USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=40 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 86 MET CE :methyl -111:sc=-0.00413 (180deg=-0.399) USER MOD Set 1.2: A 88 THR OG1 : rot 110:sc= 0 USER MOD Set 2.1: A 67 THR OG1 : rot 180:sc= -0.592! USER MOD Set 2.2: A 69 SER OG : rot 47:sc= 0.038 USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 THR OG1 : rot 1:sc= 0.793 USER MOD Set 4.1: A 37 HIS : no HD1:sc= -4.55! C(o=-4.6!,f=-7.3!) USER MOD Set 4.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 21 SER OG : rot -80:sc= 0.096 USER MOD Set 5.2: A 22 HIS : no HD1:sc= -0.913 K(o=-0.82,f=-1.7) USER MOD Single : A 9 MET CE :methyl -116:sc= -2.58! (180deg=-2.97!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc=-0.00253 F(o=-0.64,f=-0.0025) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.693 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.61 K(o=-0.61,f=-5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= -0.0624 (180deg=-0.405) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.959 F(o=-1.9!,f=-0.96) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=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 180:sc= -0.0329 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= -0.57 (180deg=-1.22) USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -158:sc= -0.116 USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= -0.0925 (180deg=-0.475) USER MOD Single : A 62 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.015) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.898 F(o=-0.34,f=0.9) USER MOD Single : A 66 THR OG1 : rot 55:sc= 1.29 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= -0.119 X(o=-0.12,f=-0.3) USER MOD Single : A 79 THR OG1 : rot 71:sc= 1.13 USER MOD Single : A 81 TYR OH : rot 180:sc= 0.0391 USER MOD Single : A 84 SER OG : rot -111:sc= -2.4 USER MOD Single : A 89 LYS NZ :NH3+ 157:sc= -0.0761 (180deg=-0.417) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 145:sc=-0.00641 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 97 SER OG : rot -28:sc= -0.524 USER MOD Single : A 98 MET CE :methyl -169:sc=-0.000933 (180deg=-0.168) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.585 X(o=-0.59,f=-0.2) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -163:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.221 -2.135 10.228 1.00 0.00 N ATOM 81 CA MET A 9 12.929 -0.740 9.918 1.00 0.00 C ATOM 82 C MET A 9 11.481 -0.399 10.257 1.00 0.00 C ATOM 83 O MET A 9 10.617 -1.275 10.283 1.00 0.00 O ATOM 84 CB MET A 9 13.199 -0.456 8.439 1.00 0.00 C ATOM 85 CG MET A 9 14.645 -0.092 8.145 1.00 0.00 C ATOM 86 SD MET A 9 15.058 -0.250 6.397 1.00 0.00 S ATOM 87 CE MET A 9 14.019 1.025 5.686 1.00 0.00 C ATOM 0 HA MET A 9 13.583 -0.115 10.526 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.928 -1.334 7.853 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.554 0.358 8.110 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.831 0.933 8.467 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.304 -0.734 8.730 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.282 0.568 5.026 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.507 1.564 6.483 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.635 1.720 5.116 1.00 0.00 H new ATOM 97 N MET A 10 11.224 0.878 10.517 1.00 0.00 N ATOM 98 CA MET A 10 9.880 1.334 10.854 1.00 0.00 C ATOM 99 C MET A 10 8.999 1.395 9.610 1.00 0.00 C ATOM 100 O MET A 10 9.243 2.170 8.685 1.00 0.00 O ATOM 101 CB MET A 10 9.937 2.709 11.521 1.00 0.00 C ATOM 102 CG MET A 10 10.646 2.704 12.865 1.00 0.00 C ATOM 103 SD MET A 10 12.439 2.591 12.704 1.00 0.00 S ATOM 104 CE MET A 10 12.815 1.373 13.963 1.00 0.00 C ATOM 0 H MET A 10 11.928 1.616 10.501 1.00 0.00 H new ATOM 0 HA MET A 10 9.445 0.618 11.551 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.445 3.406 10.854 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.921 3.080 11.657 1.00 0.00 H new ATOM 0 HG2 MET A 10 10.391 3.613 13.410 1.00 0.00 H new ATOM 0 HG3 MET A 10 10.285 1.864 13.459 1.00 0.00 H new ATOM 0 HE1 MET A 10 13.890 1.194 13.987 1.00 0.00 H new ATOM 0 HE2 MET A 10 12.487 1.741 14.935 1.00 0.00 H new ATOM 0 HE3 MET A 10 12.297 0.442 13.734 1.00 0.00 H new ATOM 114 N PRO A 11 7.951 0.559 9.585 1.00 0.00 N ATOM 115 CA PRO A 11 7.012 0.500 8.460 1.00 0.00 C ATOM 116 C PRO A 11 6.143 1.749 8.363 1.00 0.00 C ATOM 117 O PRO A 11 6.049 2.542 9.300 1.00 0.00 O ATOM 118 CB PRO A 11 6.153 -0.726 8.779 1.00 0.00 C ATOM 119 CG PRO A 11 6.228 -0.866 10.260 1.00 0.00 C ATOM 120 CD PRO A 11 7.600 -0.393 10.652 1.00 0.00 C ATOM 0 HA PRO A 11 7.528 0.439 7.502 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.125 -0.586 8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.532 -1.616 8.277 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.456 -0.271 10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.071 -1.901 10.562 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.595 0.085 11.632 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.310 -1.218 10.704 1.00 0.00 H new ATOM 128 N PRO A 12 5.492 1.929 7.205 1.00 0.00 N ATOM 129 CA PRO A 12 4.618 3.080 6.959 1.00 0.00 C ATOM 130 C PRO A 12 3.336 3.021 7.784 1.00 0.00 C ATOM 131 O PRO A 12 2.543 2.089 7.651 1.00 0.00 O ATOM 132 CB PRO A 12 4.299 2.971 5.466 1.00 0.00 C ATOM 133 CG PRO A 12 4.460 1.524 5.149 1.00 0.00 C ATOM 134 CD PRO A 12 5.558 1.024 6.046 1.00 0.00 C ATOM 0 HA PRO A 12 5.093 4.020 7.239 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.287 3.313 5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.975 3.584 4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.532 0.980 5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.717 1.381 4.100 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.397 -0.014 6.337 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.530 1.070 5.555 1.00 0.00 H new ATOM 142 N VAL A 13 3.140 4.023 8.635 1.00 0.00 N ATOM 143 CA VAL A 13 1.953 4.085 9.480 1.00 0.00 C ATOM 144 C VAL A 13 0.877 4.964 8.853 1.00 0.00 C ATOM 145 O VAL A 13 1.060 5.505 7.763 1.00 0.00 O ATOM 146 CB VAL A 13 2.290 4.628 10.882 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.344 3.760 11.552 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.755 6.074 10.795 1.00 0.00 C ATOM 0 H VAL A 13 3.787 4.802 8.758 1.00 0.00 H new ATOM 0 HA VAL A 13 1.577 3.066 9.573 1.00 0.00 H new ATOM 0 HB VAL A 13 1.387 4.596 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.569 4.159 12.541 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.969 2.741 11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.251 3.757 10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.989 6.442 11.794 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.645 6.133 10.169 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.964 6.685 10.359 1.00 0.00 H new ATOM 158 N GLY A 14 -0.248 5.102 9.549 1.00 0.00 N ATOM 159 CA GLY A 14 -1.337 5.916 9.044 1.00 0.00 C ATOM 160 C GLY A 14 -1.716 5.560 7.620 1.00 0.00 C ATOM 161 O GLY A 14 -2.111 6.426 6.839 1.00 0.00 O ATOM 0 H GLY A 14 -0.424 4.664 10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.207 5.794 9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.052 6.967 9.089 1.00 0.00 H new ATOM 165 N VAL A 15 -1.595 4.281 7.279 1.00 0.00 N ATOM 166 CA VAL A 15 -1.927 3.812 5.940 1.00 0.00 C ATOM 167 C VAL A 15 -3.437 3.757 5.735 1.00 0.00 C ATOM 168 O VAL A 15 -4.142 3.035 6.439 1.00 0.00 O ATOM 169 CB VAL A 15 -1.333 2.416 5.670 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.721 1.930 4.282 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.180 2.442 5.832 1.00 0.00 C ATOM 0 H VAL A 15 -1.269 3.551 7.913 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.493 4.525 5.239 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.742 1.718 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.293 0.943 4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.807 1.873 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.342 2.626 3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.584 1.448 5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.609 3.153 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.432 2.744 6.849 1.00 0.00 H new ATOM 181 N GLN A 16 -3.926 4.524 4.766 1.00 0.00 N ATOM 182 CA GLN A 16 -5.353 4.563 4.469 1.00 0.00 C ATOM 183 C GLN A 16 -5.595 4.564 2.964 1.00 0.00 C ATOM 184 O GLN A 16 -4.655 4.634 2.174 1.00 0.00 O ATOM 185 CB GLN A 16 -5.993 5.800 5.102 1.00 0.00 C ATOM 186 CG GLN A 16 -6.211 5.672 6.601 1.00 0.00 C ATOM 187 CD GLN A 16 -7.500 4.952 6.944 1.00 0.00 C ATOM 188 OE1 GLN A 16 -7.490 3.630 6.825 1.00 0.00 O flip ATOM 189 NE2 GLN A 16 -8.495 5.577 7.313 1.00 0.00 N flip ATOM 0 H GLN A 16 -3.355 5.127 4.173 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.812 3.669 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.360 6.666 4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.951 5.991 4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.371 5.135 7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.224 6.666 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.459 6.593 7.391 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.355 5.078 7.541 1.00 0.00 H new ATOM 198 N ALA A 17 -6.864 4.486 2.574 1.00 0.00 N ATOM 199 CA ALA A 17 -7.230 4.479 1.163 1.00 0.00 C ATOM 200 C ALA A 17 -8.208 5.605 0.845 1.00 0.00 C ATOM 201 O ALA A 17 -9.054 5.956 1.667 1.00 0.00 O ATOM 202 CB ALA A 17 -7.828 3.134 0.779 1.00 0.00 C ATOM 0 H ALA A 17 -7.655 4.427 3.215 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.325 4.642 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.097 3.143 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.097 2.346 0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.719 2.948 1.378 1.00 0.00 H new ATOM 208 N SER A 18 -8.086 6.167 -0.353 1.00 0.00 N ATOM 209 CA SER A 18 -8.957 7.257 -0.778 1.00 0.00 C ATOM 210 C SER A 18 -9.715 6.883 -2.049 1.00 0.00 C ATOM 211 O SER A 18 -9.171 6.949 -3.151 1.00 0.00 O ATOM 212 CB SER A 18 -8.140 8.528 -1.015 1.00 0.00 C ATOM 213 OG SER A 18 -8.915 9.687 -0.760 1.00 0.00 O ATOM 0 H SER A 18 -7.393 5.886 -1.047 1.00 0.00 H new ATOM 0 HA SER A 18 -9.681 7.441 0.016 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.261 8.525 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.780 8.546 -2.044 1.00 0.00 H new ATOM 0 HG SER A 18 -8.370 10.486 -0.917 1.00 0.00 H new ATOM 219 N ILE A 19 -10.974 6.489 -1.884 1.00 0.00 N ATOM 220 CA ILE A 19 -11.807 6.105 -3.017 1.00 0.00 C ATOM 221 C ILE A 19 -12.103 7.303 -3.913 1.00 0.00 C ATOM 222 O ILE A 19 -12.872 8.192 -3.545 1.00 0.00 O ATOM 223 CB ILE A 19 -13.138 5.485 -2.552 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.877 4.347 -1.563 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.935 4.983 -3.746 1.00 0.00 C ATOM 226 CD1 ILE A 19 -12.178 3.157 -2.182 1.00 0.00 C ATOM 0 H ILE A 19 -11.439 6.428 -0.978 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.247 5.361 -3.583 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.723 6.254 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.273 4.725 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.826 4.020 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.873 4.548 -3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.147 5.815 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.357 4.226 -4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.026 2.389 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.791 2.754 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.213 3.469 -2.581 1.00 0.00 H new ATOM 238 N LEU A 20 -11.490 7.320 -5.091 1.00 0.00 N ATOM 239 CA LEU A 20 -11.689 8.408 -6.042 1.00 0.00 C ATOM 240 C LEU A 20 -12.562 7.958 -7.209 1.00 0.00 C ATOM 241 O LEU A 20 -13.399 8.716 -7.699 1.00 0.00 O ATOM 242 CB LEU A 20 -10.341 8.910 -6.562 1.00 0.00 C ATOM 243 CG LEU A 20 -9.300 9.263 -5.498 1.00 0.00 C ATOM 244 CD1 LEU A 20 -7.978 9.640 -6.149 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.804 10.395 -4.614 1.00 0.00 C ATOM 0 H LEU A 20 -10.851 6.592 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.197 9.222 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.919 8.146 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.517 9.793 -7.176 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.136 8.386 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.250 9.888 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.610 8.800 -6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.125 10.502 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.051 10.633 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.997 11.276 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.725 10.088 -4.119 1.00 0.00 H new ATOM 257 N SER A 21 -12.362 6.720 -7.648 1.00 0.00 N ATOM 258 CA SER A 21 -13.129 6.169 -8.759 1.00 0.00 C ATOM 259 C SER A 21 -13.339 4.668 -8.584 1.00 0.00 C ATOM 260 O SER A 21 -12.761 4.049 -7.689 1.00 0.00 O ATOM 261 CB SER A 21 -12.417 6.445 -10.085 1.00 0.00 C ATOM 262 OG SER A 21 -13.348 6.591 -11.143 1.00 0.00 O ATOM 0 H SER A 21 -11.675 6.079 -7.251 1.00 0.00 H new ATOM 0 HA SER A 21 -14.104 6.655 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.817 7.350 -9.997 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.731 5.628 -10.310 1.00 0.00 H new ATOM 0 HG SER A 21 -13.640 5.706 -11.446 1.00 0.00 H new ATOM 268 N HIS A 22 -14.170 4.089 -9.444 1.00 0.00 N ATOM 269 CA HIS A 22 -14.456 2.660 -9.386 1.00 0.00 C ATOM 270 C HIS A 22 -13.168 1.844 -9.457 1.00 0.00 C ATOM 271 O HIS A 22 -13.101 0.725 -8.947 1.00 0.00 O ATOM 272 CB HIS A 22 -15.391 2.258 -10.527 1.00 0.00 C ATOM 273 CG HIS A 22 -14.877 2.634 -11.882 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.915 3.923 -12.371 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.310 1.881 -12.854 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.394 3.946 -13.585 1.00 0.00 C ATOM 277 NE2 HIS A 22 -14.019 2.720 -13.901 1.00 0.00 N ATOM 0 H HIS A 22 -14.657 4.587 -10.189 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.946 2.452 -8.435 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.549 1.180 -10.494 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.362 2.728 -10.373 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.122 0.818 -12.813 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.292 4.819 -14.212 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.584 2.441 -14.780 1.00 0.00 H new ATOM 286 N ASP A 23 -12.149 2.411 -10.093 1.00 0.00 N ATOM 287 CA ASP A 23 -10.863 1.737 -10.230 1.00 0.00 C ATOM 288 C ASP A 23 -9.714 2.692 -9.923 1.00 0.00 C ATOM 289 O ASP A 23 -8.644 2.610 -10.528 1.00 0.00 O ATOM 290 CB ASP A 23 -10.709 1.172 -11.643 1.00 0.00 C ATOM 291 CG ASP A 23 -11.825 0.214 -12.009 1.00 0.00 C ATOM 292 OD1 ASP A 23 -12.575 -0.197 -11.099 1.00 0.00 O ATOM 293 OD2 ASP A 23 -11.948 -0.126 -13.204 1.00 0.00 O ATOM 0 H ASP A 23 -12.188 3.336 -10.522 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.831 0.917 -9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.690 1.993 -12.359 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.752 0.657 -11.723 1.00 0.00 H new ATOM 298 N THR A 24 -9.941 3.598 -8.977 1.00 0.00 N ATOM 299 CA THR A 24 -8.926 4.570 -8.590 1.00 0.00 C ATOM 300 C THR A 24 -8.908 4.775 -7.080 1.00 0.00 C ATOM 301 O THR A 24 -9.931 5.103 -6.477 1.00 0.00 O ATOM 302 CB THR A 24 -9.157 5.929 -9.278 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.470 5.730 -10.661 1.00 0.00 O ATOM 304 CG2 THR A 24 -7.927 6.814 -9.154 1.00 0.00 C ATOM 0 H THR A 24 -10.819 3.679 -8.465 1.00 0.00 H new ATOM 0 HA THR A 24 -7.965 4.167 -8.911 1.00 0.00 H new ATOM 0 HB THR A 24 -9.993 6.425 -8.784 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.617 6.598 -11.091 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.114 7.768 -9.647 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.708 6.987 -8.100 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.076 6.322 -9.625 1.00 0.00 H new ATOM 312 N ILE A 25 -7.741 4.581 -6.475 1.00 0.00 N ATOM 313 CA ILE A 25 -7.592 4.747 -5.034 1.00 0.00 C ATOM 314 C ILE A 25 -6.230 5.340 -4.688 1.00 0.00 C ATOM 315 O ILE A 25 -5.208 4.943 -5.248 1.00 0.00 O ATOM 316 CB ILE A 25 -7.759 3.407 -4.293 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.091 2.755 -4.668 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.672 3.619 -2.789 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.185 1.299 -4.269 1.00 0.00 C ATOM 0 H ILE A 25 -6.886 4.309 -6.959 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.377 5.431 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.952 2.739 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.902 3.306 -4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.236 2.838 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.792 2.663 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.701 4.045 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.461 4.301 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.156 0.902 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.395 0.734 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.072 1.210 -3.189 1.00 0.00 H new ATOM 331 N ARG A 26 -6.224 6.291 -3.760 1.00 0.00 N ATOM 332 CA ARG A 26 -4.988 6.938 -3.337 1.00 0.00 C ATOM 333 C ARG A 26 -4.518 6.389 -1.993 1.00 0.00 C ATOM 334 O ARG A 26 -5.123 6.660 -0.956 1.00 0.00 O ATOM 335 CB ARG A 26 -5.188 8.452 -3.240 1.00 0.00 C ATOM 336 CG ARG A 26 -3.888 9.240 -3.260 1.00 0.00 C ATOM 337 CD ARG A 26 -4.146 10.738 -3.323 1.00 0.00 C ATOM 338 NE ARG A 26 -4.712 11.248 -2.077 1.00 0.00 N ATOM 339 CZ ARG A 26 -5.275 12.446 -1.962 1.00 0.00 C ATOM 340 NH1 ARG A 26 -5.347 13.252 -3.012 1.00 0.00 N ATOM 341 NH2 ARG A 26 -5.767 12.839 -0.794 1.00 0.00 N ATOM 0 H ARG A 26 -7.061 6.631 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.223 6.726 -4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.815 8.781 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.728 8.681 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.306 9.007 -2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.290 8.936 -4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.212 11.258 -3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.827 10.954 -4.146 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.673 10.652 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.970 12.953 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.780 14.171 -2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.713 12.221 0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.199 13.759 -0.706 1.00 0.00 H new ATOM 355 N ILE A 27 -3.437 5.617 -2.021 1.00 0.00 N ATOM 356 CA ILE A 27 -2.887 5.031 -0.805 1.00 0.00 C ATOM 357 C ILE A 27 -1.799 5.919 -0.211 1.00 0.00 C ATOM 358 O ILE A 27 -0.674 5.962 -0.710 1.00 0.00 O ATOM 359 CB ILE A 27 -2.302 3.631 -1.070 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.386 2.696 -1.610 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.691 3.063 0.202 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.634 2.660 -0.756 1.00 0.00 C ATOM 0 H ILE A 27 -2.925 5.383 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.710 4.944 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.516 3.718 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.655 3.009 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.979 1.688 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.282 2.073 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.894 3.721 0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.459 2.987 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.359 1.977 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.379 2.318 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.065 3.660 -0.699 1.00 0.00 H new ATOM 374 N THR A 28 -2.141 6.627 0.861 1.00 0.00 N ATOM 375 CA THR A 28 -1.195 7.514 1.526 1.00 0.00 C ATOM 376 C THR A 28 -0.769 6.952 2.877 1.00 0.00 C ATOM 377 O THR A 28 -1.539 6.257 3.541 1.00 0.00 O ATOM 378 CB THR A 28 -1.791 8.920 1.732 1.00 0.00 C ATOM 379 OG1 THR A 28 -3.003 8.831 2.489 1.00 0.00 O ATOM 380 CG2 THR A 28 -2.070 9.591 0.395 1.00 0.00 C ATOM 0 H THR A 28 -3.067 6.603 1.287 1.00 0.00 H new ATOM 0 HA THR A 28 -0.323 7.589 0.876 1.00 0.00 H new ATOM 0 HB THR A 28 -1.065 9.522 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.375 9.728 2.617 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.490 10.582 0.566 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.141 9.683 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.779 8.989 -0.173 1.00 0.00 H new ATOM 388 N TRP A 29 0.459 7.257 3.279 1.00 0.00 N ATOM 389 CA TRP A 29 0.986 6.782 4.553 1.00 0.00 C ATOM 390 C TRP A 29 2.010 7.760 5.118 1.00 0.00 C ATOM 391 O TRP A 29 2.343 8.760 4.482 1.00 0.00 O ATOM 392 CB TRP A 29 1.622 5.401 4.383 1.00 0.00 C ATOM 393 CG TRP A 29 2.742 5.383 3.387 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.056 5.667 3.627 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.646 5.065 1.995 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.783 5.545 2.467 1.00 0.00 N ATOM 397 CE2 TRP A 29 3.941 5.176 1.452 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.593 4.695 1.154 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.208 4.931 0.107 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.859 4.454 -0.180 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.158 4.572 -0.693 1.00 0.00 C ATOM 0 H TRP A 29 1.109 7.831 2.741 1.00 0.00 H new ATOM 0 HA TRP A 29 0.156 6.708 5.255 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.997 5.060 5.348 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.856 4.692 4.071 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.464 5.946 4.587 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.787 5.704 2.377 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.589 4.599 1.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.208 5.021 -0.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.052 4.170 -0.839 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.333 4.376 -1.740 1.00 0.00 H new ATOM 412 N ALA A 30 2.505 7.466 6.316 1.00 0.00 N ATOM 413 CA ALA A 30 3.493 8.320 6.965 1.00 0.00 C ATOM 414 C ALA A 30 4.602 7.489 7.602 1.00 0.00 C ATOM 415 O ALA A 30 4.334 6.529 8.324 1.00 0.00 O ATOM 416 CB ALA A 30 2.824 9.201 8.009 1.00 0.00 C ATOM 0 H ALA A 30 2.238 6.643 6.857 1.00 0.00 H new ATOM 0 HA ALA A 30 3.944 8.957 6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.573 9.833 8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.073 9.828 7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.346 8.574 8.762 1.00 0.00 H new ATOM 422 N ASP A 31 5.846 7.865 7.329 1.00 0.00 N ATOM 423 CA ASP A 31 6.997 7.155 7.876 1.00 0.00 C ATOM 424 C ASP A 31 7.557 7.884 9.092 1.00 0.00 C ATOM 425 O ASP A 31 7.695 9.107 9.086 1.00 0.00 O ATOM 426 CB ASP A 31 8.084 7.004 6.810 1.00 0.00 C ATOM 427 CG ASP A 31 9.109 5.949 7.175 1.00 0.00 C ATOM 428 OD1 ASP A 31 8.713 4.783 7.387 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.309 6.288 7.248 1.00 0.00 O ATOM 0 H ASP A 31 6.084 8.657 6.732 1.00 0.00 H new ATOM 0 HA ASP A 31 6.667 6.165 8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.622 6.743 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.586 7.961 6.669 1.00 0.00 H new ATOM 434 N ASN A 32 7.878 7.125 10.135 1.00 0.00 N ATOM 435 CA ASN A 32 8.422 7.700 11.360 1.00 0.00 C ATOM 436 C ASN A 32 9.947 7.675 11.342 1.00 0.00 C ATOM 437 O ASN A 32 10.599 8.583 11.858 1.00 0.00 O ATOM 438 CB ASN A 32 7.903 6.937 12.581 1.00 0.00 C ATOM 439 CG ASN A 32 6.474 6.462 12.401 1.00 0.00 C ATOM 440 OD1 ASN A 32 6.161 5.745 11.450 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.599 6.860 13.317 1.00 0.00 N ATOM 0 H ASN A 32 7.771 6.111 10.156 1.00 0.00 H new ATOM 0 HA ASN A 32 8.094 8.738 11.422 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.547 6.078 12.770 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.962 7.580 13.460 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.623 6.572 13.249 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.903 7.454 14.088 1.00 0.00 H new ATOM 448 N SER A 33 10.510 6.631 10.743 1.00 0.00 N ATOM 449 CA SER A 33 11.958 6.486 10.660 1.00 0.00 C ATOM 450 C SER A 33 12.618 7.817 10.314 1.00 0.00 C ATOM 451 O SER A 33 13.572 8.240 10.969 1.00 0.00 O ATOM 452 CB SER A 33 12.328 5.433 9.613 1.00 0.00 C ATOM 453 OG SER A 33 13.714 5.142 9.649 1.00 0.00 O ATOM 0 H SER A 33 9.985 5.873 10.308 1.00 0.00 H new ATOM 0 HA SER A 33 12.322 6.162 11.635 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.757 4.522 9.792 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.054 5.791 8.620 1.00 0.00 H new ATOM 0 HG SER A 33 13.924 4.466 8.972 1.00 0.00 H new ATOM 459 N LEU A 34 12.104 8.474 9.280 1.00 0.00 N ATOM 460 CA LEU A 34 12.643 9.758 8.845 1.00 0.00 C ATOM 461 C LEU A 34 12.776 10.719 10.022 1.00 0.00 C ATOM 462 O LEU A 34 12.061 10.621 11.019 1.00 0.00 O ATOM 463 CB LEU A 34 11.744 10.372 7.770 1.00 0.00 C ATOM 464 CG LEU A 34 11.753 9.674 6.409 1.00 0.00 C ATOM 465 CD1 LEU A 34 10.651 10.227 5.518 1.00 0.00 C ATOM 466 CD2 LEU A 34 13.111 9.828 5.739 1.00 0.00 C ATOM 0 H LEU A 34 11.315 8.139 8.727 1.00 0.00 H new ATOM 0 HA LEU A 34 13.635 9.586 8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.720 10.383 8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.042 11.411 7.625 1.00 0.00 H new ATOM 0 HG LEU A 34 11.566 8.612 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.673 9.719 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.683 10.064 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.806 11.295 5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.099 9.325 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.328 10.886 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.880 9.383 6.370 1.00 0.00 H new ATOM 478 N PRO A 35 13.712 11.672 9.904 1.00 0.00 N ATOM 479 CA PRO A 35 13.960 12.672 10.947 1.00 0.00 C ATOM 480 C PRO A 35 12.816 13.673 11.074 1.00 0.00 C ATOM 481 O PRO A 35 11.723 13.452 10.553 1.00 0.00 O ATOM 482 CB PRO A 35 15.234 13.373 10.471 1.00 0.00 C ATOM 483 CG PRO A 35 15.240 13.186 8.994 1.00 0.00 C ATOM 484 CD PRO A 35 14.601 11.849 8.743 1.00 0.00 C ATOM 0 HA PRO A 35 14.051 12.218 11.934 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.227 14.430 10.736 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.121 12.936 10.929 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.686 13.983 8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.257 13.212 8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.045 11.839 7.806 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.344 11.054 8.681 1.00 0.00 H new ATOM 492 N LYS A 36 13.075 14.775 11.770 1.00 0.00 N ATOM 493 CA LYS A 36 12.069 15.812 11.964 1.00 0.00 C ATOM 494 C LYS A 36 11.396 16.172 10.643 1.00 0.00 C ATOM 495 O LYS A 36 10.169 16.229 10.555 1.00 0.00 O ATOM 496 CB LYS A 36 12.705 17.060 12.581 1.00 0.00 C ATOM 497 CG LYS A 36 11.705 18.157 12.903 1.00 0.00 C ATOM 498 CD LYS A 36 12.383 19.365 13.526 1.00 0.00 C ATOM 499 CE LYS A 36 12.612 19.168 15.017 1.00 0.00 C ATOM 500 NZ LYS A 36 11.329 19.117 15.772 1.00 0.00 N ATOM 0 H LYS A 36 13.974 14.973 12.209 1.00 0.00 H new ATOM 0 HA LYS A 36 11.311 15.424 12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.228 16.777 13.495 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.454 17.453 11.894 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.188 18.458 11.992 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.948 17.771 13.586 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.337 19.544 13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.769 20.251 13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.167 18.244 15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.227 19.982 15.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.503 19.355 16.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.659 19.801 15.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.927 18.160 15.710 1.00 0.00 H new ATOM 514 N HIS A 37 12.207 16.411 9.617 1.00 0.00 N ATOM 515 CA HIS A 37 11.689 16.763 8.300 1.00 0.00 C ATOM 516 C HIS A 37 11.079 15.545 7.613 1.00 0.00 C ATOM 517 O HIS A 37 11.450 14.408 7.902 1.00 0.00 O ATOM 518 CB HIS A 37 12.803 17.348 7.431 1.00 0.00 C ATOM 519 CG HIS A 37 13.826 16.340 7.008 1.00 0.00 C ATOM 520 ND1 HIS A 37 13.595 15.400 6.026 1.00 0.00 N ATOM 521 CD2 HIS A 37 15.091 16.128 7.439 1.00 0.00 C ATOM 522 CE1 HIS A 37 14.674 14.652 5.873 1.00 0.00 C ATOM 523 NE2 HIS A 37 15.596 15.074 6.718 1.00 0.00 N ATOM 0 H HIS A 37 13.225 16.367 9.672 1.00 0.00 H new ATOM 0 HA HIS A 37 10.909 17.513 8.432 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.360 17.799 6.543 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.299 18.148 7.981 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.607 16.684 8.207 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.783 13.835 5.175 1.00 0.00 H new ATOM 0 HE2 HIS A 37 16.532 14.681 6.819 1.00 0.00 H new ATOM 532 N GLN A 38 10.141 15.793 6.704 1.00 0.00 N ATOM 533 CA GLN A 38 9.479 14.715 5.978 1.00 0.00 C ATOM 534 C GLN A 38 10.282 14.316 4.745 1.00 0.00 C ATOM 535 O GLN A 38 10.363 13.137 4.398 1.00 0.00 O ATOM 536 CB GLN A 38 8.068 15.141 5.566 1.00 0.00 C ATOM 537 CG GLN A 38 7.108 13.976 5.389 1.00 0.00 C ATOM 538 CD GLN A 38 7.152 13.002 6.550 1.00 0.00 C ATOM 539 OE1 GLN A 38 8.061 12.036 6.478 1.00 0.00 O flip ATOM 540 NE2 GLN A 38 6.378 13.115 7.500 1.00 0.00 N flip ATOM 0 H GLN A 38 9.823 16.729 6.453 1.00 0.00 H new ATOM 0 HA GLN A 38 9.412 13.852 6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.668 15.819 6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.124 15.700 4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.094 14.359 5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.350 13.448 4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.695 13.873 7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.419 12.451 8.273 1.00 0.00 H new ATOM 549 N LYS A 39 10.875 15.305 4.085 1.00 0.00 N ATOM 550 CA LYS A 39 11.673 15.058 2.890 1.00 0.00 C ATOM 551 C LYS A 39 12.430 13.739 3.004 1.00 0.00 C ATOM 552 O LYS A 39 12.892 13.369 4.084 1.00 0.00 O ATOM 553 CB LYS A 39 12.660 16.206 2.665 1.00 0.00 C ATOM 554 CG LYS A 39 11.989 17.552 2.452 1.00 0.00 C ATOM 555 CD LYS A 39 11.392 17.663 1.059 1.00 0.00 C ATOM 556 CE LYS A 39 12.406 18.196 0.059 1.00 0.00 C ATOM 557 NZ LYS A 39 12.544 19.676 0.143 1.00 0.00 N ATOM 0 H LYS A 39 10.818 16.286 4.358 1.00 0.00 H new ATOM 0 HA LYS A 39 10.996 14.996 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.327 16.274 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.279 15.977 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.205 17.691 3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.716 18.350 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.039 16.684 0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.524 18.322 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.375 17.730 0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.102 17.916 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.244 20.000 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.626 20.122 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.859 19.942 1.098 1.00 0.00 H new ATOM 571 N ILE A 40 12.553 13.034 1.885 1.00 0.00 N ATOM 572 CA ILE A 40 13.256 11.757 1.860 1.00 0.00 C ATOM 573 C ILE A 40 14.717 11.942 1.464 1.00 0.00 C ATOM 574 O ILE A 40 15.085 11.762 0.303 1.00 0.00 O ATOM 575 CB ILE A 40 12.592 10.768 0.884 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.166 10.450 1.337 1.00 0.00 C ATOM 577 CG2 ILE A 40 13.417 9.494 0.778 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.474 9.418 0.474 1.00 0.00 C ATOM 0 H ILE A 40 12.175 13.325 0.983 1.00 0.00 H new ATOM 0 HA ILE A 40 13.205 11.348 2.869 1.00 0.00 H new ATOM 0 HB ILE A 40 12.545 11.230 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.192 10.093 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.579 11.368 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.935 8.805 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.415 9.736 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.493 9.027 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.468 9.242 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.416 9.781 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.039 8.486 0.498 1.00 0.00 H new ATOM 590 N THR A 41 15.548 12.300 2.438 1.00 0.00 N ATOM 591 CA THR A 41 16.969 12.508 2.193 1.00 0.00 C ATOM 592 C THR A 41 17.735 11.191 2.247 1.00 0.00 C ATOM 593 O THR A 41 18.851 11.131 2.765 1.00 0.00 O ATOM 594 CB THR A 41 17.579 13.485 3.215 1.00 0.00 C ATOM 595 OG1 THR A 41 17.417 12.971 4.541 1.00 0.00 O ATOM 596 CG2 THR A 41 16.923 14.854 3.112 1.00 0.00 C ATOM 0 H THR A 41 15.260 12.452 3.405 1.00 0.00 H new ATOM 0 HA THR A 41 17.057 12.936 1.195 1.00 0.00 H new ATOM 0 HB THR A 41 18.641 13.591 2.995 1.00 0.00 H new ATOM 0 HG1 THR A 41 17.809 13.597 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.370 15.528 3.843 1.00 0.00 H new ATOM 0 HG22 THR A 41 17.074 15.255 2.110 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.855 14.761 3.309 1.00 0.00 H new ATOM 604 N ASP A 42 17.130 10.137 1.710 1.00 0.00 N ATOM 605 CA ASP A 42 17.757 8.821 1.695 1.00 0.00 C ATOM 606 C ASP A 42 17.497 8.109 0.371 1.00 0.00 C ATOM 607 O ASP A 42 16.714 8.579 -0.454 1.00 0.00 O ATOM 608 CB ASP A 42 17.235 7.971 2.855 1.00 0.00 C ATOM 609 CG ASP A 42 15.723 7.859 2.855 1.00 0.00 C ATOM 610 OD1 ASP A 42 15.170 7.292 1.890 1.00 0.00 O ATOM 611 OD2 ASP A 42 15.092 8.338 3.821 1.00 0.00 O ATOM 0 H ASP A 42 16.206 10.169 1.279 1.00 0.00 H new ATOM 0 HA ASP A 42 18.832 8.958 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.670 6.974 2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.564 8.407 3.798 1.00 0.00 H new ATOM 616 N SER A 43 18.162 6.975 0.174 1.00 0.00 N ATOM 617 CA SER A 43 18.007 6.202 -1.053 1.00 0.00 C ATOM 618 C SER A 43 17.276 4.891 -0.779 1.00 0.00 C ATOM 619 O SER A 43 17.900 3.845 -0.597 1.00 0.00 O ATOM 620 CB SER A 43 19.374 5.916 -1.676 1.00 0.00 C ATOM 621 OG SER A 43 19.929 7.088 -2.248 1.00 0.00 O ATOM 0 H SER A 43 18.813 6.571 0.848 1.00 0.00 H new ATOM 0 HA SER A 43 17.413 6.790 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.049 5.524 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.275 5.146 -2.441 1.00 0.00 H new ATOM 0 HG SER A 43 20.803 6.879 -2.638 1.00 0.00 H new ATOM 627 N ARG A 44 15.948 4.955 -0.753 1.00 0.00 N ATOM 628 CA ARG A 44 15.131 3.774 -0.501 1.00 0.00 C ATOM 629 C ARG A 44 13.992 3.675 -1.512 1.00 0.00 C ATOM 630 O ARG A 44 13.786 4.581 -2.320 1.00 0.00 O ATOM 631 CB ARG A 44 14.565 3.814 0.920 1.00 0.00 C ATOM 632 CG ARG A 44 13.553 4.926 1.141 1.00 0.00 C ATOM 633 CD ARG A 44 13.277 5.141 2.621 1.00 0.00 C ATOM 634 NE ARG A 44 12.506 6.358 2.863 1.00 0.00 N ATOM 635 CZ ARG A 44 11.754 6.550 3.941 1.00 0.00 C ATOM 636 NH1 ARG A 44 11.674 5.610 4.873 1.00 0.00 N ATOM 637 NH2 ARG A 44 11.082 7.684 4.089 1.00 0.00 N ATOM 0 H ARG A 44 15.416 5.812 -0.903 1.00 0.00 H new ATOM 0 HA ARG A 44 15.765 2.894 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.094 2.856 1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.386 3.936 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.925 5.851 0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.623 4.681 0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.734 4.283 3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.222 5.197 3.162 1.00 0.00 H new ATOM 0 HE ARG A 44 12.547 7.101 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.191 4.737 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.096 5.760 5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.142 8.410 3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.505 7.830 4.917 1.00 0.00 H new ATOM 651 N TYR A 45 13.257 2.570 -1.460 1.00 0.00 N ATOM 652 CA TYR A 45 12.141 2.352 -2.373 1.00 0.00 C ATOM 653 C TYR A 45 10.973 1.684 -1.654 1.00 0.00 C ATOM 654 O TYR A 45 11.163 0.766 -0.856 1.00 0.00 O ATOM 655 CB TYR A 45 12.585 1.492 -3.557 1.00 0.00 C ATOM 656 CG TYR A 45 12.707 0.021 -3.226 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.766 -0.453 -2.463 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.763 -0.893 -3.677 1.00 0.00 C ATOM 659 CE1 TYR A 45 13.882 -1.796 -2.158 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.870 -2.237 -3.376 1.00 0.00 C ATOM 661 CZ TYR A 45 12.931 -2.684 -2.617 1.00 0.00 C ATOM 662 OH TYR A 45 13.042 -4.022 -2.316 1.00 0.00 O ATOM 0 H TYR A 45 13.414 1.812 -0.796 1.00 0.00 H new ATOM 0 HA TYR A 45 11.810 3.323 -2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.871 1.614 -4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.547 1.855 -3.919 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.512 0.240 -2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.931 -0.547 -4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.712 -2.148 -1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.126 -2.934 -3.733 1.00 0.00 H new ATOM 0 HH TYR A 45 12.291 -4.510 -2.714 1.00 0.00 H new ATOM 672 N TYR A 46 9.764 2.151 -1.944 1.00 0.00 N ATOM 673 CA TYR A 46 8.563 1.602 -1.326 1.00 0.00 C ATOM 674 C TYR A 46 7.929 0.538 -2.217 1.00 0.00 C ATOM 675 O TYR A 46 8.168 0.499 -3.425 1.00 0.00 O ATOM 676 CB TYR A 46 7.553 2.715 -1.044 1.00 0.00 C ATOM 677 CG TYR A 46 7.762 3.400 0.288 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.610 2.702 1.480 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.110 4.743 0.354 1.00 0.00 C ATOM 680 CE1 TYR A 46 7.799 3.323 2.700 1.00 0.00 C ATOM 681 CE2 TYR A 46 8.303 5.372 1.569 1.00 0.00 C ATOM 682 CZ TYR A 46 8.146 4.658 2.739 1.00 0.00 C ATOM 683 OH TYR A 46 8.335 5.281 3.951 1.00 0.00 O ATOM 0 H TYR A 46 9.590 2.909 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 46 8.852 1.136 -0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.613 3.459 -1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.547 2.297 -1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.340 1.657 1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.232 5.305 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.676 2.767 3.618 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.575 6.417 1.603 1.00 0.00 H new ATOM 0 HH TYR A 46 8.576 6.219 3.802 1.00 0.00 H new ATOM 693 N THR A 47 7.117 -0.324 -1.613 1.00 0.00 N ATOM 694 CA THR A 47 6.448 -1.389 -2.350 1.00 0.00 C ATOM 695 C THR A 47 5.002 -1.547 -1.894 1.00 0.00 C ATOM 696 O THR A 47 4.737 -2.007 -0.783 1.00 0.00 O ATOM 697 CB THR A 47 7.178 -2.734 -2.180 1.00 0.00 C ATOM 698 OG1 THR A 47 8.583 -2.560 -2.399 1.00 0.00 O ATOM 699 CG2 THR A 47 6.633 -3.772 -3.150 1.00 0.00 C ATOM 0 H THR A 47 6.907 -0.305 -0.615 1.00 0.00 H new ATOM 0 HA THR A 47 6.466 -1.105 -3.402 1.00 0.00 H new ATOM 0 HB THR A 47 7.010 -3.087 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.040 -3.420 -2.288 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.164 -4.714 -3.011 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.570 -3.923 -2.962 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.774 -3.423 -4.173 1.00 0.00 H new ATOM 707 N VAL A 48 4.068 -1.165 -2.760 1.00 0.00 N ATOM 708 CA VAL A 48 2.648 -1.267 -2.447 1.00 0.00 C ATOM 709 C VAL A 48 2.043 -2.533 -3.043 1.00 0.00 C ATOM 710 O VAL A 48 2.046 -2.721 -4.260 1.00 0.00 O ATOM 711 CB VAL A 48 1.869 -0.044 -2.969 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.385 -0.190 -2.672 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.420 1.237 -2.360 1.00 0.00 C ATOM 0 H VAL A 48 4.270 -0.782 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 48 2.565 -1.305 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 48 1.995 0.011 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.149 0.683 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.003 -1.087 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.236 -0.271 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.859 2.091 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.326 1.194 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.471 1.345 -2.629 1.00 0.00 H new ATOM 723 N ARG A 49 1.525 -3.399 -2.178 1.00 0.00 N ATOM 724 CA ARG A 49 0.917 -4.648 -2.619 1.00 0.00 C ATOM 725 C ARG A 49 -0.602 -4.588 -2.492 1.00 0.00 C ATOM 726 O ARG A 49 -1.142 -3.745 -1.776 1.00 0.00 O ATOM 727 CB ARG A 49 1.462 -5.821 -1.802 1.00 0.00 C ATOM 728 CG ARG A 49 0.919 -5.880 -0.383 1.00 0.00 C ATOM 729 CD ARG A 49 0.986 -7.290 0.182 1.00 0.00 C ATOM 730 NE ARG A 49 0.829 -7.306 1.633 1.00 0.00 N ATOM 731 CZ ARG A 49 -0.332 -7.111 2.249 1.00 0.00 C ATOM 732 NH1 ARG A 49 -1.431 -6.886 1.543 1.00 0.00 N ATOM 733 NH2 ARG A 49 -0.395 -7.141 3.574 1.00 0.00 N ATOM 0 H ARG A 49 1.514 -3.258 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 49 1.171 -4.796 -3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.220 -6.753 -2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.549 -5.752 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.489 -5.204 0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.114 -5.532 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.206 -7.900 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.941 -7.742 -0.084 1.00 0.00 H new ATOM 0 HE ARG A 49 1.656 -7.476 2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.387 -6.862 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.321 -6.737 2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.448 -7.314 4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.287 -6.991 4.046 1.00 0.00 H new ATOM 747 N TRP A 50 -1.285 -5.487 -3.191 1.00 0.00 N ATOM 748 CA TRP A 50 -2.742 -5.536 -3.157 1.00 0.00 C ATOM 749 C TRP A 50 -3.259 -6.825 -3.785 1.00 0.00 C ATOM 750 O TRP A 50 -2.646 -7.369 -4.704 1.00 0.00 O ATOM 751 CB TRP A 50 -3.331 -4.327 -3.887 1.00 0.00 C ATOM 752 CG TRP A 50 -3.046 -4.325 -5.358 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.801 -4.900 -6.340 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.925 -3.720 -6.013 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.218 -4.689 -7.566 1.00 0.00 N ATOM 756 CE2 TRP A 50 -2.066 -3.968 -7.393 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.818 -2.993 -5.569 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -1.141 -3.514 -8.329 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.100 -2.543 -6.499 1.00 0.00 C ATOM 760 CH2 TRP A 50 -0.066 -2.804 -7.866 1.00 0.00 C ATOM 0 H TRP A 50 -0.853 -6.192 -3.788 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.057 -5.511 -2.114 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.410 -4.309 -3.733 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.931 -3.414 -3.445 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.721 -5.441 -6.177 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.584 -5.016 -8.460 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.682 -2.786 -4.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.267 -3.715 -9.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.960 -1.981 -6.167 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.669 -2.438 -8.568 1.00 0.00 H new ATOM 771 N LYS A 51 -4.390 -7.310 -3.285 1.00 0.00 N ATOM 772 CA LYS A 51 -4.991 -8.536 -3.798 1.00 0.00 C ATOM 773 C LYS A 51 -6.507 -8.396 -3.902 1.00 0.00 C ATOM 774 O LYS A 51 -7.069 -7.350 -3.578 1.00 0.00 O ATOM 775 CB LYS A 51 -4.638 -9.719 -2.894 1.00 0.00 C ATOM 776 CG LYS A 51 -5.310 -9.666 -1.534 1.00 0.00 C ATOM 777 CD LYS A 51 -5.530 -11.059 -0.966 1.00 0.00 C ATOM 778 CE LYS A 51 -6.753 -11.106 -0.063 1.00 0.00 C ATOM 779 NZ LYS A 51 -8.020 -11.102 -0.845 1.00 0.00 N ATOM 0 H LYS A 51 -4.910 -6.873 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.591 -8.718 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.921 -10.645 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.557 -9.750 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.696 -9.084 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.267 -9.152 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.652 -11.771 -1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.649 -11.367 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.712 -12.001 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.740 -10.250 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.744 -11.649 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.349 -10.123 -0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.854 -11.531 -1.778 1.00 0.00 H new ATOM 793 N THR A 52 -7.164 -9.459 -4.355 1.00 0.00 N ATOM 794 CA THR A 52 -8.614 -9.456 -4.501 1.00 0.00 C ATOM 795 C THR A 52 -9.257 -10.529 -3.630 1.00 0.00 C ATOM 796 O THR A 52 -8.761 -11.651 -3.543 1.00 0.00 O ATOM 797 CB THR A 52 -9.032 -9.682 -5.967 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.364 -10.834 -6.494 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.703 -8.465 -6.817 1.00 0.00 C ATOM 0 H THR A 52 -6.715 -10.333 -4.627 1.00 0.00 H new ATOM 0 HA THR A 52 -8.962 -8.474 -4.179 1.00 0.00 H new ATOM 0 HB THR A 52 -10.110 -9.843 -5.994 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.636 -10.972 -7.425 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.007 -8.648 -7.848 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.236 -7.596 -6.430 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.630 -8.277 -6.783 1.00 0.00 H new ATOM 807 N ASN A 53 -10.366 -10.176 -2.987 1.00 0.00 N ATOM 808 CA ASN A 53 -11.077 -11.110 -2.122 1.00 0.00 C ATOM 809 C ASN A 53 -11.602 -12.300 -2.920 1.00 0.00 C ATOM 810 O ASN A 53 -11.731 -13.405 -2.393 1.00 0.00 O ATOM 811 CB ASN A 53 -12.237 -10.403 -1.417 1.00 0.00 C ATOM 812 CG ASN A 53 -13.048 -11.346 -0.550 1.00 0.00 C ATOM 813 OD1 ASN A 53 -12.367 -12.274 0.113 1.00 0.00 O flip ATOM 814 ND2 ASN A 53 -14.272 -11.242 -0.476 1.00 0.00 N flip ATOM 0 H ASN A 53 -10.791 -9.251 -3.049 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.376 -11.478 -1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.845 -9.594 -0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.889 -9.948 -2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.755 -10.514 -1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.804 -11.884 0.112 1.00 0.00 H new ATOM 821 N ILE A 54 -11.902 -12.065 -4.193 1.00 0.00 N ATOM 822 CA ILE A 54 -12.411 -13.117 -5.064 1.00 0.00 C ATOM 823 C ILE A 54 -11.591 -13.213 -6.346 1.00 0.00 C ATOM 824 O ILE A 54 -11.326 -12.217 -7.020 1.00 0.00 O ATOM 825 CB ILE A 54 -13.888 -12.880 -5.430 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.722 -12.669 -4.164 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.428 -14.050 -6.238 1.00 0.00 C ATOM 828 CD1 ILE A 54 -15.001 -13.947 -3.405 1.00 0.00 C ATOM 0 H ILE A 54 -11.801 -11.156 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.328 -14.052 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.956 -11.980 -6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.201 -11.972 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.669 -12.203 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.473 -13.867 -6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.848 -14.158 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.350 -14.965 -5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -15.596 -13.722 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.549 -14.638 -4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -14.059 -14.403 -3.102 1.00 0.00 H new ATOM 840 N PRO A 55 -11.179 -14.441 -6.694 1.00 0.00 N ATOM 841 CA PRO A 55 -11.488 -15.634 -5.900 1.00 0.00 C ATOM 842 C PRO A 55 -10.741 -15.654 -4.570 1.00 0.00 C ATOM 843 O PRO A 55 -10.234 -14.629 -4.117 1.00 0.00 O ATOM 844 CB PRO A 55 -11.020 -16.786 -6.793 1.00 0.00 C ATOM 845 CG PRO A 55 -9.968 -16.188 -7.662 1.00 0.00 C ATOM 846 CD PRO A 55 -10.381 -14.760 -7.890 1.00 0.00 C ATOM 0 HA PRO A 55 -12.544 -15.685 -5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.623 -17.610 -6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.842 -17.187 -7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.990 -16.240 -7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.889 -16.727 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.517 -14.102 -7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.965 -14.652 -8.804 1.00 0.00 H new ATOM 854 N ALA A 56 -10.677 -16.828 -3.950 1.00 0.00 N ATOM 855 CA ALA A 56 -9.990 -16.981 -2.674 1.00 0.00 C ATOM 856 C ALA A 56 -8.603 -16.350 -2.718 1.00 0.00 C ATOM 857 O ALA A 56 -8.195 -15.796 -3.737 1.00 0.00 O ATOM 858 CB ALA A 56 -9.891 -18.453 -2.302 1.00 0.00 C ATOM 0 H ALA A 56 -11.093 -17.687 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.572 -16.463 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.376 -18.553 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.892 -18.876 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.334 -18.986 -3.072 1.00 0.00 H new ATOM 864 N ASN A 57 -7.882 -16.438 -1.604 1.00 0.00 N ATOM 865 CA ASN A 57 -6.540 -15.874 -1.516 1.00 0.00 C ATOM 866 C ASN A 57 -5.845 -15.908 -2.873 1.00 0.00 C ATOM 867 O ASN A 57 -5.250 -16.917 -3.254 1.00 0.00 O ATOM 868 CB ASN A 57 -5.709 -16.640 -0.485 1.00 0.00 C ATOM 869 CG ASN A 57 -6.395 -16.723 0.865 1.00 0.00 C ATOM 870 OD1 ASN A 57 -6.784 -17.802 1.311 1.00 0.00 O ATOM 871 ND2 ASN A 57 -6.547 -15.579 1.522 1.00 0.00 N ATOM 0 H ASN A 57 -8.205 -16.894 -0.751 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.630 -14.835 -1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.516 -17.647 -0.854 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.741 -16.153 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.002 -15.572 2.435 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.209 -14.708 1.114 1.00 0.00 H new ATOM 878 N THR A 58 -5.924 -14.798 -3.601 1.00 0.00 N ATOM 879 CA THR A 58 -5.304 -14.701 -4.916 1.00 0.00 C ATOM 880 C THR A 58 -3.880 -14.167 -4.814 1.00 0.00 C ATOM 881 O THR A 58 -3.534 -13.470 -3.860 1.00 0.00 O ATOM 882 CB THR A 58 -6.116 -13.789 -5.855 1.00 0.00 C ATOM 883 OG1 THR A 58 -7.509 -14.109 -5.764 1.00 0.00 O ATOM 884 CG2 THR A 58 -5.649 -13.940 -7.295 1.00 0.00 C ATOM 0 H THR A 58 -6.412 -13.954 -3.301 1.00 0.00 H new ATOM 0 HA THR A 58 -5.283 -15.709 -5.330 1.00 0.00 H new ATOM 0 HB THR A 58 -5.959 -12.755 -5.546 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.638 -14.825 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.237 -13.286 -7.939 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.596 -13.668 -7.366 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.779 -14.975 -7.613 1.00 0.00 H new ATOM 892 N LYS A 59 -3.057 -14.495 -5.804 1.00 0.00 N ATOM 893 CA LYS A 59 -1.670 -14.047 -5.828 1.00 0.00 C ATOM 894 C LYS A 59 -1.565 -12.581 -5.418 1.00 0.00 C ATOM 895 O LYS A 59 -2.463 -11.785 -5.691 1.00 0.00 O ATOM 896 CB LYS A 59 -1.073 -14.241 -7.224 1.00 0.00 C ATOM 897 CG LYS A 59 -1.548 -13.213 -8.237 1.00 0.00 C ATOM 898 CD LYS A 59 -0.485 -12.932 -9.285 1.00 0.00 C ATOM 899 CE LYS A 59 -0.695 -11.576 -9.942 1.00 0.00 C ATOM 900 NZ LYS A 59 -1.792 -11.611 -10.947 1.00 0.00 N ATOM 0 H LYS A 59 -3.327 -15.071 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.108 -14.648 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.014 -14.195 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.328 -15.238 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.455 -13.572 -8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.808 -12.287 -7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.501 -12.964 -8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.506 -13.713 -10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.926 -10.834 -9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.230 -11.259 -10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.904 -10.668 -11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.560 -12.301 -11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.680 -11.889 -10.482 1.00 0.00 H new ATOM 914 N TYR A 60 -0.463 -12.233 -4.763 1.00 0.00 N ATOM 915 CA TYR A 60 -0.241 -10.863 -4.315 1.00 0.00 C ATOM 916 C TYR A 60 0.598 -10.088 -5.326 1.00 0.00 C ATOM 917 O TYR A 60 1.548 -10.620 -5.901 1.00 0.00 O ATOM 918 CB TYR A 60 0.449 -10.856 -2.950 1.00 0.00 C ATOM 919 CG TYR A 60 -0.495 -11.089 -1.793 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.773 -12.374 -1.345 1.00 0.00 C ATOM 921 CD2 TYR A 60 -1.109 -10.023 -1.146 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.636 -12.592 -0.288 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.972 -10.231 -0.088 1.00 0.00 C ATOM 924 CZ TYR A 60 -2.233 -11.517 0.337 1.00 0.00 C ATOM 925 OH TYR A 60 -3.092 -11.729 1.391 1.00 0.00 O ATOM 0 H TYR A 60 0.290 -12.880 -4.530 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.212 -10.375 -4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.221 -11.625 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.951 -9.899 -2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.306 -13.218 -1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.908 -9.015 -1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.842 -13.598 0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.440 -9.391 0.404 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.682 -10.953 1.493 1.00 0.00 H new ATOM 935 N LYS A 61 0.241 -8.826 -5.539 1.00 0.00 N ATOM 936 CA LYS A 61 0.960 -7.974 -6.478 1.00 0.00 C ATOM 937 C LYS A 61 1.839 -6.970 -5.739 1.00 0.00 C ATOM 938 O LYS A 61 1.838 -6.917 -4.510 1.00 0.00 O ATOM 939 CB LYS A 61 -0.026 -7.234 -7.385 1.00 0.00 C ATOM 940 CG LYS A 61 -0.719 -8.135 -8.393 1.00 0.00 C ATOM 941 CD LYS A 61 -1.166 -7.359 -9.620 1.00 0.00 C ATOM 942 CE LYS A 61 -0.011 -7.118 -10.579 1.00 0.00 C ATOM 943 NZ LYS A 61 0.506 -8.390 -11.155 1.00 0.00 N ATOM 0 H LYS A 61 -0.543 -8.370 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 61 1.600 -8.610 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.780 -6.747 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.505 -6.446 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.042 -8.934 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.583 -8.608 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.956 -7.909 -10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.590 -6.403 -9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.339 -6.461 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.794 -6.603 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.992 -8.192 -12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.175 -8.826 -10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.287 -9.041 -11.326 1.00 0.00 H new ATOM 957 N ASN A 62 2.587 -6.175 -6.497 1.00 0.00 N ATOM 958 CA ASN A 62 3.470 -5.172 -5.914 1.00 0.00 C ATOM 959 C ASN A 62 3.697 -4.016 -6.884 1.00 0.00 C ATOM 960 O ASN A 62 3.467 -4.147 -8.086 1.00 0.00 O ATOM 961 CB ASN A 62 4.811 -5.803 -5.532 1.00 0.00 C ATOM 962 CG ASN A 62 5.359 -6.700 -6.624 1.00 0.00 C ATOM 963 OD1 ASN A 62 6.204 -6.285 -7.418 1.00 0.00 O ATOM 964 ND2 ASN A 62 4.881 -7.938 -6.668 1.00 0.00 N ATOM 0 H ASN A 62 2.599 -6.206 -7.516 1.00 0.00 H new ATOM 0 HA ASN A 62 2.991 -4.781 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.532 -5.015 -5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.689 -6.382 -4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.214 -8.588 -7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.181 -8.239 -5.990 1.00 0.00 H new ATOM 971 N ALA A 63 4.150 -2.886 -6.353 1.00 0.00 N ATOM 972 CA ALA A 63 4.411 -1.708 -7.171 1.00 0.00 C ATOM 973 C ALA A 63 5.772 -1.103 -6.845 1.00 0.00 C ATOM 974 O ALA A 63 6.491 -1.601 -5.980 1.00 0.00 O ATOM 975 CB ALA A 63 3.311 -0.675 -6.975 1.00 0.00 C ATOM 0 H ALA A 63 4.344 -2.761 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 63 4.422 -2.017 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.519 0.199 -7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.352 -1.105 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.273 -0.379 -5.927 1.00 0.00 H new ATOM 981 N ASN A 64 6.119 -0.027 -7.544 1.00 0.00 N ATOM 982 CA ASN A 64 7.396 0.644 -7.329 1.00 0.00 C ATOM 983 C ASN A 64 7.241 2.157 -7.450 1.00 0.00 C ATOM 984 O ASN A 64 7.017 2.684 -8.539 1.00 0.00 O ATOM 985 CB ASN A 64 8.435 0.145 -8.335 1.00 0.00 C ATOM 986 CG ASN A 64 7.848 -0.057 -9.719 1.00 0.00 C ATOM 987 OD1 ASN A 64 7.748 -1.312 -10.141 1.00 0.00 O flip ATOM 988 ND2 ASN A 64 7.490 0.904 -10.400 1.00 0.00 N flip ATOM 0 H ASN A 64 5.534 0.399 -8.263 1.00 0.00 H new ATOM 0 HA ASN A 64 7.736 0.410 -6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.255 0.861 -8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.857 -0.796 -7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.586 1.852 -10.035 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.098 0.753 -11.329 1.00 0.00 H new ATOM 995 N ALA A 65 7.363 2.851 -6.323 1.00 0.00 N ATOM 996 CA ALA A 65 7.239 4.303 -6.302 1.00 0.00 C ATOM 997 C ALA A 65 7.857 4.889 -5.037 1.00 0.00 C ATOM 998 O ALA A 65 7.385 4.636 -3.928 1.00 0.00 O ATOM 999 CB ALA A 65 5.778 4.710 -6.415 1.00 0.00 C ATOM 0 H ALA A 65 7.548 2.430 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 65 7.783 4.701 -7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.701 5.797 -6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.366 4.332 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.218 4.293 -5.578 1.00 0.00 H new ATOM 1005 N THR A 66 8.917 5.673 -5.209 1.00 0.00 N ATOM 1006 CA THR A 66 9.601 6.292 -4.081 1.00 0.00 C ATOM 1007 C THR A 66 8.900 7.576 -3.651 1.00 0.00 C ATOM 1008 O THR A 66 9.128 8.643 -4.223 1.00 0.00 O ATOM 1009 CB THR A 66 11.069 6.612 -4.420 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.130 7.663 -5.391 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.781 5.379 -4.955 1.00 0.00 C ATOM 0 H THR A 66 9.320 5.894 -6.119 1.00 0.00 H new ATOM 0 HA THR A 66 9.573 5.573 -3.262 1.00 0.00 H new ATOM 0 HB THR A 66 11.568 6.933 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.631 8.440 -5.064 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.816 5.629 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.758 4.591 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.280 5.033 -5.859 1.00 0.00 H new ATOM 1019 N THR A 67 8.044 7.467 -2.640 1.00 0.00 N ATOM 1020 CA THR A 67 7.309 8.619 -2.133 1.00 0.00 C ATOM 1021 C THR A 67 6.479 8.248 -0.910 1.00 0.00 C ATOM 1022 O THR A 67 6.378 7.075 -0.548 1.00 0.00 O ATOM 1023 CB THR A 67 6.379 9.210 -3.210 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.360 10.006 -2.595 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.738 8.106 -4.036 1.00 0.00 C ATOM 0 H THR A 67 7.843 6.592 -2.156 1.00 0.00 H new ATOM 0 HA THR A 67 8.050 9.367 -1.852 1.00 0.00 H new ATOM 0 HB THR A 67 6.978 9.836 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.774 10.379 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.086 8.547 -4.790 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.516 7.521 -4.527 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.152 7.457 -3.384 1.00 0.00 H new ATOM 1033 N LEU A 68 5.885 9.253 -0.276 1.00 0.00 N ATOM 1034 CA LEU A 68 5.062 9.031 0.908 1.00 0.00 C ATOM 1035 C LEU A 68 3.584 8.951 0.536 1.00 0.00 C ATOM 1036 O LEU A 68 2.710 9.103 1.389 1.00 0.00 O ATOM 1037 CB LEU A 68 5.283 10.153 1.924 1.00 0.00 C ATOM 1038 CG LEU A 68 6.536 10.033 2.793 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.972 11.402 3.292 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.287 9.092 3.962 1.00 0.00 C ATOM 0 H LEU A 68 5.958 10.229 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 68 5.358 8.081 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.327 11.100 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.413 10.199 2.579 1.00 0.00 H new ATOM 0 HG LEU A 68 7.339 9.618 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.865 11.297 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.192 12.046 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.172 11.845 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.189 9.019 4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.470 9.477 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.023 8.104 3.584 1.00 0.00 H new ATOM 1052 N SER A 69 3.313 8.708 -0.742 1.00 0.00 N ATOM 1053 CA SER A 69 1.942 8.608 -1.227 1.00 0.00 C ATOM 1054 C SER A 69 1.897 7.935 -2.596 1.00 0.00 C ATOM 1055 O SER A 69 2.569 8.364 -3.533 1.00 0.00 O ATOM 1056 CB SER A 69 1.305 9.997 -1.308 1.00 0.00 C ATOM 1057 OG SER A 69 2.171 10.919 -1.947 1.00 0.00 O ATOM 0 H SER A 69 4.025 8.577 -1.460 1.00 0.00 H new ATOM 0 HA SER A 69 1.377 7.997 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.364 9.938 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.068 10.351 -0.305 1.00 0.00 H new ATOM 0 HG SER A 69 2.534 10.516 -2.763 1.00 0.00 H new ATOM 1063 N TYR A 70 1.100 6.878 -2.702 1.00 0.00 N ATOM 1064 CA TYR A 70 0.968 6.143 -3.954 1.00 0.00 C ATOM 1065 C TYR A 70 -0.500 5.973 -4.335 1.00 0.00 C ATOM 1066 O TYR A 70 -1.378 5.946 -3.472 1.00 0.00 O ATOM 1067 CB TYR A 70 1.638 4.773 -3.839 1.00 0.00 C ATOM 1068 CG TYR A 70 1.609 3.974 -5.122 1.00 0.00 C ATOM 1069 CD1 TYR A 70 2.210 4.458 -6.278 1.00 0.00 C ATOM 1070 CD2 TYR A 70 0.982 2.736 -5.179 1.00 0.00 C ATOM 1071 CE1 TYR A 70 2.186 3.732 -7.453 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.953 2.002 -6.350 1.00 0.00 C ATOM 1073 CZ TYR A 70 1.556 2.505 -7.484 1.00 0.00 C ATOM 1074 OH TYR A 70 1.531 1.778 -8.652 1.00 0.00 O ATOM 0 H TYR A 70 0.535 6.511 -1.936 1.00 0.00 H new ATOM 0 HA TYR A 70 1.463 6.718 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.674 4.910 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.144 4.201 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.704 5.418 -6.257 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.509 2.340 -4.293 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.658 4.123 -8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.461 1.041 -6.377 1.00 0.00 H new ATOM 0 HH TYR A 70 1.049 0.937 -8.504 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.758 5.860 -5.633 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.119 5.692 -6.130 1.00 0.00 C ATOM 1086 C LEU A 71 -2.268 4.368 -6.873 1.00 0.00 C ATOM 1087 O LEU A 71 -1.664 4.164 -7.926 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.492 6.853 -7.054 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.983 7.025 -7.346 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.309 8.486 -7.615 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.400 6.158 -8.525 1.00 0.00 C ATOM 0 H LEU A 71 -0.043 5.882 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.794 5.685 -5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.120 7.777 -6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.970 6.720 -8.001 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.544 6.704 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.374 8.589 -7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.049 9.084 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.738 8.834 -8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.464 6.294 -8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.831 6.447 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.204 5.111 -8.294 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.078 3.472 -6.318 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.309 2.169 -6.929 1.00 0.00 C ATOM 1105 C VAL A 72 -4.316 2.267 -8.070 1.00 0.00 C ATOM 1106 O VAL A 72 -5.374 2.881 -7.928 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.820 1.147 -5.896 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.973 -0.226 -6.533 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.883 1.087 -4.699 1.00 0.00 C ATOM 0 H VAL A 72 -3.585 3.625 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.350 1.830 -7.322 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.801 1.469 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.335 -0.935 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.686 -0.168 -7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.008 -0.560 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.259 0.360 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.888 0.789 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.830 2.069 -4.229 1.00 0.00 H new ATOM 1119 N THR A 73 -3.980 1.658 -9.203 1.00 0.00 N ATOM 1120 CA THR A 73 -4.854 1.678 -10.369 1.00 0.00 C ATOM 1121 C THR A 73 -5.103 0.268 -10.893 1.00 0.00 C ATOM 1122 O THR A 73 -4.476 -0.691 -10.446 1.00 0.00 O ATOM 1123 CB THR A 73 -4.260 2.536 -11.502 1.00 0.00 C ATOM 1124 OG1 THR A 73 -2.906 2.146 -11.753 1.00 0.00 O ATOM 1125 CG2 THR A 73 -4.309 4.014 -11.143 1.00 0.00 C ATOM 0 H THR A 73 -3.109 1.145 -9.338 1.00 0.00 H new ATOM 0 HA THR A 73 -5.799 2.117 -10.048 1.00 0.00 H new ATOM 0 HB THR A 73 -4.856 2.376 -12.400 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.536 2.695 -12.476 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.884 4.601 -11.958 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.344 4.315 -10.980 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.734 4.187 -10.233 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.024 0.149 -11.845 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.340 -1.148 -12.414 1.00 0.00 C ATOM 1135 C GLY A 74 -7.043 -2.058 -11.428 1.00 0.00 C ATOM 1136 O GLY A 74 -6.560 -3.150 -11.125 1.00 0.00 O ATOM 0 H GLY A 74 -6.557 0.928 -12.232 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.971 -1.012 -13.292 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.421 -1.626 -12.753 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.187 -1.610 -10.923 1.00 0.00 N ATOM 1141 CA LEU A 75 -8.959 -2.391 -9.963 1.00 0.00 C ATOM 1142 C LEU A 75 -10.349 -2.704 -10.508 1.00 0.00 C ATOM 1143 O LEU A 75 -10.739 -2.210 -11.566 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.076 -1.636 -8.638 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.758 -1.218 -7.985 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.020 -0.376 -6.746 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.925 -2.442 -7.634 1.00 0.00 C ATOM 0 H LEU A 75 -8.601 -0.709 -11.163 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.436 -3.332 -9.793 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.676 -0.741 -8.804 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.625 -2.261 -7.934 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.197 -0.614 -8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.071 -0.088 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.576 0.519 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.602 -0.955 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.991 -2.125 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.480 -3.073 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.707 -3.006 -8.541 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.094 -3.527 -9.777 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.442 -3.904 -10.183 1.00 0.00 C ATOM 1161 C LYS A 76 -13.487 -3.177 -9.344 1.00 0.00 C ATOM 1162 O LYS A 76 -13.320 -2.973 -8.141 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.632 -5.417 -10.054 1.00 0.00 C ATOM 1164 CG LYS A 76 -12.178 -6.194 -11.278 1.00 0.00 C ATOM 1165 CD LYS A 76 -12.697 -7.622 -11.255 1.00 0.00 C ATOM 1166 CE LYS A 76 -12.381 -8.350 -12.553 1.00 0.00 C ATOM 1167 NZ LYS A 76 -11.007 -8.924 -12.547 1.00 0.00 N ATOM 0 H LYS A 76 -10.786 -3.946 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.574 -3.615 -11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.079 -5.771 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.685 -5.628 -9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.530 -5.692 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.089 -6.202 -11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.251 -8.159 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.775 -7.616 -11.093 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.107 -9.148 -12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.483 -7.660 -13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.831 -9.412 -13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.312 -8.160 -12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.917 -9.602 -11.763 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.592 -2.776 -9.989 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.687 -2.067 -9.320 1.00 0.00 C ATOM 1183 C PRO A 77 -16.457 -2.965 -8.358 1.00 0.00 C ATOM 1184 O PRO A 77 -16.491 -4.184 -8.524 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.587 -1.630 -10.479 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.308 -2.609 -11.566 1.00 0.00 C ATOM 1187 CD PRO A 77 -14.859 -2.985 -11.423 1.00 0.00 C ATOM 0 HA PRO A 77 -15.324 -1.241 -8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.638 -1.647 -10.192 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.359 -0.612 -10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.949 -3.486 -11.476 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.503 -2.171 -12.545 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.681 -4.019 -11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.218 -2.361 -12.046 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.074 -2.355 -7.351 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.843 -3.100 -6.362 1.00 0.00 C ATOM 1197 C ASN A 78 -17.090 -4.349 -5.915 1.00 0.00 C ATOM 1198 O ASN A 78 -17.626 -5.457 -5.949 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.207 -3.490 -6.934 1.00 0.00 C ATOM 1200 CG ASN A 78 -20.167 -3.973 -5.864 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -20.342 -3.323 -4.833 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -20.793 -5.119 -6.104 1.00 0.00 N ATOM 0 H ASN A 78 -17.056 -1.347 -7.199 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.991 -2.457 -5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.641 -2.632 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.074 -4.274 -7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -21.450 -5.494 -5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -20.617 -5.624 -6.973 1.00 0.00 H new ATOM 1209 N THR A 79 -15.842 -4.163 -5.495 1.00 0.00 N ATOM 1210 CA THR A 79 -15.014 -5.273 -5.042 1.00 0.00 C ATOM 1211 C THR A 79 -14.039 -4.826 -3.960 1.00 0.00 C ATOM 1212 O THR A 79 -13.503 -3.718 -4.011 1.00 0.00 O ATOM 1213 CB THR A 79 -14.221 -5.895 -6.207 1.00 0.00 C ATOM 1214 OG1 THR A 79 -15.104 -6.202 -7.292 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.502 -7.158 -5.759 1.00 0.00 C ATOM 0 H THR A 79 -15.383 -3.253 -5.459 1.00 0.00 H new ATOM 0 HA THR A 79 -15.689 -6.023 -4.631 1.00 0.00 H new ATOM 0 HB THR A 79 -13.477 -5.171 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.409 -5.370 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.949 -7.579 -6.599 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.809 -6.916 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.232 -7.886 -5.404 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.811 -5.694 -2.980 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.898 -5.388 -1.884 1.00 0.00 C ATOM 1225 C LEU A 80 -11.451 -5.651 -2.292 1.00 0.00 C ATOM 1226 O LEU A 80 -11.152 -6.647 -2.950 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.251 -6.222 -0.652 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.157 -6.351 0.408 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.914 -5.014 1.090 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -12.529 -7.414 1.432 1.00 0.00 C ATOM 0 H LEU A 80 -14.246 -6.615 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.002 -4.330 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.133 -5.786 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.528 -7.223 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.234 -6.657 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.132 -5.126 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.602 -4.279 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.833 -4.678 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.739 -7.492 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.464 -7.138 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.651 -8.374 0.931 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.558 -4.751 -1.894 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.143 -4.885 -2.218 1.00 0.00 C ATOM 1244 C TYR A 81 -8.277 -4.657 -0.983 1.00 0.00 C ATOM 1245 O TYR A 81 -8.687 -3.978 -0.042 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.753 -3.895 -3.317 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.980 -4.423 -4.716 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -10.210 -4.277 -5.345 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -7.962 -5.068 -5.409 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -10.421 -4.758 -6.622 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -8.164 -5.552 -6.687 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.395 -5.395 -7.289 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.601 -5.875 -8.562 1.00 0.00 O ATOM 0 H TYR A 81 -10.789 -3.922 -1.347 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.974 -5.900 -2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.325 -2.977 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.701 -3.634 -3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.015 -3.779 -4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.997 -5.193 -4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.384 -4.636 -7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.363 -6.051 -7.212 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.779 -6.295 -8.890 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.077 -5.229 -0.995 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.153 -5.088 0.125 1.00 0.00 C ATOM 1265 C GLU A 82 -5.007 -4.147 -0.231 1.00 0.00 C ATOM 1266 O GLU A 82 -4.568 -4.091 -1.380 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.598 -6.455 0.532 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.439 -7.167 1.578 1.00 0.00 C ATOM 1269 CD GLU A 82 -5.728 -8.361 2.185 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -5.012 -9.065 1.443 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -5.888 -8.590 3.402 1.00 0.00 O ATOM 0 H GLU A 82 -6.722 -5.794 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.702 -4.662 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.524 -7.086 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.586 -6.327 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.700 -6.464 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.373 -7.497 1.124 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.525 -3.408 0.763 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.431 -2.467 0.555 1.00 0.00 C ATOM 1280 C PHE A 83 -2.430 -2.534 1.705 1.00 0.00 C ATOM 1281 O PHE A 83 -2.813 -2.547 2.875 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.973 -1.043 0.419 1.00 0.00 C ATOM 1283 CG PHE A 83 -5.066 -0.912 -0.603 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.844 -1.271 -1.923 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.315 -0.431 -0.244 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.847 -1.151 -2.866 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.322 -0.310 -1.183 1.00 0.00 C ATOM 1288 CZ PHE A 83 -7.088 -0.671 -2.495 1.00 0.00 C ATOM 0 H PHE A 83 -4.875 -3.443 1.720 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.919 -2.743 -0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.350 -0.712 1.387 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.154 -0.375 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.876 -1.649 -2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.504 -0.148 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.661 -1.432 -3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.291 0.067 -0.891 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.874 -0.578 -3.230 1.00 0.00 H new ATOM 1298 N SER A 84 -1.146 -2.578 1.363 1.00 0.00 N ATOM 1299 CA SER A 84 -0.090 -2.649 2.365 1.00 0.00 C ATOM 1300 C SER A 84 1.203 -2.035 1.837 1.00 0.00 C ATOM 1301 O SER A 84 1.695 -2.415 0.775 1.00 0.00 O ATOM 1302 CB SER A 84 0.154 -4.102 2.778 1.00 0.00 C ATOM 1303 OG SER A 84 -1.016 -4.678 3.334 1.00 0.00 O ATOM 0 H SER A 84 -0.812 -2.566 0.399 1.00 0.00 H new ATOM 0 HA SER A 84 -0.412 -2.080 3.237 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.472 -4.681 1.911 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.965 -4.145 3.505 1.00 0.00 H new ATOM 0 HG SER A 84 -0.880 -4.834 4.292 1.00 0.00 H new ATOM 1309 N VAL A 85 1.747 -1.082 2.587 1.00 0.00 N ATOM 1310 CA VAL A 85 2.983 -0.415 2.196 1.00 0.00 C ATOM 1311 C VAL A 85 4.140 -0.827 3.099 1.00 0.00 C ATOM 1312 O VAL A 85 3.988 -0.917 4.317 1.00 0.00 O ATOM 1313 CB VAL A 85 2.832 1.117 2.240 1.00 0.00 C ATOM 1314 CG1 VAL A 85 3.994 1.790 1.525 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.504 1.539 1.631 1.00 0.00 C ATOM 0 H VAL A 85 1.351 -0.755 3.468 1.00 0.00 H new ATOM 0 HA VAL A 85 3.198 -0.722 1.173 1.00 0.00 H new ATOM 0 HB VAL A 85 2.845 1.436 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.869 2.872 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.930 1.513 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.017 1.467 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.414 2.625 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.458 1.209 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.686 1.087 2.192 1.00 0.00 H new ATOM 1325 N MET A 86 5.297 -1.076 2.494 1.00 0.00 N ATOM 1326 CA MET A 86 6.481 -1.477 3.245 1.00 0.00 C ATOM 1327 C MET A 86 7.737 -0.837 2.662 1.00 0.00 C ATOM 1328 O MET A 86 7.789 -0.518 1.475 1.00 0.00 O ATOM 1329 CB MET A 86 6.622 -3.001 3.241 1.00 0.00 C ATOM 1330 CG MET A 86 7.118 -3.561 1.918 1.00 0.00 C ATOM 1331 SD MET A 86 7.565 -5.305 2.027 1.00 0.00 S ATOM 1332 CE MET A 86 9.254 -5.185 2.612 1.00 0.00 C ATOM 0 H MET A 86 5.440 -1.007 1.486 1.00 0.00 H new ATOM 0 HA MET A 86 6.363 -1.133 4.273 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.311 -3.296 4.032 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.656 -3.448 3.476 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.344 -3.435 1.161 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.984 -2.988 1.587 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.936 -5.504 1.824 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.472 -4.152 2.884 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.383 -5.825 3.485 1.00 0.00 H new ATOM 1342 N VAL A 87 8.747 -0.651 3.506 1.00 0.00 N ATOM 1343 CA VAL A 87 10.003 -0.050 3.074 1.00 0.00 C ATOM 1344 C VAL A 87 11.144 -1.059 3.133 1.00 0.00 C ATOM 1345 O VAL A 87 11.223 -1.872 4.055 1.00 0.00 O ATOM 1346 CB VAL A 87 10.367 1.171 3.939 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.519 0.767 5.398 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.639 1.828 3.425 1.00 0.00 C ATOM 0 H VAL A 87 8.720 -0.908 4.493 1.00 0.00 H new ATOM 0 HA VAL A 87 9.861 0.274 2.043 1.00 0.00 H new ATOM 0 HB VAL A 87 9.557 1.897 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.776 1.643 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.580 0.346 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.309 0.022 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.881 2.689 4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.459 1.111 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.489 2.155 2.396 1.00 0.00 H new ATOM 1358 N THR A 88 12.029 -1.002 2.142 1.00 0.00 N ATOM 1359 CA THR A 88 13.166 -1.912 2.080 1.00 0.00 C ATOM 1360 C THR A 88 14.450 -1.163 1.740 1.00 0.00 C ATOM 1361 O THR A 88 14.456 -0.273 0.889 1.00 0.00 O ATOM 1362 CB THR A 88 12.941 -3.022 1.037 1.00 0.00 C ATOM 1363 OG1 THR A 88 11.741 -3.742 1.339 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.121 -3.982 1.006 1.00 0.00 C ATOM 0 H THR A 88 11.980 -0.335 1.372 1.00 0.00 H new ATOM 0 HA THR A 88 13.263 -2.366 3.066 1.00 0.00 H new ATOM 0 HB THR A 88 12.847 -2.555 0.056 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.058 -3.537 0.666 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.940 -4.758 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.028 -3.436 0.747 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.242 -4.442 1.987 1.00 0.00 H new ATOM 1372 N LYS A 89 15.538 -1.529 2.409 1.00 0.00 N ATOM 1373 CA LYS A 89 16.830 -0.895 2.177 1.00 0.00 C ATOM 1374 C LYS A 89 17.864 -1.918 1.719 1.00 0.00 C ATOM 1375 O LYS A 89 18.751 -2.303 2.480 1.00 0.00 O ATOM 1376 CB LYS A 89 17.315 -0.198 3.451 1.00 0.00 C ATOM 1377 CG LYS A 89 18.609 0.575 3.266 1.00 0.00 C ATOM 1378 CD LYS A 89 18.699 1.750 4.225 1.00 0.00 C ATOM 1379 CE LYS A 89 19.224 1.319 5.586 1.00 0.00 C ATOM 1380 NZ LYS A 89 20.645 0.879 5.519 1.00 0.00 N ATOM 0 H LYS A 89 15.550 -2.263 3.117 1.00 0.00 H new ATOM 0 HA LYS A 89 16.706 -0.153 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.540 0.485 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.456 -0.945 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.457 -0.091 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 89 18.675 0.936 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.354 2.514 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.714 2.203 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.133 2.147 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.610 0.505 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 21.080 0.967 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.687 -0.113 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.161 1.475 4.841 1.00 0.00 H new ATOM 1394 N GLY A 90 17.745 -2.353 0.468 1.00 0.00 N ATOM 1395 CA GLY A 90 18.678 -3.327 -0.070 1.00 0.00 C ATOM 1396 C GLY A 90 18.572 -4.673 0.618 1.00 0.00 C ATOM 1397 O GLY A 90 17.846 -5.556 0.161 1.00 0.00 O ATOM 0 H GLY A 90 17.020 -2.049 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.493 -3.452 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.695 -2.948 0.035 1.00 0.00 H new ATOM 1401 N ARG A 91 19.299 -4.832 1.720 1.00 0.00 N ATOM 1402 CA ARG A 91 19.285 -6.081 2.470 1.00 0.00 C ATOM 1403 C ARG A 91 18.210 -6.054 3.552 1.00 0.00 C ATOM 1404 O ARG A 91 17.555 -7.063 3.816 1.00 0.00 O ATOM 1405 CB ARG A 91 20.655 -6.335 3.103 1.00 0.00 C ATOM 1406 CG ARG A 91 21.720 -6.754 2.103 1.00 0.00 C ATOM 1407 CD ARG A 91 23.104 -6.760 2.734 1.00 0.00 C ATOM 1408 NE ARG A 91 23.379 -8.010 3.437 1.00 0.00 N ATOM 1409 CZ ARG A 91 24.434 -8.194 4.223 1.00 0.00 C ATOM 1410 NH1 ARG A 91 25.309 -7.215 4.404 1.00 0.00 N ATOM 1411 NH2 ARG A 91 24.616 -9.361 4.829 1.00 0.00 N ATOM 0 H ARG A 91 19.905 -4.111 2.112 1.00 0.00 H new ATOM 0 HA ARG A 91 19.057 -6.890 1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 91 20.984 -5.429 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.557 -7.111 3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.490 -7.748 1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 91 21.710 -6.073 1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.856 -6.606 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.188 -5.926 3.431 1.00 0.00 H new ATOM 0 HE ARG A 91 22.725 -8.784 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.173 -6.317 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 91 26.118 -7.359 5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 91 23.946 -10.117 4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 91 25.426 -9.501 5.432 1.00 0.00 H new ATOM 1425 N ARG A 92 18.034 -4.894 4.175 1.00 0.00 N ATOM 1426 CA ARG A 92 17.039 -4.736 5.230 1.00 0.00 C ATOM 1427 C ARG A 92 15.629 -4.710 4.648 1.00 0.00 C ATOM 1428 O ARG A 92 15.449 -4.597 3.435 1.00 0.00 O ATOM 1429 CB ARG A 92 17.300 -3.451 6.018 1.00 0.00 C ATOM 1430 CG ARG A 92 18.411 -3.583 7.048 1.00 0.00 C ATOM 1431 CD ARG A 92 17.977 -4.437 8.229 1.00 0.00 C ATOM 1432 NE ARG A 92 19.000 -4.493 9.269 1.00 0.00 N ATOM 1433 CZ ARG A 92 19.086 -5.472 10.163 1.00 0.00 C ATOM 1434 NH1 ARG A 92 18.214 -6.470 10.144 1.00 0.00 N ATOM 1435 NH2 ARG A 92 20.046 -5.453 11.079 1.00 0.00 N ATOM 0 H ARG A 92 18.567 -4.049 3.968 1.00 0.00 H new ATOM 0 HA ARG A 92 17.121 -5.590 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.555 -2.653 5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.382 -3.152 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.291 -4.026 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.701 -2.593 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.055 -4.034 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.755 -5.447 7.884 1.00 0.00 H new ATOM 0 HE ARG A 92 19.686 -3.739 9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 92 17.474 -6.488 9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 92 18.283 -7.220 10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 92 20.719 -4.686 11.097 1.00 0.00 H new ATOM 0 HH22 ARG A 92 20.111 -6.205 11.765 1.00 0.00 H new ATOM 1449 N SER A 93 14.632 -4.817 5.520 1.00 0.00 N ATOM 1450 CA SER A 93 13.238 -4.810 5.093 1.00 0.00 C ATOM 1451 C SER A 93 12.302 -4.713 6.294 1.00 0.00 C ATOM 1452 O SER A 93 12.546 -5.321 7.336 1.00 0.00 O ATOM 1453 CB SER A 93 12.924 -6.073 4.288 1.00 0.00 C ATOM 1454 OG SER A 93 13.334 -7.237 4.984 1.00 0.00 O ATOM 0 H SER A 93 14.764 -4.910 6.527 1.00 0.00 H new ATOM 0 HA SER A 93 13.081 -3.936 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.854 -6.123 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.427 -6.027 3.322 1.00 0.00 H new ATOM 0 HG SER A 93 13.121 -8.030 4.449 1.00 0.00 H new ATOM 1460 N SER A 94 11.229 -3.944 6.139 1.00 0.00 N ATOM 1461 CA SER A 94 10.257 -3.763 7.211 1.00 0.00 C ATOM 1462 C SER A 94 9.022 -4.626 6.976 1.00 0.00 C ATOM 1463 O SER A 94 8.713 -4.994 5.841 1.00 0.00 O ATOM 1464 CB SER A 94 9.853 -2.291 7.318 1.00 0.00 C ATOM 1465 OG SER A 94 9.074 -1.894 6.203 1.00 0.00 O ATOM 0 H SER A 94 11.011 -3.436 5.282 1.00 0.00 H new ATOM 0 HA SER A 94 10.722 -4.074 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.287 -2.132 8.236 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.746 -1.669 7.382 1.00 0.00 H new ATOM 0 HG SER A 94 8.398 -1.245 6.490 1.00 0.00 H new ATOM 1471 N THR A 95 8.317 -4.947 8.056 1.00 0.00 N ATOM 1472 CA THR A 95 7.115 -5.767 7.969 1.00 0.00 C ATOM 1473 C THR A 95 6.006 -5.040 7.217 1.00 0.00 C ATOM 1474 O THR A 95 6.055 -3.823 7.045 1.00 0.00 O ATOM 1475 CB THR A 95 6.601 -6.159 9.367 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.363 -6.870 9.252 1.00 0.00 O ATOM 1477 CG2 THR A 95 6.404 -4.927 10.237 1.00 0.00 C ATOM 0 H THR A 95 8.558 -4.651 9.002 1.00 0.00 H new ATOM 0 HA THR A 95 7.387 -6.670 7.423 1.00 0.00 H new ATOM 0 HB THR A 95 7.347 -6.801 9.837 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.044 -7.117 10.145 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.041 -5.229 11.219 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.354 -4.404 10.347 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.676 -4.264 9.769 1.00 0.00 H new ATOM 1485 N TRP A 96 5.007 -5.794 6.773 1.00 0.00 N ATOM 1486 CA TRP A 96 3.885 -5.220 6.039 1.00 0.00 C ATOM 1487 C TRP A 96 2.989 -4.406 6.965 1.00 0.00 C ATOM 1488 O TRP A 96 2.403 -4.941 7.907 1.00 0.00 O ATOM 1489 CB TRP A 96 3.071 -6.326 5.365 1.00 0.00 C ATOM 1490 CG TRP A 96 3.778 -6.961 4.206 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.361 -8.196 4.178 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.978 -6.391 2.907 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.911 -8.428 2.940 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.690 -7.337 2.143 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.625 -5.175 2.316 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.053 -7.102 0.819 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 3.986 -4.944 1.003 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.694 -5.903 0.266 1.00 0.00 C ATOM 0 H TRP A 96 4.951 -6.803 6.908 1.00 0.00 H new ATOM 0 HA TRP A 96 4.285 -4.555 5.274 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.834 -7.094 6.102 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.123 -5.912 5.021 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.386 -8.888 5.007 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.404 -9.276 2.660 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.080 -4.429 2.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.598 -7.840 0.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.718 -4.008 0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 96 4.962 -5.691 -0.759 1.00 0.00 H new ATOM 1509 N SER A 97 2.886 -3.109 6.693 1.00 0.00 N ATOM 1510 CA SER A 97 2.063 -2.220 7.504 1.00 0.00 C ATOM 1511 C SER A 97 0.619 -2.709 7.553 1.00 0.00 C ATOM 1512 O SER A 97 0.240 -3.630 6.829 1.00 0.00 O ATOM 1513 CB SER A 97 2.113 -0.795 6.949 1.00 0.00 C ATOM 1514 OG SER A 97 1.418 -0.704 5.717 1.00 0.00 O ATOM 0 H SER A 97 3.363 -2.650 5.917 1.00 0.00 H new ATOM 0 HA SER A 97 2.463 -2.221 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.674 -0.105 7.670 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.151 -0.492 6.808 1.00 0.00 H new ATOM 0 HG SER A 97 1.442 -1.572 5.263 1.00 0.00 H new ATOM 1520 N MET A 98 -0.182 -2.086 8.411 1.00 0.00 N ATOM 1521 CA MET A 98 -1.585 -2.457 8.553 1.00 0.00 C ATOM 1522 C MET A 98 -2.257 -2.577 7.189 1.00 0.00 C ATOM 1523 O MET A 98 -2.066 -1.732 6.314 1.00 0.00 O ATOM 1524 CB MET A 98 -2.323 -1.425 9.409 1.00 0.00 C ATOM 1525 CG MET A 98 -2.122 0.007 8.942 1.00 0.00 C ATOM 1526 SD MET A 98 -2.869 1.212 10.055 1.00 0.00 S ATOM 1527 CE MET A 98 -4.610 0.906 9.767 1.00 0.00 C ATOM 0 H MET A 98 0.116 -1.322 9.018 1.00 0.00 H new ATOM 0 HA MET A 98 -1.630 -3.428 9.047 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.389 -1.655 9.402 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.985 -1.513 10.441 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.055 0.211 8.856 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.550 0.124 7.946 1.00 0.00 H new ATOM 0 HE1 MET A 98 -5.200 1.697 10.230 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.804 0.889 8.695 1.00 0.00 H new ATOM 0 HE3 MET A 98 -4.887 -0.055 10.201 1.00 0.00 H new ATOM 1537 N THR A 99 -3.045 -3.634 7.013 1.00 0.00 N ATOM 1538 CA THR A 99 -3.744 -3.865 5.756 1.00 0.00 C ATOM 1539 C THR A 99 -4.994 -2.999 5.653 1.00 0.00 C ATOM 1540 O THR A 99 -6.003 -3.270 6.303 1.00 0.00 O ATOM 1541 CB THR A 99 -4.144 -5.345 5.599 1.00 0.00 C ATOM 1542 OG1 THR A 99 -3.032 -6.189 5.920 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.612 -5.632 4.181 1.00 0.00 C ATOM 0 H THR A 99 -3.214 -4.343 7.726 1.00 0.00 H new ATOM 0 HA THR A 99 -3.053 -3.596 4.957 1.00 0.00 H new ATOM 0 HB THR A 99 -4.966 -5.551 6.284 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.294 -7.128 5.820 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.889 -6.683 4.095 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.476 -5.009 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.807 -5.410 3.480 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.920 -1.957 4.832 1.00 0.00 N ATOM 1552 CA ALA A 100 -6.047 -1.052 4.643 1.00 0.00 C ATOM 1553 C ALA A 100 -6.990 -1.569 3.562 1.00 0.00 C ATOM 1554 O ALA A 100 -6.577 -1.810 2.427 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.552 0.343 4.292 1.00 0.00 C ATOM 0 H ALA A 100 -4.091 -1.718 4.287 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.602 -1.002 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.405 1.008 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.925 0.720 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.971 0.302 3.371 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.259 -1.738 3.920 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.261 -2.226 2.980 1.00 0.00 C ATOM 1563 C HIS A 101 -10.041 -1.068 2.366 1.00 0.00 C ATOM 1564 O HIS A 101 -10.507 -0.176 3.075 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.221 -3.189 3.679 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.555 -4.425 4.202 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.725 -4.883 5.491 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.715 -5.300 3.601 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -9.017 -5.985 5.661 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.395 -6.260 4.529 1.00 0.00 N ATOM 0 H HIS A 101 -8.618 -1.544 4.855 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.744 -2.757 2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.705 -2.670 4.506 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.006 -3.477 2.980 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.362 -5.252 2.581 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.957 -6.563 6.571 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.777 -7.056 4.370 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.179 -1.087 1.044 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.902 -0.032 0.358 1.00 0.00 C ATOM 1581 C GLY A 102 -11.828 -0.568 -0.716 1.00 0.00 C ATOM 1582 O GLY A 102 -11.374 -1.124 -1.718 1.00 0.00 O ATOM 0 H GLY A 102 -9.803 -1.814 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.483 0.537 1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.190 0.659 -0.092 1.00 0.00 H new ATOM 1586 N THR A 103 -13.130 -0.404 -0.509 1.00 0.00 N ATOM 1587 CA THR A 103 -14.122 -0.877 -1.466 1.00 0.00 C ATOM 1588 C THR A 103 -14.493 0.217 -2.461 1.00 0.00 C ATOM 1589 O THR A 103 -15.070 1.239 -2.089 1.00 0.00 O ATOM 1590 CB THR A 103 -15.400 -1.364 -0.756 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.062 -2.307 0.267 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.359 -2.006 -1.748 1.00 0.00 C ATOM 0 H THR A 103 -13.523 0.053 0.314 1.00 0.00 H new ATOM 0 HA THR A 103 -13.671 -1.713 -2.001 1.00 0.00 H new ATOM 0 HB THR A 103 -15.891 -0.501 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.879 -2.611 0.715 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.254 -2.342 -1.224 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.637 -1.277 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.874 -2.859 -2.222 1.00 0.00 H new ATOM 1600 N THR A 104 -14.159 -0.005 -3.729 1.00 0.00 N ATOM 1601 CA THR A 104 -14.457 0.963 -4.777 1.00 0.00 C ATOM 1602 C THR A 104 -15.950 1.003 -5.081 1.00 0.00 C ATOM 1603 O THR A 104 -16.698 0.109 -4.685 1.00 0.00 O ATOM 1604 CB THR A 104 -13.690 0.640 -6.073 1.00 0.00 C ATOM 1605 OG1 THR A 104 -13.998 -0.690 -6.507 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.189 0.775 -5.862 1.00 0.00 C ATOM 0 H THR A 104 -13.682 -0.846 -4.054 1.00 0.00 H new ATOM 0 HA THR A 104 -14.138 1.938 -4.407 1.00 0.00 H new ATOM 0 HB THR A 104 -13.999 1.352 -6.838 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.324 -0.987 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.669 0.542 -6.791 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.954 1.796 -5.561 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.867 0.084 -5.083 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.378 2.045 -5.786 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.783 2.202 -6.142 1.00 0.00 C ATOM 1616 C PHE A 105 -18.167 1.250 -7.272 1.00 0.00 C ATOM 1617 O PHE A 105 -17.308 0.612 -7.878 1.00 0.00 O ATOM 1618 CB PHE A 105 -18.068 3.647 -6.558 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.802 4.647 -5.470 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.558 4.643 -4.308 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.798 5.591 -5.609 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.316 5.563 -3.304 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.551 6.513 -4.608 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.312 6.499 -3.455 1.00 0.00 C ATOM 0 H PHE A 105 -15.772 2.793 -6.122 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.384 1.959 -5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.456 3.894 -7.425 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.110 3.729 -6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.345 3.913 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.201 5.607 -6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.911 5.549 -2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.764 7.243 -4.728 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.122 7.219 -2.673 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.465 1.162 -7.547 1.00 0.00 N ATOM 1635 CA GLU A 106 -19.963 0.287 -8.603 1.00 0.00 C ATOM 1636 C GLU A 106 -19.815 0.947 -9.971 1.00 0.00 C ATOM 1637 O GLU A 106 -19.936 2.166 -10.101 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.429 -0.068 -8.351 1.00 0.00 C ATOM 1639 CG GLU A 106 -22.386 1.087 -8.595 1.00 0.00 C ATOM 1640 CD GLU A 106 -22.516 2.001 -7.392 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -22.668 1.481 -6.266 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -22.466 3.235 -7.575 1.00 0.00 O ATOM 0 H GLU A 106 -20.189 1.685 -7.055 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.369 -0.627 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.708 -0.902 -8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.540 -0.409 -7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -22.040 1.666 -9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -23.368 0.692 -8.854 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.553 0.134 -10.988 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.389 0.638 -12.347 1.00 0.00 C ATOM 1651 C LEU A 107 -20.577 0.248 -13.220 1.00 0.00 C ATOM 1652 O LEU A 107 -20.578 -0.811 -13.847 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.094 0.099 -12.958 1.00 0.00 C ATOM 1654 CG LEU A 107 -17.878 0.396 -14.443 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -17.718 1.891 -14.671 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -16.664 -0.358 -14.966 1.00 0.00 C ATOM 0 H LEU A 107 -19.450 -0.877 -10.898 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.338 1.726 -12.301 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.253 0.511 -12.400 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.072 -0.982 -12.817 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.756 0.058 -14.993 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.565 2.083 -15.733 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.616 2.409 -14.334 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.858 2.255 -14.109 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.525 -0.135 -16.024 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.778 -0.050 -14.411 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.818 -1.429 -14.838 1.00 0.00 H new