USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 LYS NZ :NH3+ -108:sc= 0.953 (180deg=-0.202) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.27 USER MOD Set 2.1: A 55 GLN : amide:sc= 0.612 K(o=0.55,f=1.2) USER MOD Set 2.2: A 57 TYR OH : rot -58:sc= -0.0587 USER MOD Set 3.1: A 34 HIS : no HE2:sc= 0.594 K(o=0.61,f=-2.8!) USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 2 HIS : no HD1:sc= -1.35 X(o=-1.4,f=-1.2) USER MOD Single : A 4 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.14) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 11 GLN : amide:sc= 0.384 K(o=0.38,f=-5.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 40 CYS SG : rot 29:sc= 0.0445 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.0066) USER MOD Single : A 63 SER OG : rot 6:sc= 0.643 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -159:sc= -0.215 (180deg=-0.727) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 126:sc= 1.12 USER MOD Single : A 99 HIS : no HE2:sc= -0.241 K(o=-0.24,f=-2!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 2.145 -20.532 1.455 1.00 0.00 N ATOM 9 CA HIS A 2 1.908 -19.099 1.669 1.00 0.00 C ATOM 10 C HIS A 2 2.279 -18.657 3.093 1.00 0.00 C ATOM 11 O HIS A 2 2.853 -19.434 3.867 1.00 0.00 O ATOM 12 CB HIS A 2 0.492 -18.665 1.215 1.00 0.00 C ATOM 13 CG HIS A 2 0.150 -19.060 -0.189 1.00 0.00 C ATOM 14 ND1 HIS A 2 -0.179 -20.302 -0.678 1.00 0.00 N ATOM 15 CD2 HIS A 2 0.086 -18.185 -1.222 1.00 0.00 C ATOM 16 CE1 HIS A 2 -0.416 -20.169 -1.991 1.00 0.00 C ATOM 17 NE2 HIS A 2 -0.208 -18.901 -2.386 1.00 0.00 N ATOM 0 HA HIS A 2 2.591 -18.554 1.017 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.244 -19.099 1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.409 -17.582 1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 2 0.236 -17.117 -1.157 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -0.731 -20.971 -2.642 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.255 -18.537 -3.338 1.00 0.00 H new ATOM 25 N VAL A 3 2.044 -17.384 3.408 1.00 0.00 N ATOM 26 CA VAL A 3 2.332 -16.753 4.689 1.00 0.00 C ATOM 27 C VAL A 3 1.197 -15.777 4.984 1.00 0.00 C ATOM 28 O VAL A 3 0.881 -14.970 4.113 1.00 0.00 O ATOM 29 CB VAL A 3 3.704 -16.035 4.667 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.713 -16.829 5.511 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.299 -15.790 3.270 1.00 0.00 C ATOM 0 H VAL A 3 1.627 -16.735 2.741 1.00 0.00 H new ATOM 0 HA VAL A 3 2.395 -17.505 5.475 1.00 0.00 H new ATOM 0 HB VAL A 3 3.514 -15.045 5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.678 -16.323 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.355 -16.896 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.822 -17.832 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.259 -15.282 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.443 -16.744 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.618 -15.169 2.688 1.00 0.00 H new ATOM 41 N GLN A 4 0.553 -15.873 6.151 1.00 0.00 N ATOM 42 CA GLN A 4 -0.504 -14.948 6.553 1.00 0.00 C ATOM 43 C GLN A 4 0.134 -13.618 6.958 1.00 0.00 C ATOM 44 O GLN A 4 1.240 -13.601 7.512 1.00 0.00 O ATOM 45 CB GLN A 4 -1.373 -15.536 7.694 1.00 0.00 C ATOM 46 CG GLN A 4 -2.873 -15.561 7.325 1.00 0.00 C ATOM 47 CD GLN A 4 -3.870 -15.676 8.488 1.00 0.00 C ATOM 48 OE1 GLN A 4 -5.029 -16.037 8.270 1.00 0.00 O ATOM 49 NE2 GLN A 4 -3.523 -15.362 9.724 1.00 0.00 N ATOM 0 H GLN A 4 0.752 -16.596 6.842 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.177 -14.782 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.038 -16.548 7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.232 -14.945 8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.102 -14.651 6.770 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.043 -16.398 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.569 -15.061 9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.209 -15.421 10.477 1.00 0.00 H new ATOM 58 N LEU A 5 -0.576 -12.513 6.701 1.00 0.00 N ATOM 59 CA LEU A 5 -0.245 -11.183 7.188 1.00 0.00 C ATOM 60 C LEU A 5 -1.516 -10.400 7.484 1.00 0.00 C ATOM 61 O LEU A 5 -2.356 -10.228 6.594 1.00 0.00 O ATOM 62 CB LEU A 5 0.618 -10.370 6.202 1.00 0.00 C ATOM 63 CG LEU A 5 2.027 -10.919 5.908 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.650 -10.134 4.754 1.00 0.00 C ATOM 65 CD2 LEU A 5 2.958 -10.797 7.118 1.00 0.00 C ATOM 0 H LEU A 5 -1.421 -12.528 6.130 1.00 0.00 H new ATOM 0 HA LEU A 5 0.340 -11.331 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.078 -10.294 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.721 -9.358 6.593 1.00 0.00 H new ATOM 0 HG LEU A 5 1.915 -11.974 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.647 -10.522 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.027 -10.238 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.721 -9.081 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.940 -11.197 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.055 -9.748 7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.543 -11.359 7.954 1.00 0.00 H new ATOM 77 N SER A 6 -1.631 -9.881 8.705 1.00 0.00 N ATOM 78 CA SER A 6 -2.657 -8.905 9.034 1.00 0.00 C ATOM 79 C SER A 6 -2.244 -7.509 8.561 1.00 0.00 C ATOM 80 O SER A 6 -1.074 -7.271 8.256 1.00 0.00 O ATOM 81 CB SER A 6 -2.965 -8.886 10.529 1.00 0.00 C ATOM 82 OG SER A 6 -2.358 -9.912 11.296 1.00 0.00 O ATOM 0 H SER A 6 -1.020 -10.125 9.484 1.00 0.00 H new ATOM 0 HA SER A 6 -3.567 -9.202 8.512 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.653 -7.923 10.933 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.045 -8.951 10.659 1.00 0.00 H new ATOM 0 HG SER A 6 -2.614 -9.812 12.237 1.00 0.00 H new ATOM 88 N LEU A 7 -3.183 -6.557 8.561 1.00 0.00 N ATOM 89 CA LEU A 7 -2.913 -5.120 8.505 1.00 0.00 C ATOM 90 C LEU A 7 -3.952 -4.394 9.355 1.00 0.00 C ATOM 91 O LEU A 7 -5.080 -4.883 9.434 1.00 0.00 O ATOM 92 CB LEU A 7 -3.003 -4.584 7.063 1.00 0.00 C ATOM 93 CG LEU A 7 -1.903 -5.080 6.110 1.00 0.00 C ATOM 94 CD1 LEU A 7 -2.245 -4.693 4.674 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.532 -4.504 6.468 1.00 0.00 C ATOM 0 H LEU A 7 -4.179 -6.773 8.601 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.903 -4.947 8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.972 -4.862 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.970 -3.495 7.095 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.854 -6.164 6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.461 -5.048 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.195 -5.146 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.323 -3.608 4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.215 -4.881 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.568 -3.416 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.265 -4.804 7.481 1.00 0.00 H new ATOM 107 N PRO A 8 -3.632 -3.232 9.950 1.00 0.00 N ATOM 108 CA PRO A 8 -4.643 -2.313 10.448 1.00 0.00 C ATOM 109 C PRO A 8 -5.387 -1.702 9.254 1.00 0.00 C ATOM 110 O PRO A 8 -4.849 -1.645 8.144 1.00 0.00 O ATOM 111 CB PRO A 8 -3.851 -1.268 11.244 1.00 0.00 C ATOM 112 CG PRO A 8 -2.525 -1.178 10.496 1.00 0.00 C ATOM 113 CD PRO A 8 -2.311 -2.620 10.037 1.00 0.00 C ATOM 0 HA PRO A 8 -5.401 -2.780 11.076 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.365 -0.307 11.266 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.707 -1.577 12.279 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.579 -0.487 9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.717 -0.832 11.141 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.807 -2.648 9.071 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.679 -3.161 10.742 1.00 0.00 H new ATOM 121 N VAL A 9 -6.602 -1.216 9.485 1.00 0.00 N ATOM 122 CA VAL A 9 -7.356 -0.400 8.545 1.00 0.00 C ATOM 123 C VAL A 9 -7.383 0.989 9.167 1.00 0.00 C ATOM 124 O VAL A 9 -7.778 1.120 10.330 1.00 0.00 O ATOM 125 CB VAL A 9 -8.769 -0.965 8.291 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.412 -0.269 7.086 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.750 -2.478 8.004 1.00 0.00 C ATOM 0 H VAL A 9 -7.102 -1.385 10.358 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.895 -0.384 7.557 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.342 -0.782 9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.408 -0.678 6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.487 0.801 7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.799 -0.434 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.768 -2.828 7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.144 -2.673 7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.324 -3.005 8.858 1.00 0.00 H new ATOM 137 N LEU A 10 -6.911 1.987 8.421 1.00 0.00 N ATOM 138 CA LEU A 10 -6.793 3.385 8.839 1.00 0.00 C ATOM 139 C LEU A 10 -7.670 4.187 7.872 1.00 0.00 C ATOM 140 O LEU A 10 -7.663 3.860 6.681 1.00 0.00 O ATOM 141 CB LEU A 10 -5.318 3.847 8.770 1.00 0.00 C ATOM 142 CG LEU A 10 -4.264 2.904 9.403 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.836 3.358 9.089 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.437 2.782 10.916 1.00 0.00 C ATOM 0 H LEU A 10 -6.586 1.837 7.466 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.115 3.528 9.870 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.056 3.995 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.242 4.819 9.258 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.429 1.924 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.126 2.671 9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.685 3.365 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.678 4.362 9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.677 2.111 11.316 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.332 3.765 11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.426 2.382 11.138 1.00 0.00 H new ATOM 156 N GLN A 11 -8.428 5.189 8.341 1.00 0.00 N ATOM 157 CA GLN A 11 -9.353 5.941 7.486 1.00 0.00 C ATOM 158 C GLN A 11 -8.561 6.580 6.358 1.00 0.00 C ATOM 159 O GLN A 11 -7.514 7.177 6.610 1.00 0.00 O ATOM 160 CB GLN A 11 -10.119 7.046 8.249 1.00 0.00 C ATOM 161 CG GLN A 11 -11.271 6.491 9.087 1.00 0.00 C ATOM 162 CD GLN A 11 -12.527 7.360 9.049 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.628 8.434 9.646 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.543 6.901 8.348 1.00 0.00 N ATOM 0 H GLN A 11 -8.417 5.497 9.313 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.095 5.237 7.109 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.426 7.581 8.899 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.510 7.771 7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.520 5.491 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.941 6.388 10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.461 6.013 7.853 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.411 7.434 8.300 1.00 0.00 H new ATOM 173 N VAL A 12 -9.098 6.569 5.137 1.00 0.00 N ATOM 174 CA VAL A 12 -8.419 7.122 3.972 1.00 0.00 C ATOM 175 C VAL A 12 -8.063 8.574 4.237 1.00 0.00 C ATOM 176 O VAL A 12 -7.050 9.047 3.730 1.00 0.00 O ATOM 177 CB VAL A 12 -9.317 6.970 2.725 1.00 0.00 C ATOM 178 CG1 VAL A 12 -10.546 7.895 2.657 1.00 0.00 C ATOM 179 CG2 VAL A 12 -8.481 7.230 1.479 1.00 0.00 C ATOM 0 H VAL A 12 -10.016 6.176 4.931 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.494 6.578 3.783 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.705 5.954 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.099 7.698 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.190 7.708 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.220 8.935 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.107 7.125 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.074 8.240 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.663 6.511 1.433 1.00 0.00 H new ATOM 189 N ARG A 13 -8.873 9.279 5.036 1.00 0.00 N ATOM 190 CA ARG A 13 -8.644 10.686 5.293 1.00 0.00 C ATOM 191 C ARG A 13 -7.635 10.920 6.422 1.00 0.00 C ATOM 192 O ARG A 13 -7.079 12.013 6.475 1.00 0.00 O ATOM 193 CB ARG A 13 -9.974 11.423 5.513 1.00 0.00 C ATOM 194 CG ARG A 13 -10.776 10.845 6.686 1.00 0.00 C ATOM 195 CD ARG A 13 -11.354 11.924 7.602 1.00 0.00 C ATOM 196 NE ARG A 13 -11.621 11.322 8.912 1.00 0.00 N ATOM 197 CZ ARG A 13 -10.706 11.150 9.875 1.00 0.00 C ATOM 198 NH1 ARG A 13 -9.541 11.792 9.838 1.00 0.00 N ATOM 199 NH2 ARG A 13 -10.954 10.303 10.861 1.00 0.00 N ATOM 0 H ARG A 13 -9.688 8.890 5.510 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.182 11.115 4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.775 12.479 5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.573 11.366 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.589 10.233 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.133 10.187 7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.653 12.753 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.272 12.331 7.177 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.573 11.011 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.333 12.427 9.068 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.856 11.649 10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.835 9.789 10.882 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.264 10.164 11.600 1.00 0.00 H new ATOM 213 N ASP A 14 -7.372 9.960 7.314 1.00 0.00 N ATOM 214 CA ASP A 14 -6.420 10.128 8.427 1.00 0.00 C ATOM 215 C ASP A 14 -4.978 10.094 7.924 1.00 0.00 C ATOM 216 O ASP A 14 -4.110 10.788 8.442 1.00 0.00 O ATOM 217 CB ASP A 14 -6.579 9.000 9.474 1.00 0.00 C ATOM 218 CG ASP A 14 -7.240 9.412 10.794 1.00 0.00 C ATOM 219 OD1 ASP A 14 -7.406 10.620 11.078 1.00 0.00 O ATOM 220 OD2 ASP A 14 -7.590 8.518 11.590 1.00 0.00 O ATOM 0 H ASP A 14 -7.812 9.040 7.288 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.638 11.094 8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.166 8.196 9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.593 8.591 9.694 1.00 0.00 H new ATOM 225 N VAL A 15 -4.731 9.262 6.923 1.00 0.00 N ATOM 226 CA VAL A 15 -3.459 8.858 6.345 1.00 0.00 C ATOM 227 C VAL A 15 -2.723 9.935 5.588 1.00 0.00 C ATOM 228 O VAL A 15 -2.768 9.922 4.376 1.00 0.00 O ATOM 229 CB VAL A 15 -3.639 7.545 5.549 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.321 6.940 5.071 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.314 6.425 6.363 1.00 0.00 C ATOM 0 H VAL A 15 -5.505 8.803 6.443 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.783 8.666 7.178 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.260 7.860 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.521 6.021 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.810 7.649 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.690 6.717 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.409 5.533 5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.708 6.196 7.239 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.303 6.753 6.682 1.00 0.00 H new ATOM 241 N LEU A 16 -2.252 10.990 6.232 1.00 0.00 N ATOM 242 CA LEU A 16 -1.399 12.001 5.632 1.00 0.00 C ATOM 243 C LEU A 16 -0.578 11.546 4.431 1.00 0.00 C ATOM 244 O LEU A 16 -0.543 12.274 3.442 1.00 0.00 O ATOM 245 CB LEU A 16 -0.501 12.714 6.618 1.00 0.00 C ATOM 246 CG LEU A 16 0.330 11.967 7.658 1.00 0.00 C ATOM 247 CD1 LEU A 16 1.227 12.964 8.395 1.00 0.00 C ATOM 248 CD2 LEU A 16 -0.637 11.360 8.657 1.00 0.00 C ATOM 0 H LEU A 16 -2.459 11.171 7.214 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.137 12.709 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.197 13.310 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.133 13.413 7.167 1.00 0.00 H new ATOM 0 HG LEU A 16 0.945 11.202 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.823 12.436 9.139 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.889 13.454 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.609 13.713 8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.079 10.816 9.419 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.218 12.153 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.310 10.675 8.142 1.00 0.00 H new ATOM 260 N VAL A 17 0.042 10.370 4.488 1.00 0.00 N ATOM 261 CA VAL A 17 0.958 9.916 3.455 1.00 0.00 C ATOM 262 C VAL A 17 0.353 8.694 2.776 1.00 0.00 C ATOM 263 O VAL A 17 0.471 7.562 3.254 1.00 0.00 O ATOM 264 CB VAL A 17 2.376 9.679 4.018 1.00 0.00 C ATOM 265 CG1 VAL A 17 3.456 9.933 2.957 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.671 10.540 5.247 1.00 0.00 C ATOM 0 H VAL A 17 -0.079 9.707 5.254 1.00 0.00 H new ATOM 0 HA VAL A 17 1.089 10.689 2.698 1.00 0.00 H new ATOM 0 HB VAL A 17 2.402 8.631 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.440 9.756 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.304 9.259 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.392 10.965 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.681 10.334 5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.588 11.594 4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.955 10.307 6.035 1.00 0.00 H new ATOM 276 N ARG A 18 -0.349 8.910 1.665 1.00 0.00 N ATOM 277 CA ARG A 18 -1.157 7.874 1.004 1.00 0.00 C ATOM 278 C ARG A 18 -0.364 7.260 -0.151 1.00 0.00 C ATOM 279 O ARG A 18 -0.968 6.696 -1.064 1.00 0.00 O ATOM 280 CB ARG A 18 -2.553 8.403 0.587 1.00 0.00 C ATOM 281 CG ARG A 18 -3.180 9.174 1.736 1.00 0.00 C ATOM 282 CD ARG A 18 -4.447 9.993 1.517 1.00 0.00 C ATOM 283 NE ARG A 18 -4.263 11.323 2.120 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.651 11.856 3.287 1.00 0.00 C ATOM 285 NH1 ARG A 18 -5.553 11.283 4.062 1.00 0.00 N ATOM 286 NH2 ARG A 18 -4.125 13.000 3.706 1.00 0.00 N ATOM 0 H ARG A 18 -0.377 9.813 1.191 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.364 7.075 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.461 9.048 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.197 7.571 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.394 8.455 2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.420 9.854 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.656 10.088 0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.304 9.490 1.966 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.735 11.968 1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.982 10.402 3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.821 11.721 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.423 13.476 3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.422 13.403 4.595 1.00 0.00 H new ATOM 300 N GLY A 19 0.958 7.441 -0.185 1.00 0.00 N ATOM 301 CA GLY A 19 1.794 7.113 -1.319 1.00 0.00 C ATOM 302 C GLY A 19 3.211 7.037 -0.799 1.00 0.00 C ATOM 303 O GLY A 19 3.825 8.079 -0.566 1.00 0.00 O ATOM 0 H GLY A 19 1.480 7.830 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.492 6.164 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.707 7.871 -2.098 1.00 0.00 H new ATOM 307 N PHE A 20 3.675 5.803 -0.564 1.00 0.00 N ATOM 308 CA PHE A 20 4.930 5.468 0.114 1.00 0.00 C ATOM 309 C PHE A 20 6.063 6.423 -0.263 1.00 0.00 C ATOM 310 O PHE A 20 6.704 7.002 0.619 1.00 0.00 O ATOM 311 CB PHE A 20 5.306 4.013 -0.139 1.00 0.00 C ATOM 312 CG PHE A 20 4.615 2.961 0.717 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.955 2.803 2.075 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.667 2.094 0.139 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.304 1.831 2.852 1.00 0.00 C ATOM 316 CE2 PHE A 20 3.009 1.130 0.922 1.00 0.00 C ATOM 317 CZ PHE A 20 3.327 1.001 2.283 1.00 0.00 C ATOM 0 H PHE A 20 3.160 4.973 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 20 4.769 5.592 1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.100 3.787 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.382 3.912 0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.716 3.429 2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.444 2.171 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.558 1.722 3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.261 0.490 0.478 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.821 0.265 2.890 1.00 0.00 H new ATOM 327 N GLY A 21 6.228 6.619 -1.565 1.00 0.00 N ATOM 328 CA GLY A 21 6.921 7.715 -2.187 1.00 0.00 C ATOM 329 C GLY A 21 5.992 8.187 -3.287 1.00 0.00 C ATOM 330 O GLY A 21 4.882 7.674 -3.461 1.00 0.00 O ATOM 0 H GLY A 21 5.851 5.966 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.124 8.512 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.882 7.397 -2.591 1.00 0.00 H new ATOM 334 N ASP A 22 6.462 9.145 -4.059 1.00 0.00 N ATOM 335 CA ASP A 22 5.655 9.799 -5.068 1.00 0.00 C ATOM 336 C ASP A 22 5.659 9.033 -6.400 1.00 0.00 C ATOM 337 O ASP A 22 4.975 9.445 -7.341 1.00 0.00 O ATOM 338 CB ASP A 22 6.134 11.246 -5.207 1.00 0.00 C ATOM 339 CG ASP A 22 5.558 12.174 -4.133 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.866 12.009 -2.928 1.00 0.00 O ATOM 341 OD2 ASP A 22 4.837 13.135 -4.480 1.00 0.00 O ATOM 0 H ASP A 22 7.419 9.493 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 22 4.611 9.805 -4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.222 11.269 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.855 11.622 -6.191 1.00 0.00 H new ATOM 346 N SER A 23 6.374 7.902 -6.485 1.00 0.00 N ATOM 347 CA SER A 23 6.526 7.114 -7.709 1.00 0.00 C ATOM 348 C SER A 23 6.058 5.669 -7.503 1.00 0.00 C ATOM 349 O SER A 23 6.108 5.157 -6.386 1.00 0.00 O ATOM 350 CB SER A 23 7.985 7.155 -8.180 1.00 0.00 C ATOM 351 OG SER A 23 8.727 8.246 -7.646 1.00 0.00 O ATOM 0 H SER A 23 6.871 7.505 -5.688 1.00 0.00 H new ATOM 0 HA SER A 23 5.895 7.554 -8.481 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.475 6.222 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.005 7.211 -9.268 1.00 0.00 H new ATOM 0 HG SER A 23 9.646 8.213 -7.983 1.00 0.00 H new ATOM 357 N VAL A 24 5.621 4.987 -8.566 1.00 0.00 N ATOM 358 CA VAL A 24 5.148 3.602 -8.486 1.00 0.00 C ATOM 359 C VAL A 24 6.309 2.689 -8.112 1.00 0.00 C ATOM 360 O VAL A 24 6.164 1.868 -7.209 1.00 0.00 O ATOM 361 CB VAL A 24 4.378 3.152 -9.757 1.00 0.00 C ATOM 362 CG1 VAL A 24 4.635 4.015 -10.988 1.00 0.00 C ATOM 363 CG2 VAL A 24 4.642 1.705 -10.202 1.00 0.00 C ATOM 0 H VAL A 24 5.585 5.380 -9.507 1.00 0.00 H new ATOM 0 HA VAL A 24 4.404 3.531 -7.693 1.00 0.00 H new ATOM 0 HB VAL A 24 3.349 3.258 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.058 3.630 -11.829 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.334 5.042 -10.782 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.696 3.990 -11.234 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.059 1.487 -11.097 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.702 1.579 -10.420 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.352 1.021 -9.405 1.00 0.00 H new ATOM 373 N GLU A 25 7.446 2.804 -8.801 1.00 0.00 N ATOM 374 CA GLU A 25 8.557 1.881 -8.613 1.00 0.00 C ATOM 375 C GLU A 25 9.189 2.071 -7.231 1.00 0.00 C ATOM 376 O GLU A 25 9.715 1.122 -6.647 1.00 0.00 O ATOM 377 CB GLU A 25 9.563 2.060 -9.760 1.00 0.00 C ATOM 378 CG GLU A 25 8.900 1.705 -11.109 1.00 0.00 C ATOM 379 CD GLU A 25 9.872 1.233 -12.194 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.604 2.051 -12.799 1.00 0.00 O ATOM 381 OE2 GLU A 25 9.822 0.037 -12.554 1.00 0.00 O ATOM 0 H GLU A 25 7.618 3.531 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 25 8.198 0.852 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.922 3.089 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.432 1.423 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.158 0.924 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.364 2.580 -11.476 1.00 0.00 H new ATOM 388 N GLU A 26 9.075 3.281 -6.687 1.00 0.00 N ATOM 389 CA GLU A 26 9.347 3.588 -5.294 1.00 0.00 C ATOM 390 C GLU A 26 8.348 2.857 -4.412 1.00 0.00 C ATOM 391 O GLU A 26 8.734 1.984 -3.643 1.00 0.00 O ATOM 392 CB GLU A 26 9.303 5.104 -5.045 1.00 0.00 C ATOM 393 CG GLU A 26 10.384 5.826 -5.866 1.00 0.00 C ATOM 394 CD GLU A 26 11.819 5.381 -5.572 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.232 4.275 -5.998 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.591 6.197 -5.030 1.00 0.00 O ATOM 0 H GLU A 26 8.781 4.097 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 26 10.352 3.249 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.319 5.492 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.450 5.307 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.180 5.670 -6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.306 6.897 -5.681 1.00 0.00 H new ATOM 403 N ALA A 27 7.065 3.200 -4.519 1.00 0.00 N ATOM 404 CA ALA A 27 6.047 2.792 -3.574 1.00 0.00 C ATOM 405 C ALA A 27 5.955 1.268 -3.517 1.00 0.00 C ATOM 406 O ALA A 27 5.784 0.713 -2.434 1.00 0.00 O ATOM 407 CB ALA A 27 4.716 3.434 -3.964 1.00 0.00 C ATOM 0 H ALA A 27 6.706 3.778 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 27 6.309 3.132 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.945 3.131 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.817 4.519 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.436 3.111 -4.967 1.00 0.00 H new ATOM 413 N LEU A 28 6.113 0.574 -4.650 1.00 0.00 N ATOM 414 CA LEU A 28 6.142 -0.888 -4.678 1.00 0.00 C ATOM 415 C LEU A 28 7.355 -1.467 -3.921 1.00 0.00 C ATOM 416 O LEU A 28 7.254 -2.530 -3.306 1.00 0.00 O ATOM 417 CB LEU A 28 6.135 -1.360 -6.142 1.00 0.00 C ATOM 418 CG LEU A 28 5.145 -2.511 -6.418 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.205 -2.891 -7.899 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.376 -3.764 -5.569 1.00 0.00 C ATOM 0 H LEU A 28 6.223 1.009 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 28 5.255 -1.258 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.886 -0.516 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.140 -1.683 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 28 4.162 -2.132 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.506 -3.704 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.937 -2.027 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.215 -3.213 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.636 -4.521 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.376 -4.154 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.281 -3.511 -4.513 1.00 0.00 H new ATOM 432 N SER A 29 8.515 -0.805 -3.971 1.00 0.00 N ATOM 433 CA SER A 29 9.685 -1.160 -3.164 1.00 0.00 C ATOM 434 C SER A 29 9.338 -0.992 -1.689 1.00 0.00 C ATOM 435 O SER A 29 9.440 -1.950 -0.914 1.00 0.00 O ATOM 436 CB SER A 29 10.900 -0.284 -3.526 1.00 0.00 C ATOM 437 OG SER A 29 12.097 -0.745 -2.904 1.00 0.00 O ATOM 0 H SER A 29 8.669 -0.000 -4.579 1.00 0.00 H new ATOM 0 HA SER A 29 9.953 -2.197 -3.369 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.033 -0.278 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.708 0.745 -3.223 1.00 0.00 H new ATOM 0 HG SER A 29 12.843 -0.164 -3.160 1.00 0.00 H new ATOM 443 N GLU A 30 8.947 0.226 -1.313 1.00 0.00 N ATOM 444 CA GLU A 30 8.753 0.607 0.071 1.00 0.00 C ATOM 445 C GLU A 30 7.662 -0.254 0.689 1.00 0.00 C ATOM 446 O GLU A 30 7.810 -0.636 1.841 1.00 0.00 O ATOM 447 CB GLU A 30 8.317 2.068 0.165 1.00 0.00 C ATOM 448 CG GLU A 30 9.186 3.143 -0.496 1.00 0.00 C ATOM 449 CD GLU A 30 10.680 3.048 -0.181 1.00 0.00 C ATOM 450 OE1 GLU A 30 11.430 2.310 -0.863 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.121 3.712 0.781 1.00 0.00 O ATOM 0 H GLU A 30 8.756 0.978 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 30 9.696 0.469 0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.318 2.142 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.230 2.319 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.053 3.083 -1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.826 4.123 -0.184 1.00 0.00 H new ATOM 458 N ALA A 31 6.601 -0.594 -0.052 1.00 0.00 N ATOM 459 CA ALA A 31 5.530 -1.456 0.405 1.00 0.00 C ATOM 460 C ALA A 31 6.109 -2.748 0.953 1.00 0.00 C ATOM 461 O ALA A 31 5.895 -3.059 2.123 1.00 0.00 O ATOM 462 CB ALA A 31 4.546 -1.711 -0.735 1.00 0.00 C ATOM 0 H ALA A 31 6.470 -0.264 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 31 4.982 -0.969 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.743 -2.360 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.126 -0.763 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.066 -2.192 -1.564 1.00 0.00 H new ATOM 468 N ARG A 32 6.885 -3.480 0.148 1.00 0.00 N ATOM 469 CA ARG A 32 7.494 -4.743 0.566 1.00 0.00 C ATOM 470 C ARG A 32 8.337 -4.543 1.814 1.00 0.00 C ATOM 471 O ARG A 32 8.325 -5.412 2.691 1.00 0.00 O ATOM 472 CB ARG A 32 8.349 -5.318 -0.580 1.00 0.00 C ATOM 473 CG ARG A 32 7.545 -5.669 -1.844 1.00 0.00 C ATOM 474 CD ARG A 32 8.412 -5.795 -3.102 1.00 0.00 C ATOM 475 NE ARG A 32 8.990 -7.138 -3.277 1.00 0.00 N ATOM 476 CZ ARG A 32 10.250 -7.521 -3.032 1.00 0.00 C ATOM 477 NH1 ARG A 32 11.140 -6.695 -2.494 1.00 0.00 N ATOM 478 NH2 ARG A 32 10.612 -8.762 -3.340 1.00 0.00 N ATOM 0 H ARG A 32 7.108 -3.213 -0.811 1.00 0.00 H new ATOM 0 HA ARG A 32 6.702 -5.453 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.121 -4.595 -0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.859 -6.214 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.017 -6.608 -1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.788 -4.902 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.810 -5.549 -3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.218 -5.063 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 32 8.358 -7.859 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.871 -5.740 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.092 -7.015 -2.319 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.935 -9.403 -3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.567 -9.074 -3.162 1.00 0.00 H new ATOM 492 N GLU A 33 9.031 -3.417 1.929 1.00 0.00 N ATOM 493 CA GLU A 33 9.872 -3.135 3.059 1.00 0.00 C ATOM 494 C GLU A 33 9.016 -2.852 4.303 1.00 0.00 C ATOM 495 O GLU A 33 9.290 -3.393 5.374 1.00 0.00 O ATOM 496 CB GLU A 33 10.821 -1.991 2.647 1.00 0.00 C ATOM 497 CG GLU A 33 11.144 -1.000 3.756 1.00 0.00 C ATOM 498 CD GLU A 33 12.359 -0.138 3.428 1.00 0.00 C ATOM 499 OE1 GLU A 33 12.377 0.528 2.366 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.306 -0.126 4.239 1.00 0.00 O ATOM 0 H GLU A 33 9.018 -2.676 1.229 1.00 0.00 H new ATOM 0 HA GLU A 33 10.488 -3.988 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.753 -2.424 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.374 -1.449 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.281 -0.357 3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.326 -1.543 4.683 1.00 0.00 H new ATOM 507 N HIS A 34 7.976 -2.028 4.194 1.00 0.00 N ATOM 508 CA HIS A 34 7.165 -1.602 5.323 1.00 0.00 C ATOM 509 C HIS A 34 6.366 -2.795 5.815 1.00 0.00 C ATOM 510 O HIS A 34 6.290 -3.031 7.012 1.00 0.00 O ATOM 511 CB HIS A 34 6.248 -0.438 4.928 1.00 0.00 C ATOM 512 CG HIS A 34 6.985 0.874 4.833 1.00 0.00 C ATOM 513 ND1 HIS A 34 7.962 1.190 3.921 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.815 1.962 5.642 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.391 2.433 4.182 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.732 2.938 5.241 1.00 0.00 N ATOM 0 H HIS A 34 7.672 -1.634 3.304 1.00 0.00 H new ATOM 0 HA HIS A 34 7.806 -1.240 6.127 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.780 -0.658 3.968 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.446 -0.348 5.660 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.302 0.584 3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.100 2.052 6.447 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.155 2.954 3.623 1.00 0.00 H new ATOM 524 N LEU A 35 5.849 -3.608 4.899 1.00 0.00 N ATOM 525 CA LEU A 35 5.201 -4.872 5.199 1.00 0.00 C ATOM 526 C LEU A 35 6.133 -5.784 5.988 1.00 0.00 C ATOM 527 O LEU A 35 5.704 -6.358 6.985 1.00 0.00 O ATOM 528 CB LEU A 35 4.757 -5.543 3.896 1.00 0.00 C ATOM 529 CG LEU A 35 3.599 -4.802 3.207 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.492 -5.191 1.734 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.279 -5.111 3.904 1.00 0.00 C ATOM 0 H LEU A 35 5.872 -3.396 3.901 1.00 0.00 H new ATOM 0 HA LEU A 35 4.323 -4.682 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.605 -5.597 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.452 -6.568 4.106 1.00 0.00 H new ATOM 0 HG LEU A 35 3.807 -3.734 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.664 -4.651 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.420 -4.937 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.315 -6.263 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.470 -4.579 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.088 -6.183 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.334 -4.792 4.945 1.00 0.00 H new ATOM 543 N LYS A 36 7.403 -5.912 5.582 1.00 0.00 N ATOM 544 CA LYS A 36 8.386 -6.716 6.299 1.00 0.00 C ATOM 545 C LYS A 36 8.617 -6.181 7.713 1.00 0.00 C ATOM 546 O LYS A 36 8.726 -6.972 8.648 1.00 0.00 O ATOM 547 CB LYS A 36 9.674 -6.794 5.481 1.00 0.00 C ATOM 548 CG LYS A 36 10.546 -7.956 5.973 1.00 0.00 C ATOM 549 CD LYS A 36 11.570 -8.372 4.914 1.00 0.00 C ATOM 550 CE LYS A 36 12.515 -7.212 4.607 1.00 0.00 C ATOM 551 NZ LYS A 36 13.382 -7.510 3.450 1.00 0.00 N ATOM 0 H LYS A 36 7.772 -5.459 4.746 1.00 0.00 H new ATOM 0 HA LYS A 36 8.004 -7.730 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.436 -6.930 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.224 -5.857 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.063 -7.663 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.913 -8.807 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.140 -9.231 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.057 -8.683 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.934 -6.312 4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.132 -7.003 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.011 -6.701 3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.954 -8.354 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.793 -7.685 2.611 1.00 0.00 H new ATOM 565 N ASN A 37 8.670 -4.858 7.876 1.00 0.00 N ATOM 566 CA ASN A 37 8.821 -4.216 9.182 1.00 0.00 C ATOM 567 C ASN A 37 7.535 -4.250 10.014 1.00 0.00 C ATOM 568 O ASN A 37 7.604 -4.089 11.231 1.00 0.00 O ATOM 569 CB ASN A 37 9.243 -2.752 9.001 1.00 0.00 C ATOM 570 CG ASN A 37 10.694 -2.607 8.577 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.604 -2.844 9.373 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.939 -2.232 7.334 1.00 0.00 N ATOM 0 H ASN A 37 8.609 -4.198 7.101 1.00 0.00 H new ATOM 0 HA ASN A 37 9.585 -4.780 9.717 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.602 -2.283 8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.087 -2.215 9.937 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.902 -2.132 7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.166 -2.042 6.697 1.00 0.00 H new ATOM 579 N GLY A 38 6.373 -4.427 9.384 1.00 0.00 N ATOM 580 CA GLY A 38 5.048 -4.279 9.975 1.00 0.00 C ATOM 581 C GLY A 38 4.478 -2.861 9.867 1.00 0.00 C ATOM 582 O GLY A 38 3.311 -2.654 10.184 1.00 0.00 O ATOM 0 H GLY A 38 6.331 -4.690 8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.364 -4.974 9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.096 -4.562 11.026 1.00 0.00 H new ATOM 586 N THR A 39 5.245 -1.890 9.370 1.00 0.00 N ATOM 587 CA THR A 39 4.940 -0.464 9.378 1.00 0.00 C ATOM 588 C THR A 39 4.045 -0.092 8.190 1.00 0.00 C ATOM 589 O THR A 39 4.215 0.947 7.557 1.00 0.00 O ATOM 590 CB THR A 39 6.268 0.322 9.437 1.00 0.00 C ATOM 591 OG1 THR A 39 7.183 -0.090 8.433 1.00 0.00 O ATOM 592 CG2 THR A 39 6.963 0.109 10.786 1.00 0.00 C ATOM 0 H THR A 39 6.142 -2.091 8.928 1.00 0.00 H new ATOM 0 HA THR A 39 4.362 -0.194 10.262 1.00 0.00 H new ATOM 0 HB THR A 39 6.002 1.368 9.287 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.008 0.434 8.507 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.897 0.671 10.807 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.313 0.455 11.589 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.175 -0.951 10.923 1.00 0.00 H new ATOM 600 N CYS A 40 3.073 -0.942 7.861 1.00 0.00 N ATOM 601 CA CYS A 40 2.160 -0.784 6.742 1.00 0.00 C ATOM 602 C CYS A 40 0.730 -0.978 7.254 1.00 0.00 C ATOM 603 O CYS A 40 0.506 -1.723 8.209 1.00 0.00 O ATOM 604 CB CYS A 40 2.576 -1.802 5.673 1.00 0.00 C ATOM 605 SG CYS A 40 1.511 -1.750 4.201 1.00 0.00 S ATOM 0 H CYS A 40 2.897 -1.794 8.393 1.00 0.00 H new ATOM 0 HA CYS A 40 2.198 0.208 6.292 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.607 -1.611 5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.548 -2.804 6.101 1.00 0.00 H new ATOM 0 HG CYS A 40 1.039 -0.548 4.049 1.00 0.00 H new ATOM 611 N GLY A 41 -0.244 -0.346 6.603 1.00 0.00 N ATOM 612 CA GLY A 41 -1.670 -0.501 6.841 1.00 0.00 C ATOM 613 C GLY A 41 -2.416 -0.666 5.519 1.00 0.00 C ATOM 614 O GLY A 41 -1.809 -0.597 4.444 1.00 0.00 O ATOM 0 H GLY A 41 -0.046 0.321 5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.847 -1.369 7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.052 0.369 7.376 1.00 0.00 H new ATOM 618 N LEU A 42 -3.716 -0.949 5.607 1.00 0.00 N ATOM 619 CA LEU A 42 -4.629 -1.149 4.489 1.00 0.00 C ATOM 620 C LEU A 42 -5.592 0.032 4.407 1.00 0.00 C ATOM 621 O LEU A 42 -6.086 0.501 5.435 1.00 0.00 O ATOM 622 CB LEU A 42 -5.413 -2.451 4.716 1.00 0.00 C ATOM 623 CG LEU A 42 -6.292 -2.862 3.517 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.465 -3.513 2.400 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.341 -3.867 3.987 1.00 0.00 C ATOM 0 H LEU A 42 -4.182 -1.049 6.509 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.071 -1.218 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.710 -3.255 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.045 -2.335 5.596 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.758 -1.960 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.121 -3.788 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.713 -2.808 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.973 -4.406 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.966 -4.162 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.844 -4.747 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.963 -3.411 4.757 1.00 0.00 H new ATOM 637 N VAL A 43 -5.897 0.482 3.196 1.00 0.00 N ATOM 638 CA VAL A 43 -6.888 1.502 2.901 1.00 0.00 C ATOM 639 C VAL A 43 -8.004 0.850 2.091 1.00 0.00 C ATOM 640 O VAL A 43 -7.738 0.063 1.177 1.00 0.00 O ATOM 641 CB VAL A 43 -6.198 2.710 2.228 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.129 3.613 1.406 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.489 3.562 3.291 1.00 0.00 C ATOM 0 H VAL A 43 -5.438 0.128 2.357 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.354 1.911 3.797 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.491 2.278 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.554 4.432 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.588 3.031 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.907 4.018 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.004 4.412 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.220 3.922 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.739 2.957 3.801 1.00 0.00 H new ATOM 653 N GLU A 44 -9.251 1.129 2.466 1.00 0.00 N ATOM 654 CA GLU A 44 -10.435 0.569 1.831 1.00 0.00 C ATOM 655 C GLU A 44 -10.602 1.199 0.456 1.00 0.00 C ATOM 656 O GLU A 44 -10.612 2.426 0.326 1.00 0.00 O ATOM 657 CB GLU A 44 -11.690 0.841 2.671 1.00 0.00 C ATOM 658 CG GLU A 44 -11.726 0.051 3.983 1.00 0.00 C ATOM 659 CD GLU A 44 -12.961 0.439 4.805 1.00 0.00 C ATOM 660 OE1 GLU A 44 -14.100 0.251 4.324 1.00 0.00 O ATOM 661 OE2 GLU A 44 -12.824 0.958 5.937 1.00 0.00 O ATOM 0 H GLU A 44 -9.467 1.763 3.235 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.309 -0.510 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.744 1.906 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.573 0.594 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.743 -1.018 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.821 0.247 4.559 1.00 0.00 H new ATOM 668 N LEU A 45 -10.738 0.357 -0.567 1.00 0.00 N ATOM 669 CA LEU A 45 -11.009 0.803 -1.923 1.00 0.00 C ATOM 670 C LEU A 45 -12.443 1.289 -2.036 1.00 0.00 C ATOM 671 O LEU A 45 -13.381 0.562 -1.713 1.00 0.00 O ATOM 672 CB LEU A 45 -10.751 -0.338 -2.917 1.00 0.00 C ATOM 673 CG LEU A 45 -9.337 -0.207 -3.491 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.954 -1.498 -4.211 1.00 0.00 C ATOM 675 CD2 LEU A 45 -9.260 0.984 -4.459 1.00 0.00 C ATOM 0 H LEU A 45 -10.662 -0.656 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.341 1.630 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.865 -1.301 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.486 -0.306 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.637 -0.032 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.948 -1.402 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.983 -2.330 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.658 -1.685 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.249 1.064 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.963 0.833 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.514 1.901 -3.928 1.00 0.00 H new ATOM 687 N GLU A 46 -12.616 2.502 -2.543 1.00 0.00 N ATOM 688 CA GLU A 46 -13.901 3.090 -2.864 1.00 0.00 C ATOM 689 C GLU A 46 -13.708 4.003 -4.075 1.00 0.00 C ATOM 690 O GLU A 46 -12.579 4.223 -4.535 1.00 0.00 O ATOM 691 CB GLU A 46 -14.435 3.942 -1.708 1.00 0.00 C ATOM 692 CG GLU A 46 -14.489 3.300 -0.321 1.00 0.00 C ATOM 693 CD GLU A 46 -14.879 4.373 0.680 1.00 0.00 C ATOM 694 OE1 GLU A 46 -13.998 5.186 1.052 1.00 0.00 O ATOM 695 OE2 GLU A 46 -16.061 4.448 1.081 1.00 0.00 O ATOM 0 H GLU A 46 -11.833 3.123 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.613 2.289 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.819 4.839 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.443 4.266 -1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.213 2.485 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.521 2.871 -0.062 1.00 0.00 H new ATOM 702 N LYS A 47 -14.798 4.620 -4.539 1.00 0.00 N ATOM 703 CA LYS A 47 -14.746 5.686 -5.527 1.00 0.00 C ATOM 704 C LYS A 47 -13.892 6.844 -5.014 1.00 0.00 C ATOM 705 O LYS A 47 -12.867 7.164 -5.622 1.00 0.00 O ATOM 706 CB LYS A 47 -16.162 6.157 -5.859 1.00 0.00 C ATOM 707 CG LYS A 47 -16.136 7.073 -7.088 1.00 0.00 C ATOM 708 CD LYS A 47 -17.509 7.711 -7.242 1.00 0.00 C ATOM 709 CE LYS A 47 -17.587 8.488 -8.549 1.00 0.00 C ATOM 710 NZ LYS A 47 -18.902 9.135 -8.674 1.00 0.00 N ATOM 0 H LYS A 47 -15.743 4.388 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.286 5.305 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.805 5.297 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.586 6.689 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.372 7.842 -6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.881 6.502 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.280 6.941 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.704 8.378 -6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.798 9.240 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.422 7.816 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.946 9.663 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.648 8.410 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.044 9.790 -7.879 1.00 0.00 H new ATOM 724 N GLY A 48 -14.305 7.459 -3.906 1.00 0.00 N ATOM 725 CA GLY A 48 -13.780 8.714 -3.391 1.00 0.00 C ATOM 726 C GLY A 48 -12.428 8.583 -2.708 1.00 0.00 C ATOM 727 O GLY A 48 -12.096 9.420 -1.880 1.00 0.00 O ATOM 0 H GLY A 48 -15.047 7.076 -3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.693 9.425 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.495 9.132 -2.682 1.00 0.00 H new ATOM 731 N VAL A 49 -11.651 7.550 -3.013 1.00 0.00 N ATOM 732 CA VAL A 49 -10.363 7.278 -2.397 1.00 0.00 C ATOM 733 C VAL A 49 -9.269 7.746 -3.335 1.00 0.00 C ATOM 734 O VAL A 49 -8.525 8.655 -2.988 1.00 0.00 O ATOM 735 CB VAL A 49 -10.326 5.769 -2.073 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.946 5.153 -1.803 1.00 0.00 C ATOM 737 CG2 VAL A 49 -11.240 5.493 -0.875 1.00 0.00 C ATOM 0 H VAL A 49 -11.910 6.859 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.206 7.818 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.666 5.285 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.058 4.090 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.312 5.282 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.487 5.649 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.220 4.429 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.892 6.062 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.260 5.791 -1.119 1.00 0.00 H new ATOM 747 N LEU A 50 -9.214 7.174 -4.537 1.00 0.00 N ATOM 748 CA LEU A 50 -8.206 7.456 -5.549 1.00 0.00 C ATOM 749 C LEU A 50 -7.995 8.969 -5.729 1.00 0.00 C ATOM 750 O LEU A 50 -6.852 9.391 -5.610 1.00 0.00 O ATOM 751 CB LEU A 50 -8.635 6.778 -6.862 1.00 0.00 C ATOM 752 CG LEU A 50 -8.286 5.276 -7.032 1.00 0.00 C ATOM 753 CD1 LEU A 50 -7.766 4.983 -8.445 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.321 4.678 -6.001 1.00 0.00 C ATOM 0 H LEU A 50 -9.895 6.478 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.244 7.053 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.715 6.887 -6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.182 7.326 -7.689 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.240 4.779 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.530 3.923 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.530 5.247 -9.176 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.868 5.571 -8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.156 3.624 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.371 5.211 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.750 4.773 -5.003 1.00 0.00 H new ATOM 766 N PRO A 51 -9.019 9.821 -5.943 1.00 0.00 N ATOM 767 CA PRO A 51 -8.775 11.243 -6.170 1.00 0.00 C ATOM 768 C PRO A 51 -8.337 12.010 -4.910 1.00 0.00 C ATOM 769 O PRO A 51 -7.966 13.179 -5.024 1.00 0.00 O ATOM 770 CB PRO A 51 -10.077 11.787 -6.763 1.00 0.00 C ATOM 771 CG PRO A 51 -11.150 10.874 -6.178 1.00 0.00 C ATOM 772 CD PRO A 51 -10.443 9.528 -6.048 1.00 0.00 C ATOM 0 HA PRO A 51 -7.931 11.381 -6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.240 12.828 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.068 11.748 -7.852 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.502 11.237 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.020 10.808 -6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.794 8.988 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.647 8.897 -6.913 1.00 0.00 H new ATOM 780 N GLN A 52 -8.376 11.401 -3.722 1.00 0.00 N ATOM 781 CA GLN A 52 -7.836 11.967 -2.486 1.00 0.00 C ATOM 782 C GLN A 52 -6.405 11.469 -2.244 1.00 0.00 C ATOM 783 O GLN A 52 -5.644 12.098 -1.513 1.00 0.00 O ATOM 784 CB GLN A 52 -8.742 11.603 -1.286 1.00 0.00 C ATOM 785 CG GLN A 52 -10.221 11.958 -1.528 1.00 0.00 C ATOM 786 CD GLN A 52 -11.127 11.871 -0.292 1.00 0.00 C ATOM 787 OE1 GLN A 52 -11.948 12.758 -0.037 1.00 0.00 O ATOM 788 NE2 GLN A 52 -11.069 10.789 0.466 1.00 0.00 N ATOM 0 H GLN A 52 -8.794 10.480 -3.591 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.811 13.052 -2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.657 10.535 -1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.388 12.125 -0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.274 12.971 -1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.616 11.293 -2.296 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.392 10.056 0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.702 10.688 1.260 1.00 0.00 H new ATOM 797 N LEU A 53 -6.021 10.337 -2.836 1.00 0.00 N ATOM 798 CA LEU A 53 -4.731 9.693 -2.626 1.00 0.00 C ATOM 799 C LEU A 53 -3.669 10.405 -3.462 1.00 0.00 C ATOM 800 O LEU A 53 -4.002 11.204 -4.339 1.00 0.00 O ATOM 801 CB LEU A 53 -4.814 8.207 -3.026 1.00 0.00 C ATOM 802 CG LEU A 53 -5.592 7.239 -2.111 1.00 0.00 C ATOM 803 CD1 LEU A 53 -4.701 6.084 -1.645 1.00 0.00 C ATOM 804 CD2 LEU A 53 -6.185 7.836 -0.839 1.00 0.00 C ATOM 0 H LEU A 53 -6.617 9.832 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.461 9.755 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.261 8.156 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.795 7.831 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.415 6.927 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.276 5.418 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.341 5.530 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.851 6.481 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.707 7.058 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.386 8.250 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.887 8.627 -1.101 1.00 0.00 H new ATOM 816 N GLU A 54 -2.399 10.101 -3.175 1.00 0.00 N ATOM 817 CA GLU A 54 -1.256 10.773 -3.774 1.00 0.00 C ATOM 818 C GLU A 54 -1.173 10.419 -5.258 1.00 0.00 C ATOM 819 O GLU A 54 -1.608 11.219 -6.085 1.00 0.00 O ATOM 820 CB GLU A 54 0.038 10.513 -2.990 1.00 0.00 C ATOM 821 CG GLU A 54 -0.112 10.569 -1.461 1.00 0.00 C ATOM 822 CD GLU A 54 -0.792 11.797 -0.843 1.00 0.00 C ATOM 823 OE1 GLU A 54 -0.208 12.903 -0.809 1.00 0.00 O ATOM 824 OE2 GLU A 54 -1.867 11.635 -0.224 1.00 0.00 O ATOM 0 H GLU A 54 -2.140 9.371 -2.511 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.396 11.852 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.423 9.532 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.784 11.246 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.671 9.687 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.884 10.486 -1.026 1.00 0.00 H new ATOM 831 N GLN A 55 -0.647 9.245 -5.622 1.00 0.00 N ATOM 832 CA GLN A 55 -0.654 8.773 -6.980 1.00 0.00 C ATOM 833 C GLN A 55 -0.273 7.298 -7.076 1.00 0.00 C ATOM 834 O GLN A 55 -1.043 6.561 -7.681 1.00 0.00 O ATOM 835 CB GLN A 55 0.275 9.603 -7.860 1.00 0.00 C ATOM 836 CG GLN A 55 -0.135 9.469 -9.313 1.00 0.00 C ATOM 837 CD GLN A 55 -1.449 10.171 -9.608 1.00 0.00 C ATOM 838 OE1 GLN A 55 -1.566 11.391 -9.712 1.00 0.00 O ATOM 839 NE2 GLN A 55 -2.476 9.375 -9.780 1.00 0.00 N ATOM 0 H GLN A 55 -0.205 8.602 -4.965 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.677 8.884 -7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.238 10.650 -7.558 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.305 9.271 -7.732 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.647 9.884 -9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.225 8.413 -9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.360 8.366 -9.690 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.392 9.765 -10.004 1.00 0.00 H new ATOM 848 N PRO A 56 0.893 6.814 -6.597 1.00 0.00 N ATOM 849 CA PRO A 56 1.210 5.418 -6.754 1.00 0.00 C ATOM 850 C PRO A 56 0.436 4.650 -5.709 1.00 0.00 C ATOM 851 O PRO A 56 0.861 4.438 -4.570 1.00 0.00 O ATOM 852 CB PRO A 56 2.708 5.291 -6.662 1.00 0.00 C ATOM 853 CG PRO A 56 3.130 6.460 -5.778 1.00 0.00 C ATOM 854 CD PRO A 56 1.975 7.472 -5.874 1.00 0.00 C ATOM 0 HA PRO A 56 0.918 4.998 -7.716 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.000 4.336 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.174 5.348 -7.646 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.288 6.139 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.067 6.897 -6.123 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.646 7.777 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.295 8.374 -6.395 1.00 0.00 H new ATOM 862 N TYR A 57 -0.758 4.281 -6.130 1.00 0.00 N ATOM 863 CA TYR A 57 -1.681 3.530 -5.317 1.00 0.00 C ATOM 864 C TYR A 57 -1.175 2.081 -5.375 1.00 0.00 C ATOM 865 O TYR A 57 -1.350 1.383 -6.376 1.00 0.00 O ATOM 866 CB TYR A 57 -3.107 3.691 -5.871 1.00 0.00 C ATOM 867 CG TYR A 57 -3.495 5.070 -6.394 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.399 6.217 -5.580 1.00 0.00 C ATOM 869 CD2 TYR A 57 -3.866 5.212 -7.748 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.729 7.486 -6.105 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.199 6.473 -8.272 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.187 7.603 -7.432 1.00 0.00 C ATOM 873 OH TYR A 57 -4.583 8.810 -7.913 1.00 0.00 O ATOM 0 H TYR A 57 -1.115 4.500 -7.060 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.727 3.871 -4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.239 2.972 -6.680 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.809 3.417 -5.084 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.073 6.125 -4.554 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.894 4.343 -8.388 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.630 8.367 -5.489 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.463 6.575 -9.314 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.313 9.159 -7.360 1.00 0.00 H new ATOM 883 N VAL A 58 -0.438 1.660 -4.343 1.00 0.00 N ATOM 884 CA VAL A 58 0.001 0.279 -4.201 1.00 0.00 C ATOM 885 C VAL A 58 -1.223 -0.520 -3.777 1.00 0.00 C ATOM 886 O VAL A 58 -1.767 -0.266 -2.703 1.00 0.00 O ATOM 887 CB VAL A 58 1.145 0.141 -3.180 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.666 -1.306 -3.128 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.321 1.063 -3.518 1.00 0.00 C ATOM 0 H VAL A 58 -0.132 2.271 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 58 0.405 -0.093 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 58 0.732 0.424 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.473 -1.376 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.856 -1.974 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.039 -1.594 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.108 0.936 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.710 0.810 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.983 2.099 -3.516 1.00 0.00 H new ATOM 899 N PHE A 59 -1.678 -1.454 -4.601 1.00 0.00 N ATOM 900 CA PHE A 59 -2.874 -2.235 -4.345 1.00 0.00 C ATOM 901 C PHE A 59 -2.526 -3.675 -4.012 1.00 0.00 C ATOM 902 O PHE A 59 -1.375 -4.111 -4.117 1.00 0.00 O ATOM 903 CB PHE A 59 -3.780 -2.197 -5.574 1.00 0.00 C ATOM 904 CG PHE A 59 -4.306 -0.851 -6.024 1.00 0.00 C ATOM 905 CD1 PHE A 59 -5.227 -0.130 -5.239 1.00 0.00 C ATOM 906 CD2 PHE A 59 -3.922 -0.352 -7.280 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.770 1.070 -5.737 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.460 0.854 -7.756 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.381 1.569 -6.985 1.00 0.00 C ATOM 0 H PHE A 59 -1.217 -1.692 -5.479 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.391 -1.802 -3.489 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.232 -2.638 -6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.636 -2.842 -5.378 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.514 -0.494 -4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.210 -0.898 -7.881 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.496 1.612 -5.148 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.161 1.231 -8.723 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.789 2.500 -7.350 1.00 0.00 H new ATOM 919 N ILE A 60 -3.571 -4.414 -3.637 1.00 0.00 N ATOM 920 CA ILE A 60 -3.541 -5.838 -3.375 1.00 0.00 C ATOM 921 C ILE A 60 -4.718 -6.470 -4.115 1.00 0.00 C ATOM 922 O ILE A 60 -5.872 -6.100 -3.902 1.00 0.00 O ATOM 923 CB ILE A 60 -3.516 -6.102 -1.854 1.00 0.00 C ATOM 924 CG1 ILE A 60 -4.812 -5.728 -1.123 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.302 -5.410 -1.237 1.00 0.00 C ATOM 926 CD1 ILE A 60 -4.749 -6.014 0.372 1.00 0.00 C ATOM 0 H ILE A 60 -4.498 -4.010 -3.504 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.631 -6.306 -3.750 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.434 -7.181 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.018 -4.669 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.643 -6.282 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.284 -5.596 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.391 -5.802 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.364 -4.337 -1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.693 -5.730 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.572 -7.078 0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.937 -5.440 0.818 1.00 0.00 H new ATOM 938 N LYS A 61 -4.438 -7.412 -5.007 1.00 0.00 N ATOM 939 CA LYS A 61 -5.423 -8.157 -5.803 1.00 0.00 C ATOM 940 C LYS A 61 -5.284 -9.622 -5.459 1.00 0.00 C ATOM 941 O LYS A 61 -4.166 -10.054 -5.186 1.00 0.00 O ATOM 942 CB LYS A 61 -5.297 -7.941 -7.320 1.00 0.00 C ATOM 943 CG LYS A 61 -3.911 -7.540 -7.807 1.00 0.00 C ATOM 944 CD LYS A 61 -3.297 -8.319 -8.968 1.00 0.00 C ATOM 945 CE LYS A 61 -2.826 -7.309 -9.983 1.00 0.00 C ATOM 946 NZ LYS A 61 -1.930 -7.893 -11.012 1.00 0.00 N ATOM 0 H LYS A 61 -3.479 -7.695 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.413 -7.779 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.590 -8.860 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.007 -7.171 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.951 -6.490 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.228 -7.612 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.466 -8.933 -8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.030 -8.994 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.692 -6.865 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.302 -6.503 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.956 -7.566 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.961 -8.931 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.244 -7.592 -11.957 1.00 0.00 H new ATOM 960 N ARG A 62 -6.388 -10.375 -5.439 1.00 0.00 N ATOM 961 CA ARG A 62 -6.424 -11.792 -5.046 1.00 0.00 C ATOM 962 C ARG A 62 -5.747 -12.705 -6.058 1.00 0.00 C ATOM 963 O ARG A 62 -6.389 -13.532 -6.700 1.00 0.00 O ATOM 964 CB ARG A 62 -7.842 -12.274 -4.684 1.00 0.00 C ATOM 965 CG ARG A 62 -8.845 -11.918 -5.780 1.00 0.00 C ATOM 966 CD ARG A 62 -10.241 -12.520 -5.578 1.00 0.00 C ATOM 967 NE ARG A 62 -11.078 -12.300 -6.768 1.00 0.00 N ATOM 968 CZ ARG A 62 -12.295 -12.795 -7.016 1.00 0.00 C ATOM 969 NH1 ARG A 62 -12.905 -13.577 -6.133 1.00 0.00 N ATOM 970 NH2 ARG A 62 -12.901 -12.504 -8.160 1.00 0.00 N ATOM 0 H ARG A 62 -7.304 -10.010 -5.701 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.833 -11.858 -4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.834 -13.353 -4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.153 -11.822 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.935 -10.833 -5.836 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.452 -12.255 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.157 -13.588 -5.379 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.714 -12.069 -4.706 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.682 -11.698 -7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.445 -13.807 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.833 -13.948 -6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.438 -11.906 -8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.829 -12.879 -8.355 1.00 0.00 H new ATOM 984 N SER A 63 -4.430 -12.600 -6.167 1.00 0.00 N ATOM 985 CA SER A 63 -3.644 -13.119 -7.250 1.00 0.00 C ATOM 986 C SER A 63 -4.358 -12.796 -8.560 1.00 0.00 C ATOM 987 O SER A 63 -4.789 -11.655 -8.747 1.00 0.00 O ATOM 988 CB SER A 63 -3.322 -14.585 -6.947 1.00 0.00 C ATOM 989 OG SER A 63 -4.430 -15.406 -6.653 1.00 0.00 O ATOM 0 H SER A 63 -3.865 -12.126 -5.463 1.00 0.00 H new ATOM 0 HA SER A 63 -2.666 -12.652 -7.365 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.797 -15.007 -7.804 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.633 -14.620 -6.103 1.00 0.00 H new ATOM 0 HG SER A 63 -5.258 -14.899 -6.787 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.112 -16.132 0.491 1.00 0.00 N ATOM 1117 CA LYS A 73 -7.738 -14.977 -0.309 1.00 0.00 C ATOM 1118 C LYS A 73 -6.236 -14.768 -0.124 1.00 0.00 C ATOM 1119 O LYS A 73 -5.799 -14.069 0.797 1.00 0.00 O ATOM 1120 CB LYS A 73 -8.579 -13.732 0.031 1.00 0.00 C ATOM 1121 CG LYS A 73 -9.882 -13.665 -0.792 1.00 0.00 C ATOM 1122 CD LYS A 73 -10.552 -12.281 -0.725 1.00 0.00 C ATOM 1123 CE LYS A 73 -11.522 -12.070 0.451 1.00 0.00 C ATOM 1124 NZ LYS A 73 -12.887 -12.582 0.183 1.00 0.00 N ATOM 0 HA LYS A 73 -7.951 -15.155 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.823 -13.740 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.988 -12.835 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.664 -13.909 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.578 -14.420 -0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.772 -11.522 -0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.095 -12.114 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.123 -12.565 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.579 -11.006 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.491 -12.410 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.285 -12.092 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.843 -13.603 -0.008 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.442 -15.429 -0.955 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.089 -14.980 -1.252 1.00 0.00 C ATOM 1140 C VAL A 74 -4.234 -13.681 -2.039 1.00 0.00 C ATOM 1141 O VAL A 74 -5.234 -13.510 -2.733 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.372 -16.094 -2.036 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -2.029 -15.683 -2.650 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.136 -17.294 -1.106 1.00 0.00 C ATOM 0 H VAL A 74 -5.715 -16.285 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.486 -14.785 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.030 -16.340 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.598 -16.531 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.184 -14.858 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.349 -15.367 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.628 -18.086 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.519 -16.985 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.093 -17.663 -0.739 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.246 -12.795 -1.966 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.110 -11.619 -2.812 1.00 0.00 C ATOM 1156 C VAL A 75 -1.687 -11.568 -3.366 1.00 0.00 C ATOM 1157 O VAL A 75 -0.883 -12.491 -3.175 1.00 0.00 O ATOM 1158 CB VAL A 75 -3.512 -10.319 -2.075 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.001 -10.260 -1.786 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -2.796 -10.074 -0.749 1.00 0.00 C ATOM 0 H VAL A 75 -2.489 -12.882 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.805 -11.697 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.207 -9.545 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.235 -9.330 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.556 -10.302 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.284 -11.105 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.148 -9.139 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.007 -10.896 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.722 -10.012 -0.922 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.377 -10.486 -4.071 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.029 -10.112 -4.436 1.00 0.00 C ATOM 1172 C GLU A 76 0.074 -8.584 -4.338 1.00 0.00 C ATOM 1173 O GLU A 76 -0.956 -7.918 -4.194 1.00 0.00 O ATOM 1174 CB GLU A 76 0.305 -10.664 -5.832 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.565 -10.107 -6.971 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.105 -10.660 -8.321 1.00 0.00 C ATOM 1177 OE1 GLU A 76 -0.493 -11.805 -8.652 1.00 0.00 O ATOM 1178 OE2 GLU A 76 0.732 -10.008 -8.989 1.00 0.00 O ATOM 0 H GLU A 76 -2.081 -9.831 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 76 0.710 -10.543 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.350 -10.447 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.202 -11.749 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.609 -10.371 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.509 -9.018 -6.980 1.00 0.00 H new ATOM 1185 N LEU A 77 1.293 -8.038 -4.395 1.00 0.00 N ATOM 1186 CA LEU A 77 1.549 -6.595 -4.374 1.00 0.00 C ATOM 1187 C LEU A 77 1.668 -6.103 -5.808 1.00 0.00 C ATOM 1188 O LEU A 77 2.240 -6.812 -6.642 1.00 0.00 O ATOM 1189 CB LEU A 77 2.860 -6.272 -3.632 1.00 0.00 C ATOM 1190 CG LEU A 77 2.827 -6.621 -2.136 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.238 -6.623 -1.548 1.00 0.00 C ATOM 1192 CD2 LEU A 77 1.995 -5.609 -1.355 1.00 0.00 C ATOM 0 H LEU A 77 2.144 -8.597 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 77 0.726 -6.103 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.678 -6.816 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.077 -5.210 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 77 2.382 -7.612 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.190 -6.873 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.848 -7.362 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.684 -5.636 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.989 -5.880 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.427 -4.615 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.973 -5.607 -1.735 1.00 0.00 H new ATOM 1204 N VAL A 78 1.150 -4.906 -6.068 1.00 0.00 N ATOM 1205 CA VAL A 78 0.991 -4.297 -7.381 1.00 0.00 C ATOM 1206 C VAL A 78 0.952 -2.784 -7.147 1.00 0.00 C ATOM 1207 O VAL A 78 0.667 -2.350 -6.027 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.320 -4.789 -8.050 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.070 -5.295 -9.473 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -1.120 -5.836 -7.270 1.00 0.00 C ATOM 0 H VAL A 78 0.810 -4.300 -5.321 1.00 0.00 H new ATOM 0 HA VAL A 78 1.808 -4.568 -8.050 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.943 -3.895 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.010 -5.631 -9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.344 -4.489 -10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.635 -6.126 -9.445 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.014 -6.104 -7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.506 -6.724 -7.118 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.410 -5.426 -6.303 1.00 0.00 H new ATOM 1220 N ALA A 79 1.231 -1.972 -8.163 1.00 0.00 N ATOM 1221 CA ALA A 79 1.196 -0.519 -8.054 1.00 0.00 C ATOM 1222 C ALA A 79 0.757 0.014 -9.408 1.00 0.00 C ATOM 1223 O ALA A 79 1.250 -0.427 -10.449 1.00 0.00 O ATOM 1224 CB ALA A 79 2.572 0.021 -7.634 1.00 0.00 C ATOM 0 H ALA A 79 1.489 -2.307 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 79 0.496 -0.192 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.529 1.107 -7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.849 -0.400 -6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.316 -0.261 -8.379 1.00 0.00 H new ATOM 1230 N GLU A 80 -0.184 0.950 -9.403 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.854 1.431 -10.602 1.00 0.00 C ATOM 1232 C GLU A 80 -1.047 2.930 -10.417 1.00 0.00 C ATOM 1233 O GLU A 80 -2.040 3.343 -9.821 1.00 0.00 O ATOM 1234 CB GLU A 80 -2.184 0.704 -10.841 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.059 -0.605 -11.629 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.559 -1.801 -10.807 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -1.977 -1.958 -9.642 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -0.887 -2.666 -11.407 1.00 0.00 O ATOM 0 H GLU A 80 -0.508 1.404 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.255 1.228 -11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.645 0.491 -9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.858 1.373 -11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.032 -0.853 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.379 -0.446 -12.466 1.00 0.00 H new ATOM 1245 N MET A 81 -0.102 3.743 -10.896 1.00 0.00 N ATOM 1246 CA MET A 81 -0.083 5.176 -10.621 1.00 0.00 C ATOM 1247 C MET A 81 -1.357 5.870 -11.115 1.00 0.00 C ATOM 1248 O MET A 81 -1.878 6.758 -10.453 1.00 0.00 O ATOM 1249 CB MET A 81 1.177 5.847 -11.180 1.00 0.00 C ATOM 1250 CG MET A 81 1.221 5.960 -12.712 1.00 0.00 C ATOM 1251 SD MET A 81 2.626 6.888 -13.375 1.00 0.00 S ATOM 1252 CE MET A 81 2.349 8.498 -12.584 1.00 0.00 C ATOM 0 H MET A 81 0.668 3.424 -11.484 1.00 0.00 H new ATOM 0 HA MET A 81 -0.055 5.289 -9.537 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.259 6.847 -10.753 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.049 5.285 -10.846 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.238 4.955 -13.134 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.300 6.433 -13.052 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.871 9.273 -13.145 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.281 8.717 -12.569 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.728 8.471 -11.562 1.00 0.00 H new ATOM 1262 N ASP A 82 -1.897 5.456 -12.267 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.131 6.032 -12.805 1.00 0.00 C ATOM 1264 C ASP A 82 -4.347 5.183 -12.419 1.00 0.00 C ATOM 1265 O ASP A 82 -5.413 5.304 -13.027 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.011 6.257 -14.319 1.00 0.00 C ATOM 1267 CG ASP A 82 -4.083 7.231 -14.809 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -4.181 8.345 -14.246 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -4.847 6.896 -15.745 1.00 0.00 O ATOM 0 H ASP A 82 -1.494 4.719 -12.846 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.287 7.013 -12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.022 6.649 -14.556 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.111 5.306 -14.842 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.182 4.264 -11.460 1.00 0.00 N ATOM 1275 CA GLY A 83 -5.151 3.241 -11.093 1.00 0.00 C ATOM 1276 C GLY A 83 -5.608 2.444 -12.313 1.00 0.00 C ATOM 1277 O GLY A 83 -6.768 2.039 -12.393 1.00 0.00 O ATOM 0 H GLY A 83 -3.332 4.217 -10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.710 2.566 -10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.013 3.708 -10.618 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.669 2.271 -13.254 1.00 0.00 N ATOM 1282 CA ILE A 84 -4.782 1.722 -14.598 1.00 0.00 C ATOM 1283 C ILE A 84 -5.863 0.651 -14.666 1.00 0.00 C ATOM 1284 O ILE A 84 -6.859 0.794 -15.377 1.00 0.00 O ATOM 1285 CB ILE A 84 -3.379 1.235 -15.031 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -2.442 2.448 -15.238 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -3.493 0.366 -16.286 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -0.988 2.080 -15.553 1.00 0.00 C ATOM 0 H ILE A 84 -3.706 2.546 -13.062 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.108 2.482 -15.308 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.942 0.617 -14.247 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.833 3.059 -16.051 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.461 3.064 -14.339 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.501 0.027 -16.585 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.123 -0.498 -16.075 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.936 0.949 -17.093 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.402 2.990 -15.683 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.574 1.496 -14.731 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.952 1.492 -16.470 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.648 -0.420 -13.917 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.618 -1.443 -13.626 1.00 0.00 C ATOM 1302 C GLN A 85 -6.498 -1.682 -12.124 1.00 0.00 C ATOM 1303 O GLN A 85 -5.798 -0.961 -11.410 1.00 0.00 O ATOM 1304 CB GLN A 85 -6.358 -2.711 -14.469 1.00 0.00 C ATOM 1305 CG GLN A 85 -6.634 -2.498 -15.963 1.00 0.00 C ATOM 1306 CD GLN A 85 -6.531 -3.812 -16.736 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -5.457 -4.393 -16.863 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -7.638 -4.327 -17.243 1.00 0.00 N ATOM 0 H GLN A 85 -4.745 -0.600 -13.478 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.634 -1.148 -13.887 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.322 -3.024 -14.336 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.986 -3.522 -14.100 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.629 -2.072 -16.095 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.923 -1.778 -16.368 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.526 -3.837 -17.132 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.604 -5.214 -17.745 1.00 0.00 H new ATOM 1317 N TYR A 86 -7.192 -2.712 -11.671 1.00 0.00 N ATOM 1318 CA TYR A 86 -7.208 -3.239 -10.315 1.00 0.00 C ATOM 1319 C TYR A 86 -7.856 -2.286 -9.315 1.00 0.00 C ATOM 1320 O TYR A 86 -8.851 -2.686 -8.726 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.815 -3.717 -9.878 1.00 0.00 C ATOM 1322 CG TYR A 86 -5.124 -4.578 -10.918 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -5.670 -5.817 -11.304 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.931 -4.127 -11.505 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -5.025 -6.599 -12.282 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -3.244 -4.925 -12.431 1.00 0.00 C ATOM 1327 CZ TYR A 86 -3.805 -6.154 -12.846 1.00 0.00 C ATOM 1328 OH TYR A 86 -3.107 -6.966 -13.681 1.00 0.00 O ATOM 0 H TYR A 86 -7.806 -3.243 -12.288 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.851 -4.119 -10.325 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.192 -2.849 -9.662 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.907 -4.282 -8.951 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.585 -6.168 -10.850 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.539 -3.156 -11.241 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.460 -7.535 -12.601 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.292 -4.602 -12.825 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.294 -6.507 -13.980 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.350 -1.072 -9.093 1.00 0.00 N ATOM 1339 CA GLY A 87 -7.878 -0.156 -8.083 1.00 0.00 C ATOM 1340 C GLY A 87 -9.395 -0.034 -8.153 1.00 0.00 C ATOM 1341 O GLY A 87 -10.117 -0.437 -7.244 1.00 0.00 O ATOM 0 H GLY A 87 -6.557 -0.695 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.589 -0.505 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.430 0.828 -8.218 1.00 0.00 H new ATOM 1345 N ARG A 88 -9.893 0.470 -9.282 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.321 0.572 -9.570 1.00 0.00 C ATOM 1347 C ARG A 88 -11.874 -0.798 -10.016 1.00 0.00 C ATOM 1348 O ARG A 88 -12.474 -0.892 -11.094 1.00 0.00 O ATOM 1349 CB ARG A 88 -11.487 1.699 -10.610 1.00 0.00 C ATOM 1350 CG ARG A 88 -12.897 2.292 -10.746 1.00 0.00 C ATOM 1351 CD ARG A 88 -13.202 3.329 -9.655 1.00 0.00 C ATOM 1352 NE ARG A 88 -14.194 4.306 -10.142 1.00 0.00 N ATOM 1353 CZ ARG A 88 -14.011 5.632 -10.160 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -13.132 6.224 -9.363 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -14.706 6.379 -11.009 1.00 0.00 N ATOM 0 H ARG A 88 -9.303 0.825 -10.035 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.909 0.833 -8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.799 2.505 -10.355 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.181 1.315 -11.583 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.999 2.758 -11.726 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.633 1.489 -10.697 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.581 2.829 -8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.286 3.844 -9.366 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.083 3.946 -10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.575 5.667 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.013 7.236 -9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.375 5.942 -11.643 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.571 7.390 -11.027 1.00 0.00 H new ATOM 1369 N SER A 89 -11.613 -1.872 -9.270 1.00 0.00 N ATOM 1370 CA SER A 89 -12.057 -3.238 -9.536 1.00 0.00 C ATOM 1371 C SER A 89 -12.246 -3.971 -8.196 1.00 0.00 C ATOM 1372 O SER A 89 -11.615 -3.618 -7.200 1.00 0.00 O ATOM 1373 CB SER A 89 -11.029 -3.980 -10.414 1.00 0.00 C ATOM 1374 OG SER A 89 -10.464 -3.171 -11.439 1.00 0.00 O ATOM 0 H SER A 89 -11.056 -1.807 -8.418 1.00 0.00 H new ATOM 0 HA SER A 89 -13.004 -3.213 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.228 -4.359 -9.779 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.511 -4.845 -10.870 1.00 0.00 H new ATOM 0 HG SER A 89 -9.821 -3.700 -11.956 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.082 -5.013 -8.173 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.448 -5.775 -6.981 1.00 0.00 C ATOM 1382 C GLY A 90 -12.553 -6.991 -6.720 1.00 0.00 C ATOM 1383 O GLY A 90 -12.561 -7.521 -5.610 1.00 0.00 O ATOM 0 H GLY A 90 -13.538 -5.360 -9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.409 -5.115 -6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.480 -6.111 -7.080 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.717 -7.400 -7.682 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.555 -8.272 -7.441 1.00 0.00 C ATOM 1389 C ILE A 91 -9.648 -7.683 -6.342 1.00 0.00 C ATOM 1390 O ILE A 91 -8.902 -8.415 -5.683 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.789 -8.552 -8.770 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.378 -9.119 -8.559 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -9.745 -7.336 -9.721 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.722 -9.699 -9.820 1.00 0.00 C ATOM 0 H ILE A 91 -11.827 -7.134 -8.660 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.907 -9.236 -7.073 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.381 -9.328 -9.255 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.739 -8.329 -8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.425 -9.899 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.197 -7.601 -10.625 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -10.761 -7.044 -9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -9.245 -6.504 -9.225 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.729 -10.075 -9.573 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.333 -10.515 -10.206 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.637 -8.920 -10.577 1.00 0.00 H new ATOM 1406 N THR A 92 -9.714 -6.373 -6.121 1.00 0.00 N ATOM 1407 CA THR A 92 -8.702 -5.646 -5.393 1.00 0.00 C ATOM 1408 C THR A 92 -9.236 -5.316 -4.002 1.00 0.00 C ATOM 1409 O THR A 92 -10.319 -4.743 -3.833 1.00 0.00 O ATOM 1410 CB THR A 92 -8.301 -4.429 -6.215 1.00 0.00 C ATOM 1411 OG1 THR A 92 -8.137 -4.844 -7.552 1.00 0.00 O ATOM 1412 CG2 THR A 92 -6.978 -3.830 -5.757 1.00 0.00 C ATOM 0 H THR A 92 -10.483 -5.789 -6.449 1.00 0.00 H new ATOM 0 HA THR A 92 -7.797 -6.234 -5.240 1.00 0.00 H new ATOM 0 HB THR A 92 -9.079 -3.674 -6.099 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.685 -4.282 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.737 -2.965 -6.375 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.060 -3.520 -4.715 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.189 -4.576 -5.853 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.509 -5.769 -2.984 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.020 -5.821 -1.624 1.00 0.00 C ATOM 1422 C LEU A 93 -8.769 -4.491 -0.905 1.00 0.00 C ATOM 1423 O LEU A 93 -9.598 -4.093 -0.083 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.468 -7.023 -0.850 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.288 -8.327 -1.653 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -7.808 -9.389 -0.673 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -9.548 -8.852 -2.361 1.00 0.00 C ATOM 0 H LEU A 93 -7.552 -6.109 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.099 -5.968 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.502 -6.744 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.135 -7.226 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.582 -8.107 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.667 -10.333 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.863 -9.075 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.551 -9.520 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.309 -9.772 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.324 -9.053 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.906 -8.104 -3.069 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.695 -3.765 -1.228 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.475 -2.401 -0.750 1.00 0.00 C ATOM 1441 C GLY A 94 -6.232 -1.787 -1.390 1.00 0.00 C ATOM 1442 O GLY A 94 -5.622 -2.394 -2.276 1.00 0.00 O ATOM 0 H GLY A 94 -6.950 -4.111 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.346 -1.787 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.365 -2.406 0.334 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.881 -0.583 -0.942 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.589 0.070 -1.163 1.00 0.00 C ATOM 1448 C VAL A 95 -3.746 -0.142 0.093 1.00 0.00 C ATOM 1449 O VAL A 95 -4.267 -0.500 1.151 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.809 1.582 -1.455 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.524 2.387 -1.730 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.733 1.907 -2.622 1.00 0.00 C ATOM 0 H VAL A 95 -6.518 -0.009 -0.390 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.072 -0.354 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.269 1.877 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.781 3.429 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.866 2.330 -0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.014 1.973 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.813 2.988 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.327 1.477 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.721 1.488 -2.431 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.444 0.097 -0.014 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.471 -0.028 1.050 1.00 0.00 C ATOM 1464 C LEU A 96 -0.784 1.302 1.278 1.00 0.00 C ATOM 1465 O LEU A 96 -0.519 2.055 0.339 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.423 -1.062 0.654 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.965 -2.490 0.610 1.00 0.00 C ATOM 1468 CD1 LEU A 96 0.152 -3.396 0.096 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.453 -3.016 1.960 1.00 0.00 C ATOM 0 H LEU A 96 -2.023 0.398 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.978 -0.338 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.021 -0.804 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.406 -1.017 1.361 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.837 -2.487 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.205 -4.425 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.452 -3.074 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.007 -3.336 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.821 -4.035 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.629 -3.009 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.257 -2.380 2.329 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.465 1.564 2.538 1.00 0.00 N ATOM 1482 CA VAL A 97 0.091 2.823 3.035 1.00 0.00 C ATOM 1483 C VAL A 97 1.037 2.540 4.216 1.00 0.00 C ATOM 1484 O VAL A 97 0.915 1.478 4.828 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.059 3.769 3.450 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -1.901 4.206 2.236 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -1.977 3.131 4.508 1.00 0.00 C ATOM 0 H VAL A 97 -0.591 0.875 3.279 1.00 0.00 H new ATOM 0 HA VAL A 97 0.667 3.311 2.249 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.586 4.649 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.699 4.870 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.266 4.730 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.335 3.327 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.771 3.830 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.416 2.218 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.395 2.892 5.398 1.00 0.00 H new ATOM 1497 N PRO A 98 1.975 3.438 4.556 1.00 0.00 N ATOM 1498 CA PRO A 98 2.796 3.335 5.752 1.00 0.00 C ATOM 1499 C PRO A 98 1.958 3.620 6.996 1.00 0.00 C ATOM 1500 O PRO A 98 1.384 4.702 7.122 1.00 0.00 O ATOM 1501 CB PRO A 98 3.934 4.348 5.608 1.00 0.00 C ATOM 1502 CG PRO A 98 3.590 5.183 4.379 1.00 0.00 C ATOM 1503 CD PRO A 98 2.272 4.651 3.835 1.00 0.00 C ATOM 0 HA PRO A 98 3.201 2.329 5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.016 4.974 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.893 3.845 5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.502 6.237 4.641 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.376 5.106 3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.476 5.384 3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.348 4.455 2.765 1.00 0.00 H new ATOM 1511 N HIS A 99 1.906 2.648 7.904 1.00 0.00 N ATOM 1512 CA HIS A 99 1.318 2.780 9.227 1.00 0.00 C ATOM 1513 C HIS A 99 2.268 3.598 10.111 1.00 0.00 C ATOM 1514 O HIS A 99 3.452 3.261 10.218 1.00 0.00 O ATOM 1515 CB HIS A 99 1.061 1.385 9.819 1.00 0.00 C ATOM 1516 CG HIS A 99 0.839 1.376 11.306 1.00 0.00 C ATOM 1517 ND1 HIS A 99 1.686 0.802 12.227 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.171 1.996 11.995 1.00 0.00 C ATOM 1519 CE1 HIS A 99 1.207 1.072 13.447 1.00 0.00 C ATOM 1520 NE2 HIS A 99 0.077 1.802 13.359 1.00 0.00 N ATOM 0 H HIS A 99 2.286 1.718 7.729 1.00 0.00 H new ATOM 0 HA HIS A 99 0.361 3.299 9.170 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.189 0.951 9.330 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.910 0.742 9.586 1.00 0.00 H new ATOM 0 HD1 HIS A 99 2.528 0.266 12.017 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.003 2.534 11.565 1.00 0.00 H new ATOM 0 HE1 HIS A 99 1.662 0.750 14.372 1.00 0.00 H new ATOM 1528 N VAL A 100 1.743 4.636 10.766 1.00 0.00 N ATOM 1529 CA VAL A 100 2.478 5.505 11.690 1.00 0.00 C ATOM 1530 C VAL A 100 1.667 5.766 12.978 1.00 0.00 C ATOM 1531 O VAL A 100 1.632 6.886 13.488 1.00 0.00 O ATOM 1532 CB VAL A 100 2.927 6.799 10.972 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.976 6.528 9.887 1.00 0.00 C ATOM 1534 CG2 VAL A 100 1.750 7.552 10.339 1.00 0.00 C ATOM 0 H VAL A 100 0.764 4.904 10.665 1.00 0.00 H new ATOM 0 HA VAL A 100 3.386 4.995 12.011 1.00 0.00 H new ATOM 0 HB VAL A 100 3.370 7.419 11.751 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.259 7.467 9.412 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.856 6.070 10.338 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.559 5.854 9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.117 8.453 9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.261 6.912 9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.035 7.827 11.114 1.00 0.00 H new ATOM 1544 N GLY A 101 0.978 4.752 13.512 1.00 0.00 N ATOM 1545 CA GLY A 101 0.215 4.914 14.751 1.00 0.00 C ATOM 1546 C GLY A 101 -1.038 5.774 14.568 1.00 0.00 C ATOM 1547 O GLY A 101 -1.528 6.360 15.530 1.00 0.00 O ATOM 0 H GLY A 101 0.934 3.817 13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.075 3.932 15.125 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.854 5.367 15.509 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.565 5.815 13.348 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.637 6.668 12.828 1.00 0.00 C ATOM 1553 C GLU A 102 -4.035 6.422 13.410 1.00 0.00 C ATOM 1554 O GLU A 102 -5.020 7.029 12.983 1.00 0.00 O ATOM 1555 CB GLU A 102 -2.686 6.435 11.327 1.00 0.00 C ATOM 1556 CG GLU A 102 -3.037 7.698 10.560 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.765 8.437 10.155 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -1.172 8.065 9.105 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -1.356 9.351 10.905 1.00 0.00 O ATOM 0 H GLU A 102 -1.218 5.188 12.622 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.395 7.691 13.117 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.719 6.063 10.987 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.421 5.661 11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.617 7.444 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.662 8.345 11.176 1.00 0.00 H new ATOM 1566 N THR A 103 -4.130 5.487 14.341 1.00 0.00 N ATOM 1567 CA THR A 103 -5.294 5.027 15.074 1.00 0.00 C ATOM 1568 C THR A 103 -6.262 4.290 14.135 1.00 0.00 C ATOM 1569 O THR A 103 -7.048 4.926 13.422 1.00 0.00 O ATOM 1570 CB THR A 103 -5.900 6.217 15.820 1.00 0.00 C ATOM 1571 OG1 THR A 103 -4.968 6.746 16.747 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.184 5.858 16.567 1.00 0.00 C ATOM 0 H THR A 103 -3.297 4.975 14.633 1.00 0.00 H new ATOM 0 HA THR A 103 -5.026 4.288 15.829 1.00 0.00 H new ATOM 0 HB THR A 103 -6.148 6.958 15.060 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.369 7.508 17.216 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.567 6.742 17.077 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.929 5.497 15.858 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.973 5.079 17.300 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.190 2.947 14.076 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.097 2.162 13.261 1.00 0.00 C ATOM 1582 C PRO A 104 -8.542 2.196 13.749 1.00 0.00 C ATOM 1583 O PRO A 104 -8.861 2.628 14.860 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.556 0.725 13.251 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.557 0.655 14.399 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.189 2.103 14.714 1.00 0.00 C ATOM 0 HA PRO A 104 -7.132 2.588 12.258 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.361 0.002 13.387 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.077 0.493 12.300 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.993 0.164 15.269 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.676 0.079 14.117 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.173 2.271 15.791 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.192 2.337 14.340 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.398 1.643 12.897 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.820 1.428 13.115 1.00 0.00 C ATOM 1596 C ILE A 105 -11.189 -0.048 12.916 1.00 0.00 C ATOM 1597 O ILE A 105 -12.237 -0.483 13.395 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.634 2.347 12.180 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.270 2.188 10.680 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.538 3.805 12.671 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.175 3.126 10.159 1.00 0.00 C ATOM 0 H ILE A 105 -9.097 1.313 11.980 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.064 1.683 14.146 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.677 2.034 12.233 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.953 1.159 10.509 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.171 2.347 10.088 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.114 4.451 12.008 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.937 3.875 13.683 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.495 4.121 12.670 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.001 2.929 9.101 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -10.491 4.161 10.289 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.254 2.955 10.716 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.347 -0.828 12.238 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.505 -2.257 12.032 1.00 0.00 C ATOM 1615 C ALA A 106 -9.125 -2.851 11.757 1.00 0.00 C ATOM 1616 O ALA A 106 -8.125 -2.132 11.701 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.450 -2.515 10.848 1.00 0.00 C ATOM 0 H ALA A 106 -9.502 -0.460 11.801 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.939 -2.724 12.916 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.563 -3.589 10.700 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.424 -2.073 11.057 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.034 -2.066 9.946 1.00 0.00 H new ATOM 1623 N TYR A 107 -9.083 -4.158 11.526 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.943 -4.874 10.978 1.00 0.00 C ATOM 1625 C TYR A 107 -8.481 -5.767 9.862 1.00 0.00 C ATOM 1626 O TYR A 107 -9.654 -6.156 9.860 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.244 -5.690 12.075 1.00 0.00 C ATOM 1628 CG TYR A 107 -6.400 -4.851 13.012 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -7.008 -4.126 14.053 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -5.013 -4.746 12.805 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -6.243 -3.269 14.860 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -4.239 -3.880 13.594 1.00 0.00 C ATOM 1633 CZ TYR A 107 -4.857 -3.133 14.628 1.00 0.00 C ATOM 1634 OH TYR A 107 -4.131 -2.283 15.401 1.00 0.00 O ATOM 0 H TYR A 107 -9.875 -4.770 11.724 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.194 -4.189 10.581 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.997 -6.222 12.656 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.611 -6.444 11.607 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -8.068 -4.229 14.232 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.540 -5.336 12.034 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.714 -2.714 15.658 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.178 -3.784 13.414 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.193 -2.303 15.117 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.607 -6.094 8.919 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.816 -7.045 7.838 1.00 0.00 C ATOM 1646 C ARG A 108 -6.714 -8.094 7.915 1.00 0.00 C ATOM 1647 O ARG A 108 -5.726 -7.908 8.640 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.839 -6.279 6.506 1.00 0.00 C ATOM 1649 CG ARG A 108 -9.270 -5.951 6.055 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.926 -7.165 5.392 1.00 0.00 C ATOM 1651 NE ARG A 108 -11.055 -6.755 4.551 1.00 0.00 N ATOM 1652 CZ ARG A 108 -12.334 -6.649 4.908 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -12.752 -7.042 6.105 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -13.193 -6.150 4.029 1.00 0.00 N ATOM 0 H ARG A 108 -6.677 -5.676 8.888 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.771 -7.564 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.271 -5.355 6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.344 -6.873 5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.863 -5.636 6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -9.253 -5.115 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.191 -7.696 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.271 -7.860 6.157 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.836 -6.525 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.089 -7.435 6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.736 -6.951 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -12.868 -5.859 3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.179 -6.057 4.275 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.865 -9.196 7.184 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.852 -10.228 7.041 1.00 0.00 C ATOM 1670 C ASN A 109 -5.832 -10.695 5.585 1.00 0.00 C ATOM 1671 O ASN A 109 -6.892 -10.840 4.970 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.178 -11.407 7.963 1.00 0.00 C ATOM 1673 CG ASN A 109 -5.293 -12.592 7.617 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -4.153 -12.673 8.052 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -5.767 -13.507 6.793 1.00 0.00 N ATOM 0 H ASN A 109 -7.719 -9.397 6.663 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.875 -9.830 7.315 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.026 -11.120 9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.227 -11.683 7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.181 -14.293 6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.720 -13.428 6.437 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.655 -11.023 5.060 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.428 -11.622 3.746 1.00 0.00 C ATOM 1684 C VAL A 110 -3.356 -12.717 3.873 1.00 0.00 C ATOM 1685 O VAL A 110 -2.739 -12.846 4.928 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.030 -10.522 2.738 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.261 -9.726 2.279 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.969 -9.537 3.263 1.00 0.00 C ATOM 0 H VAL A 110 -3.784 -10.870 5.568 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.339 -12.089 3.372 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.584 -11.059 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.954 -8.958 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.972 -10.399 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.733 -9.256 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.747 -8.798 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.349 -9.033 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.060 -10.082 3.516 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.126 -13.524 2.830 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.909 -14.324 2.697 1.00 0.00 C ATOM 1700 C LEU A 111 -1.110 -13.764 1.517 1.00 0.00 C ATOM 1701 O LEU A 111 -1.694 -13.247 0.557 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.237 -15.765 2.253 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.776 -16.836 3.190 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.747 -17.448 4.133 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -4.007 -16.379 3.955 1.00 0.00 C ATOM 0 H LEU A 111 -3.780 -13.639 2.056 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.391 -14.303 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.959 -15.678 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.320 -16.168 1.823 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.069 -17.640 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.229 -18.199 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.953 -17.915 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.323 -16.667 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.349 -17.182 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.758 -15.504 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.798 -16.122 3.251 1.00 0.00 H new ATOM 1717 N LEU A 112 0.191 -14.041 1.513 1.00 0.00 N ATOM 1718 CA LEU A 112 1.151 -13.663 0.482 1.00 0.00 C ATOM 1719 C LEU A 112 1.747 -14.940 -0.093 1.00 0.00 C ATOM 1720 O LEU A 112 1.993 -15.898 0.641 1.00 0.00 O ATOM 1721 CB LEU A 112 2.283 -12.818 1.096 1.00 0.00 C ATOM 1722 CG LEU A 112 2.756 -11.624 0.243 1.00 0.00 C ATOM 1723 CD1 LEU A 112 4.058 -11.117 0.861 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.004 -11.922 -1.242 1.00 0.00 C ATOM 0 H LEU A 112 0.627 -14.565 2.272 1.00 0.00 H new ATOM 0 HA LEU A 112 0.653 -13.079 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.949 -12.442 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.137 -13.468 1.285 1.00 0.00 H new ATOM 0 HG LEU A 112 1.946 -10.895 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.428 -10.269 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.875 -10.805 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.801 -11.915 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.333 -11.013 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.774 -12.688 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.081 -12.278 -1.701 1.00 0.00 H new ATOM 1736 N ARG A 113 2.026 -14.967 -1.394 1.00 0.00 N ATOM 1737 CA ARG A 113 2.782 -16.059 -1.998 1.00 0.00 C ATOM 1738 C ARG A 113 4.210 -16.027 -1.473 1.00 0.00 C ATOM 1739 O ARG A 113 4.896 -15.015 -1.625 1.00 0.00 O ATOM 1740 CB ARG A 113 2.758 -15.937 -3.528 1.00 0.00 C ATOM 1741 CG ARG A 113 1.454 -16.515 -4.099 1.00 0.00 C ATOM 1742 CD ARG A 113 0.866 -15.692 -5.244 1.00 0.00 C ATOM 1743 NE ARG A 113 1.634 -15.777 -6.502 1.00 0.00 N ATOM 1744 CZ ARG A 113 1.410 -14.984 -7.561 1.00 0.00 C ATOM 1745 NH1 ARG A 113 0.597 -13.943 -7.426 1.00 0.00 N ATOM 1746 NH2 ARG A 113 1.962 -15.231 -8.740 1.00 0.00 N ATOM 0 H ARG A 113 1.738 -14.242 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 113 2.327 -17.013 -1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 113 2.854 -14.890 -3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.612 -16.464 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.640 -17.530 -4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.717 -16.586 -3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.155 -16.026 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.809 -14.648 -4.935 1.00 0.00 H new ATOM 0 HE ARG A 113 2.374 -16.476 -6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.153 -13.756 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.416 -13.330 -8.221 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.573 -16.039 -8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.776 -14.613 -9.530 1.00 0.00 H new