USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 566 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 10 GLN :FLIP amide:sc= -4.67! C(o=-5.2!,f=-3.5!) USER MOD Set 1.2: A 54 THR OG1 : rot -85:sc= 1.21 USER MOD Single : A 8 GLN : amide:sc= -0.037 K(o=-0.037,f=-0.77) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.4) USER MOD Single : A 19 ASN : amide:sc= -0.0768 X(o=-0.077,f=0) USER MOD Single : A 21 THR OG1 : rot 87:sc= 0.0147 USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= -0.49 (180deg=-2.04!) USER MOD Single : A 28 ASN : amide:sc= -0.575 K(o=-0.57,f=-13!) USER MOD Single : A 30 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.00783 X(o=-0.0078,f=-0.027) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 149:sc= -0.354 (180deg=-1.32!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 56:sc= 0.236 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.044 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 6 11.522 2.175 2.031 1.00 0.00 N ATOM 75 CA VAL A 6 12.247 3.318 2.572 1.00 0.00 C ATOM 76 C VAL A 6 11.343 4.179 3.446 1.00 0.00 C ATOM 77 O VAL A 6 10.135 4.255 3.222 1.00 0.00 O ATOM 78 CB VAL A 6 12.839 4.190 1.448 1.00 0.00 C ATOM 79 CG1 VAL A 6 13.802 3.379 0.594 1.00 0.00 C ATOM 80 CG2 VAL A 6 11.728 4.784 0.595 1.00 0.00 C ATOM 0 HA VAL A 6 13.060 2.919 3.179 1.00 0.00 H new ATOM 0 HB VAL A 6 13.396 5.010 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.210 4.011 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.615 3.006 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.272 2.538 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.163 5.397 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.143 3.980 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.081 5.401 1.218 1.00 0.00 H new ATOM 90 N ILE A 7 11.936 4.827 4.443 1.00 0.00 N ATOM 91 CA ILE A 7 11.185 5.686 5.350 1.00 0.00 C ATOM 92 C ILE A 7 11.876 7.032 5.533 1.00 0.00 C ATOM 93 O ILE A 7 13.089 7.096 5.729 1.00 0.00 O ATOM 94 CB ILE A 7 11.001 5.024 6.729 1.00 0.00 C ATOM 95 CG1 ILE A 7 12.361 4.773 7.383 1.00 0.00 C ATOM 96 CG2 ILE A 7 10.225 3.723 6.593 1.00 0.00 C ATOM 97 CD1 ILE A 7 12.661 5.711 8.532 1.00 0.00 C ATOM 0 H ILE A 7 12.935 4.773 4.643 1.00 0.00 H new ATOM 0 HA ILE A 7 10.206 5.843 4.897 1.00 0.00 H new ATOM 0 HB ILE A 7 10.431 5.699 7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.397 3.745 7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.142 4.873 6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.103 3.267 7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.244 3.928 6.164 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.771 3.040 5.942 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.641 5.475 8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.657 6.740 8.172 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.901 5.594 9.305 1.00 0.00 H new ATOM 109 N GLN A 8 11.095 8.106 5.469 1.00 0.00 N ATOM 110 CA GLN A 8 11.633 9.452 5.629 1.00 0.00 C ATOM 111 C GLN A 8 11.499 9.924 7.073 1.00 0.00 C ATOM 112 O GLN A 8 10.436 9.801 7.680 1.00 0.00 O ATOM 113 CB GLN A 8 10.915 10.425 4.693 1.00 0.00 C ATOM 114 CG GLN A 8 9.483 10.723 5.107 1.00 0.00 C ATOM 115 CD GLN A 8 8.760 11.609 4.112 1.00 0.00 C ATOM 116 OE1 GLN A 8 8.770 12.834 4.232 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.127 10.992 3.121 1.00 0.00 N ATOM 0 H GLN A 8 10.088 8.070 5.308 1.00 0.00 H new ATOM 0 HA GLN A 8 12.692 9.426 5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.475 11.359 4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.914 10.012 3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.938 9.785 5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.484 11.206 6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.145 9.974 3.060 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.623 11.536 2.421 1.00 0.00 H new ATOM 126 N MET A 9 12.585 10.463 7.617 1.00 0.00 N ATOM 127 CA MET A 9 12.587 10.954 8.990 1.00 0.00 C ATOM 128 C MET A 9 12.677 12.477 9.023 1.00 0.00 C ATOM 129 O MET A 9 13.207 13.095 8.100 1.00 0.00 O ATOM 130 CB MET A 9 13.755 10.346 9.770 1.00 0.00 C ATOM 131 CG MET A 9 13.597 8.858 10.037 1.00 0.00 C ATOM 132 SD MET A 9 12.236 8.494 11.162 1.00 0.00 S ATOM 133 CE MET A 9 13.132 8.115 12.666 1.00 0.00 C ATOM 0 H MET A 9 13.474 10.571 7.129 1.00 0.00 H new ATOM 0 HA MET A 9 11.650 10.653 9.458 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.678 10.511 9.214 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.858 10.869 10.721 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.431 8.339 9.093 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.524 8.468 10.457 1.00 0.00 H new ATOM 0 HE1 MET A 9 12.425 7.869 13.458 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.792 7.266 12.492 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.724 8.980 12.964 1.00 0.00 H new ATOM 143 N GLN A 10 12.157 13.073 10.091 1.00 0.00 N ATOM 144 CA GLN A 10 12.179 14.523 10.242 1.00 0.00 C ATOM 145 C GLN A 10 13.167 14.943 11.325 1.00 0.00 C ATOM 146 O GLN A 10 12.942 14.704 12.511 1.00 0.00 O ATOM 147 CB GLN A 10 10.781 15.043 10.581 1.00 0.00 C ATOM 148 CG GLN A 10 9.715 14.617 9.584 1.00 0.00 C ATOM 149 CD GLN A 10 9.408 15.695 8.563 1.00 0.00 C ATOM 150 OE1 GLN A 10 9.748 15.433 7.306 1.00 0.00 O flip ATOM 151 NE2 GLN A 10 8.872 16.751 8.899 1.00 0.00 N flip ATOM 0 H GLN A 10 11.716 12.575 10.864 1.00 0.00 H new ATOM 0 HA GLN A 10 12.500 14.956 9.295 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.501 14.688 11.573 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.809 16.132 10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.045 13.716 9.067 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.802 14.360 10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.628 16.910 9.876 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.672 17.467 8.200 1.00 0.00 H new ATOM 160 N GLY A 11 14.263 15.570 10.908 1.00 0.00 N ATOM 161 CA GLY A 11 15.270 16.013 11.856 1.00 0.00 C ATOM 162 C GLY A 11 15.760 17.417 11.566 1.00 0.00 C ATOM 163 O GLY A 11 15.307 18.056 10.617 1.00 0.00 O ATOM 0 H GLY A 11 14.472 15.779 9.932 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.857 15.977 12.864 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.115 15.324 11.833 1.00 0.00 H new ATOM 167 N GLU A 12 16.688 17.900 12.388 1.00 0.00 N ATOM 168 CA GLU A 12 17.237 19.239 12.216 1.00 0.00 C ATOM 169 C GLU A 12 18.747 19.184 11.999 1.00 0.00 C ATOM 170 O GLU A 12 19.450 18.405 12.642 1.00 0.00 O ATOM 171 CB GLU A 12 16.918 20.106 13.435 1.00 0.00 C ATOM 172 CG GLU A 12 17.583 21.472 13.402 1.00 0.00 C ATOM 173 CD GLU A 12 16.887 22.481 14.295 1.00 0.00 C ATOM 174 OE1 GLU A 12 15.808 22.974 13.903 1.00 0.00 O ATOM 175 OE2 GLU A 12 17.421 22.778 15.384 1.00 0.00 O ATOM 0 H GLU A 12 17.074 17.384 13.178 1.00 0.00 H new ATOM 0 HA GLU A 12 16.776 19.682 11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.838 20.239 13.503 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.232 19.580 14.337 1.00 0.00 H new ATOM 0 HG2 GLU A 12 18.623 21.373 13.713 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.591 21.844 12.377 1.00 0.00 H new ATOM 182 N VAL A 13 19.238 20.017 11.087 1.00 0.00 N ATOM 183 CA VAL A 13 20.664 20.065 10.784 1.00 0.00 C ATOM 184 C VAL A 13 21.471 20.492 12.005 1.00 0.00 C ATOM 185 O VAL A 13 21.159 21.495 12.648 1.00 0.00 O ATOM 186 CB VAL A 13 20.959 21.032 9.623 1.00 0.00 C ATOM 187 CG1 VAL A 13 22.457 21.134 9.380 1.00 0.00 C ATOM 188 CG2 VAL A 13 20.235 20.587 8.362 1.00 0.00 C ATOM 0 H VAL A 13 18.670 20.668 10.545 1.00 0.00 H new ATOM 0 HA VAL A 13 20.959 19.058 10.491 1.00 0.00 H new ATOM 0 HB VAL A 13 20.591 22.021 9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 13 22.646 21.822 8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 13 22.947 21.503 10.281 1.00 0.00 H new ATOM 0 HG13 VAL A 13 22.853 20.150 9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.455 21.282 7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.570 19.588 8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.161 20.572 8.545 1.00 0.00 H new ATOM 198 N ILE A 14 22.510 19.725 12.319 1.00 0.00 N ATOM 199 CA ILE A 14 23.363 20.025 13.462 1.00 0.00 C ATOM 200 C ILE A 14 24.792 20.322 13.018 1.00 0.00 C ATOM 201 O ILE A 14 25.516 21.062 13.682 1.00 0.00 O ATOM 202 CB ILE A 14 23.381 18.863 14.471 1.00 0.00 C ATOM 203 CG1 ILE A 14 24.111 19.280 15.750 1.00 0.00 C ATOM 204 CG2 ILE A 14 24.039 17.637 13.856 1.00 0.00 C ATOM 205 CD1 ILE A 14 24.128 18.205 16.814 1.00 0.00 C ATOM 0 H ILE A 14 22.781 18.891 11.798 1.00 0.00 H new ATOM 0 HA ILE A 14 22.945 20.908 13.946 1.00 0.00 H new ATOM 0 HB ILE A 14 22.353 18.609 14.728 1.00 0.00 H new ATOM 0 HG12 ILE A 14 25.137 19.550 15.501 1.00 0.00 H new ATOM 0 HG13 ILE A 14 23.636 20.173 16.155 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.044 16.824 14.582 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.481 17.330 12.971 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.064 17.877 13.573 1.00 0.00 H new ATOM 0 HD11 ILE A 14 24.662 18.570 17.692 1.00 0.00 H new ATOM 0 HD12 ILE A 14 23.105 17.951 17.091 1.00 0.00 H new ATOM 0 HD13 ILE A 14 24.630 17.318 16.427 1.00 0.00 H new ATOM 217 N GLU A 15 25.189 19.739 11.892 1.00 0.00 N ATOM 218 CA GLU A 15 26.531 19.941 11.359 1.00 0.00 C ATOM 219 C GLU A 15 26.484 20.234 9.863 1.00 0.00 C ATOM 220 O GLU A 15 25.631 19.715 9.144 1.00 0.00 O ATOM 221 CB GLU A 15 27.400 18.710 11.622 1.00 0.00 C ATOM 222 CG GLU A 15 28.880 19.025 11.754 1.00 0.00 C ATOM 223 CD GLU A 15 29.719 17.789 12.014 1.00 0.00 C ATOM 224 OE1 GLU A 15 29.368 17.017 12.930 1.00 0.00 O ATOM 225 OE2 GLU A 15 30.727 17.595 11.303 1.00 0.00 O ATOM 0 H GLU A 15 24.601 19.123 11.331 1.00 0.00 H new ATOM 0 HA GLU A 15 26.969 20.800 11.866 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.058 18.223 12.535 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.260 17.997 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.227 19.510 10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 15 29.025 19.736 12.568 1.00 0.00 H new ATOM 232 N ASN A 16 27.409 21.070 9.400 1.00 0.00 N ATOM 233 CA ASN A 16 27.473 21.433 7.989 1.00 0.00 C ATOM 234 C ASN A 16 28.896 21.296 7.456 1.00 0.00 C ATOM 235 O ASN A 16 29.841 21.837 8.032 1.00 0.00 O ATOM 236 CB ASN A 16 26.976 22.867 7.787 1.00 0.00 C ATOM 237 CG ASN A 16 27.582 23.834 8.785 1.00 0.00 C ATOM 238 OD1 ASN A 16 27.311 23.759 9.983 1.00 0.00 O ATOM 239 ND2 ASN A 16 28.408 24.751 8.293 1.00 0.00 N ATOM 0 H ASN A 16 28.124 21.508 9.981 1.00 0.00 H new ATOM 0 HA ASN A 16 26.829 20.751 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 16 27.218 23.194 6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 16 25.890 22.889 7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 16 28.846 25.430 8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 16 28.604 24.776 7.292 1.00 0.00 H new ATOM 246 N LEU A 17 29.041 20.571 6.353 1.00 0.00 N ATOM 247 CA LEU A 17 30.349 20.362 5.741 1.00 0.00 C ATOM 248 C LEU A 17 30.270 20.506 4.225 1.00 0.00 C ATOM 249 O LEU A 17 29.205 20.380 3.619 1.00 0.00 O ATOM 250 CB LEU A 17 30.890 18.979 6.106 1.00 0.00 C ATOM 251 CG LEU A 17 31.575 18.864 7.469 1.00 0.00 C ATOM 252 CD1 LEU A 17 31.769 17.404 7.847 1.00 0.00 C ATOM 253 CD2 LEU A 17 32.908 19.597 7.459 1.00 0.00 C ATOM 0 H LEU A 17 28.269 20.118 5.864 1.00 0.00 H new ATOM 0 HA LEU A 17 31.028 21.123 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.064 18.268 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.601 18.675 5.338 1.00 0.00 H new ATOM 0 HG LEU A 17 30.934 19.329 8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 17 32.258 17.342 8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.799 16.909 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 17 32.389 16.913 7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 17 33.381 19.505 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 17 33.557 19.162 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 17 32.742 20.651 7.234 1.00 0.00 H new ATOM 265 N PRO A 18 31.423 20.774 3.594 1.00 0.00 N ATOM 266 CA PRO A 18 31.510 20.937 2.140 1.00 0.00 C ATOM 267 C PRO A 18 31.295 19.624 1.395 1.00 0.00 C ATOM 268 O PRO A 18 30.897 18.622 1.987 1.00 0.00 O ATOM 269 CB PRO A 18 32.939 21.445 1.926 1.00 0.00 C ATOM 270 CG PRO A 18 33.700 20.942 3.103 1.00 0.00 C ATOM 271 CD PRO A 18 32.730 20.937 4.252 1.00 0.00 C ATOM 0 HA PRO A 18 30.741 21.609 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 18 33.358 21.068 0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 18 32.968 22.533 1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.090 19.941 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 18 34.556 21.583 3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 18 32.934 20.123 4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 18 32.779 21.864 4.824 1.00 0.00 H new ATOM 279 N ASN A 19 31.559 19.638 0.093 1.00 0.00 N ATOM 280 CA ASN A 19 31.394 18.448 -0.733 1.00 0.00 C ATOM 281 C ASN A 19 29.931 18.018 -0.781 1.00 0.00 C ATOM 282 O ASN A 19 29.625 16.831 -0.896 1.00 0.00 O ATOM 283 CB ASN A 19 32.256 17.304 -0.195 1.00 0.00 C ATOM 284 CG ASN A 19 32.752 16.387 -1.296 1.00 0.00 C ATOM 285 OD1 ASN A 19 32.422 15.201 -1.328 1.00 0.00 O ATOM 286 ND2 ASN A 19 33.551 16.933 -2.206 1.00 0.00 N ATOM 0 H ASN A 19 31.888 20.460 -0.413 1.00 0.00 H new ATOM 0 HA ASN A 19 31.716 18.692 -1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 19 33.110 17.717 0.342 1.00 0.00 H new ATOM 0 HB3 ASN A 19 31.678 16.724 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 19 33.917 16.365 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 19 33.799 17.920 -2.141 1.00 0.00 H new ATOM 293 N ALA A 20 29.030 18.991 -0.691 1.00 0.00 N ATOM 294 CA ALA A 20 27.600 18.714 -0.727 1.00 0.00 C ATOM 295 C ALA A 20 27.224 17.637 0.285 1.00 0.00 C ATOM 296 O ALA A 20 26.709 16.579 -0.081 1.00 0.00 O ATOM 297 CB ALA A 20 27.177 18.296 -2.127 1.00 0.00 C ATOM 0 H ALA A 20 29.266 19.978 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 20 27.072 19.629 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 20 26.106 18.092 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 20 27.401 19.099 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 20 27.720 17.397 -2.418 1.00 0.00 H new ATOM 303 N THR A 21 27.485 17.911 1.559 1.00 0.00 N ATOM 304 CA THR A 21 27.177 16.964 2.623 1.00 0.00 C ATOM 305 C THR A 21 26.665 17.682 3.867 1.00 0.00 C ATOM 306 O THR A 21 27.045 18.821 4.139 1.00 0.00 O ATOM 307 CB THR A 21 28.410 16.122 3.002 1.00 0.00 C ATOM 308 OG1 THR A 21 29.189 15.841 1.833 1.00 0.00 O ATOM 309 CG2 THR A 21 27.992 14.818 3.665 1.00 0.00 C ATOM 0 H THR A 21 27.909 18.782 1.879 1.00 0.00 H new ATOM 0 HA THR A 21 26.399 16.303 2.241 1.00 0.00 H new ATOM 0 HB THR A 21 29.010 16.694 3.709 1.00 0.00 H new ATOM 0 HG1 THR A 21 29.822 16.573 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.880 14.240 3.924 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.424 15.035 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.372 14.243 2.977 1.00 0.00 H new ATOM 317 N PHE A 22 25.800 17.009 4.619 1.00 0.00 N ATOM 318 CA PHE A 22 25.235 17.584 5.834 1.00 0.00 C ATOM 319 C PHE A 22 24.811 16.488 6.808 1.00 0.00 C ATOM 320 O PHE A 22 24.507 15.366 6.402 1.00 0.00 O ATOM 321 CB PHE A 22 24.037 18.472 5.495 1.00 0.00 C ATOM 322 CG PHE A 22 24.421 19.788 4.880 1.00 0.00 C ATOM 323 CD1 PHE A 22 24.753 20.870 5.679 1.00 0.00 C ATOM 324 CD2 PHE A 22 24.449 19.943 3.504 1.00 0.00 C ATOM 325 CE1 PHE A 22 25.106 22.082 5.116 1.00 0.00 C ATOM 326 CE2 PHE A 22 24.802 21.152 2.935 1.00 0.00 C ATOM 327 CZ PHE A 22 25.132 22.223 3.743 1.00 0.00 C ATOM 0 H PHE A 22 25.475 16.065 4.408 1.00 0.00 H new ATOM 0 HA PHE A 22 26.005 18.191 6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 22 23.381 17.937 4.808 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.464 18.658 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 22 24.736 20.765 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 22 24.192 19.109 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.361 22.918 5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.820 21.259 1.861 1.00 0.00 H new ATOM 0 HZ PHE A 22 25.410 23.169 3.301 1.00 0.00 H new ATOM 337 N ARG A 23 24.794 16.822 8.094 1.00 0.00 N ATOM 338 CA ARG A 23 24.409 15.867 9.126 1.00 0.00 C ATOM 339 C ARG A 23 23.208 16.376 9.918 1.00 0.00 C ATOM 340 O ARG A 23 23.292 17.392 10.608 1.00 0.00 O ATOM 341 CB ARG A 23 25.583 15.605 10.072 1.00 0.00 C ATOM 342 CG ARG A 23 25.624 14.185 10.613 1.00 0.00 C ATOM 343 CD ARG A 23 26.690 14.029 11.686 1.00 0.00 C ATOM 344 NE ARG A 23 27.195 12.660 11.760 1.00 0.00 N ATOM 345 CZ ARG A 23 28.112 12.170 10.933 1.00 0.00 C ATOM 346 NH1 ARG A 23 28.622 12.932 9.976 1.00 0.00 N ATOM 347 NH2 ARG A 23 28.522 10.915 11.064 1.00 0.00 N ATOM 0 H ARG A 23 25.042 17.747 8.446 1.00 0.00 H new ATOM 0 HA ARG A 23 24.130 14.934 8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.515 15.812 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.527 16.302 10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 23 24.650 13.923 11.026 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.822 13.489 9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.516 14.709 11.478 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.276 14.316 12.653 1.00 0.00 H new ATOM 0 HE ARG A 23 26.823 12.047 12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.311 13.898 9.873 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.326 12.553 9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 23 28.133 10.326 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 23 29.226 10.540 10.429 1.00 0.00 H new ATOM 361 N VAL A 24 22.091 15.664 9.812 1.00 0.00 N ATOM 362 CA VAL A 24 20.873 16.043 10.517 1.00 0.00 C ATOM 363 C VAL A 24 20.644 15.154 11.735 1.00 0.00 C ATOM 364 O VAL A 24 20.856 13.942 11.682 1.00 0.00 O ATOM 365 CB VAL A 24 19.641 15.960 9.596 1.00 0.00 C ATOM 366 CG1 VAL A 24 19.317 14.510 9.267 1.00 0.00 C ATOM 367 CG2 VAL A 24 18.448 16.649 10.239 1.00 0.00 C ATOM 0 H VAL A 24 22.005 14.821 9.244 1.00 0.00 H new ATOM 0 HA VAL A 24 21.004 17.075 10.843 1.00 0.00 H new ATOM 0 HB VAL A 24 19.870 16.476 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 24 18.444 14.471 8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 24 20.168 14.053 8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 24 19.107 13.966 10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 24 17.587 16.581 9.574 1.00 0.00 H new ATOM 0 HG22 VAL A 24 18.215 16.163 11.187 1.00 0.00 H new ATOM 0 HG23 VAL A 24 18.686 17.698 10.418 1.00 0.00 H new ATOM 377 N LYS A 25 20.208 15.764 12.832 1.00 0.00 N ATOM 378 CA LYS A 25 19.948 15.029 14.064 1.00 0.00 C ATOM 379 C LYS A 25 18.456 14.756 14.230 1.00 0.00 C ATOM 380 O LYS A 25 17.626 15.643 14.027 1.00 0.00 O ATOM 381 CB LYS A 25 20.471 15.813 15.270 1.00 0.00 C ATOM 382 CG LYS A 25 19.604 17.002 15.645 1.00 0.00 C ATOM 383 CD LYS A 25 20.137 17.715 16.876 1.00 0.00 C ATOM 384 CE LYS A 25 19.782 16.966 18.151 1.00 0.00 C ATOM 385 NZ LYS A 25 20.816 15.955 18.506 1.00 0.00 N ATOM 0 H LYS A 25 20.027 16.766 12.893 1.00 0.00 H new ATOM 0 HA LYS A 25 20.470 14.074 14.005 1.00 0.00 H new ATOM 0 HB2 LYS A 25 20.542 15.142 16.126 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.480 16.164 15.055 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.561 17.700 14.809 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.584 16.665 15.832 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.220 17.814 16.800 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.727 18.724 16.919 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.672 17.676 18.971 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.819 16.472 18.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.954 15.946 19.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.504 15.014 18.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.713 16.197 18.039 1.00 0.00 H new ATOM 399 N LEU A 26 18.122 13.525 14.601 1.00 0.00 N ATOM 400 CA LEU A 26 16.730 13.136 14.796 1.00 0.00 C ATOM 401 C LEU A 26 16.221 13.598 16.157 1.00 0.00 C ATOM 402 O LEU A 26 16.666 14.617 16.684 1.00 0.00 O ATOM 403 CB LEU A 26 16.582 11.618 14.671 1.00 0.00 C ATOM 404 CG LEU A 26 17.415 10.950 13.576 1.00 0.00 C ATOM 405 CD1 LEU A 26 18.617 10.241 14.179 1.00 0.00 C ATOM 406 CD2 LEU A 26 16.562 9.975 12.778 1.00 0.00 C ATOM 0 H LEU A 26 18.796 12.779 14.773 1.00 0.00 H new ATOM 0 HA LEU A 26 16.132 13.618 14.023 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.847 11.167 15.627 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.532 11.389 14.491 1.00 0.00 H new ATOM 0 HG LEU A 26 17.778 11.723 12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.198 9.771 13.385 1.00 0.00 H new ATOM 0 HD12 LEU A 26 19.240 10.964 14.706 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.276 9.478 14.879 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.171 9.509 12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.170 9.206 13.443 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.733 10.511 12.315 1.00 0.00 H new ATOM 418 N GLU A 27 15.287 12.839 16.723 1.00 0.00 N ATOM 419 CA GLU A 27 14.719 13.171 18.024 1.00 0.00 C ATOM 420 C GLU A 27 15.471 12.459 19.144 1.00 0.00 C ATOM 421 O GLU A 27 15.694 13.024 20.214 1.00 0.00 O ATOM 422 CB GLU A 27 13.237 12.794 18.070 1.00 0.00 C ATOM 423 CG GLU A 27 12.341 13.751 17.302 1.00 0.00 C ATOM 424 CD GLU A 27 12.312 15.139 17.910 1.00 0.00 C ATOM 425 OE1 GLU A 27 11.862 15.269 19.068 1.00 0.00 O ATOM 426 OE2 GLU A 27 12.740 16.095 17.230 1.00 0.00 O ATOM 0 H GLU A 27 14.908 11.991 16.301 1.00 0.00 H new ATOM 0 HA GLU A 27 14.817 14.247 18.170 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.114 11.790 17.665 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.912 12.760 19.110 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.687 13.818 16.270 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.328 13.350 17.273 1.00 0.00 H new ATOM 433 N ASN A 28 15.860 11.213 18.889 1.00 0.00 N ATOM 434 CA ASN A 28 16.586 10.422 19.875 1.00 0.00 C ATOM 435 C ASN A 28 17.967 11.014 20.138 1.00 0.00 C ATOM 436 O ASN A 28 18.635 10.655 21.107 1.00 0.00 O ATOM 437 CB ASN A 28 16.722 8.974 19.398 1.00 0.00 C ATOM 438 CG ASN A 28 17.239 8.880 17.976 1.00 0.00 C ATOM 439 OD1 ASN A 28 17.793 9.840 17.440 1.00 0.00 O ATOM 440 ND2 ASN A 28 17.059 7.719 17.357 1.00 0.00 N ATOM 0 H ASN A 28 15.684 10.730 18.008 1.00 0.00 H new ATOM 0 HA ASN A 28 16.020 10.439 20.806 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.398 8.437 20.064 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.752 8.480 19.462 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.385 7.596 16.398 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.594 6.950 17.840 1.00 0.00 H new ATOM 447 N GLY A 29 18.390 11.926 19.267 1.00 0.00 N ATOM 448 CA GLY A 29 19.689 12.554 19.422 1.00 0.00 C ATOM 449 C GLY A 29 20.670 12.130 18.347 1.00 0.00 C ATOM 450 O GLY A 29 21.614 12.858 18.036 1.00 0.00 O ATOM 0 H GLY A 29 17.856 12.241 18.457 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.571 13.637 19.395 1.00 0.00 H new ATOM 0 HA3 GLY A 29 20.096 12.302 20.401 1.00 0.00 H new ATOM 454 N HIS A 30 20.448 10.949 17.778 1.00 0.00 N ATOM 455 CA HIS A 30 21.322 10.429 16.732 1.00 0.00 C ATOM 456 C HIS A 30 21.402 11.400 15.558 1.00 0.00 C ATOM 457 O HIS A 30 20.540 12.263 15.393 1.00 0.00 O ATOM 458 CB HIS A 30 20.819 9.068 16.249 1.00 0.00 C ATOM 459 CG HIS A 30 21.305 7.921 17.081 1.00 0.00 C ATOM 460 ND1 HIS A 30 21.381 6.628 16.609 1.00 0.00 N ATOM 461 CD2 HIS A 30 21.742 7.879 18.362 1.00 0.00 C ATOM 462 CE1 HIS A 30 21.842 5.839 17.563 1.00 0.00 C ATOM 463 NE2 HIS A 30 22.070 6.574 18.637 1.00 0.00 N ATOM 0 H HIS A 30 19.671 10.335 18.023 1.00 0.00 H new ATOM 0 HA HIS A 30 22.321 10.312 17.152 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.729 9.071 16.250 1.00 0.00 H new ATOM 0 HB3 HIS A 30 21.136 8.918 15.217 1.00 0.00 H new ATOM 0 HD2 HIS A 30 21.818 8.716 19.041 1.00 0.00 H new ATOM 0 HE1 HIS A 30 22.005 4.775 17.479 1.00 0.00 H new ATOM 0 HE2 HIS A 30 22.431 6.228 19.526 1.00 0.00 H new ATOM 471 N VAL A 31 22.444 11.254 14.745 1.00 0.00 N ATOM 472 CA VAL A 31 22.636 12.118 13.587 1.00 0.00 C ATOM 473 C VAL A 31 23.028 11.308 12.356 1.00 0.00 C ATOM 474 O VAL A 31 23.915 10.457 12.416 1.00 0.00 O ATOM 475 CB VAL A 31 23.719 13.181 13.853 1.00 0.00 C ATOM 476 CG1 VAL A 31 23.211 14.226 14.836 1.00 0.00 C ATOM 477 CG2 VAL A 31 24.992 12.527 14.368 1.00 0.00 C ATOM 0 H VAL A 31 23.168 10.546 14.867 1.00 0.00 H new ATOM 0 HA VAL A 31 21.684 12.617 13.403 1.00 0.00 H new ATOM 0 HB VAL A 31 23.950 13.683 12.913 1.00 0.00 H new ATOM 0 HG11 VAL A 31 23.989 14.969 15.012 1.00 0.00 H new ATOM 0 HG12 VAL A 31 22.329 14.715 14.423 1.00 0.00 H new ATOM 0 HG13 VAL A 31 22.951 13.743 15.778 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.746 13.293 14.551 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.779 11.998 15.297 1.00 0.00 H new ATOM 0 HG23 VAL A 31 25.364 11.821 13.626 1.00 0.00 H new ATOM 487 N VAL A 32 22.360 11.578 11.239 1.00 0.00 N ATOM 488 CA VAL A 32 22.639 10.875 9.992 1.00 0.00 C ATOM 489 C VAL A 32 23.354 11.783 8.998 1.00 0.00 C ATOM 490 O VAL A 32 23.033 12.966 8.878 1.00 0.00 O ATOM 491 CB VAL A 32 21.346 10.343 9.347 1.00 0.00 C ATOM 492 CG1 VAL A 32 20.593 9.446 10.318 1.00 0.00 C ATOM 493 CG2 VAL A 32 20.468 11.497 8.884 1.00 0.00 C ATOM 0 H VAL A 32 21.622 12.279 11.172 1.00 0.00 H new ATOM 0 HA VAL A 32 23.285 10.033 10.240 1.00 0.00 H new ATOM 0 HB VAL A 32 21.615 9.747 8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 32 19.682 9.080 9.844 1.00 0.00 H new ATOM 0 HG12 VAL A 32 21.223 8.601 10.595 1.00 0.00 H new ATOM 0 HG13 VAL A 32 20.334 10.014 11.212 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.558 11.103 8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.207 12.121 9.739 1.00 0.00 H new ATOM 0 HG23 VAL A 32 21.009 12.095 8.151 1.00 0.00 H new ATOM 503 N LEU A 33 24.325 11.222 8.286 1.00 0.00 N ATOM 504 CA LEU A 33 25.087 11.980 7.300 1.00 0.00 C ATOM 505 C LEU A 33 24.651 11.623 5.883 1.00 0.00 C ATOM 506 O LEU A 33 24.479 10.451 5.552 1.00 0.00 O ATOM 507 CB LEU A 33 26.584 11.713 7.468 1.00 0.00 C ATOM 508 CG LEU A 33 27.521 12.605 6.653 1.00 0.00 C ATOM 509 CD1 LEU A 33 27.573 14.005 7.245 1.00 0.00 C ATOM 510 CD2 LEU A 33 28.915 11.999 6.590 1.00 0.00 C ATOM 0 H LEU A 33 24.603 10.245 8.373 1.00 0.00 H new ATOM 0 HA LEU A 33 24.893 13.040 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 33 26.836 11.823 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 33 26.780 10.675 7.200 1.00 0.00 H new ATOM 0 HG LEU A 33 27.132 12.676 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 33 28.245 14.626 6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 33 26.574 14.441 7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 33 27.938 13.953 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 33 29.568 12.648 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 33 29.313 11.897 7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 33 28.864 11.017 6.119 1.00 0.00 H new ATOM 522 N GLY A 34 24.477 12.644 5.048 1.00 0.00 N ATOM 523 CA GLY A 34 24.064 12.417 3.675 1.00 0.00 C ATOM 524 C GLY A 34 24.377 13.594 2.774 1.00 0.00 C ATOM 525 O GLY A 34 25.032 14.549 3.193 1.00 0.00 O ATOM 0 H GLY A 34 24.615 13.623 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 34 24.563 11.527 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.993 12.218 3.649 1.00 0.00 H new ATOM 529 N HIS A 35 23.910 13.527 1.531 1.00 0.00 N ATOM 530 CA HIS A 35 24.145 14.596 0.567 1.00 0.00 C ATOM 531 C HIS A 35 22.828 15.099 -0.018 1.00 0.00 C ATOM 532 O HIS A 35 21.883 14.330 -0.194 1.00 0.00 O ATOM 533 CB HIS A 35 25.062 14.108 -0.555 1.00 0.00 C ATOM 534 CG HIS A 35 24.653 12.787 -1.130 1.00 0.00 C ATOM 535 ND1 HIS A 35 23.723 12.662 -2.141 1.00 0.00 N ATOM 536 CD2 HIS A 35 25.054 11.529 -0.833 1.00 0.00 C ATOM 537 CE1 HIS A 35 23.568 11.384 -2.439 1.00 0.00 C ATOM 538 NE2 HIS A 35 24.365 10.676 -1.660 1.00 0.00 N ATOM 0 H HIS A 35 23.367 12.744 1.168 1.00 0.00 H new ATOM 0 HA HIS A 35 24.630 15.422 1.088 1.00 0.00 H new ATOM 0 HB2 HIS A 35 25.077 14.853 -1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 35 26.080 14.029 -0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 35 25.781 11.248 -0.085 1.00 0.00 H new ATOM 0 HE1 HIS A 35 22.903 10.986 -3.191 1.00 0.00 H new ATOM 0 HE2 HIS A 35 24.455 9.660 -1.671 1.00 0.00 H new ATOM 546 N ILE A 36 22.775 16.392 -0.317 1.00 0.00 N ATOM 547 CA ILE A 36 21.575 16.996 -0.883 1.00 0.00 C ATOM 548 C ILE A 36 21.704 17.165 -2.393 1.00 0.00 C ATOM 549 O ILE A 36 22.786 17.451 -2.905 1.00 0.00 O ATOM 550 CB ILE A 36 21.282 18.368 -0.247 1.00 0.00 C ATOM 551 CG1 ILE A 36 19.928 18.897 -0.725 1.00 0.00 C ATOM 552 CG2 ILE A 36 22.390 19.354 -0.581 1.00 0.00 C ATOM 553 CD1 ILE A 36 20.023 19.786 -1.945 1.00 0.00 C ATOM 0 H ILE A 36 23.549 17.042 -0.177 1.00 0.00 H new ATOM 0 HA ILE A 36 20.748 16.320 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 36 21.243 18.249 0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.276 18.053 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.458 19.455 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.168 20.319 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.338 18.980 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 36 22.459 19.472 -1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.026 20.124 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 36 20.648 20.650 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 36 20.463 19.226 -2.770 1.00 0.00 H new ATOM 565 N SER A 37 20.593 16.988 -3.100 1.00 0.00 N ATOM 566 CA SER A 37 20.582 17.120 -4.552 1.00 0.00 C ATOM 567 C SER A 37 19.372 17.926 -5.016 1.00 0.00 C ATOM 568 O SER A 37 18.343 17.965 -4.342 1.00 0.00 O ATOM 569 CB SER A 37 20.571 15.739 -5.210 1.00 0.00 C ATOM 570 OG SER A 37 20.563 15.847 -6.623 1.00 0.00 O ATOM 0 H SER A 37 19.689 16.753 -2.691 1.00 0.00 H new ATOM 0 HA SER A 37 21.486 17.651 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.446 15.174 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.694 15.182 -4.880 1.00 0.00 H new ATOM 0 HG SER A 37 20.558 14.951 -7.020 1.00 0.00 H new ATOM 576 N GLY A 38 19.504 18.568 -6.172 1.00 0.00 N ATOM 577 CA GLY A 38 18.416 19.365 -6.707 1.00 0.00 C ATOM 578 C GLY A 38 18.900 20.456 -7.641 1.00 0.00 C ATOM 579 O GLY A 38 20.099 20.580 -7.894 1.00 0.00 O ATOM 0 H GLY A 38 20.346 18.550 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.723 18.715 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 38 17.861 19.816 -5.884 1.00 0.00 H new ATOM 583 N LYS A 39 17.967 21.248 -8.158 1.00 0.00 N ATOM 584 CA LYS A 39 18.304 22.334 -9.071 1.00 0.00 C ATOM 585 C LYS A 39 18.529 23.635 -8.308 1.00 0.00 C ATOM 586 O LYS A 39 19.162 24.561 -8.815 1.00 0.00 O ATOM 587 CB LYS A 39 17.192 22.522 -10.105 1.00 0.00 C ATOM 588 CG LYS A 39 16.743 21.226 -10.759 1.00 0.00 C ATOM 589 CD LYS A 39 15.509 21.434 -11.620 1.00 0.00 C ATOM 590 CE LYS A 39 14.250 21.546 -10.772 1.00 0.00 C ATOM 591 NZ LYS A 39 13.024 21.235 -11.558 1.00 0.00 N ATOM 0 H LYS A 39 16.970 21.158 -7.960 1.00 0.00 H new ATOM 0 HA LYS A 39 19.228 22.070 -9.585 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.335 22.992 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.538 23.208 -10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.552 20.827 -11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.530 20.484 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.629 22.338 -12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.406 20.603 -12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.321 20.864 -9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.175 22.554 -10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.188 21.322 -10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.943 21.901 -12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.084 20.264 -11.926 1.00 0.00 H new ATOM 605 N MET A 40 18.007 23.698 -7.087 1.00 0.00 N ATOM 606 CA MET A 40 18.154 24.886 -6.254 1.00 0.00 C ATOM 607 C MET A 40 19.487 24.868 -5.512 1.00 0.00 C ATOM 608 O MET A 40 19.964 25.905 -5.050 1.00 0.00 O ATOM 609 CB MET A 40 17.001 24.979 -5.253 1.00 0.00 C ATOM 610 CG MET A 40 15.743 25.606 -5.832 1.00 0.00 C ATOM 611 SD MET A 40 14.593 24.380 -6.485 1.00 0.00 S ATOM 612 CE MET A 40 14.215 23.448 -5.003 1.00 0.00 C ATOM 0 H MET A 40 17.479 22.941 -6.653 1.00 0.00 H new ATOM 0 HA MET A 40 18.132 25.760 -6.904 1.00 0.00 H new ATOM 0 HB2 MET A 40 16.765 23.979 -4.890 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.325 25.563 -4.391 1.00 0.00 H new ATOM 0 HG2 MET A 40 15.244 26.191 -5.059 1.00 0.00 H new ATOM 0 HG3 MET A 40 16.020 26.299 -6.627 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.197 23.063 -5.065 1.00 0.00 H new ATOM 0 HE2 MET A 40 14.913 22.616 -4.908 1.00 0.00 H new ATOM 0 HE3 MET A 40 14.304 24.097 -4.132 1.00 0.00 H new ATOM 622 N ARG A 41 20.082 23.685 -5.403 1.00 0.00 N ATOM 623 CA ARG A 41 21.359 23.533 -4.716 1.00 0.00 C ATOM 624 C ARG A 41 22.515 23.957 -5.617 1.00 0.00 C ATOM 625 O ARG A 41 23.645 24.120 -5.158 1.00 0.00 O ATOM 626 CB ARG A 41 21.553 22.083 -4.268 1.00 0.00 C ATOM 627 CG ARG A 41 21.716 21.107 -5.422 1.00 0.00 C ATOM 628 CD ARG A 41 22.913 20.193 -5.213 1.00 0.00 C ATOM 629 NE ARG A 41 24.046 20.575 -6.053 1.00 0.00 N ATOM 630 CZ ARG A 41 25.235 19.986 -5.995 1.00 0.00 C ATOM 631 NH1 ARG A 41 25.446 18.993 -5.142 1.00 0.00 N ATOM 632 NH2 ARG A 41 26.216 20.390 -6.792 1.00 0.00 N ATOM 0 H ARG A 41 19.701 22.818 -5.781 1.00 0.00 H new ATOM 0 HA ARG A 41 21.349 24.179 -3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.432 22.024 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.697 21.780 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.812 20.507 -5.523 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.837 21.660 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.212 20.221 -4.165 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.627 19.165 -5.435 1.00 0.00 H new ATOM 0 HE ARG A 41 23.917 21.336 -6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 41 24.694 18.680 -4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.360 18.543 -5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.057 21.153 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.129 19.937 -6.747 1.00 0.00 H new ATOM 646 N MET A 42 22.224 24.133 -6.902 1.00 0.00 N ATOM 647 CA MET A 42 23.239 24.538 -7.867 1.00 0.00 C ATOM 648 C MET A 42 23.490 26.041 -7.793 1.00 0.00 C ATOM 649 O MET A 42 24.466 26.546 -8.350 1.00 0.00 O ATOM 650 CB MET A 42 22.811 24.150 -9.283 1.00 0.00 C ATOM 651 CG MET A 42 23.978 23.892 -10.222 1.00 0.00 C ATOM 652 SD MET A 42 24.404 25.337 -11.213 1.00 0.00 S ATOM 653 CE MET A 42 25.043 24.555 -12.693 1.00 0.00 C ATOM 0 H MET A 42 21.294 24.001 -7.299 1.00 0.00 H new ATOM 0 HA MET A 42 24.166 24.020 -7.621 1.00 0.00 H new ATOM 0 HB2 MET A 42 22.190 23.255 -9.234 1.00 0.00 H new ATOM 0 HB3 MET A 42 22.191 24.945 -9.697 1.00 0.00 H new ATOM 0 HG2 MET A 42 24.847 23.586 -9.640 1.00 0.00 H new ATOM 0 HG3 MET A 42 23.730 23.062 -10.884 1.00 0.00 H new ATOM 0 HE1 MET A 42 25.350 25.321 -13.406 1.00 0.00 H new ATOM 0 HE2 MET A 42 25.901 23.935 -12.435 1.00 0.00 H new ATOM 0 HE3 MET A 42 24.267 23.933 -13.140 1.00 0.00 H new ATOM 663 N HIS A 43 22.604 26.752 -7.102 1.00 0.00 N ATOM 664 CA HIS A 43 22.730 28.197 -6.956 1.00 0.00 C ATOM 665 C HIS A 43 23.476 28.550 -5.672 1.00 0.00 C ATOM 666 O HIS A 43 23.408 29.683 -5.195 1.00 0.00 O ATOM 667 CB HIS A 43 21.349 28.854 -6.954 1.00 0.00 C ATOM 668 CG HIS A 43 21.351 30.255 -7.483 1.00 0.00 C ATOM 669 ND1 HIS A 43 21.229 31.365 -6.674 1.00 0.00 N ATOM 670 CD2 HIS A 43 21.464 30.724 -8.748 1.00 0.00 C ATOM 671 CE1 HIS A 43 21.264 32.455 -7.418 1.00 0.00 C ATOM 672 NE2 HIS A 43 21.407 32.094 -8.681 1.00 0.00 N ATOM 0 H HIS A 43 21.791 26.350 -6.635 1.00 0.00 H new ATOM 0 HA HIS A 43 23.302 28.574 -7.804 1.00 0.00 H new ATOM 0 HB2 HIS A 43 20.667 28.250 -7.552 1.00 0.00 H new ATOM 0 HB3 HIS A 43 20.960 28.859 -5.936 1.00 0.00 H new ATOM 0 HD2 HIS A 43 21.578 30.131 -9.643 1.00 0.00 H new ATOM 0 HE1 HIS A 43 21.189 33.470 -7.056 1.00 0.00 H new ATOM 0 HE2 HIS A 43 21.466 32.730 -9.477 1.00 0.00 H new ATOM 680 N TYR A 44 24.185 27.573 -5.119 1.00 0.00 N ATOM 681 CA TYR A 44 24.941 27.780 -3.889 1.00 0.00 C ATOM 682 C TYR A 44 24.058 28.387 -2.803 1.00 0.00 C ATOM 683 O TYR A 44 24.395 29.416 -2.217 1.00 0.00 O ATOM 684 CB TYR A 44 26.143 28.688 -4.151 1.00 0.00 C ATOM 685 CG TYR A 44 27.278 28.487 -3.172 1.00 0.00 C ATOM 686 CD1 TYR A 44 27.790 27.220 -2.922 1.00 0.00 C ATOM 687 CD2 TYR A 44 27.838 29.565 -2.497 1.00 0.00 C ATOM 688 CE1 TYR A 44 28.826 27.032 -2.028 1.00 0.00 C ATOM 689 CE2 TYR A 44 28.876 29.386 -1.602 1.00 0.00 C ATOM 690 CZ TYR A 44 29.366 28.118 -1.371 1.00 0.00 C ATOM 691 OH TYR A 44 30.398 27.935 -0.479 1.00 0.00 O ATOM 0 H TYR A 44 24.252 26.630 -5.502 1.00 0.00 H new ATOM 0 HA TYR A 44 25.296 26.809 -3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 44 26.510 28.509 -5.162 1.00 0.00 H new ATOM 0 HB3 TYR A 44 25.818 29.728 -4.110 1.00 0.00 H new ATOM 0 HD1 TYR A 44 27.371 26.367 -3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 44 27.456 30.559 -2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 44 29.211 26.040 -1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 44 29.301 30.235 -1.086 1.00 0.00 H new ATOM 0 HH TYR A 44 30.664 28.801 -0.104 1.00 0.00 H new ATOM 701 N ILE A 45 22.927 27.741 -2.539 1.00 0.00 N ATOM 702 CA ILE A 45 21.996 28.215 -1.523 1.00 0.00 C ATOM 703 C ILE A 45 22.671 28.306 -0.159 1.00 0.00 C ATOM 704 O ILE A 45 23.682 27.648 0.091 1.00 0.00 O ATOM 705 CB ILE A 45 20.766 27.295 -1.413 1.00 0.00 C ATOM 706 CG1 ILE A 45 21.203 25.833 -1.295 1.00 0.00 C ATOM 707 CG2 ILE A 45 19.854 27.485 -2.616 1.00 0.00 C ATOM 708 CD1 ILE A 45 20.222 24.969 -0.535 1.00 0.00 C ATOM 0 H ILE A 45 22.634 26.888 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 45 21.670 29.208 -1.832 1.00 0.00 H new ATOM 0 HB ILE A 45 20.211 27.562 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 45 21.339 25.421 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 45 22.172 25.791 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 45 18.989 26.828 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 45 19.520 28.522 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 45 20.399 27.242 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 45 20.596 23.946 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 45 20.104 25.356 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 45 19.258 24.981 -1.043 1.00 0.00 H new ATOM 720 N ARG A 46 22.106 29.125 0.722 1.00 0.00 N ATOM 721 CA ARG A 46 22.653 29.302 2.062 1.00 0.00 C ATOM 722 C ARG A 46 22.086 28.261 3.022 1.00 0.00 C ATOM 723 O ARG A 46 20.870 28.133 3.168 1.00 0.00 O ATOM 724 CB ARG A 46 22.346 30.709 2.579 1.00 0.00 C ATOM 725 CG ARG A 46 22.854 31.816 1.670 1.00 0.00 C ATOM 726 CD ARG A 46 24.372 31.893 1.681 1.00 0.00 C ATOM 727 NE ARG A 46 24.877 32.594 2.858 1.00 0.00 N ATOM 728 CZ ARG A 46 26.163 32.858 3.062 1.00 0.00 C ATOM 729 NH1 ARG A 46 27.069 32.481 2.171 1.00 0.00 N ATOM 730 NH2 ARG A 46 26.544 33.501 4.158 1.00 0.00 N ATOM 0 H ARG A 46 21.269 29.677 0.532 1.00 0.00 H new ATOM 0 HA ARG A 46 23.734 29.170 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 46 21.268 30.815 2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 46 22.791 30.829 3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.505 31.642 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 46 22.438 32.771 1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 46 24.786 30.885 1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.715 32.403 0.781 1.00 0.00 H new ATOM 0 HE ARG A 46 24.205 32.898 3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 46 26.779 31.987 1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 46 28.056 32.685 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 46 25.849 33.793 4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 46 27.532 33.703 4.313 1.00 0.00 H new ATOM 744 N ILE A 47 22.975 27.519 3.674 1.00 0.00 N ATOM 745 CA ILE A 47 22.564 26.490 4.621 1.00 0.00 C ATOM 746 C ILE A 47 23.277 26.656 5.958 1.00 0.00 C ATOM 747 O ILE A 47 24.440 27.059 6.009 1.00 0.00 O ATOM 748 CB ILE A 47 22.844 25.078 4.074 1.00 0.00 C ATOM 749 CG1 ILE A 47 22.149 24.882 2.725 1.00 0.00 C ATOM 750 CG2 ILE A 47 22.386 24.023 5.070 1.00 0.00 C ATOM 751 CD1 ILE A 47 22.426 23.536 2.092 1.00 0.00 C ATOM 0 H ILE A 47 23.985 27.611 3.564 1.00 0.00 H new ATOM 0 HA ILE A 47 21.490 26.608 4.768 1.00 0.00 H new ATOM 0 HB ILE A 47 23.918 24.969 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.073 24.997 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.470 25.669 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.591 23.030 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 47 22.923 24.152 6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 47 21.316 24.129 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.901 23.467 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.498 23.426 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.079 22.744 2.755 1.00 0.00 H new ATOM 763 N LEU A 48 22.574 26.340 7.040 1.00 0.00 N ATOM 764 CA LEU A 48 23.140 26.452 8.380 1.00 0.00 C ATOM 765 C LEU A 48 22.442 25.502 9.347 1.00 0.00 C ATOM 766 O LEU A 48 21.331 25.031 9.101 1.00 0.00 O ATOM 767 CB LEU A 48 23.022 27.891 8.886 1.00 0.00 C ATOM 768 CG LEU A 48 24.196 28.815 8.561 1.00 0.00 C ATOM 769 CD1 LEU A 48 23.916 29.607 7.293 1.00 0.00 C ATOM 770 CD2 LEU A 48 24.475 29.753 9.727 1.00 0.00 C ATOM 0 H LEU A 48 21.611 26.004 7.016 1.00 0.00 H new ATOM 0 HA LEU A 48 24.193 26.177 8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.115 28.328 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.895 27.865 9.968 1.00 0.00 H new ATOM 0 HG LEU A 48 25.081 28.202 8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.762 30.259 7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 48 23.766 28.920 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 48 23.019 30.210 7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 48 25.314 30.403 9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 48 23.592 30.360 9.925 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.720 29.168 10.614 1.00 0.00 H new ATOM 782 N PRO A 49 23.106 25.213 10.477 1.00 0.00 N ATOM 783 CA PRO A 49 22.566 24.319 11.505 1.00 0.00 C ATOM 784 C PRO A 49 21.381 24.932 12.243 1.00 0.00 C ATOM 785 O PRO A 49 21.398 26.111 12.594 1.00 0.00 O ATOM 786 CB PRO A 49 23.747 24.124 12.460 1.00 0.00 C ATOM 787 CG PRO A 49 24.586 25.341 12.278 1.00 0.00 C ATOM 788 CD PRO A 49 24.433 25.738 10.836 1.00 0.00 C ATOM 0 HA PRO A 49 22.186 23.391 11.079 1.00 0.00 H new ATOM 0 HB2 PRO A 49 23.410 24.026 13.492 1.00 0.00 H new ATOM 0 HB3 PRO A 49 24.305 23.219 12.220 1.00 0.00 H new ATOM 0 HG2 PRO A 49 24.259 26.143 12.940 1.00 0.00 H new ATOM 0 HG3 PRO A 49 25.629 25.135 12.517 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.485 26.819 10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 49 25.218 25.306 10.215 1.00 0.00 H new ATOM 796 N GLY A 50 20.352 24.123 12.476 1.00 0.00 N ATOM 797 CA GLY A 50 19.172 24.605 13.171 1.00 0.00 C ATOM 798 C GLY A 50 17.947 24.639 12.279 1.00 0.00 C ATOM 799 O GLY A 50 16.914 25.193 12.654 1.00 0.00 O ATOM 0 H GLY A 50 20.314 23.143 12.196 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.974 23.965 14.031 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.365 25.606 13.556 1.00 0.00 H new ATOM 803 N ASP A 51 18.063 24.048 11.096 1.00 0.00 N ATOM 804 CA ASP A 51 16.956 24.014 10.147 1.00 0.00 C ATOM 805 C ASP A 51 16.349 22.616 10.070 1.00 0.00 C ATOM 806 O ASP A 51 17.067 21.618 10.011 1.00 0.00 O ATOM 807 CB ASP A 51 17.430 24.454 8.761 1.00 0.00 C ATOM 808 CG ASP A 51 16.285 24.618 7.782 1.00 0.00 C ATOM 809 OD1 ASP A 51 15.184 25.017 8.217 1.00 0.00 O ATOM 810 OD2 ASP A 51 16.489 24.348 6.580 1.00 0.00 O ATOM 0 H ASP A 51 18.912 23.586 10.771 1.00 0.00 H new ATOM 0 HA ASP A 51 16.189 24.705 10.497 1.00 0.00 H new ATOM 0 HB2 ASP A 51 17.968 25.398 8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 51 18.135 23.720 8.371 1.00 0.00 H new ATOM 815 N LYS A 52 15.022 22.553 10.072 1.00 0.00 N ATOM 816 CA LYS A 52 14.316 21.278 10.003 1.00 0.00 C ATOM 817 C LYS A 52 14.283 20.752 8.572 1.00 0.00 C ATOM 818 O LYS A 52 13.794 21.424 7.664 1.00 0.00 O ATOM 819 CB LYS A 52 12.889 21.432 10.534 1.00 0.00 C ATOM 820 CG LYS A 52 12.825 21.874 11.986 1.00 0.00 C ATOM 821 CD LYS A 52 11.389 21.997 12.468 1.00 0.00 C ATOM 822 CE LYS A 52 11.268 22.997 13.608 1.00 0.00 C ATOM 823 NZ LYS A 52 11.026 24.379 13.110 1.00 0.00 N ATOM 0 H LYS A 52 14.413 23.370 10.121 1.00 0.00 H new ATOM 0 HA LYS A 52 14.852 20.560 10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.357 22.158 9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.367 20.481 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.359 21.157 12.610 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.331 22.833 12.098 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.752 22.308 11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.030 21.022 12.798 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.452 22.700 14.266 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.180 22.980 14.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.950 25.030 13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.817 24.672 12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.142 24.401 12.563 1.00 0.00 H new ATOM 837 N VAL A 53 14.805 19.545 8.378 1.00 0.00 N ATOM 838 CA VAL A 53 14.833 18.928 7.057 1.00 0.00 C ATOM 839 C VAL A 53 14.512 17.440 7.139 1.00 0.00 C ATOM 840 O VAL A 53 14.608 16.830 8.205 1.00 0.00 O ATOM 841 CB VAL A 53 16.205 19.109 6.381 1.00 0.00 C ATOM 842 CG1 VAL A 53 16.561 20.584 6.281 1.00 0.00 C ATOM 843 CG2 VAL A 53 17.278 18.344 7.142 1.00 0.00 C ATOM 0 H VAL A 53 15.214 18.975 9.119 1.00 0.00 H new ATOM 0 HA VAL A 53 14.073 19.429 6.458 1.00 0.00 H new ATOM 0 HB VAL A 53 16.149 18.704 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.534 20.692 5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.805 21.101 5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.600 21.017 7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 53 18.241 18.483 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.335 18.717 8.165 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.028 17.283 7.156 1.00 0.00 H new ATOM 853 N THR A 54 14.130 16.859 6.006 1.00 0.00 N ATOM 854 CA THR A 54 13.793 15.442 5.949 1.00 0.00 C ATOM 855 C THR A 54 14.952 14.624 5.390 1.00 0.00 C ATOM 856 O THR A 54 15.691 15.089 4.522 1.00 0.00 O ATOM 857 CB THR A 54 12.542 15.195 5.086 1.00 0.00 C ATOM 858 OG1 THR A 54 11.549 16.188 5.369 1.00 0.00 O ATOM 859 CG2 THR A 54 11.969 13.810 5.345 1.00 0.00 C ATOM 0 H THR A 54 14.046 17.348 5.115 1.00 0.00 H new ATOM 0 HA THR A 54 13.587 15.125 6.971 1.00 0.00 H new ATOM 0 HB THR A 54 12.833 15.259 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.022 15.911 6.148 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.086 13.659 4.724 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.717 13.055 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.693 13.721 6.396 1.00 0.00 H new ATOM 867 N VAL A 55 15.104 13.402 5.891 1.00 0.00 N ATOM 868 CA VAL A 55 16.172 12.518 5.440 1.00 0.00 C ATOM 869 C VAL A 55 15.675 11.083 5.299 1.00 0.00 C ATOM 870 O VAL A 55 14.958 10.578 6.161 1.00 0.00 O ATOM 871 CB VAL A 55 17.368 12.542 6.409 1.00 0.00 C ATOM 872 CG1 VAL A 55 18.238 13.763 6.153 1.00 0.00 C ATOM 873 CG2 VAL A 55 16.885 12.514 7.851 1.00 0.00 C ATOM 0 H VAL A 55 14.501 13.002 6.610 1.00 0.00 H new ATOM 0 HA VAL A 55 16.496 12.885 4.466 1.00 0.00 H new ATOM 0 HB VAL A 55 17.973 11.652 6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.078 13.763 6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 55 18.613 13.735 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.647 14.668 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.743 12.531 8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 55 16.257 13.385 8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.308 11.606 8.024 1.00 0.00 H new ATOM 883 N GLU A 56 16.062 10.434 4.205 1.00 0.00 N ATOM 884 CA GLU A 56 15.655 9.056 3.952 1.00 0.00 C ATOM 885 C GLU A 56 16.775 8.084 4.308 1.00 0.00 C ATOM 886 O GLU A 56 17.884 8.176 3.781 1.00 0.00 O ATOM 887 CB GLU A 56 15.259 8.880 2.484 1.00 0.00 C ATOM 888 CG GLU A 56 13.853 8.338 2.294 1.00 0.00 C ATOM 889 CD GLU A 56 13.204 8.834 1.016 1.00 0.00 C ATOM 890 OE1 GLU A 56 13.488 8.259 -0.055 1.00 0.00 O ATOM 891 OE2 GLU A 56 12.413 9.797 1.088 1.00 0.00 O ATOM 0 H GLU A 56 16.656 10.839 3.481 1.00 0.00 H new ATOM 0 HA GLU A 56 14.793 8.837 4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.340 9.841 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.967 8.205 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.886 7.249 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.238 8.628 3.146 1.00 0.00 H new ATOM 898 N LEU A 57 16.478 7.152 5.207 1.00 0.00 N ATOM 899 CA LEU A 57 17.459 6.161 5.636 1.00 0.00 C ATOM 900 C LEU A 57 17.079 4.769 5.142 1.00 0.00 C ATOM 901 O LEU A 57 15.907 4.487 4.888 1.00 0.00 O ATOM 902 CB LEU A 57 17.578 6.159 7.161 1.00 0.00 C ATOM 903 CG LEU A 57 17.486 7.524 7.844 1.00 0.00 C ATOM 904 CD1 LEU A 57 16.039 7.868 8.157 1.00 0.00 C ATOM 905 CD2 LEU A 57 18.328 7.544 9.111 1.00 0.00 C ATOM 0 H LEU A 57 15.565 7.062 5.653 1.00 0.00 H new ATOM 0 HA LEU A 57 18.423 6.429 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 57 16.794 5.519 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 57 18.531 5.704 7.430 1.00 0.00 H new ATOM 0 HG LEU A 57 17.877 8.278 7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 57 15.994 8.843 8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 57 15.463 7.896 7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.621 7.112 8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 57 18.251 8.523 9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.968 6.779 9.799 1.00 0.00 H new ATOM 0 HD23 LEU A 57 19.369 7.344 8.859 1.00 0.00 H new ATOM 917 N THR A 58 18.076 3.900 5.010 1.00 0.00 N ATOM 918 CA THR A 58 17.847 2.537 4.548 1.00 0.00 C ATOM 919 C THR A 58 18.028 1.535 5.682 1.00 0.00 C ATOM 920 O THR A 58 18.675 1.813 6.692 1.00 0.00 O ATOM 921 CB THR A 58 18.798 2.168 3.394 1.00 0.00 C ATOM 922 OG1 THR A 58 19.948 3.021 3.415 1.00 0.00 O ATOM 923 CG2 THR A 58 18.094 2.290 2.052 1.00 0.00 C ATOM 0 H THR A 58 19.051 4.116 5.217 1.00 0.00 H new ATOM 0 HA THR A 58 16.819 2.493 4.189 1.00 0.00 H new ATOM 0 HB THR A 58 19.112 1.133 3.528 1.00 0.00 H new ATOM 0 HG1 THR A 58 20.383 2.962 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.786 2.024 1.253 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.237 1.617 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.754 3.316 1.911 1.00 0.00 H new ATOM 931 N PRO A 59 17.445 0.339 5.514 1.00 0.00 N ATOM 932 CA PRO A 59 17.529 -0.731 6.513 1.00 0.00 C ATOM 933 C PRO A 59 18.932 -1.320 6.615 1.00 0.00 C ATOM 934 O PRO A 59 19.453 -1.520 7.713 1.00 0.00 O ATOM 935 CB PRO A 59 16.545 -1.781 5.993 1.00 0.00 C ATOM 936 CG PRO A 59 16.479 -1.543 4.523 1.00 0.00 C ATOM 937 CD PRO A 59 16.659 -0.062 4.335 1.00 0.00 C ATOM 0 HA PRO A 59 17.298 -0.371 7.516 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.889 -2.791 6.215 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.565 -1.669 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 59 17.258 -2.100 4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 59 15.524 -1.875 4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.183 0.164 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.701 0.457 4.295 1.00 0.00 H new ATOM 945 N TYR A 60 19.538 -1.594 5.466 1.00 0.00 N ATOM 946 CA TYR A 60 20.881 -2.162 5.426 1.00 0.00 C ATOM 947 C TYR A 60 21.915 -1.150 5.911 1.00 0.00 C ATOM 948 O TYR A 60 22.818 -1.487 6.676 1.00 0.00 O ATOM 949 CB TYR A 60 21.223 -2.617 4.007 1.00 0.00 C ATOM 950 CG TYR A 60 22.367 -3.604 3.946 1.00 0.00 C ATOM 951 CD1 TYR A 60 22.341 -4.773 4.697 1.00 0.00 C ATOM 952 CD2 TYR A 60 23.473 -3.367 3.140 1.00 0.00 C ATOM 953 CE1 TYR A 60 23.385 -5.678 4.646 1.00 0.00 C ATOM 954 CE2 TYR A 60 24.520 -4.267 3.082 1.00 0.00 C ATOM 955 CZ TYR A 60 24.471 -5.420 3.837 1.00 0.00 C ATOM 956 OH TYR A 60 25.513 -6.318 3.782 1.00 0.00 O ATOM 0 H TYR A 60 19.121 -1.432 4.549 1.00 0.00 H new ATOM 0 HA TYR A 60 20.903 -3.025 6.092 1.00 0.00 H new ATOM 0 HB2 TYR A 60 20.339 -3.070 3.557 1.00 0.00 H new ATOM 0 HB3 TYR A 60 21.475 -1.744 3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.491 -4.978 5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 60 23.515 -2.464 2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 60 23.350 -6.582 5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 60 25.372 -4.069 2.449 1.00 0.00 H new ATOM 0 HH TYR A 60 26.198 -5.987 3.164 1.00 0.00 H new ATOM 966 N ASP A 61 21.774 0.091 5.459 1.00 0.00 N ATOM 967 CA ASP A 61 22.694 1.154 5.847 1.00 0.00 C ATOM 968 C ASP A 61 21.998 2.176 6.741 1.00 0.00 C ATOM 969 O ASP A 61 21.038 2.828 6.326 1.00 0.00 O ATOM 970 CB ASP A 61 23.260 1.846 4.606 1.00 0.00 C ATOM 971 CG ASP A 61 23.895 0.868 3.637 1.00 0.00 C ATOM 972 OD1 ASP A 61 24.885 0.211 4.021 1.00 0.00 O ATOM 973 OD2 ASP A 61 23.402 0.760 2.495 1.00 0.00 O ATOM 0 H ASP A 61 21.032 0.386 4.824 1.00 0.00 H new ATOM 0 HA ASP A 61 23.513 0.705 6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 61 22.461 2.388 4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 61 24.002 2.584 4.912 1.00 0.00 H new ATOM 978 N LEU A 62 22.486 2.310 7.969 1.00 0.00 N ATOM 979 CA LEU A 62 21.910 3.252 8.923 1.00 0.00 C ATOM 980 C LEU A 62 22.876 4.398 9.207 1.00 0.00 C ATOM 981 O LEU A 62 22.489 5.425 9.764 1.00 0.00 O ATOM 982 CB LEU A 62 21.555 2.535 10.226 1.00 0.00 C ATOM 983 CG LEU A 62 22.727 1.935 11.003 1.00 0.00 C ATOM 984 CD1 LEU A 62 22.483 2.038 12.501 1.00 0.00 C ATOM 985 CD2 LEU A 62 22.950 0.485 10.596 1.00 0.00 C ATOM 0 H LEU A 62 23.279 1.778 8.328 1.00 0.00 H new ATOM 0 HA LEU A 62 21.002 3.666 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.037 3.240 10.876 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.850 1.736 9.997 1.00 0.00 H new ATOM 0 HG LEU A 62 23.626 2.502 10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.328 1.606 13.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.373 3.086 12.781 1.00 0.00 H new ATOM 0 HD13 LEU A 62 21.573 1.496 12.760 1.00 0.00 H new ATOM 0 HD21 LEU A 62 23.788 0.074 11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.051 -0.095 10.808 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.170 0.436 9.530 1.00 0.00 H new ATOM 997 N SER A 63 24.133 4.216 8.817 1.00 0.00 N ATOM 998 CA SER A 63 25.155 5.234 9.031 1.00 0.00 C ATOM 999 C SER A 63 25.328 6.101 7.787 1.00 0.00 C ATOM 1000 O SER A 63 26.391 6.679 7.563 1.00 0.00 O ATOM 1001 CB SER A 63 26.488 4.580 9.400 1.00 0.00 C ATOM 1002 OG SER A 63 26.644 3.335 8.742 1.00 0.00 O ATOM 0 H SER A 63 24.469 3.373 8.351 1.00 0.00 H new ATOM 0 HA SER A 63 24.831 5.871 9.854 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.309 5.243 9.129 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.539 4.434 10.479 1.00 0.00 H new ATOM 0 HG SER A 63 27.504 2.938 8.993 1.00 0.00 H new ATOM 1008 N ARG A 64 24.274 6.185 6.982 1.00 0.00 N ATOM 1009 CA ARG A 64 24.308 6.979 5.760 1.00 0.00 C ATOM 1010 C ARG A 64 22.920 7.070 5.132 1.00 0.00 C ATOM 1011 O ARG A 64 22.323 6.056 4.772 1.00 0.00 O ATOM 1012 CB ARG A 64 25.293 6.372 4.759 1.00 0.00 C ATOM 1013 CG ARG A 64 25.070 4.890 4.507 1.00 0.00 C ATOM 1014 CD ARG A 64 26.216 4.053 5.053 1.00 0.00 C ATOM 1015 NE ARG A 64 26.471 2.872 4.232 1.00 0.00 N ATOM 1016 CZ ARG A 64 27.562 2.123 4.341 1.00 0.00 C ATOM 1017 NH1 ARG A 64 28.495 2.430 5.231 1.00 0.00 N ATOM 1018 NH2 ARG A 64 27.722 1.064 3.558 1.00 0.00 N ATOM 0 H ARG A 64 23.386 5.713 7.154 1.00 0.00 H new ATOM 0 HA ARG A 64 24.638 7.985 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 64 25.214 6.909 3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 64 26.309 6.521 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.136 4.577 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.967 4.713 3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 64 27.119 4.662 5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.985 3.743 6.072 1.00 0.00 H new ATOM 0 HE ARG A 64 25.773 2.608 3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 64 28.376 3.244 5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.332 1.853 5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.007 0.825 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 64 28.560 0.489 3.642 1.00 0.00 H new ATOM 1032 N ALA A 65 22.414 8.292 5.004 1.00 0.00 N ATOM 1033 CA ALA A 65 21.098 8.516 4.418 1.00 0.00 C ATOM 1034 C ALA A 65 21.151 9.600 3.347 1.00 0.00 C ATOM 1035 O ALA A 65 22.192 10.219 3.128 1.00 0.00 O ATOM 1036 CB ALA A 65 20.095 8.889 5.500 1.00 0.00 C ATOM 0 H ALA A 65 22.895 9.142 5.298 1.00 0.00 H new ATOM 0 HA ALA A 65 20.776 7.589 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.117 9.053 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.027 8.080 6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.422 9.801 6.000 1.00 0.00 H new ATOM 1042 N ARG A 66 20.022 9.824 2.682 1.00 0.00 N ATOM 1043 CA ARG A 66 19.942 10.832 1.632 1.00 0.00 C ATOM 1044 C ARG A 66 19.276 12.104 2.149 1.00 0.00 C ATOM 1045 O ARG A 66 18.225 12.050 2.789 1.00 0.00 O ATOM 1046 CB ARG A 66 19.164 10.288 0.432 1.00 0.00 C ATOM 1047 CG ARG A 66 17.688 10.063 0.714 1.00 0.00 C ATOM 1048 CD ARG A 66 17.111 8.970 -0.172 1.00 0.00 C ATOM 1049 NE ARG A 66 17.695 7.664 0.121 1.00 0.00 N ATOM 1050 CZ ARG A 66 17.257 6.527 -0.409 1.00 0.00 C ATOM 1051 NH1 ARG A 66 16.235 6.536 -1.253 1.00 0.00 N ATOM 1052 NH2 ARG A 66 17.841 5.378 -0.093 1.00 0.00 N ATOM 0 H ARG A 66 19.151 9.321 2.852 1.00 0.00 H new ATOM 0 HA ARG A 66 20.957 11.076 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.264 10.984 -0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.612 9.346 0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.554 9.792 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.140 10.991 0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.031 8.924 -0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.288 9.220 -1.218 1.00 0.00 H new ATOM 0 HE ARG A 66 18.482 7.622 0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.783 7.417 -1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.901 5.662 -1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.627 5.367 0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.504 4.506 -0.500 1.00 0.00 H new ATOM 1066 N ILE A 67 19.894 13.246 1.867 1.00 0.00 N ATOM 1067 CA ILE A 67 19.361 14.530 2.304 1.00 0.00 C ATOM 1068 C ILE A 67 18.167 14.948 1.451 1.00 0.00 C ATOM 1069 O ILE A 67 18.229 14.920 0.222 1.00 0.00 O ATOM 1070 CB ILE A 67 20.432 15.635 2.243 1.00 0.00 C ATOM 1071 CG1 ILE A 67 21.627 15.265 3.125 1.00 0.00 C ATOM 1072 CG2 ILE A 67 19.842 16.969 2.673 1.00 0.00 C ATOM 1073 CD1 ILE A 67 21.296 15.216 4.600 1.00 0.00 C ATOM 0 H ILE A 67 20.764 13.308 1.338 1.00 0.00 H new ATOM 0 HA ILE A 67 19.040 14.403 3.338 1.00 0.00 H new ATOM 0 HB ILE A 67 20.779 15.729 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 67 22.011 14.293 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 67 22.425 15.989 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 67 20.611 17.740 2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 67 19.020 17.234 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 67 19.471 16.890 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 67 22.189 14.948 5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 67 20.941 16.194 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 67 20.519 14.471 4.774 1.00 0.00 H new ATOM 1085 N VAL A 68 17.082 15.338 2.112 1.00 0.00 N ATOM 1086 CA VAL A 68 15.875 15.765 1.415 1.00 0.00 C ATOM 1087 C VAL A 68 15.528 17.211 1.753 1.00 0.00 C ATOM 1088 O VAL A 68 16.009 17.761 2.744 1.00 0.00 O ATOM 1089 CB VAL A 68 14.675 14.865 1.768 1.00 0.00 C ATOM 1090 CG1 VAL A 68 13.567 15.025 0.738 1.00 0.00 C ATOM 1091 CG2 VAL A 68 15.112 13.412 1.872 1.00 0.00 C ATOM 0 H VAL A 68 17.014 15.367 3.129 1.00 0.00 H new ATOM 0 HA VAL A 68 16.080 15.683 0.348 1.00 0.00 H new ATOM 0 HB VAL A 68 14.284 15.173 2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.728 14.382 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.236 16.063 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.942 14.744 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.252 12.790 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.529 13.088 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.869 13.314 2.650 1.00 0.00 H new ATOM 1101 N PHE A 69 14.688 17.821 0.923 1.00 0.00 N ATOM 1102 CA PHE A 69 14.276 19.204 1.133 1.00 0.00 C ATOM 1103 C PHE A 69 13.808 19.420 2.569 1.00 0.00 C ATOM 1104 O PHE A 69 13.556 18.464 3.302 1.00 0.00 O ATOM 1105 CB PHE A 69 13.158 19.579 0.158 1.00 0.00 C ATOM 1106 CG PHE A 69 12.125 18.503 -0.011 1.00 0.00 C ATOM 1107 CD1 PHE A 69 11.392 18.051 1.074 1.00 0.00 C ATOM 1108 CD2 PHE A 69 11.886 17.944 -1.256 1.00 0.00 C ATOM 1109 CE1 PHE A 69 10.441 17.060 0.921 1.00 0.00 C ATOM 1110 CE2 PHE A 69 10.935 16.952 -1.415 1.00 0.00 C ATOM 1111 CZ PHE A 69 10.211 16.511 -0.325 1.00 0.00 C ATOM 0 H PHE A 69 14.280 17.380 0.099 1.00 0.00 H new ATOM 0 HA PHE A 69 15.138 19.845 0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.670 20.488 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.596 19.807 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.566 18.478 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.448 18.287 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.878 16.715 1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.759 16.523 -2.390 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.466 15.738 -0.447 1.00 0.00 H new ATOM 1121 N ARG A 70 13.695 20.684 2.965 1.00 0.00 N ATOM 1122 CA ARG A 70 13.259 21.027 4.313 1.00 0.00 C ATOM 1123 C ARG A 70 11.976 20.283 4.675 1.00 0.00 C ATOM 1124 O ARG A 70 11.199 19.903 3.800 1.00 0.00 O ATOM 1125 CB ARG A 70 13.037 22.536 4.432 1.00 0.00 C ATOM 1126 CG ARG A 70 14.326 23.337 4.512 1.00 0.00 C ATOM 1127 CD ARG A 70 14.140 24.748 3.977 1.00 0.00 C ATOM 1128 NE ARG A 70 13.746 24.752 2.570 1.00 0.00 N ATOM 1129 CZ ARG A 70 14.571 24.443 1.576 1.00 0.00 C ATOM 1130 NH1 ARG A 70 15.827 24.106 1.832 1.00 0.00 N ATOM 1131 NH2 ARG A 70 14.138 24.470 0.322 1.00 0.00 N ATOM 0 H ARG A 70 13.900 21.487 2.371 1.00 0.00 H new ATOM 0 HA ARG A 70 14.042 20.726 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.459 22.878 3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.438 22.738 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.664 23.381 5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.106 22.831 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.382 25.263 4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.069 25.306 4.095 1.00 0.00 H new ATOM 0 HE ARG A 70 12.786 25.006 2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.163 24.083 2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.458 23.869 1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.172 24.728 0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.771 24.233 -0.441 1.00 0.00 H new ATOM 1145 N ALA A 71 11.763 20.079 5.971 1.00 0.00 N ATOM 1146 CA ALA A 71 10.575 19.382 6.449 1.00 0.00 C ATOM 1147 C ALA A 71 9.442 20.362 6.735 1.00 0.00 C ATOM 1148 O ALA A 71 9.587 21.569 6.540 1.00 0.00 O ATOM 1149 CB ALA A 71 10.903 18.573 7.694 1.00 0.00 C ATOM 0 H ALA A 71 12.397 20.386 6.708 1.00 0.00 H new ATOM 0 HA ALA A 71 10.243 18.702 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.007 18.058 8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.675 17.840 7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.263 19.240 8.477 1.00 0.00 H new ATOM 1155 N LYS A 72 8.314 19.836 7.199 1.00 0.00 N ATOM 1156 CA LYS A 72 7.155 20.663 7.513 1.00 0.00 C ATOM 1157 C LYS A 72 7.538 21.799 8.456 1.00 0.00 C ATOM 1158 O LYS A 72 7.282 21.734 9.659 1.00 0.00 O ATOM 1159 CB LYS A 72 6.051 19.812 8.145 1.00 0.00 C ATOM 1160 CG LYS A 72 4.833 20.614 8.570 1.00 0.00 C ATOM 1161 CD LYS A 72 3.608 19.728 8.721 1.00 0.00 C ATOM 1162 CE LYS A 72 3.042 19.323 7.369 1.00 0.00 C ATOM 1163 NZ LYS A 72 2.185 20.391 6.784 1.00 0.00 N ATOM 0 H LYS A 72 8.178 18.839 7.366 1.00 0.00 H new ATOM 0 HA LYS A 72 6.785 21.094 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.741 19.047 7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.456 19.294 9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.039 21.117 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.632 21.391 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.871 18.835 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.845 20.256 9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.861 19.099 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.459 18.409 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.818 20.076 5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.389 20.587 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.748 21.256 6.655 1.00 0.00 H new