USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 18 MET CE :methyl -165:sc= -0.0459 (180deg=-0.377) USER MOD Single : A 19 MET CE :methyl -116:sc= -0.0356 (180deg=-0.979) USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= 0.24 (180deg=-0.15) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : A 58 ASN : amide:sc= 1.08 K(o=1.1,f=-1.2) USER MOD Single : A 66 THR OG1 : rot 26:sc= 0.263 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -83:sc= 0.0142 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 102 LYS NZ :NH3+ -166:sc= 1.68 (180deg=1.38) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 106 MET CE :methyl -161:sc= -0.101 (180deg=-0.535) USER MOD Single : A 111 LYS NZ :NH3+ 174:sc= 0.738 (180deg=0.689) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 6.586 4.851 -6.274 1.00 0.00 N ATOM 42 CA LEU A 4 7.206 6.025 -6.874 1.00 0.00 C ATOM 43 C LEU A 4 6.361 6.527 -8.042 1.00 0.00 C ATOM 44 O LEU A 4 6.879 7.134 -8.976 1.00 0.00 O ATOM 45 CB LEU A 4 8.641 5.707 -7.308 1.00 0.00 C ATOM 46 CG LEU A 4 9.608 5.693 -6.126 1.00 0.00 C ATOM 47 CD1 LEU A 4 10.978 5.204 -6.569 1.00 0.00 C ATOM 48 CD2 LEU A 4 9.812 7.113 -5.608 1.00 0.00 C ATOM 0 HA LEU A 4 7.256 6.822 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.663 4.737 -7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.971 6.447 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 4 9.185 5.041 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.656 5.200 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.892 4.194 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.369 5.868 -7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.503 7.097 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.224 7.735 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.855 7.524 -5.285 1.00 0.00 H new ATOM 60 N THR A 5 5.052 6.277 -7.997 1.00 0.00 N ATOM 61 CA THR A 5 4.129 6.702 -9.037 1.00 0.00 C ATOM 62 C THR A 5 3.755 8.169 -8.888 1.00 0.00 C ATOM 63 O THR A 5 3.115 8.716 -9.784 1.00 0.00 O ATOM 64 CB THR A 5 2.856 5.855 -8.993 1.00 0.00 C ATOM 65 OG1 THR A 5 2.529 5.521 -7.661 1.00 0.00 O ATOM 66 CG2 THR A 5 3.043 4.587 -9.809 1.00 0.00 C ATOM 0 H THR A 5 4.605 5.771 -7.232 1.00 0.00 H new ATOM 0 HA THR A 5 4.633 6.567 -9.994 1.00 0.00 H new ATOM 0 HB THR A 5 2.040 6.439 -9.419 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.711 4.981 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.131 3.992 -9.771 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.262 4.849 -10.844 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.871 4.009 -9.398 1.00 0.00 H new ATOM 74 N GLN A 6 4.140 8.813 -7.784 1.00 0.00 N ATOM 75 CA GLN A 6 3.745 10.186 -7.536 1.00 0.00 C ATOM 76 C GLN A 6 4.936 11.118 -7.380 1.00 0.00 C ATOM 77 O GLN A 6 5.713 10.996 -6.434 1.00 0.00 O ATOM 78 CB GLN A 6 2.836 10.216 -6.315 1.00 0.00 C ATOM 79 CG GLN A 6 1.659 9.276 -6.588 1.00 0.00 C ATOM 80 CD GLN A 6 0.545 9.369 -5.562 1.00 0.00 C ATOM 81 OE1 GLN A 6 0.586 10.156 -4.621 1.00 0.00 O ATOM 82 NE2 GLN A 6 -0.470 8.537 -5.760 1.00 0.00 N ATOM 0 H GLN A 6 4.722 8.401 -7.055 1.00 0.00 H new ATOM 0 HA GLN A 6 3.202 10.558 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.380 9.899 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.481 11.229 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.251 9.498 -7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.026 8.250 -6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.460 7.900 -6.557 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.260 8.534 -5.115 1.00 0.00 H new ATOM 91 N ILE A 7 5.064 12.050 -8.330 1.00 0.00 N ATOM 92 CA ILE A 7 6.193 12.960 -8.420 1.00 0.00 C ATOM 93 C ILE A 7 5.720 14.408 -8.314 1.00 0.00 C ATOM 94 O ILE A 7 4.771 14.799 -8.991 1.00 0.00 O ATOM 95 CB ILE A 7 6.931 12.737 -9.748 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.170 11.254 -10.069 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.269 13.483 -9.712 1.00 0.00 C ATOM 98 CD1 ILE A 7 7.935 10.510 -8.982 1.00 0.00 C ATOM 0 H ILE A 7 4.371 12.189 -9.066 1.00 0.00 H new ATOM 0 HA ILE A 7 6.876 12.761 -7.594 1.00 0.00 H new ATOM 0 HB ILE A 7 6.292 13.126 -10.540 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.208 10.765 -10.224 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.721 11.178 -11.006 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.797 13.328 -10.653 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.088 14.548 -9.569 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.875 13.104 -8.889 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.067 9.469 -9.277 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.911 10.974 -8.842 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.375 10.554 -8.048 1.00 0.00 H new ATOM 110 N LEU A 8 6.383 15.199 -7.465 1.00 0.00 N ATOM 111 CA LEU A 8 6.116 16.624 -7.326 1.00 0.00 C ATOM 112 C LEU A 8 7.031 17.386 -8.284 1.00 0.00 C ATOM 113 O LEU A 8 8.171 16.973 -8.500 1.00 0.00 O ATOM 114 CB LEU A 8 6.356 17.032 -5.869 1.00 0.00 C ATOM 115 CG LEU A 8 5.418 18.125 -5.344 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.861 18.496 -3.932 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.421 19.396 -6.184 1.00 0.00 C ATOM 0 H LEU A 8 7.125 14.861 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 8 5.082 16.859 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.252 16.150 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.385 17.377 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 8 4.408 17.718 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.207 19.273 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.807 17.616 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.887 18.864 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.733 20.121 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.426 19.816 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.105 19.161 -7.201 1.00 0.00 H new ATOM 129 N ILE A 9 6.552 18.490 -8.856 1.00 0.00 N ATOM 130 CA ILE A 9 7.326 19.303 -9.784 1.00 0.00 C ATOM 131 C ILE A 9 7.609 20.663 -9.154 1.00 0.00 C ATOM 132 O ILE A 9 6.695 21.313 -8.645 1.00 0.00 O ATOM 133 CB ILE A 9 6.544 19.457 -11.091 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.291 18.091 -11.743 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.305 20.367 -12.063 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.212 18.188 -12.822 1.00 0.00 C ATOM 0 H ILE A 9 5.611 18.845 -8.686 1.00 0.00 H new ATOM 0 HA ILE A 9 8.279 18.820 -10.002 1.00 0.00 H new ATOM 0 HB ILE A 9 5.581 19.911 -10.857 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.216 17.717 -12.182 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.986 17.372 -10.982 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.737 20.467 -12.988 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.440 21.350 -11.611 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.280 19.931 -12.281 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.053 17.206 -13.267 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.282 18.539 -12.376 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.531 18.889 -13.594 1.00 0.00 H new ATOM 148 N VAL A 10 8.872 21.099 -9.191 1.00 0.00 N ATOM 149 CA VAL A 10 9.269 22.414 -8.702 1.00 0.00 C ATOM 150 C VAL A 10 9.909 23.180 -9.848 1.00 0.00 C ATOM 151 O VAL A 10 10.939 22.766 -10.379 1.00 0.00 O ATOM 152 CB VAL A 10 10.213 22.288 -7.503 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.486 23.674 -6.919 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.594 21.406 -6.420 1.00 0.00 C ATOM 0 H VAL A 10 9.645 20.546 -9.562 1.00 0.00 H new ATOM 0 HA VAL A 10 8.395 22.963 -8.352 1.00 0.00 H new ATOM 0 HB VAL A 10 11.144 21.834 -7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.158 23.583 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.948 24.305 -7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.547 24.124 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.281 21.329 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.655 21.847 -6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.404 20.412 -6.825 1.00 0.00 H new ATOM 164 N GLU A 11 9.288 24.300 -10.225 1.00 0.00 N ATOM 165 CA GLU A 11 9.627 25.037 -11.433 1.00 0.00 C ATOM 166 C GLU A 11 10.183 26.427 -11.144 1.00 0.00 C ATOM 167 O GLU A 11 10.033 26.959 -10.044 1.00 0.00 O ATOM 168 CB GLU A 11 8.383 25.137 -12.318 1.00 0.00 C ATOM 169 CG GLU A 11 7.309 26.003 -11.650 1.00 0.00 C ATOM 170 CD GLU A 11 6.047 26.100 -12.497 1.00 0.00 C ATOM 171 OE1 GLU A 11 5.038 25.469 -12.106 1.00 0.00 O ATOM 172 OE2 GLU A 11 6.095 26.800 -13.531 1.00 0.00 O ATOM 0 H GLU A 11 8.528 24.721 -9.691 1.00 0.00 H new ATOM 0 HA GLU A 11 10.419 24.490 -11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.652 25.564 -13.284 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.986 24.140 -12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.060 25.584 -10.675 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.706 27.003 -11.475 1.00 0.00 H new ATOM 179 N ASP A 12 10.827 27.007 -12.160 1.00 0.00 N ATOM 180 CA ASP A 12 11.313 28.377 -12.136 1.00 0.00 C ATOM 181 C ASP A 12 10.826 29.141 -13.369 1.00 0.00 C ATOM 182 O ASP A 12 11.057 30.344 -13.489 1.00 0.00 O ATOM 183 CB ASP A 12 12.840 28.379 -12.052 1.00 0.00 C ATOM 184 CG ASP A 12 13.486 27.942 -13.370 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.020 26.936 -13.948 1.00 0.00 O ATOM 186 OD2 ASP A 12 14.448 28.623 -13.786 1.00 0.00 O ATOM 0 H ASP A 12 11.026 26.523 -13.036 1.00 0.00 H new ATOM 0 HA ASP A 12 10.916 28.883 -11.256 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.188 29.379 -11.791 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.160 27.711 -11.252 1.00 0.00 H new ATOM 191 N GLU A 13 10.146 28.445 -14.289 1.00 0.00 N ATOM 192 CA GLU A 13 9.583 29.031 -15.495 1.00 0.00 C ATOM 193 C GLU A 13 8.387 28.180 -15.940 1.00 0.00 C ATOM 194 O GLU A 13 8.482 26.951 -15.917 1.00 0.00 O ATOM 195 CB GLU A 13 10.660 29.076 -16.582 1.00 0.00 C ATOM 196 CG GLU A 13 10.142 29.757 -17.850 1.00 0.00 C ATOM 197 CD GLU A 13 11.243 29.858 -18.902 1.00 0.00 C ATOM 198 OE1 GLU A 13 11.548 28.815 -19.525 1.00 0.00 O ATOM 199 OE2 GLU A 13 11.773 30.977 -19.079 1.00 0.00 O ATOM 0 H GLU A 13 9.973 27.443 -14.208 1.00 0.00 H new ATOM 0 HA GLU A 13 9.242 30.049 -15.308 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.533 29.612 -16.210 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.984 28.062 -16.818 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.300 29.194 -18.252 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.773 30.753 -17.608 1.00 0.00 H new ATOM 206 N PRO A 14 7.264 28.800 -16.346 1.00 0.00 N ATOM 207 CA PRO A 14 6.035 28.104 -16.715 1.00 0.00 C ATOM 208 C PRO A 14 6.201 27.071 -17.831 1.00 0.00 C ATOM 209 O PRO A 14 5.342 26.204 -17.990 1.00 0.00 O ATOM 210 CB PRO A 14 5.071 29.205 -17.164 1.00 0.00 C ATOM 211 CG PRO A 14 5.567 30.440 -16.420 1.00 0.00 C ATOM 212 CD PRO A 14 7.077 30.239 -16.432 1.00 0.00 C ATOM 0 HA PRO A 14 5.680 27.527 -15.861 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.101 29.348 -18.244 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.040 28.966 -16.903 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.275 31.362 -16.922 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.171 30.490 -15.406 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.522 30.641 -17.342 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.550 30.750 -15.593 1.00 0.00 H new ATOM 220 N LEU A 15 7.286 27.149 -18.605 1.00 0.00 N ATOM 221 CA LEU A 15 7.492 26.248 -19.727 1.00 0.00 C ATOM 222 C LEU A 15 8.061 24.903 -19.274 1.00 0.00 C ATOM 223 O LEU A 15 7.926 23.910 -19.987 1.00 0.00 O ATOM 224 CB LEU A 15 8.425 26.914 -20.744 1.00 0.00 C ATOM 225 CG LEU A 15 7.876 28.247 -21.256 1.00 0.00 C ATOM 226 CD1 LEU A 15 8.858 28.833 -22.268 1.00 0.00 C ATOM 227 CD2 LEU A 15 6.517 28.076 -21.940 1.00 0.00 C ATOM 0 H LEU A 15 8.033 27.830 -18.470 1.00 0.00 H new ATOM 0 HA LEU A 15 6.527 26.047 -20.192 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.400 27.078 -20.285 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.579 26.240 -21.587 1.00 0.00 H new ATOM 0 HG LEU A 15 7.750 28.909 -20.400 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.475 29.784 -22.638 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.823 28.993 -21.788 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.978 28.141 -23.101 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.161 29.045 -22.290 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.619 27.399 -22.788 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.802 27.661 -21.230 1.00 0.00 H new ATOM 239 N ILE A 16 8.692 24.851 -18.099 1.00 0.00 N ATOM 240 CA ILE A 16 9.281 23.612 -17.618 1.00 0.00 C ATOM 241 C ILE A 16 8.198 22.744 -16.993 1.00 0.00 C ATOM 242 O ILE A 16 8.214 21.526 -17.162 1.00 0.00 O ATOM 243 CB ILE A 16 10.399 23.913 -16.612 1.00 0.00 C ATOM 244 CG1 ILE A 16 11.430 24.898 -17.186 1.00 0.00 C ATOM 245 CG2 ILE A 16 11.090 22.611 -16.195 1.00 0.00 C ATOM 246 CD1 ILE A 16 12.036 24.436 -18.509 1.00 0.00 C ATOM 0 H ILE A 16 8.805 25.648 -17.472 1.00 0.00 H new ATOM 0 HA ILE A 16 9.722 23.069 -18.454 1.00 0.00 H new ATOM 0 HB ILE A 16 9.946 24.381 -15.738 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.954 25.868 -17.332 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.229 25.041 -16.459 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.883 22.833 -15.481 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.362 21.944 -15.734 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.518 22.129 -17.074 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.755 25.177 -18.858 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.541 23.481 -18.364 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.246 24.320 -19.250 1.00 0.00 H new ATOM 258 N ALA A 17 7.251 23.352 -16.275 1.00 0.00 N ATOM 259 CA ALA A 17 6.177 22.593 -15.657 1.00 0.00 C ATOM 260 C ALA A 17 5.193 22.107 -16.718 1.00 0.00 C ATOM 261 O ALA A 17 4.484 21.131 -16.497 1.00 0.00 O ATOM 262 CB ALA A 17 5.480 23.474 -14.625 1.00 0.00 C ATOM 0 H ALA A 17 7.211 24.358 -16.112 1.00 0.00 H new ATOM 0 HA ALA A 17 6.585 21.714 -15.158 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.672 22.914 -14.155 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.198 23.782 -13.865 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.071 24.357 -15.117 1.00 0.00 H new ATOM 268 N MET A 18 5.147 22.781 -17.871 1.00 0.00 N ATOM 269 CA MET A 18 4.274 22.370 -18.956 1.00 0.00 C ATOM 270 C MET A 18 4.863 21.154 -19.671 1.00 0.00 C ATOM 271 O MET A 18 4.123 20.299 -20.157 1.00 0.00 O ATOM 272 CB MET A 18 4.088 23.551 -19.914 1.00 0.00 C ATOM 273 CG MET A 18 3.101 23.203 -21.031 1.00 0.00 C ATOM 274 SD MET A 18 2.834 24.538 -22.229 1.00 0.00 S ATOM 275 CE MET A 18 2.084 25.789 -21.148 1.00 0.00 C ATOM 0 H MET A 18 5.706 23.611 -18.069 1.00 0.00 H new ATOM 0 HA MET A 18 3.299 22.079 -18.566 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.726 24.418 -19.362 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.049 23.827 -20.347 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.464 22.322 -21.560 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.144 22.934 -20.584 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.617 26.563 -21.757 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.330 25.319 -20.517 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.855 26.237 -20.521 1.00 0.00 H new ATOM 285 N MET A 19 6.195 21.066 -19.737 1.00 0.00 N ATOM 286 CA MET A 19 6.849 19.945 -20.393 1.00 0.00 C ATOM 287 C MET A 19 6.916 18.738 -19.457 1.00 0.00 C ATOM 288 O MET A 19 6.936 17.597 -19.918 1.00 0.00 O ATOM 289 CB MET A 19 8.241 20.383 -20.855 1.00 0.00 C ATOM 290 CG MET A 19 8.716 19.523 -22.025 1.00 0.00 C ATOM 291 SD MET A 19 7.750 19.774 -23.536 1.00 0.00 S ATOM 292 CE MET A 19 8.651 18.680 -24.657 1.00 0.00 C ATOM 0 H MET A 19 6.833 21.758 -19.344 1.00 0.00 H new ATOM 0 HA MET A 19 6.272 19.638 -21.266 1.00 0.00 H new ATOM 0 HB2 MET A 19 8.218 21.431 -21.153 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.946 20.303 -20.028 1.00 0.00 H new ATOM 0 HG2 MET A 19 9.763 19.747 -22.230 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.664 18.472 -21.739 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.104 19.269 -25.454 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.431 18.156 -24.105 1.00 0.00 H new ATOM 0 HE3 MET A 19 7.962 17.954 -25.089 1.00 0.00 H new ATOM 302 N LEU A 20 6.946 18.982 -18.144 1.00 0.00 N ATOM 303 CA LEU A 20 6.940 17.911 -17.156 1.00 0.00 C ATOM 304 C LEU A 20 5.547 17.299 -17.058 1.00 0.00 C ATOM 305 O LEU A 20 5.418 16.093 -16.872 1.00 0.00 O ATOM 306 CB LEU A 20 7.370 18.464 -15.792 1.00 0.00 C ATOM 307 CG LEU A 20 8.831 18.159 -15.430 1.00 0.00 C ATOM 308 CD1 LEU A 20 8.994 16.663 -15.177 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.790 18.630 -16.523 1.00 0.00 C ATOM 0 H LEU A 20 6.975 19.920 -17.743 1.00 0.00 H new ATOM 0 HA LEU A 20 7.642 17.136 -17.464 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.222 19.544 -15.786 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.721 18.049 -15.021 1.00 0.00 H new ATOM 0 HG LEU A 20 9.082 18.707 -14.522 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.031 16.448 -14.920 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.346 16.360 -14.354 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.721 16.110 -16.076 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.815 18.398 -16.233 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.554 18.122 -17.458 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.686 19.707 -16.659 1.00 0.00 H new ATOM 321 N GLU A 21 4.504 18.120 -17.184 1.00 0.00 N ATOM 322 CA GLU A 21 3.134 17.626 -17.146 1.00 0.00 C ATOM 323 C GLU A 21 2.794 16.916 -18.452 1.00 0.00 C ATOM 324 O GLU A 21 1.872 16.100 -18.485 1.00 0.00 O ATOM 325 CB GLU A 21 2.174 18.791 -16.894 1.00 0.00 C ATOM 326 CG GLU A 21 2.226 19.252 -15.435 1.00 0.00 C ATOM 327 CD GLU A 21 1.539 18.239 -14.516 1.00 0.00 C ATOM 328 OE1 GLU A 21 0.325 18.420 -14.269 1.00 0.00 O ATOM 329 OE2 GLU A 21 2.230 17.298 -14.067 1.00 0.00 O ATOM 0 H GLU A 21 4.585 19.129 -17.313 1.00 0.00 H new ATOM 0 HA GLU A 21 3.032 16.907 -16.333 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.430 19.623 -17.550 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.158 18.488 -17.145 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.264 19.382 -15.128 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.741 20.223 -15.339 1.00 0.00 H new ATOM 336 N ASP A 22 3.521 17.208 -19.534 1.00 0.00 N ATOM 337 CA ASP A 22 3.265 16.553 -20.807 1.00 0.00 C ATOM 338 C ASP A 22 3.763 15.109 -20.789 1.00 0.00 C ATOM 339 O ASP A 22 3.072 14.219 -21.286 1.00 0.00 O ATOM 340 CB ASP A 22 3.931 17.356 -21.926 1.00 0.00 C ATOM 341 CG ASP A 22 3.603 16.767 -23.296 1.00 0.00 C ATOM 342 OD1 ASP A 22 2.446 16.950 -23.741 1.00 0.00 O ATOM 343 OD2 ASP A 22 4.502 16.137 -23.890 1.00 0.00 O ATOM 0 H ASP A 22 4.282 17.887 -19.549 1.00 0.00 H new ATOM 0 HA ASP A 22 2.190 16.519 -20.985 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.596 18.392 -21.883 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.011 17.363 -21.779 1.00 0.00 H new ATOM 348 N PHE A 23 4.947 14.850 -20.224 1.00 0.00 N ATOM 349 CA PHE A 23 5.478 13.494 -20.231 1.00 0.00 C ATOM 350 C PHE A 23 4.926 12.628 -19.099 1.00 0.00 C ATOM 351 O PHE A 23 4.939 11.406 -19.227 1.00 0.00 O ATOM 352 CB PHE A 23 7.001 13.536 -20.192 1.00 0.00 C ATOM 353 CG PHE A 23 7.615 13.976 -21.500 1.00 0.00 C ATOM 354 CD1 PHE A 23 7.414 13.209 -22.657 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.388 15.145 -21.559 1.00 0.00 C ATOM 356 CE1 PHE A 23 7.972 13.615 -23.874 1.00 0.00 C ATOM 357 CE2 PHE A 23 8.955 15.546 -22.779 1.00 0.00 C ATOM 358 CZ PHE A 23 8.747 14.782 -23.935 1.00 0.00 C ATOM 0 H PHE A 23 5.539 15.545 -19.769 1.00 0.00 H new ATOM 0 HA PHE A 23 5.149 13.023 -21.157 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.320 14.215 -19.401 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.379 12.547 -19.934 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.827 12.303 -22.608 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.547 15.735 -20.668 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.806 13.030 -24.766 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.552 16.445 -22.827 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.184 15.092 -24.873 1.00 0.00 H new ATOM 368 N LEU A 24 4.438 13.222 -18.003 1.00 0.00 N ATOM 369 CA LEU A 24 3.893 12.418 -16.917 1.00 0.00 C ATOM 370 C LEU A 24 2.459 11.983 -17.221 1.00 0.00 C ATOM 371 O LEU A 24 1.982 11.009 -16.645 1.00 0.00 O ATOM 372 CB LEU A 24 3.986 13.203 -15.605 1.00 0.00 C ATOM 373 CG LEU A 24 5.442 13.413 -15.178 1.00 0.00 C ATOM 374 CD1 LEU A 24 5.480 14.320 -13.950 1.00 0.00 C ATOM 375 CD2 LEU A 24 6.129 12.098 -14.814 1.00 0.00 C ATOM 0 H LEU A 24 4.411 14.230 -17.851 1.00 0.00 H new ATOM 0 HA LEU A 24 4.481 11.506 -16.815 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.497 14.170 -15.723 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.449 12.668 -14.821 1.00 0.00 H new ATOM 0 HG LEU A 24 5.968 13.859 -16.022 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.514 14.472 -13.642 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.028 15.282 -14.194 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.924 13.854 -13.136 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.159 12.296 -14.518 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.598 11.627 -13.987 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.121 11.432 -15.677 1.00 0.00 H new ATOM 387 N GLU A 25 1.766 12.687 -18.120 1.00 0.00 N ATOM 388 CA GLU A 25 0.422 12.299 -18.537 1.00 0.00 C ATOM 389 C GLU A 25 0.466 11.276 -19.671 1.00 0.00 C ATOM 390 O GLU A 25 -0.439 10.451 -19.790 1.00 0.00 O ATOM 391 CB GLU A 25 -0.361 13.545 -18.957 1.00 0.00 C ATOM 392 CG GLU A 25 -0.712 14.418 -17.751 1.00 0.00 C ATOM 393 CD GLU A 25 -1.733 13.730 -16.848 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.909 13.639 -17.268 1.00 0.00 O ATOM 395 OE2 GLU A 25 -1.331 13.303 -15.742 1.00 0.00 O ATOM 0 H GLU A 25 2.118 13.531 -18.573 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.083 11.826 -17.695 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.228 14.124 -19.668 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.275 13.246 -19.470 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.192 14.636 -17.182 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.111 15.373 -18.094 1.00 0.00 H new ATOM 402 N VAL A 26 1.512 11.315 -20.506 1.00 0.00 N ATOM 403 CA VAL A 26 1.653 10.389 -21.628 1.00 0.00 C ATOM 404 C VAL A 26 2.311 9.078 -21.186 1.00 0.00 C ATOM 405 O VAL A 26 2.200 8.069 -21.882 1.00 0.00 O ATOM 406 CB VAL A 26 2.450 11.083 -22.743 1.00 0.00 C ATOM 407 CG1 VAL A 26 2.781 10.133 -23.896 1.00 0.00 C ATOM 408 CG2 VAL A 26 1.627 12.238 -23.315 1.00 0.00 C ATOM 0 H VAL A 26 2.277 11.985 -20.421 1.00 0.00 H new ATOM 0 HA VAL A 26 0.667 10.123 -22.010 1.00 0.00 H new ATOM 0 HB VAL A 26 3.381 11.434 -22.298 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.345 10.670 -24.659 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.378 9.301 -23.522 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.857 9.751 -24.329 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.192 12.731 -24.106 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.693 11.852 -23.723 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.409 12.956 -22.524 1.00 0.00 H new ATOM 418 N LEU A 27 2.992 9.076 -20.034 1.00 0.00 N ATOM 419 CA LEU A 27 3.698 7.905 -19.528 1.00 0.00 C ATOM 420 C LEU A 27 2.878 7.171 -18.463 1.00 0.00 C ATOM 421 O LEU A 27 3.417 6.378 -17.693 1.00 0.00 O ATOM 422 CB LEU A 27 5.090 8.335 -19.048 1.00 0.00 C ATOM 423 CG LEU A 27 6.065 7.178 -18.786 1.00 0.00 C ATOM 424 CD1 LEU A 27 6.206 6.262 -19.998 1.00 0.00 C ATOM 425 CD2 LEU A 27 7.431 7.779 -18.468 1.00 0.00 C ATOM 0 H LEU A 27 3.066 9.893 -19.428 1.00 0.00 H new ATOM 0 HA LEU A 27 3.833 7.175 -20.326 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.527 8.999 -19.794 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.980 8.914 -18.131 1.00 0.00 H new ATOM 0 HG LEU A 27 5.680 6.581 -17.960 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.905 5.458 -19.767 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.234 5.837 -20.248 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.580 6.836 -20.846 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.145 6.978 -18.277 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.772 8.375 -19.314 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.353 8.413 -17.585 1.00 0.00 H new ATOM 437 N ASP A 28 1.565 7.435 -18.416 1.00 0.00 N ATOM 438 CA ASP A 28 0.649 6.816 -17.464 1.00 0.00 C ATOM 439 C ASP A 28 1.119 6.984 -16.013 1.00 0.00 C ATOM 440 O ASP A 28 0.873 6.129 -15.160 1.00 0.00 O ATOM 441 CB ASP A 28 0.388 5.359 -17.861 1.00 0.00 C ATOM 442 CG ASP A 28 -0.764 4.744 -17.067 1.00 0.00 C ATOM 443 OD1 ASP A 28 -0.588 3.603 -16.577 1.00 0.00 O ATOM 444 OD2 ASP A 28 -1.813 5.414 -16.954 1.00 0.00 O ATOM 0 H ASP A 28 1.109 8.093 -19.048 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.307 7.338 -17.507 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.161 5.309 -18.926 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.292 4.772 -17.700 1.00 0.00 H new ATOM 449 N LYS A 29 1.806 8.098 -15.735 1.00 0.00 N ATOM 450 CA LYS A 29 2.315 8.423 -14.408 1.00 0.00 C ATOM 451 C LYS A 29 1.217 9.122 -13.604 1.00 0.00 C ATOM 452 O LYS A 29 0.220 9.560 -14.176 1.00 0.00 O ATOM 453 CB LYS A 29 3.565 9.301 -14.574 1.00 0.00 C ATOM 454 CG LYS A 29 4.787 8.730 -13.851 1.00 0.00 C ATOM 455 CD LYS A 29 4.577 8.724 -12.340 1.00 0.00 C ATOM 456 CE LYS A 29 5.890 8.468 -11.604 1.00 0.00 C ATOM 457 NZ LYS A 29 6.462 7.146 -11.932 1.00 0.00 N ATOM 0 H LYS A 29 2.024 8.805 -16.438 1.00 0.00 H new ATOM 0 HA LYS A 29 2.597 7.525 -13.859 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.792 9.406 -15.635 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.356 10.300 -14.192 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.978 7.715 -14.199 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.669 9.322 -14.097 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.160 9.680 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.851 7.956 -12.074 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.607 9.247 -11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.721 8.533 -10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.796 6.686 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.733 6.554 -12.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.260 7.266 -12.588 1.00 0.00 H new ATOM 471 N THR A 30 1.391 9.235 -12.281 1.00 0.00 N ATOM 472 CA THR A 30 0.404 9.889 -11.424 1.00 0.00 C ATOM 473 C THR A 30 1.006 11.115 -10.733 1.00 0.00 C ATOM 474 O THR A 30 1.309 11.061 -9.543 1.00 0.00 O ATOM 475 CB THR A 30 -0.164 8.878 -10.415 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.572 7.707 -11.094 1.00 0.00 O ATOM 477 CG2 THR A 30 -1.382 9.463 -9.704 1.00 0.00 C ATOM 0 H THR A 30 2.208 8.880 -11.784 1.00 0.00 H new ATOM 0 HA THR A 30 -0.421 10.248 -12.039 1.00 0.00 H new ATOM 0 HB THR A 30 0.614 8.647 -9.687 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.932 7.063 -10.449 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.773 8.735 -8.993 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.093 10.370 -9.173 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.152 9.702 -10.438 1.00 0.00 H new ATOM 485 N PRO A 31 1.194 12.228 -11.454 1.00 0.00 N ATOM 486 CA PRO A 31 1.736 13.456 -10.897 1.00 0.00 C ATOM 487 C PRO A 31 0.783 14.008 -9.837 1.00 0.00 C ATOM 488 O PRO A 31 -0.407 13.692 -9.853 1.00 0.00 O ATOM 489 CB PRO A 31 1.892 14.412 -12.082 1.00 0.00 C ATOM 490 CG PRO A 31 0.849 13.913 -13.079 1.00 0.00 C ATOM 491 CD PRO A 31 0.872 12.401 -12.860 1.00 0.00 C ATOM 0 HA PRO A 31 2.694 13.305 -10.400 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.707 15.446 -11.791 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.898 14.373 -12.500 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.136 14.336 -12.881 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.109 14.178 -14.104 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.092 11.953 -13.102 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.615 11.922 -13.497 1.00 0.00 H new ATOM 499 N VAL A 32 1.298 14.830 -8.916 1.00 0.00 N ATOM 500 CA VAL A 32 0.512 15.281 -7.771 1.00 0.00 C ATOM 501 C VAL A 32 0.401 16.800 -7.662 1.00 0.00 C ATOM 502 O VAL A 32 -0.452 17.287 -6.921 1.00 0.00 O ATOM 503 CB VAL A 32 1.084 14.687 -6.482 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.063 13.165 -6.559 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.528 15.122 -6.230 1.00 0.00 C ATOM 0 H VAL A 32 2.251 15.193 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.505 14.920 -7.928 1.00 0.00 H new ATOM 0 HB VAL A 32 0.460 15.052 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.472 12.748 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.037 12.821 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.666 12.835 -7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.887 14.673 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.156 14.795 -7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.572 16.208 -6.148 1.00 0.00 H new ATOM 515 N GLY A 33 1.236 17.561 -8.376 1.00 0.00 N ATOM 516 CA GLY A 33 1.124 19.010 -8.346 1.00 0.00 C ATOM 517 C GLY A 33 2.351 19.721 -8.905 1.00 0.00 C ATOM 518 O GLY A 33 3.334 19.087 -9.295 1.00 0.00 O ATOM 0 H GLY A 33 1.982 17.200 -8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.246 19.312 -8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.962 19.334 -7.318 1.00 0.00 H new ATOM 522 N THR A 34 2.274 21.052 -8.931 1.00 0.00 N ATOM 523 CA THR A 34 3.355 21.935 -9.358 1.00 0.00 C ATOM 524 C THR A 34 3.470 23.088 -8.368 1.00 0.00 C ATOM 525 O THR A 34 2.451 23.597 -7.897 1.00 0.00 O ATOM 526 CB THR A 34 3.080 22.477 -10.766 1.00 0.00 C ATOM 527 OG1 THR A 34 1.828 23.133 -10.795 1.00 0.00 O ATOM 528 CG2 THR A 34 3.054 21.366 -11.814 1.00 0.00 C ATOM 0 H THR A 34 1.434 21.557 -8.648 1.00 0.00 H new ATOM 0 HA THR A 34 4.290 21.376 -9.385 1.00 0.00 H new ATOM 0 HB THR A 34 3.890 23.167 -11.003 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.660 23.478 -11.697 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.856 21.796 -12.796 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.018 20.857 -11.829 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.270 20.651 -11.567 1.00 0.00 H new ATOM 536 N VAL A 35 4.694 23.511 -8.047 1.00 0.00 N ATOM 537 CA VAL A 35 4.923 24.616 -7.123 1.00 0.00 C ATOM 538 C VAL A 35 6.041 25.514 -7.635 1.00 0.00 C ATOM 539 O VAL A 35 6.982 25.047 -8.274 1.00 0.00 O ATOM 540 CB VAL A 35 5.226 24.100 -5.711 1.00 0.00 C ATOM 541 CG1 VAL A 35 4.005 23.389 -5.123 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.403 23.124 -5.700 1.00 0.00 C ATOM 0 H VAL A 35 5.549 23.098 -8.420 1.00 0.00 H new ATOM 0 HA VAL A 35 4.011 25.210 -7.065 1.00 0.00 H new ATOM 0 HB VAL A 35 5.483 24.972 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.240 23.030 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.168 24.085 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.736 22.544 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.584 22.783 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.171 22.268 -6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.294 23.625 -6.078 1.00 0.00 H new ATOM 552 N ASP A 36 5.935 26.815 -7.350 1.00 0.00 N ATOM 553 CA ASP A 36 6.861 27.826 -7.852 1.00 0.00 C ATOM 554 C ASP A 36 8.020 28.081 -6.886 1.00 0.00 C ATOM 555 O ASP A 36 8.861 28.940 -7.151 1.00 0.00 O ATOM 556 CB ASP A 36 6.091 29.121 -8.124 1.00 0.00 C ATOM 557 CG ASP A 36 4.974 28.914 -9.145 1.00 0.00 C ATOM 558 OD1 ASP A 36 3.823 28.700 -8.701 1.00 0.00 O ATOM 559 OD2 ASP A 36 5.280 28.966 -10.357 1.00 0.00 O ATOM 0 H ASP A 36 5.196 27.196 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 36 7.302 27.455 -8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.667 29.494 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.780 29.883 -8.488 1.00 0.00 H new ATOM 564 N THR A 37 8.074 27.351 -5.770 1.00 0.00 N ATOM 565 CA THR A 37 9.141 27.481 -4.784 1.00 0.00 C ATOM 566 C THR A 37 9.288 26.184 -3.999 1.00 0.00 C ATOM 567 O THR A 37 8.350 25.389 -3.915 1.00 0.00 O ATOM 568 CB THR A 37 8.859 28.659 -3.849 1.00 0.00 C ATOM 569 OG1 THR A 37 9.884 28.745 -2.881 1.00 0.00 O ATOM 570 CG2 THR A 37 7.517 28.509 -3.136 1.00 0.00 C ATOM 0 H THR A 37 7.374 26.650 -5.527 1.00 0.00 H new ATOM 0 HA THR A 37 10.081 27.677 -5.301 1.00 0.00 H new ATOM 0 HB THR A 37 8.824 29.564 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.706 29.500 -2.282 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.355 29.366 -2.482 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.716 28.459 -3.874 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.521 27.595 -2.542 1.00 0.00 H new ATOM 578 N VAL A 38 10.469 25.968 -3.414 1.00 0.00 N ATOM 579 CA VAL A 38 10.759 24.767 -2.645 1.00 0.00 C ATOM 580 C VAL A 38 9.989 24.758 -1.327 1.00 0.00 C ATOM 581 O VAL A 38 9.763 23.695 -0.755 1.00 0.00 O ATOM 582 CB VAL A 38 12.264 24.650 -2.386 1.00 0.00 C ATOM 583 CG1 VAL A 38 13.009 24.521 -3.711 1.00 0.00 C ATOM 584 CG2 VAL A 38 12.799 25.867 -1.631 1.00 0.00 C ATOM 0 H VAL A 38 11.248 26.625 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 38 10.436 23.906 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 38 12.427 23.763 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.079 24.438 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.664 23.631 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.817 25.402 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.870 25.750 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.619 26.767 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.290 25.952 -0.671 1.00 0.00 H new ATOM 594 N ALA A 39 9.574 25.932 -0.841 1.00 0.00 N ATOM 595 CA ALA A 39 8.790 26.016 0.381 1.00 0.00 C ATOM 596 C ALA A 39 7.393 25.443 0.145 1.00 0.00 C ATOM 597 O ALA A 39 6.744 24.973 1.080 1.00 0.00 O ATOM 598 CB ALA A 39 8.725 27.477 0.821 1.00 0.00 C ATOM 0 H ALA A 39 9.771 26.832 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 39 9.257 25.429 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.140 27.555 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.734 27.848 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.255 28.072 0.038 1.00 0.00 H new ATOM 604 N GLY A 40 6.923 25.476 -1.107 1.00 0.00 N ATOM 605 CA GLY A 40 5.629 24.924 -1.469 1.00 0.00 C ATOM 606 C GLY A 40 5.712 23.412 -1.635 1.00 0.00 C ATOM 607 O GLY A 40 4.704 22.724 -1.489 1.00 0.00 O ATOM 0 H GLY A 40 7.433 25.886 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.896 25.170 -0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.282 25.378 -2.397 1.00 0.00 H new ATOM 611 N ALA A 41 6.905 22.883 -1.933 1.00 0.00 N ATOM 612 CA ALA A 41 7.087 21.449 -2.081 1.00 0.00 C ATOM 613 C ALA A 41 7.029 20.773 -0.713 1.00 0.00 C ATOM 614 O ALA A 41 6.530 19.655 -0.591 1.00 0.00 O ATOM 615 CB ALA A 41 8.429 21.183 -2.766 1.00 0.00 C ATOM 0 H ALA A 41 7.753 23.432 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 41 6.288 21.035 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.572 20.109 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.437 21.657 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.235 21.594 -2.159 1.00 0.00 H new ATOM 621 N LEU A 42 7.538 21.450 0.321 1.00 0.00 N ATOM 622 CA LEU A 42 7.514 20.931 1.676 1.00 0.00 C ATOM 623 C LEU A 42 6.086 20.995 2.214 1.00 0.00 C ATOM 624 O LEU A 42 5.645 20.096 2.927 1.00 0.00 O ATOM 625 CB LEU A 42 8.514 21.750 2.503 1.00 0.00 C ATOM 626 CG LEU A 42 8.842 21.223 3.910 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.738 21.514 4.923 1.00 0.00 C ATOM 628 CD2 LEU A 42 9.134 19.724 3.895 1.00 0.00 C ATOM 0 H LEU A 42 7.974 22.368 0.235 1.00 0.00 H new ATOM 0 HA LEU A 42 7.813 19.884 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.445 21.819 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.125 22.763 2.601 1.00 0.00 H new ATOM 0 HG LEU A 42 9.737 21.761 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.025 21.119 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.588 22.591 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.812 21.040 4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.362 19.387 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.262 19.187 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.987 19.526 3.246 1.00 0.00 H new ATOM 640 N ALA A 43 5.354 22.059 1.867 1.00 0.00 N ATOM 641 CA ALA A 43 3.991 22.253 2.334 1.00 0.00 C ATOM 642 C ALA A 43 3.023 21.248 1.707 1.00 0.00 C ATOM 643 O ALA A 43 1.984 20.960 2.297 1.00 0.00 O ATOM 644 CB ALA A 43 3.560 23.682 2.013 1.00 0.00 C ATOM 0 H ALA A 43 5.694 22.803 1.257 1.00 0.00 H new ATOM 0 HA ALA A 43 3.965 22.086 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.538 23.840 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.226 24.384 2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.608 23.843 0.936 1.00 0.00 H new ATOM 650 N ARG A 44 3.345 20.709 0.525 1.00 0.00 N ATOM 651 CA ARG A 44 2.498 19.718 -0.128 1.00 0.00 C ATOM 652 C ARG A 44 2.821 18.306 0.355 1.00 0.00 C ATOM 653 O ARG A 44 1.970 17.427 0.255 1.00 0.00 O ATOM 654 CB ARG A 44 2.657 19.824 -1.647 1.00 0.00 C ATOM 655 CG ARG A 44 2.015 21.095 -2.206 1.00 0.00 C ATOM 656 CD ARG A 44 0.497 21.083 -2.018 1.00 0.00 C ATOM 657 NE ARG A 44 -0.121 22.252 -2.650 1.00 0.00 N ATOM 658 CZ ARG A 44 -1.424 22.537 -2.579 1.00 0.00 C ATOM 659 NH1 ARG A 44 -2.256 21.748 -1.905 1.00 0.00 N ATOM 660 NH2 ARG A 44 -1.901 23.619 -3.188 1.00 0.00 N ATOM 0 H ARG A 44 4.189 20.947 0.004 1.00 0.00 H new ATOM 0 HA ARG A 44 1.460 19.922 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.717 19.812 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.205 18.952 -2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.438 21.967 -1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.251 21.188 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.081 20.171 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.259 21.072 -0.954 1.00 0.00 H new ATOM 0 HE ARG A 44 0.480 22.886 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.901 20.915 -1.435 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.249 21.976 -1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.272 24.230 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.896 23.838 -3.134 1.00 0.00 H new ATOM 674 N VAL A 45 4.030 18.081 0.879 1.00 0.00 N ATOM 675 CA VAL A 45 4.384 16.802 1.486 1.00 0.00 C ATOM 676 C VAL A 45 3.812 16.731 2.902 1.00 0.00 C ATOM 677 O VAL A 45 3.521 15.648 3.403 1.00 0.00 O ATOM 678 CB VAL A 45 5.911 16.660 1.503 1.00 0.00 C ATOM 679 CG1 VAL A 45 6.363 15.468 2.347 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.429 16.451 0.080 1.00 0.00 C ATOM 0 H VAL A 45 4.779 18.773 0.893 1.00 0.00 H new ATOM 0 HA VAL A 45 3.962 15.981 0.906 1.00 0.00 H new ATOM 0 HB VAL A 45 6.313 17.576 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.451 15.403 2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.021 15.599 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.940 14.551 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.514 16.351 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.988 15.546 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.154 17.307 -0.537 1.00 0.00 H new ATOM 690 N GLU A 46 3.649 17.886 3.548 1.00 0.00 N ATOM 691 CA GLU A 46 3.096 17.973 4.888 1.00 0.00 C ATOM 692 C GLU A 46 1.565 17.943 4.868 1.00 0.00 C ATOM 693 O GLU A 46 0.937 17.737 5.907 1.00 0.00 O ATOM 694 CB GLU A 46 3.651 19.230 5.560 1.00 0.00 C ATOM 695 CG GLU A 46 3.411 19.212 7.069 1.00 0.00 C ATOM 696 CD GLU A 46 4.224 20.309 7.750 1.00 0.00 C ATOM 697 OE1 GLU A 46 3.613 21.314 8.175 1.00 0.00 O ATOM 698 OE2 GLU A 46 5.459 20.128 7.841 1.00 0.00 O ATOM 0 H GLU A 46 3.901 18.790 3.148 1.00 0.00 H new ATOM 0 HA GLU A 46 3.396 17.102 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.720 19.308 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.181 20.113 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.350 19.354 7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.688 18.239 7.476 1.00 0.00 H new ATOM 705 N ASP A 47 0.961 18.148 3.693 1.00 0.00 N ATOM 706 CA ASP A 47 -0.489 18.210 3.544 1.00 0.00 C ATOM 707 C ASP A 47 -1.052 16.972 2.836 1.00 0.00 C ATOM 708 O ASP A 47 -2.265 16.757 2.838 1.00 0.00 O ATOM 709 CB ASP A 47 -0.846 19.496 2.796 1.00 0.00 C ATOM 710 CG ASP A 47 -2.356 19.700 2.696 1.00 0.00 C ATOM 711 OD1 ASP A 47 -2.861 19.724 1.552 1.00 0.00 O ATOM 712 OD2 ASP A 47 -2.994 19.831 3.765 1.00 0.00 O ATOM 0 H ASP A 47 1.469 18.276 2.818 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.947 18.221 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.398 20.348 3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.418 19.463 1.794 1.00 0.00 H new ATOM 717 N GLY A 48 -0.188 16.150 2.230 1.00 0.00 N ATOM 718 CA GLY A 48 -0.624 14.953 1.528 1.00 0.00 C ATOM 719 C GLY A 48 0.551 14.041 1.190 1.00 0.00 C ATOM 720 O GLY A 48 1.708 14.451 1.266 1.00 0.00 O ATOM 0 H GLY A 48 0.821 16.299 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.341 14.410 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.141 15.236 0.611 1.00 0.00 H new ATOM 724 N GLY A 49 0.253 12.795 0.814 1.00 0.00 N ATOM 725 CA GLY A 49 1.276 11.812 0.491 1.00 0.00 C ATOM 726 C GLY A 49 1.885 12.066 -0.885 1.00 0.00 C ATOM 727 O GLY A 49 1.169 12.344 -1.847 1.00 0.00 O ATOM 0 H GLY A 49 -0.701 12.446 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.060 11.840 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.842 10.812 0.519 1.00 0.00 H new ATOM 731 N ILE A 50 3.216 11.967 -0.965 1.00 0.00 N ATOM 732 CA ILE A 50 3.991 12.127 -2.191 1.00 0.00 C ATOM 733 C ILE A 50 5.164 11.154 -2.117 1.00 0.00 C ATOM 734 O ILE A 50 5.683 10.906 -1.029 1.00 0.00 O ATOM 735 CB ILE A 50 4.468 13.582 -2.337 1.00 0.00 C ATOM 736 CG1 ILE A 50 3.255 14.524 -2.379 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.317 13.735 -3.606 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.637 15.984 -2.603 1.00 0.00 C ATOM 0 H ILE A 50 3.798 11.767 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 50 3.385 11.907 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 50 5.086 13.846 -1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.582 14.205 -3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.704 14.439 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.649 14.769 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.185 13.079 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.720 13.466 -4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.736 16.597 -2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.286 16.319 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.162 16.081 -3.553 1.00 0.00 H new ATOM 750 N ASP A 51 5.591 10.598 -3.254 1.00 0.00 N ATOM 751 CA ASP A 51 6.618 9.565 -3.246 1.00 0.00 C ATOM 752 C ASP A 51 7.994 10.107 -3.621 1.00 0.00 C ATOM 753 O ASP A 51 9.003 9.592 -3.142 1.00 0.00 O ATOM 754 CB ASP A 51 6.220 8.443 -4.195 1.00 0.00 C ATOM 755 CG ASP A 51 4.925 7.755 -3.778 1.00 0.00 C ATOM 756 OD1 ASP A 51 4.732 7.572 -2.552 1.00 0.00 O ATOM 757 OD2 ASP A 51 4.137 7.414 -4.687 1.00 0.00 O ATOM 0 H ASP A 51 5.243 10.846 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 51 6.693 9.184 -2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.105 8.846 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.022 7.706 -4.237 1.00 0.00 H new ATOM 762 N ALA A 52 8.050 11.139 -4.469 1.00 0.00 N ATOM 763 CA ALA A 52 9.304 11.754 -4.872 1.00 0.00 C ATOM 764 C ALA A 52 9.051 13.143 -5.455 1.00 0.00 C ATOM 765 O ALA A 52 7.903 13.543 -5.637 1.00 0.00 O ATOM 766 CB ALA A 52 9.981 10.857 -5.907 1.00 0.00 C ATOM 0 H ALA A 52 7.225 11.566 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 52 9.954 11.866 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.924 11.307 -6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.174 9.878 -5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.329 10.745 -6.773 1.00 0.00 H new ATOM 772 N ALA A 53 10.122 13.890 -5.745 1.00 0.00 N ATOM 773 CA ALA A 53 9.993 15.217 -6.334 1.00 0.00 C ATOM 774 C ALA A 53 11.164 15.550 -7.256 1.00 0.00 C ATOM 775 O ALA A 53 12.242 14.964 -7.144 1.00 0.00 O ATOM 776 CB ALA A 53 9.890 16.254 -5.213 1.00 0.00 C ATOM 0 H ALA A 53 11.084 13.594 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 53 9.090 15.234 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.793 17.250 -5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.016 16.039 -4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.787 16.213 -4.596 1.00 0.00 H new ATOM 782 N ILE A 54 10.943 16.499 -8.169 1.00 0.00 N ATOM 783 CA ILE A 54 11.966 17.020 -9.061 1.00 0.00 C ATOM 784 C ILE A 54 12.207 18.483 -8.700 1.00 0.00 C ATOM 785 O ILE A 54 11.258 19.262 -8.621 1.00 0.00 O ATOM 786 CB ILE A 54 11.526 16.873 -10.523 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.201 15.417 -10.884 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.615 17.419 -11.453 1.00 0.00 C ATOM 789 CD1 ILE A 54 12.394 14.472 -10.737 1.00 0.00 C ATOM 0 H ILE A 54 10.029 16.931 -8.307 1.00 0.00 H new ATOM 0 HA ILE A 54 12.893 16.458 -8.946 1.00 0.00 H new ATOM 0 HB ILE A 54 10.611 17.451 -10.652 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.389 15.066 -10.248 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.841 15.377 -11.912 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.296 17.311 -12.490 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.786 18.473 -11.234 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.539 16.862 -11.298 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.092 13.460 -11.008 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.200 14.799 -11.394 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.741 14.482 -9.704 1.00 0.00 H new ATOM 801 N LEU A 55 13.470 18.853 -8.482 1.00 0.00 N ATOM 802 CA LEU A 55 13.840 20.173 -8.007 1.00 0.00 C ATOM 803 C LEU A 55 14.681 20.893 -9.054 1.00 0.00 C ATOM 804 O LEU A 55 15.761 20.420 -9.404 1.00 0.00 O ATOM 805 CB LEU A 55 14.663 20.026 -6.717 1.00 0.00 C ATOM 806 CG LEU A 55 13.860 19.811 -5.429 1.00 0.00 C ATOM 807 CD1 LEU A 55 13.120 21.096 -5.067 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.850 18.671 -5.522 1.00 0.00 C ATOM 0 H LEU A 55 14.267 18.234 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 55 12.936 20.752 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.347 19.186 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.274 20.920 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 55 14.582 19.539 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.550 20.942 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.840 21.900 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.441 21.365 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.319 18.577 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.136 18.881 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.372 17.739 -5.739 1.00 0.00 H new ATOM 820 N ASP A 56 14.206 22.036 -9.556 1.00 0.00 N ATOM 821 CA ASP A 56 15.060 22.872 -10.386 1.00 0.00 C ATOM 822 C ASP A 56 16.020 23.640 -9.474 1.00 0.00 C ATOM 823 O ASP A 56 15.642 24.019 -8.365 1.00 0.00 O ATOM 824 CB ASP A 56 14.213 23.791 -11.262 1.00 0.00 C ATOM 825 CG ASP A 56 15.068 24.439 -12.347 1.00 0.00 C ATOM 826 OD1 ASP A 56 15.059 23.908 -13.481 1.00 0.00 O ATOM 827 OD2 ASP A 56 15.724 25.457 -12.035 1.00 0.00 O ATOM 0 H ASP A 56 13.262 22.392 -9.405 1.00 0.00 H new ATOM 0 HA ASP A 56 15.653 22.262 -11.068 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.405 23.221 -11.721 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.750 24.563 -10.647 1.00 0.00 H new ATOM 832 N VAL A 57 17.255 23.877 -9.922 1.00 0.00 N ATOM 833 CA VAL A 57 18.265 24.507 -9.072 1.00 0.00 C ATOM 834 C VAL A 57 18.057 26.011 -8.935 1.00 0.00 C ATOM 835 O VAL A 57 18.689 26.639 -8.088 1.00 0.00 O ATOM 836 CB VAL A 57 19.676 24.201 -9.585 1.00 0.00 C ATOM 837 CG1 VAL A 57 19.901 22.689 -9.657 1.00 0.00 C ATOM 838 CG2 VAL A 57 19.919 24.822 -10.959 1.00 0.00 C ATOM 0 H VAL A 57 17.577 23.644 -10.861 1.00 0.00 H new ATOM 0 HA VAL A 57 18.152 24.078 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 57 20.383 24.640 -8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.908 22.488 -10.023 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.783 22.256 -8.664 1.00 0.00 H new ATOM 0 HG13 VAL A 57 19.173 22.245 -10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.929 24.585 -11.292 1.00 0.00 H new ATOM 0 HG22 VAL A 57 19.199 24.421 -11.672 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.803 25.904 -10.895 1.00 0.00 H new ATOM 848 N ASN A 58 17.183 26.602 -9.754 1.00 0.00 N ATOM 849 CA ASN A 58 16.891 28.022 -9.661 1.00 0.00 C ATOM 850 C ASN A 58 15.827 28.250 -8.586 1.00 0.00 C ATOM 851 O ASN A 58 14.887 27.464 -8.470 1.00 0.00 O ATOM 852 CB ASN A 58 16.446 28.533 -11.033 1.00 0.00 C ATOM 853 CG ASN A 58 16.303 30.050 -11.079 1.00 0.00 C ATOM 854 OD1 ASN A 58 16.760 30.755 -10.185 1.00 0.00 O ATOM 855 ND2 ASN A 58 15.667 30.556 -12.129 1.00 0.00 N ATOM 0 H ASN A 58 16.669 26.113 -10.487 1.00 0.00 H new ATOM 0 HA ASN A 58 17.780 28.582 -9.369 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.169 28.218 -11.785 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.493 28.074 -11.295 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.544 31.565 -12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.301 29.936 -12.851 1.00 0.00 H new ATOM 967 N THR A 66 19.687 24.311 -3.150 1.00 0.00 N ATOM 968 CA THR A 66 18.386 23.714 -2.863 1.00 0.00 C ATOM 969 C THR A 66 18.427 23.055 -1.484 1.00 0.00 C ATOM 970 O THR A 66 18.338 21.834 -1.374 1.00 0.00 O ATOM 971 CB THR A 66 18.031 22.689 -3.950 1.00 0.00 C ATOM 972 OG1 THR A 66 18.267 23.225 -5.235 1.00 0.00 O ATOM 973 CG2 THR A 66 16.555 22.306 -3.859 1.00 0.00 C ATOM 0 HA THR A 66 17.617 24.486 -2.860 1.00 0.00 H new ATOM 0 HB THR A 66 18.657 21.811 -3.793 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.958 23.917 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.319 21.579 -4.636 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.352 21.870 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.939 23.195 -3.995 1.00 0.00 H new ATOM 981 N PRO A 67 18.569 23.846 -0.410 1.00 0.00 N ATOM 982 CA PRO A 67 18.760 23.344 0.942 1.00 0.00 C ATOM 983 C PRO A 67 17.498 22.693 1.508 1.00 0.00 C ATOM 984 O PRO A 67 17.558 22.035 2.543 1.00 0.00 O ATOM 985 CB PRO A 67 19.158 24.575 1.757 1.00 0.00 C ATOM 986 CG PRO A 67 18.449 25.719 1.032 1.00 0.00 C ATOM 987 CD PRO A 67 18.566 25.297 -0.428 1.00 0.00 C ATOM 0 HA PRO A 67 19.515 22.559 0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 67 18.833 24.493 2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.239 24.716 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 67 17.410 25.817 1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.930 26.679 1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.732 25.681 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.479 25.686 -0.878 1.00 0.00 H new ATOM 995 N VAL A 68 16.350 22.867 0.847 1.00 0.00 N ATOM 996 CA VAL A 68 15.094 22.281 1.300 1.00 0.00 C ATOM 997 C VAL A 68 14.959 20.841 0.802 1.00 0.00 C ATOM 998 O VAL A 68 14.143 20.081 1.319 1.00 0.00 O ATOM 999 CB VAL A 68 13.930 23.171 0.851 1.00 0.00 C ATOM 1000 CG1 VAL A 68 12.583 22.611 1.309 1.00 0.00 C ATOM 1001 CG2 VAL A 68 14.088 24.563 1.465 1.00 0.00 C ATOM 0 H VAL A 68 16.269 23.414 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 68 15.078 22.233 2.389 1.00 0.00 H new ATOM 0 HB VAL A 68 13.950 23.211 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.782 23.269 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.439 21.617 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.567 22.547 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.261 25.197 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.087 24.483 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.030 25.002 1.135 1.00 0.00 H new ATOM 1011 N ALA A 69 15.752 20.448 -0.201 1.00 0.00 N ATOM 1012 CA ALA A 69 15.715 19.083 -0.695 1.00 0.00 C ATOM 1013 C ALA A 69 16.203 18.121 0.387 1.00 0.00 C ATOM 1014 O ALA A 69 15.798 16.963 0.424 1.00 0.00 O ATOM 1015 CB ALA A 69 16.591 18.973 -1.943 1.00 0.00 C ATOM 0 H ALA A 69 16.419 21.055 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 69 14.690 18.817 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.565 17.949 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.216 19.649 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.617 19.242 -1.692 1.00 0.00 H new ATOM 1021 N GLU A 70 17.075 18.601 1.276 1.00 0.00 N ATOM 1022 CA GLU A 70 17.626 17.784 2.347 1.00 0.00 C ATOM 1023 C GLU A 70 16.588 17.570 3.449 1.00 0.00 C ATOM 1024 O GLU A 70 16.733 16.657 4.258 1.00 0.00 O ATOM 1025 CB GLU A 70 18.881 18.455 2.895 1.00 0.00 C ATOM 1026 CG GLU A 70 19.930 18.611 1.794 1.00 0.00 C ATOM 1027 CD GLU A 70 21.164 19.339 2.325 1.00 0.00 C ATOM 1028 OE1 GLU A 70 21.161 20.591 2.270 1.00 0.00 O ATOM 1029 OE2 GLU A 70 22.100 18.644 2.779 1.00 0.00 O ATOM 0 H GLU A 70 17.415 19.563 1.270 1.00 0.00 H new ATOM 0 HA GLU A 70 17.893 16.803 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 70 18.628 19.433 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.290 17.862 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.215 17.630 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.506 19.166 0.957 1.00 0.00 H new ATOM 1036 N ALA A 71 15.541 18.402 3.488 1.00 0.00 N ATOM 1037 CA ALA A 71 14.450 18.212 4.427 1.00 0.00 C ATOM 1038 C ALA A 71 13.507 17.138 3.888 1.00 0.00 C ATOM 1039 O ALA A 71 12.877 16.417 4.660 1.00 0.00 O ATOM 1040 CB ALA A 71 13.724 19.541 4.640 1.00 0.00 C ATOM 0 H ALA A 71 15.434 19.211 2.876 1.00 0.00 H new ATOM 0 HA ALA A 71 14.832 17.879 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.905 19.399 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 71 14.422 20.277 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.327 19.895 3.689 1.00 0.00 H new ATOM 1046 N LEU A 72 13.409 17.024 2.562 1.00 0.00 N ATOM 1047 CA LEU A 72 12.631 15.957 1.956 1.00 0.00 C ATOM 1048 C LEU A 72 13.360 14.629 2.156 1.00 0.00 C ATOM 1049 O LEU A 72 12.722 13.592 2.325 1.00 0.00 O ATOM 1050 CB LEU A 72 12.423 16.244 0.465 1.00 0.00 C ATOM 1051 CG LEU A 72 11.675 17.558 0.218 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.521 17.773 -1.286 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.287 17.539 0.855 1.00 0.00 C ATOM 0 H LEU A 72 13.857 17.655 1.897 1.00 0.00 H new ATOM 0 HA LEU A 72 11.652 15.898 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.392 16.282 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.866 15.423 0.015 1.00 0.00 H new ATOM 0 HG LEU A 72 12.252 18.366 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.989 18.707 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.506 17.821 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.957 16.945 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.784 18.486 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.702 16.724 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.382 17.393 1.931 1.00 0.00 H new ATOM 1065 N ALA A 73 14.696 14.656 2.147 1.00 0.00 N ATOM 1066 CA ALA A 73 15.495 13.464 2.395 1.00 0.00 C ATOM 1067 C ALA A 73 15.429 13.064 3.870 1.00 0.00 C ATOM 1068 O ALA A 73 15.656 11.905 4.209 1.00 0.00 O ATOM 1069 CB ALA A 73 16.936 13.727 1.960 1.00 0.00 C ATOM 0 H ALA A 73 15.244 15.498 1.969 1.00 0.00 H new ATOM 0 HA ALA A 73 15.095 12.633 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.539 12.838 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 73 16.957 13.967 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.341 14.564 2.529 1.00 0.00 H new ATOM 1075 N ALA A 74 15.115 14.018 4.753 1.00 0.00 N ATOM 1076 CA ALA A 74 14.914 13.732 6.164 1.00 0.00 C ATOM 1077 C ALA A 74 13.524 13.128 6.382 1.00 0.00 C ATOM 1078 O ALA A 74 13.262 12.534 7.427 1.00 0.00 O ATOM 1079 CB ALA A 74 15.100 15.018 6.967 1.00 0.00 C ATOM 0 H ALA A 74 14.995 15.000 4.505 1.00 0.00 H new ATOM 0 HA ALA A 74 15.648 13.002 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.950 14.810 8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.108 15.402 6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.374 15.761 6.637 1.00 0.00 H new ATOM 1085 N ARG A 75 12.640 13.286 5.387 1.00 0.00 N ATOM 1086 CA ARG A 75 11.321 12.665 5.371 1.00 0.00 C ATOM 1087 C ARG A 75 11.327 11.407 4.495 1.00 0.00 C ATOM 1088 O ARG A 75 10.269 10.922 4.103 1.00 0.00 O ATOM 1089 CB ARG A 75 10.256 13.678 4.938 1.00 0.00 C ATOM 1090 CG ARG A 75 10.130 14.789 5.983 1.00 0.00 C ATOM 1091 CD ARG A 75 9.042 15.779 5.577 1.00 0.00 C ATOM 1092 NE ARG A 75 8.878 16.818 6.600 1.00 0.00 N ATOM 1093 CZ ARG A 75 7.856 17.679 6.643 1.00 0.00 C ATOM 1094 NH1 ARG A 75 6.900 17.653 5.719 1.00 0.00 N ATOM 1095 NH2 ARG A 75 7.782 18.578 7.617 1.00 0.00 N ATOM 0 H ARG A 75 12.829 13.857 4.563 1.00 0.00 H new ATOM 0 HA ARG A 75 11.065 12.346 6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.522 14.106 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.296 13.177 4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.893 14.357 6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.083 15.308 6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.299 16.239 4.623 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.099 15.252 5.433 1.00 0.00 H new ATOM 0 HE ARG A 75 9.591 16.888 7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.940 16.969 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.127 18.317 5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.506 18.613 8.335 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.001 19.234 7.648 1.00 0.00 H new ATOM 1109 N ASP A 76 12.522 10.887 4.193 1.00 0.00 N ATOM 1110 CA ASP A 76 12.725 9.688 3.384 1.00 0.00 C ATOM 1111 C ASP A 76 12.153 9.799 1.965 1.00 0.00 C ATOM 1112 O ASP A 76 11.816 8.785 1.358 1.00 0.00 O ATOM 1113 CB ASP A 76 12.235 8.443 4.131 1.00 0.00 C ATOM 1114 CG ASP A 76 12.914 8.299 5.489 1.00 0.00 C ATOM 1115 OD1 ASP A 76 12.219 8.509 6.508 1.00 0.00 O ATOM 1116 OD2 ASP A 76 14.124 7.982 5.500 1.00 0.00 O ATOM 0 H ASP A 76 13.396 11.303 4.515 1.00 0.00 H new ATOM 0 HA ASP A 76 13.800 9.584 3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.155 8.502 4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.432 7.556 3.529 1.00 0.00 H new ATOM 1121 N ILE A 77 12.042 11.019 1.430 1.00 0.00 N ATOM 1122 CA ILE A 77 11.590 11.245 0.062 1.00 0.00 C ATOM 1123 C ILE A 77 12.790 11.613 -0.816 1.00 0.00 C ATOM 1124 O ILE A 77 13.479 12.593 -0.529 1.00 0.00 O ATOM 1125 CB ILE A 77 10.513 12.337 0.036 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.293 11.871 0.839 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.112 12.645 -1.409 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.188 12.925 0.849 1.00 0.00 C ATOM 0 H ILE A 77 12.264 11.876 1.937 1.00 0.00 H new ATOM 0 HA ILE A 77 11.143 10.334 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 77 10.910 13.247 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.909 10.945 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.594 11.649 1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.347 13.421 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.985 12.990 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.718 11.743 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.340 12.558 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.565 13.843 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.869 13.127 -0.173 1.00 0.00 H new ATOM 1140 N PRO A 78 13.053 10.847 -1.883 1.00 0.00 N ATOM 1141 CA PRO A 78 14.151 11.093 -2.804 1.00 0.00 C ATOM 1142 C PRO A 78 13.845 12.263 -3.739 1.00 0.00 C ATOM 1143 O PRO A 78 12.687 12.630 -3.938 1.00 0.00 O ATOM 1144 CB PRO A 78 14.308 9.790 -3.583 1.00 0.00 C ATOM 1145 CG PRO A 78 12.877 9.267 -3.645 1.00 0.00 C ATOM 1146 CD PRO A 78 12.314 9.664 -2.282 1.00 0.00 C ATOM 0 HA PRO A 78 15.066 11.369 -2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.721 9.959 -4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.974 9.092 -3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.316 9.720 -4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.847 8.188 -3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.246 9.872 -2.345 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.440 8.860 -1.557 1.00 0.00 H new ATOM 1154 N PHE A 79 14.898 12.845 -4.319 1.00 0.00 N ATOM 1155 CA PHE A 79 14.765 13.969 -5.233 1.00 0.00 C ATOM 1156 C PHE A 79 15.847 13.938 -6.309 1.00 0.00 C ATOM 1157 O PHE A 79 16.847 13.232 -6.181 1.00 0.00 O ATOM 1158 CB PHE A 79 14.827 15.276 -4.439 1.00 0.00 C ATOM 1159 CG PHE A 79 16.125 15.496 -3.690 1.00 0.00 C ATOM 1160 CD1 PHE A 79 17.275 15.911 -4.378 1.00 0.00 C ATOM 1161 CD2 PHE A 79 16.176 15.289 -2.303 1.00 0.00 C ATOM 1162 CE1 PHE A 79 18.471 16.123 -3.679 1.00 0.00 C ATOM 1163 CE2 PHE A 79 17.371 15.518 -1.606 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.516 15.932 -2.293 1.00 0.00 C ATOM 0 H PHE A 79 15.861 12.547 -4.165 1.00 0.00 H new ATOM 0 HA PHE A 79 13.802 13.899 -5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.672 16.110 -5.124 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.003 15.292 -3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.239 16.067 -5.446 1.00 0.00 H new ATOM 0 HD2 PHE A 79 15.296 14.954 -1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 79 19.359 16.434 -4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 79 17.407 15.374 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.436 16.105 -1.754 1.00 0.00 H new ATOM 1174 N VAL A 80 15.640 14.719 -7.375 1.00 0.00 N ATOM 1175 CA VAL A 80 16.575 14.849 -8.485 1.00 0.00 C ATOM 1176 C VAL A 80 16.686 16.325 -8.861 1.00 0.00 C ATOM 1177 O VAL A 80 15.695 17.050 -8.792 1.00 0.00 O ATOM 1178 CB VAL A 80 16.084 14.016 -9.676 1.00 0.00 C ATOM 1179 CG1 VAL A 80 17.058 14.118 -10.850 1.00 0.00 C ATOM 1180 CG2 VAL A 80 15.942 12.541 -9.292 1.00 0.00 C ATOM 0 H VAL A 80 14.800 15.287 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 80 17.559 14.479 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 80 15.112 14.414 -9.968 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.689 13.519 -11.682 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.144 15.159 -11.162 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.037 13.749 -10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.593 11.973 -10.154 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.909 12.154 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.223 12.444 -8.478 1.00 0.00 H new ATOM 1190 N PHE A 81 17.880 16.776 -9.258 1.00 0.00 N ATOM 1191 CA PHE A 81 18.099 18.165 -9.636 1.00 0.00 C ATOM 1192 C PHE A 81 17.874 18.369 -11.133 1.00 0.00 C ATOM 1193 O PHE A 81 17.992 17.433 -11.921 1.00 0.00 O ATOM 1194 CB PHE A 81 19.515 18.599 -9.260 1.00 0.00 C ATOM 1195 CG PHE A 81 19.855 18.611 -7.784 1.00 0.00 C ATOM 1196 CD1 PHE A 81 18.868 18.805 -6.803 1.00 0.00 C ATOM 1197 CD2 PHE A 81 21.191 18.441 -7.393 1.00 0.00 C ATOM 1198 CE1 PHE A 81 19.216 18.837 -5.446 1.00 0.00 C ATOM 1199 CE2 PHE A 81 21.540 18.470 -6.034 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.552 18.672 -5.063 1.00 0.00 C ATOM 0 H PHE A 81 18.712 16.190 -9.324 1.00 0.00 H new ATOM 0 HA PHE A 81 17.380 18.778 -9.093 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.219 17.938 -9.766 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.679 19.602 -9.655 1.00 0.00 H new ATOM 0 HD1 PHE A 81 17.836 18.930 -7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 81 21.955 18.287 -8.141 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.454 18.989 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.570 18.337 -5.738 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.821 18.701 -4.017 1.00 0.00 H new ATOM 1210 N ALA A 82 17.553 19.605 -11.525 1.00 0.00 N ATOM 1211 CA ALA A 82 17.419 19.987 -12.920 1.00 0.00 C ATOM 1212 C ALA A 82 18.039 21.371 -13.127 1.00 0.00 C ATOM 1213 O ALA A 82 17.793 22.288 -12.344 1.00 0.00 O ATOM 1214 CB ALA A 82 15.943 19.969 -13.321 1.00 0.00 C ATOM 0 H ALA A 82 17.379 20.369 -10.873 1.00 0.00 H new ATOM 0 HA ALA A 82 17.947 19.276 -13.556 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.847 20.256 -14.368 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.540 18.966 -13.181 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.389 20.672 -12.700 1.00 0.00 H new ATOM 1220 N THR A 83 18.846 21.523 -14.180 1.00 0.00 N ATOM 1221 CA THR A 83 19.594 22.750 -14.431 1.00 0.00 C ATOM 1222 C THR A 83 19.920 22.902 -15.913 1.00 0.00 C ATOM 1223 O THR A 83 19.744 21.970 -16.697 1.00 0.00 O ATOM 1224 CB THR A 83 20.882 22.726 -13.603 1.00 0.00 C ATOM 1225 OG1 THR A 83 21.576 23.943 -13.765 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.797 21.575 -14.023 1.00 0.00 C ATOM 0 H THR A 83 18.997 20.797 -14.880 1.00 0.00 H new ATOM 0 HA THR A 83 18.983 23.604 -14.139 1.00 0.00 H new ATOM 0 HB THR A 83 20.602 22.585 -12.559 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.398 23.924 -13.232 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.701 21.589 -13.415 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.278 20.627 -13.881 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.065 21.688 -15.074 1.00 0.00 H new ATOM 1234 N GLY A 84 20.396 24.087 -16.302 1.00 0.00 N ATOM 1235 CA GLY A 84 20.828 24.361 -17.663 1.00 0.00 C ATOM 1236 C GLY A 84 21.950 25.390 -17.644 1.00 0.00 C ATOM 1237 O GLY A 84 21.751 26.520 -17.190 1.00 0.00 O ATOM 0 H GLY A 84 20.491 24.884 -15.673 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.171 23.442 -18.138 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.990 24.732 -18.254 1.00 0.00 H new ATOM 1241 N GLY A 85 23.128 24.998 -18.134 1.00 0.00 N ATOM 1242 CA GLY A 85 24.311 25.847 -18.128 1.00 0.00 C ATOM 1243 C GLY A 85 25.572 24.990 -18.043 1.00 0.00 C ATOM 1244 O GLY A 85 25.566 23.830 -18.451 1.00 0.00 O ATOM 0 H GLY A 85 23.284 24.078 -18.547 1.00 0.00 H new ATOM 0 HA2 GLY A 85 24.336 26.456 -19.032 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.271 26.534 -17.282 1.00 0.00 H new ATOM 1248 N SER A 86 26.652 25.564 -17.509 1.00 0.00 N ATOM 1249 CA SER A 86 27.901 24.844 -17.294 1.00 0.00 C ATOM 1250 C SER A 86 27.743 23.835 -16.161 1.00 0.00 C ATOM 1251 O SER A 86 26.816 23.938 -15.359 1.00 0.00 O ATOM 1252 CB SER A 86 29.021 25.833 -16.978 1.00 0.00 C ATOM 1253 OG SER A 86 29.163 26.757 -18.036 1.00 0.00 O ATOM 0 H SER A 86 26.682 26.540 -17.215 1.00 0.00 H new ATOM 0 HA SER A 86 28.158 24.300 -18.203 1.00 0.00 H new ATOM 0 HB2 SER A 86 28.800 26.361 -16.050 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.958 25.297 -16.824 1.00 0.00 H new ATOM 0 HG SER A 86 29.882 27.388 -17.825 1.00 0.00 H new ATOM 1259 N ASP A 87 28.650 22.858 -16.089 1.00 0.00 N ATOM 1260 CA ASP A 87 28.605 21.813 -15.073 1.00 0.00 C ATOM 1261 C ASP A 87 29.501 22.138 -13.874 1.00 0.00 C ATOM 1262 O ASP A 87 29.545 21.372 -12.910 1.00 0.00 O ATOM 1263 CB ASP A 87 28.992 20.473 -15.705 1.00 0.00 C ATOM 1264 CG ASP A 87 30.457 20.451 -16.138 1.00 0.00 C ATOM 1265 OD1 ASP A 87 30.798 21.210 -17.070 1.00 0.00 O ATOM 1266 OD2 ASP A 87 31.224 19.671 -15.527 1.00 0.00 O ATOM 0 H ASP A 87 29.435 22.772 -16.735 1.00 0.00 H new ATOM 0 HA ASP A 87 27.586 21.750 -14.690 1.00 0.00 H new ATOM 0 HB2 ASP A 87 28.812 19.669 -14.991 1.00 0.00 H new ATOM 0 HB3 ASP A 87 28.355 20.281 -16.568 1.00 0.00 H new ATOM 1271 N ASP A 88 30.210 23.266 -13.925 1.00 0.00 N ATOM 1272 CA ASP A 88 31.134 23.677 -12.875 1.00 0.00 C ATOM 1273 C ASP A 88 30.516 24.738 -11.962 1.00 0.00 C ATOM 1274 O ASP A 88 31.162 25.208 -11.027 1.00 0.00 O ATOM 1275 CB ASP A 88 32.433 24.163 -13.527 1.00 0.00 C ATOM 1276 CG ASP A 88 33.519 24.437 -12.491 1.00 0.00 C ATOM 1277 OD1 ASP A 88 33.876 23.485 -11.761 1.00 0.00 O ATOM 1278 OD2 ASP A 88 33.987 25.597 -12.437 1.00 0.00 O ATOM 0 H ASP A 88 30.157 23.923 -14.703 1.00 0.00 H new ATOM 0 HA ASP A 88 31.356 22.825 -12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 88 32.787 23.414 -14.235 1.00 0.00 H new ATOM 0 HB3 ASP A 88 32.236 25.071 -14.096 1.00 0.00 H new ATOM 1283 N SER A 89 29.262 25.123 -12.228 1.00 0.00 N ATOM 1284 CA SER A 89 28.562 26.139 -11.452 1.00 0.00 C ATOM 1285 C SER A 89 27.835 25.543 -10.246 1.00 0.00 C ATOM 1286 O SER A 89 27.114 26.256 -9.547 1.00 0.00 O ATOM 1287 CB SER A 89 27.592 26.892 -12.361 1.00 0.00 C ATOM 1288 OG SER A 89 26.639 25.989 -12.887 1.00 0.00 O ATOM 0 H SER A 89 28.708 24.734 -12.991 1.00 0.00 H new ATOM 0 HA SER A 89 29.301 26.835 -11.055 1.00 0.00 H new ATOM 0 HB2 SER A 89 27.090 27.681 -11.801 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.137 27.375 -13.172 1.00 0.00 H new ATOM 0 HG SER A 89 27.015 25.537 -13.671 1.00 0.00 H new ATOM 1294 N VAL A 90 28.020 24.244 -9.997 1.00 0.00 N ATOM 1295 CA VAL A 90 27.351 23.529 -8.918 1.00 0.00 C ATOM 1296 C VAL A 90 28.351 22.866 -7.969 1.00 0.00 C ATOM 1297 O VAL A 90 29.477 22.558 -8.351 1.00 0.00 O ATOM 1298 CB VAL A 90 26.370 22.490 -9.471 1.00 0.00 C ATOM 1299 CG1 VAL A 90 25.130 23.147 -10.074 1.00 0.00 C ATOM 1300 CG2 VAL A 90 27.030 21.581 -10.508 1.00 0.00 C ATOM 0 H VAL A 90 28.646 23.657 -10.548 1.00 0.00 H new ATOM 0 HA VAL A 90 26.789 24.267 -8.346 1.00 0.00 H new ATOM 0 HB VAL A 90 26.060 21.879 -8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 90 24.459 22.377 -10.455 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.617 23.728 -9.308 1.00 0.00 H new ATOM 0 HG13 VAL A 90 25.428 23.805 -10.890 1.00 0.00 H new ATOM 0 HG21 VAL A 90 26.301 20.859 -10.875 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.395 22.183 -11.340 1.00 0.00 H new ATOM 0 HG23 VAL A 90 27.865 21.052 -10.049 1.00 0.00 H new ATOM 1310 N ASP A 91 27.918 22.656 -6.722 1.00 0.00 N ATOM 1311 CA ASP A 91 28.722 22.058 -5.665 1.00 0.00 C ATOM 1312 C ASP A 91 28.798 20.532 -5.806 1.00 0.00 C ATOM 1313 O ASP A 91 28.102 19.929 -6.621 1.00 0.00 O ATOM 1314 CB ASP A 91 28.127 22.481 -4.320 1.00 0.00 C ATOM 1315 CG ASP A 91 28.960 21.989 -3.139 1.00 0.00 C ATOM 1316 OD1 ASP A 91 28.467 21.095 -2.416 1.00 0.00 O ATOM 1317 OD2 ASP A 91 30.085 22.509 -2.974 1.00 0.00 O ATOM 0 H ASP A 91 26.977 22.905 -6.418 1.00 0.00 H new ATOM 0 HA ASP A 91 29.750 22.413 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 91 28.054 23.568 -4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 91 27.113 22.090 -4.235 1.00 0.00 H new ATOM 1322 N SER A 92 29.650 19.895 -4.997 1.00 0.00 N ATOM 1323 CA SER A 92 29.875 18.457 -5.050 1.00 0.00 C ATOM 1324 C SER A 92 28.608 17.654 -4.758 1.00 0.00 C ATOM 1325 O SER A 92 28.550 16.471 -5.093 1.00 0.00 O ATOM 1326 CB SER A 92 30.969 18.087 -4.050 1.00 0.00 C ATOM 1327 OG SER A 92 32.152 18.802 -4.350 1.00 0.00 O ATOM 0 H SER A 92 30.204 20.370 -4.284 1.00 0.00 H new ATOM 0 HA SER A 92 30.183 18.204 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 92 30.641 18.317 -3.036 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.161 17.015 -4.087 1.00 0.00 H new ATOM 0 HG SER A 92 32.851 18.563 -3.706 1.00 0.00 H new ATOM 1333 N ARG A 93 27.585 18.265 -4.145 1.00 0.00 N ATOM 1334 CA ARG A 93 26.328 17.563 -3.898 1.00 0.00 C ATOM 1335 C ARG A 93 25.544 17.373 -5.194 1.00 0.00 C ATOM 1336 O ARG A 93 24.736 16.454 -5.294 1.00 0.00 O ATOM 1337 CB ARG A 93 25.498 18.303 -2.848 1.00 0.00 C ATOM 1338 CG ARG A 93 25.142 19.720 -3.301 1.00 0.00 C ATOM 1339 CD ARG A 93 24.117 20.355 -2.365 1.00 0.00 C ATOM 1340 NE ARG A 93 24.563 20.338 -0.969 1.00 0.00 N ATOM 1341 CZ ARG A 93 23.736 20.516 0.065 1.00 0.00 C ATOM 1342 NH1 ARG A 93 22.449 20.784 -0.135 1.00 0.00 N ATOM 1343 NH2 ARG A 93 24.191 20.433 1.312 1.00 0.00 N ATOM 0 H ARG A 93 27.606 19.231 -3.817 1.00 0.00 H new ATOM 0 HA ARG A 93 26.559 16.572 -3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 93 24.583 17.745 -2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 93 26.054 18.350 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 93 26.043 20.333 -3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 93 24.744 19.692 -4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 93 23.932 21.384 -2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 93 23.170 19.822 -2.449 1.00 0.00 H new ATOM 0 HE ARG A 93 25.553 20.183 -0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 93 22.085 20.855 -1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 93 21.826 20.918 0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 93 25.176 20.232 1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 93 23.555 20.570 2.097 1.00 0.00 H new ATOM 1357 N PHE A 94 25.778 18.232 -6.192 1.00 0.00 N ATOM 1358 CA PHE A 94 25.151 18.098 -7.498 1.00 0.00 C ATOM 1359 C PHE A 94 25.964 17.125 -8.345 1.00 0.00 C ATOM 1360 O PHE A 94 25.468 16.587 -9.330 1.00 0.00 O ATOM 1361 CB PHE A 94 25.089 19.460 -8.185 1.00 0.00 C ATOM 1362 CG PHE A 94 24.348 20.532 -7.413 1.00 0.00 C ATOM 1363 CD1 PHE A 94 23.043 20.892 -7.776 1.00 0.00 C ATOM 1364 CD2 PHE A 94 24.974 21.177 -6.335 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.360 21.880 -7.052 1.00 0.00 C ATOM 1366 CE2 PHE A 94 24.294 22.167 -5.614 1.00 0.00 C ATOM 1367 CZ PHE A 94 22.983 22.513 -5.968 1.00 0.00 C ATOM 0 H PHE A 94 26.405 19.033 -6.112 1.00 0.00 H new ATOM 0 HA PHE A 94 24.136 17.718 -7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 94 26.107 19.804 -8.370 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.612 19.338 -9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 94 22.563 20.408 -8.614 1.00 0.00 H new ATOM 0 HD2 PHE A 94 25.984 20.909 -6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.353 22.153 -7.330 1.00 0.00 H new ATOM 0 HE2 PHE A 94 24.779 22.663 -4.786 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.453 23.267 -5.406 1.00 0.00 H new ATOM 1377 N ARG A 95 27.225 16.902 -7.956 1.00 0.00 N ATOM 1378 CA ARG A 95 28.100 15.943 -8.612 1.00 0.00 C ATOM 1379 C ARG A 95 27.943 14.547 -8.006 1.00 0.00 C ATOM 1380 O ARG A 95 28.460 13.577 -8.555 1.00 0.00 O ATOM 1381 CB ARG A 95 29.547 16.431 -8.505 1.00 0.00 C ATOM 1382 CG ARG A 95 29.727 17.856 -9.051 1.00 0.00 C ATOM 1383 CD ARG A 95 29.335 17.973 -10.526 1.00 0.00 C ATOM 1384 NE ARG A 95 30.159 17.103 -11.374 1.00 0.00 N ATOM 1385 CZ ARG A 95 30.694 17.462 -12.545 1.00 0.00 C ATOM 1386 NH1 ARG A 95 30.513 18.683 -13.039 1.00 0.00 N ATOM 1387 NH2 ARG A 95 31.428 16.594 -13.234 1.00 0.00 N ATOM 0 H ARG A 95 27.662 17.388 -7.173 1.00 0.00 H new ATOM 0 HA ARG A 95 27.824 15.868 -9.664 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.861 16.402 -7.462 1.00 0.00 H new ATOM 0 HB3 ARG A 95 30.199 15.750 -9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 95 29.123 18.546 -8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 95 30.767 18.159 -8.930 1.00 0.00 H new ATOM 0 HD2 ARG A 95 28.284 17.710 -10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 95 29.443 19.008 -10.851 1.00 0.00 H new ATOM 0 HE ARG A 95 30.336 16.154 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 95 29.958 19.365 -12.522 1.00 0.00 H new ATOM 0 HH12 ARG A 95 30.930 18.938 -13.934 1.00 0.00 H new ATOM 0 HH21 ARG A 95 31.583 15.654 -12.869 1.00 0.00 H new ATOM 0 HH22 ARG A 95 31.836 16.868 -14.128 1.00 0.00 H new ATOM 1401 N ASP A 96 27.234 14.447 -6.878 1.00 0.00 N ATOM 1402 CA ASP A 96 26.975 13.178 -6.202 1.00 0.00 C ATOM 1403 C ASP A 96 25.513 12.753 -6.359 1.00 0.00 C ATOM 1404 O ASP A 96 25.178 11.597 -6.103 1.00 0.00 O ATOM 1405 CB ASP A 96 27.363 13.318 -4.728 1.00 0.00 C ATOM 1406 CG ASP A 96 27.223 11.995 -3.978 1.00 0.00 C ATOM 1407 OD1 ASP A 96 26.357 11.929 -3.075 1.00 0.00 O ATOM 1408 OD2 ASP A 96 27.980 11.056 -4.313 1.00 0.00 O ATOM 0 H ASP A 96 26.822 15.252 -6.407 1.00 0.00 H new ATOM 0 HA ASP A 96 27.578 12.393 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.392 13.671 -4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.733 14.072 -4.256 1.00 0.00 H new ATOM 1413 N ARG A 97 24.644 13.679 -6.779 1.00 0.00 N ATOM 1414 CA ARG A 97 23.239 13.403 -7.051 1.00 0.00 C ATOM 1415 C ARG A 97 22.989 13.456 -8.557 1.00 0.00 C ATOM 1416 O ARG A 97 23.744 14.111 -9.278 1.00 0.00 O ATOM 1417 CB ARG A 97 22.355 14.417 -6.311 1.00 0.00 C ATOM 1418 CG ARG A 97 22.432 14.266 -4.784 1.00 0.00 C ATOM 1419 CD ARG A 97 21.930 12.900 -4.317 1.00 0.00 C ATOM 1420 NE ARG A 97 20.537 12.670 -4.725 1.00 0.00 N ATOM 1421 CZ ARG A 97 19.960 11.466 -4.763 1.00 0.00 C ATOM 1422 NH1 ARG A 97 20.630 10.378 -4.395 1.00 0.00 N ATOM 1423 NH2 ARG A 97 18.700 11.344 -5.174 1.00 0.00 N ATOM 0 H ARG A 97 24.905 14.652 -6.940 1.00 0.00 H new ATOM 0 HA ARG A 97 22.986 12.405 -6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.657 15.427 -6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 97 21.321 14.294 -6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 97 23.463 14.404 -4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 97 21.840 15.050 -4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 97 22.565 12.117 -4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 97 22.008 12.834 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 97 19.977 13.479 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 97 21.597 10.457 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 97 20.177 9.465 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.175 12.170 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.260 10.424 -5.203 1.00 0.00 H new ATOM 1437 N PRO A 98 21.943 12.782 -9.052 1.00 0.00 N ATOM 1438 CA PRO A 98 21.574 12.806 -10.457 1.00 0.00 C ATOM 1439 C PRO A 98 21.116 14.204 -10.871 1.00 0.00 C ATOM 1440 O PRO A 98 20.602 14.963 -10.048 1.00 0.00 O ATOM 1441 CB PRO A 98 20.459 11.772 -10.607 1.00 0.00 C ATOM 1442 CG PRO A 98 19.828 11.739 -9.217 1.00 0.00 C ATOM 1443 CD PRO A 98 21.029 11.945 -8.295 1.00 0.00 C ATOM 0 HA PRO A 98 22.416 12.565 -11.106 1.00 0.00 H new ATOM 0 HB2 PRO A 98 19.738 12.065 -11.370 1.00 0.00 H new ATOM 0 HB3 PRO A 98 20.850 10.796 -10.895 1.00 0.00 H new ATOM 0 HG2 PRO A 98 19.083 12.525 -9.092 1.00 0.00 H new ATOM 0 HG3 PRO A 98 19.327 10.791 -9.023 1.00 0.00 H new ATOM 0 HD2 PRO A 98 20.733 12.426 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.491 10.994 -8.030 1.00 0.00 H new ATOM 1451 N VAL A 99 21.307 14.537 -12.150 1.00 0.00 N ATOM 1452 CA VAL A 99 20.982 15.847 -12.704 1.00 0.00 C ATOM 1453 C VAL A 99 20.255 15.703 -14.037 1.00 0.00 C ATOM 1454 O VAL A 99 20.412 14.699 -14.733 1.00 0.00 O ATOM 1455 CB VAL A 99 22.241 16.705 -12.861 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.864 17.003 -11.496 1.00 0.00 C ATOM 1457 CG2 VAL A 99 23.282 16.017 -13.748 1.00 0.00 C ATOM 0 H VAL A 99 21.698 13.892 -12.837 1.00 0.00 H new ATOM 0 HA VAL A 99 20.316 16.353 -12.005 1.00 0.00 H new ATOM 0 HB VAL A 99 21.937 17.638 -13.337 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.757 17.614 -11.629 1.00 0.00 H new ATOM 0 HG12 VAL A 99 22.145 17.541 -10.878 1.00 0.00 H new ATOM 0 HG13 VAL A 99 23.134 16.067 -11.007 1.00 0.00 H new ATOM 0 HG21 VAL A 99 24.162 16.654 -13.837 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.568 15.064 -13.302 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.859 15.842 -14.737 1.00 0.00 H new ATOM 1467 N LEU A 100 19.457 16.714 -14.386 1.00 0.00 N ATOM 1468 CA LEU A 100 18.659 16.733 -15.602 1.00 0.00 C ATOM 1469 C LEU A 100 18.766 18.092 -16.285 1.00 0.00 C ATOM 1470 O LEU A 100 19.076 19.093 -15.642 1.00 0.00 O ATOM 1471 CB LEU A 100 17.193 16.452 -15.252 1.00 0.00 C ATOM 1472 CG LEU A 100 16.981 15.047 -14.682 1.00 0.00 C ATOM 1473 CD1 LEU A 100 15.545 14.929 -14.179 1.00 0.00 C ATOM 1474 CD2 LEU A 100 17.213 13.987 -15.757 1.00 0.00 C ATOM 0 H LEU A 100 19.349 17.554 -13.818 1.00 0.00 H new ATOM 0 HA LEU A 100 19.031 15.966 -16.282 1.00 0.00 H new ATOM 0 HB2 LEU A 100 16.849 17.190 -14.527 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.581 16.574 -16.145 1.00 0.00 H new ATOM 0 HG LEU A 100 17.689 14.888 -13.869 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.383 13.931 -13.771 1.00 0.00 H new ATOM 0 HD12 LEU A 100 15.370 15.672 -13.401 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.855 15.099 -15.005 1.00 0.00 H new ATOM 0 HD21 LEU A 100 17.057 12.996 -15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 100 16.514 14.143 -16.578 1.00 0.00 H new ATOM 0 HD23 LEU A 100 18.234 14.065 -16.130 1.00 0.00 H new ATOM 1486 N GLN A 101 18.500 18.123 -17.591 1.00 0.00 N ATOM 1487 CA GLN A 101 18.418 19.364 -18.343 1.00 0.00 C ATOM 1488 C GLN A 101 17.029 19.975 -18.145 1.00 0.00 C ATOM 1489 O GLN A 101 16.089 19.265 -17.784 1.00 0.00 O ATOM 1490 CB GLN A 101 18.738 19.113 -19.818 1.00 0.00 C ATOM 1491 CG GLN A 101 17.897 17.971 -20.397 1.00 0.00 C ATOM 1492 CD GLN A 101 18.102 17.809 -21.899 1.00 0.00 C ATOM 1493 OE1 GLN A 101 18.868 18.543 -22.521 1.00 0.00 O ATOM 1494 NE2 GLN A 101 17.415 16.839 -22.498 1.00 0.00 N ATOM 0 H GLN A 101 18.336 17.287 -18.152 1.00 0.00 H new ATOM 0 HA GLN A 101 19.158 20.077 -17.978 1.00 0.00 H new ATOM 0 HB2 GLN A 101 18.557 20.023 -20.389 1.00 0.00 H new ATOM 0 HB3 GLN A 101 19.796 18.875 -19.925 1.00 0.00 H new ATOM 0 HG2 GLN A 101 18.157 17.040 -19.894 1.00 0.00 H new ATOM 0 HG3 GLN A 101 16.843 18.159 -20.194 1.00 0.00 H new ATOM 0 HE21 GLN A 101 16.788 16.247 -21.953 1.00 0.00 H new ATOM 0 HE22 GLN A 101 17.516 16.687 -23.502 1.00 0.00 H new ATOM 1503 N LYS A 102 16.883 21.285 -18.376 1.00 0.00 N ATOM 1504 CA LYS A 102 15.609 21.963 -18.160 1.00 0.00 C ATOM 1505 C LYS A 102 14.543 21.508 -19.166 1.00 0.00 C ATOM 1506 O LYS A 102 13.464 21.102 -18.738 1.00 0.00 O ATOM 1507 CB LYS A 102 15.792 23.487 -18.173 1.00 0.00 C ATOM 1508 CG LYS A 102 16.726 23.935 -17.046 1.00 0.00 C ATOM 1509 CD LYS A 102 16.889 25.458 -17.050 1.00 0.00 C ATOM 1510 CE LYS A 102 15.593 26.171 -16.659 1.00 0.00 C ATOM 1511 NZ LYS A 102 15.290 25.996 -15.228 1.00 0.00 N ATOM 0 H LYS A 102 17.632 21.891 -18.711 1.00 0.00 H new ATOM 0 HA LYS A 102 15.247 21.681 -17.171 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.199 23.800 -19.134 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.823 23.975 -18.063 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.327 23.610 -16.085 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.700 23.460 -17.164 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.682 25.740 -16.357 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.200 25.787 -18.041 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.678 27.234 -16.886 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.768 25.782 -17.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.306 26.279 -15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.417 24.998 -14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.932 26.587 -14.662 1.00 0.00 H new ATOM 1525 N PRO A 103 14.792 21.557 -20.487 1.00 0.00 N ATOM 1526 CA PRO A 103 13.846 21.058 -21.468 1.00 0.00 C ATOM 1527 C PRO A 103 13.863 19.534 -21.465 1.00 0.00 C ATOM 1528 O PRO A 103 14.922 18.929 -21.328 1.00 0.00 O ATOM 1529 CB PRO A 103 14.325 21.620 -22.806 1.00 0.00 C ATOM 1530 CG PRO A 103 15.838 21.692 -22.615 1.00 0.00 C ATOM 1531 CD PRO A 103 15.974 22.087 -21.143 1.00 0.00 C ATOM 0 HA PRO A 103 12.820 21.361 -21.260 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.052 20.972 -23.639 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.895 22.601 -23.011 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.318 20.736 -22.824 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.295 22.429 -23.276 1.00 0.00 H new ATOM 0 HD2 PRO A 103 16.883 21.672 -20.708 1.00 0.00 H new ATOM 0 HD3 PRO A 103 16.032 23.170 -21.031 1.00 0.00 H new ATOM 1539 N PHE A 104 12.693 18.906 -21.621 1.00 0.00 N ATOM 1540 CA PHE A 104 12.583 17.455 -21.606 1.00 0.00 C ATOM 1541 C PHE A 104 12.338 16.894 -23.003 1.00 0.00 C ATOM 1542 O PHE A 104 11.871 17.592 -23.902 1.00 0.00 O ATOM 1543 CB PHE A 104 11.462 17.017 -20.659 1.00 0.00 C ATOM 1544 CG PHE A 104 11.846 16.862 -19.202 1.00 0.00 C ATOM 1545 CD1 PHE A 104 11.074 16.022 -18.382 1.00 0.00 C ATOM 1546 CD2 PHE A 104 12.956 17.534 -18.661 1.00 0.00 C ATOM 1547 CE1 PHE A 104 11.414 15.859 -17.031 1.00 0.00 C ATOM 1548 CE2 PHE A 104 13.289 17.373 -17.310 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.516 16.537 -16.494 1.00 0.00 C ATOM 0 H PHE A 104 11.806 19.390 -21.760 1.00 0.00 H new ATOM 0 HA PHE A 104 13.532 17.056 -21.248 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.653 17.744 -20.725 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.066 16.065 -21.013 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.220 15.503 -18.791 1.00 0.00 H new ATOM 0 HD2 PHE A 104 13.554 18.177 -19.290 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.824 15.208 -16.402 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.141 17.893 -16.898 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.770 16.415 -15.451 1.00 0.00 H new ATOM 1559 N THR A 105 12.663 15.610 -23.162 1.00 0.00 N ATOM 1560 CA THR A 105 12.421 14.837 -24.369 1.00 0.00 C ATOM 1561 C THR A 105 11.906 13.466 -23.948 1.00 0.00 C ATOM 1562 O THR A 105 12.037 13.087 -22.784 1.00 0.00 O ATOM 1563 CB THR A 105 13.705 14.705 -25.196 1.00 0.00 C ATOM 1564 OG1 THR A 105 14.699 14.060 -24.430 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.229 16.072 -25.633 1.00 0.00 C ATOM 0 H THR A 105 13.116 15.067 -22.427 1.00 0.00 H new ATOM 0 HA THR A 105 11.684 15.339 -24.996 1.00 0.00 H new ATOM 0 HB THR A 105 13.471 14.120 -26.085 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.518 13.975 -24.961 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.140 15.943 -26.217 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.476 16.573 -26.241 1.00 0.00 H new ATOM 0 HG23 THR A 105 14.445 16.677 -24.753 1.00 0.00 H new ATOM 1573 N MET A 106 11.319 12.708 -24.877 1.00 0.00 N ATOM 1574 CA MET A 106 10.742 11.414 -24.540 1.00 0.00 C ATOM 1575 C MET A 106 11.827 10.433 -24.093 1.00 0.00 C ATOM 1576 O MET A 106 11.561 9.539 -23.294 1.00 0.00 O ATOM 1577 CB MET A 106 9.974 10.890 -25.752 1.00 0.00 C ATOM 1578 CG MET A 106 9.162 9.648 -25.381 1.00 0.00 C ATOM 1579 SD MET A 106 8.092 9.034 -26.706 1.00 0.00 S ATOM 1580 CE MET A 106 6.942 10.427 -26.840 1.00 0.00 C ATOM 0 H MET A 106 11.233 12.969 -25.859 1.00 0.00 H new ATOM 0 HA MET A 106 10.053 11.524 -23.703 1.00 0.00 H new ATOM 0 HB2 MET A 106 9.309 11.666 -26.131 1.00 0.00 H new ATOM 0 HB3 MET A 106 10.671 10.649 -26.554 1.00 0.00 H new ATOM 0 HG2 MET A 106 9.848 8.854 -25.087 1.00 0.00 H new ATOM 0 HG3 MET A 106 8.547 9.877 -24.510 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.034 10.102 -27.349 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.690 10.788 -25.843 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.409 11.231 -27.409 1.00 0.00 H new ATOM 1590 N ASP A 107 13.050 10.601 -24.603 1.00 0.00 N ATOM 1591 CA ASP A 107 14.172 9.763 -24.211 1.00 0.00 C ATOM 1592 C ASP A 107 14.821 10.285 -22.928 1.00 0.00 C ATOM 1593 O ASP A 107 15.366 9.508 -22.148 1.00 0.00 O ATOM 1594 CB ASP A 107 15.179 9.720 -25.358 1.00 0.00 C ATOM 1595 CG ASP A 107 16.351 8.804 -25.023 1.00 0.00 C ATOM 1596 OD1 ASP A 107 16.175 7.572 -25.149 1.00 0.00 O ATOM 1597 OD2 ASP A 107 17.417 9.338 -24.642 1.00 0.00 O ATOM 0 H ASP A 107 13.283 11.316 -25.292 1.00 0.00 H new ATOM 0 HA ASP A 107 13.817 8.753 -24.004 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.687 9.370 -26.265 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.546 10.726 -25.562 1.00 0.00 H new ATOM 1602 N GLY A 108 14.762 11.602 -22.705 1.00 0.00 N ATOM 1603 CA GLY A 108 15.387 12.226 -21.550 1.00 0.00 C ATOM 1604 C GLY A 108 14.563 12.032 -20.280 1.00 0.00 C ATOM 1605 O GLY A 108 15.125 11.995 -19.187 1.00 0.00 O ATOM 0 H GLY A 108 14.280 12.257 -23.321 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.382 11.805 -21.405 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.516 13.292 -21.739 1.00 0.00 H new ATOM 1609 N VAL A 109 13.239 11.904 -20.408 1.00 0.00 N ATOM 1610 CA VAL A 109 12.378 11.689 -19.250 1.00 0.00 C ATOM 1611 C VAL A 109 12.366 10.211 -18.868 1.00 0.00 C ATOM 1612 O VAL A 109 12.109 9.870 -17.714 1.00 0.00 O ATOM 1613 CB VAL A 109 10.972 12.227 -19.543 1.00 0.00 C ATOM 1614 CG1 VAL A 109 10.245 11.366 -20.575 1.00 0.00 C ATOM 1615 CG2 VAL A 109 10.148 12.270 -18.257 1.00 0.00 C ATOM 0 H VAL A 109 12.745 11.946 -21.300 1.00 0.00 H new ATOM 0 HA VAL A 109 12.768 12.238 -18.393 1.00 0.00 H new ATOM 0 HB VAL A 109 11.084 13.233 -19.948 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.252 11.777 -20.758 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.811 11.358 -21.506 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.152 10.347 -20.198 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.151 12.653 -18.476 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.067 11.265 -17.843 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.637 12.922 -17.533 1.00 0.00 H new ATOM 1625 N ALA A 110 12.650 9.323 -19.825 1.00 0.00 N ATOM 1626 CA ALA A 110 12.735 7.901 -19.542 1.00 0.00 C ATOM 1627 C ALA A 110 13.987 7.613 -18.715 1.00 0.00 C ATOM 1628 O ALA A 110 14.006 6.665 -17.930 1.00 0.00 O ATOM 1629 CB ALA A 110 12.753 7.130 -20.862 1.00 0.00 C ATOM 0 H ALA A 110 12.824 9.571 -20.799 1.00 0.00 H new ATOM 0 HA ALA A 110 11.869 7.580 -18.963 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.817 6.061 -20.658 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.839 7.340 -21.418 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.616 7.439 -21.452 1.00 0.00 H new ATOM 1635 N LYS A 111 15.033 8.430 -18.880 1.00 0.00 N ATOM 1636 CA LYS A 111 16.256 8.305 -18.100 1.00 0.00 C ATOM 1637 C LYS A 111 16.134 9.044 -16.770 1.00 0.00 C ATOM 1638 O LYS A 111 16.873 8.740 -15.837 1.00 0.00 O ATOM 1639 CB LYS A 111 17.438 8.838 -18.913 1.00 0.00 C ATOM 1640 CG LYS A 111 17.740 7.905 -20.085 1.00 0.00 C ATOM 1641 CD LYS A 111 18.926 8.449 -20.883 1.00 0.00 C ATOM 1642 CE LYS A 111 19.333 7.459 -21.977 1.00 0.00 C ATOM 1643 NZ LYS A 111 18.259 7.275 -22.969 1.00 0.00 N ATOM 0 H LYS A 111 15.050 9.192 -19.557 1.00 0.00 H new ATOM 0 HA LYS A 111 16.425 7.252 -17.876 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.211 9.838 -19.284 1.00 0.00 H new ATOM 0 HB3 LYS A 111 18.317 8.927 -18.274 1.00 0.00 H new ATOM 0 HG2 LYS A 111 17.965 6.904 -19.717 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.865 7.819 -20.729 1.00 0.00 H new ATOM 0 HD2 LYS A 111 18.662 9.407 -21.331 1.00 0.00 H new ATOM 0 HD3 LYS A 111 19.769 8.630 -20.216 1.00 0.00 H new ATOM 0 HE2 LYS A 111 20.233 7.818 -22.477 1.00 0.00 H new ATOM 0 HE3 LYS A 111 19.580 6.498 -21.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 18.604 6.679 -23.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 17.443 6.815 -22.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.970 8.201 -23.344 1.00 0.00 H new ATOM 1657 N ALA A 112 15.209 10.003 -16.672 1.00 0.00 N ATOM 1658 CA ALA A 112 14.999 10.738 -15.437 1.00 0.00 C ATOM 1659 C ALA A 112 14.305 9.852 -14.404 1.00 0.00 C ATOM 1660 O ALA A 112 14.663 9.866 -13.226 1.00 0.00 O ATOM 1661 CB ALA A 112 14.161 11.981 -15.735 1.00 0.00 C ATOM 0 H ALA A 112 14.597 10.283 -17.438 1.00 0.00 H new ATOM 0 HA ALA A 112 15.960 11.044 -15.024 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.998 12.539 -14.813 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.687 12.611 -16.453 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.200 11.680 -16.152 1.00 0.00 H new ATOM 1667 N LEU A 113 13.313 9.073 -14.847 1.00 0.00 N ATOM 1668 CA LEU A 113 12.600 8.177 -13.957 1.00 0.00 C ATOM 1669 C LEU A 113 13.419 6.917 -13.704 1.00 0.00 C ATOM 1670 O LEU A 113 13.274 6.296 -12.655 1.00 0.00 O ATOM 1671 CB LEU A 113 11.232 7.842 -14.556 1.00 0.00 C ATOM 1672 CG LEU A 113 10.334 9.077 -14.690 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.024 8.667 -15.348 1.00 0.00 C ATOM 1674 CD2 LEU A 113 10.026 9.699 -13.329 1.00 0.00 C ATOM 0 H LEU A 113 12.993 9.051 -15.815 1.00 0.00 H new ATOM 0 HA LEU A 113 12.445 8.667 -12.996 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.370 7.388 -15.537 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.735 7.101 -13.929 1.00 0.00 H new ATOM 0 HG LEU A 113 10.861 9.816 -15.294 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.378 9.539 -15.448 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.227 8.251 -16.335 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.527 7.916 -14.733 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.387 10.572 -13.464 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.514 8.968 -12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.956 10.001 -12.848 1.00 0.00 H new ATOM 1686 N ALA A 114 14.283 6.531 -14.649 1.00 0.00 N ATOM 1687 CA ALA A 114 15.151 5.380 -14.449 1.00 0.00 C ATOM 1688 C ALA A 114 16.268 5.715 -13.457 1.00 0.00 C ATOM 1689 O ALA A 114 16.865 4.809 -12.881 1.00 0.00 O ATOM 1690 CB ALA A 114 15.726 4.941 -15.796 1.00 0.00 C ATOM 0 H ALA A 114 14.395 6.997 -15.549 1.00 0.00 H new ATOM 0 HA ALA A 114 14.572 4.558 -14.028 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.377 4.079 -15.650 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.912 4.671 -16.469 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.300 5.759 -16.231 1.00 0.00 H new ATOM 1696 N ALA A 115 16.554 7.006 -13.254 1.00 0.00 N ATOM 1697 CA ALA A 115 17.532 7.441 -12.269 1.00 0.00 C ATOM 1698 C ALA A 115 16.892 7.619 -10.892 1.00 0.00 C ATOM 1699 O ALA A 115 17.593 7.569 -9.881 1.00 0.00 O ATOM 1700 CB ALA A 115 18.171 8.743 -12.750 1.00 0.00 C ATOM 0 H ALA A 115 16.113 7.769 -13.768 1.00 0.00 H new ATOM 0 HA ALA A 115 18.301 6.676 -12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.906 9.079 -12.019 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.662 8.575 -13.708 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.401 9.505 -12.866 1.00 0.00 H new ATOM 1706 N LEU A 116 15.569 7.827 -10.838 1.00 0.00 N ATOM 1707 CA LEU A 116 14.861 8.027 -9.580 1.00 0.00 C ATOM 1708 C LEU A 116 14.341 6.699 -9.019 1.00 0.00 C ATOM 1709 O LEU A 116 14.589 6.371 -7.860 1.00 0.00 O ATOM 1710 CB LEU A 116 13.755 9.061 -9.829 1.00 0.00 C ATOM 1711 CG LEU A 116 13.329 9.817 -8.567 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.389 10.948 -8.978 1.00 0.00 C ATOM 1713 CD2 LEU A 116 12.601 8.927 -7.562 1.00 0.00 C ATOM 0 H LEU A 116 14.969 7.860 -11.662 1.00 0.00 H new ATOM 0 HA LEU A 116 15.531 8.412 -8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.100 9.778 -10.573 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.886 8.557 -10.252 1.00 0.00 H new ATOM 0 HG LEU A 116 14.232 10.190 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.074 11.499 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.907 11.622 -9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.514 10.531 -9.476 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.323 9.517 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.703 8.517 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.257 8.112 -7.256 1.00 0.00 H new ATOM 1725 N LEU A 117 13.620 5.931 -9.842 1.00 0.00 N ATOM 1726 CA LEU A 117 13.029 4.654 -9.460 1.00 0.00 C ATOM 1727 C LEU A 117 14.064 3.537 -9.287 1.00 0.00 C ATOM 1728 O LEU A 117 13.675 2.394 -9.039 1.00 0.00 O ATOM 1729 CB LEU A 117 11.952 4.250 -10.479 1.00 0.00 C ATOM 1730 CG LEU A 117 10.612 4.978 -10.293 1.00 0.00 C ATOM 1731 CD1 LEU A 117 10.705 6.495 -10.439 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.630 4.456 -11.340 1.00 0.00 C ATOM 0 H LEU A 117 13.430 6.189 -10.810 1.00 0.00 H new ATOM 0 HA LEU A 117 12.571 4.794 -8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 117 12.325 4.448 -11.484 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.783 3.176 -10.407 1.00 0.00 H new ATOM 0 HG LEU A 117 10.284 4.777 -9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.719 6.936 -10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.393 6.891 -9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.070 6.743 -11.436 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.671 4.962 -11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.024 4.650 -12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.493 3.383 -11.207 1.00 0.00 H new ATOM 1744 N VAL A 118 15.362 3.837 -9.410 1.00 0.00 N ATOM 1745 CA VAL A 118 16.425 2.848 -9.239 1.00 0.00 C ATOM 1746 C VAL A 118 17.530 3.419 -8.361 1.00 0.00 C ATOM 1747 O VAL A 118 18.172 4.400 -8.795 1.00 0.00 O ATOM 1748 CB VAL A 118 16.976 2.397 -10.595 1.00 0.00 C ATOM 1749 CG1 VAL A 118 18.005 1.284 -10.393 1.00 0.00 C ATOM 1750 CG2 VAL A 118 15.861 1.855 -11.489 1.00 0.00 C ATOM 0 H VAL A 118 15.702 4.773 -9.631 1.00 0.00 H new ATOM 0 HA VAL A 118 16.009 1.970 -8.745 1.00 0.00 H new ATOM 0 HB VAL A 118 17.434 3.264 -11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.393 0.967 -11.361 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.824 1.654 -9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.532 0.437 -9.897 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.281 1.542 -12.445 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.388 1.001 -11.004 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.118 2.635 -11.657 1.00 0.00 H new