USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -168:sc= -0.467 (180deg=-0.718) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 178:sc= 1.22 USER MOD Single : A 23 THR OG1 : rot -7:sc= 0.444 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 1.06 (180deg=0.955) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0117 K(o=-0.012,f=-1.2) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.404 K(o=0.4,f=-5.6!) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= -0.0207 (180deg=-0.157) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.68) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -161:sc= 0 (180deg=-0.647) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0165) USER MOD Single : A 63 SER OG : rot 180:sc= 0.00716 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.015 (180deg=-0.186) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0899 X(o=-0.09,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -1.794 -8.750 -8.780 1.00 0.00 N ATOM 84 CA TYR A 9 -1.539 -9.049 -7.369 1.00 0.00 C ATOM 85 C TYR A 9 -1.503 -10.554 -7.100 1.00 0.00 C ATOM 86 O TYR A 9 -0.732 -11.005 -6.262 1.00 0.00 O ATOM 87 CB TYR A 9 -2.580 -8.380 -6.465 1.00 0.00 C ATOM 88 CG TYR A 9 -4.013 -8.762 -6.766 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.739 -8.106 -7.782 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.609 -9.805 -6.039 1.00 0.00 C ATOM 91 CE1 TYR A 9 -6.045 -8.520 -8.095 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.922 -10.202 -6.325 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.636 -9.581 -7.375 1.00 0.00 C ATOM 94 OH TYR A 9 -7.884 -10.019 -7.687 1.00 0.00 O ATOM 0 HA TYR A 9 -0.555 -8.642 -7.135 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.360 -8.635 -5.428 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.479 -7.298 -6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.290 -7.284 -8.320 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.054 -10.302 -5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.595 -8.028 -8.884 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.389 -10.983 -5.743 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.131 -10.756 -7.090 1.00 0.00 H new ATOM 104 N GLU A 10 -2.298 -11.326 -7.836 1.00 0.00 N ATOM 105 CA GLU A 10 -2.373 -12.779 -7.778 1.00 0.00 C ATOM 106 C GLU A 10 -1.051 -13.483 -8.121 1.00 0.00 C ATOM 107 O GLU A 10 -0.820 -14.590 -7.636 1.00 0.00 O ATOM 108 CB GLU A 10 -3.501 -13.238 -8.700 1.00 0.00 C ATOM 109 CG GLU A 10 -3.286 -12.872 -10.177 1.00 0.00 C ATOM 110 CD GLU A 10 -4.615 -12.808 -10.919 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.465 -13.708 -10.762 1.00 0.00 O ATOM 112 OE2 GLU A 10 -4.851 -11.795 -11.614 1.00 0.00 O ATOM 0 H GLU A 10 -2.940 -10.932 -8.524 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.579 -13.064 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.609 -14.319 -8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.438 -12.797 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.779 -11.910 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.637 -13.610 -10.648 1.00 0.00 H new ATOM 119 N LEU A 11 -0.172 -12.847 -8.902 1.00 0.00 N ATOM 120 CA LEU A 11 1.199 -13.297 -9.158 1.00 0.00 C ATOM 121 C LEU A 11 1.996 -13.147 -7.862 1.00 0.00 C ATOM 122 O LEU A 11 2.556 -14.107 -7.325 1.00 0.00 O ATOM 123 CB LEU A 11 1.812 -12.457 -10.304 1.00 0.00 C ATOM 124 CG LEU A 11 3.120 -12.957 -10.956 1.00 0.00 C ATOM 125 CD1 LEU A 11 4.321 -13.139 -10.021 1.00 0.00 C ATOM 126 CD2 LEU A 11 2.911 -14.271 -11.698 1.00 0.00 C ATOM 0 H LEU A 11 -0.402 -11.980 -9.387 1.00 0.00 H new ATOM 0 HA LEU A 11 1.219 -14.342 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.062 -12.367 -11.089 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.994 -11.453 -9.921 1.00 0.00 H new ATOM 0 HG LEU A 11 3.369 -12.140 -11.633 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.178 -13.493 -10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.566 -12.185 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.074 -13.868 -9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.853 -14.591 -12.143 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.563 -15.032 -11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.168 -14.131 -12.483 1.00 0.00 H new ATOM 138 N TYR A 12 2.015 -11.918 -7.347 1.00 0.00 N ATOM 139 CA TYR A 12 2.759 -11.491 -6.168 1.00 0.00 C ATOM 140 C TYR A 12 2.105 -11.953 -4.861 1.00 0.00 C ATOM 141 O TYR A 12 2.535 -11.563 -3.773 1.00 0.00 O ATOM 142 CB TYR A 12 2.878 -9.963 -6.176 1.00 0.00 C ATOM 143 CG TYR A 12 3.134 -9.313 -7.518 1.00 0.00 C ATOM 144 CD1 TYR A 12 4.123 -9.817 -8.379 1.00 0.00 C ATOM 145 CD2 TYR A 12 2.327 -8.239 -7.929 1.00 0.00 C ATOM 146 CE1 TYR A 12 4.247 -9.317 -9.685 1.00 0.00 C ATOM 147 CE2 TYR A 12 2.470 -7.703 -9.215 1.00 0.00 C ATOM 148 CZ TYR A 12 3.421 -8.251 -10.106 1.00 0.00 C ATOM 149 OH TYR A 12 3.565 -7.708 -11.343 1.00 0.00 O ATOM 0 H TYR A 12 1.483 -11.155 -7.765 1.00 0.00 H new ATOM 0 HA TYR A 12 3.745 -11.953 -6.213 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.958 -9.547 -5.765 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.685 -9.680 -5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.791 -10.593 -8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.594 -7.826 -7.252 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.970 -9.745 -10.364 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.854 -6.872 -9.526 1.00 0.00 H new ATOM 0 HH TYR A 12 2.912 -6.987 -11.462 1.00 0.00 H new ATOM 159 N MET A 13 1.047 -12.761 -4.931 1.00 0.00 N ATOM 160 CA MET A 13 0.334 -13.301 -3.796 1.00 0.00 C ATOM 161 C MET A 13 1.256 -14.186 -2.950 1.00 0.00 C ATOM 162 O MET A 13 0.992 -14.361 -1.758 1.00 0.00 O ATOM 163 CB MET A 13 -0.866 -14.084 -4.341 1.00 0.00 C ATOM 164 CG MET A 13 -2.079 -14.034 -3.422 1.00 0.00 C ATOM 165 SD MET A 13 -3.263 -12.673 -3.691 1.00 0.00 S ATOM 166 CE MET A 13 -2.338 -11.206 -3.155 1.00 0.00 C ATOM 0 H MET A 13 0.655 -13.064 -5.822 1.00 0.00 H new ATOM 0 HA MET A 13 -0.014 -12.504 -3.139 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.140 -13.684 -5.317 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.575 -15.123 -4.493 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.618 -14.977 -3.520 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.723 -13.976 -2.393 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.018 -10.358 -3.071 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.878 -11.400 -2.186 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.562 -10.978 -3.886 1.00 0.00 H new ATOM 176 N TYR A 14 2.340 -14.698 -3.542 1.00 0.00 N ATOM 177 CA TYR A 14 3.327 -15.579 -2.924 1.00 0.00 C ATOM 178 C TYR A 14 4.698 -14.897 -2.938 1.00 0.00 C ATOM 179 O TYR A 14 5.321 -14.753 -1.883 1.00 0.00 O ATOM 180 CB TYR A 14 3.361 -16.943 -3.635 1.00 0.00 C ATOM 181 CG TYR A 14 2.018 -17.407 -4.158 1.00 0.00 C ATOM 182 CD1 TYR A 14 1.093 -18.051 -3.315 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.686 -17.148 -5.499 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.157 -18.449 -3.823 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.443 -17.542 -6.011 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.483 -18.200 -5.175 1.00 0.00 C ATOM 187 OH TYR A 14 -1.680 -18.597 -5.680 1.00 0.00 O ATOM 0 H TYR A 14 2.561 -14.496 -4.517 1.00 0.00 H new ATOM 0 HA TYR A 14 3.047 -15.767 -1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.063 -16.888 -4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.746 -17.691 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.342 -18.239 -2.281 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.394 -16.642 -6.139 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.868 -18.945 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.194 -17.342 -7.043 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.737 -18.344 -6.625 1.00 0.00 H new ATOM 197 N ARG A 15 5.151 -14.461 -4.122 1.00 0.00 N ATOM 198 CA ARG A 15 6.467 -13.869 -4.354 1.00 0.00 C ATOM 199 C ARG A 15 6.688 -12.663 -3.433 1.00 0.00 C ATOM 200 O ARG A 15 5.771 -11.885 -3.173 1.00 0.00 O ATOM 201 CB ARG A 15 6.576 -13.471 -5.844 1.00 0.00 C ATOM 202 CG ARG A 15 7.923 -13.762 -6.532 1.00 0.00 C ATOM 203 CD ARG A 15 9.079 -13.065 -5.820 1.00 0.00 C ATOM 204 NE ARG A 15 10.226 -12.769 -6.683 1.00 0.00 N ATOM 205 CZ ARG A 15 11.368 -12.218 -6.261 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.598 -12.028 -4.962 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.283 -11.871 -7.150 1.00 0.00 N ATOM 0 H ARG A 15 4.588 -14.515 -4.971 1.00 0.00 H new ATOM 0 HA ARG A 15 7.246 -14.595 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.792 -13.990 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.372 -12.404 -5.929 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.100 -14.837 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.881 -13.431 -7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.715 -12.134 -5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.413 -13.692 -4.993 1.00 0.00 H new ATOM 0 HE ARG A 15 10.147 -12.999 -7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.897 -12.304 -4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.475 -11.606 -4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.113 -12.025 -8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.159 -11.449 -6.842 1.00 0.00 H new ATOM 221 N GLU A 16 7.923 -12.500 -2.968 1.00 0.00 N ATOM 222 CA GLU A 16 8.347 -11.348 -2.176 1.00 0.00 C ATOM 223 C GLU A 16 8.550 -10.095 -3.027 1.00 0.00 C ATOM 224 O GLU A 16 8.667 -10.156 -4.254 1.00 0.00 O ATOM 225 CB GLU A 16 9.646 -11.664 -1.417 1.00 0.00 C ATOM 226 CG GLU A 16 9.449 -12.812 -0.421 1.00 0.00 C ATOM 227 CD GLU A 16 10.673 -13.057 0.458 1.00 0.00 C ATOM 228 OE1 GLU A 16 11.815 -13.089 -0.057 1.00 0.00 O ATOM 229 OE2 GLU A 16 10.503 -13.214 1.688 1.00 0.00 O ATOM 0 H GLU A 16 8.670 -13.175 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 16 7.543 -11.144 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.429 -11.928 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.984 -10.774 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.591 -12.591 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.214 -13.724 -0.969 1.00 0.00 H new ATOM 236 N VAL A 17 8.687 -8.961 -2.345 1.00 0.00 N ATOM 237 CA VAL A 17 9.060 -7.684 -2.918 1.00 0.00 C ATOM 238 C VAL A 17 9.944 -6.971 -1.890 1.00 0.00 C ATOM 239 O VAL A 17 9.857 -7.225 -0.682 1.00 0.00 O ATOM 240 CB VAL A 17 7.783 -6.907 -3.324 1.00 0.00 C ATOM 241 CG1 VAL A 17 6.798 -6.761 -2.157 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.087 -5.522 -3.911 1.00 0.00 C ATOM 0 H VAL A 17 8.534 -8.912 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 17 9.637 -7.782 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 17 7.320 -7.511 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.919 -6.210 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.497 -7.749 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.278 -6.220 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.153 -5.026 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.619 -4.922 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.705 -5.632 -4.802 1.00 0.00 H new ATOM 252 N ASP A 18 10.809 -6.081 -2.362 1.00 0.00 N ATOM 253 CA ASP A 18 11.636 -5.225 -1.525 1.00 0.00 C ATOM 254 C ASP A 18 10.796 -4.017 -1.168 1.00 0.00 C ATOM 255 O ASP A 18 10.678 -3.091 -1.969 1.00 0.00 O ATOM 256 CB ASP A 18 12.911 -4.812 -2.270 1.00 0.00 C ATOM 257 CG ASP A 18 13.847 -5.997 -2.365 1.00 0.00 C ATOM 258 OD1 ASP A 18 14.175 -6.577 -1.308 1.00 0.00 O ATOM 259 OD2 ASP A 18 14.125 -6.461 -3.493 1.00 0.00 O ATOM 0 H ASP A 18 10.957 -5.932 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 18 11.955 -5.748 -0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.661 -4.452 -3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.400 -3.990 -1.747 1.00 0.00 H new ATOM 264 N THR A 19 10.168 -4.020 0.008 1.00 0.00 N ATOM 265 CA THR A 19 9.209 -2.975 0.349 1.00 0.00 C ATOM 266 C THR A 19 9.869 -1.582 0.390 1.00 0.00 C ATOM 267 O THR A 19 9.185 -0.577 0.191 1.00 0.00 O ATOM 268 CB THR A 19 8.467 -3.348 1.646 1.00 0.00 C ATOM 269 OG1 THR A 19 9.345 -3.502 2.743 1.00 0.00 O ATOM 270 CG2 THR A 19 7.679 -4.659 1.496 1.00 0.00 C ATOM 0 H THR A 19 10.305 -4.726 0.731 1.00 0.00 H new ATOM 0 HA THR A 19 8.459 -2.906 -0.439 1.00 0.00 H new ATOM 0 HB THR A 19 7.786 -2.518 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.827 -3.702 3.551 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.170 -4.887 2.433 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.943 -4.552 0.700 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.365 -5.470 1.249 1.00 0.00 H new ATOM 278 N LEU A 20 11.192 -1.510 0.590 1.00 0.00 N ATOM 279 CA LEU A 20 11.984 -0.290 0.513 1.00 0.00 C ATOM 280 C LEU A 20 12.144 0.182 -0.929 1.00 0.00 C ATOM 281 O LEU A 20 11.921 1.357 -1.199 1.00 0.00 O ATOM 282 CB LEU A 20 13.372 -0.526 1.135 1.00 0.00 C ATOM 283 CG LEU A 20 13.525 -0.101 2.607 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.288 1.397 2.827 1.00 0.00 C ATOM 285 CD2 LEU A 20 12.634 -0.927 3.540 1.00 0.00 C ATOM 0 H LEU A 20 11.753 -2.331 0.817 1.00 0.00 H new ATOM 0 HA LEU A 20 11.457 0.486 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.610 -1.587 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.112 0.012 0.542 1.00 0.00 H new ATOM 0 HG LEU A 20 14.566 -0.303 2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.410 1.633 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.008 1.969 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.277 1.656 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.775 -0.593 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.590 -0.797 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.903 -1.980 3.461 1.00 0.00 H new ATOM 297 N GLU A 21 12.541 -0.693 -1.852 1.00 0.00 N ATOM 298 CA GLU A 21 12.694 -0.323 -3.258 1.00 0.00 C ATOM 299 C GLU A 21 11.333 0.059 -3.847 1.00 0.00 C ATOM 300 O GLU A 21 11.224 0.971 -4.668 1.00 0.00 O ATOM 301 CB GLU A 21 13.341 -1.480 -4.017 1.00 0.00 C ATOM 302 CG GLU A 21 13.551 -1.163 -5.503 1.00 0.00 C ATOM 303 CD GLU A 21 14.904 -1.673 -5.984 1.00 0.00 C ATOM 304 OE1 GLU A 21 15.890 -0.935 -5.761 1.00 0.00 O ATOM 305 OE2 GLU A 21 14.980 -2.778 -6.578 1.00 0.00 O ATOM 0 H GLU A 21 12.763 -1.668 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 21 13.345 0.546 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.302 -1.718 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.715 -2.367 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.756 -1.620 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.487 -0.087 -5.662 1.00 0.00 H new ATOM 312 N LEU A 22 10.278 -0.610 -3.382 1.00 0.00 N ATOM 313 CA LEU A 22 8.909 -0.299 -3.728 1.00 0.00 C ATOM 314 C LEU A 22 8.552 1.127 -3.303 1.00 0.00 C ATOM 315 O LEU A 22 8.093 1.893 -4.147 1.00 0.00 O ATOM 316 CB LEU A 22 7.985 -1.368 -3.135 1.00 0.00 C ATOM 317 CG LEU A 22 6.495 -1.068 -3.343 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.110 -1.013 -4.810 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.648 -2.141 -2.665 1.00 0.00 C ATOM 0 H LEU A 22 10.363 -1.399 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 22 8.777 -0.322 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.220 -2.332 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.184 -1.458 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 22 6.310 -0.088 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.045 -0.798 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.681 -0.229 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.326 -1.973 -5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.591 -1.921 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.881 -3.115 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.865 -2.155 -1.597 1.00 0.00 H new ATOM 331 N THR A 23 8.737 1.521 -2.031 1.00 0.00 N ATOM 332 CA THR A 23 8.441 2.901 -1.650 1.00 0.00 C ATOM 333 C THR A 23 9.331 3.848 -2.439 1.00 0.00 C ATOM 334 O THR A 23 8.854 4.865 -2.926 1.00 0.00 O ATOM 335 CB THR A 23 8.593 3.149 -0.145 1.00 0.00 C ATOM 336 OG1 THR A 23 9.846 2.713 0.316 1.00 0.00 O ATOM 337 CG2 THR A 23 7.508 2.429 0.639 1.00 0.00 C ATOM 0 H THR A 23 9.078 0.924 -1.278 1.00 0.00 H new ATOM 0 HA THR A 23 7.394 3.089 -1.889 1.00 0.00 H new ATOM 0 HB THR A 23 8.503 4.224 0.012 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.315 2.245 -0.406 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.640 2.622 1.704 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.530 2.791 0.323 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.576 1.357 0.453 1.00 0.00 H new ATOM 345 N ARG A 24 10.613 3.529 -2.577 1.00 0.00 N ATOM 346 CA ARG A 24 11.579 4.349 -3.318 1.00 0.00 C ATOM 347 C ARG A 24 11.110 4.688 -4.727 1.00 0.00 C ATOM 348 O ARG A 24 11.095 5.871 -5.087 1.00 0.00 O ATOM 349 CB ARG A 24 12.945 3.667 -3.338 1.00 0.00 C ATOM 350 CG ARG A 24 13.706 4.125 -2.095 1.00 0.00 C ATOM 351 CD ARG A 24 14.731 3.097 -1.646 1.00 0.00 C ATOM 352 NE ARG A 24 15.952 3.776 -1.200 1.00 0.00 N ATOM 353 CZ ARG A 24 17.057 3.955 -1.931 1.00 0.00 C ATOM 354 NH1 ARG A 24 17.247 3.318 -3.082 1.00 0.00 N ATOM 355 NH2 ARG A 24 17.970 4.823 -1.522 1.00 0.00 N ATOM 0 H ARG A 24 11.021 2.685 -2.175 1.00 0.00 H new ATOM 0 HA ARG A 24 11.666 5.300 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.832 2.583 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.493 3.932 -4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.207 5.070 -2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.000 4.311 -1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.323 2.493 -0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.961 2.417 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 24 15.959 4.144 -0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.539 2.672 -3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.101 3.476 -3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.826 5.346 -0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.817 4.969 -2.071 1.00 0.00 H new ATOM 369 N GLN A 25 10.731 3.684 -5.516 1.00 0.00 N ATOM 370 CA GLN A 25 10.188 3.901 -6.853 1.00 0.00 C ATOM 371 C GLN A 25 8.945 4.780 -6.766 1.00 0.00 C ATOM 372 O GLN A 25 8.862 5.787 -7.471 1.00 0.00 O ATOM 373 CB GLN A 25 9.900 2.550 -7.531 1.00 0.00 C ATOM 374 CG GLN A 25 11.184 1.922 -8.083 1.00 0.00 C ATOM 375 CD GLN A 25 11.375 2.179 -9.580 1.00 0.00 C ATOM 376 OE1 GLN A 25 11.039 1.353 -10.419 1.00 0.00 O ATOM 377 NE2 GLN A 25 11.964 3.297 -9.973 1.00 0.00 N ATOM 0 H GLN A 25 10.792 2.702 -5.247 1.00 0.00 H new ATOM 0 HA GLN A 25 10.919 4.423 -7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.439 1.871 -6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.184 2.692 -8.341 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.041 2.320 -7.539 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.163 0.847 -7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.249 3.993 -9.284 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.133 3.463 -10.965 1.00 0.00 H new ATOM 386 N VAL A 26 8.013 4.424 -5.879 1.00 0.00 N ATOM 387 CA VAL A 26 6.775 5.153 -5.657 1.00 0.00 C ATOM 388 C VAL A 26 7.064 6.645 -5.395 1.00 0.00 C ATOM 389 O VAL A 26 6.515 7.511 -6.073 1.00 0.00 O ATOM 390 CB VAL A 26 5.987 4.439 -4.528 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.880 5.292 -3.915 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.368 3.125 -5.015 1.00 0.00 C ATOM 0 H VAL A 26 8.106 3.601 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 26 6.143 5.146 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 26 6.732 4.245 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.374 4.725 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.313 6.196 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.161 5.565 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.824 2.654 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.682 3.329 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.157 2.456 -5.359 1.00 0.00 H new ATOM 402 N LYS A 27 7.925 6.959 -4.423 1.00 0.00 N ATOM 403 CA LYS A 27 8.231 8.304 -3.933 1.00 0.00 C ATOM 404 C LYS A 27 8.776 9.187 -5.046 1.00 0.00 C ATOM 405 O LYS A 27 8.344 10.339 -5.139 1.00 0.00 O ATOM 406 CB LYS A 27 9.186 8.210 -2.725 1.00 0.00 C ATOM 407 CG LYS A 27 8.427 7.771 -1.456 1.00 0.00 C ATOM 408 CD LYS A 27 9.226 6.889 -0.486 1.00 0.00 C ATOM 409 CE LYS A 27 10.365 7.529 0.291 1.00 0.00 C ATOM 410 NZ LYS A 27 9.903 8.399 1.384 1.00 0.00 N ATOM 0 H LYS A 27 8.456 6.241 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 27 7.312 8.782 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.983 7.499 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.659 9.177 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.098 8.663 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.530 7.230 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.526 6.468 0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.638 6.056 -1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.001 6.745 0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.981 8.112 -0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.705 8.947 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.175 9.049 1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.502 7.816 2.146 1.00 0.00 H new ATOM 424 N GLU A 28 9.664 8.659 -5.894 1.00 0.00 N ATOM 425 CA GLU A 28 10.129 9.386 -7.069 1.00 0.00 C ATOM 426 C GLU A 28 8.985 9.625 -8.046 1.00 0.00 C ATOM 427 O GLU A 28 8.759 10.769 -8.430 1.00 0.00 O ATOM 428 CB GLU A 28 11.258 8.637 -7.792 1.00 0.00 C ATOM 429 CG GLU A 28 12.658 9.159 -7.444 1.00 0.00 C ATOM 430 CD GLU A 28 13.562 9.125 -8.683 1.00 0.00 C ATOM 431 OE1 GLU A 28 13.801 8.012 -9.201 1.00 0.00 O ATOM 432 OE2 GLU A 28 13.971 10.220 -9.152 1.00 0.00 O ATOM 0 H GLU A 28 10.072 7.731 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 28 10.515 10.342 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.201 7.578 -7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.106 8.717 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.589 10.178 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.093 8.551 -6.651 1.00 0.00 H new ATOM 439 N LYS A 29 8.281 8.566 -8.467 1.00 0.00 N ATOM 440 CA LYS A 29 7.247 8.660 -9.497 1.00 0.00 C ATOM 441 C LYS A 29 6.199 9.700 -9.112 1.00 0.00 C ATOM 442 O LYS A 29 5.770 10.491 -9.951 1.00 0.00 O ATOM 443 CB LYS A 29 6.644 7.265 -9.734 1.00 0.00 C ATOM 444 CG LYS A 29 5.590 7.267 -10.856 1.00 0.00 C ATOM 445 CD LYS A 29 5.594 5.967 -11.683 1.00 0.00 C ATOM 446 CE LYS A 29 5.585 6.208 -13.194 1.00 0.00 C ATOM 447 NZ LYS A 29 4.293 6.731 -13.694 1.00 0.00 N ATOM 0 H LYS A 29 8.415 7.623 -8.102 1.00 0.00 H new ATOM 0 HA LYS A 29 7.683 8.999 -10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.441 6.566 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.188 6.907 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.602 7.411 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.773 8.114 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.475 5.381 -11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.723 5.370 -11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.377 6.912 -13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.814 5.273 -13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.351 6.873 -14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.537 6.050 -13.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.083 7.638 -13.231 1.00 0.00 H new ATOM 461 N LEU A 30 5.831 9.725 -7.833 1.00 0.00 N ATOM 462 CA LEU A 30 4.891 10.685 -7.293 1.00 0.00 C ATOM 463 C LEU A 30 5.434 12.095 -7.446 1.00 0.00 C ATOM 464 O LEU A 30 4.742 12.947 -7.994 1.00 0.00 O ATOM 465 CB LEU A 30 4.667 10.431 -5.798 1.00 0.00 C ATOM 466 CG LEU A 30 3.839 9.180 -5.502 1.00 0.00 C ATOM 467 CD1 LEU A 30 4.152 8.714 -4.088 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.346 9.475 -5.620 1.00 0.00 C ATOM 0 H LEU A 30 6.186 9.067 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 30 3.954 10.576 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.635 10.340 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.168 11.297 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 30 4.093 8.405 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.569 7.822 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.214 8.483 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.898 9.503 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.778 8.570 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.072 10.253 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.121 9.813 -6.632 1.00 0.00 H new ATOM 480 N ALA A 31 6.645 12.341 -6.933 1.00 0.00 N ATOM 481 CA ALA A 31 7.254 13.662 -6.896 1.00 0.00 C ATOM 482 C ALA A 31 7.474 14.200 -8.312 1.00 0.00 C ATOM 483 O ALA A 31 7.289 15.396 -8.542 1.00 0.00 O ATOM 484 CB ALA A 31 8.571 13.591 -6.120 1.00 0.00 C ATOM 0 H ALA A 31 7.233 11.613 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 31 6.582 14.353 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.030 14.579 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.376 13.251 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.247 12.892 -6.613 1.00 0.00 H new ATOM 490 N LYS A 32 7.795 13.328 -9.276 1.00 0.00 N ATOM 491 CA LYS A 32 7.871 13.654 -10.699 1.00 0.00 C ATOM 492 C LYS A 32 6.579 14.350 -11.131 1.00 0.00 C ATOM 493 O LYS A 32 6.603 15.419 -11.742 1.00 0.00 O ATOM 494 CB LYS A 32 8.106 12.365 -11.515 1.00 0.00 C ATOM 495 CG LYS A 32 8.541 12.724 -12.937 1.00 0.00 C ATOM 496 CD LYS A 32 8.490 11.576 -13.950 1.00 0.00 C ATOM 497 CE LYS A 32 9.319 10.355 -13.546 1.00 0.00 C ATOM 498 NZ LYS A 32 9.382 9.363 -14.640 1.00 0.00 N ATOM 0 H LYS A 32 8.014 12.352 -9.079 1.00 0.00 H new ATOM 0 HA LYS A 32 8.706 14.331 -10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.870 11.754 -11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.193 11.770 -11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.907 13.534 -13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.560 13.109 -12.901 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.453 11.270 -14.085 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.844 11.940 -14.915 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.328 10.670 -13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.884 9.894 -12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.951 8.547 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.420 9.046 -14.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.820 9.797 -15.478 1.00 0.00 H new ATOM 512 N ASN A 33 5.444 13.754 -10.783 1.00 0.00 N ATOM 513 CA ASN A 33 4.114 14.227 -11.127 1.00 0.00 C ATOM 514 C ASN A 33 3.582 15.235 -10.099 1.00 0.00 C ATOM 515 O ASN A 33 2.419 15.622 -10.183 1.00 0.00 O ATOM 516 CB ASN A 33 3.174 13.019 -11.225 1.00 0.00 C ATOM 517 CG ASN A 33 3.491 12.055 -12.362 1.00 0.00 C ATOM 518 OD1 ASN A 33 4.565 12.042 -12.969 1.00 0.00 O ATOM 519 ND2 ASN A 33 2.555 11.189 -12.656 1.00 0.00 N ATOM 0 H ASN A 33 5.428 12.895 -10.232 1.00 0.00 H new ATOM 0 HA ASN A 33 4.164 14.746 -12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.208 12.472 -10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.153 13.380 -11.347 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.711 10.499 -13.390 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.669 11.204 -12.151 1.00 0.00 H new ATOM 526 N GLY A 34 4.370 15.642 -9.097 1.00 0.00 N ATOM 527 CA GLY A 34 3.921 16.559 -8.053 1.00 0.00 C ATOM 528 C GLY A 34 2.749 16.016 -7.220 1.00 0.00 C ATOM 529 O GLY A 34 1.975 16.805 -6.674 1.00 0.00 O ATOM 0 H GLY A 34 5.339 15.342 -8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.757 16.778 -7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.623 17.502 -8.512 1.00 0.00 H new ATOM 533 N ILE A 35 2.557 14.695 -7.146 1.00 0.00 N ATOM 534 CA ILE A 35 1.455 14.103 -6.395 1.00 0.00 C ATOM 535 C ILE A 35 1.780 14.177 -4.903 1.00 0.00 C ATOM 536 O ILE A 35 2.831 13.700 -4.463 1.00 0.00 O ATOM 537 CB ILE A 35 1.167 12.657 -6.845 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.646 12.671 -8.297 1.00 0.00 C ATOM 539 CG2 ILE A 35 0.145 11.985 -5.897 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.406 11.269 -8.855 1.00 0.00 C ATOM 0 H ILE A 35 3.160 14.012 -7.604 1.00 0.00 H new ATOM 0 HA ILE A 35 0.544 14.668 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 35 2.088 12.075 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.284 13.238 -8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.364 13.191 -8.931 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.045 10.965 -6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.546 11.966 -4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.787 12.550 -5.907 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.040 11.343 -9.879 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.340 10.708 -8.843 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.334 10.755 -8.242 1.00 0.00 H new ATOM 552 N CYS A 36 0.834 14.693 -4.118 1.00 0.00 N ATOM 553 CA CYS A 36 0.844 14.564 -2.672 1.00 0.00 C ATOM 554 C CYS A 36 0.588 13.101 -2.295 1.00 0.00 C ATOM 555 O CYS A 36 -0.510 12.579 -2.512 1.00 0.00 O ATOM 556 CB CYS A 36 -0.212 15.492 -2.055 1.00 0.00 C ATOM 557 SG CYS A 36 0.270 17.224 -2.313 1.00 0.00 S ATOM 0 H CYS A 36 0.035 15.216 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 36 1.817 14.859 -2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.185 15.304 -2.509 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.312 15.287 -0.989 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.628 18.007 -1.791 1.00 0.00 H new ATOM 563 N GLN A 37 1.589 12.457 -1.688 1.00 0.00 N ATOM 564 CA GLN A 37 1.566 11.067 -1.216 1.00 0.00 C ATOM 565 C GLN A 37 0.326 10.798 -0.361 1.00 0.00 C ATOM 566 O GLN A 37 -0.326 9.764 -0.476 1.00 0.00 O ATOM 567 CB GLN A 37 2.818 10.754 -0.367 1.00 0.00 C ATOM 568 CG GLN A 37 4.163 11.227 -0.946 1.00 0.00 C ATOM 569 CD GLN A 37 4.571 12.600 -0.409 1.00 0.00 C ATOM 570 OE1 GLN A 37 3.735 13.479 -0.215 1.00 0.00 O ATOM 571 NE2 GLN A 37 5.847 12.832 -0.161 1.00 0.00 N ATOM 0 H GLN A 37 2.483 12.913 -1.503 1.00 0.00 H new ATOM 0 HA GLN A 37 1.548 10.429 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.689 11.208 0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.870 9.676 -0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.937 10.499 -0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.094 11.269 -2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.539 12.101 -0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.140 13.743 0.192 1.00 0.00 H new ATOM 580 N ARG A 38 -0.018 11.788 0.461 1.00 0.00 N ATOM 581 CA ARG A 38 -1.177 11.829 1.335 1.00 0.00 C ATOM 582 C ARG A 38 -2.455 11.391 0.607 1.00 0.00 C ATOM 583 O ARG A 38 -3.197 10.551 1.105 1.00 0.00 O ATOM 584 CB ARG A 38 -1.259 13.277 1.847 1.00 0.00 C ATOM 585 CG ARG A 38 -2.124 13.449 3.094 1.00 0.00 C ATOM 586 CD ARG A 38 -2.997 14.706 2.980 1.00 0.00 C ATOM 587 NE ARG A 38 -4.188 14.465 2.150 1.00 0.00 N ATOM 588 CZ ARG A 38 -5.245 13.758 2.573 1.00 0.00 C ATOM 589 NH1 ARG A 38 -5.258 13.248 3.806 1.00 0.00 N ATOM 590 NH2 ARG A 38 -6.269 13.543 1.756 1.00 0.00 N ATOM 0 H ARG A 38 0.545 12.635 0.535 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.079 11.129 2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.252 13.632 2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.655 13.910 1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.757 12.572 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.488 13.521 3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.305 15.027 3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.411 15.519 2.550 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.210 14.855 1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.463 13.396 4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.063 12.710 4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.251 13.916 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.074 13.005 2.077 1.00 0.00 H new ATOM 604 N ILE A 39 -2.724 11.973 -0.561 1.00 0.00 N ATOM 605 CA ILE A 39 -3.949 11.752 -1.321 1.00 0.00 C ATOM 606 C ILE A 39 -3.878 10.391 -2.015 1.00 0.00 C ATOM 607 O ILE A 39 -4.890 9.693 -2.062 1.00 0.00 O ATOM 608 CB ILE A 39 -4.110 12.900 -2.348 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.198 14.280 -1.657 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.304 12.655 -3.293 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.182 15.442 -2.655 1.00 0.00 C ATOM 0 H ILE A 39 -2.082 12.624 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.816 11.749 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.210 12.909 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.112 14.328 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.363 14.389 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.385 13.481 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.150 11.725 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.222 12.586 -2.709 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.246 16.387 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.256 15.415 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.032 15.352 -3.331 1.00 0.00 H new ATOM 623 N PHE A 40 -2.712 9.999 -2.545 1.00 0.00 N ATOM 624 CA PHE A 40 -2.531 8.659 -3.101 1.00 0.00 C ATOM 625 C PHE A 40 -2.944 7.622 -2.065 1.00 0.00 C ATOM 626 O PHE A 40 -3.722 6.716 -2.358 1.00 0.00 O ATOM 627 CB PHE A 40 -1.071 8.421 -3.505 1.00 0.00 C ATOM 628 CG PHE A 40 -0.687 6.954 -3.642 1.00 0.00 C ATOM 629 CD1 PHE A 40 -1.018 6.226 -4.799 1.00 0.00 C ATOM 630 CD2 PHE A 40 -0.003 6.306 -2.593 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.635 4.875 -4.911 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.474 5.000 -2.760 1.00 0.00 C ATOM 633 CZ PHE A 40 0.141 4.270 -3.907 1.00 0.00 C ATOM 0 H PHE A 40 -1.884 10.592 -2.599 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.153 8.569 -3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.883 8.923 -4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.421 8.886 -2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.565 6.702 -5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.154 6.820 -1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.939 4.301 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.101 4.555 -2.002 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.478 3.250 -4.020 1.00 0.00 H new ATOM 643 N GLY A 41 -2.412 7.764 -0.855 1.00 0.00 N ATOM 644 CA GLY A 41 -2.776 6.925 0.262 1.00 0.00 C ATOM 645 C GLY A 41 -4.286 6.904 0.466 1.00 0.00 C ATOM 646 O GLY A 41 -4.879 5.834 0.533 1.00 0.00 O ATOM 0 H GLY A 41 -1.713 8.471 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.415 5.911 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.289 7.288 1.167 1.00 0.00 H new ATOM 650 N GLU A 42 -4.920 8.073 0.500 1.00 0.00 N ATOM 651 CA GLU A 42 -6.342 8.197 0.778 1.00 0.00 C ATOM 652 C GLU A 42 -7.264 7.668 -0.327 1.00 0.00 C ATOM 653 O GLU A 42 -8.441 7.428 -0.042 1.00 0.00 O ATOM 654 CB GLU A 42 -6.652 9.669 1.065 1.00 0.00 C ATOM 655 CG GLU A 42 -6.260 10.048 2.502 1.00 0.00 C ATOM 656 CD GLU A 42 -7.245 10.992 3.189 1.00 0.00 C ATOM 657 OE1 GLU A 42 -8.088 11.638 2.522 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.097 11.213 4.405 1.00 0.00 O ATOM 0 H GLU A 42 -4.455 8.966 0.334 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.549 7.564 1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.113 10.301 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.715 9.856 0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.172 9.138 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.275 10.515 2.487 1.00 0.00 H new ATOM 665 N LYS A 43 -6.800 7.506 -1.573 1.00 0.00 N ATOM 666 CA LYS A 43 -7.683 7.187 -2.699 1.00 0.00 C ATOM 667 C LYS A 43 -7.272 5.982 -3.526 1.00 0.00 C ATOM 668 O LYS A 43 -8.140 5.335 -4.105 1.00 0.00 O ATOM 669 CB LYS A 43 -7.824 8.426 -3.574 1.00 0.00 C ATOM 670 CG LYS A 43 -8.627 9.480 -2.805 1.00 0.00 C ATOM 671 CD LYS A 43 -9.291 10.427 -3.788 1.00 0.00 C ATOM 672 CE LYS A 43 -10.136 11.496 -3.089 1.00 0.00 C ATOM 673 NZ LYS A 43 -11.203 10.919 -2.238 1.00 0.00 N ATOM 0 H LYS A 43 -5.815 7.591 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.641 6.896 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.841 8.817 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.327 8.174 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.381 8.996 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.971 10.036 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.526 10.912 -4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.923 9.856 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.487 12.122 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.587 12.144 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.845 11.675 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.738 10.213 -2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.776 10.463 -1.407 1.00 0.00 H new ATOM 687 N VAL A 44 -5.989 5.648 -3.581 1.00 0.00 N ATOM 688 CA VAL A 44 -5.559 4.339 -4.051 1.00 0.00 C ATOM 689 C VAL A 44 -5.564 3.412 -2.845 1.00 0.00 C ATOM 690 O VAL A 44 -6.329 2.448 -2.798 1.00 0.00 O ATOM 691 CB VAL A 44 -4.183 4.409 -4.741 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.719 3.012 -5.165 1.00 0.00 C ATOM 693 CG2 VAL A 44 -4.248 5.328 -5.966 1.00 0.00 C ATOM 0 H VAL A 44 -5.227 6.268 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.237 3.956 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.465 4.815 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.746 3.084 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.640 2.372 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.441 2.585 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.269 5.368 -6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.981 4.940 -6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.540 6.331 -5.654 1.00 0.00 H new ATOM 703 N LEU A 45 -4.683 3.667 -1.876 1.00 0.00 N ATOM 704 CA LEU A 45 -4.421 2.693 -0.823 1.00 0.00 C ATOM 705 C LEU A 45 -5.629 2.554 0.104 1.00 0.00 C ATOM 706 O LEU A 45 -5.831 1.477 0.662 1.00 0.00 O ATOM 707 CB LEU A 45 -3.139 3.035 -0.046 1.00 0.00 C ATOM 708 CG LEU A 45 -1.891 3.207 -0.939 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.680 3.558 -0.081 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.578 1.924 -1.699 1.00 0.00 C ATOM 0 H LEU A 45 -4.146 4.531 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.256 1.724 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.301 3.955 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.946 2.247 0.682 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.102 4.007 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.196 3.677 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.870 4.489 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.499 2.758 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.695 2.075 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.390 1.118 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.425 1.660 -2.332 1.00 0.00 H new ATOM 722 N GLY A 46 -6.444 3.605 0.216 1.00 0.00 N ATOM 723 CA GLY A 46 -7.625 3.699 1.058 1.00 0.00 C ATOM 724 C GLY A 46 -7.288 4.009 2.517 1.00 0.00 C ATOM 725 O GLY A 46 -8.212 4.097 3.326 1.00 0.00 O ATOM 0 H GLY A 46 -6.282 4.462 -0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.283 4.476 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.177 2.760 1.009 1.00 0.00 H new ATOM 729 N LEU A 47 -6.001 4.156 2.856 1.00 0.00 N ATOM 730 CA LEU A 47 -5.514 4.348 4.218 1.00 0.00 C ATOM 731 C LEU A 47 -5.490 5.830 4.575 1.00 0.00 C ATOM 732 O LEU A 47 -5.358 6.695 3.703 1.00 0.00 O ATOM 733 CB LEU A 47 -4.078 3.808 4.357 1.00 0.00 C ATOM 734 CG LEU A 47 -3.900 2.290 4.189 1.00 0.00 C ATOM 735 CD1 LEU A 47 -2.414 1.946 4.369 1.00 0.00 C ATOM 736 CD2 LEU A 47 -4.727 1.494 5.202 1.00 0.00 C ATOM 0 H LEU A 47 -5.251 4.143 2.165 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.187 3.811 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.451 4.309 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.701 4.090 5.340 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.249 2.017 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.273 0.872 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.825 2.473 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.088 2.249 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.568 0.427 5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.419 1.760 6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.784 1.727 5.072 1.00 0.00 H new ATOM 748 N SER A 48 -5.511 6.106 5.874 1.00 0.00 N ATOM 749 CA SER A 48 -5.298 7.423 6.431 1.00 0.00 C ATOM 750 C SER A 48 -3.856 7.869 6.225 1.00 0.00 C ATOM 751 O SER A 48 -2.933 7.052 6.156 1.00 0.00 O ATOM 752 CB SER A 48 -5.593 7.357 7.925 1.00 0.00 C ATOM 753 OG SER A 48 -6.960 7.051 8.122 1.00 0.00 O ATOM 0 H SER A 48 -5.682 5.394 6.584 1.00 0.00 H new ATOM 0 HA SER A 48 -5.953 8.138 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.968 6.599 8.397 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.351 8.309 8.397 1.00 0.00 H new ATOM 0 HG SER A 48 -7.150 7.007 9.082 1.00 0.00 H new ATOM 759 N GLN A 49 -3.689 9.192 6.221 1.00 0.00 N ATOM 760 CA GLN A 49 -2.425 9.884 6.029 1.00 0.00 C ATOM 761 C GLN A 49 -1.330 9.304 6.917 1.00 0.00 C ATOM 762 O GLN A 49 -0.250 9.007 6.419 1.00 0.00 O ATOM 763 CB GLN A 49 -2.665 11.378 6.291 1.00 0.00 C ATOM 764 CG GLN A 49 -1.402 12.232 6.493 1.00 0.00 C ATOM 765 CD GLN A 49 -0.929 12.294 7.949 1.00 0.00 C ATOM 766 OE1 GLN A 49 -1.723 12.538 8.856 1.00 0.00 O ATOM 767 NE2 GLN A 49 0.352 12.112 8.218 1.00 0.00 N ATOM 0 H GLN A 49 -4.469 9.834 6.358 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.070 9.750 5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.229 11.789 5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.293 11.476 7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.599 11.829 5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.598 13.244 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.008 11.910 7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.685 12.174 9.180 1.00 0.00 H new ATOM 776 N GLY A 50 -1.585 9.187 8.220 1.00 0.00 N ATOM 777 CA GLY A 50 -0.570 8.817 9.189 1.00 0.00 C ATOM 778 C GLY A 50 0.018 7.450 8.882 1.00 0.00 C ATOM 779 O GLY A 50 1.232 7.312 8.732 1.00 0.00 O ATOM 0 H GLY A 50 -2.506 9.348 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.224 9.564 9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.004 8.812 10.189 1.00 0.00 H new ATOM 783 N SER A 51 -0.851 6.451 8.738 1.00 0.00 N ATOM 784 CA SER A 51 -0.470 5.084 8.446 1.00 0.00 C ATOM 785 C SER A 51 0.377 5.016 7.167 1.00 0.00 C ATOM 786 O SER A 51 1.423 4.366 7.149 1.00 0.00 O ATOM 787 CB SER A 51 -1.755 4.252 8.351 1.00 0.00 C ATOM 788 OG SER A 51 -2.632 4.523 9.438 1.00 0.00 O ATOM 0 H SER A 51 -1.859 6.580 8.824 1.00 0.00 H new ATOM 0 HA SER A 51 0.158 4.676 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.262 4.469 7.410 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.503 3.191 8.341 1.00 0.00 H new ATOM 0 HG SER A 51 -3.442 3.979 9.348 1.00 0.00 H new ATOM 794 N VAL A 52 -0.052 5.686 6.095 1.00 0.00 N ATOM 795 CA VAL A 52 0.656 5.715 4.818 1.00 0.00 C ATOM 796 C VAL A 52 1.983 6.473 4.927 1.00 0.00 C ATOM 797 O VAL A 52 2.944 6.120 4.237 1.00 0.00 O ATOM 798 CB VAL A 52 -0.309 6.319 3.760 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.267 7.446 2.882 1.00 0.00 C ATOM 800 CG2 VAL A 52 -0.848 5.181 2.896 1.00 0.00 C ATOM 0 H VAL A 52 -0.914 6.231 6.092 1.00 0.00 H new ATOM 0 HA VAL A 52 0.935 4.708 4.509 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.101 6.815 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.496 7.788 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.578 8.277 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.127 7.071 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.528 5.584 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.019 4.677 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.382 4.469 3.525 1.00 0.00 H new ATOM 810 N SER A 53 2.040 7.516 5.751 1.00 0.00 N ATOM 811 CA SER A 53 3.205 8.352 5.941 1.00 0.00 C ATOM 812 C SER A 53 4.279 7.543 6.656 1.00 0.00 C ATOM 813 O SER A 53 5.419 7.517 6.191 1.00 0.00 O ATOM 814 CB SER A 53 2.783 9.588 6.730 1.00 0.00 C ATOM 815 OG SER A 53 3.838 10.520 6.829 1.00 0.00 O ATOM 0 H SER A 53 1.245 7.806 6.321 1.00 0.00 H new ATOM 0 HA SER A 53 3.623 8.684 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.926 10.056 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.462 9.292 7.729 1.00 0.00 H new ATOM 0 HG SER A 53 3.537 11.302 7.338 1.00 0.00 H new ATOM 821 N ASP A 54 3.917 6.856 7.743 1.00 0.00 N ATOM 822 CA ASP A 54 4.783 5.901 8.427 1.00 0.00 C ATOM 823 C ASP A 54 5.338 4.918 7.403 1.00 0.00 C ATOM 824 O ASP A 54 6.539 4.671 7.365 1.00 0.00 O ATOM 825 CB ASP A 54 4.008 5.146 9.521 1.00 0.00 C ATOM 826 CG ASP A 54 4.191 5.785 10.891 1.00 0.00 C ATOM 827 OD1 ASP A 54 5.282 5.611 11.476 1.00 0.00 O ATOM 828 OD2 ASP A 54 3.252 6.451 11.390 1.00 0.00 O ATOM 0 H ASP A 54 2.999 6.952 8.177 1.00 0.00 H new ATOM 0 HA ASP A 54 5.601 6.438 8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.948 5.128 9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.345 4.110 9.556 1.00 0.00 H new ATOM 833 N MET A 55 4.474 4.413 6.521 1.00 0.00 N ATOM 834 CA MET A 55 4.847 3.447 5.498 1.00 0.00 C ATOM 835 C MET A 55 5.950 3.974 4.583 1.00 0.00 C ATOM 836 O MET A 55 7.013 3.368 4.510 1.00 0.00 O ATOM 837 CB MET A 55 3.596 2.980 4.729 1.00 0.00 C ATOM 838 CG MET A 55 3.447 1.480 4.933 1.00 0.00 C ATOM 839 SD MET A 55 1.839 0.675 4.700 1.00 0.00 S ATOM 840 CE MET A 55 0.859 1.469 5.997 1.00 0.00 C ATOM 0 H MET A 55 3.487 4.669 6.500 1.00 0.00 H new ATOM 0 HA MET A 55 5.275 2.573 5.988 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.710 3.503 5.090 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.693 3.212 3.668 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.152 0.992 4.260 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.773 1.260 5.950 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.023 0.864 6.208 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.460 1.562 6.902 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.549 2.459 5.664 1.00 0.00 H new ATOM 850 N LEU A 56 5.721 5.087 3.890 1.00 0.00 N ATOM 851 CA LEU A 56 6.732 5.682 3.012 1.00 0.00 C ATOM 852 C LEU A 56 8.011 6.145 3.697 1.00 0.00 C ATOM 853 O LEU A 56 9.024 6.276 3.008 1.00 0.00 O ATOM 854 CB LEU A 56 6.163 6.892 2.277 1.00 0.00 C ATOM 855 CG LEU A 56 5.078 6.561 1.245 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.946 7.736 0.286 1.00 0.00 C ATOM 857 CD2 LEU A 56 5.356 5.286 0.436 1.00 0.00 C ATOM 0 H LEU A 56 4.840 5.599 3.918 1.00 0.00 H new ATOM 0 HA LEU A 56 6.996 4.865 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.749 7.584 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.979 7.411 1.773 1.00 0.00 H new ATOM 0 HG LEU A 56 4.158 6.381 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.177 7.516 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.668 8.631 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.898 7.903 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.544 5.120 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.294 5.397 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.428 4.434 1.112 1.00 0.00 H new ATOM 869 N SER A 57 7.978 6.471 4.985 1.00 0.00 N ATOM 870 CA SER A 57 9.192 6.809 5.710 1.00 0.00 C ATOM 871 C SER A 57 9.967 5.525 6.025 1.00 0.00 C ATOM 872 O SER A 57 11.157 5.425 5.726 1.00 0.00 O ATOM 873 CB SER A 57 8.811 7.594 6.969 1.00 0.00 C ATOM 874 OG SER A 57 8.473 8.932 6.628 1.00 0.00 O ATOM 0 H SER A 57 7.126 6.508 5.544 1.00 0.00 H new ATOM 0 HA SER A 57 9.847 7.441 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.968 7.113 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.642 7.589 7.675 1.00 0.00 H new ATOM 0 HG SER A 57 8.229 9.425 7.439 1.00 0.00 H new ATOM 880 N ARG A 58 9.300 4.534 6.620 1.00 0.00 N ATOM 881 CA ARG A 58 9.910 3.387 7.281 1.00 0.00 C ATOM 882 C ARG A 58 9.065 2.139 6.995 1.00 0.00 C ATOM 883 O ARG A 58 8.368 1.640 7.885 1.00 0.00 O ATOM 884 CB ARG A 58 10.108 3.723 8.774 1.00 0.00 C ATOM 885 CG ARG A 58 8.878 4.312 9.502 1.00 0.00 C ATOM 886 CD ARG A 58 9.247 4.934 10.847 1.00 0.00 C ATOM 887 NE ARG A 58 9.881 3.953 11.738 1.00 0.00 N ATOM 888 CZ ARG A 58 11.008 4.128 12.437 1.00 0.00 C ATOM 889 NH1 ARG A 58 11.661 5.283 12.456 1.00 0.00 N ATOM 890 NH2 ARG A 58 11.490 3.111 13.129 1.00 0.00 N ATOM 0 H ARG A 58 8.281 4.511 6.654 1.00 0.00 H new ATOM 0 HA ARG A 58 10.904 3.161 6.894 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.413 2.815 9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.931 4.432 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.411 5.068 8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.139 3.526 9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.924 5.773 10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.351 5.333 11.322 1.00 0.00 H new ATOM 0 HE ARG A 58 9.416 3.050 11.833 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.306 6.078 11.925 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.518 5.376 13.002 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.004 2.214 13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.348 3.223 13.669 1.00 0.00 H new ATOM 904 N PRO A 59 9.084 1.634 5.749 1.00 0.00 N ATOM 905 CA PRO A 59 8.259 0.504 5.351 1.00 0.00 C ATOM 906 C PRO A 59 8.732 -0.751 6.074 1.00 0.00 C ATOM 907 O PRO A 59 9.924 -0.913 6.334 1.00 0.00 O ATOM 908 CB PRO A 59 8.413 0.342 3.838 1.00 0.00 C ATOM 909 CG PRO A 59 9.433 1.394 3.411 1.00 0.00 C ATOM 910 CD PRO A 59 9.995 2.008 4.683 1.00 0.00 C ATOM 0 HA PRO A 59 7.213 0.667 5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.756 -0.661 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.461 0.491 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.227 0.942 2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.964 2.156 2.789 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.001 1.638 4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.066 3.092 4.594 1.00 0.00 H new ATOM 918 N LYS A 60 7.808 -1.670 6.352 1.00 0.00 N ATOM 919 CA LYS A 60 8.083 -2.901 7.069 1.00 0.00 C ATOM 920 C LYS A 60 8.336 -4.005 6.038 1.00 0.00 C ATOM 921 O LYS A 60 7.796 -3.920 4.931 1.00 0.00 O ATOM 922 CB LYS A 60 6.908 -3.211 8.016 1.00 0.00 C ATOM 923 CG LYS A 60 6.783 -2.175 9.151 1.00 0.00 C ATOM 924 CD LYS A 60 5.907 -0.944 8.837 1.00 0.00 C ATOM 925 CE LYS A 60 6.012 0.141 9.916 1.00 0.00 C ATOM 926 NZ LYS A 60 5.574 -0.344 11.239 1.00 0.00 N ATOM 0 H LYS A 60 6.831 -1.572 6.077 1.00 0.00 H new ATOM 0 HA LYS A 60 8.972 -2.818 7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.980 -3.235 7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.043 -4.203 8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.376 -2.674 10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.783 -1.829 9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.205 -0.526 7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.867 -1.257 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.043 0.487 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.405 0.999 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.598 0.440 11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.604 -0.713 11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.211 -1.101 11.559 1.00 0.00 H new ATOM 940 N PRO A 61 9.149 -5.021 6.355 1.00 0.00 N ATOM 941 CA PRO A 61 9.573 -6.017 5.381 1.00 0.00 C ATOM 942 C PRO A 61 8.437 -6.986 5.063 1.00 0.00 C ATOM 943 O PRO A 61 7.556 -7.219 5.897 1.00 0.00 O ATOM 944 CB PRO A 61 10.748 -6.732 6.043 1.00 0.00 C ATOM 945 CG PRO A 61 10.431 -6.640 7.531 1.00 0.00 C ATOM 946 CD PRO A 61 9.776 -5.266 7.644 1.00 0.00 C ATOM 0 HA PRO A 61 9.856 -5.570 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.825 -7.768 5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.696 -6.250 5.805 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.761 -7.437 7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.330 -6.713 8.143 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.039 -5.248 8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.515 -4.498 7.872 1.00 0.00 H new ATOM 954 N TRP A 62 8.496 -7.611 3.886 1.00 0.00 N ATOM 955 CA TRP A 62 7.456 -8.498 3.378 1.00 0.00 C ATOM 956 C TRP A 62 7.125 -9.624 4.353 1.00 0.00 C ATOM 957 O TRP A 62 5.958 -9.956 4.561 1.00 0.00 O ATOM 958 CB TRP A 62 7.893 -9.081 2.035 1.00 0.00 C ATOM 959 CG TRP A 62 6.769 -9.641 1.239 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.541 -10.947 0.982 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.664 -8.910 0.641 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.483 -11.056 0.103 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.881 -9.835 -0.101 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.236 -7.564 0.662 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.753 -9.437 -0.817 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.064 -7.167 -0.008 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.321 -8.104 -0.739 1.00 0.00 C ATOM 0 H TRP A 62 9.286 -7.511 3.248 1.00 0.00 H new ATOM 0 HA TRP A 62 6.550 -7.906 3.252 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.388 -8.303 1.454 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.630 -9.865 2.210 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.098 -11.774 1.398 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.186 -11.927 -0.338 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.817 -6.829 1.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.216 -10.149 -1.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.737 -6.139 0.041 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.415 -7.800 -1.243 1.00 0.00 H new ATOM 978 N SER A 63 8.147 -10.181 4.997 1.00 0.00 N ATOM 979 CA SER A 63 8.023 -11.256 5.964 1.00 0.00 C ATOM 980 C SER A 63 7.153 -10.877 7.166 1.00 0.00 C ATOM 981 O SER A 63 6.467 -11.740 7.713 1.00 0.00 O ATOM 982 CB SER A 63 9.441 -11.626 6.406 1.00 0.00 C ATOM 983 OG SER A 63 10.266 -11.804 5.264 1.00 0.00 O ATOM 0 H SER A 63 9.112 -9.884 4.852 1.00 0.00 H new ATOM 0 HA SER A 63 7.519 -12.104 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.850 -10.842 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.421 -12.541 6.998 1.00 0.00 H new ATOM 0 HG SER A 63 11.174 -12.039 5.549 1.00 0.00 H new ATOM 989 N LYS A 64 7.172 -9.611 7.591 1.00 0.00 N ATOM 990 CA LYS A 64 6.389 -9.127 8.731 1.00 0.00 C ATOM 991 C LYS A 64 4.973 -8.761 8.321 1.00 0.00 C ATOM 992 O LYS A 64 4.085 -8.698 9.177 1.00 0.00 O ATOM 993 CB LYS A 64 7.075 -7.890 9.337 1.00 0.00 C ATOM 994 CG LYS A 64 8.378 -8.276 10.043 1.00 0.00 C ATOM 995 CD LYS A 64 8.113 -8.809 11.452 1.00 0.00 C ATOM 996 CE LYS A 64 9.266 -9.712 11.889 1.00 0.00 C ATOM 997 NZ LYS A 64 9.092 -10.160 13.281 1.00 0.00 N ATOM 0 H LYS A 64 7.737 -8.886 7.149 1.00 0.00 H new ATOM 0 HA LYS A 64 6.335 -9.930 9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.284 -7.164 8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.402 -7.407 10.046 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.900 -9.033 9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.035 -7.408 10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.004 -7.979 12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.176 -9.366 11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.323 -10.578 11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.209 -9.175 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.889 -10.771 13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.061 -9.333 13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.203 -10.693 13.366 1.00 0.00 H new ATOM 1011 N LEU A 65 4.754 -8.458 7.045 1.00 0.00 N ATOM 1012 CA LEU A 65 3.434 -8.142 6.549 1.00 0.00 C ATOM 1013 C LEU A 65 2.728 -9.473 6.338 1.00 0.00 C ATOM 1014 O LEU A 65 3.187 -10.302 5.555 1.00 0.00 O ATOM 1015 CB LEU A 65 3.541 -7.350 5.236 1.00 0.00 C ATOM 1016 CG LEU A 65 4.284 -6.007 5.348 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.512 -5.454 3.942 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.508 -4.996 6.199 1.00 0.00 C ATOM 0 H LEU A 65 5.487 -8.427 6.336 1.00 0.00 H new ATOM 0 HA LEU A 65 2.875 -7.520 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.048 -7.969 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.536 -7.162 4.859 1.00 0.00 H new ATOM 0 HG LEU A 65 5.239 -6.176 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.038 -4.502 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.110 -6.160 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.551 -5.305 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.066 -4.061 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.534 -4.811 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.371 -5.396 7.204 1.00 0.00 H new ATOM 1030 N THR A 66 1.586 -9.659 6.983 1.00 0.00 N ATOM 1031 CA THR A 66 0.674 -10.756 6.687 1.00 0.00 C ATOM 1032 C THR A 66 -0.130 -10.409 5.430 1.00 0.00 C ATOM 1033 O THR A 66 0.048 -9.323 4.882 1.00 0.00 O ATOM 1034 CB THR A 66 -0.228 -10.957 7.909 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.782 -9.724 8.322 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.569 -11.555 9.072 1.00 0.00 C ATOM 0 H THR A 66 1.263 -9.048 7.733 1.00 0.00 H new ATOM 0 HA THR A 66 1.208 -11.685 6.490 1.00 0.00 H new ATOM 0 HB THR A 66 -1.028 -11.641 7.626 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.357 -9.869 9.102 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.088 -11.691 9.931 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.980 -12.519 8.774 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.383 -10.881 9.340 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.065 -11.258 4.994 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.998 -10.934 3.912 1.00 0.00 C ATOM 1046 C GLN A 67 -2.613 -9.541 4.126 1.00 0.00 C ATOM 1047 O GLN A 67 -2.479 -8.670 3.265 1.00 0.00 O ATOM 1048 CB GLN A 67 -3.079 -12.027 3.801 1.00 0.00 C ATOM 1049 CG GLN A 67 -3.223 -12.592 2.383 1.00 0.00 C ATOM 1050 CD GLN A 67 -4.224 -13.746 2.368 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -5.319 -13.644 1.818 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -3.862 -14.882 2.943 1.00 0.00 N ATOM 0 H GLN A 67 -1.196 -12.192 5.383 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.454 -10.905 2.968 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.837 -12.839 4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.037 -11.616 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.554 -11.806 1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.254 -12.938 2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.951 -14.956 3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.494 -15.683 2.932 1.00 0.00 H new ATOM 1061 N LYS A 68 -3.214 -9.287 5.297 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.819 -7.980 5.574 1.00 0.00 C ATOM 1063 C LYS A 68 -2.786 -6.878 5.819 1.00 0.00 C ATOM 1064 O LYS A 68 -3.122 -5.696 5.763 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.850 -8.076 6.714 1.00 0.00 C ATOM 1066 CG LYS A 68 -6.160 -7.434 6.234 1.00 0.00 C ATOM 1067 CD LYS A 68 -7.286 -7.562 7.263 1.00 0.00 C ATOM 1068 CE LYS A 68 -8.637 -7.167 6.647 1.00 0.00 C ATOM 1069 NZ LYS A 68 -9.113 -8.131 5.626 1.00 0.00 N ATOM 0 H LYS A 68 -3.293 -9.961 6.058 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.350 -7.683 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.016 -9.118 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.481 -7.566 7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.987 -6.380 6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.470 -7.903 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.335 -8.587 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.073 -6.926 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.382 -7.088 7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.548 -6.180 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.121 -7.962 5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.566 -8.007 4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.986 -9.101 5.979 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.521 -7.224 6.058 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.423 -6.269 6.043 1.00 0.00 C ATOM 1085 C GLY A 69 -0.058 -5.862 4.615 1.00 0.00 C ATOM 1086 O GLY A 69 0.336 -4.719 4.391 1.00 0.00 O ATOM 0 H GLY A 69 -1.232 -8.180 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.700 -5.384 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.448 -6.705 6.533 1.00 0.00 H new ATOM 1090 N ARG A 70 -0.152 -6.790 3.658 1.00 0.00 N ATOM 1091 CA ARG A 70 0.309 -6.628 2.280 1.00 0.00 C ATOM 1092 C ARG A 70 -0.705 -5.904 1.410 1.00 0.00 C ATOM 1093 O ARG A 70 -0.293 -5.316 0.417 1.00 0.00 O ATOM 1094 CB ARG A 70 0.598 -8.009 1.670 1.00 0.00 C ATOM 1095 CG ARG A 70 1.810 -8.674 2.331 1.00 0.00 C ATOM 1096 CD ARG A 70 1.865 -10.166 2.034 1.00 0.00 C ATOM 1097 NE ARG A 70 2.938 -10.782 2.821 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.529 -11.952 2.592 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.095 -12.735 1.612 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.545 -12.304 3.366 1.00 0.00 N ATOM 0 H ARG A 70 -0.566 -7.706 3.830 1.00 0.00 H new ATOM 0 HA ARG A 70 1.214 -6.021 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.277 -8.649 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.778 -7.905 0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.724 -8.198 1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.767 -8.519 3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.909 -10.631 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.039 -10.330 0.971 1.00 0.00 H new ATOM 0 HE ARG A 70 3.267 -10.257 3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.308 -12.440 1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.548 -13.632 1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.855 -11.684 4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.017 -13.195 3.214 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.989 -5.903 1.775 1.00 0.00 N ATOM 1115 CA GLU A 71 -3.059 -5.254 1.026 1.00 0.00 C ATOM 1116 C GLU A 71 -2.682 -3.860 0.489 1.00 0.00 C ATOM 1117 O GLU A 71 -2.798 -3.645 -0.721 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.320 -5.172 1.894 1.00 0.00 C ATOM 1119 CG GLU A 71 -5.183 -6.433 1.890 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.619 -6.040 2.239 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -6.927 -5.763 3.422 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -7.435 -5.892 1.306 1.00 0.00 O ATOM 0 H GLU A 71 -2.318 -6.366 2.622 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.246 -5.871 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.024 -4.954 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.926 -4.333 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.149 -6.912 0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.802 -7.155 2.612 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.233 -2.897 1.317 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.859 -1.587 0.805 1.00 0.00 C ATOM 1131 C PRO A 72 -0.635 -1.711 -0.118 1.00 0.00 C ATOM 1132 O PRO A 72 -0.685 -1.257 -1.262 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.674 -0.712 2.051 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.293 -1.701 3.150 1.00 0.00 C ATOM 1135 CD PRO A 72 -2.080 -2.951 2.765 1.00 0.00 C ATOM 0 HA PRO A 72 -2.608 -1.121 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.895 0.036 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.589 -0.174 2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.220 -1.889 3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.572 -1.335 4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.551 -3.854 3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.051 -2.969 3.260 1.00 0.00 H new ATOM 1143 N PHE A 73 0.428 -2.387 0.332 1.00 0.00 N ATOM 1144 CA PHE A 73 1.666 -2.568 -0.420 1.00 0.00 C ATOM 1145 C PHE A 73 1.444 -3.134 -1.824 1.00 0.00 C ATOM 1146 O PHE A 73 2.176 -2.781 -2.744 1.00 0.00 O ATOM 1147 CB PHE A 73 2.608 -3.488 0.364 1.00 0.00 C ATOM 1148 CG PHE A 73 3.343 -2.779 1.486 1.00 0.00 C ATOM 1149 CD1 PHE A 73 4.526 -2.093 1.177 1.00 0.00 C ATOM 1150 CD2 PHE A 73 2.862 -2.765 2.810 1.00 0.00 C ATOM 1151 CE1 PHE A 73 5.241 -1.420 2.179 1.00 0.00 C ATOM 1152 CE2 PHE A 73 3.582 -2.086 3.815 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.775 -1.410 3.495 1.00 0.00 C ATOM 0 H PHE A 73 0.448 -2.832 1.250 1.00 0.00 H new ATOM 0 HA PHE A 73 2.108 -1.580 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.033 -4.315 0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.336 -3.920 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.890 -2.083 0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.942 -3.274 3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.158 -0.906 1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.218 -2.085 4.832 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.326 -0.887 4.263 1.00 0.00 H new ATOM 1163 N ILE A 74 0.466 -4.015 -2.001 1.00 0.00 N ATOM 1164 CA ILE A 74 0.075 -4.579 -3.287 1.00 0.00 C ATOM 1165 C ILE A 74 -0.374 -3.469 -4.235 1.00 0.00 C ATOM 1166 O ILE A 74 0.077 -3.406 -5.379 1.00 0.00 O ATOM 1167 CB ILE A 74 -1.006 -5.645 -3.018 1.00 0.00 C ATOM 1168 CG1 ILE A 74 -0.303 -6.915 -2.508 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.860 -5.962 -4.247 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -1.238 -7.864 -1.773 1.00 0.00 C ATOM 0 H ILE A 74 -0.096 -4.368 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 74 0.912 -5.065 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.697 -5.252 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.145 -7.438 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.511 -6.629 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.601 -6.719 -3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.367 -5.057 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.221 -6.336 -5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.680 -8.739 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.667 -7.356 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.038 -8.178 -2.443 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.252 -2.581 -3.774 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.708 -1.455 -4.554 1.00 0.00 C ATOM 1184 C ARG A 75 -0.544 -0.513 -4.857 1.00 0.00 C ATOM 1185 O ARG A 75 -0.518 0.037 -5.956 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.823 -0.766 -3.770 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.076 -1.628 -3.570 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.039 -0.906 -2.622 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.222 -1.737 -2.369 1.00 0.00 N ATOM 1190 CZ ARG A 75 -6.933 -1.837 -1.239 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -6.768 -1.013 -0.203 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -7.852 -2.779 -1.128 1.00 0.00 N ATOM 0 H ARG A 75 -1.664 -2.631 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.100 -1.779 -5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.438 -0.473 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.105 0.150 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.561 -1.813 -4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.802 -2.599 -3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.535 -0.682 -1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.341 0.047 -3.056 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.542 -2.309 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.075 -0.266 -0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.335 -1.130 0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.016 -3.425 -1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.397 -2.861 -0.270 1.00 0.00 H new ATOM 1206 N MET A 76 0.434 -0.343 -3.947 1.00 0.00 N ATOM 1207 CA MET A 76 1.666 0.362 -4.275 1.00 0.00 C ATOM 1208 C MET A 76 2.378 -0.262 -5.484 1.00 0.00 C ATOM 1209 O MET A 76 2.789 0.479 -6.376 1.00 0.00 O ATOM 1210 CB MET A 76 2.593 0.438 -3.043 1.00 0.00 C ATOM 1211 CG MET A 76 2.806 1.881 -2.595 1.00 0.00 C ATOM 1212 SD MET A 76 4.242 2.188 -1.525 1.00 0.00 S ATOM 1213 CE MET A 76 3.546 1.666 0.046 1.00 0.00 C ATOM 0 H MET A 76 0.386 -0.686 -2.987 1.00 0.00 H new ATOM 0 HA MET A 76 1.401 1.380 -4.561 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.161 -0.139 -2.225 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.555 -0.017 -3.281 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.902 2.505 -3.484 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.910 2.212 -2.069 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.292 1.784 0.832 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.674 2.277 0.279 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.249 0.619 -0.017 1.00 0.00 H new ATOM 1223 N GLN A 77 2.535 -1.592 -5.520 1.00 0.00 N ATOM 1224 CA GLN A 77 3.258 -2.285 -6.592 1.00 0.00 C ATOM 1225 C GLN A 77 2.577 -2.076 -7.930 1.00 0.00 C ATOM 1226 O GLN A 77 3.245 -1.774 -8.915 1.00 0.00 O ATOM 1227 CB GLN A 77 3.332 -3.799 -6.369 1.00 0.00 C ATOM 1228 CG GLN A 77 4.113 -4.213 -5.124 1.00 0.00 C ATOM 1229 CD GLN A 77 3.661 -5.550 -4.545 1.00 0.00 C ATOM 1230 OE1 GLN A 77 3.502 -6.554 -5.230 1.00 0.00 O ATOM 1231 NE2 GLN A 77 3.412 -5.594 -3.246 1.00 0.00 N ATOM 0 H GLN A 77 2.163 -2.218 -4.805 1.00 0.00 H new ATOM 0 HA GLN A 77 4.262 -1.861 -6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.319 -4.194 -6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.792 -4.261 -7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.173 -4.272 -5.371 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.006 -3.440 -4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.543 -4.760 -2.673 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.089 -6.462 -2.818 1.00 0.00 H new ATOM 1240 N LEU A 78 1.263 -2.283 -7.978 1.00 0.00 N ATOM 1241 CA LEU A 78 0.503 -2.149 -9.207 1.00 0.00 C ATOM 1242 C LEU A 78 0.601 -0.725 -9.691 1.00 0.00 C ATOM 1243 O LEU A 78 1.140 -0.521 -10.773 1.00 0.00 O ATOM 1244 CB LEU A 78 -0.953 -2.580 -8.977 1.00 0.00 C ATOM 1245 CG LEU A 78 -1.118 -4.105 -9.097 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.290 -4.570 -8.232 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -1.357 -4.511 -10.554 1.00 0.00 C ATOM 0 H LEU A 78 0.702 -2.547 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 78 0.913 -2.802 -9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.277 -2.255 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.598 -2.085 -9.703 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.200 -4.580 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.402 -5.651 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.100 -4.310 -7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.205 -4.082 -8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.471 -5.593 -10.616 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.263 -4.029 -10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.508 -4.200 -11.162 1.00 0.00 H new ATOM 1259 N TRP A 79 0.133 0.245 -8.901 1.00 0.00 N ATOM 1260 CA TRP A 79 0.044 1.647 -9.287 1.00 0.00 C ATOM 1261 C TRP A 79 1.314 2.180 -9.965 1.00 0.00 C ATOM 1262 O TRP A 79 1.227 3.082 -10.800 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.251 2.464 -8.027 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.132 3.950 -8.181 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.103 4.812 -8.560 1.00 0.00 C ATOM 1266 CD2 TRP A 79 1.084 4.744 -8.056 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.584 6.090 -8.627 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.763 6.100 -8.349 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.443 4.443 -7.800 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.737 7.106 -8.369 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.432 5.438 -7.888 1.00 0.00 C ATOM 1272 CH2 TRP A 79 3.083 6.767 -8.168 1.00 0.00 C ATOM 0 H TRP A 79 -0.201 0.068 -7.954 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.751 1.740 -10.026 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.261 2.230 -7.692 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.429 2.142 -7.238 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.126 4.542 -8.777 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.130 6.921 -8.854 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.724 3.435 -7.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.454 8.134 -8.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.469 5.177 -7.739 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.848 7.527 -8.229 1.00 0.00 H new ATOM 1283 N LEU A 80 2.488 1.651 -9.614 1.00 0.00 N ATOM 1284 CA LEU A 80 3.742 1.996 -10.275 1.00 0.00 C ATOM 1285 C LEU A 80 3.641 1.841 -11.797 1.00 0.00 C ATOM 1286 O LEU A 80 4.029 2.771 -12.512 1.00 0.00 O ATOM 1287 CB LEU A 80 4.912 1.170 -9.710 1.00 0.00 C ATOM 1288 CG LEU A 80 5.711 1.934 -8.643 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.582 0.953 -7.869 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.621 3.017 -9.237 1.00 0.00 C ATOM 0 H LEU A 80 2.593 0.970 -8.862 1.00 0.00 H new ATOM 0 HA LEU A 80 3.941 3.047 -10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.525 0.247 -9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.579 0.886 -10.524 1.00 0.00 H new ATOM 0 HG LEU A 80 4.984 2.425 -7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.151 1.491 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.950 0.207 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.270 0.458 -8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.159 3.521 -8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.336 2.557 -9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.016 3.743 -9.780 1.00 0.00 H new ATOM 1302 N SER A 81 3.151 0.702 -12.302 1.00 0.00 N ATOM 1303 CA SER A 81 2.902 0.543 -13.734 1.00 0.00 C ATOM 1304 C SER A 81 1.430 0.840 -14.047 1.00 0.00 C ATOM 1305 O SER A 81 1.134 1.751 -14.825 1.00 0.00 O ATOM 1306 CB SER A 81 3.361 -0.846 -14.187 1.00 0.00 C ATOM 1307 OG SER A 81 3.981 -0.775 -15.452 1.00 0.00 O ATOM 0 H SER A 81 2.921 -0.118 -11.740 1.00 0.00 H new ATOM 0 HA SER A 81 3.486 1.264 -14.306 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.057 -1.261 -13.458 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.506 -1.521 -14.232 1.00 0.00 H new ATOM 0 HG SER A 81 4.270 -1.671 -15.726 1.00 0.00 H new ATOM 1313 N ASP A 82 0.517 0.110 -13.405 1.00 0.00 N ATOM 1314 CA ASP A 82 -0.944 0.098 -13.560 1.00 0.00 C ATOM 1315 C ASP A 82 -1.559 1.493 -13.484 1.00 0.00 C ATOM 1316 O ASP A 82 -2.475 1.806 -14.242 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.513 -0.758 -12.423 1.00 0.00 C ATOM 1318 CG ASP A 82 -3.027 -0.753 -12.292 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.514 0.102 -11.521 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.698 -1.712 -12.739 1.00 0.00 O ATOM 0 H ASP A 82 0.809 -0.556 -12.690 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.186 -0.301 -14.545 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.182 -1.787 -12.566 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.084 -0.413 -11.482 1.00 0.00 H new ATOM 1325 N GLN A 83 -1.021 2.362 -12.625 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.390 3.752 -12.463 1.00 0.00 C ATOM 1327 C GLN A 83 -2.844 4.017 -12.065 1.00 0.00 C ATOM 1328 O GLN A 83 -3.205 5.189 -11.930 1.00 0.00 O ATOM 1329 CB GLN A 83 -0.973 4.517 -13.720 1.00 0.00 C ATOM 1330 CG GLN A 83 -0.370 5.857 -13.344 1.00 0.00 C ATOM 1331 CD GLN A 83 -0.297 6.740 -14.571 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -1.222 7.487 -14.869 1.00 0.00 O ATOM 1333 NE2 GLN A 83 0.787 6.648 -15.324 1.00 0.00 N ATOM 0 H GLN A 83 -0.271 2.088 -11.990 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.846 4.122 -11.594 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.250 3.931 -14.287 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.838 4.668 -14.366 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.974 6.336 -12.574 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.626 5.715 -12.925 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.543 6.019 -15.054 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.866 7.206 -16.174 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.655 2.986 -11.806 1.00 0.00 N ATOM 1343 CA LEU A 84 -5.089 3.057 -11.555 1.00 0.00 C ATOM 1344 C LEU A 84 -5.765 4.038 -12.506 1.00 0.00 C ATOM 1345 O LEU A 84 -6.126 5.162 -12.133 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.407 3.348 -10.086 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.066 2.139 -9.194 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.723 2.290 -8.487 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -6.141 1.914 -8.147 1.00 0.00 C ATOM 0 H LEU A 84 -3.304 2.029 -11.765 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.507 2.071 -11.760 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.842 4.219 -9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.464 3.594 -9.981 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.009 1.281 -9.864 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.534 1.410 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.931 2.392 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.743 3.177 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.875 1.055 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.226 2.799 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.095 1.726 -8.640 1.00 0.00 H new