47 3.655 -7.893 3.449 1.00 0.00 C ATOM 601 O VAL A 47 2.732 -8.596 3.861 1.00 0.00 O ATOM 602 CB VAL A 47 3.932 -7.810 0.970 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.264 -6.339 0.775 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.394 -8.634 -0.225 1.00 0.00 C ATOM 0 H VAL A 47 3.838 -10.288 2.601 1.00 0.00 H new ATOM 0 HA VAL A 47 5.536 -7.953 2.404 1.00 0.00 H new ATOM 0 HB VAL A 47 2.848 -7.900 1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.829 -5.989 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.856 -5.761 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.346 -6.211 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.957 -8.228 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.481 -8.596 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.075 -9.669 -0.099 1.00 0.00 H new ATOM 614 N TYR A 48 3.952 -6.708 3.973 1.00 0.00 N ATOM 615 CA TYR A 48 3.194 -6.151 5.087 1.00 0.00 C ATOM 616 C TYR A 48 2.457 -4.886 4.659 1.00 0.00 C ATOM 617 O TYR A 48 3.044 -3.805 4.595 1.00 0.00 O ATOM 618 CB TYR A 48 4.128 -5.836 6.259 1.00 0.00 C ATOM 619 CG TYR A 48 4.072 -6.855 7.374 1.00 0.00 C ATOM 620 CD1 TYR A 48 2.882 -7.124 8.038 1.00 0.00 C ATOM 621 CD2 TYR A 48 5.212 -7.547 7.765 1.00 0.00 C ATOM 622 CE1 TYR A 48 2.830 -8.052 9.060 1.00 0.00 C ATOM 623 CE2 TYR A 48 5.167 -8.477 8.786 1.00 0.00 C ATOM 624 CZ TYR A 48 3.974 -8.725 9.431 1.00 0.00 C ATOM 625 OH TYR A 48 3.926 -9.650 10.448 1.00 0.00 O ATOM 0 H TYR A 48 4.713 -6.115 3.643 1.00 0.00 H new ATOM 0 HA TYR A 48 2.460 -6.892 5.404 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.151 -5.772 5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.873 -4.856 6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.983 -6.599 7.751 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.148 -7.355 7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.897 -8.249 9.566 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.062 -9.007 9.077 1.00 0.00 H new ATOM 0 HH TYR A 48 3.071 -10.127 10.416 1.00 0.00 H new ATOM 635 N VAL A 49 1.167 -5.023 4.370 1.00 0.00 N ATOM 636 CA VAL A 49 0.354 -3.887 3.953 1.00 0.00 C ATOM 637 C VAL A 49 0.128 -2.926 5.113 1.00 0.00 C ATOM 638 O VAL A 49 -0.275 -3.334 6.202 1.00 0.00 O ATOM 639 CB VAL A 49 -1.009 -4.342 3.397 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.794 -3.154 2.861 1.00 0.00 C ATOM 641 CG2 VAL A 49 -0.820 -5.396 2.316 1.00 0.00 C ATOM 0 H VAL A 49 0.663 -5.908 4.417 1.00 0.00 H new ATOM 0 HA VAL A 49 0.902 -3.376 3.161 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.581 -4.787 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.753 -3.497 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.963 -2.437 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.229 -2.676 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.793 -5.705 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.227 -4.980 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.304 -6.259 2.736 1.00 0.00 H new ATOM 651 N PHE A 50 0.392 -1.647 4.873 1.00 0.00 N ATOM 652 CA PHE A 50 0.220 -0.626 5.899 1.00 0.00 C ATOM 653 C PHE A 50 -1.042 0.195 5.646 1.00 0.00 C ATOM 654 O PHE A 50 -1.638 0.736 6.578 1.00 0.00 O ATOM 655 CB PHE A 50 1.444 0.295 5.940 1.00 0.00 C ATOM 656 CG PHE A 50 2.409 -0.040 7.042 1.00 0.00 C ATOM 657 CD1 PHE A 50 2.019 0.033 8.369 1.00 0.00 C ATOM 658 CD2 PHE A 50 3.707 -0.426 6.750 1.00 0.00 C ATOM 659 CE1 PHE A 50 2.906 -0.274 9.385 1.00 0.00 C ATOM 660 CE2 PHE A 50 4.599 -0.733 7.761 1.00 0.00 C ATOM 661 CZ PHE A 50 4.197 -0.657 9.080 1.00 0.00 C ATOM 0 H PHE A 50 0.726 -1.292 3.977 1.00 0.00 H new ATOM 0 HA PHE A 50 0.117 -1.127 6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.963 0.239 4.983 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.110 1.325 6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.011 0.333 8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.026 -0.488 5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.589 -0.214 10.416 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.608 -1.032 7.520 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.891 -0.897 9.872 1.00 0.00 H new ATOM 671 N SER A 51 -1.444 0.285 4.382 1.00 0.00 N ATOM 672 CA SER A 51 -2.636 1.043 4.016 1.00 0.00 C ATOM 673 C SER A 51 -3.105 0.682 2.610 1.00 0.00 C ATOM 674 O SER A 51 -2.357 0.101 1.824 1.00 0.00 O ATOM 675 CB SER A 51 -2.358 2.544 4.103 1.00 0.00 C ATOM 676 OG SER A 51 -1.529 2.849 5.210 1.00 0.00 O ATOM 0 H SER A 51 -0.964 -0.155 3.597 1.00 0.00 H new ATOM 0 HA SER A 51 -3.428 0.785 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.880 2.882 3.184 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.300 3.086 4.190 1.00 0.00 H new ATOM 0 HG SER A 51 -1.784 2.290 5.973 1.00 0.00 H new ATOM 682 N LYS A 52 -4.349 1.031 2.304 1.00 0.00 N ATOM 683 CA LYS A 52 -4.925 0.747 0.995 1.00 0.00 C ATOM 684 C LYS A 52 -5.734 1.937 0.487 1.00 0.00 C ATOM 685 O LYS A 52 -6.944 2.014 0.701 1.00 0.00 O ATOM 686 CB LYS A 52 -5.814 -0.495 1.065 1.00 0.00 C ATOM 687 CG LYS A 52 -6.787 -0.482 2.233 1.00 0.00 C ATOM 688 CD LYS A 52 -7.118 -1.890 2.699 1.00 0.00 C ATOM 689 CE LYS A 52 -8.327 -1.900 3.621 1.00 0.00 C ATOM 690 NZ LYS A 52 -9.567 -2.313 2.906 1.00 0.00 N ATOM 0 H LYS A 52 -4.979 1.512 2.946 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.107 0.562 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.376 -0.582 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.182 -1.380 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.357 0.084 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.703 0.030 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.313 -2.525 1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.259 -2.314 3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.144 -2.580 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.467 -0.906 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.374 -1.764 3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.455 -2.138 1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.739 -3.326 3.066 1.00 0.00 H new ATOM 704 N LEU A 53 -5.059 2.865 -0.184 1.00 0.00 N ATOM 705 CA LEU A 53 -5.715 4.052 -0.721 1.00 0.00 C ATOM 706 C LEU A 53 -6.763 3.671 -1.761 1.00 0.00 C ATOM 707 O LEU A 53 -6.495 2.884 -2.668 1.00 0.00 O ATOM 708 CB LEU A 53 -4.679 4.991 -1.344 1.00 0.00 C ATOM 709 CG LEU A 53 -5.215 6.361 -1.761 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.113 7.408 -1.691 1.00 0.00 C ATOM 711 CD2 LEU A 53 -5.803 6.298 -3.162 1.00 0.00 C ATOM 0 H LEU A 53 -4.057 2.818 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.215 4.565 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.868 5.137 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.250 4.504 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.006 6.648 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.512 8.377 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.736 7.471 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.301 7.127 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.180 7.281 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.031 5.990 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.620 5.577 -3.181 1.00 0.00 H new ATOM 723 N LYS A 54 -7.960 4.236 -1.624 1.00 0.00 N ATOM 724 CA LYS A 54 -9.047 3.955 -2.554 1.00 0.00 C ATOM 725 C LYS A 54 -9.699 5.246 -3.042 1.00 0.00 C ATOM 726 O LYS A 54 -9.125 6.327 -2.912 1.00 0.00 O ATOM 727 CB LYS A 54 -10.088 3.050 -1.893 1.00 0.00 C ATOM 728 CG LYS A 54 -9.486 1.825 -1.229 1.00 0.00 C ATOM 729 CD LYS A 54 -10.562 0.886 -0.710 1.00 0.00 C ATOM 730 CE LYS A 54 -9.958 -0.357 -0.079 1.00 0.00 C ATOM 731 NZ LYS A 54 -9.280 -1.217 -1.087 1.00 0.00 N ATOM 0 H LYS A 54 -8.200 4.890 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.630 3.440 -3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.638 3.625 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.810 2.729 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.854 1.297 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.844 2.135 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.177 1.406 0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.220 0.597 -1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.242 -0.063 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.741 -0.929 0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.955 -2.094 -0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.947 -1.449 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.463 -0.710 -1.483 1.00 0.00 H new ATOM 745 N GLY A 55 -10.893 5.126 -3.616 1.00 0.00 N ATOM 746 CA GLY A 55 -11.590 6.290 -4.128 1.00 0.00 C ATOM 747 C GLY A 55 -11.265 6.541 -5.586 1.00 0.00 C ATOM 748 O GLY A 55 -12.159 6.746 -6.407 1.00 0.00 O ATOM 0 H GLY A 55 -11.389 4.243 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.665 6.150 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.318 7.166 -3.539 1.00 0.00 H new ATOM 752 N ARG A 56 -9.976 6.512 -5.905 1.00 0.00 N ATOM 753 CA ARG A 56 -9.514 6.724 -7.269 1.00 0.00 C ATOM 754 C ARG A 56 -8.186 6.006 -7.507 1.00 0.00 C ATOM 755 O ARG A 56 -7.426 6.371 -8.404 1.00 0.00 O ATOM 756 CB ARG A 56 -9.358 8.219 -7.553 1.00 0.00 C ATOM 757 CG ARG A 56 -8.464 8.939 -6.558 1.00 0.00 C ATOM 758 CD ARG A 56 -7.747 10.114 -7.203 1.00 0.00 C ATOM 759 NE ARG A 56 -6.764 9.681 -8.193 1.00 0.00 N ATOM 760 CZ ARG A 56 -5.622 9.071 -7.884 1.00 0.00 C ATOM 761 NH1 ARG A 56 -5.314 8.825 -6.617 1.00 0.00 N ATOM 762 NH2 ARG A 56 -4.783 8.707 -8.845 1.00 0.00 N ATOM 0 H ARG A 56 -9.229 6.342 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.260 6.311 -7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.950 8.349 -8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.343 8.686 -7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.063 9.293 -5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.731 8.241 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.478 10.767 -7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.250 10.702 -6.432 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.964 9.856 -9.178 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.954 9.104 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.437 8.357 -6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.013 8.895 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.908 8.240 -8.608 1.00 0.00 H new ATOM 776 N GLY A 57 -7.911 4.984 -6.697 1.00 0.00 N ATOM 777 CA GLY A 57 -6.675 4.239 -6.840 1.00 0.00 C ATOM 778 C GLY A 57 -6.692 2.922 -6.084 1.00 0.00 C ATOM 779 O GLY A 57 -5.642 2.411 -5.697 1.00 0.00 O ATOM 0 H GLY A 57 -8.522 4.661 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.494 4.044 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.845 4.848 -6.481 1.00 0.00 H new ATOM 783 N ARG A 58 -7.886 2.370 -5.873 1.00 0.00 N ATOM 784 CA ARG A 58 -8.034 1.107 -5.161 1.00 0.00 C ATOM 785 C ARG A 58 -7.089 0.046 -5.720 1.00 0.00 C ATOM 786 O ARG A 58 -6.636 -0.841 -4.997 1.00 0.00 O ATOM 787 CB ARG A 58 -9.481 0.618 -5.258 1.00 0.00 C ATOM 788 CG ARG A 58 -9.896 -0.297 -4.119 1.00 0.00 C ATOM 789 CD ARG A 58 -11.196 -1.023 -4.434 1.00 0.00 C ATOM 790 NE ARG A 58 -12.318 -0.509 -3.651 1.00 0.00 N ATOM 791 CZ ARG A 58 -12.761 -1.065 -2.523 1.00 0.00 C ATOM 792 NH1 ARG A 58 -12.177 -2.150 -2.029 1.00 0.00 N ATOM 793 NH2 ARG A 58 -13.793 -0.530 -1.884 1.00 0.00 N ATOM 0 H ARG A 58 -8.765 2.781 -6.187 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.778 1.275 -4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.146 1.481 -5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.614 0.090 -6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.108 -1.025 -3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.016 0.287 -3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.419 -0.921 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.073 -2.088 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.792 0.328 -3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.381 -2.566 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.524 -2.567 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.246 0.305 -2.256 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.134 -0.954 -1.021 1.00 0.00 H new ATOM 807 N LEU A 59 -6.804 0.141 -7.015 1.00 0.00 N ATOM 808 CA LEU A 59 -5.923 -0.804 -7.681 1.00 0.00 C ATOM 809 C LEU A 59 -4.472 -0.652 -7.219 1.00 0.00 C ATOM 810 O LEU A 59 -3.627 -1.490 -7.530 1.00 0.00 O ATOM 811 CB LEU A 59 -6.005 -0.625 -9.197 1.00 0.00 C ATOM 812 CG LEU A 59 -6.010 0.829 -9.679 1.00 0.00 C ATOM 813 CD1 LEU A 59 -4.882 1.072 -10.668 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.353 1.181 -10.304 1.00 0.00 C ATOM 0 H LEU A 59 -7.175 0.869 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.257 -1.806 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.161 -1.141 -9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.910 -1.114 -9.557 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.852 1.475 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.904 2.111 -10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.926 0.864 -10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.006 0.416 -11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.337 2.218 -10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.541 0.526 -11.155 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.143 1.051 -9.565 1.00 0.00 H new ATOM 826 N PHE A 60 -4.185 0.419 -6.483 1.00 0.00 N ATOM 827 CA PHE A 60 -2.833 0.666 -5.994 1.00 0.00 C ATOM 828 C PHE A 60 -2.818 0.811 -4.477 1.00 0.00 C ATOM 829 O PHE A 60 -2.989 1.907 -3.944 1.00 0.00 O ATOM 830 CB PHE A 60 -2.252 1.921 -6.650 1.00 0.00 C ATOM 831 CG PHE A 60 -0.960 1.675 -7.375 1.00 0.00 C ATOM 832 CD1 PHE A 60 -0.804 0.557 -8.180 1.00 0.00 C ATOM 833 CD2 PHE A 60 0.100 2.558 -7.250 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.384 0.328 -8.848 1.00 0.00 C ATOM 835 CE2 PHE A 60 1.290 2.334 -7.915 1.00 0.00 C ATOM 836 CZ PHE A 60 1.433 1.217 -8.715 1.00 0.00 C ATOM 0 H PHE A 60 -4.868 1.127 -6.213 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.215 -0.192 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.982 2.326 -7.351 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.091 2.680 -5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.620 -0.143 -8.286 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.005 3.432 -6.625 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.492 -0.546 -9.474 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.108 3.032 -7.810 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.363 1.039 -9.235 1.00 0.00 H new ATOM 846 N TRP A 61 -2.608 -0.305 -3.788 1.00 0.00 N ATOM 847 CA TRP A 61 -2.566 -0.313 -2.331 1.00 0.00 C ATOM 848 C TRP A 61 -1.208 0.157 -1.823 1.00 0.00 C ATOM 849 O TRP A 61 -0.329 0.512 -2.608 1.00 0.00 O ATOM 850 CB TRP A 61 -2.859 -1.718 -1.799 1.00 0.00 C ATOM 851 CG TRP A 61 -4.309 -2.086 -1.858 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.254 -1.569 -2.695 1.00 0.00 C ATOM 853 CD2 TRP A 61 -4.983 -3.052 -1.042 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.470 -2.153 -2.455 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.331 -3.068 -1.444 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.576 -3.906 -0.013 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.274 -3.903 -0.852 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.513 -4.735 0.574 1.00 0.00 C ATOM 859 CH2 TRP A 61 -6.849 -4.729 0.153 1.00 0.00 C ATOM 0 H TRP A 61 -2.464 -1.219 -4.217 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.330 0.375 -1.968 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.284 -2.444 -2.374 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.516 -1.786 -0.767 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.070 -0.809 -3.440 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.337 -1.941 -2.948 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.548 -3.918 0.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.305 -3.899 -1.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.210 -5.398 1.371 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.558 -5.389 0.631 1.00 0.00 H new ATOM 870 N GLY A 62 -1.042 0.151 -0.504 1.00 0.00 N ATOM 871 CA GLY A 62 0.212 0.574 0.092 1.00 0.00 C ATOM 872 C GLY A 62 0.734 -0.430 1.100 1.00 0.00 C ATOM 873 O GLY A 62 0.022 -0.811 2.029 1.00 0.00 O ATOM 0 H GLY A 62 -1.756 -0.140 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.955 0.718 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.073 1.538 0.581 1.00 0.00 H new ATOM 877 N GLY A 63 1.979 -0.862 0.918 1.00 0.00 N ATOM 878 CA GLY A 63 2.564 -1.826 1.830 1.00 0.00 C ATOM 879 C GLY A 63 4.075 -1.888 1.726 1.00 0.00 C ATOM 880 O GLY A 63 4.715 -0.933 1.286 1.00 0.00 O ATOM 0 H GLY A 63 2.590 -0.562 0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.285 -1.569 2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.149 -2.813 1.624 1.00 0.00 H new ATOM 884 N SER A 64 4.644 -3.017 2.134 1.00 0.00 N ATOM 885 CA SER A 64 6.088 -3.211 2.089 1.00 0.00 C ATOM 886 C SER A 64 6.418 -4.697 2.067 1.00 0.00 C ATOM 887 O SER A 64 5.933 -5.457 2.904 1.00 0.00 O ATOM 888 CB SER A 64 6.754 -2.542 3.293 1.00 0.00 C ATOM 889 OG SER A 64 5.907 -1.564 3.868 1.00 0.00 O ATOM 0 H SER A 64 4.125 -3.814 2.501 1.00 0.00 H new ATOM 0 HA SER A 64 6.472 -2.751 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.003 -3.296 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.691 -2.079 2.983 1.00 0.00 H new ATOM 0 HG SER A 64 6.356 -1.153 4.636 1.00 0.00 H new ATOM 895 N VAL A 65 7.242 -5.112 1.114 1.00 0.00 N ATOM 896 CA VAL A 65 7.614 -6.495 1.000 1.00 0.00 C ATOM 897 C VAL A 65 8.604 -6.878 2.076 1.00 0.00 C ATOM 898 O VAL A 65 9.431 -6.078 2.514 1.00 0.00 O ATOM 899 CB VAL A 65 8.223 -6.841 -0.375 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.263 -7.692 -1.191 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.630 -5.596 -1.156 1.00 0.00 C ATOM 0 H VAL A 65 7.660 -4.501 0.413 1.00 0.00 H new ATOM 0 HA VAL A 65 6.690 -7.062 1.117 1.00 0.00 H new ATOM 0 HB VAL A 65 9.130 -7.415 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.713 -7.924 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.054 -8.618 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.333 -7.145 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.053 -5.891 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.754 -4.969 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.374 -5.037 -0.588 1.00 0.00 H new ATOM 911 N GLN A 66 8.495 -8.116 2.487 1.00 0.00 N ATOM 912 CA GLN A 66 9.362 -8.672 3.520 1.00 0.00 C ATOM 913 C GLN A 66 10.610 -9.301 2.907 1.00 0.00 C ATOM 914 O GLN A 66 10.621 -9.663 1.731 1.00 0.00 O ATOM 915 CB GLN A 66 8.603 -9.713 4.342 1.00 0.00 C ATOM 916 CG GLN A 66 7.232 -9.243 4.795 1.00 0.00 C ATOM 917 CD GLN A 66 6.886 -9.715 6.193 1.00 0.00 C ATOM 918 OE1 GLN A 66 5.821 -10.286 6.423 1.00 0.00 O ATOM 919 NE2 GLN A 66 7.789 -9.477 7.138 1.00 0.00 N ATOM 0 H GLN A 66 7.807 -8.774 2.122 1.00 0.00 H new ATOM 0 HA GLN A 66 9.674 -7.858 4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.490 -10.621 3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.196 -9.976 5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.197 -8.154 4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.478 -9.606 4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.660 -9.000 6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.612 -9.771 8.098 1.00 0.00 H new ATOM 928 N GLY A 67 11.659 -9.426 3.714 1.00 0.00 N ATOM 929 CA GLY A 67 12.897 -10.011 3.235 1.00 0.00 C ATOM 930 C GLY A 67 13.888 -10.269 4.354 1.00 0.00 C ATOM 931 O GLY A 67 15.045 -9.856 4.276 1.00 0.00 O ATOM 0 H GLY A 67 11.673 -9.133 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.678 -10.949 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.349 -9.345 2.500 1.00 0.00 H new ATOM 1047 N ARG A 76 11.534 -1.069 2.005 1.00 0.00 N ATOM 1048 CA ARG A 76 10.925 0.104 1.390 1.00 0.00 C ATOM 1049 C ARG A 76 9.451 -0.146 1.087 1.00 0.00 C ATOM 1050 O ARG A 76 9.077 -1.222 0.618 1.00 0.00 O ATOM 1051 CB ARG A 76 11.666 0.476 0.105 1.00 0.00 C ATOM 1052 CG ARG A 76 13.164 0.644 0.293 1.00 0.00 C ATOM 1053 CD ARG A 76 13.850 1.032 -1.007 1.00 0.00 C ATOM 1054 NE ARG A 76 13.783 2.472 -1.252 1.00 0.00 N ATOM 1055 CZ ARG A 76 14.579 3.117 -2.103 1.00 0.00 C ATOM 1056 NH1 ARG A 76 15.501 2.455 -2.791 1.00 0.00 N ATOM 1057 NH2 ARG A 76 14.452 4.426 -2.266 1.00 0.00 N ATOM 0 HA ARG A 76 10.998 0.932 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.487 -0.295 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.251 1.404 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.353 1.408 1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.591 -0.286 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.893 0.718 -0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.383 0.501 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 76 13.086 3.014 -0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.603 1.447 -2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.108 2.954 -3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.745 4.939 -1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.061 4.920 -2.918 1.00 0.00 H new ATOM 1071 N LEU A 77 8.617 0.853 1.357 1.00 0.00 N ATOM 1072 CA LEU A 77 7.184 0.740 1.111 1.00 0.00 C ATOM 1073 C LEU A 77 6.888 0.724 -0.386 1.00 0.00 C ATOM 1074 O LEU A 77 7.412 1.543 -1.140 1.00 0.00 O ATOM 1075 CB LEU A 77 6.436 1.895 1.782 1.00 0.00 C ATOM 1076 CG LEU A 77 5.598 1.504 3.001 1.00 0.00 C ATOM 1077 CD1 LEU A 77 6.390 1.710 4.282 1.00 0.00 C ATOM 1078 CD2 LEU A 77 4.303 2.304 3.038 1.00 0.00 C ATOM 0 H LEU A 77 8.909 1.750 1.746 1.00 0.00 H new ATOM 0 HA LEU A 77 6.840 -0.201 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.162 2.649 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.782 2.361 1.045 1.00 0.00 H new ATOM 0 HG LEU A 77 5.346 0.447 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.778 1.427 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.288 1.093 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.673 2.759 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.720 2.012 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.534 3.368 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.727 2.105 2.134 1.00 0.00 H new ATOM 1090 N GLY A 78 6.044 -0.212 -0.807 1.00 0.00 N ATOM 1091 CA GLY A 78 5.690 -0.317 -2.210 1.00 0.00 C ATOM 1092 C GLY A 78 4.196 -0.206 -2.440 1.00 0.00 C ATOM 1093 O GLY A 78 3.400 -0.633 -1.603 1.00 0.00 O ATOM 0 H GLY A 78 5.598 -0.901 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.200 0.467 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.045 -1.271 -2.601 1.00 0.00 H new ATOM 1097 N TYR A 79 3.812 0.369 -3.575 1.00 0.00 N ATOM 1098 CA TYR A 79 2.401 0.536 -3.908 1.00 0.00 C ATOM 1099 C TYR A 79 2.019 -0.314 -5.117 1.00 0.00 C ATOM 1100 O TYR A 79 2.500 -0.084 -6.227 1.00 0.00 O ATOM 1101 CB TYR A 79 2.093 2.008 -4.185 1.00 0.00 C ATOM 1102 CG TYR A 79 2.317 2.909 -2.992 1.00 0.00 C ATOM 1103 CD1 TYR A 79 3.585 3.065 -2.443 1.00 0.00 C ATOM 1104 CD2 TYR A 79 1.262 3.603 -2.412 1.00 0.00 C ATOM 1105 CE1 TYR A 79 3.794 3.886 -1.352 1.00 0.00 C ATOM 1106 CE2 TYR A 79 1.464 4.426 -1.320 1.00 0.00 C ATOM 1107 CZ TYR A 79 2.731 4.565 -0.795 1.00 0.00 C ATOM 1108 OH TYR A 79 2.935 5.384 0.293 1.00 0.00 O ATOM 0 H TYR A 79 4.457 0.727 -4.279 1.00 0.00 H new ATOM 0 HA TYR A 79 1.811 0.202 -3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.716 2.351 -5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.056 2.099 -4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.420 2.535 -2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.268 3.498 -2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.785 3.996 -0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.633 4.958 -0.880 1.00 0.00 H new ATOM 0 HH TYR A 79 2.084 5.789 0.562 1.00 0.00 H new ATOM 1118 N PHE A 80 1.151 -1.297 -4.893 1.00 0.00 N ATOM 1119 CA PHE A 80 0.704 -2.182 -5.963 1.00 0.00 C ATOM 1120 C PHE A 80 -0.619 -2.853 -5.598 1.00 0.00 C ATOM 1121 O PHE A 80 -0.951 -2.988 -4.420 1.00 0.00 O ATOM 1122 CB PHE A 80 1.766 -3.246 -6.248 1.00 0.00 C ATOM 1123 CG PHE A 80 2.163 -4.036 -5.034 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.280 -4.933 -4.454 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.420 -3.880 -4.472 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.644 -5.660 -3.337 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.789 -4.605 -3.355 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.900 -5.496 -2.786 1.00 0.00 C ATOM 0 H PHE A 80 0.744 -1.500 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 80 0.551 -1.580 -6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.389 -3.929 -7.009 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.651 -2.763 -6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.296 -5.065 -4.880 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.119 -3.184 -4.912 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.947 -6.356 -2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.772 -4.475 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.186 -6.063 -1.913 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.395 -3.285 -6.609 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.685 -3.946 -6.386 1.00 0.00 C ATOM 1140 C PRO A 81 -2.550 -5.201 -5.531 1.00 0.00 C ATOM 1141 O PRO A 81 -1.704 -6.057 -5.795 1.00 0.00 O ATOM 1142 CB PRO A 81 -3.167 -4.308 -7.799 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.958 -4.212 -8.666 1.00 0.00 C ATOM 1144 CD PRO A 81 -1.078 -3.168 -8.041 1.00 0.00 C ATOM 0 HA PRO A 81 -3.378 -3.302 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.590 -5.312 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.947 -3.625 -8.135 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.443 -5.171 -8.724 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.230 -3.934 -9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.023 -3.358 -8.238 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.299 -2.172 -8.424 1.00 0.00 H new ATOM 1152 N SER A 82 -3.387 -5.304 -4.504 1.00 0.00 N ATOM 1153 CA SER A 82 -3.362 -6.453 -3.606 1.00 0.00 C ATOM 1154 C SER A 82 -3.588 -7.753 -4.373 1.00 0.00 C ATOM 1155 O SER A 82 -3.122 -8.816 -3.962 1.00 0.00 O ATOM 1156 CB SER A 82 -4.426 -6.299 -2.518 1.00 0.00 C ATOM 1157 OG SER A 82 -5.731 -6.363 -3.067 1.00 0.00 O ATOM 0 H SER A 82 -4.092 -4.604 -4.273 1.00 0.00 H new ATOM 0 HA SER A 82 -2.377 -6.495 -3.141 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.303 -7.084 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.290 -5.347 -2.005 1.00 0.00 H new ATOM 0 HG SER A 82 -6.320 -5.746 -2.584 1.00 0.00 H new ATOM 1163 N SER A 83 -4.309 -7.662 -5.487 1.00 0.00 N ATOM 1164 CA SER A 83 -4.602 -8.829 -6.310 1.00 0.00 C ATOM 1165 C SER A 83 -3.335 -9.629 -6.608 1.00 0.00 C ATOM 1166 O SER A 83 -3.377 -10.853 -6.735 1.00 0.00 O ATOM 1167 CB SER A 83 -5.266 -8.402 -7.620 1.00 0.00 C ATOM 1168 OG SER A 83 -4.330 -7.794 -8.494 1.00 0.00 O ATOM 0 H SER A 83 -4.701 -6.789 -5.840 1.00 0.00 H new ATOM 0 HA SER A 83 -5.286 -9.467 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.710 -9.271 -8.106 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.077 -7.705 -7.409 1.00 0.00 H new ATOM 0 HG SER A 83 -4.780 -7.532 -9.324 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.209 -8.929 -6.716 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.936 -9.565 -6.996 1.00 0.00 C ATOM 1176 C ILE A 84 -0.496 -10.449 -5.834 1.00 0.00 C ATOM 1177 O ILE A 84 0.124 -11.492 -6.034 1.00 0.00 O ATOM 1178 CB ILE A 84 0.154 -8.516 -7.269 1.00 0.00 C ATOM 1179 CG1 ILE A 84 -0.328 -7.498 -8.306 1.00 0.00 C ATOM 1180 CG2 ILE A 84 1.422 -9.193 -7.741 1.00 0.00 C ATOM 1181 CD1 ILE A 84 0.689 -6.417 -8.606 1.00 0.00 C ATOM 0 H ILE A 84 -2.158 -7.916 -6.612 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.073 -10.183 -7.884 1.00 0.00 H new ATOM 0 HB ILE A 84 0.366 -7.985 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.575 -8.021 -9.230 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.247 -7.033 -7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.187 -8.440 -7.931 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.774 -9.882 -6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.220 -9.745 -8.659 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.282 -5.730 -9.348 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.918 -5.869 -7.692 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.600 -6.872 -8.994 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.821 -10.020 -4.620 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.461 -10.767 -3.422 1.00 0.00 C ATOM 1195 C VAL A 85 -1.680 -11.453 -2.816 1.00 0.00 C ATOM 1196 O VAL A 85 -2.796 -11.320 -3.320 1.00 0.00 O ATOM 1197 CB VAL A 85 0.177 -9.851 -2.362 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.523 -9.333 -2.842 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.758 -8.699 -2.024 1.00 0.00 C ATOM 0 H VAL A 85 -1.334 -9.157 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 85 0.265 -11.522 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 85 0.343 -10.433 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.958 -8.688 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.191 -10.174 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.387 -8.766 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.292 -8.061 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.957 -8.116 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.696 -9.094 -1.633 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.460 -12.181 -1.727 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.537 -12.884 -1.043 1.00 0.00 C ATOM 1211 C ARG A 86 -2.401 -12.729 0.467 1.00 0.00 C ATOM 1212 O ARG A 86 -1.511 -13.318 1.083 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.531 -14.367 -1.420 1.00 0.00 C ATOM 1214 CG ARG A 86 -1.155 -15.010 -1.341 1.00 0.00 C ATOM 1215 CD ARG A 86 -1.005 -15.868 -0.094 1.00 0.00 C ATOM 1216 NE ARG A 86 -0.646 -17.246 -0.417 1.00 0.00 N ATOM 1217 CZ ARG A 86 -0.484 -18.203 0.494 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -0.647 -17.936 1.783 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -0.157 -19.431 0.114 1.00 0.00 N ATOM 0 H ARG A 86 -0.542 -12.299 -1.298 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.485 -12.446 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.212 -14.904 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.917 -14.477 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.989 -15.623 -2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.390 -14.234 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.241 -15.437 0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.940 -15.859 0.467 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.511 -17.490 -1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.898 -16.993 2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.522 -18.673 2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.030 -19.642 -0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.033 -20.165 0.812 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.279 -11.927 1.057 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.247 -11.689 2.494 1.00 0.00 C ATOM 1235 C GLU A 87 -3.706 -12.923 3.264 1.00 0.00 C ATOM 1236 O GLU A 87 -4.719 -13.536 2.928 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.126 -10.491 2.855 1.00 0.00 C ATOM 1238 CG GLU A 87 -5.586 -10.666 2.467 1.00 0.00 C ATOM 1239 CD GLU A 87 -6.422 -9.439 2.775 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -6.155 -8.374 2.181 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -7.344 -9.544 3.611 1.00 0.00 O ATOM 0 H GLU A 87 -4.021 -11.431 0.563 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.217 -11.472 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.063 -10.316 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.732 -9.601 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.651 -10.887 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.999 -11.525 2.997 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.950 -13.280 4.298 1.00 0.00 N ATOM 1249 CA ASP A 88 -3.278 -14.441 5.116 1.00 0.00 C ATOM 1250 C ASP A 88 -3.300 -14.082 6.594 1.00 0.00 C ATOM 1251 O ASP A 88 -4.206 -14.473 7.329 1.00 0.00 O ATOM 1252 CB ASP A 88 -2.276 -15.570 4.864 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.956 -16.904 4.625 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.284 -17.590 5.616 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -3.161 -17.262 3.445 1.00 0.00 O ATOM 0 H ASP A 88 -2.108 -12.783 4.588 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.274 -14.780 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.660 -15.319 4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.606 -15.655 5.719 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.292 -13.340 7.022 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.173 -12.924 8.403 1.00 0.00 C ATOM 1262 C GLN A 89 -2.671 -11.496 8.580 1.00 0.00 C ATOM 1263 O GLN A 89 -1.884 -10.549 8.563 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.716 -13.028 8.822 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.501 -12.990 10.326 1.00 0.00 C ATOM 1266 CD GLN A 89 0.800 -12.314 10.713 1.00 0.00 C ATOM 1267 OE1 GLN A 89 1.107 -11.218 10.243 1.00 0.00 O ATOM 1268 NE2 GLN A 89 1.571 -12.965 11.576 1.00 0.00 N ATOM 0 H GLN A 89 -1.536 -13.011 6.421 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.785 -13.572 9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.301 -13.956 8.429 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.158 -12.211 8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.333 -12.464 10.795 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.507 -14.008 10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.277 -13.871 11.940 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.458 -12.559 11.875 1.00 0.00 H new ATOM 1277 N THR A 90 -3.979 -11.344 8.740 1.00 0.00 N ATOM 1278 CA THR A 90 -4.572 -10.025 8.909 1.00 0.00 C ATOM 1279 C THR A 90 -4.589 -9.606 10.370 1.00 0.00 C ATOM 1280 O THR A 90 -4.680 -10.439 11.272 1.00 0.00 O ATOM 1281 CB THR A 90 -5.986 -9.986 8.342 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.717 -11.138 8.724 1.00 0.00 O ATOM 1283 CG2 THR A 90 -6.023 -9.894 6.833 1.00 0.00 C ATOM 0 H THR A 90 -4.647 -12.115 8.756 1.00 0.00 H new ATOM 0 HA THR A 90 -3.951 -9.319 8.357 1.00 0.00 H new ATOM 0 HB THR A 90 -6.436 -9.083 8.755 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.622 -11.090 8.350 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.059 -9.870 6.495 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.515 -8.985 6.511 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.521 -10.761 6.403 1.00 0.00 H new ATOM 1291 N LEU A 91 -4.495 -8.302 10.590 1.00 0.00 N ATOM 1292 CA LEU A 91 -4.494 -7.749 11.936 1.00 0.00 C ATOM 1293 C LEU A 91 -5.030 -6.320 11.939 1.00 0.00 C ATOM 1294 O LEU A 91 -4.704 -5.530 12.822 1.00 0.00 O ATOM 1295 CB LEU A 91 -3.077 -7.774 12.508 1.00 0.00 C ATOM 1296 CG LEU A 91 -2.989 -7.997 14.019 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -1.639 -8.587 14.392 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -3.229 -6.693 14.764 1.00 0.00 C ATOM 0 H LEU A 91 -4.418 -7.605 9.849 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.146 -8.361 12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.514 -8.562 12.007 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.588 -6.830 12.267 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.764 -8.706 14.310 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.594 -8.739 15.470 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.507 -9.543 13.885 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.847 -7.903 14.089 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.163 -6.870 15.838 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.476 -5.962 14.470 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.220 -6.311 14.520 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.850 -5.993 10.945 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.422 -4.653 10.840 1.00 0.00 C ATOM 1312 C LYS A 92 -7.412 -4.386 11.974 1.00 0.00 C ATOM 1313 O LYS A 92 -8.497 -4.968 12.006 1.00 0.00 O ATOM 1314 CB LYS A 92 -7.126 -4.481 9.492 1.00 0.00 C ATOM 1315 CG LYS A 92 -8.203 -5.522 9.230 1.00 0.00 C ATOM 1316 CD LYS A 92 -9.592 -4.904 9.233 1.00 0.00 C ATOM 1317 CE LYS A 92 -10.478 -5.521 8.163 1.00 0.00 C ATOM 1318 NZ LYS A 92 -11.815 -4.866 8.101 1.00 0.00 N ATOM 0 H LYS A 92 -6.133 -6.634 10.203 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.606 -3.935 10.917 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.574 -3.488 9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.384 -4.530 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.020 -6.002 8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.149 -6.301 9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.051 -5.043 10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.514 -3.830 9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.988 -5.437 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.604 -6.585 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -12.388 -5.316 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.294 -4.968 9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.697 -3.856 7.882 1.00 0.00 H new ATOM 1332 N PRO A 93 -7.061 -3.492 12.918 1.00 0.00 N ATOM 1333 CA PRO A 93 -7.933 -3.152 14.040 1.00 0.00 C ATOM 1334 C PRO A 93 -8.994 -2.132 13.644 1.00 0.00 C ATOM 1335 O PRO A 93 -10.097 -2.118 14.190 1.00 0.00 O ATOM 1336 CB PRO A 93 -6.964 -2.552 15.053 1.00 0.00 C ATOM 1337 CG PRO A 93 -5.911 -1.906 14.219 1.00 0.00 C ATOM 1338 CD PRO A 93 -5.793 -2.736 12.964 1.00 0.00 C ATOM 0 HA PRO A 93 -8.488 -4.011 14.416 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.461 -1.827 15.698 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.542 -3.319 15.702 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.181 -0.877 13.980 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.961 -1.870 14.752 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.669 -2.109 12.081 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.932 -3.403 13.005 1.00 0.00 H new ATOM 1346 N GLY A 94 -8.648 -1.283 12.683 1.00 0.00 N ATOM 1347 CA GLY A 94 -9.572 -0.267 12.212 1.00 0.00 C ATOM 1348 C GLY A 94 -9.651 -0.223 10.699 1.00 0.00 C ATOM 1349 O GLY A 94 -8.802 -0.790 10.011 1.00 0.00 O ATOM 0 H GLY A 94 -7.739 -1.280 12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.563 -0.462 12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.259 0.708 12.586 1.00 0.00 H new ATOM 1353 N LYS A 95 -10.665 0.457 10.177 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.844 0.579 8.746 1.00 0.00 C ATOM 1355 C LYS A 95 -11.551 1.884 8.398 1.00 0.00 C ATOM 1356 O LYS A 95 -12.519 1.896 7.638 1.00 0.00 O ATOM 1357 CB LYS A 95 -11.629 -0.614 8.197 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.976 -0.818 8.871 1.00 0.00 C ATOM 1359 CD LYS A 95 -13.940 -1.571 7.970 1.00 0.00 C ATOM 1360 CE LYS A 95 -15.270 -1.820 8.662 1.00 0.00 C ATOM 1361 NZ LYS A 95 -15.113 -2.673 9.873 1.00 0.00 N ATOM 0 H LYS A 95 -11.376 0.933 10.732 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.858 0.588 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.785 -0.475 7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -11.031 -1.518 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.839 -1.370 9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.403 0.150 9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.105 -1.001 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.497 -2.523 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -15.717 -0.867 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.958 -2.300 7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.047 -3.002 10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.516 -3.494 9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.665 -2.120 10.632 1.00 0.00 H new ATOM 1375 N VAL A 96 -11.060 2.979 8.961 1.00 0.00 N ATOM 1376 CA VAL A 96 -11.642 4.289 8.714 1.00 0.00 C ATOM 1377 C VAL A 96 -10.889 5.012 7.609 1.00 0.00 C ATOM 1378 O VAL A 96 -9.665 4.924 7.517 1.00 0.00 O ATOM 1379 CB VAL A 96 -11.637 5.165 9.980 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -12.502 6.401 9.777 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -12.112 4.366 11.186 1.00 0.00 C ATOM 0 H VAL A 96 -10.259 2.985 9.593 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.675 4.123 8.409 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.614 5.491 10.169 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.487 7.008 10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.113 6.984 8.942 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.526 6.097 9.561 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.101 5.002 12.071 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.126 4.008 11.009 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.449 3.515 11.343 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.630 5.719 6.771 1.00 0.00 N ATOM 1392 CA ASP A 97 -11.044 6.451 5.664 1.00 0.00 C ATOM 1393 C ASP A 97 -10.332 7.703 6.151 1.00 0.00 C ATOM 1394 O ASP A 97 -10.661 8.260 7.198 1.00 0.00 O ATOM 1395 CB ASP A 97 -12.123 6.824 4.646 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.539 7.343 3.346 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -10.312 7.215 3.151 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -12.311 7.877 2.522 1.00 0.00 O ATOM 0 H ASP A 97 -12.644 5.800 6.839 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.308 5.805 5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.741 5.950 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.777 7.583 5.076 1.00 0.00 H new ATOM 1403 N VAL A 98 -9.351 8.133 5.375 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.568 9.317 5.699 1.00 0.00 C ATOM 1405 C VAL A 98 -8.172 10.070 4.434 1.00 0.00 C ATOM 1406 O VAL A 98 -7.434 9.550 3.598 1.00 0.00 O ATOM 1407 CB VAL A 98 -7.297 8.947 6.485 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -6.611 10.197 7.013 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -7.633 7.992 7.619 1.00 0.00 C ATOM 0 H VAL A 98 -9.075 7.675 4.507 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.195 9.958 6.319 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.606 8.443 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.715 9.914 7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.334 10.841 6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.291 10.733 7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.723 7.741 8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.343 8.467 8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.074 7.083 7.210 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.673 11.292 4.293 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.374 12.108 3.123 1.00 0.00 C ATOM 1421 C LYS A 99 -6.998 12.759 3.239 1.00 0.00 C ATOM 1422 O LYS A 99 -6.808 13.699 4.012 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.445 13.183 2.940 1.00 0.00 C ATOM 1424 CG LYS A 99 -10.842 12.619 2.741 1.00 0.00 C ATOM 1425 CD LYS A 99 -11.504 12.289 4.070 1.00 0.00 C ATOM 1426 CE LYS A 99 -12.942 12.781 4.113 1.00 0.00 C ATOM 1427 NZ LYS A 99 -13.623 12.401 5.383 1.00 0.00 N ATOM 0 H LYS A 99 -9.287 11.739 4.974 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.369 11.454 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.446 13.836 3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.185 13.801 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.453 13.340 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.789 11.720 2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.482 11.211 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.938 12.744 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.958 13.865 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.492 12.367 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.601 12.755 5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.631 11.365 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.113 12.817 6.188 1.00 0.00 H new ATOM 1441 N THR A 100 -6.044 12.253 2.464 1.00 0.00 N ATOM 1442 CA THR A 100 -4.688 12.784 2.474 1.00 0.00 C ATOM 1443 C THR A 100 -4.601 14.067 1.652 1.00 0.00 C ATOM 1444 O THR A 100 -5.508 14.384 0.882 1.00 0.00 O ATOM 1445 CB THR A 100 -3.716 11.738 1.925 1.00 0.00 C ATOM 1446 OG1 THR A 100 -2.373 12.125 2.158 1.00 0.00 O ATOM 1447 CG2 THR A 100 -3.873 11.486 0.439 1.00 0.00 C ATOM 0 H THR A 100 -6.187 11.475 1.821 1.00 0.00 H new ATOM 0 HA THR A 100 -4.416 13.020 3.503 1.00 0.00 H new ATOM 0 HB THR A 100 -3.959 10.818 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.769 11.441 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.152 10.734 0.119 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.883 11.131 0.235 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.697 12.412 -0.108 1.00 0.00 H new