USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 749 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 46 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Set 2.1: A 41 TYR OH : rot 63:sc= -0.112 USER MOD Set 2.2: A 63 ASN : amide:sc= 0.263 K(o=0.15,f=-0.39) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 47:sc= -3.53! USER MOD Single : A 10 THR OG1 : rot 130:sc= 0.0011 USER MOD Single : A 14 MET CE :methyl -175:sc= 0 (180deg=-0.0554) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 16 GLN : amide:sc= -1.4! X(o=-1.4!,f=-1.3) USER MOD Single : A 20 THR OG1 : rot -117:sc= -3.42 USER MOD Single : A 21 MET CE :methyl 176:sc= -3.08 (180deg=-3.15) USER MOD Single : A 23 SER OG : rot 170:sc= -0.685 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 33 GLN : amide:sc= -1 K(o=-1,f=-2.8!) USER MOD Single : A 35 ASN : amide:sc= -0.0592 K(o=-0.059,f=-0.65) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.022 USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.547) USER MOD Single : A 50 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.0051) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -107:sc= 1.18 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -159:sc= 0 (180deg=-0.124) USER MOD Single : A 60 SER OG : rot -101:sc= -0.685 USER MOD Single : A 61 GLN : amide:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.562! USER MOD Single : A 64 THR OG1 : rot 25:sc= 1.13 USER MOD Single : A 74 MET CE :methyl -165:sc= -0.0318 (180deg=-0.325) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.141 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0549 USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= -0.391 (180deg=-0.908) USER MOD Single : A 92 SER OG : rot 140:sc= -0.632 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -161:sc= 0 (180deg=-0.0277) USER MOD Single : A 96 CYS SG : rot 36:sc= 0.174 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot -157:sc= 1.01 USER MOD Single : A 101 THR OG1 : rot 4:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.005 -17.646 -4.921 1.00 0.00 N ATOM 60 CA GLY A 7 -1.211 -16.644 -5.608 1.00 0.00 C ATOM 61 C GLY A 7 0.175 -16.495 -5.013 1.00 0.00 C ATOM 62 O GLY A 7 0.627 -17.323 -4.222 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.124 -16.913 -6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.726 -15.685 -5.565 1.00 0.00 H new ATOM 66 N PRO A 8 0.876 -15.417 -5.398 1.00 0.00 N ATOM 67 CA PRO A 8 2.230 -15.138 -4.910 1.00 0.00 C ATOM 68 C PRO A 8 2.245 -14.744 -3.437 1.00 0.00 C ATOM 69 O PRO A 8 1.232 -14.308 -2.890 1.00 0.00 O ATOM 70 CB PRO A 8 2.686 -13.965 -5.782 1.00 0.00 C ATOM 71 CG PRO A 8 1.425 -13.296 -6.207 1.00 0.00 C ATOM 72 CD PRO A 8 0.400 -14.389 -6.338 1.00 0.00 C ATOM 0 HA PRO A 8 2.876 -16.013 -4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.327 -13.283 -5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.260 -14.311 -6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.111 -12.553 -5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.561 -12.773 -7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.598 -14.037 -6.077 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.347 -14.770 -7.358 1.00 0.00 H new ATOM 80 N SER A 9 3.402 -14.899 -2.800 1.00 0.00 N ATOM 81 CA SER A 9 3.548 -14.562 -1.388 1.00 0.00 C ATOM 82 C SER A 9 3.228 -13.091 -1.145 1.00 0.00 C ATOM 83 O SER A 9 2.832 -12.369 -2.061 1.00 0.00 O ATOM 84 CB SER A 9 4.969 -14.872 -0.913 1.00 0.00 C ATOM 85 OG SER A 9 5.933 -14.302 -1.781 1.00 0.00 O ATOM 0 H SER A 9 4.251 -15.255 -3.239 1.00 0.00 H new ATOM 0 HA SER A 9 2.842 -15.168 -0.820 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.111 -14.486 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.112 -15.951 -0.864 1.00 0.00 H new ATOM 0 HG SER A 9 5.693 -13.371 -1.971 1.00 0.00 H new ATOM 91 N THR A 10 3.402 -12.651 0.098 1.00 0.00 N ATOM 92 CA THR A 10 3.131 -11.267 0.464 1.00 0.00 C ATOM 93 C THR A 10 4.017 -10.821 1.621 1.00 0.00 C ATOM 94 O THR A 10 4.367 -11.618 2.492 1.00 0.00 O ATOM 95 CB THR A 10 1.655 -11.068 0.855 1.00 0.00 C ATOM 96 OG1 THR A 10 1.388 -9.678 1.070 1.00 0.00 O ATOM 97 CG2 THR A 10 1.318 -11.854 2.113 1.00 0.00 C ATOM 0 H THR A 10 3.730 -13.234 0.868 1.00 0.00 H new ATOM 0 HA THR A 10 3.351 -10.659 -0.413 1.00 0.00 H new ATOM 0 HB THR A 10 1.033 -11.435 0.038 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.591 -9.416 0.564 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.270 -11.698 2.370 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.494 -12.915 1.937 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.948 -11.513 2.935 1.00 0.00 H new ATOM 105 N VAL A 11 4.376 -9.541 1.627 1.00 0.00 N ATOM 106 CA VAL A 11 5.220 -8.988 2.679 1.00 0.00 C ATOM 107 C VAL A 11 4.676 -9.338 4.060 1.00 0.00 C ATOM 108 O VAL A 11 3.473 -9.274 4.315 1.00 0.00 O ATOM 109 CB VAL A 11 5.338 -7.457 2.559 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.205 -6.899 3.676 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.895 -7.072 1.197 1.00 0.00 C ATOM 0 H VAL A 11 4.095 -8.867 0.914 1.00 0.00 H new ATOM 0 HA VAL A 11 6.208 -9.431 2.557 1.00 0.00 H new ATOM 0 HB VAL A 11 4.342 -7.024 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.277 -5.816 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.759 -7.144 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.202 -7.336 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.972 -5.987 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.883 -7.515 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.230 -7.438 0.415 1.00 0.00 H new ATOM 121 N PRO A 12 5.581 -9.717 4.974 1.00 0.00 N ATOM 122 CA PRO A 12 5.216 -10.083 6.346 1.00 0.00 C ATOM 123 C PRO A 12 4.749 -8.882 7.162 1.00 0.00 C ATOM 124 O PRO A 12 3.719 -8.939 7.833 1.00 0.00 O ATOM 125 CB PRO A 12 6.517 -10.648 6.921 1.00 0.00 C ATOM 126 CG PRO A 12 7.596 -10.003 6.121 1.00 0.00 C ATOM 127 CD PRO A 12 7.032 -9.816 4.740 1.00 0.00 C ATOM 0 HA PRO A 12 4.383 -10.785 6.372 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.616 -10.414 7.981 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.552 -11.734 6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.886 -9.047 6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.490 -10.627 6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.424 -8.917 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.278 -10.655 4.089 1.00 0.00 H new ATOM 135 N ILE A 13 5.514 -7.797 7.099 1.00 0.00 N ATOM 136 CA ILE A 13 5.177 -6.583 7.832 1.00 0.00 C ATOM 137 C ILE A 13 5.556 -5.338 7.036 1.00 0.00 C ATOM 138 O ILE A 13 6.339 -5.409 6.089 1.00 0.00 O ATOM 139 CB ILE A 13 5.882 -6.537 9.200 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.334 -5.383 10.042 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.386 -6.399 9.017 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.423 -5.627 11.532 1.00 0.00 C ATOM 0 H ILE A 13 6.370 -7.734 6.548 1.00 0.00 H new ATOM 0 HA ILE A 13 4.098 -6.598 7.989 1.00 0.00 H new ATOM 0 HB ILE A 13 5.684 -7.471 9.726 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.882 -4.473 9.798 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.292 -5.210 9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.870 -6.368 9.993 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.763 -7.251 8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.604 -5.479 8.475 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.017 -4.768 12.066 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.851 -6.518 11.790 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.466 -5.771 11.816 1.00 0.00 H new ATOM 154 N MET A 14 4.995 -4.199 7.428 1.00 0.00 N ATOM 155 CA MET A 14 5.276 -2.937 6.752 1.00 0.00 C ATOM 156 C MET A 14 6.109 -2.019 7.641 1.00 0.00 C ATOM 157 O MET A 14 5.939 -1.996 8.860 1.00 0.00 O ATOM 158 CB MET A 14 3.971 -2.242 6.362 1.00 0.00 C ATOM 159 CG MET A 14 3.445 -2.657 4.997 1.00 0.00 C ATOM 160 SD MET A 14 4.136 -1.668 3.657 1.00 0.00 S ATOM 161 CE MET A 14 2.659 -0.875 3.025 1.00 0.00 C ATOM 0 H MET A 14 4.344 -4.123 8.209 1.00 0.00 H new ATOM 0 HA MET A 14 5.847 -3.155 5.849 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.214 -2.460 7.115 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.127 -1.163 6.369 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.679 -3.708 4.826 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.359 -2.567 4.988 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.909 -0.298 2.135 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.919 -1.634 2.770 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.249 -0.210 3.785 1.00 0.00 H new ATOM 171 N HIS A 15 7.011 -1.264 7.022 1.00 0.00 N ATOM 172 CA HIS A 15 7.871 -0.343 7.757 1.00 0.00 C ATOM 173 C HIS A 15 7.819 1.054 7.146 1.00 0.00 C ATOM 174 O HIS A 15 8.094 1.232 5.960 1.00 0.00 O ATOM 175 CB HIS A 15 9.312 -0.855 7.767 1.00 0.00 C ATOM 176 CG HIS A 15 9.495 -2.111 8.562 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.307 -2.172 9.927 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.851 -3.359 8.177 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.541 -3.403 10.347 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.872 -4.143 9.304 1.00 0.00 N ATOM 0 H HIS A 15 7.165 -1.272 6.014 1.00 0.00 H new ATOM 0 HA HIS A 15 7.507 -0.285 8.783 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.632 -1.034 6.741 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.962 -0.080 8.173 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.077 -3.679 7.170 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.473 -3.746 11.369 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.105 -5.136 9.331 1.00 0.00 H new ATOM 189 N GLN A 16 7.466 2.040 7.964 1.00 0.00 N ATOM 190 CA GLN A 16 7.377 3.420 7.503 1.00 0.00 C ATOM 191 C GLN A 16 8.719 4.130 7.648 1.00 0.00 C ATOM 192 O GLN A 16 9.406 3.981 8.659 1.00 0.00 O ATOM 193 CB GLN A 16 6.301 4.174 8.287 1.00 0.00 C ATOM 194 CG GLN A 16 5.719 5.360 7.534 1.00 0.00 C ATOM 195 CD GLN A 16 5.167 6.425 8.461 1.00 0.00 C ATOM 196 OE1 GLN A 16 4.511 6.119 9.457 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.432 7.686 8.138 1.00 0.00 N ATOM 0 H GLN A 16 7.237 1.909 8.949 1.00 0.00 H new ATOM 0 HA GLN A 16 7.105 3.407 6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.496 3.484 8.539 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.727 4.524 9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.491 5.799 6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.925 5.012 6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.980 7.894 7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.088 8.446 8.725 1.00 0.00 H new ATOM 206 N VAL A 17 9.088 4.902 6.631 1.00 0.00 N ATOM 207 CA VAL A 17 10.348 5.636 6.645 1.00 0.00 C ATOM 208 C VAL A 17 10.116 7.120 6.903 1.00 0.00 C ATOM 209 O VAL A 17 10.823 7.740 7.698 1.00 0.00 O ATOM 210 CB VAL A 17 11.109 5.470 5.316 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.502 6.072 5.420 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.182 4.001 4.925 1.00 0.00 C ATOM 0 H VAL A 17 8.532 5.035 5.786 1.00 0.00 H new ATOM 0 HA VAL A 17 10.949 5.219 7.453 1.00 0.00 H new ATOM 0 HB VAL A 17 10.566 6.004 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.025 5.945 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.423 7.134 5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.058 5.568 6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.723 3.901 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.702 3.443 5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.173 3.605 4.807 1.00 0.00 H new ATOM 222 N SER A 18 9.121 7.685 6.226 1.00 0.00 N ATOM 223 CA SER A 18 8.798 9.099 6.379 1.00 0.00 C ATOM 224 C SER A 18 7.352 9.372 5.975 1.00 0.00 C ATOM 225 O SER A 18 6.636 8.470 5.543 1.00 0.00 O ATOM 226 CB SER A 18 9.746 9.955 5.537 1.00 0.00 C ATOM 227 OG SER A 18 9.786 9.500 4.195 1.00 0.00 O ATOM 0 H SER A 18 8.525 7.185 5.566 1.00 0.00 H new ATOM 0 HA SER A 18 8.920 9.363 7.430 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.422 10.995 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.748 9.923 5.965 1.00 0.00 H new ATOM 0 HG SER A 18 10.397 10.064 3.676 1.00 0.00 H new ATOM 233 N ALA A 19 6.931 10.625 6.119 1.00 0.00 N ATOM 234 CA ALA A 19 5.573 11.019 5.767 1.00 0.00 C ATOM 235 C ALA A 19 5.480 12.523 5.536 1.00 0.00 C ATOM 236 O ALA A 19 6.400 13.272 5.870 1.00 0.00 O ATOM 237 CB ALA A 19 4.600 10.590 6.856 1.00 0.00 C ATOM 0 H ALA A 19 7.511 11.384 6.477 1.00 0.00 H new ATOM 0 HA ALA A 19 5.305 10.518 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.589 10.891 6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.638 9.507 6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.875 11.065 7.798 1.00 0.00 H new ATOM 243 N THR A 20 4.365 12.962 4.961 1.00 0.00 N ATOM 244 CA THR A 20 4.153 14.376 4.683 1.00 0.00 C ATOM 245 C THR A 20 2.786 14.835 5.177 1.00 0.00 C ATOM 246 O THR A 20 2.059 14.074 5.815 1.00 0.00 O ATOM 247 CB THR A 20 4.268 14.676 3.176 1.00 0.00 C ATOM 248 OG1 THR A 20 3.865 13.532 2.417 1.00 0.00 O ATOM 249 CG2 THR A 20 5.694 15.058 2.809 1.00 0.00 C ATOM 0 H THR A 20 3.594 12.357 4.679 1.00 0.00 H new ATOM 0 HA THR A 20 4.931 14.922 5.216 1.00 0.00 H new ATOM 0 HB THR A 20 3.612 15.515 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.624 13.204 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.752 15.265 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.988 15.947 3.367 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.366 14.236 3.056 1.00 0.00 H new ATOM 257 N MET A 21 2.442 16.084 4.879 1.00 0.00 N ATOM 258 CA MET A 21 1.161 16.643 5.292 1.00 0.00 C ATOM 259 C MET A 21 0.071 16.316 4.276 1.00 0.00 C ATOM 260 O MET A 21 -1.114 16.296 4.607 1.00 0.00 O ATOM 261 CB MET A 21 1.273 18.159 5.466 1.00 0.00 C ATOM 262 CG MET A 21 1.784 18.577 6.835 1.00 0.00 C ATOM 263 SD MET A 21 1.591 20.344 7.139 1.00 0.00 S ATOM 264 CE MET A 21 -0.193 20.484 7.204 1.00 0.00 C ATOM 0 H MET A 21 3.033 16.728 4.353 1.00 0.00 H new ATOM 0 HA MET A 21 0.889 16.194 6.247 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.941 18.556 4.701 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.294 18.609 5.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.249 18.020 7.604 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.837 18.310 6.922 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.469 21.508 7.457 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.614 20.224 6.233 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.584 19.805 7.962 1.00 0.00 H new ATOM 274 N ARG A 22 0.481 16.060 3.037 1.00 0.00 N ATOM 275 CA ARG A 22 -0.460 15.736 1.973 1.00 0.00 C ATOM 276 C ARG A 22 -0.142 14.374 1.362 1.00 0.00 C ATOM 277 O ARG A 22 -0.766 13.959 0.385 1.00 0.00 O ATOM 278 CB ARG A 22 -0.427 16.813 0.887 1.00 0.00 C ATOM 279 CG ARG A 22 -0.937 18.166 1.356 1.00 0.00 C ATOM 280 CD ARG A 22 -0.945 19.181 0.224 1.00 0.00 C ATOM 281 NE ARG A 22 -1.929 20.238 0.443 1.00 0.00 N ATOM 282 CZ ARG A 22 -2.110 21.257 -0.388 1.00 0.00 C ATOM 283 NH1 ARG A 22 -1.378 21.358 -1.489 1.00 0.00 N ATOM 284 NH2 ARG A 22 -3.026 22.179 -0.120 1.00 0.00 N ATOM 0 H ARG A 22 1.459 16.071 2.747 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.459 15.697 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.596 16.924 0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.027 16.481 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.945 18.057 1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.309 18.531 2.169 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.046 19.623 0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.161 18.674 -0.716 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.509 20.190 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.673 20.651 -1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.520 22.142 -2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.592 22.105 0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.164 22.962 -0.759 1.00 0.00 H new ATOM 298 N SER A 23 0.833 13.683 1.945 1.00 0.00 N ATOM 299 CA SER A 23 1.237 12.370 1.456 1.00 0.00 C ATOM 300 C SER A 23 1.988 11.596 2.535 1.00 0.00 C ATOM 301 O SER A 23 2.260 12.121 3.615 1.00 0.00 O ATOM 302 CB SER A 23 2.115 12.514 0.211 1.00 0.00 C ATOM 303 OG SER A 23 1.776 13.679 -0.520 1.00 0.00 O ATOM 0 H SER A 23 1.357 14.011 2.756 1.00 0.00 H new ATOM 0 HA SER A 23 0.337 11.814 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.164 12.558 0.505 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.998 11.636 -0.424 1.00 0.00 H new ATOM 0 HG SER A 23 2.449 13.836 -1.215 1.00 0.00 H new ATOM 309 N ILE A 24 2.320 10.345 2.234 1.00 0.00 N ATOM 310 CA ILE A 24 3.040 9.499 3.177 1.00 0.00 C ATOM 311 C ILE A 24 3.923 8.491 2.448 1.00 0.00 C ATOM 312 O ILE A 24 3.540 7.948 1.412 1.00 0.00 O ATOM 313 CB ILE A 24 2.073 8.740 4.105 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.987 9.682 4.627 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.834 8.108 5.261 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.133 8.971 5.353 1.00 0.00 C ATOM 0 H ILE A 24 2.102 9.895 1.345 1.00 0.00 H new ATOM 0 HA ILE A 24 3.665 10.159 3.779 1.00 0.00 H new ATOM 0 HB ILE A 24 1.594 7.945 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.441 10.409 5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.569 10.241 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.137 7.575 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.573 7.409 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.338 8.887 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.866 9.701 5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.613 8.264 4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.272 8.435 6.211 1.00 0.00 H new ATOM 328 N THR A 25 5.108 8.244 2.999 1.00 0.00 N ATOM 329 CA THR A 25 6.046 7.302 2.402 1.00 0.00 C ATOM 330 C THR A 25 6.036 5.971 3.145 1.00 0.00 C ATOM 331 O THR A 25 6.006 5.936 4.376 1.00 0.00 O ATOM 332 CB THR A 25 7.480 7.864 2.397 1.00 0.00 C ATOM 333 OG1 THR A 25 7.488 9.183 1.840 1.00 0.00 O ATOM 334 CG2 THR A 25 8.411 6.965 1.598 1.00 0.00 C ATOM 0 H THR A 25 5.440 8.683 3.857 1.00 0.00 H new ATOM 0 HA THR A 25 5.723 7.143 1.373 1.00 0.00 H new ATOM 0 HB THR A 25 7.834 7.903 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.403 9.533 1.842 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.418 7.382 1.609 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.426 5.970 2.043 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.057 6.898 0.569 1.00 0.00 H new ATOM 342 N LEU A 26 6.062 4.878 2.391 1.00 0.00 N ATOM 343 CA LEU A 26 6.056 3.543 2.979 1.00 0.00 C ATOM 344 C LEU A 26 7.088 2.646 2.303 1.00 0.00 C ATOM 345 O LEU A 26 7.517 2.913 1.180 1.00 0.00 O ATOM 346 CB LEU A 26 4.665 2.918 2.862 1.00 0.00 C ATOM 347 CG LEU A 26 3.508 3.748 3.418 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.173 3.118 3.049 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.632 3.892 4.928 1.00 0.00 C ATOM 0 H LEU A 26 6.087 4.890 1.371 1.00 0.00 H new ATOM 0 HA LEU A 26 6.317 3.636 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.467 2.715 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.676 1.957 3.376 1.00 0.00 H new ATOM 0 HG LEU A 26 3.553 4.742 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.361 3.723 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.082 3.067 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.118 2.112 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.800 4.486 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.613 2.905 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.572 4.388 5.170 1.00 0.00 H new ATOM 361 N SER A 27 7.480 1.579 2.992 1.00 0.00 N ATOM 362 CA SER A 27 8.463 0.643 2.459 1.00 0.00 C ATOM 363 C SER A 27 8.211 -0.767 2.984 1.00 0.00 C ATOM 364 O SER A 27 7.810 -0.951 4.133 1.00 0.00 O ATOM 365 CB SER A 27 9.878 1.091 2.827 1.00 0.00 C ATOM 366 OG SER A 27 10.845 0.168 2.355 1.00 0.00 O ATOM 0 H SER A 27 7.132 1.341 3.921 1.00 0.00 H new ATOM 0 HA SER A 27 8.365 0.631 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.073 2.076 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.962 1.189 3.909 1.00 0.00 H new ATOM 0 HG SER A 27 11.741 0.478 2.602 1.00 0.00 H new ATOM 372 N TRP A 28 8.448 -1.759 2.134 1.00 0.00 N ATOM 373 CA TRP A 28 8.246 -3.154 2.511 1.00 0.00 C ATOM 374 C TRP A 28 9.332 -4.042 1.913 1.00 0.00 C ATOM 375 O TRP A 28 9.795 -3.827 0.793 1.00 0.00 O ATOM 376 CB TRP A 28 6.868 -3.634 2.053 1.00 0.00 C ATOM 377 CG TRP A 28 6.630 -3.442 0.586 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.866 -4.349 -0.408 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.111 -2.270 -0.052 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.525 -3.811 -1.626 1.00 0.00 N ATOM 381 CE2 TRP A 28 6.058 -2.537 -1.435 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.683 -1.023 0.409 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.597 -1.602 -2.356 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.225 -0.095 -0.507 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.184 -0.388 -1.877 1.00 0.00 C ATOM 0 H TRP A 28 8.780 -1.624 1.179 1.00 0.00 H new ATOM 0 HA TRP A 28 8.304 -3.223 3.597 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.760 -4.691 2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.100 -3.098 2.612 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.262 -5.343 -0.259 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.606 -4.284 -2.526 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.709 -0.788 1.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.566 -1.826 -3.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.893 0.873 -0.161 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.820 0.358 -2.568 1.00 0.00 H new ATOM 396 N PRO A 29 9.749 -5.063 2.676 1.00 0.00 N ATOM 397 CA PRO A 29 10.785 -6.005 2.240 1.00 0.00 C ATOM 398 C PRO A 29 10.306 -6.913 1.113 1.00 0.00 C ATOM 399 O PRO A 29 9.106 -7.120 0.939 1.00 0.00 O ATOM 400 CB PRO A 29 11.073 -6.823 3.501 1.00 0.00 C ATOM 401 CG PRO A 29 9.820 -6.737 4.303 1.00 0.00 C ATOM 402 CD PRO A 29 9.241 -5.378 4.022 1.00 0.00 C ATOM 0 HA PRO A 29 11.659 -5.493 1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.316 -7.857 3.255 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.923 -6.418 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.121 -7.525 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.028 -6.861 5.366 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.151 -5.392 4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.567 -4.642 4.757 1.00 0.00 H new ATOM 410 N GLN A 30 11.252 -7.453 0.352 1.00 0.00 N ATOM 411 CA GLN A 30 10.925 -8.340 -0.758 1.00 0.00 C ATOM 412 C GLN A 30 10.667 -9.759 -0.264 1.00 0.00 C ATOM 413 O GLN A 30 11.414 -10.305 0.548 1.00 0.00 O ATOM 414 CB GLN A 30 12.058 -8.343 -1.786 1.00 0.00 C ATOM 415 CG GLN A 30 11.628 -8.820 -3.164 1.00 0.00 C ATOM 416 CD GLN A 30 12.803 -9.054 -4.094 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.875 -8.476 -3.915 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.606 -9.905 -5.094 1.00 0.00 N ATOM 0 H GLN A 30 12.251 -7.292 0.484 1.00 0.00 H new ATOM 0 HA GLN A 30 10.015 -7.969 -1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.464 -7.335 -1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.864 -8.982 -1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.060 -9.745 -3.063 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.960 -8.082 -3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.701 -10.362 -5.204 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.360 -10.102 -5.752 1.00 0.00 H new ATOM 427 N PRO A 31 9.583 -10.372 -0.764 1.00 0.00 N ATOM 428 CA PRO A 31 9.201 -11.736 -0.387 1.00 0.00 C ATOM 429 C PRO A 31 10.167 -12.781 -0.935 1.00 0.00 C ATOM 430 O PRO A 31 11.051 -12.465 -1.730 1.00 0.00 O ATOM 431 CB PRO A 31 7.817 -11.904 -1.017 1.00 0.00 C ATOM 432 CG PRO A 31 7.804 -10.950 -2.161 1.00 0.00 C ATOM 433 CD PRO A 31 8.649 -9.781 -1.736 1.00 0.00 C ATOM 0 HA PRO A 31 9.212 -11.878 0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.657 -12.928 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.026 -11.676 -0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.206 -11.415 -3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.787 -10.633 -2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.176 -9.337 -2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.046 -8.992 -1.286 1.00 0.00 H new ATOM 441 N GLU A 32 9.990 -14.027 -0.506 1.00 0.00 N ATOM 442 CA GLU A 32 10.847 -15.118 -0.955 1.00 0.00 C ATOM 443 C GLU A 32 10.036 -16.177 -1.697 1.00 0.00 C ATOM 444 O GLU A 32 10.596 -17.053 -2.355 1.00 0.00 O ATOM 445 CB GLU A 32 11.568 -15.753 0.236 1.00 0.00 C ATOM 446 CG GLU A 32 12.628 -14.856 0.855 1.00 0.00 C ATOM 447 CD GLU A 32 13.024 -15.299 2.250 1.00 0.00 C ATOM 448 OE1 GLU A 32 13.401 -16.478 2.414 1.00 0.00 O ATOM 449 OE2 GLU A 32 12.956 -14.466 3.178 1.00 0.00 O ATOM 0 H GLU A 32 9.262 -14.306 0.151 1.00 0.00 H new ATOM 0 HA GLU A 32 11.587 -14.706 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.833 -16.013 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.035 -16.684 -0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.511 -14.849 0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.255 -13.833 0.895 1.00 0.00 H new ATOM 456 N GLN A 33 8.715 -16.088 -1.583 1.00 0.00 N ATOM 457 CA GLN A 33 7.827 -17.039 -2.242 1.00 0.00 C ATOM 458 C GLN A 33 6.848 -16.321 -3.164 1.00 0.00 C ATOM 459 O GLN A 33 5.639 -16.555 -3.129 1.00 0.00 O ATOM 460 CB GLN A 33 7.060 -17.858 -1.202 1.00 0.00 C ATOM 461 CG GLN A 33 7.880 -18.981 -0.587 1.00 0.00 C ATOM 462 CD GLN A 33 8.463 -19.915 -1.629 1.00 0.00 C ATOM 463 OE1 GLN A 33 8.058 -19.897 -2.792 1.00 0.00 O ATOM 464 NE2 GLN A 33 9.419 -20.739 -1.217 1.00 0.00 N ATOM 0 H GLN A 33 8.236 -15.368 -1.041 1.00 0.00 H new ATOM 0 HA GLN A 33 8.438 -17.711 -2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.717 -17.193 -0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.171 -18.282 -1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.689 -18.553 0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.252 -19.552 0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.724 -20.720 -0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.848 -21.391 -1.874 1.00 0.00 H new ATOM 473 N PRO A 34 7.378 -15.425 -4.009 1.00 0.00 N ATOM 474 CA PRO A 34 6.568 -14.654 -4.957 1.00 0.00 C ATOM 475 C PRO A 34 6.003 -15.521 -6.076 1.00 0.00 C ATOM 476 O PRO A 34 5.332 -15.025 -6.980 1.00 0.00 O ATOM 477 CB PRO A 34 7.558 -13.631 -5.520 1.00 0.00 C ATOM 478 CG PRO A 34 8.894 -14.269 -5.358 1.00 0.00 C ATOM 479 CD PRO A 34 8.810 -15.095 -4.105 1.00 0.00 C ATOM 0 HA PRO A 34 5.697 -14.206 -4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.348 -13.412 -6.567 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.502 -12.686 -4.979 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.136 -14.891 -6.220 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.678 -13.517 -5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.425 -15.992 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.153 -14.538 -3.233 1.00 0.00 H new ATOM 487 N ASN A 35 6.280 -16.819 -6.010 1.00 0.00 N ATOM 488 CA ASN A 35 5.800 -17.756 -7.019 1.00 0.00 C ATOM 489 C ASN A 35 6.077 -17.232 -8.424 1.00 0.00 C ATOM 490 O ASN A 35 5.365 -17.559 -9.372 1.00 0.00 O ATOM 491 CB ASN A 35 4.300 -18.004 -6.842 1.00 0.00 C ATOM 492 CG ASN A 35 3.993 -18.831 -5.609 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.465 -19.939 -5.707 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.322 -18.295 -4.439 1.00 0.00 N ATOM 0 H ASN A 35 6.835 -17.246 -5.268 1.00 0.00 H new ATOM 0 HA ASN A 35 6.335 -18.697 -6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.782 -17.047 -6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.912 -18.514 -7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.139 -18.805 -3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.758 -17.374 -4.405 1.00 0.00 H new ATOM 501 N GLY A 36 7.120 -16.416 -8.551 1.00 0.00 N ATOM 502 CA GLY A 36 7.474 -15.860 -9.843 1.00 0.00 C ATOM 503 C GLY A 36 7.999 -14.441 -9.740 1.00 0.00 C ATOM 504 O GLY A 36 7.726 -13.741 -8.765 1.00 0.00 O ATOM 0 H GLY A 36 7.726 -16.131 -7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.230 -16.490 -10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.599 -15.874 -10.493 1.00 0.00 H new ATOM 508 N ILE A 37 8.756 -14.018 -10.746 1.00 0.00 N ATOM 509 CA ILE A 37 9.321 -12.674 -10.764 1.00 0.00 C ATOM 510 C ILE A 37 8.228 -11.617 -10.655 1.00 0.00 C ATOM 511 O ILE A 37 7.480 -11.383 -11.605 1.00 0.00 O ATOM 512 CB ILE A 37 10.137 -12.423 -12.045 1.00 0.00 C ATOM 513 CG1 ILE A 37 11.327 -13.382 -12.115 1.00 0.00 C ATOM 514 CG2 ILE A 37 10.610 -10.978 -12.097 1.00 0.00 C ATOM 515 CD1 ILE A 37 11.770 -13.694 -13.527 1.00 0.00 C ATOM 0 H ILE A 37 8.993 -14.586 -11.559 1.00 0.00 H new ATOM 0 HA ILE A 37 9.983 -12.599 -9.901 1.00 0.00 H new ATOM 0 HB ILE A 37 9.496 -12.606 -12.908 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.164 -12.949 -11.567 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.064 -14.312 -11.612 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.185 -10.816 -13.008 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.747 -10.312 -12.090 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.237 -10.769 -11.230 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.617 -14.379 -13.499 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.947 -14.156 -14.073 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.065 -12.772 -14.028 1.00 0.00 H new ATOM 527 N ILE A 38 8.142 -10.980 -9.492 1.00 0.00 N ATOM 528 CA ILE A 38 7.142 -9.945 -9.260 1.00 0.00 C ATOM 529 C ILE A 38 7.312 -8.787 -10.238 1.00 0.00 C ATOM 530 O ILE A 38 8.400 -8.223 -10.366 1.00 0.00 O ATOM 531 CB ILE A 38 7.216 -9.402 -7.821 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.118 -10.550 -6.814 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.112 -8.383 -7.581 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.246 -10.103 -5.374 1.00 0.00 C ATOM 0 H ILE A 38 8.753 -11.162 -8.696 1.00 0.00 H new ATOM 0 HA ILE A 38 6.167 -10.408 -9.415 1.00 0.00 H new ATOM 0 HB ILE A 38 8.177 -8.905 -7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.162 -11.057 -6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.898 -11.280 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.178 -8.009 -6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.224 -7.554 -8.279 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.141 -8.856 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.167 -10.968 -4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.213 -9.622 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.450 -9.396 -5.140 1.00 0.00 H new ATOM 546 N LEU A 39 6.230 -8.436 -10.924 1.00 0.00 N ATOM 547 CA LEU A 39 6.259 -7.342 -11.890 1.00 0.00 C ATOM 548 C LEU A 39 6.101 -5.995 -11.192 1.00 0.00 C ATOM 549 O LEU A 39 6.903 -5.083 -11.394 1.00 0.00 O ATOM 550 CB LEU A 39 5.151 -7.525 -12.929 1.00 0.00 C ATOM 551 CG LEU A 39 5.014 -8.926 -13.526 1.00 0.00 C ATOM 552 CD1 LEU A 39 3.572 -9.199 -13.923 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.939 -9.088 -14.724 1.00 0.00 C ATOM 0 H LEU A 39 5.322 -8.892 -10.830 1.00 0.00 H new ATOM 0 HA LEU A 39 7.226 -7.358 -12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.201 -7.254 -12.469 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.324 -6.821 -13.743 1.00 0.00 H new ATOM 0 HG LEU A 39 5.304 -9.653 -12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.494 -10.201 -14.346 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.932 -9.126 -13.043 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.254 -8.466 -14.665 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.828 -10.091 -15.136 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.680 -8.352 -15.485 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.972 -8.937 -14.409 1.00 0.00 H new ATOM 565 N ASP A 40 5.064 -5.879 -10.371 1.00 0.00 N ATOM 566 CA ASP A 40 4.802 -4.644 -9.640 1.00 0.00 C ATOM 567 C ASP A 40 4.084 -4.932 -8.325 1.00 0.00 C ATOM 568 O ASP A 40 3.747 -6.079 -8.029 1.00 0.00 O ATOM 569 CB ASP A 40 3.966 -3.689 -10.493 1.00 0.00 C ATOM 570 CG ASP A 40 3.927 -2.285 -9.922 1.00 0.00 C ATOM 571 OD1 ASP A 40 3.104 -2.035 -9.016 1.00 0.00 O ATOM 572 OD2 ASP A 40 4.721 -1.437 -10.379 1.00 0.00 O ATOM 0 H ASP A 40 4.391 -6.625 -10.194 1.00 0.00 H new ATOM 0 HA ASP A 40 5.760 -4.174 -9.415 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.375 -3.656 -11.503 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.949 -4.074 -10.573 1.00 0.00 H new ATOM 577 N TYR A 41 3.854 -3.885 -7.541 1.00 0.00 N ATOM 578 CA TYR A 41 3.180 -4.026 -6.256 1.00 0.00 C ATOM 579 C TYR A 41 1.985 -3.082 -6.161 1.00 0.00 C ATOM 580 O TYR A 41 2.109 -1.882 -6.402 1.00 0.00 O ATOM 581 CB TYR A 41 4.155 -3.749 -5.111 1.00 0.00 C ATOM 582 CG TYR A 41 5.352 -4.674 -5.097 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.510 -4.353 -5.795 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.324 -5.868 -4.388 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.605 -5.195 -5.786 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.415 -6.715 -4.373 1.00 0.00 C ATOM 587 CZ TYR A 41 7.553 -6.374 -5.073 1.00 0.00 C ATOM 588 OH TYR A 41 8.641 -7.216 -5.061 1.00 0.00 O ATOM 0 H TYR A 41 4.124 -2.929 -7.773 1.00 0.00 H new ATOM 0 HA TYR A 41 2.818 -5.051 -6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.503 -2.719 -5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.625 -3.841 -4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.555 -3.430 -6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.434 -6.139 -3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.497 -4.931 -6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.377 -7.639 -3.816 1.00 0.00 H new ATOM 0 HH TYR A 41 9.403 -6.760 -4.646 1.00 0.00 H new ATOM 598 N GLU A 42 0.829 -3.634 -5.808 1.00 0.00 N ATOM 599 CA GLU A 42 -0.388 -2.842 -5.681 1.00 0.00 C ATOM 600 C GLU A 42 -0.566 -2.343 -4.250 1.00 0.00 C ATOM 601 O GLU A 42 -0.311 -3.072 -3.291 1.00 0.00 O ATOM 602 CB GLU A 42 -1.607 -3.667 -6.100 1.00 0.00 C ATOM 603 CG GLU A 42 -2.733 -2.834 -6.689 1.00 0.00 C ATOM 604 CD GLU A 42 -2.596 -2.644 -8.187 1.00 0.00 C ATOM 605 OE1 GLU A 42 -1.463 -2.762 -8.700 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.622 -2.378 -8.847 1.00 0.00 O ATOM 0 H GLU A 42 0.710 -4.626 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.299 -1.979 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.296 -4.412 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.983 -4.210 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.687 -3.315 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.751 -1.859 -6.203 1.00 0.00 H new ATOM 613 N ILE A 43 -1.005 -1.096 -4.114 1.00 0.00 N ATOM 614 CA ILE A 43 -1.217 -0.500 -2.801 1.00 0.00 C ATOM 615 C ILE A 43 -2.613 0.106 -2.692 1.00 0.00 C ATOM 616 O ILE A 43 -3.078 0.786 -3.606 1.00 0.00 O ATOM 617 CB ILE A 43 -0.172 0.591 -2.502 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.204 -0.040 -2.274 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.593 1.410 -1.291 1.00 0.00 C ATOM 620 CD1 ILE A 43 1.953 -0.334 -3.554 1.00 0.00 C ATOM 0 H ILE A 43 -1.221 -0.479 -4.897 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.112 -1.302 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.107 1.258 -3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.804 0.629 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.081 -0.967 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.156 2.177 -1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.554 1.884 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.682 0.757 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.919 -0.780 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.374 -1.027 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.107 0.593 -4.106 1.00 0.00 H new ATOM 632 N ARG A 44 -3.274 -0.146 -1.567 1.00 0.00 N ATOM 633 CA ARG A 44 -4.616 0.375 -1.337 1.00 0.00 C ATOM 634 C ARG A 44 -4.666 1.206 -0.058 1.00 0.00 C ATOM 635 O ARG A 44 -4.277 0.738 1.013 1.00 0.00 O ATOM 636 CB ARG A 44 -5.624 -0.772 -1.252 1.00 0.00 C ATOM 637 CG ARG A 44 -7.035 -0.320 -0.913 1.00 0.00 C ATOM 638 CD ARG A 44 -8.078 -1.253 -1.510 1.00 0.00 C ATOM 639 NE ARG A 44 -8.147 -2.525 -0.795 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.936 -3.530 -1.158 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.718 -3.411 -2.222 1.00 0.00 N ATOM 642 NH2 ARG A 44 -8.943 -4.656 -0.457 1.00 0.00 N ATOM 0 H ARG A 44 -2.902 -0.708 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.877 1.018 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.640 -1.301 -2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.289 -1.484 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.156 -0.283 0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.194 0.692 -1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.054 -0.769 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.841 -1.438 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.557 -2.648 0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.714 -2.547 -2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.323 -4.184 -2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.342 -4.751 0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.549 -5.427 -0.737 1.00 0.00 H new ATOM 656 N TYR A 45 -5.146 2.438 -0.177 1.00 0.00 N ATOM 657 CA TYR A 45 -5.243 3.335 0.969 1.00 0.00 C ATOM 658 C TYR A 45 -6.655 3.898 1.101 1.00 0.00 C ATOM 659 O TYR A 45 -7.258 4.329 0.118 1.00 0.00 O ATOM 660 CB TYR A 45 -4.236 4.478 0.836 1.00 0.00 C ATOM 661 CG TYR A 45 -4.434 5.318 -0.406 1.00 0.00 C ATOM 662 CD1 TYR A 45 -4.056 4.844 -1.656 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.998 6.585 -0.329 1.00 0.00 C ATOM 664 CE1 TYR A 45 -4.235 5.608 -2.794 1.00 0.00 C ATOM 665 CE2 TYR A 45 -5.181 7.355 -1.461 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.798 6.863 -2.691 1.00 0.00 C ATOM 667 OH TYR A 45 -4.978 7.627 -3.821 1.00 0.00 O ATOM 0 H TYR A 45 -5.474 2.839 -1.055 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.014 2.762 1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.309 5.120 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.228 4.064 0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.615 3.862 -1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.299 6.975 0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.936 5.224 -3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.622 8.338 -1.383 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.387 8.483 -3.575 1.00 0.00 H new ATOM 677 N TYR A 46 -7.175 3.892 2.324 1.00 0.00 N ATOM 678 CA TYR A 46 -8.516 4.400 2.586 1.00 0.00 C ATOM 679 C TYR A 46 -8.632 4.918 4.017 1.00 0.00 C ATOM 680 O TYR A 46 -8.066 4.341 4.944 1.00 0.00 O ATOM 681 CB TYR A 46 -9.556 3.305 2.343 1.00 0.00 C ATOM 682 CG TYR A 46 -9.264 2.018 3.080 1.00 0.00 C ATOM 683 CD1 TYR A 46 -9.530 1.897 4.439 1.00 0.00 C ATOM 684 CD2 TYR A 46 -8.723 0.922 2.419 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.264 0.723 5.117 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.455 -0.256 3.088 1.00 0.00 C ATOM 687 CZ TYR A 46 -8.727 -0.351 4.437 1.00 0.00 C ATOM 688 OH TYR A 46 -8.462 -1.522 5.108 1.00 0.00 O ATOM 0 H TYR A 46 -6.688 3.541 3.149 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.703 5.228 1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.536 3.673 2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.610 3.098 1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.952 2.735 4.974 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.508 0.993 1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.475 0.646 6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.035 -1.098 2.558 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.088 -2.179 4.484 1.00 0.00 H new ATOM 698 N GLU A 47 -9.370 6.011 4.185 1.00 0.00 N ATOM 699 CA GLU A 47 -9.560 6.607 5.502 1.00 0.00 C ATOM 700 C GLU A 47 -9.832 5.533 6.552 1.00 0.00 C ATOM 701 O GLU A 47 -10.414 4.490 6.254 1.00 0.00 O ATOM 702 CB GLU A 47 -10.717 7.609 5.471 1.00 0.00 C ATOM 703 CG GLU A 47 -10.403 8.876 4.694 1.00 0.00 C ATOM 704 CD GLU A 47 -10.503 8.681 3.194 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.539 8.162 2.730 1.00 0.00 O ATOM 706 OE2 GLU A 47 -9.543 9.048 2.484 1.00 0.00 O ATOM 0 H GLU A 47 -9.845 6.501 3.427 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.642 7.130 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.591 7.129 5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.983 7.876 6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.090 9.665 5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.398 9.213 4.946 1.00 0.00 H new ATOM 713 N LYS A 48 -9.406 5.796 7.783 1.00 0.00 N ATOM 714 CA LYS A 48 -9.602 4.854 8.878 1.00 0.00 C ATOM 715 C LYS A 48 -11.077 4.754 9.252 1.00 0.00 C ATOM 716 O LYS A 48 -11.481 3.852 9.986 1.00 0.00 O ATOM 717 CB LYS A 48 -8.784 5.282 10.099 1.00 0.00 C ATOM 718 CG LYS A 48 -9.230 4.622 11.392 1.00 0.00 C ATOM 719 CD LYS A 48 -8.131 4.651 12.441 1.00 0.00 C ATOM 720 CE LYS A 48 -7.166 3.488 12.269 1.00 0.00 C ATOM 721 NZ LYS A 48 -6.125 3.468 13.334 1.00 0.00 N ATOM 0 H LYS A 48 -8.923 6.654 8.047 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.262 3.873 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.734 5.046 9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.853 6.364 10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.114 5.132 11.776 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.518 3.590 11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.585 5.592 12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.575 4.613 13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.721 2.550 12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.686 3.556 11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.280 2.974 12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.874 4.444 13.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.494 2.972 14.171 1.00 0.00 H new ATOM 735 N GLU A 49 -11.877 5.684 8.740 1.00 0.00 N ATOM 736 CA GLU A 49 -13.308 5.698 9.020 1.00 0.00 C ATOM 737 C GLU A 49 -14.111 5.356 7.768 1.00 0.00 C ATOM 738 O GLU A 49 -15.311 5.623 7.695 1.00 0.00 O ATOM 739 CB GLU A 49 -13.733 7.068 9.553 1.00 0.00 C ATOM 740 CG GLU A 49 -13.069 7.442 10.868 1.00 0.00 C ATOM 741 CD GLU A 49 -13.866 6.986 12.075 1.00 0.00 C ATOM 742 OE1 GLU A 49 -14.291 5.812 12.096 1.00 0.00 O ATOM 743 OE2 GLU A 49 -14.064 7.804 12.997 1.00 0.00 O ATOM 0 H GLU A 49 -11.559 6.437 8.130 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.511 4.942 9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.497 7.828 8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.815 7.077 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.073 7.000 10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.939 8.523 10.910 1.00 0.00 H new ATOM 750 N HIS A 50 -13.440 4.765 6.785 1.00 0.00 N ATOM 751 CA HIS A 50 -14.090 4.387 5.535 1.00 0.00 C ATOM 752 C HIS A 50 -13.773 2.938 5.175 1.00 0.00 C ATOM 753 O HIS A 50 -12.886 2.322 5.765 1.00 0.00 O ATOM 754 CB HIS A 50 -13.647 5.315 4.404 1.00 0.00 C ATOM 755 CG HIS A 50 -14.339 6.643 4.414 1.00 0.00 C ATOM 756 ND1 HIS A 50 -15.004 7.154 3.319 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.467 7.567 5.394 1.00 0.00 C ATOM 758 CE1 HIS A 50 -15.510 8.335 3.625 1.00 0.00 C ATOM 759 NE2 HIS A 50 -15.199 8.609 4.879 1.00 0.00 N ATOM 0 H HIS A 50 -12.447 4.537 6.830 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.167 4.482 5.671 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.571 5.474 4.476 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.833 4.825 3.449 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.068 7.498 6.395 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -16.081 8.969 2.963 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.460 9.456 5.383 1.00 0.00 H new ATOM 768 N ASN A 51 -14.504 2.402 4.204 1.00 0.00 N ATOM 769 CA ASN A 51 -14.302 1.025 3.766 1.00 0.00 C ATOM 770 C ASN A 51 -13.668 0.983 2.379 1.00 0.00 C ATOM 771 O ASN A 51 -13.524 2.013 1.721 1.00 0.00 O ATOM 772 CB ASN A 51 -15.633 0.271 3.754 1.00 0.00 C ATOM 773 CG ASN A 51 -16.176 0.033 5.150 1.00 0.00 C ATOM 774 OD1 ASN A 51 -15.468 -0.462 6.027 1.00 0.00 O ATOM 775 ND2 ASN A 51 -17.438 0.387 5.361 1.00 0.00 N ATOM 0 H ASN A 51 -15.242 2.899 3.705 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.625 0.542 4.470 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.363 0.837 3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.500 -0.687 3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.859 0.252 6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.987 0.794 4.604 1.00 0.00 H new ATOM 782 N GLU A 52 -13.291 -0.215 1.942 1.00 0.00 N ATOM 783 CA GLU A 52 -12.673 -0.390 0.633 1.00 0.00 C ATOM 784 C GLU A 52 -13.481 0.319 -0.450 1.00 0.00 C ATOM 785 O GLU A 52 -12.923 0.843 -1.414 1.00 0.00 O ATOM 786 CB GLU A 52 -12.547 -1.878 0.299 1.00 0.00 C ATOM 787 CG GLU A 52 -11.337 -2.543 0.934 1.00 0.00 C ATOM 788 CD GLU A 52 -11.495 -4.046 1.056 1.00 0.00 C ATOM 789 OE1 GLU A 52 -12.180 -4.642 0.197 1.00 0.00 O ATOM 790 OE2 GLU A 52 -10.935 -4.627 2.008 1.00 0.00 O ATOM 0 H GLU A 52 -13.403 -1.078 2.475 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.678 0.053 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.449 -2.394 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.490 -1.995 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.451 -2.322 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.171 -2.117 1.924 1.00 0.00 H new ATOM 797 N PHE A 53 -14.799 0.330 -0.284 1.00 0.00 N ATOM 798 CA PHE A 53 -15.686 0.972 -1.248 1.00 0.00 C ATOM 799 C PHE A 53 -15.100 2.298 -1.726 1.00 0.00 C ATOM 800 O PHE A 53 -14.840 2.481 -2.914 1.00 0.00 O ATOM 801 CB PHE A 53 -17.065 1.205 -0.628 1.00 0.00 C ATOM 802 CG PHE A 53 -17.963 0.003 -0.695 1.00 0.00 C ATOM 803 CD1 PHE A 53 -18.525 -0.392 -1.898 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.246 -0.732 0.445 1.00 0.00 C ATOM 805 CE1 PHE A 53 -19.352 -1.498 -1.964 1.00 0.00 C ATOM 806 CE2 PHE A 53 -19.071 -1.839 0.386 1.00 0.00 C ATOM 807 CZ PHE A 53 -19.626 -2.222 -0.820 1.00 0.00 C ATOM 0 H PHE A 53 -15.277 -0.098 0.509 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.789 0.309 -2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.941 1.498 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.548 2.038 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -18.315 0.171 -2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -17.817 -0.436 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -19.783 -1.795 -2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.282 -2.404 1.282 1.00 0.00 H new ATOM 0 HZ PHE A 53 -20.273 -3.086 -0.868 1.00 0.00 H new ATOM 817 N ASN A 54 -14.897 3.219 -0.790 1.00 0.00 N ATOM 818 CA ASN A 54 -14.343 4.529 -1.115 1.00 0.00 C ATOM 819 C ASN A 54 -12.837 4.559 -0.870 1.00 0.00 C ATOM 820 O ASN A 54 -12.354 5.282 0.001 1.00 0.00 O ATOM 821 CB ASN A 54 -15.028 5.616 -0.283 1.00 0.00 C ATOM 822 CG ASN A 54 -16.269 6.165 -0.960 1.00 0.00 C ATOM 823 OD1 ASN A 54 -17.264 5.459 -1.125 1.00 0.00 O ATOM 824 ND2 ASN A 54 -16.215 7.432 -1.355 1.00 0.00 N ATOM 0 H ASN A 54 -15.107 3.083 0.199 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.525 4.721 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.299 5.208 0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.325 6.430 -0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.019 7.857 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.369 7.980 -1.197 1.00 0.00 H new ATOM 831 N SER A 55 -12.101 3.769 -1.645 1.00 0.00 N ATOM 832 CA SER A 55 -10.651 3.702 -1.511 1.00 0.00 C ATOM 833 C SER A 55 -9.970 3.915 -2.860 1.00 0.00 C ATOM 834 O SER A 55 -10.595 3.775 -3.912 1.00 0.00 O ATOM 835 CB SER A 55 -10.233 2.352 -0.924 1.00 0.00 C ATOM 836 OG SER A 55 -10.382 1.314 -1.877 1.00 0.00 O ATOM 0 H SER A 55 -12.485 3.166 -2.373 1.00 0.00 H new ATOM 0 HA SER A 55 -10.337 4.497 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.195 2.401 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.837 2.132 -0.044 1.00 0.00 H new ATOM 0 HG SER A 55 -11.153 0.758 -1.637 1.00 0.00 H new ATOM 842 N SER A 56 -8.686 4.255 -2.820 1.00 0.00 N ATOM 843 CA SER A 56 -7.920 4.492 -4.038 1.00 0.00 C ATOM 844 C SER A 56 -6.679 3.606 -4.080 1.00 0.00 C ATOM 845 O SER A 56 -5.952 3.491 -3.094 1.00 0.00 O ATOM 846 CB SER A 56 -7.514 5.964 -4.133 1.00 0.00 C ATOM 847 OG SER A 56 -8.636 6.786 -4.403 1.00 0.00 O ATOM 0 H SER A 56 -8.154 4.373 -1.958 1.00 0.00 H new ATOM 0 HA SER A 56 -8.552 4.242 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.047 6.277 -3.199 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.770 6.089 -4.920 1.00 0.00 H new ATOM 0 HG SER A 56 -8.350 7.722 -4.457 1.00 0.00 H new ATOM 853 N MET A 57 -6.442 2.983 -5.230 1.00 0.00 N ATOM 854 CA MET A 57 -5.288 2.108 -5.402 1.00 0.00 C ATOM 855 C MET A 57 -4.260 2.741 -6.334 1.00 0.00 C ATOM 856 O MET A 57 -4.595 3.598 -7.152 1.00 0.00 O ATOM 857 CB MET A 57 -5.728 0.751 -5.954 1.00 0.00 C ATOM 858 CG MET A 57 -6.635 -0.024 -5.012 1.00 0.00 C ATOM 859 SD MET A 57 -7.443 -1.420 -5.817 1.00 0.00 S ATOM 860 CE MET A 57 -6.570 -2.794 -5.068 1.00 0.00 C ATOM 0 H MET A 57 -7.034 3.068 -6.056 1.00 0.00 H new ATOM 0 HA MET A 57 -4.825 1.962 -4.426 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.247 0.904 -6.900 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.843 0.151 -6.169 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.050 -0.386 -4.167 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.394 0.648 -4.610 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.671 -3.677 -5.700 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.515 -2.541 -4.963 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.993 -3.001 -4.085 1.00 0.00 H new ATOM 870 N ALA A 58 -3.009 2.313 -6.206 1.00 0.00 N ATOM 871 CA ALA A 58 -1.933 2.837 -7.039 1.00 0.00 C ATOM 872 C ALA A 58 -0.920 1.748 -7.377 1.00 0.00 C ATOM 873 O ALA A 58 -0.928 0.673 -6.777 1.00 0.00 O ATOM 874 CB ALA A 58 -1.246 4.002 -6.342 1.00 0.00 C ATOM 0 H ALA A 58 -2.715 1.605 -5.533 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.370 3.193 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.445 4.383 -6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.971 4.794 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.829 3.664 -5.393 1.00 0.00 H new ATOM 880 N ARG A 59 -0.052 2.033 -8.341 1.00 0.00 N ATOM 881 CA ARG A 59 0.966 1.077 -8.760 1.00 0.00 C ATOM 882 C ARG A 59 2.349 1.510 -8.282 1.00 0.00 C ATOM 883 O ARG A 59 2.585 2.689 -8.019 1.00 0.00 O ATOM 884 CB ARG A 59 0.964 0.932 -10.283 1.00 0.00 C ATOM 885 CG ARG A 59 0.028 -0.154 -10.789 1.00 0.00 C ATOM 886 CD ARG A 59 -0.370 0.085 -12.238 1.00 0.00 C ATOM 887 NE ARG A 59 0.638 -0.411 -13.171 1.00 0.00 N ATOM 888 CZ ARG A 59 0.381 -0.708 -14.440 1.00 0.00 C ATOM 889 NH1 ARG A 59 -0.845 -0.559 -14.924 1.00 0.00 N ATOM 890 NH2 ARG A 59 1.351 -1.154 -15.228 1.00 0.00 N ATOM 0 H ARG A 59 -0.033 2.918 -8.847 1.00 0.00 H new ATOM 0 HA ARG A 59 0.730 0.113 -8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.678 1.884 -10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.977 0.713 -10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.514 -1.126 -10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.865 -0.186 -10.165 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.322 -0.406 -12.438 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.521 1.152 -12.401 1.00 0.00 H new ATOM 0 HE ARG A 59 1.591 -0.536 -12.830 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.593 -0.216 -14.321 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.040 -0.788 -15.899 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.295 -1.269 -14.859 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.152 -1.382 -16.202 1.00 0.00 H new ATOM 904 N SER A 60 3.259 0.548 -8.170 1.00 0.00 N ATOM 905 CA SER A 60 4.617 0.829 -7.720 1.00 0.00 C ATOM 906 C SER A 60 5.608 -0.153 -8.337 1.00 0.00 C ATOM 907 O SER A 60 5.519 -1.361 -8.118 1.00 0.00 O ATOM 908 CB SER A 60 4.695 0.758 -6.193 1.00 0.00 C ATOM 909 OG SER A 60 5.985 1.120 -5.731 1.00 0.00 O ATOM 0 H SER A 60 3.080 -0.433 -8.385 1.00 0.00 H new ATOM 0 HA SER A 60 4.880 1.836 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.949 1.422 -5.756 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.456 -0.252 -5.860 1.00 0.00 H new ATOM 0 HG SER A 60 6.494 0.311 -5.514 1.00 0.00 H new ATOM 915 N GLN A 61 6.552 0.376 -9.109 1.00 0.00 N ATOM 916 CA GLN A 61 7.560 -0.453 -9.759 1.00 0.00 C ATOM 917 C GLN A 61 8.717 -0.749 -8.809 1.00 0.00 C ATOM 918 O GLN A 61 9.828 -1.055 -9.243 1.00 0.00 O ATOM 919 CB GLN A 61 8.084 0.237 -11.019 1.00 0.00 C ATOM 920 CG GLN A 61 7.054 0.331 -12.134 1.00 0.00 C ATOM 921 CD GLN A 61 7.684 0.574 -13.491 1.00 0.00 C ATOM 922 OE1 GLN A 61 7.419 1.587 -14.139 1.00 0.00 O ATOM 923 NE2 GLN A 61 8.525 -0.356 -13.929 1.00 0.00 N ATOM 0 H GLN A 61 6.640 1.374 -9.299 1.00 0.00 H new ATOM 0 HA GLN A 61 7.092 -1.397 -10.038 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.420 1.241 -10.760 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.955 -0.306 -11.385 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.474 -0.591 -12.167 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.356 1.138 -11.912 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.716 -1.180 -13.359 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.980 -0.246 -14.835 1.00 0.00 H new ATOM 932 N THR A 62 8.448 -0.657 -7.510 1.00 0.00 N ATOM 933 CA THR A 62 9.466 -0.913 -6.499 1.00 0.00 C ATOM 934 C THR A 62 8.834 -1.335 -5.178 1.00 0.00 C ATOM 935 O THR A 62 7.612 -1.363 -5.045 1.00 0.00 O ATOM 936 CB THR A 62 10.346 0.329 -6.261 1.00 0.00 C ATOM 937 OG1 THR A 62 11.163 0.134 -5.101 1.00 0.00 O ATOM 938 CG2 THR A 62 9.490 1.573 -6.082 1.00 0.00 C ATOM 0 H THR A 62 7.533 -0.407 -7.134 1.00 0.00 H new ATOM 0 HA THR A 62 10.089 -1.724 -6.876 1.00 0.00 H new ATOM 0 HB THR A 62 10.983 0.469 -7.134 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.721 0.927 -4.957 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.134 2.437 -5.915 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.891 1.734 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.831 1.441 -5.224 1.00 0.00 H new ATOM 946 N ASN A 63 9.676 -1.662 -4.203 1.00 0.00 N ATOM 947 CA ASN A 63 9.199 -2.083 -2.890 1.00 0.00 C ATOM 948 C ASN A 63 8.883 -0.875 -2.013 1.00 0.00 C ATOM 949 O ASN A 63 8.799 -0.987 -0.790 1.00 0.00 O ATOM 950 CB ASN A 63 10.243 -2.966 -2.204 1.00 0.00 C ATOM 951 CG ASN A 63 10.053 -4.437 -2.520 1.00 0.00 C ATOM 952 OD1 ASN A 63 10.389 -4.897 -3.612 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.513 -5.183 -1.563 1.00 0.00 N ATOM 0 H ASN A 63 10.691 -1.644 -4.297 1.00 0.00 H new ATOM 0 HA ASN A 63 8.283 -2.657 -3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.240 -2.656 -2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.187 -2.819 -1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.362 -6.180 -1.718 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.250 -4.759 -0.673 1.00 0.00 H new ATOM 960 N THR A 64 8.708 0.280 -2.647 1.00 0.00 N ATOM 961 CA THR A 64 8.401 1.509 -1.926 1.00 0.00 C ATOM 962 C THR A 64 7.555 2.449 -2.777 1.00 0.00 C ATOM 963 O THR A 64 7.859 2.687 -3.945 1.00 0.00 O ATOM 964 CB THR A 64 9.686 2.242 -1.494 1.00 0.00 C ATOM 965 OG1 THR A 64 9.399 3.137 -0.414 1.00 0.00 O ATOM 966 CG2 THR A 64 10.283 3.019 -2.658 1.00 0.00 C ATOM 0 H THR A 64 8.774 0.390 -3.659 1.00 0.00 H new ATOM 0 HA THR A 64 7.838 1.223 -1.038 1.00 0.00 H new ATOM 0 HB THR A 64 10.411 1.497 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.602 2.827 0.065 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.189 3.528 -2.329 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.527 2.331 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.561 3.755 -3.012 1.00 0.00 H new ATOM 974 N ALA A 65 6.493 2.982 -2.182 1.00 0.00 N ATOM 975 CA ALA A 65 5.604 3.899 -2.885 1.00 0.00 C ATOM 976 C ALA A 65 4.988 4.911 -1.925 1.00 0.00 C ATOM 977 O ALA A 65 4.398 4.540 -0.911 1.00 0.00 O ATOM 978 CB ALA A 65 4.513 3.125 -3.610 1.00 0.00 C ATOM 0 H ALA A 65 6.227 2.795 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 65 6.195 4.447 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.857 3.822 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.967 2.446 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.933 2.551 -2.888 1.00 0.00 H new ATOM 984 N ARG A 66 5.130 6.192 -2.251 1.00 0.00 N ATOM 985 CA ARG A 66 4.590 7.258 -1.416 1.00 0.00 C ATOM 986 C ARG A 66 3.161 7.599 -1.828 1.00 0.00 C ATOM 987 O ARG A 66 2.898 7.918 -2.988 1.00 0.00 O ATOM 988 CB ARG A 66 5.471 8.505 -1.510 1.00 0.00 C ATOM 989 CG ARG A 66 5.084 9.599 -0.528 1.00 0.00 C ATOM 990 CD ARG A 66 6.050 10.772 -0.593 1.00 0.00 C ATOM 991 NE ARG A 66 5.623 11.779 -1.561 1.00 0.00 N ATOM 992 CZ ARG A 66 6.284 12.910 -1.785 1.00 0.00 C ATOM 993 NH1 ARG A 66 7.396 13.175 -1.113 1.00 0.00 N ATOM 994 NH2 ARG A 66 5.833 13.777 -2.682 1.00 0.00 N ATOM 0 H ARG A 66 5.615 6.516 -3.088 1.00 0.00 H new ATOM 0 HA ARG A 66 4.579 6.907 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.508 8.221 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.417 8.902 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.074 9.945 -0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.070 9.193 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.132 11.229 0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.043 10.410 -0.860 1.00 0.00 H new ATOM 0 HE ARG A 66 4.771 11.605 -2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.745 12.510 -0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.902 14.044 -1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.978 13.576 -3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.341 14.645 -2.853 1.00 0.00 H new ATOM 1008 N ILE A 67 2.242 7.529 -0.871 1.00 0.00 N ATOM 1009 CA ILE A 67 0.841 7.832 -1.135 1.00 0.00 C ATOM 1010 C ILE A 67 0.557 9.320 -0.962 1.00 0.00 C ATOM 1011 O ILE A 67 0.784 9.885 0.109 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.092 7.032 -0.206 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.393 5.586 -0.082 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.521 7.074 -0.727 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.231 4.783 -1.354 1.00 0.00 C ATOM 0 H ILE A 67 2.442 7.265 0.094 1.00 0.00 H new ATOM 0 HA ILE A 67 0.646 7.546 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.073 7.488 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.444 5.587 0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.157 5.095 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.168 6.504 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.863 8.108 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.557 6.640 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.595 3.768 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.822 4.750 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.803 5.251 -2.155 1.00 0.00 H new ATOM 1027 N ASP A 68 0.059 9.949 -2.021 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.258 11.372 -1.986 1.00 0.00 C ATOM 1029 C ASP A 68 -1.749 11.601 -2.213 1.00 0.00 C ATOM 1030 O ASP A 68 -2.402 10.845 -2.931 1.00 0.00 O ATOM 1031 CB ASP A 68 0.553 12.123 -3.042 1.00 0.00 C ATOM 1032 CG ASP A 68 2.022 11.750 -3.018 1.00 0.00 C ATOM 1033 OD1 ASP A 68 2.327 10.552 -2.836 1.00 0.00 O ATOM 1034 OD2 ASP A 68 2.867 12.654 -3.183 1.00 0.00 O ATOM 0 H ASP A 68 -0.134 9.496 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 68 0.004 11.754 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.143 11.910 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.451 13.196 -2.879 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.282 12.651 -1.594 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.693 12.960 -1.740 1.00 0.00 C ATOM 1041 C GLY A 69 -4.454 12.827 -0.436 1.00 0.00 C ATOM 1042 O GLY A 69 -5.655 12.553 -0.434 1.00 0.00 O ATOM 0 H GLY A 69 -1.762 13.292 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.802 13.976 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.132 12.294 -2.483 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.755 13.019 0.677 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.372 12.918 1.995 1.00 0.00 C ATOM 1048 C LEU A 70 -4.382 14.271 2.698 1.00 0.00 C ATOM 1049 O LEU A 70 -3.754 15.225 2.238 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.627 11.891 2.851 1.00 0.00 C ATOM 1051 CG LEU A 70 -3.167 10.624 2.130 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -2.100 9.906 2.942 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.348 9.703 1.864 1.00 0.00 C ATOM 0 H LEU A 70 -2.761 13.245 0.693 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.403 12.592 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.753 12.376 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.274 11.600 3.678 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.734 10.911 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.784 9.006 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.243 10.565 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.507 9.631 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.002 8.806 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.811 9.423 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.079 10.219 1.241 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.097 14.347 3.816 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.187 15.583 4.583 1.00 0.00 C ATOM 1067 C ARG A 71 -4.286 15.527 5.813 1.00 0.00 C ATOM 1068 O ARG A 71 -4.004 14.460 6.359 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.634 15.839 5.009 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.563 16.160 3.849 1.00 0.00 C ATOM 1071 CD ARG A 71 -7.511 17.636 3.486 1.00 0.00 C ATOM 1072 NE ARG A 71 -8.499 17.984 2.468 1.00 0.00 N ATOM 1073 CZ ARG A 71 -8.507 19.142 1.817 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -7.584 20.057 2.075 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -9.440 19.385 0.905 1.00 0.00 N ATOM 0 H ARG A 71 -5.622 13.567 4.210 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.852 16.402 3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.011 14.960 5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.654 16.666 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.285 15.561 2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.584 15.885 4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.685 18.235 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.514 17.885 3.124 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.222 17.300 2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.865 19.873 2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.592 20.945 1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.152 18.682 0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.446 20.274 0.406 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.822 16.703 6.261 1.00 0.00 N ATOM 1090 CA PRO A 72 -2.945 16.815 7.431 1.00 0.00 C ATOM 1091 C PRO A 72 -3.673 16.496 8.732 1.00 0.00 C ATOM 1092 O PRO A 72 -4.735 17.050 9.013 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.509 18.282 7.408 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.598 18.990 6.679 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.116 18.015 5.659 1.00 0.00 C ATOM 0 HA PRO A 72 -2.116 16.109 7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.388 18.675 8.418 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.551 18.402 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.390 19.297 7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.223 19.894 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.184 18.146 5.483 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.618 18.137 4.697 1.00 0.00 H new ATOM 1103 N GLY A 73 -3.094 15.598 9.524 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.702 15.221 10.787 1.00 0.00 C ATOM 1105 C GLY A 73 -4.818 14.210 10.614 1.00 0.00 C ATOM 1106 O GLY A 73 -5.912 14.387 11.149 1.00 0.00 O ATOM 0 H GLY A 73 -2.215 15.125 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.938 14.806 11.445 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.095 16.111 11.278 1.00 0.00 H new ATOM 1110 N MET A 74 -4.542 13.149 9.864 1.00 0.00 N ATOM 1111 CA MET A 74 -5.533 12.106 9.622 1.00 0.00 C ATOM 1112 C MET A 74 -4.862 10.745 9.463 1.00 0.00 C ATOM 1113 O MET A 74 -3.797 10.634 8.857 1.00 0.00 O ATOM 1114 CB MET A 74 -6.353 12.432 8.372 1.00 0.00 C ATOM 1115 CG MET A 74 -7.558 13.316 8.649 1.00 0.00 C ATOM 1116 SD MET A 74 -8.679 12.600 9.867 1.00 0.00 S ATOM 1117 CE MET A 74 -9.250 11.148 8.989 1.00 0.00 C ATOM 0 H MET A 74 -3.641 12.988 9.413 1.00 0.00 H new ATOM 0 HA MET A 74 -6.199 12.065 10.484 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.710 12.926 7.644 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.692 11.501 7.917 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.217 14.289 9.003 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.100 13.487 7.719 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.134 10.748 9.485 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.500 11.418 7.963 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.464 10.393 8.984 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.493 9.712 10.013 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.957 8.358 9.932 1.00 0.00 C ATOM 1129 C VAL A 75 -5.474 7.636 8.693 1.00 0.00 C ATOM 1130 O VAL A 75 -6.661 7.701 8.374 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.321 7.535 11.182 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.667 6.163 11.127 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.915 8.278 12.446 1.00 0.00 C ATOM 0 H VAL A 75 -6.375 9.787 10.519 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.873 8.450 9.870 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.402 7.395 11.202 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.935 5.596 12.018 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.012 5.631 10.241 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.584 6.278 11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.180 7.682 13.319 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.839 8.450 12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.435 9.235 12.489 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.575 6.949 7.998 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.939 6.215 6.791 1.00 0.00 C ATOM 1145 C TYR A 76 -4.337 4.814 6.803 1.00 0.00 C ATOM 1146 O TYR A 76 -3.149 4.638 7.075 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.471 6.973 5.548 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.148 8.313 5.365 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.710 9.435 6.057 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.225 8.456 4.498 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.326 10.661 5.893 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.846 9.679 4.327 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.393 10.778 5.027 1.00 0.00 C ATOM 1154 OH TYR A 76 -7.009 11.997 4.860 1.00 0.00 O ATOM 0 H TYR A 76 -3.589 6.885 8.249 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.025 6.124 6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.393 7.125 5.610 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.656 6.359 4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.874 9.348 6.735 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.582 7.597 3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.974 11.523 6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.681 9.774 3.649 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.741 11.908 4.215 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.165 3.818 6.505 1.00 0.00 N ATOM 1165 CA VAL A 77 -4.716 2.431 6.479 1.00 0.00 C ATOM 1166 C VAL A 77 -4.250 2.031 5.084 1.00 0.00 C ATOM 1167 O VAL A 77 -5.052 1.927 4.156 1.00 0.00 O ATOM 1168 CB VAL A 77 -5.832 1.471 6.931 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.275 0.075 7.164 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.514 1.999 8.184 1.00 0.00 C ATOM 0 H VAL A 77 -6.151 3.946 6.278 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.880 2.356 7.174 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.578 1.410 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.079 -0.589 7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.839 -0.302 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.508 0.114 7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.300 1.308 8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.781 2.092 8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.950 2.976 7.976 1.00 0.00 H new ATOM 1180 N VAL A 78 -2.947 1.807 4.943 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.373 1.416 3.661 1.00 0.00 C ATOM 1182 C VAL A 78 -1.877 -0.026 3.698 1.00 0.00 C ATOM 1183 O VAL A 78 -1.375 -0.493 4.720 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.206 2.339 3.264 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.733 2.025 1.853 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.616 3.798 3.386 1.00 0.00 C ATOM 0 H VAL A 78 -2.269 1.890 5.701 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.166 1.505 2.918 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.376 2.161 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.092 2.687 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.397 0.989 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.555 2.173 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.779 4.436 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.462 3.994 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.901 4.011 4.416 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.022 -0.724 2.576 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.588 -2.113 2.481 1.00 0.00 C ATOM 1198 C GLN A 79 -0.824 -2.357 1.184 1.00 0.00 C ATOM 1199 O GLN A 79 -0.946 -1.592 0.226 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.793 -3.052 2.561 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.171 -3.437 3.982 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.646 -3.755 4.128 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -5.501 -2.888 3.943 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -4.953 -5.003 4.462 1.00 0.00 N ATOM 0 H GLN A 79 -2.436 -0.351 1.722 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.921 -2.317 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.648 -2.574 2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.576 -3.957 1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.585 -4.303 4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.911 -2.622 4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.212 -5.689 4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.930 -5.275 4.575 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.035 -3.426 1.159 1.00 0.00 N ATOM 1214 CA VAL A 80 0.749 -3.772 -0.021 1.00 0.00 C ATOM 1215 C VAL A 80 0.551 -5.234 -0.403 1.00 0.00 C ATOM 1216 O VAL A 80 0.249 -6.073 0.445 1.00 0.00 O ATOM 1217 CB VAL A 80 2.249 -3.510 0.206 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.830 -4.534 1.170 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.999 -3.526 -1.117 1.00 0.00 C ATOM 0 H VAL A 80 0.078 -4.068 1.943 1.00 0.00 H new ATOM 0 HA VAL A 80 0.396 -3.137 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 80 2.364 -2.521 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.891 -4.333 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.311 -4.469 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.705 -5.535 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.058 -3.339 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.878 -4.499 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.600 -2.751 -1.771 1.00 0.00 H new ATOM 1229 N ARG A 81 0.723 -5.533 -1.687 1.00 0.00 N ATOM 1230 CA ARG A 81 0.563 -6.894 -2.183 1.00 0.00 C ATOM 1231 C ARG A 81 1.578 -7.196 -3.281 1.00 0.00 C ATOM 1232 O ARG A 81 2.212 -6.289 -3.820 1.00 0.00 O ATOM 1233 CB ARG A 81 -0.857 -7.102 -2.714 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.166 -6.288 -3.960 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.391 -6.823 -4.685 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.623 -6.196 -4.215 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.824 -6.750 -4.341 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -4.953 -7.936 -4.919 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.898 -6.117 -3.888 1.00 0.00 N ATOM 0 H ARG A 81 0.973 -4.850 -2.402 1.00 0.00 H new ATOM 0 HA ARG A 81 0.737 -7.579 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.002 -8.159 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.570 -6.840 -1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.331 -5.247 -3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.307 -6.308 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.282 -6.651 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.455 -7.901 -4.541 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.558 -5.283 -3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.129 -8.425 -5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.876 -8.359 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.802 -5.204 -3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.820 -6.543 -3.985 1.00 0.00 H new ATOM 1253 N ALA A 82 1.727 -8.475 -3.608 1.00 0.00 N ATOM 1254 CA ALA A 82 2.663 -8.896 -4.642 1.00 0.00 C ATOM 1255 C ALA A 82 1.926 -9.437 -5.863 1.00 0.00 C ATOM 1256 O ALA A 82 1.168 -10.402 -5.764 1.00 0.00 O ATOM 1257 CB ALA A 82 3.620 -9.945 -4.093 1.00 0.00 C ATOM 0 H ALA A 82 1.211 -9.238 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 82 3.237 -8.024 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.314 -10.250 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.179 -9.525 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.053 -10.812 -3.752 1.00 0.00 H new ATOM 1263 N ARG A 83 2.153 -8.809 -7.012 1.00 0.00 N ATOM 1264 CA ARG A 83 1.509 -9.227 -8.251 1.00 0.00 C ATOM 1265 C ARG A 83 2.503 -9.929 -9.171 1.00 0.00 C ATOM 1266 O ARG A 83 3.629 -9.465 -9.357 1.00 0.00 O ATOM 1267 CB ARG A 83 0.900 -8.019 -8.967 1.00 0.00 C ATOM 1268 CG ARG A 83 0.064 -8.389 -10.181 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.134 -7.196 -11.104 1.00 0.00 C ATOM 1270 NE ARG A 83 0.978 -7.034 -12.036 1.00 0.00 N ATOM 1271 CZ ARG A 83 1.152 -5.955 -12.792 1.00 0.00 C ATOM 1272 NH1 ARG A 83 0.291 -4.949 -12.726 1.00 0.00 N ATOM 1273 NH2 ARG A 83 2.190 -5.881 -13.615 1.00 0.00 N ATOM 0 H ARG A 83 2.778 -8.009 -7.110 1.00 0.00 H new ATOM 0 HA ARG A 83 0.715 -9.930 -7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.278 -7.465 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.702 -7.350 -9.279 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.551 -9.197 -10.727 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.906 -8.764 -9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.061 -7.321 -11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.242 -6.290 -10.507 1.00 0.00 H new ATOM 0 HE ARG A 83 1.658 -7.790 -12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.508 -5.002 -12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.427 -4.122 -13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.855 -6.653 -13.668 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.323 -5.053 -14.195 1.00 0.00 H new ATOM 1287 N THR A 84 2.080 -11.051 -9.745 1.00 0.00 N ATOM 1288 CA THR A 84 2.933 -11.818 -10.644 1.00 0.00 C ATOM 1289 C THR A 84 2.171 -12.249 -11.892 1.00 0.00 C ATOM 1290 O THR A 84 0.945 -12.143 -11.950 1.00 0.00 O ATOM 1291 CB THR A 84 3.502 -13.069 -9.947 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.436 -13.943 -9.562 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.316 -12.682 -8.721 1.00 0.00 C ATOM 0 H THR A 84 1.151 -11.449 -9.603 1.00 0.00 H new ATOM 0 HA THR A 84 3.756 -11.164 -10.932 1.00 0.00 H new ATOM 0 HB THR A 84 4.156 -13.584 -10.650 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.806 -14.736 -9.121 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.707 -13.581 -8.245 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.144 -12.041 -9.022 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.680 -12.146 -8.016 1.00 0.00 H new ATOM 1301 N VAL A 85 2.903 -12.735 -12.889 1.00 0.00 N ATOM 1302 CA VAL A 85 2.295 -13.183 -14.136 1.00 0.00 C ATOM 1303 C VAL A 85 1.140 -14.143 -13.870 1.00 0.00 C ATOM 1304 O VAL A 85 0.183 -14.207 -14.641 1.00 0.00 O ATOM 1305 CB VAL A 85 3.326 -13.877 -15.045 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.665 -15.260 -14.511 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.806 -13.961 -16.472 1.00 0.00 C ATOM 0 H VAL A 85 3.918 -12.829 -12.857 1.00 0.00 H new ATOM 0 HA VAL A 85 1.916 -12.294 -14.641 1.00 0.00 H new ATOM 0 HB VAL A 85 4.239 -13.282 -15.049 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.395 -15.734 -15.167 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.082 -15.171 -13.508 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.761 -15.868 -14.475 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.547 -14.454 -17.101 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.878 -14.533 -16.488 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.620 -12.956 -16.851 1.00 0.00 H new ATOM 1317 N ALA A 86 1.238 -14.888 -12.774 1.00 0.00 N ATOM 1318 CA ALA A 86 0.200 -15.843 -12.405 1.00 0.00 C ATOM 1319 C ALA A 86 -1.088 -15.129 -12.009 1.00 0.00 C ATOM 1320 O ALA A 86 -2.170 -15.474 -12.481 1.00 0.00 O ATOM 1321 CB ALA A 86 0.683 -16.734 -11.269 1.00 0.00 C ATOM 0 H ALA A 86 2.025 -14.849 -12.126 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.013 -16.465 -13.275 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.102 -17.442 -11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.572 -17.279 -11.587 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.925 -16.119 -10.402 1.00 0.00 H new ATOM 1327 N GLY A 87 -0.963 -14.133 -11.137 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.125 -13.387 -10.692 1.00 0.00 C ATOM 1329 C GLY A 87 -1.784 -12.363 -9.627 1.00 0.00 C ATOM 1330 O GLY A 87 -0.666 -11.850 -9.586 1.00 0.00 O ATOM 0 H GLY A 87 -0.078 -13.830 -10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.577 -12.882 -11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.870 -14.080 -10.300 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.750 -12.064 -8.766 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.548 -11.092 -7.698 1.00 0.00 C ATOM 1336 C TYR A 88 -2.466 -11.782 -6.340 1.00 0.00 C ATOM 1337 O TYR A 88 -3.095 -12.815 -6.118 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.682 -10.065 -7.693 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.542 -9.003 -8.760 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -3.711 -9.314 -10.104 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.240 -7.689 -8.425 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -3.584 -8.347 -11.082 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.112 -6.716 -9.397 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.285 -7.049 -10.724 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.157 -6.083 -11.695 1.00 0.00 O ATOM 0 H TYR A 88 -3.681 -12.481 -8.787 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.603 -10.580 -7.882 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.631 -10.583 -7.831 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.721 -9.584 -6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.946 -10.329 -10.389 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.103 -7.424 -7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.718 -8.606 -12.122 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.878 -5.699 -9.119 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.946 -5.223 -11.275 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.684 -11.202 -5.435 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.534 -11.774 -4.109 1.00 0.00 C ATOM 1357 C GLY A 89 -2.307 -11.006 -3.055 1.00 0.00 C ATOM 1358 O GLY A 89 -2.718 -9.868 -3.282 1.00 0.00 O ATOM 0 H GLY A 89 -1.152 -10.347 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.875 -12.809 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.478 -11.790 -3.841 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.507 -11.630 -1.899 1.00 0.00 N ATOM 1363 CA LYS A 90 -3.237 -11.000 -0.806 1.00 0.00 C ATOM 1364 C LYS A 90 -2.508 -9.754 -0.312 1.00 0.00 C ATOM 1365 O LYS A 90 -1.395 -9.460 -0.749 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.420 -11.988 0.349 1.00 0.00 C ATOM 1367 CG LYS A 90 -2.120 -12.612 0.827 1.00 0.00 C ATOM 1368 CD LYS A 90 -2.361 -13.949 1.507 1.00 0.00 C ATOM 1369 CE LYS A 90 -1.313 -14.228 2.574 1.00 0.00 C ATOM 1370 NZ LYS A 90 -0.094 -14.863 2.002 1.00 0.00 N ATOM 0 H LYS A 90 -2.173 -12.572 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.217 -10.702 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.895 -11.474 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.099 -12.780 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.448 -12.749 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.623 -11.934 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.353 -13.955 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.345 -14.745 0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.039 -13.295 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.737 -14.879 3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.696 -14.762 2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.276 -15.873 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.150 -14.399 1.104 1.00 0.00 H new ATOM 1384 N PHE A 91 -3.141 -9.026 0.602 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.552 -7.812 1.155 1.00 0.00 C ATOM 1386 C PHE A 91 -1.771 -8.119 2.430 1.00 0.00 C ATOM 1387 O PHE A 91 -2.102 -9.050 3.164 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.642 -6.779 1.447 1.00 0.00 C ATOM 1389 CG PHE A 91 -3.936 -5.873 0.286 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -2.914 -5.187 -0.350 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.234 -5.708 -0.170 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.183 -4.352 -1.419 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.508 -4.875 -1.238 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.481 -4.197 -1.864 1.00 0.00 C ATOM 0 H PHE A 91 -4.062 -9.256 0.975 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.862 -7.403 0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.557 -7.299 1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.339 -6.174 2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.897 -5.306 -0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.041 -6.237 0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.378 -3.821 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.524 -4.754 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.692 -3.547 -2.700 1.00 0.00 H new ATOM 1404 N SER A 92 -0.733 -7.330 2.684 1.00 0.00 N ATOM 1405 CA SER A 92 0.099 -7.518 3.867 1.00 0.00 C ATOM 1406 C SER A 92 -0.622 -7.032 5.121 1.00 0.00 C ATOM 1407 O SER A 92 -1.701 -6.447 5.043 1.00 0.00 O ATOM 1408 CB SER A 92 1.426 -6.775 3.707 1.00 0.00 C ATOM 1409 OG SER A 92 1.269 -5.390 3.961 1.00 0.00 O ATOM 0 H SER A 92 -0.447 -6.554 2.087 1.00 0.00 H new ATOM 0 HA SER A 92 0.299 -8.584 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.165 -7.192 4.392 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.809 -6.922 2.697 1.00 0.00 H new ATOM 0 HG SER A 92 2.041 -5.061 4.467 1.00 0.00 H new ATOM 1415 N GLY A 93 -0.014 -7.278 6.278 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.611 -6.858 7.533 1.00 0.00 C ATOM 1417 C GLY A 93 -1.254 -5.489 7.440 1.00 0.00 C ATOM 1418 O GLY A 93 -0.958 -4.716 6.529 1.00 0.00 O ATOM 0 H GLY A 93 0.880 -7.760 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.361 -7.588 7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.154 -6.845 8.309 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.139 -5.188 8.384 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.827 -3.902 8.407 1.00 0.00 C ATOM 1424 C LYS A 94 -2.131 -2.928 9.351 1.00 0.00 C ATOM 1425 O LYS A 94 -2.063 -3.161 10.558 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.285 -4.089 8.833 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.244 -3.121 8.161 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.472 -2.867 9.019 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.583 -3.859 8.710 1.00 0.00 C ATOM 1430 NZ LYS A 94 -8.466 -4.088 9.887 1.00 0.00 N ATOM 0 H LYS A 94 -2.397 -5.817 9.144 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.799 -3.485 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.593 -5.109 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.357 -3.968 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.733 -2.178 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.551 -3.523 7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.202 -2.938 10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.832 -1.852 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.179 -3.489 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.146 -4.806 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.210 -4.770 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.903 -4.466 10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.903 -3.189 10.173 1.00 0.00 H new ATOM 1444 N MET A 95 -1.617 -1.837 8.795 1.00 0.00 N ATOM 1445 CA MET A 95 -0.928 -0.826 9.589 1.00 0.00 C ATOM 1446 C MET A 95 -1.625 0.526 9.472 1.00 0.00 C ATOM 1447 O MET A 95 -2.379 0.766 8.528 1.00 0.00 O ATOM 1448 CB MET A 95 0.530 -0.701 9.142 1.00 0.00 C ATOM 1449 CG MET A 95 1.467 -0.244 10.248 1.00 0.00 C ATOM 1450 SD MET A 95 1.829 -1.551 11.437 1.00 0.00 S ATOM 1451 CE MET A 95 3.358 -2.202 10.769 1.00 0.00 C ATOM 0 H MET A 95 -1.664 -1.630 7.797 1.00 0.00 H new ATOM 0 HA MET A 95 -0.955 -1.140 10.632 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.870 -1.665 8.764 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.588 0.004 8.313 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.399 0.108 9.806 1.00 0.00 H new ATOM 0 HG3 MET A 95 1.021 0.603 10.770 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.534 -3.200 11.169 1.00 0.00 H new ATOM 0 HE2 MET A 95 3.287 -2.254 9.683 1.00 0.00 H new ATOM 0 HE3 MET A 95 4.184 -1.548 11.048 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.370 1.403 10.436 1.00 0.00 N ATOM 1462 CA CYS A 96 -1.974 2.731 10.441 1.00 0.00 C ATOM 1463 C CYS A 96 -0.902 3.816 10.443 1.00 0.00 C ATOM 1464 O CYS A 96 -0.071 3.881 11.348 1.00 0.00 O ATOM 1465 CB CYS A 96 -2.885 2.895 11.658 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.046 2.669 13.244 1.00 0.00 S ATOM 0 H CYS A 96 -0.749 1.219 11.224 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.569 2.836 9.534 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.331 3.889 11.633 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.702 2.177 11.586 1.00 0.00 H new ATOM 0 HG CYS A 96 -0.838 3.143 13.167 1.00 0.00 H new ATOM 1472 N PHE A 97 -0.927 4.667 9.422 1.00 0.00 N ATOM 1473 CA PHE A 97 0.044 5.748 9.304 1.00 0.00 C ATOM 1474 C PHE A 97 -0.657 7.097 9.174 1.00 0.00 C ATOM 1475 O PHE A 97 -1.447 7.311 8.255 1.00 0.00 O ATOM 1476 CB PHE A 97 0.954 5.515 8.096 1.00 0.00 C ATOM 1477 CG PHE A 97 1.556 4.140 8.055 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.533 3.769 8.965 1.00 0.00 C ATOM 1479 CD2 PHE A 97 1.145 3.218 7.105 1.00 0.00 C ATOM 1480 CE1 PHE A 97 3.089 2.504 8.930 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.697 1.951 7.066 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.671 1.594 7.978 1.00 0.00 C ATOM 0 H PHE A 97 -1.609 4.628 8.665 1.00 0.00 H new ATOM 0 HA PHE A 97 0.650 5.759 10.210 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.382 5.680 7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.756 6.254 8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.864 4.477 9.711 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.386 3.492 6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.849 2.227 9.646 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.367 1.241 6.323 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.105 0.606 7.947 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.362 8.002 10.102 1.00 0.00 N ATOM 1493 CA GLN A 98 -0.965 9.330 10.093 1.00 0.00 C ATOM 1494 C GLN A 98 -0.030 10.347 9.448 1.00 0.00 C ATOM 1495 O GLN A 98 1.179 10.131 9.364 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.310 9.766 11.517 1.00 0.00 C ATOM 1497 CG GLN A 98 -2.004 11.117 11.588 1.00 0.00 C ATOM 1498 CD GLN A 98 -2.454 11.469 12.993 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -1.636 11.606 13.903 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -3.761 11.617 13.176 1.00 0.00 N ATOM 0 H GLN A 98 0.290 7.840 10.869 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.881 9.282 9.504 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.952 9.013 11.973 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.395 9.805 12.108 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.326 11.889 11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -2.868 11.112 10.924 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.403 11.494 12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -4.123 11.854 14.100 1.00 0.00 H new ATOM 1509 N THR A 99 -0.598 11.460 8.992 1.00 0.00 N ATOM 1510 CA THR A 99 0.184 12.511 8.353 1.00 0.00 C ATOM 1511 C THR A 99 0.786 13.455 9.388 1.00 0.00 C ATOM 1512 O THR A 99 0.629 13.253 10.593 1.00 0.00 O ATOM 1513 CB THR A 99 -0.672 13.327 7.367 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.848 13.813 8.024 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.068 12.482 6.166 1.00 0.00 C ATOM 0 H THR A 99 -1.597 11.656 9.054 1.00 0.00 H new ATOM 0 HA THR A 99 0.987 12.018 7.804 1.00 0.00 H new ATOM 0 HB THR A 99 -0.078 14.171 7.017 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.543 13.995 7.358 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.672 13.080 5.484 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.171 12.139 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.645 11.621 6.502 1.00 0.00 H new ATOM 1523 N LEU A 100 1.474 14.486 8.912 1.00 0.00 N ATOM 1524 CA LEU A 100 2.099 15.463 9.797 1.00 0.00 C ATOM 1525 C LEU A 100 1.069 16.454 10.328 1.00 0.00 C ATOM 1526 O LEU A 100 0.381 17.125 9.558 1.00 0.00 O ATOM 1527 CB LEU A 100 3.210 16.211 9.059 1.00 0.00 C ATOM 1528 CG LEU A 100 4.495 15.423 8.803 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.373 15.414 10.045 1.00 0.00 C ATOM 1530 CD2 LEU A 100 4.171 14.002 8.367 1.00 0.00 C ATOM 0 H LEU A 100 1.614 14.668 7.918 1.00 0.00 H new ATOM 0 HA LEU A 100 2.530 14.927 10.643 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.818 16.549 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.463 17.103 9.632 1.00 0.00 H new ATOM 0 HG LEU A 100 5.044 15.913 7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.283 14.848 9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.634 16.438 10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.832 14.949 10.870 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.097 13.456 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.600 13.503 9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.583 14.028 7.449 1.00 0.00 H new ATOM 1542 N THR A 101 0.968 16.543 11.651 1.00 0.00 N ATOM 1543 CA THR A 101 0.023 17.453 12.286 1.00 0.00 C ATOM 1544 C THR A 101 0.608 18.855 12.410 1.00 0.00 C ATOM 1545 O THR A 101 1.546 19.081 13.175 1.00 0.00 O ATOM 1546 CB THR A 101 -0.385 16.953 13.685 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.708 17.107 14.598 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.809 15.493 13.636 1.00 0.00 C ATOM 0 H THR A 101 1.529 15.996 12.303 1.00 0.00 H new ATOM 0 HA THR A 101 -0.860 17.486 11.648 1.00 0.00 H new ATOM 0 HB THR A 101 -1.231 17.549 14.027 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.453 17.553 14.144 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.092 15.163 14.635 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.659 15.383 12.963 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.020 14.885 13.275 1.00 0.00 H new ATOM 1556 N ASP A 102 0.049 19.793 11.654 1.00 0.00 N ATOM 1557 CA ASP A 102 0.515 21.175 11.681 1.00 0.00 C ATOM 1558 C ASP A 102 0.443 21.745 13.095 1.00 0.00 C ATOM 1559 O ASP A 102 1.385 22.381 13.566 1.00 0.00 O ATOM 1560 CB ASP A 102 -0.317 22.035 10.728 1.00 0.00 C ATOM 1561 CG ASP A 102 -0.243 23.511 11.066 1.00 0.00 C ATOM 1562 OD1 ASP A 102 0.884 24.035 11.185 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -1.311 24.141 11.211 1.00 0.00 O ATOM 0 H ASP A 102 -0.727 19.622 11.015 1.00 0.00 H new ATOM 0 HA ASP A 102 1.555 21.188 11.355 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.031 21.881 9.707 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.357 21.709 10.763 1.00 0.00 H new