USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 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 13 ASN : amide:sc= -0.233! C(o=1.8!,f=-7.9!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -175:sc= 2.05 (180deg=0.825) USER MOD Single : A 5 MET CE :methyl 160:sc= -0.156 (180deg=-0.751) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 10 TYR OH : rot 127:sc= 0.00527 USER MOD Single : A 15 SER OG : rot 170:sc= -1.67! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0379 X(o=-0.038,f=-0.097) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.05) USER MOD Single : A 33 CYS SG : rot 18:sc= 0.156 USER MOD Single : A 34 LYS NZ :NH3+ 173:sc=-0.00496 (180deg=-0.0828) USER MOD Single : A 35 ASN : amide:sc= -0.697 K(o=-0.7,f=-2.1!) USER MOD Single : A 36 CYS SG : rot -150:sc= -1.69! USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.0474 (180deg=-0.275) USER MOD Single : A 38 MET CE :methyl 162:sc= -0.112 (180deg=-0.607) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 124:sc= 0.851 USER MOD Single : A 54 HIS : no HE2:sc= -0.121 K(o=-0.12,f=-0.77) USER MOD Single : A 56 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.039) USER MOD Single : A 58 HIS : no HE2:sc= 0.285 K(o=0.28,f=-3.2!) USER MOD Single : A 66 MET CE :methyl -120:sc= 0 (180deg=-0.646) USER MOD Single : A 67 ASN : amide:sc= 0.972 K(o=0.97,f=-6.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -166:sc= -0.21 (180deg=-0.643) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.868 K(o=-0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -5.420 -12.206 -1.032 1.00 0.00 N ATOM 63 CA MET A 5 -4.544 -11.076 -0.762 1.00 0.00 C ATOM 64 C MET A 5 -5.137 -9.809 -1.367 1.00 0.00 C ATOM 65 O MET A 5 -4.614 -9.283 -2.347 1.00 0.00 O ATOM 66 CB MET A 5 -3.145 -11.322 -1.346 1.00 0.00 C ATOM 67 CG MET A 5 -2.482 -12.599 -0.850 1.00 0.00 C ATOM 68 SD MET A 5 -0.828 -12.836 -1.536 1.00 0.00 S ATOM 69 CE MET A 5 0.019 -11.404 -0.868 1.00 0.00 C ATOM 0 HA MET A 5 -4.454 -10.958 0.318 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.218 -11.362 -2.433 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.506 -10.474 -1.100 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.420 -12.572 0.238 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.106 -13.453 -1.113 1.00 0.00 H new ATOM 0 HE1 MET A 5 1.095 -11.575 -0.890 1.00 0.00 H new ATOM 0 HE2 MET A 5 -0.222 -10.526 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.301 -11.239 0.161 1.00 0.00 H new ATOM 79 N PRO A 6 -6.238 -9.298 -0.783 1.00 0.00 N ATOM 80 CA PRO A 6 -6.942 -8.129 -1.317 1.00 0.00 C ATOM 81 C PRO A 6 -6.035 -6.909 -1.474 1.00 0.00 C ATOM 82 O PRO A 6 -5.944 -6.337 -2.560 1.00 0.00 O ATOM 83 CB PRO A 6 -8.046 -7.846 -0.289 1.00 0.00 C ATOM 84 CG PRO A 6 -7.708 -8.662 0.912 1.00 0.00 C ATOM 85 CD PRO A 6 -6.894 -9.826 0.424 1.00 0.00 C ATOM 0 HA PRO A 6 -7.323 -8.328 -2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.086 -6.785 -0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.025 -8.118 -0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.146 -8.072 1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.612 -9.005 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.166 -10.148 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.521 -10.688 0.197 1.00 0.00 H new ATOM 93 N LYS A 7 -5.380 -6.509 -0.370 1.00 0.00 N ATOM 94 CA LYS A 7 -4.439 -5.374 -0.358 1.00 0.00 C ATOM 95 C LYS A 7 -5.172 -4.035 -0.502 1.00 0.00 C ATOM 96 O LYS A 7 -4.603 -2.974 -0.238 1.00 0.00 O ATOM 97 CB LYS A 7 -3.370 -5.519 -1.453 1.00 0.00 C ATOM 98 CG LYS A 7 -2.460 -6.725 -1.271 1.00 0.00 C ATOM 99 CD LYS A 7 -1.429 -6.821 -2.387 1.00 0.00 C ATOM 100 CE LYS A 7 -0.498 -5.617 -2.401 1.00 0.00 C ATOM 101 NZ LYS A 7 0.514 -5.712 -3.485 1.00 0.00 N ATOM 0 H LYS A 7 -5.487 -6.962 0.538 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.939 -5.385 0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.864 -5.592 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.760 -4.616 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.951 -6.656 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.060 -7.635 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.843 -7.732 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.939 -6.898 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.084 -4.707 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.007 -5.538 -1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.128 -4.873 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.090 -6.567 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.033 -5.762 -4.406 1.00 0.00 H new ATOM 115 N THR A 8 -6.429 -4.098 -0.914 1.00 0.00 N ATOM 116 CA THR A 8 -7.259 -2.919 -1.064 1.00 0.00 C ATOM 117 C THR A 8 -8.331 -2.895 0.018 1.00 0.00 C ATOM 118 O THR A 8 -8.971 -3.913 0.291 1.00 0.00 O ATOM 119 CB THR A 8 -7.940 -2.904 -2.445 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.969 -3.170 -3.467 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.610 -1.563 -2.715 1.00 0.00 C ATOM 0 H THR A 8 -6.900 -4.970 -1.153 1.00 0.00 H new ATOM 0 HA THR A 8 -6.620 -2.041 -0.971 1.00 0.00 H new ATOM 0 HB THR A 8 -8.707 -3.678 -2.453 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.406 -3.161 -4.344 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.082 -1.583 -3.697 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.366 -1.374 -1.953 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.862 -0.771 -2.688 1.00 0.00 H new ATOM 129 N LEU A 9 -8.510 -1.745 0.642 1.00 0.00 N ATOM 130 CA LEU A 9 -9.525 -1.590 1.669 1.00 0.00 C ATOM 131 C LEU A 9 -10.726 -0.839 1.116 1.00 0.00 C ATOM 132 O LEU A 9 -10.581 0.172 0.421 1.00 0.00 O ATOM 133 CB LEU A 9 -8.971 -0.867 2.907 1.00 0.00 C ATOM 134 CG LEU A 9 -7.991 -1.672 3.778 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.596 -3.009 4.178 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.660 -1.876 3.065 1.00 0.00 C ATOM 0 H LEU A 9 -7.965 -0.903 0.455 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.838 -2.587 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.469 0.043 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.811 -0.560 3.530 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.802 -1.097 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.885 -3.561 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.511 -2.839 4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.826 -3.587 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.988 -2.448 3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.825 -2.420 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.213 -0.907 2.844 1.00 0.00 H new ATOM 148 N TYR A 10 -11.905 -1.354 1.418 1.00 0.00 N ATOM 149 CA TYR A 10 -13.154 -0.752 0.992 1.00 0.00 C ATOM 150 C TYR A 10 -13.699 0.134 2.099 1.00 0.00 C ATOM 151 O TYR A 10 -14.131 -0.357 3.145 1.00 0.00 O ATOM 152 CB TYR A 10 -14.173 -1.844 0.640 1.00 0.00 C ATOM 153 CG TYR A 10 -15.521 -1.318 0.188 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.551 -1.106 1.099 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.765 -1.037 -1.149 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.783 -0.634 0.688 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.993 -0.563 -1.568 1.00 0.00 C ATOM 158 CZ TYR A 10 -18.001 -0.362 -0.647 1.00 0.00 C ATOM 159 OH TYR A 10 -19.232 0.103 -1.065 1.00 0.00 O ATOM 0 H TYR A 10 -12.022 -2.205 1.968 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.973 -0.144 0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.758 -2.471 -0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.319 -2.483 1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.385 -1.314 2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.981 -1.192 -1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.572 -0.479 1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.164 -0.350 -2.613 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.113 0.930 -1.576 1.00 0.00 H new ATOM 169 N VAL A 11 -13.655 1.431 1.878 1.00 0.00 N ATOM 170 CA VAL A 11 -14.208 2.375 2.825 1.00 0.00 C ATOM 171 C VAL A 11 -15.499 2.955 2.277 1.00 0.00 C ATOM 172 O VAL A 11 -15.529 3.474 1.166 1.00 0.00 O ATOM 173 CB VAL A 11 -13.212 3.506 3.155 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.838 4.534 4.089 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.950 2.927 3.777 1.00 0.00 C ATOM 0 H VAL A 11 -13.241 1.856 1.048 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.413 1.840 3.752 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.951 4.011 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.113 5.319 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.716 4.971 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.134 4.048 5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.254 3.734 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.206 2.398 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.484 2.234 3.077 1.00 0.00 H new ATOM 185 N GLY A 12 -16.567 2.841 3.046 1.00 0.00 N ATOM 186 CA GLY A 12 -17.849 3.353 2.609 1.00 0.00 C ATOM 187 C GLY A 12 -18.439 4.330 3.600 1.00 0.00 C ATOM 188 O GLY A 12 -17.843 4.584 4.653 1.00 0.00 O ATOM 0 H GLY A 12 -16.571 2.403 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.733 3.843 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.540 2.523 2.464 1.00 0.00 H new ATOM 192 N ASN A 13 -19.610 4.870 3.259 1.00 0.00 N ATOM 193 CA ASN A 13 -20.298 5.866 4.082 1.00 0.00 C ATOM 194 C ASN A 13 -19.505 7.162 4.147 1.00 0.00 C ATOM 195 O ASN A 13 -19.506 7.860 5.164 1.00 0.00 O ATOM 196 CB ASN A 13 -20.574 5.340 5.495 1.00 0.00 C ATOM 197 CG ASN A 13 -21.531 4.163 5.511 1.00 0.00 C ATOM 198 OD1 ASN A 13 -21.479 3.327 6.408 1.00 0.00 O ATOM 199 ND2 ASN A 13 -22.400 4.074 4.518 1.00 0.00 N ATOM 0 H ASN A 13 -20.109 4.629 2.403 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.258 6.069 3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.633 5.042 5.957 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.986 6.145 6.103 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.054 3.292 4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.416 4.787 3.789 1.00 0.00 H new ATOM 206 N LEU A 14 -18.840 7.492 3.047 1.00 0.00 N ATOM 207 CA LEU A 14 -18.069 8.720 2.972 1.00 0.00 C ATOM 208 C LEU A 14 -18.991 9.926 2.992 1.00 0.00 C ATOM 209 O LEU A 14 -20.122 9.873 2.506 1.00 0.00 O ATOM 210 CB LEU A 14 -17.189 8.757 1.718 1.00 0.00 C ATOM 211 CG LEU A 14 -15.868 7.982 1.805 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.026 8.493 2.964 1.00 0.00 C ATOM 213 CD2 LEU A 14 -16.119 6.491 1.938 1.00 0.00 C ATOM 0 H LEU A 14 -18.821 6.926 2.198 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.416 8.752 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.765 8.362 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.963 9.798 1.487 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.316 8.147 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.093 7.932 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.807 9.550 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.574 8.363 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.166 5.965 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.697 6.299 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.675 6.137 1.070 1.00 0.00 H new ATOM 225 N SER A 15 -18.504 11.003 3.560 1.00 0.00 N ATOM 226 CA SER A 15 -19.287 12.212 3.703 1.00 0.00 C ATOM 227 C SER A 15 -18.676 13.317 2.855 1.00 0.00 C ATOM 228 O SER A 15 -17.482 13.296 2.564 1.00 0.00 O ATOM 229 CB SER A 15 -19.322 12.611 5.175 1.00 0.00 C ATOM 230 OG SER A 15 -19.614 11.486 5.988 1.00 0.00 O ATOM 0 H SER A 15 -17.558 11.069 3.936 1.00 0.00 H new ATOM 0 HA SER A 15 -20.308 12.042 3.360 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.362 13.037 5.465 1.00 0.00 H new ATOM 0 HB3 SER A 15 -20.074 13.384 5.330 1.00 0.00 H new ATOM 0 HG SER A 15 -19.475 11.718 6.930 1.00 0.00 H new ATOM 236 N ARG A 16 -19.500 14.279 2.467 1.00 0.00 N ATOM 237 CA ARG A 16 -19.069 15.347 1.573 1.00 0.00 C ATOM 238 C ARG A 16 -18.217 16.355 2.334 1.00 0.00 C ATOM 239 O ARG A 16 -17.515 17.178 1.744 1.00 0.00 O ATOM 240 CB ARG A 16 -20.278 16.052 0.941 1.00 0.00 C ATOM 241 CG ARG A 16 -21.098 15.187 -0.016 1.00 0.00 C ATOM 242 CD ARG A 16 -21.903 14.117 0.712 1.00 0.00 C ATOM 243 NE ARG A 16 -22.773 13.372 -0.195 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.223 12.136 0.036 1.00 0.00 C ATOM 245 NH1 ARG A 16 -22.896 11.493 1.151 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.006 11.547 -0.853 1.00 0.00 N ATOM 0 H ARG A 16 -20.475 14.343 2.758 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.473 14.905 0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.931 16.406 1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.927 16.932 0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.776 15.823 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.430 14.710 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.221 13.426 1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.506 14.585 1.490 1.00 0.00 H new ATOM 0 HE ARG A 16 -23.056 13.827 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -22.295 11.943 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -23.246 10.549 1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.263 12.037 -1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.352 10.603 -0.681 1.00 0.00 H new ATOM 260 N ASP A 17 -18.303 16.282 3.651 1.00 0.00 N ATOM 261 CA ASP A 17 -17.506 17.116 4.538 1.00 0.00 C ATOM 262 C ASP A 17 -16.224 16.393 4.942 1.00 0.00 C ATOM 263 O ASP A 17 -15.437 16.890 5.753 1.00 0.00 O ATOM 264 CB ASP A 17 -18.328 17.507 5.768 1.00 0.00 C ATOM 265 CG ASP A 17 -19.116 16.343 6.340 1.00 0.00 C ATOM 266 OD1 ASP A 17 -18.792 15.883 7.451 1.00 0.00 O ATOM 267 OD2 ASP A 17 -20.077 15.888 5.674 1.00 0.00 O ATOM 0 H ASP A 17 -18.929 15.641 4.138 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.224 18.027 4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.661 17.901 6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.016 18.309 5.500 1.00 0.00 H new ATOM 272 N VAL A 18 -16.017 15.218 4.360 1.00 0.00 N ATOM 273 CA VAL A 18 -14.782 14.473 4.547 1.00 0.00 C ATOM 274 C VAL A 18 -13.776 14.883 3.484 1.00 0.00 C ATOM 275 O VAL A 18 -14.097 14.915 2.294 1.00 0.00 O ATOM 276 CB VAL A 18 -15.015 12.944 4.484 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.696 12.182 4.487 1.00 0.00 C ATOM 278 CG2 VAL A 18 -15.884 12.488 5.646 1.00 0.00 C ATOM 0 H VAL A 18 -16.695 14.760 3.751 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.396 14.708 5.539 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.531 12.726 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.894 11.111 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.103 12.478 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.146 12.411 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.037 11.411 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.391 12.732 6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.848 12.994 5.600 1.00 0.00 H new ATOM 288 N THR A 19 -12.574 15.223 3.912 1.00 0.00 N ATOM 289 CA THR A 19 -11.534 15.643 2.992 1.00 0.00 C ATOM 290 C THR A 19 -10.614 14.474 2.644 1.00 0.00 C ATOM 291 O THR A 19 -10.399 13.574 3.464 1.00 0.00 O ATOM 292 CB THR A 19 -10.708 16.812 3.582 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.678 17.206 2.666 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.085 16.438 4.922 1.00 0.00 C ATOM 0 H THR A 19 -12.294 15.216 4.893 1.00 0.00 H new ATOM 0 HA THR A 19 -12.019 15.990 2.080 1.00 0.00 H new ATOM 0 HB THR A 19 -11.391 17.646 3.744 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.164 17.947 3.050 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.513 17.283 5.306 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.873 16.181 5.630 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.423 15.582 4.789 1.00 0.00 H new ATOM 302 N GLU A 20 -10.089 14.489 1.420 1.00 0.00 N ATOM 303 CA GLU A 20 -9.148 13.472 0.962 1.00 0.00 C ATOM 304 C GLU A 20 -7.925 13.441 1.870 1.00 0.00 C ATOM 305 O GLU A 20 -7.389 12.376 2.174 1.00 0.00 O ATOM 306 CB GLU A 20 -8.725 13.771 -0.479 1.00 0.00 C ATOM 307 CG GLU A 20 -7.778 12.745 -1.080 1.00 0.00 C ATOM 308 CD GLU A 20 -7.208 13.188 -2.413 1.00 0.00 C ATOM 309 OE1 GLU A 20 -6.085 13.735 -2.431 1.00 0.00 O ATOM 310 OE2 GLU A 20 -7.884 13.014 -3.447 1.00 0.00 O ATOM 0 H GLU A 20 -10.303 15.202 0.723 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.634 12.497 0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.618 13.833 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.247 14.750 -0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.961 12.559 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.307 11.801 -1.211 1.00 0.00 H new ATOM 317 N ALA A 21 -7.517 14.626 2.323 1.00 0.00 N ATOM 318 CA ALA A 21 -6.359 14.771 3.196 1.00 0.00 C ATOM 319 C ALA A 21 -6.533 13.977 4.485 1.00 0.00 C ATOM 320 O ALA A 21 -5.568 13.460 5.041 1.00 0.00 O ATOM 321 CB ALA A 21 -6.132 16.240 3.514 1.00 0.00 C ATOM 0 H ALA A 21 -7.979 15.506 2.095 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.489 14.375 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.265 16.341 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.956 16.789 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.012 16.644 4.014 1.00 0.00 H new ATOM 327 N LEU A 22 -7.775 13.874 4.940 1.00 0.00 N ATOM 328 CA LEU A 22 -8.086 13.163 6.169 1.00 0.00 C ATOM 329 C LEU A 22 -7.926 11.665 5.958 1.00 0.00 C ATOM 330 O LEU A 22 -7.166 11.008 6.665 1.00 0.00 O ATOM 331 CB LEU A 22 -9.514 13.486 6.617 1.00 0.00 C ATOM 332 CG LEU A 22 -9.978 12.795 7.899 1.00 0.00 C ATOM 333 CD1 LEU A 22 -9.144 13.253 9.086 1.00 0.00 C ATOM 334 CD2 LEU A 22 -11.454 13.072 8.143 1.00 0.00 C ATOM 0 H LEU A 22 -8.586 14.277 4.472 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.395 13.484 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.596 14.564 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.198 13.216 5.812 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.842 11.720 7.782 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.490 12.750 9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.097 13.007 8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.247 14.331 9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.771 12.574 9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.611 14.146 8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.039 12.695 7.304 1.00 0.00 H new ATOM 346 N ILE A 23 -8.632 11.147 4.958 1.00 0.00 N ATOM 347 CA ILE A 23 -8.603 9.723 4.644 1.00 0.00 C ATOM 348 C ILE A 23 -7.177 9.257 4.357 1.00 0.00 C ATOM 349 O ILE A 23 -6.722 8.247 4.899 1.00 0.00 O ATOM 350 CB ILE A 23 -9.509 9.405 3.434 1.00 0.00 C ATOM 351 CG1 ILE A 23 -10.957 9.802 3.736 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.431 7.931 3.066 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.548 9.098 4.942 1.00 0.00 C ATOM 0 H ILE A 23 -9.236 11.697 4.347 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.980 9.187 5.515 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.154 9.986 2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.002 10.879 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.573 9.585 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.078 7.735 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.403 7.674 2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.756 7.327 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.575 9.432 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.537 8.021 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.958 9.335 5.827 1.00 0.00 H new ATOM 365 N LEU A 24 -6.471 10.014 3.521 1.00 0.00 N ATOM 366 CA LEU A 24 -5.082 9.711 3.194 1.00 0.00 C ATOM 367 C LEU A 24 -4.222 9.649 4.451 1.00 0.00 C ATOM 368 O LEU A 24 -3.442 8.717 4.627 1.00 0.00 O ATOM 369 CB LEU A 24 -4.517 10.761 2.228 1.00 0.00 C ATOM 370 CG LEU A 24 -4.527 10.370 0.748 1.00 0.00 C ATOM 371 CD1 LEU A 24 -3.586 9.200 0.503 1.00 0.00 C ATOM 372 CD2 LEU A 24 -5.939 10.033 0.288 1.00 0.00 C ATOM 0 H LEU A 24 -6.840 10.844 3.057 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.059 8.733 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.088 11.682 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.491 10.983 2.520 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.177 11.221 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.604 8.934 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.573 9.482 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.906 8.345 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.922 9.758 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.323 9.198 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.584 10.901 0.426 1.00 0.00 H new ATOM 384 N GLN A 25 -4.389 10.630 5.330 1.00 0.00 N ATOM 385 CA GLN A 25 -3.582 10.716 6.541 1.00 0.00 C ATOM 386 C GLN A 25 -3.894 9.567 7.492 1.00 0.00 C ATOM 387 O GLN A 25 -2.991 8.990 8.098 1.00 0.00 O ATOM 388 CB GLN A 25 -3.821 12.042 7.259 1.00 0.00 C ATOM 389 CG GLN A 25 -2.892 12.262 8.439 1.00 0.00 C ATOM 390 CD GLN A 25 -1.463 12.504 8.008 1.00 0.00 C ATOM 391 OE1 GLN A 25 -0.677 11.570 7.861 1.00 0.00 O ATOM 392 NE2 GLN A 25 -1.118 13.763 7.801 1.00 0.00 N ATOM 0 H GLN A 25 -5.076 11.377 5.227 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.536 10.653 6.240 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.695 12.859 6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.853 12.078 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.243 13.114 9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.929 11.392 9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.802 14.508 7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.168 13.990 7.508 1.00 0.00 H new ATOM 401 N LEU A 26 -5.176 9.242 7.617 1.00 0.00 N ATOM 402 CA LEU A 26 -5.619 8.190 8.526 1.00 0.00 C ATOM 403 C LEU A 26 -4.957 6.861 8.194 1.00 0.00 C ATOM 404 O LEU A 26 -4.495 6.148 9.082 1.00 0.00 O ATOM 405 CB LEU A 26 -7.134 8.039 8.479 1.00 0.00 C ATOM 406 CG LEU A 26 -7.916 9.259 8.965 1.00 0.00 C ATOM 407 CD1 LEU A 26 -9.379 8.913 9.101 1.00 0.00 C ATOM 408 CD2 LEU A 26 -7.364 9.770 10.287 1.00 0.00 C ATOM 0 H LEU A 26 -5.929 9.693 7.098 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.323 8.481 9.534 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.431 7.819 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.418 7.178 9.084 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.807 10.054 8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.929 9.788 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.770 8.599 8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.496 8.102 9.820 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.939 10.638 10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.438 8.985 11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.319 10.053 10.160 1.00 0.00 H new ATOM 420 N PHE A 27 -4.897 6.543 6.911 1.00 0.00 N ATOM 421 CA PHE A 27 -4.295 5.295 6.468 1.00 0.00 C ATOM 422 C PHE A 27 -2.777 5.425 6.368 1.00 0.00 C ATOM 423 O PHE A 27 -2.050 4.451 6.561 1.00 0.00 O ATOM 424 CB PHE A 27 -4.905 4.856 5.135 1.00 0.00 C ATOM 425 CG PHE A 27 -6.340 4.426 5.262 1.00 0.00 C ATOM 426 CD1 PHE A 27 -7.368 5.235 4.808 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.658 3.214 5.854 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.685 4.843 4.942 1.00 0.00 C ATOM 429 CE2 PHE A 27 -7.972 2.817 5.987 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.987 3.633 5.532 1.00 0.00 C ATOM 0 H PHE A 27 -5.257 7.130 6.159 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.508 4.525 7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.839 5.678 4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.319 4.033 4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.137 6.183 4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.868 2.573 6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.478 5.483 4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.206 1.868 6.447 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.017 3.325 5.638 1.00 0.00 H new ATOM 440 N SER A 28 -2.304 6.639 6.095 1.00 0.00 N ATOM 441 CA SER A 28 -0.872 6.928 6.070 1.00 0.00 C ATOM 442 C SER A 28 -0.257 6.665 7.441 1.00 0.00 C ATOM 443 O SER A 28 0.909 6.282 7.553 1.00 0.00 O ATOM 444 CB SER A 28 -0.635 8.389 5.663 1.00 0.00 C ATOM 445 OG SER A 28 0.749 8.685 5.548 1.00 0.00 O ATOM 0 H SER A 28 -2.896 7.443 5.887 1.00 0.00 H new ATOM 0 HA SER A 28 -0.397 6.274 5.339 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.129 8.586 4.712 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.088 9.050 6.401 1.00 0.00 H new ATOM 0 HG SER A 28 0.862 9.623 5.286 1.00 0.00 H new ATOM 451 N GLN A 29 -1.063 6.873 8.477 1.00 0.00 N ATOM 452 CA GLN A 29 -0.642 6.651 9.852 1.00 0.00 C ATOM 453 C GLN A 29 -0.312 5.178 10.082 1.00 0.00 C ATOM 454 O GLN A 29 0.517 4.842 10.925 1.00 0.00 O ATOM 455 CB GLN A 29 -1.759 7.095 10.806 1.00 0.00 C ATOM 456 CG GLN A 29 -1.369 7.096 12.277 1.00 0.00 C ATOM 457 CD GLN A 29 -0.299 8.120 12.595 1.00 0.00 C ATOM 458 OE1 GLN A 29 0.894 7.821 12.569 1.00 0.00 O ATOM 459 NE2 GLN A 29 -0.724 9.341 12.889 1.00 0.00 N ATOM 0 H GLN A 29 -2.025 7.200 8.385 1.00 0.00 H new ATOM 0 HA GLN A 29 0.256 7.237 10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.080 8.099 10.527 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.618 6.437 10.671 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.252 7.298 12.883 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.012 6.104 12.555 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.723 9.545 12.899 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.052 10.077 13.105 1.00 0.00 H new ATOM 468 N ILE A 30 -0.954 4.305 9.317 1.00 0.00 N ATOM 469 CA ILE A 30 -0.778 2.872 9.496 1.00 0.00 C ATOM 470 C ILE A 30 0.242 2.317 8.506 1.00 0.00 C ATOM 471 O ILE A 30 1.170 1.607 8.892 1.00 0.00 O ATOM 472 CB ILE A 30 -2.111 2.110 9.331 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.202 2.730 10.212 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.927 0.635 9.673 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.888 2.701 11.695 1.00 0.00 C ATOM 0 H ILE A 30 -1.598 4.564 8.570 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.413 2.724 10.512 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.424 2.190 8.290 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.359 3.764 9.905 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.139 2.200 10.039 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.876 0.112 9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.184 0.197 9.007 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.590 0.540 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.708 3.158 12.249 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.761 1.668 12.020 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.969 3.256 11.883 1.00 0.00 H new ATOM 487 N GLY A 31 0.075 2.635 7.229 1.00 0.00 N ATOM 488 CA GLY A 31 0.969 2.104 6.223 1.00 0.00 C ATOM 489 C GLY A 31 1.059 2.977 4.991 1.00 0.00 C ATOM 490 O GLY A 31 0.125 3.721 4.684 1.00 0.00 O ATOM 0 H GLY A 31 -0.660 3.248 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.964 1.989 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.630 1.109 5.933 1.00 0.00 H new ATOM 494 N PRO A 32 2.192 2.915 4.276 1.00 0.00 N ATOM 495 CA PRO A 32 2.374 3.621 3.005 1.00 0.00 C ATOM 496 C PRO A 32 1.262 3.308 2.006 1.00 0.00 C ATOM 497 O PRO A 32 1.121 2.171 1.534 1.00 0.00 O ATOM 498 CB PRO A 32 3.718 3.099 2.499 1.00 0.00 C ATOM 499 CG PRO A 32 4.450 2.693 3.732 1.00 0.00 C ATOM 500 CD PRO A 32 3.402 2.166 4.669 1.00 0.00 C ATOM 0 HA PRO A 32 2.345 4.704 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.586 2.256 1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.261 3.868 1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.197 1.931 3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.978 3.539 4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.265 1.091 4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.666 2.346 5.711 1.00 0.00 H new ATOM 508 N CYS A 33 0.475 4.326 1.696 1.00 0.00 N ATOM 509 CA CYS A 33 -0.653 4.192 0.792 1.00 0.00 C ATOM 510 C CYS A 33 -0.186 4.189 -0.658 1.00 0.00 C ATOM 511 O CYS A 33 0.670 4.981 -1.058 1.00 0.00 O ATOM 512 CB CYS A 33 -1.639 5.335 1.030 1.00 0.00 C ATOM 513 SG CYS A 33 -2.167 5.491 2.753 1.00 0.00 S ATOM 0 H CYS A 33 0.602 5.268 2.065 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.150 3.242 0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.180 6.271 0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.517 5.183 0.402 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.330 4.860 3.522 1.00 0.00 H new ATOM 519 N LYS A 34 -0.752 3.277 -1.432 1.00 0.00 N ATOM 520 CA LYS A 34 -0.403 3.114 -2.834 1.00 0.00 C ATOM 521 C LYS A 34 -1.269 4.010 -3.708 1.00 0.00 C ATOM 522 O LYS A 34 -0.763 4.742 -4.558 1.00 0.00 O ATOM 523 CB LYS A 34 -0.580 1.648 -3.236 1.00 0.00 C ATOM 524 CG LYS A 34 -0.402 1.381 -4.720 1.00 0.00 C ATOM 525 CD LYS A 34 -0.675 -0.076 -5.043 1.00 0.00 C ATOM 526 CE LYS A 34 -0.615 -0.345 -6.538 1.00 0.00 C ATOM 527 NZ LYS A 34 0.721 -0.039 -7.112 1.00 0.00 N ATOM 0 H LYS A 34 -1.468 2.628 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 34 0.638 3.403 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.137 1.042 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.575 1.319 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.077 2.017 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.613 1.641 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.054 -0.704 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.658 -0.354 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.859 -1.390 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.372 0.255 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.751 -0.348 -8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.894 0.985 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.454 -0.540 -6.571 1.00 0.00 H new ATOM 541 N ASN A 35 -2.572 3.953 -3.482 1.00 0.00 N ATOM 542 CA ASN A 35 -3.526 4.755 -4.238 1.00 0.00 C ATOM 543 C ASN A 35 -4.865 4.758 -3.522 1.00 0.00 C ATOM 544 O ASN A 35 -5.202 3.798 -2.827 1.00 0.00 O ATOM 545 CB ASN A 35 -3.682 4.209 -5.663 1.00 0.00 C ATOM 546 CG ASN A 35 -4.693 4.984 -6.491 1.00 0.00 C ATOM 547 OD1 ASN A 35 -5.871 4.635 -6.532 1.00 0.00 O ATOM 548 ND2 ASN A 35 -4.241 6.037 -7.154 1.00 0.00 N ATOM 0 H ASN A 35 -2.998 3.354 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.154 5.777 -4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.714 4.236 -6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.987 3.164 -5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.878 6.592 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.256 6.293 -7.093 1.00 0.00 H new ATOM 555 N CYS A 36 -5.616 5.834 -3.681 1.00 0.00 N ATOM 556 CA CYS A 36 -6.906 5.968 -3.029 1.00 0.00 C ATOM 557 C CYS A 36 -7.955 6.405 -4.041 1.00 0.00 C ATOM 558 O CYS A 36 -7.910 7.522 -4.554 1.00 0.00 O ATOM 559 CB CYS A 36 -6.811 6.978 -1.886 1.00 0.00 C ATOM 560 SG CYS A 36 -5.545 6.574 -0.656 1.00 0.00 S ATOM 0 H CYS A 36 -5.352 6.632 -4.260 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.201 5.003 -2.616 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.599 7.963 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.779 7.043 -1.389 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.909 7.028 0.506 1.00 0.00 H new ATOM 566 N LYS A 37 -8.882 5.513 -4.344 1.00 0.00 N ATOM 567 CA LYS A 37 -9.912 5.790 -5.330 1.00 0.00 C ATOM 568 C LYS A 37 -11.201 6.239 -4.671 1.00 0.00 C ATOM 569 O LYS A 37 -11.914 5.439 -4.072 1.00 0.00 O ATOM 570 CB LYS A 37 -10.181 4.556 -6.183 1.00 0.00 C ATOM 571 CG LYS A 37 -9.012 4.158 -7.063 1.00 0.00 C ATOM 572 CD LYS A 37 -8.768 5.171 -8.170 1.00 0.00 C ATOM 573 CE LYS A 37 -9.939 5.234 -9.143 1.00 0.00 C ATOM 574 NZ LYS A 37 -10.181 3.929 -9.816 1.00 0.00 N ATOM 0 H LYS A 37 -8.942 4.587 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.548 6.597 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.433 3.721 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.051 4.743 -6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.114 4.063 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.204 3.179 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.605 6.156 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.859 4.908 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.839 5.537 -8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.744 5.998 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.816 4.070 -10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.277 3.536 -10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.620 3.268 -9.144 1.00 0.00 H new ATOM 588 N MET A 38 -11.492 7.516 -4.791 1.00 0.00 N ATOM 589 CA MET A 38 -12.749 8.061 -4.301 1.00 0.00 C ATOM 590 C MET A 38 -13.793 7.995 -5.399 1.00 0.00 C ATOM 591 O MET A 38 -13.813 8.827 -6.307 1.00 0.00 O ATOM 592 CB MET A 38 -12.585 9.506 -3.820 1.00 0.00 C ATOM 593 CG MET A 38 -12.015 9.637 -2.411 1.00 0.00 C ATOM 594 SD MET A 38 -10.328 9.017 -2.262 1.00 0.00 S ATOM 595 CE MET A 38 -9.456 10.120 -3.369 1.00 0.00 C ATOM 0 H MET A 38 -10.875 8.203 -5.225 1.00 0.00 H new ATOM 0 HA MET A 38 -13.071 7.462 -3.449 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.933 10.036 -4.514 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.556 10.001 -3.854 1.00 0.00 H new ATOM 0 HG2 MET A 38 -12.037 10.686 -2.114 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.656 9.095 -1.716 1.00 0.00 H new ATOM 0 HE1 MET A 38 -8.388 10.084 -3.152 1.00 0.00 H new ATOM 0 HE2 MET A 38 -9.628 9.811 -4.400 1.00 0.00 H new ATOM 0 HE3 MET A 38 -9.820 11.138 -3.230 1.00 0.00 H new ATOM 605 N ILE A 39 -14.646 6.993 -5.321 1.00 0.00 N ATOM 606 CA ILE A 39 -15.664 6.784 -6.335 1.00 0.00 C ATOM 607 C ILE A 39 -16.802 7.780 -6.153 1.00 0.00 C ATOM 608 O ILE A 39 -17.552 7.709 -5.182 1.00 0.00 O ATOM 609 CB ILE A 39 -16.222 5.344 -6.290 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.086 4.321 -6.431 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.266 5.139 -7.382 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.291 4.460 -7.714 1.00 0.00 C ATOM 0 H ILE A 39 -14.655 6.309 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.196 6.938 -7.308 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.703 5.193 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.409 4.425 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.507 3.317 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.647 4.119 -7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.087 5.841 -7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.811 5.311 -8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.507 3.703 -7.740 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.954 4.326 -8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.840 5.451 -7.757 1.00 0.00 H new ATOM 710 N PRO A 47 -21.049 7.464 -1.119 1.00 0.00 N ATOM 711 CA PRO A 47 -19.736 7.408 -1.757 1.00 0.00 C ATOM 712 C PRO A 47 -18.805 6.427 -1.052 1.00 0.00 C ATOM 713 O PRO A 47 -18.870 6.259 0.171 1.00 0.00 O ATOM 714 CB PRO A 47 -19.199 8.844 -1.630 1.00 0.00 C ATOM 715 CG PRO A 47 -20.299 9.644 -1.004 1.00 0.00 C ATOM 716 CD PRO A 47 -21.181 8.661 -0.292 1.00 0.00 C ATOM 0 HA PRO A 47 -19.800 7.063 -2.789 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.299 8.871 -1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.930 9.248 -2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -19.897 10.381 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.860 10.193 -1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -20.850 8.486 0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.214 9.006 -0.239 1.00 0.00 H new ATOM 724 N TYR A 48 -17.937 5.785 -1.820 1.00 0.00 N ATOM 725 CA TYR A 48 -17.015 4.809 -1.266 1.00 0.00 C ATOM 726 C TYR A 48 -15.621 4.975 -1.857 1.00 0.00 C ATOM 727 O TYR A 48 -15.461 5.453 -2.982 1.00 0.00 O ATOM 728 CB TYR A 48 -17.534 3.377 -1.476 1.00 0.00 C ATOM 729 CG TYR A 48 -18.103 3.101 -2.853 1.00 0.00 C ATOM 730 CD1 TYR A 48 -17.330 2.513 -3.848 1.00 0.00 C ATOM 731 CD2 TYR A 48 -19.421 3.423 -3.153 1.00 0.00 C ATOM 732 CE1 TYR A 48 -17.858 2.255 -5.101 1.00 0.00 C ATOM 733 CE2 TYR A 48 -19.953 3.169 -4.401 1.00 0.00 C ATOM 734 CZ TYR A 48 -19.168 2.586 -5.372 1.00 0.00 C ATOM 735 OH TYR A 48 -19.698 2.336 -6.616 1.00 0.00 O ATOM 0 H TYR A 48 -17.853 5.923 -2.827 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.947 4.987 -0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.718 2.679 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.304 3.173 -0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.302 2.254 -3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -20.040 3.880 -2.396 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.246 1.796 -5.863 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.980 3.426 -4.616 1.00 0.00 H new ATOM 0 HH TYR A 48 -20.633 2.629 -6.638 1.00 0.00 H new ATOM 745 N CYS A 49 -14.623 4.589 -1.079 1.00 0.00 N ATOM 746 CA CYS A 49 -13.235 4.771 -1.456 1.00 0.00 C ATOM 747 C CYS A 49 -12.478 3.447 -1.412 1.00 0.00 C ATOM 748 O CYS A 49 -12.679 2.630 -0.511 1.00 0.00 O ATOM 749 CB CYS A 49 -12.569 5.785 -0.518 1.00 0.00 C ATOM 750 SG CYS A 49 -10.816 6.086 -0.860 1.00 0.00 S ATOM 0 H CYS A 49 -14.754 4.142 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.204 5.148 -2.478 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.107 6.731 -0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.671 5.433 0.508 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.623 7.358 -1.049 1.00 0.00 H new ATOM 756 N PHE A 50 -11.625 3.242 -2.403 1.00 0.00 N ATOM 757 CA PHE A 50 -10.754 2.079 -2.451 1.00 0.00 C ATOM 758 C PHE A 50 -9.320 2.493 -2.174 1.00 0.00 C ATOM 759 O PHE A 50 -8.674 3.114 -3.018 1.00 0.00 O ATOM 760 CB PHE A 50 -10.829 1.406 -3.819 1.00 0.00 C ATOM 761 CG PHE A 50 -12.145 0.742 -4.093 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.411 -0.518 -3.587 1.00 0.00 C ATOM 763 CD2 PHE A 50 -13.110 1.372 -4.860 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.617 -1.138 -3.838 1.00 0.00 C ATOM 765 CE2 PHE A 50 -14.321 0.757 -5.116 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.575 -0.501 -4.603 1.00 0.00 C ATOM 0 H PHE A 50 -11.517 3.876 -3.195 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.085 1.373 -1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.640 2.151 -4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.035 0.663 -3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.666 -1.022 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.914 2.355 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.813 -2.121 -3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -15.067 1.258 -5.715 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.520 -0.985 -4.800 1.00 0.00 H new ATOM 776 N VAL A 51 -8.823 2.165 -0.995 1.00 0.00 N ATOM 777 CA VAL A 51 -7.458 2.516 -0.638 1.00 0.00 C ATOM 778 C VAL A 51 -6.540 1.296 -0.708 1.00 0.00 C ATOM 779 O VAL A 51 -6.803 0.264 -0.089 1.00 0.00 O ATOM 780 CB VAL A 51 -7.368 3.174 0.762 1.00 0.00 C ATOM 781 CG1 VAL A 51 -8.048 4.532 0.764 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.977 2.282 1.833 1.00 0.00 C ATOM 0 H VAL A 51 -9.338 1.661 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.123 3.251 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.311 3.310 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.972 4.975 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.562 5.183 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.099 4.413 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.898 2.772 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.027 2.101 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.443 1.332 1.862 1.00 0.00 H new ATOM 792 N GLU A 52 -5.480 1.413 -1.491 1.00 0.00 N ATOM 793 CA GLU A 52 -4.511 0.335 -1.634 1.00 0.00 C ATOM 794 C GLU A 52 -3.265 0.630 -0.810 1.00 0.00 C ATOM 795 O GLU A 52 -2.840 1.781 -0.703 1.00 0.00 O ATOM 796 CB GLU A 52 -4.125 0.145 -3.104 1.00 0.00 C ATOM 797 CG GLU A 52 -5.283 -0.277 -3.994 1.00 0.00 C ATOM 798 CD GLU A 52 -4.847 -0.594 -5.412 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.468 -1.757 -5.675 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.879 0.314 -6.269 1.00 0.00 O ATOM 0 H GLU A 52 -5.267 2.246 -2.040 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.971 -0.584 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.709 1.078 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.337 -0.605 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.767 -1.153 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.027 0.519 -4.017 1.00 0.00 H new ATOM 807 N PHE A 53 -2.690 -0.411 -0.233 1.00 0.00 N ATOM 808 CA PHE A 53 -1.486 -0.278 0.577 1.00 0.00 C ATOM 809 C PHE A 53 -0.328 -1.035 -0.047 1.00 0.00 C ATOM 810 O PHE A 53 -0.526 -1.992 -0.794 1.00 0.00 O ATOM 811 CB PHE A 53 -1.721 -0.831 1.986 1.00 0.00 C ATOM 812 CG PHE A 53 -2.489 0.082 2.891 1.00 0.00 C ATOM 813 CD1 PHE A 53 -3.866 0.180 2.800 1.00 0.00 C ATOM 814 CD2 PHE A 53 -1.829 0.832 3.850 1.00 0.00 C ATOM 815 CE1 PHE A 53 -4.569 1.011 3.648 1.00 0.00 C ATOM 816 CE2 PHE A 53 -2.528 1.666 4.697 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.899 1.753 4.595 1.00 0.00 C ATOM 0 H PHE A 53 -3.039 -1.366 -0.310 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.244 0.784 0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.256 -1.778 1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.756 -1.048 2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.396 -0.399 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.755 0.763 3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.644 1.079 3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.002 2.249 5.438 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.449 2.404 5.258 1.00 0.00 H new ATOM 827 N HIS A 54 0.886 -0.599 0.272 1.00 0.00 N ATOM 828 CA HIS A 54 2.083 -1.361 -0.074 1.00 0.00 C ATOM 829 C HIS A 54 2.356 -2.351 1.045 1.00 0.00 C ATOM 830 O HIS A 54 3.217 -3.223 0.938 1.00 0.00 O ATOM 831 CB HIS A 54 3.306 -0.452 -0.263 1.00 0.00 C ATOM 832 CG HIS A 54 3.219 0.458 -1.450 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.698 0.121 -2.699 1.00 0.00 N ATOM 834 CD2 HIS A 54 2.709 1.704 -1.570 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.484 1.121 -3.531 1.00 0.00 C ATOM 836 NE2 HIS A 54 2.889 2.095 -2.874 1.00 0.00 N ATOM 0 H HIS A 54 1.068 0.274 0.767 1.00 0.00 H new ATOM 0 HA HIS A 54 1.909 -1.874 -1.020 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.437 0.152 0.635 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.195 -1.075 -0.361 1.00 0.00 H new ATOM 0 HD1 HIS A 54 4.147 -0.762 -2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.246 2.284 -0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.752 1.139 -4.577 1.00 0.00 H new ATOM 845 N GLU A 55 1.592 -2.194 2.117 1.00 0.00 N ATOM 846 CA GLU A 55 1.752 -2.992 3.318 1.00 0.00 C ATOM 847 C GLU A 55 0.492 -3.803 3.597 1.00 0.00 C ATOM 848 O GLU A 55 -0.431 -3.314 4.243 1.00 0.00 O ATOM 849 CB GLU A 55 2.024 -2.071 4.505 1.00 0.00 C ATOM 850 CG GLU A 55 3.290 -1.247 4.373 1.00 0.00 C ATOM 851 CD GLU A 55 4.533 -2.053 4.657 1.00 0.00 C ATOM 852 OE1 GLU A 55 4.652 -2.556 5.790 1.00 0.00 O ATOM 853 OE2 GLU A 55 5.391 -2.168 3.762 1.00 0.00 O ATOM 0 H GLU A 55 0.841 -1.506 2.175 1.00 0.00 H new ATOM 0 HA GLU A 55 2.588 -3.676 3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.176 -1.397 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.088 -2.673 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.349 -0.836 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.243 -0.402 5.060 1.00 0.00 H new ATOM 860 N HIS A 56 0.455 -5.039 3.119 1.00 0.00 N ATOM 861 CA HIS A 56 -0.669 -5.929 3.396 1.00 0.00 C ATOM 862 C HIS A 56 -0.717 -6.242 4.891 1.00 0.00 C ATOM 863 O HIS A 56 -1.783 -6.472 5.458 1.00 0.00 O ATOM 864 CB HIS A 56 -0.546 -7.219 2.568 1.00 0.00 C ATOM 865 CG HIS A 56 -1.641 -8.226 2.797 1.00 0.00 C ATOM 866 ND1 HIS A 56 -2.783 -8.286 2.027 1.00 0.00 N ATOM 867 CD2 HIS A 56 -1.745 -9.235 3.698 1.00 0.00 C ATOM 868 CE1 HIS A 56 -3.540 -9.288 2.444 1.00 0.00 C ATOM 869 NE2 HIS A 56 -2.933 -9.878 3.453 1.00 0.00 N ATOM 0 H HIS A 56 1.187 -5.449 2.539 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.599 -5.436 3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.531 -6.955 1.511 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.412 -7.688 2.793 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.027 -9.486 4.465 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.495 -9.574 2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -3.288 -10.683 3.969 1.00 0.00 H new ATOM 878 N ARG A 57 0.454 -6.225 5.520 1.00 0.00 N ATOM 879 CA ARG A 57 0.567 -6.451 6.957 1.00 0.00 C ATOM 880 C ARG A 57 -0.049 -5.289 7.731 1.00 0.00 C ATOM 881 O ARG A 57 -0.689 -5.483 8.762 1.00 0.00 O ATOM 882 CB ARG A 57 2.039 -6.617 7.347 1.00 0.00 C ATOM 883 CG ARG A 57 2.254 -6.935 8.819 1.00 0.00 C ATOM 884 CD ARG A 57 1.680 -8.293 9.185 1.00 0.00 C ATOM 885 NE ARG A 57 2.354 -9.380 8.476 1.00 0.00 N ATOM 886 CZ ARG A 57 1.765 -10.516 8.105 1.00 0.00 C ATOM 887 NH1 ARG A 57 0.482 -10.727 8.374 1.00 0.00 N ATOM 888 NH2 ARG A 57 2.470 -11.447 7.471 1.00 0.00 N ATOM 0 H ARG A 57 1.345 -6.056 5.053 1.00 0.00 H new ATOM 0 HA ARG A 57 0.025 -7.363 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.477 -7.414 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.576 -5.701 7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.320 -6.917 9.044 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.786 -6.164 9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.773 -8.448 10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.616 -8.312 8.951 1.00 0.00 H new ATOM 0 HE ARG A 57 3.342 -9.260 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.059 -10.017 8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.037 -11.599 8.087 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.458 -11.290 7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.023 -12.318 7.185 1.00 0.00 H new ATOM 902 N HIS A 58 0.133 -4.079 7.216 1.00 0.00 N ATOM 903 CA HIS A 58 -0.368 -2.886 7.886 1.00 0.00 C ATOM 904 C HIS A 58 -1.828 -2.637 7.533 1.00 0.00 C ATOM 905 O HIS A 58 -2.566 -2.029 8.304 1.00 0.00 O ATOM 906 CB HIS A 58 0.480 -1.661 7.532 1.00 0.00 C ATOM 907 CG HIS A 58 1.738 -1.536 8.345 1.00 0.00 C ATOM 908 ND1 HIS A 58 3.011 -1.654 7.817 1.00 0.00 N ATOM 909 CD2 HIS A 58 1.911 -1.259 9.660 1.00 0.00 C ATOM 910 CE1 HIS A 58 3.902 -1.449 8.769 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.260 -1.211 9.898 1.00 0.00 N ATOM 0 H HIS A 58 0.622 -3.899 6.339 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.297 -3.055 8.961 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.745 -1.708 6.476 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.121 -0.763 7.671 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.228 -1.866 6.843 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.128 -1.104 10.388 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.975 -1.472 8.645 1.00 0.00 H new ATOM 920 N ALA A 59 -2.239 -3.120 6.368 1.00 0.00 N ATOM 921 CA ALA A 59 -3.624 -3.000 5.928 1.00 0.00 C ATOM 922 C ALA A 59 -4.581 -3.615 6.948 1.00 0.00 C ATOM 923 O ALA A 59 -5.662 -3.083 7.204 1.00 0.00 O ATOM 924 CB ALA A 59 -3.794 -3.666 4.573 1.00 0.00 C ATOM 0 H ALA A 59 -1.629 -3.601 5.707 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.867 -1.941 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.831 -3.573 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.142 -3.182 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.531 -4.721 4.651 1.00 0.00 H new ATOM 930 N ALA A 60 -4.158 -4.730 7.534 1.00 0.00 N ATOM 931 CA ALA A 60 -4.942 -5.423 8.550 1.00 0.00 C ATOM 932 C ALA A 60 -5.160 -4.544 9.778 1.00 0.00 C ATOM 933 O ALA A 60 -6.268 -4.466 10.315 1.00 0.00 O ATOM 934 CB ALA A 60 -4.239 -6.708 8.951 1.00 0.00 C ATOM 0 H ALA A 60 -3.267 -5.177 7.320 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.919 -5.657 8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.828 -7.223 9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.131 -7.351 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.254 -6.473 9.353 1.00 0.00 H new ATOM 940 N ALA A 61 -4.093 -3.887 10.213 1.00 0.00 N ATOM 941 CA ALA A 61 -4.146 -3.024 11.385 1.00 0.00 C ATOM 942 C ALA A 61 -5.016 -1.801 11.122 1.00 0.00 C ATOM 943 O ALA A 61 -5.758 -1.353 11.997 1.00 0.00 O ATOM 944 CB ALA A 61 -2.743 -2.602 11.792 1.00 0.00 C ATOM 0 H ALA A 61 -3.176 -3.936 9.769 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.594 -3.587 12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.797 -1.957 12.669 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.151 -3.486 12.028 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.274 -2.059 10.971 1.00 0.00 H new ATOM 950 N ALA A 62 -4.923 -1.272 9.907 1.00 0.00 N ATOM 951 CA ALA A 62 -5.733 -0.130 9.503 1.00 0.00 C ATOM 952 C ALA A 62 -7.216 -0.481 9.545 1.00 0.00 C ATOM 953 O ALA A 62 -8.036 0.296 10.032 1.00 0.00 O ATOM 954 CB ALA A 62 -5.337 0.338 8.109 1.00 0.00 C ATOM 0 H ALA A 62 -4.293 -1.617 9.183 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.552 0.683 10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.952 1.191 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.287 0.631 8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.488 -0.473 7.396 1.00 0.00 H new ATOM 960 N LEU A 63 -7.548 -1.665 9.044 1.00 0.00 N ATOM 961 CA LEU A 63 -8.925 -2.146 9.032 1.00 0.00 C ATOM 962 C LEU A 63 -9.454 -2.271 10.459 1.00 0.00 C ATOM 963 O LEU A 63 -10.582 -1.881 10.752 1.00 0.00 O ATOM 964 CB LEU A 63 -8.991 -3.498 8.301 1.00 0.00 C ATOM 965 CG LEU A 63 -10.395 -4.035 7.979 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.337 -4.944 6.766 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.985 -4.798 9.157 1.00 0.00 C ATOM 0 H LEU A 63 -6.876 -2.315 8.637 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.554 -1.431 8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.437 -3.408 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.473 -4.240 8.908 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.037 -3.180 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.336 -5.320 6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.962 -4.384 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.671 -5.782 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.978 -5.163 8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.341 -5.643 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.059 -4.135 10.019 1.00 0.00 H new ATOM 979 N ALA A 64 -8.613 -2.778 11.349 1.00 0.00 N ATOM 980 CA ALA A 64 -9.012 -3.022 12.729 1.00 0.00 C ATOM 981 C ALA A 64 -9.213 -1.721 13.508 1.00 0.00 C ATOM 982 O ALA A 64 -10.092 -1.634 14.369 1.00 0.00 O ATOM 983 CB ALA A 64 -7.977 -3.895 13.425 1.00 0.00 C ATOM 0 H ALA A 64 -7.647 -3.029 11.140 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.971 -3.540 12.706 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.284 -4.072 14.456 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.894 -4.848 12.903 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.011 -3.391 13.416 1.00 0.00 H new ATOM 989 N ALA A 65 -8.408 -0.713 13.202 1.00 0.00 N ATOM 990 CA ALA A 65 -8.425 0.529 13.965 1.00 0.00 C ATOM 991 C ALA A 65 -9.417 1.545 13.405 1.00 0.00 C ATOM 992 O ALA A 65 -9.982 2.344 14.149 1.00 0.00 O ATOM 993 CB ALA A 65 -7.027 1.130 14.012 1.00 0.00 C ATOM 0 H ALA A 65 -7.737 -0.730 12.434 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.754 0.284 14.975 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.049 2.058 14.584 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.344 0.426 14.488 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.686 1.337 12.998 1.00 0.00 H new ATOM 999 N MET A 66 -9.639 1.519 12.099 1.00 0.00 N ATOM 1000 CA MET A 66 -10.442 2.557 11.463 1.00 0.00 C ATOM 1001 C MET A 66 -11.897 2.139 11.272 1.00 0.00 C ATOM 1002 O MET A 66 -12.782 2.991 11.208 1.00 0.00 O ATOM 1003 CB MET A 66 -9.827 2.969 10.125 1.00 0.00 C ATOM 1004 CG MET A 66 -8.438 3.571 10.262 1.00 0.00 C ATOM 1005 SD MET A 66 -8.402 5.003 11.361 1.00 0.00 S ATOM 1006 CE MET A 66 -6.644 5.344 11.409 1.00 0.00 C ATOM 0 H MET A 66 -9.282 0.803 11.466 1.00 0.00 H new ATOM 0 HA MET A 66 -10.441 3.413 12.137 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.775 2.097 9.473 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.482 3.692 9.639 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.753 2.812 10.640 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.076 3.865 9.277 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.287 5.269 12.436 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.116 4.621 10.787 1.00 0.00 H new ATOM 0 HE3 MET A 66 -6.458 6.350 11.033 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.157 0.841 11.186 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.526 0.365 10.994 1.00 0.00 C ATOM 1018 C ASN A 67 -14.322 0.498 12.285 1.00 0.00 C ATOM 1019 O ASN A 67 -13.808 0.227 13.372 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.542 -1.091 10.517 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.950 -1.607 10.257 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.492 -1.436 9.164 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.551 -2.247 11.251 1.00 0.00 N ATOM 0 H ASN A 67 -11.452 0.106 11.245 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.990 0.983 10.225 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.953 -1.177 9.604 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.061 -1.720 11.266 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.493 -2.617 11.124 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.071 -2.370 12.143 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.572 0.930 12.163 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.429 1.057 13.325 1.00 0.00 C ATOM 1032 C GLY A 68 -16.182 2.338 14.089 1.00 0.00 C ATOM 1033 O GLY A 68 -16.681 2.513 15.204 1.00 0.00 O ATOM 0 H GLY A 68 -16.007 1.195 11.279 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.472 1.021 13.009 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.267 0.206 13.987 1.00 0.00 H new ATOM 1037 N ARG A 69 -15.404 3.232 13.500 1.00 0.00 N ATOM 1038 CA ARG A 69 -15.041 4.472 14.162 1.00 0.00 C ATOM 1039 C ARG A 69 -15.943 5.605 13.687 1.00 0.00 C ATOM 1040 O ARG A 69 -16.558 5.515 12.625 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.575 4.814 13.877 1.00 0.00 C ATOM 1042 CG ARG A 69 -13.025 5.950 14.730 1.00 0.00 C ATOM 1043 CD ARG A 69 -12.685 5.496 16.146 1.00 0.00 C ATOM 1044 NE ARG A 69 -13.859 5.059 16.903 1.00 0.00 N ATOM 1045 CZ ARG A 69 -14.360 5.720 17.947 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -13.825 6.875 18.326 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -15.402 5.231 18.606 1.00 0.00 N ATOM 0 H ARG A 69 -15.012 3.121 12.565 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.171 4.345 15.237 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.967 3.924 14.040 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.473 5.081 12.825 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.132 6.357 14.257 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.758 6.756 14.775 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.966 4.678 16.097 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.201 6.315 16.678 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.322 4.197 16.615 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.028 7.259 17.818 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.211 7.378 19.125 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.821 4.348 18.314 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.784 5.738 19.404 1.00 0.00 H new ATOM 1061 N LYS A 70 -16.022 6.667 14.473 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.832 7.816 14.111 1.00 0.00 C ATOM 1063 C LYS A 70 -15.955 8.882 13.473 1.00 0.00 C ATOM 1064 O LYS A 70 -15.225 9.594 14.164 1.00 0.00 O ATOM 1065 CB LYS A 70 -17.533 8.399 15.339 1.00 0.00 C ATOM 1066 CG LYS A 70 -18.572 9.456 14.994 1.00 0.00 C ATOM 1067 CD LYS A 70 -18.888 10.347 16.183 1.00 0.00 C ATOM 1068 CE LYS A 70 -17.695 11.215 16.547 1.00 0.00 C ATOM 1069 NZ LYS A 70 -17.972 12.084 17.720 1.00 0.00 N ATOM 0 H LYS A 70 -15.535 6.756 15.365 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.591 7.490 13.401 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -18.015 7.592 15.891 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.786 8.836 16.002 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.208 10.067 14.168 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.485 8.970 14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.745 10.980 15.950 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.169 9.732 17.038 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.837 10.579 16.763 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.425 11.836 15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.131 12.658 17.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.774 12.710 17.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.204 11.492 18.543 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.010 8.977 12.159 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.246 9.985 11.444 1.00 0.00 C ATOM 1085 C ILE A 71 -16.162 11.136 11.056 1.00 0.00 C ATOM 1086 O ILE A 71 -17.157 10.930 10.360 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.565 9.406 10.184 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.614 8.266 10.573 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.818 10.499 9.431 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.923 7.624 9.394 1.00 0.00 C ATOM 0 H ILE A 71 -16.574 8.370 11.564 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.458 10.343 12.107 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.334 9.004 9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.860 8.652 11.259 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -14.176 7.504 11.113 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.345 10.073 8.546 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.519 11.277 9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.055 10.931 10.079 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.267 6.827 9.746 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.669 7.207 8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.333 8.373 8.866 1.00 0.00 H new ATOM 1102 N MET A 72 -15.826 12.334 11.541 1.00 0.00 N ATOM 1103 CA MET A 72 -16.637 13.540 11.338 1.00 0.00 C ATOM 1104 C MET A 72 -17.957 13.438 12.100 1.00 0.00 C ATOM 1105 O MET A 72 -18.152 14.107 13.116 1.00 0.00 O ATOM 1106 CB MET A 72 -16.903 13.802 9.847 1.00 0.00 C ATOM 1107 CG MET A 72 -15.652 14.123 9.046 1.00 0.00 C ATOM 1108 SD MET A 72 -14.837 15.632 9.603 1.00 0.00 S ATOM 1109 CE MET A 72 -16.120 16.843 9.278 1.00 0.00 C ATOM 0 H MET A 72 -14.981 12.497 12.088 1.00 0.00 H new ATOM 0 HA MET A 72 -16.068 14.383 11.729 1.00 0.00 H new ATOM 0 HB2 MET A 72 -17.385 12.925 9.414 1.00 0.00 H new ATOM 0 HB3 MET A 72 -17.605 14.630 9.753 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.954 13.289 9.121 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.916 14.225 7.993 1.00 0.00 H new ATOM 0 HE1 MET A 72 -15.696 17.846 9.331 1.00 0.00 H new ATOM 0 HE2 MET A 72 -16.534 16.676 8.284 1.00 0.00 H new ATOM 0 HE3 MET A 72 -16.911 16.744 10.022 1.00 0.00 H new ATOM 1119 N GLY A 73 -18.840 12.579 11.614 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.127 12.365 12.245 1.00 0.00 C ATOM 1121 C GLY A 73 -20.871 11.226 11.584 1.00 0.00 C ATOM 1122 O GLY A 73 -22.098 11.250 11.470 1.00 0.00 O ATOM 0 H GLY A 73 -18.684 12.016 10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -19.985 12.146 13.303 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -20.722 13.276 12.185 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.122 10.224 11.146 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.686 9.111 10.402 1.00 0.00 C ATOM 1128 C LYS A 74 -20.119 7.794 10.912 1.00 0.00 C ATOM 1129 O LYS A 74 -18.983 7.750 11.392 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.353 9.269 8.917 1.00 0.00 C ATOM 1131 CG LYS A 74 -21.486 8.889 7.978 1.00 0.00 C ATOM 1132 CD LYS A 74 -22.615 9.906 8.030 1.00 0.00 C ATOM 1133 CE LYS A 74 -22.129 11.287 7.628 1.00 0.00 C ATOM 1134 NZ LYS A 74 -23.238 12.268 7.518 1.00 0.00 N ATOM 0 H LYS A 74 -19.115 10.161 11.295 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.767 9.107 10.538 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -20.072 10.305 8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.483 8.655 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -21.107 8.816 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.869 7.904 8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -23.420 9.593 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -23.029 9.942 9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.405 11.642 8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -21.609 11.222 6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.856 13.195 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.917 11.945 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.719 12.352 8.436 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.913 6.734 10.818 1.00 0.00 N ATOM 1149 CA GLU A 75 -20.440 5.400 11.157 1.00 0.00 C ATOM 1150 C GLU A 75 -19.765 4.813 9.923 1.00 0.00 C ATOM 1151 O GLU A 75 -20.429 4.469 8.944 1.00 0.00 O ATOM 1152 CB GLU A 75 -21.618 4.524 11.615 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.241 3.394 12.571 1.00 0.00 C ATOM 1154 CD GLU A 75 -20.444 2.282 11.919 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -20.962 1.644 10.984 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -19.309 2.019 12.360 1.00 0.00 O ATOM 0 H GLU A 75 -21.885 6.773 10.511 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.725 5.442 11.979 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -22.358 5.160 12.100 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.096 4.093 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.662 3.807 13.397 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -22.151 2.974 12.999 1.00 0.00 H new ATOM 1163 N VAL A 76 -18.449 4.704 9.976 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.666 4.392 8.789 1.00 0.00 C ATOM 1165 C VAL A 76 -17.504 2.898 8.581 1.00 0.00 C ATOM 1166 O VAL A 76 -17.800 2.090 9.462 1.00 0.00 O ATOM 1167 CB VAL A 76 -16.271 5.029 8.856 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -16.377 6.529 9.083 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -15.443 4.358 9.938 1.00 0.00 C ATOM 0 H VAL A 76 -17.899 4.826 10.826 1.00 0.00 H new ATOM 0 HA VAL A 76 -18.222 4.806 7.948 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.766 4.878 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.378 6.962 9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.933 6.983 8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.897 6.719 10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.455 4.817 9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.938 4.478 10.902 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.341 3.296 9.712 1.00 0.00 H new ATOM 1179 N LYS A 77 -17.010 2.540 7.407 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.807 1.149 7.050 1.00 0.00 C ATOM 1181 C LYS A 77 -15.435 0.965 6.436 1.00 0.00 C ATOM 1182 O LYS A 77 -15.106 1.617 5.451 1.00 0.00 O ATOM 1183 CB LYS A 77 -17.877 0.703 6.052 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.289 1.027 6.495 1.00 0.00 C ATOM 1185 CD LYS A 77 -19.773 0.082 7.580 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.242 0.313 7.906 1.00 0.00 C ATOM 1187 NZ LYS A 77 -21.492 1.669 8.462 1.00 0.00 N ATOM 0 H LYS A 77 -16.740 3.202 6.680 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.881 0.542 7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.688 1.181 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.791 -0.372 5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.328 2.052 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.960 0.970 5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.629 -0.949 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.173 0.221 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.837 0.178 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.575 -0.438 8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.489 1.749 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.882 1.822 9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.280 2.385 7.738 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.636 0.099 7.030 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.340 -0.250 6.473 1.00 0.00 C ATOM 1203 C VAL A 78 -13.259 -1.760 6.341 1.00 0.00 C ATOM 1204 O VAL A 78 -13.008 -2.468 7.315 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.166 0.257 7.343 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -10.831 -0.049 6.679 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.299 1.748 7.610 1.00 0.00 C ATOM 0 H VAL A 78 -14.862 -0.379 7.903 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.250 0.233 5.500 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.201 -0.267 8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.019 0.316 7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.730 -1.126 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.787 0.443 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.463 2.084 8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.295 2.289 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.235 1.942 8.134 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.511 -2.253 5.145 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.562 -3.687 4.910 1.00 0.00 C ATOM 1219 C ASN A 79 -12.499 -4.084 3.901 1.00 0.00 C ATOM 1220 O ASN A 79 -11.930 -3.236 3.224 1.00 0.00 O ATOM 1221 CB ASN A 79 -14.950 -4.096 4.400 1.00 0.00 C ATOM 1222 CG ASN A 79 -16.073 -3.731 5.363 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -17.202 -3.471 4.946 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -15.775 -3.700 6.657 1.00 0.00 N ATOM 0 H ASN A 79 -13.684 -1.683 4.317 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.371 -4.203 5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.133 -3.616 3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -14.964 -5.172 4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.492 -3.455 7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.829 -3.921 6.968 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.220 -5.372 3.809 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.239 -5.867 2.858 1.00 0.00 C ATOM 1233 C TRP A 80 -11.900 -6.121 1.510 1.00 0.00 C ATOM 1234 O TRP A 80 -12.746 -7.009 1.371 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.543 -7.127 3.395 1.00 0.00 C ATOM 1236 CG TRP A 80 -11.450 -8.077 4.123 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.914 -7.943 5.400 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -11.976 -9.316 3.632 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -12.711 -9.007 5.728 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -12.764 -9.868 4.661 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -11.866 -10.009 2.421 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -13.434 -11.080 4.516 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -12.530 -11.213 2.280 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -13.308 -11.737 3.322 1.00 0.00 C ATOM 0 H TRP A 80 -12.658 -6.094 4.381 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.469 -5.108 2.719 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -10.080 -7.654 2.561 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.740 -6.825 4.067 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -11.685 -7.117 6.057 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -13.188 -9.138 6.620 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -11.273 -9.610 1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -14.032 -11.487 5.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -12.448 -11.759 1.352 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -13.818 -12.678 3.180 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.525 -5.315 0.527 1.00 0.00 N ATOM 1256 CA ALA A 81 -12.142 -5.370 -0.786 1.00 0.00 C ATOM 1257 C ALA A 81 -11.394 -6.323 -1.698 1.00 0.00 C ATOM 1258 O ALA A 81 -10.228 -6.100 -2.030 1.00 0.00 O ATOM 1259 CB ALA A 81 -12.204 -3.982 -1.403 1.00 0.00 C ATOM 0 H ALA A 81 -10.792 -4.612 0.617 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.159 -5.744 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.669 -4.042 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.792 -3.325 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.195 -3.583 -1.503 1.00 0.00 H new