USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 798 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 84 SER OG : rot 170:sc= -0.149 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= -0.237 USER MOD Set 2.2: A 58 THR OG1 : rot -161:sc= -0.594 USER MOD Single : A 9 MET CE :methyl -147:sc= -0.263 (180deg=-0.516) USER MOD Single : A 10 MET CE :methyl -154:sc= -0.0467 (180deg=-0.0602) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 7:sc= 0.416 USER MOD Single : A 22 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-2!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.968 K(o=-0.97,f=-7.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.702 K(o=-0.7,f=-2) USER MOD Single : A 38 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.8) USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.13) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -135:sc= 0.00887 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 0.531 (180deg=0.18) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 57 ASN : amide:sc= -0.0355 K(o=-0.036,f=-1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -3.81! K(o=-3.8!,f=-2.1) USER MOD Single : A 64 ASN : amide:sc= -0.158 K(o=-0.16,f=0.99) USER MOD Single : A 66 THR OG1 : rot 17:sc= 1.02 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.393! USER MOD Single : A 69 SER OG : rot -28:sc= -0.142 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.439 K(o=-0.44,f=-2.2) USER MOD Single : A 79 THR OG1 : rot 71:sc= 0.332 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -132:sc= -0.833 (180deg=-3.12!) USER MOD Single : A 88 THR OG1 : rot 14:sc= 1.16 USER MOD Single : A 89 LYS NZ :NH3+ -159:sc= -0.0458 (180deg=-0.274) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0307 USER MOD Single : A 97 SER OG : rot -50:sc= -0.643 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-0.21) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -150:sc=-0.00511 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.794 -2.770 10.128 1.00 0.00 N ATOM 81 CA MET A 9 13.156 -1.468 10.286 1.00 0.00 C ATOM 82 C MET A 9 11.655 -1.622 10.510 1.00 0.00 C ATOM 83 O MET A 9 11.096 -2.701 10.311 1.00 0.00 O ATOM 84 CB MET A 9 13.413 -0.597 9.055 1.00 0.00 C ATOM 85 CG MET A 9 14.733 0.156 9.108 1.00 0.00 C ATOM 86 SD MET A 9 14.674 1.722 8.217 1.00 0.00 S ATOM 87 CE MET A 9 13.973 1.198 6.655 1.00 0.00 C ATOM 0 HA MET A 9 13.588 -0.983 11.161 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.399 -1.226 8.165 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.599 0.120 8.951 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.998 0.344 10.148 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.520 -0.468 8.686 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.381 1.809 5.850 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.220 0.151 6.478 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.890 1.315 6.685 1.00 0.00 H new ATOM 97 N MET A 10 11.009 -0.538 10.924 1.00 0.00 N ATOM 98 CA MET A 10 9.572 -0.553 11.173 1.00 0.00 C ATOM 99 C MET A 10 8.801 -0.092 9.941 1.00 0.00 C ATOM 100 O MET A 10 9.222 0.812 9.218 1.00 0.00 O ATOM 101 CB MET A 10 9.230 0.340 12.367 1.00 0.00 C ATOM 102 CG MET A 10 9.738 -0.199 13.695 1.00 0.00 C ATOM 103 SD MET A 10 9.018 -1.798 14.117 1.00 0.00 S ATOM 104 CE MET A 10 10.437 -2.872 13.915 1.00 0.00 C ATOM 0 H MET A 10 11.457 0.362 11.094 1.00 0.00 H new ATOM 0 HA MET A 10 9.279 -1.578 11.400 1.00 0.00 H new ATOM 0 HB2 MET A 10 9.652 1.331 12.201 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.148 0.459 12.423 1.00 0.00 H new ATOM 0 HG2 MET A 10 10.823 -0.293 13.653 1.00 0.00 H new ATOM 0 HG3 MET A 10 9.510 0.517 14.484 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.099 -3.882 13.682 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.061 -2.501 13.102 1.00 0.00 H new ATOM 0 HE3 MET A 10 11.016 -2.887 14.838 1.00 0.00 H new ATOM 114 N PRO A 11 7.645 -0.725 9.693 1.00 0.00 N ATOM 115 CA PRO A 11 6.791 -0.395 8.548 1.00 0.00 C ATOM 116 C PRO A 11 6.126 0.969 8.695 1.00 0.00 C ATOM 117 O PRO A 11 6.140 1.582 9.762 1.00 0.00 O ATOM 118 CB PRO A 11 5.739 -1.507 8.558 1.00 0.00 C ATOM 119 CG PRO A 11 5.686 -1.965 9.974 1.00 0.00 C ATOM 120 CD PRO A 11 7.082 -1.811 10.512 1.00 0.00 C ATOM 0 HA PRO A 11 7.359 -0.335 7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.769 -1.138 8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.017 -2.321 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.978 -1.370 10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.356 -3.002 10.037 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.078 -1.555 11.571 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.656 -2.732 10.409 1.00 0.00 H new ATOM 128 N PRO A 12 5.528 1.458 7.598 1.00 0.00 N ATOM 129 CA PRO A 12 4.845 2.755 7.580 1.00 0.00 C ATOM 130 C PRO A 12 3.557 2.743 8.397 1.00 0.00 C ATOM 131 O PRO A 12 3.186 1.721 8.975 1.00 0.00 O ATOM 132 CB PRO A 12 4.535 2.972 6.097 1.00 0.00 C ATOM 133 CG PRO A 12 4.477 1.601 5.517 1.00 0.00 C ATOM 134 CD PRO A 12 5.472 0.781 6.291 1.00 0.00 C ATOM 0 HA PRO A 12 5.455 3.543 8.022 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.590 3.499 5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.306 3.573 5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.474 1.182 5.604 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.725 1.616 4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.149 -0.256 6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.447 0.767 5.804 1.00 0.00 H new ATOM 142 N VAL A 13 2.878 3.885 8.440 1.00 0.00 N ATOM 143 CA VAL A 13 1.630 4.005 9.184 1.00 0.00 C ATOM 144 C VAL A 13 0.642 4.911 8.458 1.00 0.00 C ATOM 145 O VAL A 13 0.916 5.390 7.359 1.00 0.00 O ATOM 146 CB VAL A 13 1.873 4.560 10.601 1.00 0.00 C ATOM 147 CG1 VAL A 13 2.756 3.614 11.401 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.492 5.948 10.530 1.00 0.00 C ATOM 0 H VAL A 13 3.171 4.740 7.968 1.00 0.00 H new ATOM 0 HA VAL A 13 1.210 3.002 9.261 1.00 0.00 H new ATOM 0 HB VAL A 13 0.913 4.641 11.111 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.917 4.023 12.399 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.269 2.642 11.481 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.716 3.499 10.897 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.657 6.325 11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.444 5.895 10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.819 6.620 9.997 1.00 0.00 H new ATOM 158 N GLY A 14 -0.509 5.143 9.082 1.00 0.00 N ATOM 159 CA GLY A 14 -1.521 5.991 8.481 1.00 0.00 C ATOM 160 C GLY A 14 -1.980 5.478 7.130 1.00 0.00 C ATOM 161 O GLY A 14 -2.569 6.220 6.344 1.00 0.00 O ATOM 0 H GLY A 14 -0.758 4.758 9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.378 6.059 9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.125 7.000 8.367 1.00 0.00 H new ATOM 165 N VAL A 15 -1.708 4.205 6.859 1.00 0.00 N ATOM 166 CA VAL A 15 -2.097 3.594 5.594 1.00 0.00 C ATOM 167 C VAL A 15 -3.605 3.674 5.384 1.00 0.00 C ATOM 168 O VAL A 15 -4.370 2.966 6.038 1.00 0.00 O ATOM 169 CB VAL A 15 -1.658 2.119 5.525 1.00 0.00 C ATOM 170 CG1 VAL A 15 -2.052 1.506 4.190 1.00 0.00 C ATOM 171 CG2 VAL A 15 -0.159 1.998 5.755 1.00 0.00 C ATOM 0 H VAL A 15 -1.220 3.578 7.498 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.594 4.153 4.805 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.169 1.569 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.734 0.464 4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.134 1.558 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.571 2.056 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.134 0.949 5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.373 2.562 4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.092 2.396 6.738 1.00 0.00 H new ATOM 181 N GLN A 16 -4.024 4.542 4.469 1.00 0.00 N ATOM 182 CA GLN A 16 -5.441 4.715 4.174 1.00 0.00 C ATOM 183 C GLN A 16 -5.692 4.684 2.670 1.00 0.00 C ATOM 184 O GLN A 16 -4.774 4.879 1.874 1.00 0.00 O ATOM 185 CB GLN A 16 -5.949 6.033 4.760 1.00 0.00 C ATOM 186 CG GLN A 16 -7.454 6.065 4.973 1.00 0.00 C ATOM 187 CD GLN A 16 -7.921 7.340 5.647 1.00 0.00 C ATOM 188 OE1 GLN A 16 -8.508 7.304 6.729 1.00 0.00 O ATOM 189 NE2 GLN A 16 -7.663 8.476 5.010 1.00 0.00 N ATOM 0 H GLN A 16 -3.403 5.136 3.920 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.984 3.889 4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.452 6.213 5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.667 6.849 4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.956 5.963 4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.750 5.209 5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.174 8.459 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.954 9.366 5.416 1.00 0.00 H new ATOM 198 N ALA A 17 -6.941 4.437 2.288 1.00 0.00 N ATOM 199 CA ALA A 17 -7.312 4.383 0.879 1.00 0.00 C ATOM 200 C ALA A 17 -8.424 5.378 0.566 1.00 0.00 C ATOM 201 O ALA A 17 -9.568 5.197 0.983 1.00 0.00 O ATOM 202 CB ALA A 17 -7.741 2.973 0.501 1.00 0.00 C ATOM 0 H ALA A 17 -7.713 4.271 2.934 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.438 4.657 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.015 2.947 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.917 2.282 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.598 2.679 1.106 1.00 0.00 H new ATOM 208 N SER A 18 -8.081 6.429 -0.171 1.00 0.00 N ATOM 209 CA SER A 18 -9.050 7.456 -0.537 1.00 0.00 C ATOM 210 C SER A 18 -9.780 7.080 -1.822 1.00 0.00 C ATOM 211 O SER A 18 -9.246 7.235 -2.921 1.00 0.00 O ATOM 212 CB SER A 18 -8.352 8.807 -0.709 1.00 0.00 C ATOM 213 OG SER A 18 -9.253 9.878 -0.486 1.00 0.00 O ATOM 0 H SER A 18 -7.139 6.592 -0.527 1.00 0.00 H new ATOM 0 HA SER A 18 -9.782 7.533 0.267 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.516 8.880 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.937 8.880 -1.714 1.00 0.00 H new ATOM 0 HG SER A 18 -8.783 10.730 -0.600 1.00 0.00 H new ATOM 219 N ILE A 19 -11.005 6.585 -1.676 1.00 0.00 N ATOM 220 CA ILE A 19 -11.810 6.188 -2.825 1.00 0.00 C ATOM 221 C ILE A 19 -12.122 7.384 -3.717 1.00 0.00 C ATOM 222 O ILE A 19 -12.970 8.214 -3.387 1.00 0.00 O ATOM 223 CB ILE A 19 -13.132 5.531 -2.385 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.864 4.442 -1.344 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.861 4.952 -3.589 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.814 3.441 -1.772 1.00 0.00 C ATOM 0 H ILE A 19 -11.461 6.449 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.222 5.462 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.766 6.293 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.548 4.911 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.794 3.914 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.793 4.491 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.080 5.749 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.233 4.201 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.676 2.699 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.137 2.944 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.871 3.957 -1.953 1.00 0.00 H new ATOM 238 N LEU A 20 -11.433 7.466 -4.850 1.00 0.00 N ATOM 239 CA LEU A 20 -11.637 8.561 -5.792 1.00 0.00 C ATOM 240 C LEU A 20 -12.646 8.171 -6.868 1.00 0.00 C ATOM 241 O LEU A 20 -13.498 8.972 -7.253 1.00 0.00 O ATOM 242 CB LEU A 20 -10.310 8.956 -6.442 1.00 0.00 C ATOM 243 CG LEU A 20 -9.172 9.309 -5.482 1.00 0.00 C ATOM 244 CD1 LEU A 20 -7.874 9.517 -6.247 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.522 10.549 -4.674 1.00 0.00 C ATOM 0 H LEU A 20 -10.728 6.787 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.032 9.414 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.981 8.134 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.488 9.812 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.033 8.477 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.076 9.767 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.616 8.602 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.999 10.331 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.701 10.785 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.688 11.388 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.427 10.363 -4.096 1.00 0.00 H new ATOM 257 N SER A 21 -12.545 6.936 -7.348 1.00 0.00 N ATOM 258 CA SER A 21 -13.448 6.440 -8.380 1.00 0.00 C ATOM 259 C SER A 21 -13.603 4.926 -8.285 1.00 0.00 C ATOM 260 O SER A 21 -13.031 4.286 -7.402 1.00 0.00 O ATOM 261 CB SER A 21 -12.930 6.825 -9.768 1.00 0.00 C ATOM 262 OG SER A 21 -13.077 8.215 -9.999 1.00 0.00 O ATOM 0 H SER A 21 -11.847 6.260 -7.039 1.00 0.00 H new ATOM 0 HA SER A 21 -14.425 6.898 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.880 6.547 -9.858 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.474 6.267 -10.530 1.00 0.00 H new ATOM 0 HG SER A 21 -13.378 8.653 -9.176 1.00 0.00 H new ATOM 268 N HIS A 22 -14.382 4.358 -9.200 1.00 0.00 N ATOM 269 CA HIS A 22 -14.613 2.918 -9.220 1.00 0.00 C ATOM 270 C HIS A 22 -13.305 2.160 -9.428 1.00 0.00 C ATOM 271 O HIS A 22 -13.151 1.030 -8.965 1.00 0.00 O ATOM 272 CB HIS A 22 -15.606 2.555 -10.325 1.00 0.00 C ATOM 273 CG HIS A 22 -15.165 2.982 -11.691 1.00 0.00 C ATOM 274 ND1 HIS A 22 -15.220 4.289 -12.125 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.658 2.266 -12.722 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.767 4.359 -13.364 1.00 0.00 C ATOM 277 NE2 HIS A 22 -14.419 3.144 -13.749 1.00 0.00 N ATOM 0 H HIS A 22 -14.864 4.873 -9.937 1.00 0.00 H new ATOM 0 HA HIS A 22 -15.031 2.629 -8.256 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.761 1.476 -10.323 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.569 3.015 -10.103 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.476 1.202 -12.734 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.694 5.256 -13.960 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -14.035 2.899 -14.662 1.00 0.00 H new ATOM 286 N ASP A 23 -12.367 2.790 -10.126 1.00 0.00 N ATOM 287 CA ASP A 23 -11.072 2.176 -10.394 1.00 0.00 C ATOM 288 C ASP A 23 -9.934 3.119 -10.015 1.00 0.00 C ATOM 289 O ASP A 23 -8.877 3.119 -10.646 1.00 0.00 O ATOM 290 CB ASP A 23 -10.962 1.791 -11.870 1.00 0.00 C ATOM 291 CG ASP A 23 -11.963 0.724 -12.267 1.00 0.00 C ATOM 292 OD1 ASP A 23 -12.634 0.178 -11.367 1.00 0.00 O ATOM 293 OD2 ASP A 23 -12.074 0.435 -13.477 1.00 0.00 O ATOM 0 H ASP A 23 -12.479 3.726 -10.517 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.992 1.276 -9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.117 2.677 -12.486 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.953 1.433 -12.075 1.00 0.00 H new ATOM 298 N THR A 24 -10.158 3.922 -8.980 1.00 0.00 N ATOM 299 CA THR A 24 -9.154 4.871 -8.518 1.00 0.00 C ATOM 300 C THR A 24 -9.127 4.947 -6.995 1.00 0.00 C ATOM 301 O THR A 24 -10.151 5.198 -6.359 1.00 0.00 O ATOM 302 CB THR A 24 -9.409 6.280 -9.086 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.722 6.197 -10.480 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.193 7.173 -8.886 1.00 0.00 C ATOM 0 H THR A 24 -11.027 3.934 -8.446 1.00 0.00 H new ATOM 0 HA THR A 24 -8.190 4.511 -8.878 1.00 0.00 H new ATOM 0 HB THR A 24 -10.252 6.716 -8.550 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.884 7.097 -10.833 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.397 8.163 -9.295 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.975 7.258 -7.821 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.334 6.739 -9.398 1.00 0.00 H new ATOM 312 N ILE A 25 -7.951 4.728 -6.417 1.00 0.00 N ATOM 313 CA ILE A 25 -7.792 4.774 -4.969 1.00 0.00 C ATOM 314 C ILE A 25 -6.437 5.356 -4.582 1.00 0.00 C ATOM 315 O ILE A 25 -5.396 4.895 -5.049 1.00 0.00 O ATOM 316 CB ILE A 25 -7.934 3.374 -4.343 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.291 2.765 -4.702 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.764 3.449 -2.833 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.496 1.374 -4.146 1.00 0.00 C ATOM 0 H ILE A 25 -7.095 4.517 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.584 5.418 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.151 2.732 -4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.082 3.416 -4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.389 2.732 -5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.867 2.452 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.776 3.845 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.527 4.105 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.479 1.006 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.727 0.708 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.430 1.404 -3.058 1.00 0.00 H new ATOM 331 N ARG A 26 -6.459 6.372 -3.725 1.00 0.00 N ATOM 332 CA ARG A 26 -5.231 7.017 -3.275 1.00 0.00 C ATOM 333 C ARG A 26 -4.721 6.376 -1.987 1.00 0.00 C ATOM 334 O ARG A 26 -5.404 6.389 -0.963 1.00 0.00 O ATOM 335 CB ARG A 26 -5.468 8.512 -3.054 1.00 0.00 C ATOM 336 CG ARG A 26 -4.227 9.363 -3.268 1.00 0.00 C ATOM 337 CD ARG A 26 -4.311 10.674 -2.501 1.00 0.00 C ATOM 338 NE ARG A 26 -3.121 11.498 -2.694 1.00 0.00 N ATOM 339 CZ ARG A 26 -2.872 12.180 -3.807 1.00 0.00 C ATOM 340 NH1 ARG A 26 -3.726 12.136 -4.820 1.00 0.00 N ATOM 341 NH2 ARG A 26 -1.767 12.908 -3.907 1.00 0.00 N ATOM 0 H ARG A 26 -7.313 6.766 -3.329 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.475 6.886 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.252 8.851 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.834 8.667 -2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.345 8.809 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.105 9.569 -4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.192 11.228 -2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.439 10.465 -1.439 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.444 11.553 -1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.576 11.578 -4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.533 12.660 -5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.108 12.944 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.577 13.431 -4.762 1.00 0.00 H new ATOM 355 N ILE A 27 -3.517 5.818 -2.048 1.00 0.00 N ATOM 356 CA ILE A 27 -2.915 5.173 -0.887 1.00 0.00 C ATOM 357 C ILE A 27 -1.823 6.045 -0.279 1.00 0.00 C ATOM 358 O ILE A 27 -0.681 6.044 -0.741 1.00 0.00 O ATOM 359 CB ILE A 27 -2.318 3.801 -1.252 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.407 2.874 -1.794 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.640 3.179 -0.040 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.497 2.570 -0.790 1.00 0.00 C ATOM 0 H ILE A 27 -2.939 5.799 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.711 5.031 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.568 3.943 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.855 3.330 -2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.949 1.938 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.223 2.210 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.840 3.834 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.371 3.047 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.235 1.908 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.062 2.085 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.981 3.498 -0.486 1.00 0.00 H new ATOM 374 N THR A 28 -2.179 6.789 0.764 1.00 0.00 N ATOM 375 CA THR A 28 -1.230 7.666 1.438 1.00 0.00 C ATOM 376 C THR A 28 -0.830 7.103 2.797 1.00 0.00 C ATOM 377 O THR A 28 -1.674 6.619 3.551 1.00 0.00 O ATOM 378 CB THR A 28 -1.810 9.080 1.631 1.00 0.00 C ATOM 379 OG1 THR A 28 -3.133 8.996 2.173 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.843 9.835 0.311 1.00 0.00 C ATOM 0 H THR A 28 -3.119 6.801 1.160 1.00 0.00 H new ATOM 0 HA THR A 28 -0.349 7.727 0.800 1.00 0.00 H new ATOM 0 HB THR A 28 -1.168 9.622 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.495 9.899 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.256 10.831 0.472 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.831 9.922 -0.084 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.466 9.294 -0.402 1.00 0.00 H new ATOM 388 N TRP A 29 0.461 7.170 3.103 1.00 0.00 N ATOM 389 CA TRP A 29 0.971 6.667 4.373 1.00 0.00 C ATOM 390 C TRP A 29 2.012 7.617 4.956 1.00 0.00 C ATOM 391 O TRP A 29 2.334 8.642 4.357 1.00 0.00 O ATOM 392 CB TRP A 29 1.581 5.276 4.187 1.00 0.00 C ATOM 393 CG TRP A 29 2.699 5.247 3.190 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.027 5.443 3.441 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.587 5.009 1.782 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.747 5.341 2.275 1.00 0.00 N ATOM 397 CE2 TRP A 29 3.886 5.075 1.243 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.515 4.745 0.925 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.140 4.887 -0.113 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.768 4.559 -0.420 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.072 4.630 -0.929 1.00 0.00 C ATOM 0 H TRP A 29 1.173 7.567 2.490 1.00 0.00 H new ATOM 0 HA TRP A 29 0.136 6.600 5.070 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.951 4.918 5.148 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.801 4.585 3.868 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.450 5.648 4.414 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.758 5.446 2.191 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.507 4.687 1.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.144 4.942 -0.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.947 4.355 -1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.237 4.479 -1.986 1.00 0.00 H new ATOM 412 N ALA A 30 2.533 7.270 6.128 1.00 0.00 N ATOM 413 CA ALA A 30 3.539 8.091 6.790 1.00 0.00 C ATOM 414 C ALA A 30 4.648 7.230 7.383 1.00 0.00 C ATOM 415 O ALA A 30 4.401 6.117 7.849 1.00 0.00 O ATOM 416 CB ALA A 30 2.894 8.944 7.873 1.00 0.00 C ATOM 0 H ALA A 30 2.275 6.426 6.639 1.00 0.00 H new ATOM 0 HA ALA A 30 3.986 8.747 6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.657 9.552 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.143 9.594 7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.420 8.297 8.611 1.00 0.00 H new ATOM 422 N ASP A 31 5.871 7.750 7.362 1.00 0.00 N ATOM 423 CA ASP A 31 7.018 7.027 7.898 1.00 0.00 C ATOM 424 C ASP A 31 7.599 7.751 9.109 1.00 0.00 C ATOM 425 O ASP A 31 8.605 8.451 9.003 1.00 0.00 O ATOM 426 CB ASP A 31 8.093 6.865 6.822 1.00 0.00 C ATOM 427 CG ASP A 31 9.028 5.706 7.108 1.00 0.00 C ATOM 428 OD1 ASP A 31 8.617 4.777 7.835 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.171 5.728 6.605 1.00 0.00 O ATOM 0 H ASP A 31 6.093 8.669 6.980 1.00 0.00 H new ATOM 0 HA ASP A 31 6.679 6.041 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.615 6.712 5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.672 7.786 6.749 1.00 0.00 H new ATOM 434 N ASN A 32 6.956 7.579 10.259 1.00 0.00 N ATOM 435 CA ASN A 32 7.407 8.218 11.490 1.00 0.00 C ATOM 436 C ASN A 32 8.911 8.039 11.676 1.00 0.00 C ATOM 437 O ASN A 32 9.571 8.866 12.305 1.00 0.00 O ATOM 438 CB ASN A 32 6.661 7.637 12.693 1.00 0.00 C ATOM 439 CG ASN A 32 5.183 7.439 12.417 1.00 0.00 C ATOM 440 OD1 ASN A 32 4.675 7.850 11.374 1.00 0.00 O ATOM 441 ND2 ASN A 32 4.486 6.808 13.354 1.00 0.00 N ATOM 0 H ASN A 32 6.121 7.003 10.364 1.00 0.00 H new ATOM 0 HA ASN A 32 7.192 9.284 11.417 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.108 6.681 12.967 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.782 8.302 13.548 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.487 6.647 13.225 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.949 6.485 14.203 1.00 0.00 H new ATOM 448 N SER A 33 9.445 6.955 11.123 1.00 0.00 N ATOM 449 CA SER A 33 10.871 6.666 11.230 1.00 0.00 C ATOM 450 C SER A 33 11.703 7.855 10.758 1.00 0.00 C ATOM 451 O SER A 33 12.633 8.287 11.441 1.00 0.00 O ATOM 452 CB SER A 33 11.224 5.424 10.410 1.00 0.00 C ATOM 453 OG SER A 33 12.409 4.815 10.891 1.00 0.00 O ATOM 0 H SER A 33 8.912 6.262 10.597 1.00 0.00 H new ATOM 0 HA SER A 33 11.101 6.477 12.279 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.401 4.710 10.453 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.352 5.700 9.363 1.00 0.00 H new ATOM 0 HG SER A 33 12.612 4.023 10.351 1.00 0.00 H new ATOM 459 N LEU A 34 11.362 8.379 9.586 1.00 0.00 N ATOM 460 CA LEU A 34 12.076 9.518 9.021 1.00 0.00 C ATOM 461 C LEU A 34 12.255 10.620 10.061 1.00 0.00 C ATOM 462 O LEU A 34 11.417 10.818 10.941 1.00 0.00 O ATOM 463 CB LEU A 34 11.325 10.065 7.806 1.00 0.00 C ATOM 464 CG LEU A 34 11.307 9.168 6.568 1.00 0.00 C ATOM 465 CD1 LEU A 34 10.585 9.857 5.420 1.00 0.00 C ATOM 466 CD2 LEU A 34 12.724 8.793 6.161 1.00 0.00 C ATOM 0 H LEU A 34 10.596 8.033 9.009 1.00 0.00 H new ATOM 0 HA LEU A 34 13.062 9.177 8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.295 10.264 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.769 11.022 7.530 1.00 0.00 H new ATOM 0 HG LEU A 34 10.767 8.254 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.582 9.204 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.558 10.074 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.097 10.788 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.692 8.154 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.289 9.697 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.208 8.258 6.978 1.00 0.00 H new ATOM 478 N PRO A 35 13.372 11.355 9.958 1.00 0.00 N ATOM 479 CA PRO A 35 13.685 12.451 10.880 1.00 0.00 C ATOM 480 C PRO A 35 12.762 13.650 10.692 1.00 0.00 C ATOM 481 O PRO A 35 11.777 13.578 9.956 1.00 0.00 O ATOM 482 CB PRO A 35 15.124 12.822 10.513 1.00 0.00 C ATOM 483 CG PRO A 35 15.275 12.397 9.094 1.00 0.00 C ATOM 484 CD PRO A 35 14.414 11.174 8.934 1.00 0.00 C ATOM 0 HA PRO A 35 13.558 12.156 11.922 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.298 13.892 10.626 1.00 0.00 H new ATOM 0 HB3 PRO A 35 15.841 12.313 11.157 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.959 13.188 8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.316 12.174 8.862 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.987 11.111 7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.982 10.258 9.096 1.00 0.00 H new ATOM 492 N LYS A 36 13.085 14.751 11.360 1.00 0.00 N ATOM 493 CA LYS A 36 12.286 15.967 11.265 1.00 0.00 C ATOM 494 C LYS A 36 11.750 16.157 9.850 1.00 0.00 C ATOM 495 O LYS A 36 10.540 16.257 9.642 1.00 0.00 O ATOM 496 CB LYS A 36 13.120 17.183 11.674 1.00 0.00 C ATOM 497 CG LYS A 36 12.293 18.434 11.918 1.00 0.00 C ATOM 498 CD LYS A 36 13.170 19.622 12.272 1.00 0.00 C ATOM 499 CE LYS A 36 13.655 20.349 11.027 1.00 0.00 C ATOM 500 NZ LYS A 36 14.923 21.089 11.274 1.00 0.00 N ATOM 0 H LYS A 36 13.896 14.827 11.974 1.00 0.00 H new ATOM 0 HA LYS A 36 11.439 15.870 11.945 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.677 16.943 12.580 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.853 17.389 10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.709 18.665 11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.584 18.251 12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.611 20.313 12.903 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.027 19.282 12.853 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.806 19.630 10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.887 21.046 10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.220 21.571 10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.773 21.793 12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.663 20.421 11.569 1.00 0.00 H new ATOM 514 N HIS A 37 12.657 16.204 8.880 1.00 0.00 N ATOM 515 CA HIS A 37 12.275 16.380 7.483 1.00 0.00 C ATOM 516 C HIS A 37 11.707 15.085 6.908 1.00 0.00 C ATOM 517 O HIS A 37 12.178 13.994 7.230 1.00 0.00 O ATOM 518 CB HIS A 37 13.478 16.834 6.656 1.00 0.00 C ATOM 519 CG HIS A 37 14.522 15.775 6.485 1.00 0.00 C ATOM 520 ND1 HIS A 37 14.500 14.855 5.458 1.00 0.00 N ATOM 521 CD2 HIS A 37 15.625 15.493 7.218 1.00 0.00 C ATOM 522 CE1 HIS A 37 15.544 14.052 5.567 1.00 0.00 C ATOM 523 NE2 HIS A 37 16.242 14.418 6.626 1.00 0.00 N ATOM 0 H HIS A 37 13.662 16.123 9.035 1.00 0.00 H new ATOM 0 HA HIS A 37 11.502 17.147 7.437 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.133 17.154 5.673 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.929 17.704 7.134 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.957 16.016 8.103 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.785 13.235 4.903 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.101 13.974 6.952 1.00 0.00 H new ATOM 532 N GLN A 38 10.695 15.215 6.058 1.00 0.00 N ATOM 533 CA GLN A 38 10.063 14.055 5.440 1.00 0.00 C ATOM 534 C GLN A 38 10.519 13.892 3.994 1.00 0.00 C ATOM 535 O GLN A 38 9.731 14.049 3.061 1.00 0.00 O ATOM 536 CB GLN A 38 8.540 14.187 5.495 1.00 0.00 C ATOM 537 CG GLN A 38 7.813 12.852 5.503 1.00 0.00 C ATOM 538 CD GLN A 38 7.588 12.319 6.904 1.00 0.00 C ATOM 539 OE1 GLN A 38 6.542 12.553 7.509 1.00 0.00 O ATOM 540 NE2 GLN A 38 8.571 11.597 7.428 1.00 0.00 N ATOM 0 H GLN A 38 10.295 16.111 5.781 1.00 0.00 H new ATOM 0 HA GLN A 38 10.364 13.169 5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.264 14.747 6.389 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.203 14.770 4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.851 12.963 5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.389 12.125 4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.421 11.427 6.891 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.476 11.212 8.368 1.00 0.00 H new ATOM 549 N LYS A 39 11.798 13.577 3.814 1.00 0.00 N ATOM 550 CA LYS A 39 12.360 13.392 2.482 1.00 0.00 C ATOM 551 C LYS A 39 13.053 12.038 2.367 1.00 0.00 C ATOM 552 O LYS A 39 13.910 11.698 3.184 1.00 0.00 O ATOM 553 CB LYS A 39 13.353 14.513 2.164 1.00 0.00 C ATOM 554 CG LYS A 39 13.490 14.801 0.680 1.00 0.00 C ATOM 555 CD LYS A 39 14.432 13.818 0.006 1.00 0.00 C ATOM 556 CE LYS A 39 15.070 14.419 -1.238 1.00 0.00 C ATOM 557 NZ LYS A 39 15.498 13.370 -2.204 1.00 0.00 N ATOM 0 H LYS A 39 12.464 13.445 4.575 1.00 0.00 H new ATOM 0 HA LYS A 39 11.542 13.424 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.037 15.423 2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.331 14.246 2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.510 14.750 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.860 15.816 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.211 13.520 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.884 12.915 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.360 15.090 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.932 15.020 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.312 13.714 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.768 12.510 -1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.713 13.152 -2.851 1.00 0.00 H new ATOM 571 N ILE A 40 12.678 11.271 1.349 1.00 0.00 N ATOM 572 CA ILE A 40 13.266 9.956 1.127 1.00 0.00 C ATOM 573 C ILE A 40 14.525 10.053 0.273 1.00 0.00 C ATOM 574 O ILE A 40 14.479 9.873 -0.944 1.00 0.00 O ATOM 575 CB ILE A 40 12.269 9.001 0.444 1.00 0.00 C ATOM 576 CG1 ILE A 40 10.935 9.001 1.193 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.844 7.594 0.375 1.00 0.00 C ATOM 578 CD1 ILE A 40 9.805 8.361 0.417 1.00 0.00 C ATOM 0 H ILE A 40 11.970 11.538 0.665 1.00 0.00 H new ATOM 0 HA ILE A 40 13.525 9.557 2.108 1.00 0.00 H new ATOM 0 HB ILE A 40 12.093 9.350 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.059 8.474 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.663 10.029 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.127 6.931 -0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.771 7.608 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.046 7.234 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.891 8.397 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.653 8.901 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.056 7.323 0.199 1.00 0.00 H new ATOM 590 N THR A 41 15.652 10.338 0.919 1.00 0.00 N ATOM 591 CA THR A 41 16.924 10.459 0.220 1.00 0.00 C ATOM 592 C THR A 41 17.885 9.350 0.631 1.00 0.00 C ATOM 593 O THR A 41 18.820 9.578 1.399 1.00 0.00 O ATOM 594 CB THR A 41 17.587 11.823 0.491 1.00 0.00 C ATOM 595 OG1 THR A 41 18.818 11.923 -0.234 1.00 0.00 O ATOM 596 CG2 THR A 41 17.851 12.011 1.977 1.00 0.00 C ATOM 0 H THR A 41 15.709 10.489 1.926 1.00 0.00 H new ATOM 0 HA THR A 41 16.708 10.373 -0.845 1.00 0.00 H new ATOM 0 HB THR A 41 16.905 12.605 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 41 19.232 12.794 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.319 12.981 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.909 11.965 2.523 1.00 0.00 H new ATOM 0 HG23 THR A 41 18.515 11.222 2.331 1.00 0.00 H new ATOM 604 N ASP A 42 17.650 8.149 0.115 1.00 0.00 N ATOM 605 CA ASP A 42 18.497 7.003 0.427 1.00 0.00 C ATOM 606 C ASP A 42 18.285 5.879 -0.582 1.00 0.00 C ATOM 607 O ASP A 42 17.503 6.016 -1.523 1.00 0.00 O ATOM 608 CB ASP A 42 18.206 6.497 1.841 1.00 0.00 C ATOM 609 CG ASP A 42 18.813 7.384 2.910 1.00 0.00 C ATOM 610 OD1 ASP A 42 20.058 7.439 2.999 1.00 0.00 O ATOM 611 OD2 ASP A 42 18.044 8.024 3.657 1.00 0.00 O ATOM 0 H ASP A 42 16.880 7.943 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 42 19.537 7.325 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.128 6.441 1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.596 5.485 1.949 1.00 0.00 H new ATOM 616 N SER A 43 18.987 4.769 -0.380 1.00 0.00 N ATOM 617 CA SER A 43 18.879 3.623 -1.275 1.00 0.00 C ATOM 618 C SER A 43 17.748 2.697 -0.839 1.00 0.00 C ATOM 619 O SER A 43 17.943 1.492 -0.680 1.00 0.00 O ATOM 620 CB SER A 43 20.200 2.851 -1.311 1.00 0.00 C ATOM 621 OG SER A 43 20.387 2.220 -2.566 1.00 0.00 O ATOM 0 H SER A 43 19.637 4.639 0.395 1.00 0.00 H new ATOM 0 HA SER A 43 18.656 3.995 -2.275 1.00 0.00 H new ATOM 0 HB2 SER A 43 21.028 3.532 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.209 2.102 -0.519 1.00 0.00 H new ATOM 0 HG SER A 43 21.238 1.735 -2.564 1.00 0.00 H new ATOM 627 N ARG A 44 16.564 3.269 -0.647 1.00 0.00 N ATOM 628 CA ARG A 44 15.401 2.497 -0.228 1.00 0.00 C ATOM 629 C ARG A 44 14.276 2.607 -1.254 1.00 0.00 C ATOM 630 O ARG A 44 14.232 3.551 -2.042 1.00 0.00 O ATOM 631 CB ARG A 44 14.908 2.978 1.138 1.00 0.00 C ATOM 632 CG ARG A 44 14.598 4.465 1.185 1.00 0.00 C ATOM 633 CD ARG A 44 14.568 4.984 2.614 1.00 0.00 C ATOM 634 NE ARG A 44 14.918 6.400 2.690 1.00 0.00 N ATOM 635 CZ ARG A 44 15.116 7.048 3.833 1.00 0.00 C ATOM 636 NH1 ARG A 44 15.000 6.409 4.989 1.00 0.00 N ATOM 637 NH2 ARG A 44 15.431 8.336 3.820 1.00 0.00 N ATOM 0 H ARG A 44 16.385 4.265 -0.775 1.00 0.00 H new ATOM 0 HA ARG A 44 15.699 1.451 -0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.012 2.420 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.664 2.749 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.348 5.012 0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.636 4.652 0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.573 4.834 3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.262 4.406 3.224 1.00 0.00 H new ATOM 0 HE ARG A 44 15.016 6.920 1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.758 5.418 5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.152 6.908 5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.521 8.830 2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.583 8.833 4.698 1.00 0.00 H new ATOM 651 N TYR A 45 13.371 1.635 -1.237 1.00 0.00 N ATOM 652 CA TYR A 45 12.248 1.621 -2.168 1.00 0.00 C ATOM 653 C TYR A 45 10.998 1.053 -1.504 1.00 0.00 C ATOM 654 O TYR A 45 11.047 0.010 -0.851 1.00 0.00 O ATOM 655 CB TYR A 45 12.599 0.799 -3.409 1.00 0.00 C ATOM 656 CG TYR A 45 12.800 -0.673 -3.124 1.00 0.00 C ATOM 657 CD1 TYR A 45 14.052 -1.169 -2.782 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.739 -1.567 -3.199 1.00 0.00 C ATOM 659 CE1 TYR A 45 14.241 -2.512 -2.521 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.919 -2.911 -2.938 1.00 0.00 C ATOM 661 CZ TYR A 45 13.171 -3.379 -2.600 1.00 0.00 C ATOM 662 OH TYR A 45 13.355 -4.718 -2.342 1.00 0.00 O ATOM 0 H TYR A 45 13.393 0.847 -0.590 1.00 0.00 H new ATOM 0 HA TYR A 45 12.043 2.649 -2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.804 0.912 -4.146 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.508 1.201 -3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.892 -0.493 -2.719 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.757 -1.205 -3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.221 -2.881 -2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.083 -3.592 -2.998 1.00 0.00 H new ATOM 0 HH TYR A 45 12.502 -5.190 -2.440 1.00 0.00 H new ATOM 672 N TYR A 46 9.878 1.746 -1.677 1.00 0.00 N ATOM 673 CA TYR A 46 8.613 1.313 -1.094 1.00 0.00 C ATOM 674 C TYR A 46 7.878 0.362 -2.034 1.00 0.00 C ATOM 675 O TYR A 46 7.749 0.627 -3.230 1.00 0.00 O ATOM 676 CB TYR A 46 7.731 2.523 -0.782 1.00 0.00 C ATOM 677 CG TYR A 46 8.200 3.321 0.414 1.00 0.00 C ATOM 678 CD1 TYR A 46 9.297 4.170 0.321 1.00 0.00 C ATOM 679 CD2 TYR A 46 7.546 3.228 1.636 1.00 0.00 C ATOM 680 CE1 TYR A 46 9.729 4.900 1.410 1.00 0.00 C ATOM 681 CE2 TYR A 46 7.971 3.956 2.731 1.00 0.00 C ATOM 682 CZ TYR A 46 9.063 4.790 2.613 1.00 0.00 C ATOM 683 OH TYR A 46 9.489 5.518 3.700 1.00 0.00 O ATOM 0 H TYR A 46 9.820 2.610 -2.216 1.00 0.00 H new ATOM 0 HA TYR A 46 8.831 0.782 -0.167 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.701 3.175 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.711 2.182 -0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.820 4.260 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.691 2.576 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.584 5.554 1.321 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.451 3.872 3.674 1.00 0.00 H new ATOM 0 HH TYR A 46 9.508 4.942 4.493 1.00 0.00 H new ATOM 693 N THR A 47 7.395 -0.748 -1.483 1.00 0.00 N ATOM 694 CA THR A 47 6.672 -1.739 -2.270 1.00 0.00 C ATOM 695 C THR A 47 5.228 -1.868 -1.799 1.00 0.00 C ATOM 696 O THR A 47 4.962 -2.390 -0.716 1.00 0.00 O ATOM 697 CB THR A 47 7.351 -3.120 -2.193 1.00 0.00 C ATOM 698 OG1 THR A 47 8.705 -3.027 -2.650 1.00 0.00 O ATOM 699 CG2 THR A 47 6.596 -4.141 -3.032 1.00 0.00 C ATOM 0 H THR A 47 7.492 -0.983 -0.495 1.00 0.00 H new ATOM 0 HA THR A 47 6.684 -1.393 -3.304 1.00 0.00 H new ATOM 0 HB THR A 47 7.341 -3.448 -1.154 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.130 -3.909 -2.596 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.093 -5.108 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.574 -4.231 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.579 -3.816 -4.072 1.00 0.00 H new ATOM 707 N VAL A 48 4.298 -1.391 -2.619 1.00 0.00 N ATOM 708 CA VAL A 48 2.880 -1.455 -2.287 1.00 0.00 C ATOM 709 C VAL A 48 2.226 -2.686 -2.904 1.00 0.00 C ATOM 710 O VAL A 48 2.159 -2.819 -4.126 1.00 0.00 O ATOM 711 CB VAL A 48 2.134 -0.196 -2.768 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.649 -0.302 -2.453 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.733 1.052 -2.136 1.00 0.00 C ATOM 0 H VAL A 48 4.501 -0.956 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 48 2.812 -1.517 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 48 2.247 -0.119 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.138 0.596 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.232 -1.174 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.512 -0.404 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.194 1.932 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.652 0.985 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.783 1.134 -2.417 1.00 0.00 H new ATOM 723 N ARG A 49 1.745 -3.584 -2.050 1.00 0.00 N ATOM 724 CA ARG A 49 1.096 -4.805 -2.512 1.00 0.00 C ATOM 725 C ARG A 49 -0.420 -4.697 -2.383 1.00 0.00 C ATOM 726 O ARG A 49 -0.931 -3.981 -1.522 1.00 0.00 O ATOM 727 CB ARG A 49 1.602 -6.009 -1.714 1.00 0.00 C ATOM 728 CG ARG A 49 1.086 -6.053 -0.285 1.00 0.00 C ATOM 729 CD ARG A 49 2.074 -6.742 0.643 1.00 0.00 C ATOM 730 NE ARG A 49 1.880 -8.189 0.671 1.00 0.00 N ATOM 731 CZ ARG A 49 0.780 -8.775 1.132 1.00 0.00 C ATOM 732 NH1 ARG A 49 -0.219 -8.041 1.600 1.00 0.00 N ATOM 733 NH2 ARG A 49 0.679 -10.098 1.124 1.00 0.00 N ATOM 0 H ARG A 49 1.793 -3.489 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 49 1.345 -4.944 -3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.306 -6.924 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.692 -5.991 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.901 -5.038 0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.132 -6.579 -0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.091 -6.519 0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.964 -6.342 1.651 1.00 0.00 H new ATOM 0 HE ARG A 49 2.630 -8.783 0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.145 -7.024 1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.062 -8.493 1.953 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.446 -10.666 0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.166 -10.547 1.478 1.00 0.00 H new ATOM 747 N TRP A 50 -1.134 -5.413 -3.245 1.00 0.00 N ATOM 748 CA TRP A 50 -2.592 -5.397 -3.228 1.00 0.00 C ATOM 749 C TRP A 50 -3.158 -6.663 -3.863 1.00 0.00 C ATOM 750 O TRP A 50 -2.529 -7.268 -4.732 1.00 0.00 O ATOM 751 CB TRP A 50 -3.118 -4.164 -3.964 1.00 0.00 C ATOM 752 CG TRP A 50 -2.882 -4.209 -5.443 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.734 -4.694 -6.395 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.716 -3.755 -6.140 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.168 -4.567 -7.640 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.931 -3.994 -7.511 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.513 -3.167 -5.738 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.986 -3.666 -8.480 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.423 -2.843 -6.701 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.183 -3.092 -8.059 1.00 0.00 C ATOM 0 H TRP A 50 -0.727 -6.011 -3.964 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.918 -5.357 -2.189 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.187 -4.067 -3.777 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.641 -3.274 -3.554 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.709 -5.115 -6.198 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.599 -4.853 -8.519 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.319 -2.970 -4.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.169 -3.858 -9.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.356 -2.390 -6.402 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.935 -2.826 -8.787 1.00 0.00 H new ATOM 771 N LYS A 51 -4.348 -7.058 -3.426 1.00 0.00 N ATOM 772 CA LYS A 51 -5.000 -8.251 -3.952 1.00 0.00 C ATOM 773 C LYS A 51 -6.506 -8.198 -3.715 1.00 0.00 C ATOM 774 O LYS A 51 -7.015 -7.265 -3.093 1.00 0.00 O ATOM 775 CB LYS A 51 -4.414 -9.507 -3.302 1.00 0.00 C ATOM 776 CG LYS A 51 -4.497 -9.501 -1.786 1.00 0.00 C ATOM 777 CD LYS A 51 -5.803 -10.105 -1.296 1.00 0.00 C ATOM 778 CE LYS A 51 -5.677 -11.606 -1.082 1.00 0.00 C ATOM 779 NZ LYS A 51 -6.687 -12.114 -0.113 1.00 0.00 N ATOM 0 H LYS A 51 -4.882 -6.569 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.820 -8.288 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.940 -10.382 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.370 -9.607 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.658 -10.061 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.408 -8.478 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.099 -9.627 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.592 -9.905 -2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.797 -12.120 -2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.676 -11.838 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.917 -13.103 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.301 -12.059 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.549 -11.535 -0.175 1.00 0.00 H new ATOM 793 N THR A 52 -7.215 -9.207 -4.212 1.00 0.00 N ATOM 794 CA THR A 52 -8.662 -9.276 -4.053 1.00 0.00 C ATOM 795 C THR A 52 -9.045 -10.173 -2.882 1.00 0.00 C ATOM 796 O THR A 52 -8.537 -11.286 -2.749 1.00 0.00 O ATOM 797 CB THR A 52 -9.343 -9.801 -5.331 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.934 -11.149 -5.586 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.997 -8.926 -6.527 1.00 0.00 C ATOM 0 H THR A 52 -6.810 -9.988 -4.728 1.00 0.00 H new ATOM 0 HA THR A 52 -9.007 -8.261 -3.857 1.00 0.00 H new ATOM 0 HB THR A 52 -10.422 -9.772 -5.179 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.373 -11.476 -6.399 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.489 -9.316 -7.418 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.336 -7.907 -6.342 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.918 -8.927 -6.679 1.00 0.00 H new ATOM 807 N ASN A 53 -9.944 -9.682 -2.036 1.00 0.00 N ATOM 808 CA ASN A 53 -10.396 -10.441 -0.875 1.00 0.00 C ATOM 809 C ASN A 53 -11.092 -11.729 -1.304 1.00 0.00 C ATOM 810 O ASN A 53 -10.953 -12.767 -0.657 1.00 0.00 O ATOM 811 CB ASN A 53 -11.344 -9.594 -0.023 1.00 0.00 C ATOM 812 CG ASN A 53 -11.777 -10.308 1.243 1.00 0.00 C ATOM 813 OD1 ASN A 53 -12.927 -10.728 1.369 1.00 0.00 O ATOM 814 ND2 ASN A 53 -10.855 -10.448 2.188 1.00 0.00 N ATOM 0 H ASN A 53 -10.374 -8.762 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.521 -10.703 -0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.852 -8.658 0.241 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.225 -9.337 -0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.088 -10.920 3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.914 -10.084 2.040 1.00 0.00 H new ATOM 821 N ILE A 54 -11.841 -11.653 -2.399 1.00 0.00 N ATOM 822 CA ILE A 54 -12.558 -12.813 -2.915 1.00 0.00 C ATOM 823 C ILE A 54 -12.165 -13.103 -4.360 1.00 0.00 C ATOM 824 O ILE A 54 -12.257 -12.245 -5.238 1.00 0.00 O ATOM 825 CB ILE A 54 -14.083 -12.611 -2.840 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.519 -12.390 -1.390 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.805 -13.809 -3.439 1.00 0.00 C ATOM 828 CD1 ILE A 54 -14.131 -13.521 -0.463 1.00 0.00 C ATOM 0 H ILE A 54 -11.967 -10.801 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.281 -13.661 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.347 -11.725 -3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.078 -11.463 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.601 -12.261 -1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.882 -13.652 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.513 -13.925 -4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.538 -14.709 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -14.472 -13.296 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.594 -14.447 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.047 -13.636 -0.463 1.00 0.00 H new ATOM 840 N PRO A 55 -11.719 -14.342 -4.614 1.00 0.00 N ATOM 841 CA PRO A 55 -11.606 -15.371 -3.576 1.00 0.00 C ATOM 842 C PRO A 55 -10.492 -15.069 -2.580 1.00 0.00 C ATOM 843 O PRO A 55 -9.756 -14.094 -2.733 1.00 0.00 O ATOM 844 CB PRO A 55 -11.284 -16.640 -4.369 1.00 0.00 C ATOM 845 CG PRO A 55 -10.640 -16.153 -5.620 1.00 0.00 C ATOM 846 CD PRO A 55 -11.291 -14.834 -5.934 1.00 0.00 C ATOM 0 HA PRO A 55 -12.512 -15.445 -2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.617 -17.297 -3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.187 -17.211 -4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.565 -16.035 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.783 -16.863 -6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.594 -14.146 -6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.136 -14.954 -6.611 1.00 0.00 H new ATOM 854 N ALA A 56 -10.373 -15.911 -1.559 1.00 0.00 N ATOM 855 CA ALA A 56 -9.347 -15.735 -0.538 1.00 0.00 C ATOM 856 C ALA A 56 -7.950 -15.874 -1.135 1.00 0.00 C ATOM 857 O ALA A 56 -7.123 -14.971 -1.018 1.00 0.00 O ATOM 858 CB ALA A 56 -9.544 -16.739 0.588 1.00 0.00 C ATOM 0 H ALA A 56 -10.975 -16.722 -1.417 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.442 -14.728 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.771 -16.596 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.525 -16.591 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.478 -17.751 0.189 1.00 0.00 H new ATOM 864 N ASN A 57 -7.695 -17.011 -1.773 1.00 0.00 N ATOM 865 CA ASN A 57 -6.397 -17.268 -2.387 1.00 0.00 C ATOM 866 C ASN A 57 -6.293 -16.584 -3.747 1.00 0.00 C ATOM 867 O ASN A 57 -6.947 -16.988 -4.709 1.00 0.00 O ATOM 868 CB ASN A 57 -6.172 -18.774 -2.542 1.00 0.00 C ATOM 869 CG ASN A 57 -5.575 -19.401 -1.297 1.00 0.00 C ATOM 870 OD1 ASN A 57 -5.538 -18.782 -0.234 1.00 0.00 O ATOM 871 ND2 ASN A 57 -5.104 -20.636 -1.425 1.00 0.00 N ATOM 0 H ASN A 57 -8.369 -17.769 -1.879 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.627 -16.858 -1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.121 -19.259 -2.770 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.510 -18.954 -3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.690 -21.110 -0.622 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.156 -21.111 -2.326 1.00 0.00 H new ATOM 878 N THR A 58 -5.466 -15.546 -3.819 1.00 0.00 N ATOM 879 CA THR A 58 -5.277 -14.805 -5.060 1.00 0.00 C ATOM 880 C THR A 58 -3.890 -14.175 -5.117 1.00 0.00 C ATOM 881 O THR A 58 -3.497 -13.429 -4.220 1.00 0.00 O ATOM 882 CB THR A 58 -6.337 -13.700 -5.222 1.00 0.00 C ATOM 883 OG1 THR A 58 -6.509 -13.000 -3.984 1.00 0.00 O ATOM 884 CG2 THR A 58 -7.668 -14.288 -5.666 1.00 0.00 C ATOM 0 H THR A 58 -4.916 -15.199 -3.033 1.00 0.00 H new ATOM 0 HA THR A 58 -5.383 -15.521 -5.875 1.00 0.00 H new ATOM 0 HB THR A 58 -5.991 -13.005 -5.987 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.362 -12.518 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.401 -13.489 -5.774 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.541 -14.795 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.017 -15.002 -4.920 1.00 0.00 H new ATOM 892 N LYS A 59 -3.151 -14.478 -6.179 1.00 0.00 N ATOM 893 CA LYS A 59 -1.807 -13.940 -6.356 1.00 0.00 C ATOM 894 C LYS A 59 -1.712 -12.522 -5.801 1.00 0.00 C ATOM 895 O LYS A 59 -2.658 -11.741 -5.901 1.00 0.00 O ATOM 896 CB LYS A 59 -1.424 -13.946 -7.837 1.00 0.00 C ATOM 897 CG LYS A 59 0.062 -14.148 -8.080 1.00 0.00 C ATOM 898 CD LYS A 59 0.521 -13.441 -9.345 1.00 0.00 C ATOM 899 CE LYS A 59 0.975 -12.019 -9.055 1.00 0.00 C ATOM 900 NZ LYS A 59 1.828 -11.475 -10.148 1.00 0.00 N ATOM 0 H LYS A 59 -3.460 -15.094 -6.931 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.113 -14.575 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.977 -14.737 -8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.732 -13.002 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.626 -13.771 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.277 -15.214 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.339 -14.000 -9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.293 -13.424 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.103 -11.379 -8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.530 -11.999 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.117 -10.504 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.673 -12.071 -10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.290 -11.470 -11.038 1.00 0.00 H new ATOM 914 N TYR A 60 -0.564 -12.196 -5.218 1.00 0.00 N ATOM 915 CA TYR A 60 -0.345 -10.873 -4.647 1.00 0.00 C ATOM 916 C TYR A 60 0.423 -9.981 -5.617 1.00 0.00 C ATOM 917 O TYR A 60 1.548 -10.293 -6.009 1.00 0.00 O ATOM 918 CB TYR A 60 0.417 -10.984 -3.326 1.00 0.00 C ATOM 919 CG TYR A 60 -0.481 -11.136 -2.119 1.00 0.00 C ATOM 920 CD1 TYR A 60 -1.004 -12.375 -1.769 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.807 -10.041 -1.328 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.825 -12.518 -0.668 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.626 -10.175 -0.224 1.00 0.00 C ATOM 924 CZ TYR A 60 -2.134 -11.416 0.101 1.00 0.00 C ATOM 925 OH TYR A 60 -2.951 -11.555 1.200 1.00 0.00 O ATOM 0 H TYR A 60 0.230 -12.830 -5.128 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.319 -10.421 -4.460 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.092 -11.839 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.036 -10.096 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.764 -13.241 -2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.413 -9.068 -1.581 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.223 -13.488 -0.410 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.867 -9.314 0.381 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.068 -10.684 1.633 1.00 0.00 H new ATOM 935 N LYS A 61 -0.192 -8.868 -6.002 1.00 0.00 N ATOM 936 CA LYS A 61 0.432 -7.927 -6.925 1.00 0.00 C ATOM 937 C LYS A 61 1.208 -6.855 -6.167 1.00 0.00 C ATOM 938 O LYS A 61 0.686 -6.236 -5.241 1.00 0.00 O ATOM 939 CB LYS A 61 -0.629 -7.272 -7.812 1.00 0.00 C ATOM 940 CG LYS A 61 -1.018 -8.112 -9.016 1.00 0.00 C ATOM 941 CD LYS A 61 -1.482 -7.245 -10.175 1.00 0.00 C ATOM 942 CE LYS A 61 -2.167 -8.074 -11.251 1.00 0.00 C ATOM 943 NZ LYS A 61 -1.186 -8.843 -12.066 1.00 0.00 N ATOM 0 H LYS A 61 -1.124 -8.595 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 61 1.130 -8.481 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.519 -7.075 -7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.257 -6.307 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.166 -8.715 -9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.813 -8.803 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.170 -6.483 -9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.627 -6.723 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.872 -8.763 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.745 -7.418 -11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.692 -9.395 -12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.529 -8.184 -12.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.652 -9.487 -11.449 1.00 0.00 H new ATOM 957 N ASN A 62 2.457 -6.641 -6.567 1.00 0.00 N ATOM 958 CA ASN A 62 3.305 -5.643 -5.926 1.00 0.00 C ATOM 959 C ASN A 62 3.865 -4.663 -6.953 1.00 0.00 C ATOM 960 O ASN A 62 4.014 -4.998 -8.128 1.00 0.00 O ATOM 961 CB ASN A 62 4.452 -6.323 -5.176 1.00 0.00 C ATOM 962 CG ASN A 62 3.958 -7.307 -4.133 1.00 0.00 C ATOM 963 OD1 ASN A 62 4.278 -7.187 -2.950 1.00 0.00 O ATOM 964 ND2 ASN A 62 3.174 -8.286 -4.567 1.00 0.00 N ATOM 0 H ASN A 62 2.904 -7.146 -7.332 1.00 0.00 H new ATOM 0 HA ASN A 62 2.694 -5.087 -5.215 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.091 -6.844 -5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.067 -5.564 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.811 -8.978 -3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.934 -8.347 -5.557 1.00 0.00 H new ATOM 971 N ALA A 63 4.173 -3.452 -6.501 1.00 0.00 N ATOM 972 CA ALA A 63 4.718 -2.425 -7.379 1.00 0.00 C ATOM 973 C ALA A 63 5.975 -1.801 -6.780 1.00 0.00 C ATOM 974 O ALA A 63 6.432 -2.207 -5.713 1.00 0.00 O ATOM 975 CB ALA A 63 3.673 -1.353 -7.650 1.00 0.00 C ATOM 0 H ALA A 63 4.054 -3.158 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 63 4.992 -2.897 -8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.094 -0.592 -8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.804 -1.805 -8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.371 -0.893 -6.709 1.00 0.00 H new ATOM 981 N ASN A 64 6.528 -0.813 -7.476 1.00 0.00 N ATOM 982 CA ASN A 64 7.733 -0.134 -7.013 1.00 0.00 C ATOM 983 C ASN A 64 7.610 1.376 -7.193 1.00 0.00 C ATOM 984 O ASN A 64 7.448 1.867 -8.310 1.00 0.00 O ATOM 985 CB ASN A 64 8.957 -0.651 -7.771 1.00 0.00 C ATOM 986 CG ASN A 64 8.658 -0.931 -9.231 1.00 0.00 C ATOM 987 OD1 ASN A 64 8.321 -0.023 -9.992 1.00 0.00 O ATOM 988 ND2 ASN A 64 8.780 -2.192 -9.629 1.00 0.00 N ATOM 0 H ASN A 64 6.161 -0.465 -8.362 1.00 0.00 H new ATOM 0 HA ASN A 64 7.855 -0.346 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.760 0.083 -7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.317 -1.563 -7.295 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.592 -2.441 -10.600 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.062 -2.912 -8.964 1.00 0.00 H new ATOM 995 N ALA A 65 7.688 2.106 -6.085 1.00 0.00 N ATOM 996 CA ALA A 65 7.589 3.560 -6.121 1.00 0.00 C ATOM 997 C ALA A 65 8.161 4.181 -4.851 1.00 0.00 C ATOM 998 O ALA A 65 7.659 3.947 -3.751 1.00 0.00 O ATOM 999 CB ALA A 65 6.140 3.985 -6.311 1.00 0.00 C ATOM 0 H ALA A 65 7.819 1.715 -5.152 1.00 0.00 H new ATOM 0 HA ALA A 65 8.176 3.919 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.080 5.073 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.762 3.579 -7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.539 3.608 -5.484 1.00 0.00 H new ATOM 1005 N THR A 66 9.217 4.973 -5.009 1.00 0.00 N ATOM 1006 CA THR A 66 9.860 5.625 -3.875 1.00 0.00 C ATOM 1007 C THR A 66 9.146 6.922 -3.510 1.00 0.00 C ATOM 1008 O THR A 66 9.390 7.969 -4.112 1.00 0.00 O ATOM 1009 CB THR A 66 11.340 5.933 -4.169 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.441 7.028 -5.086 1.00 0.00 O ATOM 1011 CG2 THR A 66 12.042 4.713 -4.748 1.00 0.00 C ATOM 0 H THR A 66 9.645 5.178 -5.912 1.00 0.00 H new ATOM 0 HA THR A 66 9.801 4.931 -3.036 1.00 0.00 H new ATOM 0 HB THR A 66 11.825 6.201 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.589 7.511 -5.113 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.086 4.955 -4.948 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.990 3.891 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.554 4.419 -5.677 1.00 0.00 H new ATOM 1019 N THR A 67 8.262 6.847 -2.520 1.00 0.00 N ATOM 1020 CA THR A 67 7.512 8.015 -2.075 1.00 0.00 C ATOM 1021 C THR A 67 6.663 7.690 -0.852 1.00 0.00 C ATOM 1022 O THR A 67 6.656 6.556 -0.372 1.00 0.00 O ATOM 1023 CB THR A 67 6.599 8.555 -3.191 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.787 9.622 -2.688 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.709 7.451 -3.743 1.00 0.00 C ATOM 0 H THR A 67 8.048 5.989 -2.011 1.00 0.00 H new ATOM 0 HA THR A 67 8.244 8.779 -1.813 1.00 0.00 H new ATOM 0 HB THR A 67 7.230 8.929 -3.997 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.211 9.961 -3.405 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.073 7.856 -4.530 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.330 6.654 -4.152 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.086 7.051 -2.943 1.00 0.00 H new ATOM 1033 N LEU A 68 5.947 8.691 -0.351 1.00 0.00 N ATOM 1034 CA LEU A 68 5.093 8.511 0.817 1.00 0.00 C ATOM 1035 C LEU A 68 3.625 8.431 0.411 1.00 0.00 C ATOM 1036 O LEU A 68 2.731 8.617 1.236 1.00 0.00 O ATOM 1037 CB LEU A 68 5.298 9.660 1.806 1.00 0.00 C ATOM 1038 CG LEU A 68 6.391 9.456 2.855 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.944 10.795 3.318 1.00 0.00 C ATOM 1040 CD2 LEU A 68 5.853 8.661 4.037 1.00 0.00 C ATOM 0 H LEU A 68 5.941 9.636 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 68 5.370 7.573 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.529 10.563 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.355 9.840 2.323 1.00 0.00 H new ATOM 0 HG LEU A 68 7.203 8.889 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.721 10.629 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.367 11.328 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.141 11.389 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.644 8.525 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.023 9.202 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.507 7.687 3.693 1.00 0.00 H new ATOM 1052 N SER A 69 3.384 8.150 -0.866 1.00 0.00 N ATOM 1053 CA SER A 69 2.024 8.047 -1.383 1.00 0.00 C ATOM 1054 C SER A 69 2.014 7.381 -2.755 1.00 0.00 C ATOM 1055 O SER A 69 2.894 7.623 -3.582 1.00 0.00 O ATOM 1056 CB SER A 69 1.382 9.433 -1.470 1.00 0.00 C ATOM 1057 OG SER A 69 1.426 10.095 -0.219 1.00 0.00 O ATOM 0 H SER A 69 4.113 7.990 -1.561 1.00 0.00 H new ATOM 0 HA SER A 69 1.446 7.430 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.900 10.031 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.347 9.338 -1.798 1.00 0.00 H new ATOM 0 HG SER A 69 1.433 9.431 0.502 1.00 0.00 H new ATOM 1063 N TYR A 70 1.012 6.541 -2.991 1.00 0.00 N ATOM 1064 CA TYR A 70 0.887 5.838 -4.262 1.00 0.00 C ATOM 1065 C TYR A 70 -0.579 5.655 -4.641 1.00 0.00 C ATOM 1066 O TYR A 70 -1.376 5.137 -3.857 1.00 0.00 O ATOM 1067 CB TYR A 70 1.579 4.476 -4.186 1.00 0.00 C ATOM 1068 CG TYR A 70 1.321 3.597 -5.388 1.00 0.00 C ATOM 1069 CD1 TYR A 70 1.516 4.076 -6.678 1.00 0.00 C ATOM 1070 CD2 TYR A 70 0.883 2.288 -5.235 1.00 0.00 C ATOM 1071 CE1 TYR A 70 1.281 3.276 -7.780 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.646 1.480 -6.331 1.00 0.00 C ATOM 1073 CZ TYR A 70 0.846 1.979 -7.601 1.00 0.00 C ATOM 1074 OH TYR A 70 0.612 1.179 -8.696 1.00 0.00 O ATOM 0 H TYR A 70 0.275 6.331 -2.318 1.00 0.00 H new ATOM 0 HA TYR A 70 1.370 6.441 -5.031 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.653 4.629 -4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.243 3.957 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.857 5.091 -6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.725 1.894 -4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.437 3.664 -8.776 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.306 0.464 -6.194 1.00 0.00 H new ATOM 0 HH TYR A 70 0.312 0.295 -8.397 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.929 6.082 -5.850 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.299 5.966 -6.336 1.00 0.00 C ATOM 1086 C LEU A 71 -2.483 4.686 -7.146 1.00 0.00 C ATOM 1087 O LEU A 71 -1.892 4.525 -8.214 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.663 7.181 -7.191 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.984 7.092 -7.957 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -5.130 7.618 -7.107 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -3.893 7.859 -9.268 1.00 0.00 C ATOM 0 H LEU A 71 -0.282 6.512 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.962 5.926 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.700 8.057 -6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.860 7.348 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.180 6.044 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.062 7.547 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.209 7.025 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.942 8.660 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.842 7.785 -9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.673 8.907 -9.062 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.099 7.436 -9.883 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.307 3.779 -6.631 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.571 2.515 -7.308 1.00 0.00 C ATOM 1105 C VAL A 72 -4.655 2.675 -8.368 1.00 0.00 C ATOM 1106 O VAL A 72 -5.697 3.283 -8.120 1.00 0.00 O ATOM 1107 CB VAL A 72 -4.002 1.423 -6.310 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -4.119 0.077 -7.008 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -3.022 1.347 -5.148 1.00 0.00 C ATOM 0 H VAL A 72 -3.803 3.896 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.640 2.212 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.983 1.685 -5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.424 -0.681 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.862 0.143 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.154 -0.196 -7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.342 0.571 -4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.028 1.109 -5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.994 2.307 -4.632 1.00 0.00 H new ATOM 1119 N THR A 73 -4.403 2.124 -9.551 1.00 0.00 N ATOM 1120 CA THR A 73 -5.357 2.206 -10.650 1.00 0.00 C ATOM 1121 C THR A 73 -5.551 0.847 -11.312 1.00 0.00 C ATOM 1122 O THR A 73 -4.727 -0.054 -11.156 1.00 0.00 O ATOM 1123 CB THR A 73 -4.902 3.222 -11.715 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.600 2.874 -12.200 1.00 0.00 O ATOM 1125 CG2 THR A 73 -4.874 4.631 -11.141 1.00 0.00 C ATOM 0 H THR A 73 -3.547 1.616 -9.773 1.00 0.00 H new ATOM 0 HA THR A 73 -6.303 2.538 -10.222 1.00 0.00 H new ATOM 0 HB THR A 73 -5.615 3.195 -12.539 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.319 3.524 -12.878 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.550 5.331 -11.911 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.872 4.904 -10.799 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.180 4.668 -10.301 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.646 0.705 -12.054 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.927 -0.548 -12.729 1.00 0.00 C ATOM 1135 C GLY A 74 -7.490 -1.598 -11.792 1.00 0.00 C ATOM 1136 O GLY A 74 -6.975 -2.715 -11.718 1.00 0.00 O ATOM 0 H GLY A 74 -7.343 1.436 -12.199 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.635 -0.370 -13.538 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.011 -0.925 -13.184 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.547 -1.241 -11.072 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.180 -2.160 -10.132 1.00 0.00 C ATOM 1142 C LEU A 75 -10.610 -2.475 -10.558 1.00 0.00 C ATOM 1143 O LEU A 75 -11.164 -1.823 -11.443 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.174 -1.565 -8.723 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.803 -1.199 -8.155 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -7.940 -0.151 -7.061 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -7.098 -2.439 -7.622 1.00 0.00 C ATOM 0 H LEU A 75 -8.985 -0.321 -11.121 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.609 -3.088 -10.129 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.795 -0.669 -8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.646 -2.278 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.199 -0.779 -8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.954 0.097 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.403 0.746 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.562 -0.544 -6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.123 -2.160 -7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.700 -2.888 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.965 -3.158 -8.430 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.204 -3.479 -9.921 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.572 -3.879 -10.230 1.00 0.00 C ATOM 1161 C LYS A 76 -13.560 -3.226 -9.269 1.00 0.00 C ATOM 1162 O LYS A 76 -13.332 -3.152 -8.061 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.707 -5.402 -10.160 1.00 0.00 C ATOM 1164 CG LYS A 76 -14.122 -5.898 -10.400 1.00 0.00 C ATOM 1165 CD LYS A 76 -14.246 -7.387 -10.124 1.00 0.00 C ATOM 1166 CE LYS A 76 -15.696 -7.844 -10.167 1.00 0.00 C ATOM 1167 NZ LYS A 76 -15.818 -9.260 -10.610 1.00 0.00 N ATOM 0 H LYS A 76 -10.759 -4.031 -9.187 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.802 -3.545 -11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.043 -5.852 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.372 -5.744 -9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.814 -5.350 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.410 -5.693 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.666 -7.944 -10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.821 -7.613 -9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.141 -7.733 -9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.259 -7.202 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.821 -9.533 -10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.416 -9.361 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.302 -9.876 -9.950 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.686 -2.742 -9.815 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.732 -2.088 -9.023 1.00 0.00 C ATOM 1183 C PRO A 77 -16.475 -3.069 -8.122 1.00 0.00 C ATOM 1184 O PRO A 77 -16.535 -4.264 -8.407 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.676 -1.517 -10.085 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.469 -2.383 -11.280 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.023 -2.795 -11.247 1.00 0.00 C ATOM 0 HA PRO A 77 -15.323 -1.336 -8.348 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.713 -1.546 -9.750 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.441 -0.476 -10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.124 -3.254 -11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.700 -1.843 -12.198 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.881 -3.795 -11.657 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.399 -2.119 -11.832 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.039 -2.555 -7.034 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.778 -3.386 -6.091 1.00 0.00 C ATOM 1197 C ASN A 78 -16.971 -4.622 -5.706 1.00 0.00 C ATOM 1198 O ASN A 78 -17.473 -5.745 -5.753 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.120 -3.807 -6.693 1.00 0.00 C ATOM 1200 CG ASN A 78 -20.012 -4.506 -5.686 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.660 -4.637 -4.514 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -21.176 -4.958 -6.139 1.00 0.00 N ATOM 0 H ASN A 78 -16.998 -1.567 -6.784 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.959 -2.798 -5.192 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.634 -2.927 -7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -18.943 -4.470 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -21.818 -5.436 -5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -21.427 -4.827 -7.119 1.00 0.00 H new ATOM 1209 N THR A 79 -15.715 -4.407 -5.325 1.00 0.00 N ATOM 1210 CA THR A 79 -14.837 -5.502 -4.933 1.00 0.00 C ATOM 1211 C THR A 79 -13.861 -5.062 -3.848 1.00 0.00 C ATOM 1212 O THR A 79 -13.266 -3.987 -3.933 1.00 0.00 O ATOM 1213 CB THR A 79 -14.041 -6.042 -6.136 1.00 0.00 C ATOM 1214 OG1 THR A 79 -14.939 -6.538 -7.135 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.093 -7.151 -5.703 1.00 0.00 C ATOM 0 H THR A 79 -15.284 -3.484 -5.280 1.00 0.00 H new ATOM 0 HA THR A 79 -15.475 -6.295 -4.544 1.00 0.00 H new ATOM 0 HB THR A 79 -13.453 -5.224 -6.551 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.404 -5.787 -7.559 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.542 -7.517 -6.569 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.392 -6.763 -4.964 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.665 -7.969 -5.265 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.700 -5.899 -2.829 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.794 -5.597 -1.727 1.00 0.00 C ATOM 1225 C LEU A 80 -11.344 -5.854 -2.127 1.00 0.00 C ATOM 1226 O LEU A 80 -11.009 -6.927 -2.628 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.153 -6.438 -0.500 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.575 -5.961 0.833 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.070 -5.771 0.725 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.248 -4.670 1.275 1.00 0.00 C ATOM 0 H LEU A 80 -14.185 -6.792 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.902 -4.541 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.239 -6.470 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.817 -7.460 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.770 -6.725 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.676 -5.431 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.602 -6.718 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.851 -5.027 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.824 -4.346 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.085 -3.898 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.318 -4.840 1.394 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.489 -4.863 -1.900 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.075 -4.982 -2.237 1.00 0.00 C ATOM 1244 C TYR A 81 -8.200 -4.690 -1.022 1.00 0.00 C ATOM 1245 O TYR A 81 -8.627 -4.021 -0.082 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.719 -4.027 -3.377 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.883 -4.637 -4.751 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -10.127 -4.688 -5.367 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -7.792 -5.161 -5.434 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -10.281 -5.245 -6.621 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -7.936 -5.719 -6.690 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.182 -5.759 -7.279 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.331 -6.313 -8.529 1.00 0.00 O ATOM 0 H TYR A 81 -10.750 -3.969 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.889 -6.007 -2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.347 -3.139 -3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.687 -3.698 -3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -10.989 -4.285 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.815 -5.132 -4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.256 -5.278 -7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.078 -6.121 -7.207 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.461 -6.627 -8.853 1.00 0.00 H new ATOM 1263 N GLU A 82 -6.971 -5.197 -1.051 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.034 -4.991 0.048 1.00 0.00 C ATOM 1265 C GLU A 82 -4.958 -3.981 -0.338 1.00 0.00 C ATOM 1266 O GLU A 82 -4.580 -3.874 -1.504 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.385 -6.317 0.448 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.319 -7.250 1.201 1.00 0.00 C ATOM 1269 CD GLU A 82 -7.656 -7.422 0.507 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -7.664 -7.582 -0.732 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -8.693 -7.396 1.201 1.00 0.00 O ATOM 0 H GLU A 82 -6.601 -5.753 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.590 -4.596 0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.027 -6.822 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.512 -6.112 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.843 -8.224 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.483 -6.861 2.206 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.468 -3.241 0.652 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.436 -2.237 0.417 1.00 0.00 C ATOM 1280 C PHE A 83 -2.437 -2.205 1.570 1.00 0.00 C ATOM 1281 O PHE A 83 -2.814 -2.018 2.727 1.00 0.00 O ATOM 1282 CB PHE A 83 -4.070 -0.856 0.238 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.913 -0.739 -1.000 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.339 -0.843 -2.257 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.279 -0.527 -0.906 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.113 -0.735 -3.397 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.058 -0.419 -2.043 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.474 -0.524 -3.290 1.00 0.00 C ATOM 0 H PHE A 83 -4.769 -3.318 1.624 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.903 -2.505 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.685 -0.632 1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.281 -0.105 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.276 -1.010 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.741 -0.445 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.654 -0.816 -4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.122 -0.253 -1.956 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.080 -0.441 -4.180 1.00 0.00 H new ATOM 1298 N SER A 84 -1.162 -2.389 1.245 1.00 0.00 N ATOM 1299 CA SER A 84 -0.108 -2.386 2.253 1.00 0.00 C ATOM 1300 C SER A 84 1.170 -1.762 1.701 1.00 0.00 C ATOM 1301 O SER A 84 1.508 -1.943 0.531 1.00 0.00 O ATOM 1302 CB SER A 84 0.173 -3.812 2.732 1.00 0.00 C ATOM 1303 OG SER A 84 -0.910 -4.316 3.494 1.00 0.00 O ATOM 0 H SER A 84 -0.833 -2.542 0.292 1.00 0.00 H new ATOM 0 HA SER A 84 -0.449 -1.787 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.350 -4.459 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.082 -3.825 3.333 1.00 0.00 H new ATOM 0 HG SER A 84 -0.781 -5.275 3.652 1.00 0.00 H new ATOM 1309 N VAL A 85 1.877 -1.025 2.552 1.00 0.00 N ATOM 1310 CA VAL A 85 3.119 -0.374 2.152 1.00 0.00 C ATOM 1311 C VAL A 85 4.274 -0.792 3.053 1.00 0.00 C ATOM 1312 O VAL A 85 4.126 -0.872 4.272 1.00 0.00 O ATOM 1313 CB VAL A 85 2.984 1.160 2.186 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.045 1.809 1.309 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.589 1.582 1.750 1.00 0.00 C ATOM 0 H VAL A 85 1.611 -0.864 3.523 1.00 0.00 H new ATOM 0 HA VAL A 85 3.328 -0.691 1.130 1.00 0.00 H new ATOM 0 HB VAL A 85 3.137 1.498 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.934 2.893 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.035 1.533 1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.927 1.467 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.512 2.669 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.404 1.233 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.850 1.147 2.423 1.00 0.00 H new ATOM 1325 N MET A 86 5.426 -1.058 2.445 1.00 0.00 N ATOM 1326 CA MET A 86 6.609 -1.467 3.194 1.00 0.00 C ATOM 1327 C MET A 86 7.852 -0.747 2.682 1.00 0.00 C ATOM 1328 O MET A 86 7.874 -0.250 1.555 1.00 0.00 O ATOM 1329 CB MET A 86 6.803 -2.981 3.095 1.00 0.00 C ATOM 1330 CG MET A 86 7.663 -3.407 1.916 1.00 0.00 C ATOM 1331 SD MET A 86 9.420 -3.454 2.318 1.00 0.00 S ATOM 1332 CE MET A 86 9.581 -5.128 2.936 1.00 0.00 C ATOM 0 H MET A 86 5.565 -0.998 1.436 1.00 0.00 H new ATOM 0 HA MET A 86 6.459 -1.196 4.239 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.260 -3.342 4.017 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.827 -3.460 3.014 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.345 -4.393 1.577 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.502 -2.718 1.087 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.129 -5.117 3.878 1.00 0.00 H new ATOM 0 HE2 MET A 86 8.590 -5.553 3.097 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.122 -5.734 2.209 1.00 0.00 H new ATOM 1342 N VAL A 87 8.886 -0.695 3.515 1.00 0.00 N ATOM 1343 CA VAL A 87 10.134 -0.037 3.146 1.00 0.00 C ATOM 1344 C VAL A 87 11.311 -1.002 3.234 1.00 0.00 C ATOM 1345 O VAL A 87 11.397 -1.812 4.158 1.00 0.00 O ATOM 1346 CB VAL A 87 10.414 1.181 4.045 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.498 0.760 5.504 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.692 1.882 3.610 1.00 0.00 C ATOM 0 H VAL A 87 8.884 -1.101 4.451 1.00 0.00 H new ATOM 0 HA VAL A 87 10.021 0.300 2.116 1.00 0.00 H new ATOM 0 HB VAL A 87 9.588 1.884 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.696 1.634 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.554 0.307 5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.304 0.037 5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.874 2.740 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.530 1.189 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.589 2.220 2.579 1.00 0.00 H new ATOM 1358 N THR A 88 12.219 -0.910 2.267 1.00 0.00 N ATOM 1359 CA THR A 88 13.392 -1.774 2.235 1.00 0.00 C ATOM 1360 C THR A 88 14.675 -0.957 2.143 1.00 0.00 C ATOM 1361 O THR A 88 14.756 0.008 1.382 1.00 0.00 O ATOM 1362 CB THR A 88 13.334 -2.754 1.048 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.134 -3.533 1.113 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.544 -3.677 1.050 1.00 0.00 C ATOM 0 H THR A 88 12.164 -0.245 1.495 1.00 0.00 H new ATOM 0 HA THR A 88 13.393 -2.341 3.166 1.00 0.00 H new ATOM 0 HB THR A 88 13.340 -2.174 0.125 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.514 -3.125 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.482 -4.360 0.203 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.455 -3.083 0.971 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.563 -4.249 1.977 1.00 0.00 H new ATOM 1372 N LYS A 89 15.678 -1.349 2.921 1.00 0.00 N ATOM 1373 CA LYS A 89 16.960 -0.654 2.927 1.00 0.00 C ATOM 1374 C LYS A 89 18.048 -1.514 2.292 1.00 0.00 C ATOM 1375 O LYS A 89 19.042 -1.848 2.934 1.00 0.00 O ATOM 1376 CB LYS A 89 17.357 -0.285 4.358 1.00 0.00 C ATOM 1377 CG LYS A 89 18.211 0.968 4.448 1.00 0.00 C ATOM 1378 CD LYS A 89 17.410 2.214 4.108 1.00 0.00 C ATOM 1379 CE LYS A 89 17.980 3.447 4.794 1.00 0.00 C ATOM 1380 NZ LYS A 89 17.752 3.418 6.265 1.00 0.00 N ATOM 0 H LYS A 89 15.628 -2.145 3.556 1.00 0.00 H new ATOM 0 HA LYS A 89 16.853 0.258 2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.454 -0.143 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.902 -1.119 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.619 1.060 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 89 19.058 0.882 3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.410 2.364 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.372 2.075 4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.049 3.513 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.521 4.342 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.818 4.384 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.807 3.032 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.472 2.818 6.716 1.00 0.00 H new ATOM 1394 N GLY A 90 17.852 -1.869 1.025 1.00 0.00 N ATOM 1395 CA GLY A 90 18.825 -2.686 0.325 1.00 0.00 C ATOM 1396 C GLY A 90 18.906 -4.095 0.878 1.00 0.00 C ATOM 1397 O GLY A 90 18.388 -5.036 0.277 1.00 0.00 O ATOM 0 H GLY A 90 17.037 -1.605 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.565 -2.729 -0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.806 -2.216 0.393 1.00 0.00 H new ATOM 1401 N ARG A 91 19.558 -4.241 2.027 1.00 0.00 N ATOM 1402 CA ARG A 91 19.708 -5.546 2.660 1.00 0.00 C ATOM 1403 C ARG A 91 18.642 -5.755 3.732 1.00 0.00 C ATOM 1404 O ARG A 91 18.150 -6.867 3.924 1.00 0.00 O ATOM 1405 CB ARG A 91 21.101 -5.681 3.277 1.00 0.00 C ATOM 1406 CG ARG A 91 21.557 -7.121 3.443 1.00 0.00 C ATOM 1407 CD ARG A 91 23.039 -7.202 3.772 1.00 0.00 C ATOM 1408 NE ARG A 91 23.864 -7.276 2.569 1.00 0.00 N ATOM 1409 CZ ARG A 91 23.878 -8.323 1.751 1.00 0.00 C ATOM 1410 NH1 ARG A 91 23.116 -9.378 2.006 1.00 0.00 N ATOM 1411 NH2 ARG A 91 24.655 -8.316 0.676 1.00 0.00 N ATOM 0 H ARG A 91 19.991 -3.472 2.538 1.00 0.00 H new ATOM 0 HA ARG A 91 19.583 -6.311 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.819 -5.151 2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 91 21.106 -5.193 4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 91 20.981 -7.597 4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 91 21.356 -7.675 2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.329 -6.329 4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.225 -8.078 4.393 1.00 0.00 H new ATOM 0 HE ARG A 91 24.462 -6.481 2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 91 22.517 -9.387 2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 91 23.129 -10.180 1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 91 25.243 -7.506 0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 91 24.665 -9.120 0.049 1.00 0.00 H new ATOM 1425 N ARG A 92 18.291 -4.678 4.428 1.00 0.00 N ATOM 1426 CA ARG A 92 17.285 -4.744 5.481 1.00 0.00 C ATOM 1427 C ARG A 92 15.883 -4.576 4.905 1.00 0.00 C ATOM 1428 O ARG A 92 15.718 -4.244 3.732 1.00 0.00 O ATOM 1429 CB ARG A 92 17.549 -3.667 6.535 1.00 0.00 C ATOM 1430 CG ARG A 92 18.867 -3.843 7.271 1.00 0.00 C ATOM 1431 CD ARG A 92 19.349 -2.532 7.871 1.00 0.00 C ATOM 1432 NE ARG A 92 18.656 -2.213 9.117 1.00 0.00 N ATOM 1433 CZ ARG A 92 19.022 -2.685 10.303 1.00 0.00 C ATOM 1434 NH1 ARG A 92 20.068 -3.494 10.405 1.00 0.00 N ATOM 1435 NH2 ARG A 92 18.341 -2.349 11.391 1.00 0.00 N ATOM 0 H ARG A 92 18.688 -3.750 4.281 1.00 0.00 H new ATOM 0 HA ARG A 92 17.350 -5.726 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.540 -2.689 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.735 -3.673 7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.747 -4.584 8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.620 -4.229 6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.421 -2.591 8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.194 -1.726 7.153 1.00 0.00 H new ATOM 0 HE ARG A 92 17.847 -1.594 9.074 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.594 -3.755 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.347 -3.855 11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 92 17.536 -1.728 11.317 1.00 0.00 H new ATOM 0 HH22 ARG A 92 18.623 -2.712 12.302 1.00 0.00 H new ATOM 1449 N SER A 93 14.874 -4.808 5.740 1.00 0.00 N ATOM 1450 CA SER A 93 13.485 -4.687 5.312 1.00 0.00 C ATOM 1451 C SER A 93 12.538 -4.819 6.501 1.00 0.00 C ATOM 1452 O SER A 93 12.815 -5.551 7.451 1.00 0.00 O ATOM 1453 CB SER A 93 13.157 -5.751 4.263 1.00 0.00 C ATOM 1454 OG SER A 93 13.732 -7.000 4.607 1.00 0.00 O ATOM 0 H SER A 93 14.993 -5.081 6.716 1.00 0.00 H new ATOM 0 HA SER A 93 13.351 -3.700 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.076 -5.857 4.174 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.528 -5.432 3.289 1.00 0.00 H new ATOM 0 HG SER A 93 13.507 -7.664 3.922 1.00 0.00 H new ATOM 1460 N SER A 94 11.418 -4.105 6.439 1.00 0.00 N ATOM 1461 CA SER A 94 10.431 -4.138 7.512 1.00 0.00 C ATOM 1462 C SER A 94 9.256 -5.038 7.140 1.00 0.00 C ATOM 1463 O SER A 94 9.146 -5.500 6.004 1.00 0.00 O ATOM 1464 CB SER A 94 9.929 -2.726 7.816 1.00 0.00 C ATOM 1465 OG SER A 94 8.988 -2.298 6.846 1.00 0.00 O ATOM 0 H SER A 94 11.172 -3.497 5.658 1.00 0.00 H new ATOM 0 HA SER A 94 10.911 -4.544 8.402 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.471 -2.705 8.805 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.771 -2.035 7.840 1.00 0.00 H new ATOM 0 HG SER A 94 8.081 -2.409 7.199 1.00 0.00 H new ATOM 1471 N THR A 95 8.378 -5.285 8.108 1.00 0.00 N ATOM 1472 CA THR A 95 7.212 -6.130 7.885 1.00 0.00 C ATOM 1473 C THR A 95 6.118 -5.372 7.141 1.00 0.00 C ATOM 1474 O THR A 95 6.284 -4.202 6.798 1.00 0.00 O ATOM 1475 CB THR A 95 6.641 -6.661 9.213 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.718 -7.726 8.958 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.943 -5.552 9.984 1.00 0.00 C ATOM 0 H THR A 95 8.453 -4.911 9.054 1.00 0.00 H new ATOM 0 HA THR A 95 7.543 -6.973 7.278 1.00 0.00 H new ATOM 0 HB THR A 95 7.469 -7.035 9.816 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.361 -8.059 9.807 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.548 -5.951 10.918 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.655 -4.756 10.202 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.124 -5.152 9.385 1.00 0.00 H new ATOM 1485 N TRP A 96 5.000 -6.046 6.896 1.00 0.00 N ATOM 1486 CA TRP A 96 3.878 -5.435 6.193 1.00 0.00 C ATOM 1487 C TRP A 96 2.988 -4.659 7.159 1.00 0.00 C ATOM 1488 O TRP A 96 2.444 -5.225 8.107 1.00 0.00 O ATOM 1489 CB TRP A 96 3.057 -6.505 5.472 1.00 0.00 C ATOM 1490 CG TRP A 96 3.784 -7.138 4.324 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.152 -8.448 4.209 1.00 0.00 C ATOM 1492 CD2 TRP A 96 4.232 -6.487 3.130 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.802 -8.650 3.016 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.863 -7.463 2.335 1.00 0.00 C ATOM 1495 CE3 TRP A 96 4.159 -5.175 2.654 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.418 -7.167 1.093 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.710 -4.882 1.422 1.00 0.00 C ATOM 1498 CH2 TRP A 96 5.332 -5.874 0.652 1.00 0.00 C ATOM 0 H TRP A 96 4.846 -7.015 7.174 1.00 0.00 H new ATOM 0 HA TRP A 96 4.279 -4.738 5.457 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.776 -7.279 6.186 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.133 -6.058 5.106 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.960 -9.213 4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.178 -9.540 2.690 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.680 -4.404 3.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.899 -7.930 0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.661 -3.871 1.045 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.752 -5.613 -0.308 1.00 0.00 H new ATOM 1509 N SER A 97 2.844 -3.361 6.912 1.00 0.00 N ATOM 1510 CA SER A 97 2.023 -2.508 7.762 1.00 0.00 C ATOM 1511 C SER A 97 0.579 -2.998 7.791 1.00 0.00 C ATOM 1512 O SER A 97 0.214 -3.932 7.077 1.00 0.00 O ATOM 1513 CB SER A 97 2.072 -1.061 7.268 1.00 0.00 C ATOM 1514 OG SER A 97 1.429 -0.929 6.012 1.00 0.00 O ATOM 0 H SER A 97 3.285 -2.877 6.130 1.00 0.00 H new ATOM 0 HA SER A 97 2.424 -2.553 8.775 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.591 -0.408 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.109 -0.737 7.185 1.00 0.00 H new ATOM 0 HG SER A 97 1.770 -1.611 5.396 1.00 0.00 H new ATOM 1520 N MET A 98 -0.239 -2.361 8.622 1.00 0.00 N ATOM 1521 CA MET A 98 -1.645 -2.731 8.744 1.00 0.00 C ATOM 1522 C MET A 98 -2.334 -2.704 7.384 1.00 0.00 C ATOM 1523 O MET A 98 -2.452 -1.650 6.757 1.00 0.00 O ATOM 1524 CB MET A 98 -2.361 -1.787 9.711 1.00 0.00 C ATOM 1525 CG MET A 98 -2.215 -0.318 9.346 1.00 0.00 C ATOM 1526 SD MET A 98 -3.030 0.775 10.526 1.00 0.00 S ATOM 1527 CE MET A 98 -4.716 0.724 9.925 1.00 0.00 C ATOM 0 H MET A 98 0.047 -1.586 9.221 1.00 0.00 H new ATOM 0 HA MET A 98 -1.695 -3.747 9.136 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.420 -2.043 9.738 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.969 -1.944 10.716 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.156 -0.064 9.293 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.633 -0.151 8.353 1.00 0.00 H new ATOM 0 HE1 MET A 98 -5.346 1.353 10.554 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.748 1.089 8.899 1.00 0.00 H new ATOM 0 HE3 MET A 98 -5.083 -0.302 9.956 1.00 0.00 H new ATOM 1537 N THR A 99 -2.789 -3.869 6.932 1.00 0.00 N ATOM 1538 CA THR A 99 -3.465 -3.978 5.645 1.00 0.00 C ATOM 1539 C THR A 99 -4.744 -3.149 5.624 1.00 0.00 C ATOM 1540 O THR A 99 -5.708 -3.459 6.323 1.00 0.00 O ATOM 1541 CB THR A 99 -3.810 -5.442 5.315 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.633 -6.254 5.396 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.415 -5.555 3.924 1.00 0.00 C ATOM 0 H THR A 99 -2.701 -4.750 7.438 1.00 0.00 H new ATOM 0 HA THR A 99 -2.776 -3.596 4.892 1.00 0.00 H new ATOM 0 HB THR A 99 -4.543 -5.792 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.862 -7.184 5.186 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.650 -6.598 3.713 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.327 -4.960 3.874 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.702 -5.188 3.186 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.746 -2.093 4.817 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.908 -1.221 4.703 1.00 0.00 C ATOM 1553 C ALA A 100 -6.876 -1.731 3.641 1.00 0.00 C ATOM 1554 O ALA A 100 -6.496 -1.934 2.487 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.471 0.201 4.382 1.00 0.00 C ATOM 0 H ALA A 100 -3.956 -1.821 4.233 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.428 -1.223 5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.349 0.842 4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.825 0.571 5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.926 0.210 3.438 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.127 -1.939 4.038 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.150 -2.427 3.119 1.00 0.00 C ATOM 1563 C HIS A 101 -9.952 -1.268 2.535 1.00 0.00 C ATOM 1564 O HIS A 101 -10.467 -0.425 3.268 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.086 -3.401 3.835 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.438 -4.705 4.188 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.434 -5.222 5.466 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.771 -5.598 3.420 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.792 -6.376 5.469 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.380 -6.628 4.240 1.00 0.00 N ATOM 0 H HIS A 101 -8.457 -1.777 4.989 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.651 -2.949 2.302 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.458 -2.931 4.746 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.950 -3.594 3.200 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.582 -5.516 2.360 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.631 -7.007 6.331 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.857 -7.453 3.947 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.054 -1.234 1.210 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.794 -0.174 0.550 1.00 0.00 C ATOM 1581 C GLY A 102 -11.787 -0.706 -0.465 1.00 0.00 C ATOM 1582 O GLY A 102 -11.419 -1.445 -1.378 1.00 0.00 O ATOM 0 H GLY A 102 -9.638 -1.921 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.324 0.415 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.095 0.498 0.052 1.00 0.00 H new ATOM 1586 N THR A 103 -13.052 -0.330 -0.305 1.00 0.00 N ATOM 1587 CA THR A 103 -14.102 -0.776 -1.212 1.00 0.00 C ATOM 1588 C THR A 103 -14.470 0.318 -2.208 1.00 0.00 C ATOM 1589 O THR A 103 -15.032 1.349 -1.835 1.00 0.00 O ATOM 1590 CB THR A 103 -15.367 -1.200 -0.442 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.013 -2.059 0.647 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.346 -1.915 -1.361 1.00 0.00 C ATOM 0 H THR A 103 -13.374 0.282 0.444 1.00 0.00 H new ATOM 0 HA THR A 103 -13.708 -1.637 -1.752 1.00 0.00 H new ATOM 0 HB THR A 103 -15.847 -0.302 -0.054 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.823 -2.323 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.231 -2.205 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.637 -1.248 -2.173 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.873 -2.805 -1.775 1.00 0.00 H new ATOM 1600 N THR A 104 -14.150 0.088 -3.477 1.00 0.00 N ATOM 1601 CA THR A 104 -14.447 1.055 -4.527 1.00 0.00 C ATOM 1602 C THR A 104 -15.950 1.192 -4.740 1.00 0.00 C ATOM 1603 O THR A 104 -16.727 0.335 -4.320 1.00 0.00 O ATOM 1604 CB THR A 104 -13.785 0.657 -5.860 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.128 -0.693 -6.193 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.273 0.796 -5.776 1.00 0.00 C ATOM 0 H THR A 104 -13.685 -0.759 -3.803 1.00 0.00 H new ATOM 0 HA THR A 104 -14.041 2.012 -4.199 1.00 0.00 H new ATOM 0 HB THR A 104 -14.152 1.327 -6.637 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.400 -1.097 -6.710 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.828 0.509 -6.729 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.015 1.831 -5.551 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.891 0.147 -4.988 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.354 2.275 -5.396 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.765 2.524 -5.664 1.00 0.00 C ATOM 1616 C PHE A 105 -18.285 1.589 -6.752 1.00 0.00 C ATOM 1617 O PHE A 105 -17.516 1.080 -7.566 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.977 3.980 -6.084 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.772 4.962 -4.965 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.422 4.797 -3.753 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.930 6.051 -5.127 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.236 5.698 -2.722 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.739 6.955 -4.099 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.394 6.779 -2.896 1.00 0.00 C ATOM 0 H PHE A 105 -15.724 2.994 -5.752 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.322 2.332 -4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.291 4.219 -6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.988 4.093 -6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.082 3.954 -3.612 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.418 6.195 -6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.748 5.557 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -16.078 7.798 -4.236 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.248 7.486 -2.092 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.596 1.368 -6.757 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.219 0.493 -7.743 1.00 0.00 C ATOM 1636 C GLU A 106 -20.261 1.162 -9.114 1.00 0.00 C ATOM 1637 O GLU A 106 -20.670 2.317 -9.242 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.635 0.118 -7.303 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.674 -0.803 -6.095 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.008 -0.767 -5.377 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -24.033 -1.098 -6.009 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -23.028 -0.408 -4.181 1.00 0.00 O ATOM 0 H GLU A 106 -20.247 1.783 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.618 -0.413 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.188 1.029 -7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.149 -0.365 -8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.465 -1.824 -6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -20.884 -0.518 -5.400 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.834 0.429 -10.137 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.822 0.950 -11.499 1.00 0.00 C ATOM 1651 C LEU A 107 -20.991 0.394 -12.306 1.00 0.00 C ATOM 1652 O LEU A 107 -20.884 -0.665 -12.924 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.501 0.601 -12.188 1.00 0.00 C ATOM 1654 CG LEU A 107 -18.432 0.883 -13.689 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -18.477 2.380 -13.954 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -17.175 0.271 -14.289 1.00 0.00 C ATOM 0 H LEU A 107 -19.492 -0.528 -10.049 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.923 2.034 -11.447 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.701 1.155 -11.697 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.300 -0.458 -12.028 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.299 0.425 -14.165 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.427 2.561 -15.028 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.406 2.792 -13.560 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.630 2.862 -13.465 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.142 0.482 -15.358 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -16.296 0.700 -13.808 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.185 -0.808 -14.132 1.00 0.00 H new