USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 642 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 53 HIS : no HE2:sc= 1.01 K(o=2.9,f=-4.7!) USER MOD Set 1.2: A 86 THR OG1 : rot -36:sc= 1.91 USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= -0.15 USER MOD Set 3.1: A 14 THR OG1 : rot 144:sc= 1.02 USER MOD Set 3.2: A 85 LYS NZ :NH3+ 138:sc= 1.23 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.038 K(o=-0.038,f=0.58) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.757 K(o=-0.76,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.14) USER MOD Single : A 61 GLN : amide:sc= -0.0756 X(o=-0.076,f=0) USER MOD Single : A 62 SER OG : rot 42:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot -156:sc= -2.9! USER MOD Single : A 68 HIS : no HD1:sc=-0.00735 X(o=-0.0074,f=-0.13) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= -0.0279 (180deg=-0.156) USER MOD Single : A 73 HIS : no HD1:sc= -0.0027 X(o=-0.0027,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0029) USER MOD Single : A 83 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.0069) USER MOD Single : A 84 MET CE :methyl -169:sc= -3.39 (180deg=-4.02) USER MOD Single : A 87 MET CE :methyl -155:sc= -0.105 (180deg=-0.932) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.873 -7.428 3.597 1.00 0.00 N ATOM 55 CA ASN A 11 13.727 -7.145 2.770 1.00 0.00 C ATOM 56 C ASN A 11 12.564 -6.861 3.678 1.00 0.00 C ATOM 57 O ASN A 11 11.935 -7.764 4.200 1.00 0.00 O ATOM 58 CB ASN A 11 13.415 -8.303 1.794 1.00 0.00 C ATOM 59 CG ASN A 11 14.507 -8.550 0.742 1.00 0.00 C ATOM 60 OD1 ASN A 11 15.705 -8.306 0.967 1.00 0.00 O ATOM 61 ND2 ASN A 11 14.117 -9.063 -0.396 1.00 0.00 N ATOM 0 HA ASN A 11 13.934 -6.278 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.266 -9.217 2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.476 -8.090 1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.802 -9.272 -1.123 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.128 -9.254 -0.557 1.00 0.00 H new ATOM 68 N VAL A 12 12.302 -5.609 3.891 1.00 0.00 N ATOM 69 CA VAL A 12 11.325 -5.186 4.824 1.00 0.00 C ATOM 70 C VAL A 12 10.274 -4.387 4.126 1.00 0.00 C ATOM 71 O VAL A 12 10.555 -3.489 3.331 1.00 0.00 O ATOM 72 CB VAL A 12 11.939 -4.360 5.994 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.860 -3.751 6.866 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.834 -5.217 6.863 1.00 0.00 C ATOM 0 H VAL A 12 12.774 -4.844 3.408 1.00 0.00 H new ATOM 0 HA VAL A 12 10.881 -6.080 5.262 1.00 0.00 H new ATOM 0 HB VAL A 12 12.528 -3.565 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.322 -3.182 7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.237 -3.089 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.243 -4.544 7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.246 -4.611 7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.254 -6.037 7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.647 -5.621 6.260 1.00 0.00 H new ATOM 84 N THR A 13 9.100 -4.729 4.413 1.00 0.00 N ATOM 85 CA THR A 13 7.957 -4.127 3.909 1.00 0.00 C ATOM 86 C THR A 13 7.103 -3.748 5.094 1.00 0.00 C ATOM 87 O THR A 13 6.666 -4.613 5.884 1.00 0.00 O ATOM 88 CB THR A 13 7.259 -5.141 3.028 1.00 0.00 C ATOM 89 OG1 THR A 13 8.088 -5.464 1.880 1.00 0.00 O ATOM 90 CG2 THR A 13 5.872 -4.703 2.624 1.00 0.00 C ATOM 0 H THR A 13 8.896 -5.495 5.055 1.00 0.00 H new ATOM 0 HA THR A 13 8.169 -3.236 3.317 1.00 0.00 H new ATOM 0 HB THR A 13 7.120 -6.049 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.627 -6.122 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.418 -5.468 1.993 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.262 -4.559 3.516 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.933 -3.766 2.071 1.00 0.00 H new ATOM 98 N THR A 14 6.926 -2.496 5.250 1.00 0.00 N ATOM 99 CA THR A 14 6.223 -1.961 6.330 1.00 0.00 C ATOM 100 C THR A 14 4.736 -2.047 6.067 1.00 0.00 C ATOM 101 O THR A 14 4.266 -1.887 4.934 1.00 0.00 O ATOM 102 CB THR A 14 6.627 -0.501 6.548 1.00 0.00 C ATOM 103 OG1 THR A 14 8.075 -0.398 6.592 1.00 0.00 O ATOM 104 CG2 THR A 14 6.044 0.039 7.856 1.00 0.00 C ATOM 0 H THR A 14 7.282 -1.794 4.601 1.00 0.00 H new ATOM 0 HA THR A 14 6.463 -2.533 7.227 1.00 0.00 H new ATOM 0 HB THR A 14 6.235 0.090 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.356 0.439 6.168 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.346 1.078 7.987 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.956 -0.021 7.822 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.414 -0.555 8.692 1.00 0.00 H new ATOM 112 N VAL A 15 4.038 -2.349 7.082 1.00 0.00 N ATOM 113 CA VAL A 15 2.640 -2.434 7.069 1.00 0.00 C ATOM 114 C VAL A 15 2.102 -1.419 8.018 1.00 0.00 C ATOM 115 O VAL A 15 2.682 -1.200 9.079 1.00 0.00 O ATOM 116 CB VAL A 15 2.181 -3.833 7.493 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.689 -3.866 7.709 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.553 -4.824 6.437 1.00 0.00 C ATOM 0 H VAL A 15 4.447 -2.555 7.993 1.00 0.00 H new ATOM 0 HA VAL A 15 2.271 -2.247 6.060 1.00 0.00 H new ATOM 0 HB VAL A 15 2.674 -4.088 8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.387 -4.869 8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.419 -3.156 8.491 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.181 -3.596 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.226 -5.819 6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.070 -4.554 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.635 -4.823 6.302 1.00 0.00 H new ATOM 128 N LEU A 16 1.054 -0.771 7.640 1.00 0.00 N ATOM 129 CA LEU A 16 0.427 0.128 8.518 1.00 0.00 C ATOM 130 C LEU A 16 -1.019 -0.230 8.618 1.00 0.00 C ATOM 131 O LEU A 16 -1.796 0.015 7.694 1.00 0.00 O ATOM 132 CB LEU A 16 0.544 1.548 8.068 1.00 0.00 C ATOM 133 CG LEU A 16 0.009 2.530 9.077 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.060 2.909 10.067 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.590 3.709 8.426 1.00 0.00 C ATOM 0 H LEU A 16 0.619 -0.855 6.721 1.00 0.00 H new ATOM 0 HA LEU A 16 0.926 0.049 9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.591 1.775 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.006 1.671 7.128 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.792 2.037 9.627 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.646 3.619 10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.401 2.018 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.901 3.367 9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.964 4.394 9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.164 4.214 7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.414 3.392 7.786 1.00 0.00 H new ATOM 147 N ILE A 17 -1.376 -0.804 9.697 1.00 0.00 N ATOM 148 CA ILE A 17 -2.719 -1.212 9.895 1.00 0.00 C ATOM 149 C ILE A 17 -3.372 -0.150 10.754 1.00 0.00 C ATOM 150 O ILE A 17 -2.752 0.369 11.676 1.00 0.00 O ATOM 151 CB ILE A 17 -2.733 -2.652 10.528 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.912 -3.520 10.098 1.00 0.00 C ATOM 153 CG2 ILE A 17 -2.579 -2.664 12.021 1.00 0.00 C ATOM 154 CD1 ILE A 17 -5.249 -3.099 10.654 1.00 0.00 C ATOM 0 H ILE A 17 -0.748 -1.008 10.475 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.286 -1.295 8.968 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.838 -3.110 10.108 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.970 -3.515 9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.717 -4.548 10.402 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.599 -3.693 12.381 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.629 -2.203 12.293 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.397 -2.105 12.476 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.023 -3.776 10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.217 -3.133 11.743 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.475 -2.083 10.329 1.00 0.00 H new ATOM 166 N ARG A 18 -4.547 0.254 10.393 1.00 0.00 N ATOM 167 CA ARG A 18 -5.205 1.291 11.118 1.00 0.00 C ATOM 168 C ARG A 18 -6.428 0.800 11.814 1.00 0.00 C ATOM 169 O ARG A 18 -7.377 0.322 11.200 1.00 0.00 O ATOM 170 CB ARG A 18 -5.455 2.527 10.265 1.00 0.00 C ATOM 171 CG ARG A 18 -4.173 3.285 9.960 1.00 0.00 C ATOM 172 CD ARG A 18 -4.411 4.541 9.154 1.00 0.00 C ATOM 173 NE ARG A 18 -5.428 5.414 9.770 1.00 0.00 N ATOM 174 CZ ARG A 18 -5.296 6.725 10.006 1.00 0.00 C ATOM 175 NH1 ARG A 18 -4.181 7.370 9.670 1.00 0.00 N ATOM 176 NH2 ARG A 18 -6.299 7.394 10.568 1.00 0.00 N ATOM 0 H ARG A 18 -5.070 -0.118 9.601 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.521 1.611 11.904 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.931 2.231 9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.151 3.188 10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.681 3.548 10.896 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.492 2.632 9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.475 5.090 9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.729 4.270 8.147 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.311 4.980 10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.414 6.865 9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.094 8.369 9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.161 6.908 10.816 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.206 8.393 10.751 1.00 0.00 H new ATOM 190 N ARG A 19 -6.374 0.896 13.093 1.00 0.00 N ATOM 191 CA ARG A 19 -7.411 0.452 13.956 1.00 0.00 C ATOM 192 C ARG A 19 -7.976 1.620 14.784 1.00 0.00 C ATOM 193 O ARG A 19 -7.267 2.184 15.608 1.00 0.00 O ATOM 194 CB ARG A 19 -6.849 -0.631 14.876 1.00 0.00 C ATOM 195 CG ARG A 19 -7.730 -0.926 16.048 1.00 0.00 C ATOM 196 CD ARG A 19 -7.128 -1.938 16.978 1.00 0.00 C ATOM 197 NE ARG A 19 -7.404 -3.288 16.592 1.00 0.00 N ATOM 198 CZ ARG A 19 -6.800 -4.345 17.118 1.00 0.00 C ATOM 199 NH1 ARG A 19 -5.619 -4.218 17.658 1.00 0.00 N ATOM 200 NH2 ARG A 19 -7.361 -5.531 17.042 1.00 0.00 N ATOM 0 H ARG A 19 -5.578 1.300 13.587 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.229 0.046 13.360 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.702 -1.546 14.302 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.869 -0.319 15.236 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.922 -0.003 16.595 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.693 -1.292 15.692 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.049 -1.791 17.016 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.509 -1.769 17.985 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.107 -3.447 15.870 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.161 -3.307 17.675 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.153 -5.030 18.063 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.263 -5.640 16.578 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.895 -6.343 17.447 1.00 0.00 H new ATOM 214 N PRO A 20 -9.244 2.015 14.556 1.00 0.00 N ATOM 215 CA PRO A 20 -9.902 3.079 15.344 1.00 0.00 C ATOM 216 C PRO A 20 -10.025 2.733 16.847 1.00 0.00 C ATOM 217 O PRO A 20 -9.959 3.632 17.700 1.00 0.00 O ATOM 218 CB PRO A 20 -11.297 3.185 14.711 1.00 0.00 C ATOM 219 CG PRO A 20 -11.131 2.626 13.342 1.00 0.00 C ATOM 220 CD PRO A 20 -10.118 1.527 13.471 1.00 0.00 C ATOM 0 HA PRO A 20 -9.327 4.005 15.316 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.035 2.622 15.282 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.640 4.219 14.678 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.077 2.243 12.958 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.791 3.392 12.645 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.584 0.575 13.724 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.566 1.375 12.544 1.00 0.00 H new ATOM 228 N ASP A 21 -10.174 1.434 17.154 1.00 0.00 N ATOM 229 CA ASP A 21 -10.329 0.910 18.519 1.00 0.00 C ATOM 230 C ASP A 21 -10.435 -0.599 18.400 1.00 0.00 C ATOM 231 O ASP A 21 -10.521 -1.108 17.277 1.00 0.00 O ATOM 232 CB ASP A 21 -11.567 1.487 19.257 1.00 0.00 C ATOM 233 CG ASP A 21 -12.893 0.928 18.803 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.303 -0.125 19.325 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.568 1.548 17.971 1.00 0.00 O ATOM 0 H ASP A 21 -10.190 0.703 16.443 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.470 1.211 19.118 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.456 1.299 20.325 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.580 2.569 19.124 1.00 0.00 H new ATOM 240 N LEU A 22 -10.454 -1.311 19.517 1.00 0.00 N ATOM 241 CA LEU A 22 -10.408 -2.786 19.526 1.00 0.00 C ATOM 242 C LEU A 22 -11.618 -3.491 18.907 1.00 0.00 C ATOM 243 O LEU A 22 -11.582 -4.701 18.689 1.00 0.00 O ATOM 244 CB LEU A 22 -10.117 -3.315 20.917 1.00 0.00 C ATOM 245 CG LEU A 22 -8.794 -2.854 21.518 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.531 -3.570 22.801 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.662 -3.072 20.545 1.00 0.00 C ATOM 0 H LEU A 22 -10.502 -0.894 20.447 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.582 -3.036 18.861 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.926 -3.011 21.581 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.124 -4.404 20.884 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.862 -1.786 21.725 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.583 -3.231 23.219 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.335 -3.360 23.507 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.483 -4.643 22.616 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.727 -2.736 20.994 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.589 -4.132 20.304 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.851 -2.505 19.634 1.00 0.00 H new ATOM 259 N ARG A 23 -12.662 -2.757 18.608 1.00 0.00 N ATOM 260 CA ARG A 23 -13.844 -3.330 17.936 1.00 0.00 C ATOM 261 C ARG A 23 -13.570 -3.552 16.462 1.00 0.00 C ATOM 262 O ARG A 23 -14.353 -4.175 15.749 1.00 0.00 O ATOM 263 CB ARG A 23 -15.073 -2.472 18.138 1.00 0.00 C ATOM 264 CG ARG A 23 -15.580 -2.500 19.557 1.00 0.00 C ATOM 265 CD ARG A 23 -16.610 -1.438 19.776 1.00 0.00 C ATOM 266 NE ARG A 23 -16.024 -0.126 19.560 1.00 0.00 N ATOM 267 CZ ARG A 23 -16.608 1.035 19.765 1.00 0.00 C ATOM 268 NH1 ARG A 23 -17.842 1.111 20.273 1.00 0.00 N ATOM 269 NH2 ARG A 23 -15.948 2.135 19.460 1.00 0.00 N ATOM 0 H ARG A 23 -12.735 -1.760 18.812 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.046 -4.298 18.395 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.842 -1.444 17.860 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.862 -2.813 17.468 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.008 -3.478 19.775 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.749 -2.355 20.247 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.449 -1.587 19.096 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.005 -1.507 20.789 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.064 -0.103 19.215 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.349 0.258 20.510 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.276 2.022 20.424 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.006 2.074 19.074 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.380 3.047 19.610 1.00 0.00 H new ATOM 283 N TYR A 24 -12.475 -2.995 16.017 1.00 0.00 N ATOM 284 CA TYR A 24 -11.979 -3.162 14.694 1.00 0.00 C ATOM 285 C TYR A 24 -10.785 -4.049 14.775 1.00 0.00 C ATOM 286 O TYR A 24 -9.700 -3.602 15.159 1.00 0.00 O ATOM 287 CB TYR A 24 -11.587 -1.822 14.079 1.00 0.00 C ATOM 288 CG TYR A 24 -12.755 -1.005 13.614 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.508 -0.241 14.497 1.00 0.00 C ATOM 290 CD2 TYR A 24 -13.108 -1.004 12.281 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.582 0.495 14.054 1.00 0.00 C ATOM 292 CE2 TYR A 24 -14.174 -0.280 11.828 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.914 0.472 12.713 1.00 0.00 C ATOM 294 OH TYR A 24 -16.003 1.189 12.255 1.00 0.00 O ATOM 0 H TYR A 24 -11.889 -2.392 16.594 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.752 -3.598 14.061 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -11.023 -1.247 14.813 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.922 -2.001 13.234 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.247 -0.225 15.545 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.529 -1.588 11.580 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.161 1.086 14.748 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.435 -0.297 10.780 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.094 1.063 11.287 1.00 0.00 H new ATOM 304 N GLN A 25 -10.959 -5.312 14.500 1.00 0.00 N ATOM 305 CA GLN A 25 -9.836 -6.191 14.625 1.00 0.00 C ATOM 306 C GLN A 25 -9.002 -6.224 13.380 1.00 0.00 C ATOM 307 O GLN A 25 -9.467 -5.845 12.315 1.00 0.00 O ATOM 308 CB GLN A 25 -10.181 -7.579 15.079 1.00 0.00 C ATOM 309 CG GLN A 25 -11.070 -8.335 14.147 1.00 0.00 C ATOM 310 CD GLN A 25 -10.956 -9.834 14.363 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.140 -10.616 13.446 1.00 0.00 O ATOM 312 NE2 GLN A 25 -10.573 -10.238 15.549 1.00 0.00 N ATOM 0 H GLN A 25 -11.834 -5.742 14.199 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.239 -5.757 15.427 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.258 -8.142 15.217 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.666 -7.518 16.053 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.104 -8.023 14.295 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.808 -8.094 13.117 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.427 -9.559 16.296 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.421 -11.231 15.725 1.00 0.00 H new ATOM 321 N LEU A 26 -7.800 -6.746 13.538 1.00 0.00 N ATOM 322 CA LEU A 26 -6.758 -6.764 12.517 1.00 0.00 C ATOM 323 C LEU A 26 -7.278 -7.378 11.230 1.00 0.00 C ATOM 324 O LEU A 26 -7.409 -6.702 10.213 1.00 0.00 O ATOM 325 CB LEU A 26 -5.530 -7.605 12.972 1.00 0.00 C ATOM 326 CG LEU A 26 -4.926 -7.404 14.382 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.776 -5.944 14.747 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.663 -8.215 15.461 1.00 0.00 C ATOM 0 H LEU A 26 -7.508 -7.186 14.411 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.460 -5.728 12.357 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.809 -8.655 12.887 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.732 -7.428 12.251 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.915 -7.808 14.341 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.348 -5.861 15.746 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.118 -5.455 14.028 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.754 -5.462 14.730 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.198 -8.037 16.431 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.708 -7.907 15.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.606 -9.277 15.221 1.00 0.00 H new ATOM 340 N GLY A 27 -7.609 -8.640 11.294 1.00 0.00 N ATOM 341 CA GLY A 27 -8.029 -9.333 10.121 1.00 0.00 C ATOM 342 C GLY A 27 -6.920 -10.196 9.561 1.00 0.00 C ATOM 343 O GLY A 27 -6.836 -10.397 8.357 1.00 0.00 O ATOM 0 H GLY A 27 -7.594 -9.201 12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.893 -9.955 10.354 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.348 -8.614 9.367 1.00 0.00 H new ATOM 347 N PHE A 28 -6.046 -10.672 10.425 1.00 0.00 N ATOM 348 CA PHE A 28 -4.994 -11.586 10.020 1.00 0.00 C ATOM 349 C PHE A 28 -4.621 -12.456 11.207 1.00 0.00 C ATOM 350 O PHE A 28 -5.043 -12.185 12.341 1.00 0.00 O ATOM 351 CB PHE A 28 -3.735 -10.867 9.423 1.00 0.00 C ATOM 352 CG PHE A 28 -2.860 -10.093 10.398 1.00 0.00 C ATOM 353 CD1 PHE A 28 -3.139 -8.783 10.722 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.746 -10.694 10.979 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.337 -8.080 11.604 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.939 -9.996 11.863 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.238 -8.687 12.170 1.00 0.00 C ATOM 0 H PHE A 28 -6.043 -10.440 11.418 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.381 -12.201 9.208 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.115 -11.618 8.933 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.073 -10.178 8.649 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.997 -8.297 10.281 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.508 -11.719 10.737 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.573 -7.055 11.849 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.080 -10.476 12.309 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.610 -8.136 12.855 1.00 0.00 H new ATOM 367 N SER A 29 -3.884 -13.496 10.959 1.00 0.00 N ATOM 368 CA SER A 29 -3.458 -14.402 11.995 1.00 0.00 C ATOM 369 C SER A 29 -1.964 -14.649 11.871 1.00 0.00 C ATOM 370 O SER A 29 -1.446 -14.775 10.752 1.00 0.00 O ATOM 371 CB SER A 29 -4.246 -15.689 11.870 1.00 0.00 C ATOM 372 OG SER A 29 -5.645 -15.399 11.929 1.00 0.00 O ATOM 0 H SER A 29 -3.556 -13.746 10.026 1.00 0.00 H new ATOM 0 HA SER A 29 -3.645 -13.974 12.980 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.006 -16.185 10.930 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.972 -16.375 12.671 1.00 0.00 H new ATOM 0 HG SER A 29 -6.155 -16.232 11.847 1.00 0.00 H new ATOM 378 N VAL A 30 -1.285 -14.726 12.994 1.00 0.00 N ATOM 379 CA VAL A 30 0.159 -14.821 13.023 1.00 0.00 C ATOM 380 C VAL A 30 0.669 -15.949 13.915 1.00 0.00 C ATOM 381 O VAL A 30 0.416 -15.991 15.122 1.00 0.00 O ATOM 382 CB VAL A 30 0.790 -13.433 13.381 1.00 0.00 C ATOM 383 CG1 VAL A 30 2.088 -13.518 14.138 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.054 -12.671 12.127 1.00 0.00 C ATOM 0 H VAL A 30 -1.720 -14.725 13.917 1.00 0.00 H new ATOM 0 HA VAL A 30 0.489 -15.090 12.019 1.00 0.00 H new ATOM 0 HB VAL A 30 0.064 -12.941 14.028 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.455 -12.513 14.345 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.927 -14.046 15.078 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.823 -14.057 13.540 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.493 -11.705 12.374 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.744 -13.233 11.498 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.118 -12.517 11.591 1.00 0.00 H new ATOM 394 N GLN A 31 1.410 -16.840 13.307 1.00 0.00 N ATOM 395 CA GLN A 31 2.010 -17.961 13.979 1.00 0.00 C ATOM 396 C GLN A 31 3.521 -17.862 13.810 1.00 0.00 C ATOM 397 O GLN A 31 4.009 -17.644 12.710 1.00 0.00 O ATOM 398 CB GLN A 31 1.458 -19.296 13.444 1.00 0.00 C ATOM 399 CG GLN A 31 1.664 -19.520 11.952 1.00 0.00 C ATOM 400 CD GLN A 31 1.117 -20.849 11.478 1.00 0.00 C ATOM 401 OE1 GLN A 31 0.151 -21.377 12.025 1.00 0.00 O ATOM 402 NE2 GLN A 31 1.725 -21.404 10.475 1.00 0.00 N ATOM 0 H GLN A 31 1.617 -16.804 12.309 1.00 0.00 H new ATOM 0 HA GLN A 31 1.762 -17.936 15.040 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.931 -20.113 13.989 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.391 -19.345 13.661 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.181 -18.715 11.398 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.729 -19.469 11.725 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.524 -20.940 10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.404 -22.304 10.119 1.00 0.00 H new ATOM 411 N ASN A 32 4.247 -17.939 14.923 1.00 0.00 N ATOM 412 CA ASN A 32 5.732 -17.756 14.980 1.00 0.00 C ATOM 413 C ASN A 32 6.166 -16.345 14.587 1.00 0.00 C ATOM 414 O ASN A 32 7.349 -16.025 14.615 1.00 0.00 O ATOM 415 CB ASN A 32 6.487 -18.776 14.104 1.00 0.00 C ATOM 416 CG ASN A 32 6.373 -20.198 14.579 1.00 0.00 C ATOM 417 OD1 ASN A 32 6.265 -20.472 15.777 1.00 0.00 O ATOM 418 ND2 ASN A 32 6.410 -21.112 13.658 1.00 0.00 N ATOM 0 H ASN A 32 3.833 -18.132 15.835 1.00 0.00 H new ATOM 0 HA ASN A 32 5.996 -17.925 16.024 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.108 -18.714 13.084 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.541 -18.499 14.070 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.349 -22.097 13.915 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.500 -20.845 12.678 1.00 0.00 H new ATOM 425 N GLY A 33 5.216 -15.514 14.240 1.00 0.00 N ATOM 426 CA GLY A 33 5.515 -14.196 13.768 1.00 0.00 C ATOM 427 C GLY A 33 5.256 -14.102 12.286 1.00 0.00 C ATOM 428 O GLY A 33 5.375 -13.044 11.692 1.00 0.00 O ATOM 0 H GLY A 33 4.221 -15.735 14.278 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.905 -13.465 14.298 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.557 -13.954 13.978 1.00 0.00 H new ATOM 432 N ILE A 34 4.892 -15.218 11.690 1.00 0.00 N ATOM 433 CA ILE A 34 4.595 -15.268 10.285 1.00 0.00 C ATOM 434 C ILE A 34 3.076 -15.262 10.083 1.00 0.00 C ATOM 435 O ILE A 34 2.335 -15.993 10.764 1.00 0.00 O ATOM 436 CB ILE A 34 5.245 -16.508 9.534 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.800 -16.484 9.554 1.00 0.00 C ATOM 438 CG2 ILE A 34 4.783 -16.561 8.086 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.460 -16.771 10.887 1.00 0.00 C ATOM 0 H ILE A 34 4.795 -16.112 12.171 1.00 0.00 H new ATOM 0 HA ILE A 34 5.044 -14.381 9.839 1.00 0.00 H new ATOM 0 HB ILE A 34 4.911 -17.393 10.076 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.162 -17.213 8.829 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.131 -15.503 9.213 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.240 -17.417 7.590 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.698 -16.659 8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.080 -15.645 7.576 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.543 -16.726 10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.140 -16.029 11.619 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.172 -17.765 11.229 1.00 0.00 H new ATOM 451 N ILE A 35 2.632 -14.401 9.207 1.00 0.00 N ATOM 452 CA ILE A 35 1.247 -14.256 8.844 1.00 0.00 C ATOM 453 C ILE A 35 0.751 -15.499 8.108 1.00 0.00 C ATOM 454 O ILE A 35 1.207 -15.814 6.992 1.00 0.00 O ATOM 455 CB ILE A 35 1.074 -13.001 7.973 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.532 -11.787 8.792 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.395 -12.851 7.522 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.777 -10.546 7.997 1.00 0.00 C ATOM 0 H ILE A 35 3.247 -13.758 8.708 1.00 0.00 H new ATOM 0 HA ILE A 35 0.650 -14.144 9.749 1.00 0.00 H new ATOM 0 HB ILE A 35 1.678 -13.082 7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.778 -11.573 9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.449 -12.049 9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.497 -11.957 6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.689 -13.726 6.942 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.037 -12.764 8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.096 -9.744 8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.555 -10.735 7.258 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.858 -10.252 7.490 1.00 0.00 H new ATOM 470 N CYS A 36 -0.163 -16.186 8.744 1.00 0.00 N ATOM 471 CA CYS A 36 -0.714 -17.417 8.248 1.00 0.00 C ATOM 472 C CYS A 36 -1.871 -17.150 7.298 1.00 0.00 C ATOM 473 O CYS A 36 -1.894 -17.642 6.163 1.00 0.00 O ATOM 474 CB CYS A 36 -1.186 -18.275 9.431 1.00 0.00 C ATOM 475 SG CYS A 36 -1.989 -19.820 8.972 1.00 0.00 S ATOM 0 H CYS A 36 -0.552 -15.897 9.641 1.00 0.00 H new ATOM 0 HA CYS A 36 0.058 -17.951 7.694 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.327 -18.502 10.062 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.878 -17.687 10.034 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.343 -20.461 10.046 1.00 0.00 H new ATOM 481 N SER A 37 -2.805 -16.364 7.741 1.00 0.00 N ATOM 482 CA SER A 37 -3.986 -16.084 6.986 1.00 0.00 C ATOM 483 C SER A 37 -4.323 -14.609 7.075 1.00 0.00 C ATOM 484 O SER A 37 -3.976 -13.946 8.068 1.00 0.00 O ATOM 485 CB SER A 37 -5.132 -16.960 7.509 1.00 0.00 C ATOM 486 OG SER A 37 -5.220 -16.878 8.929 1.00 0.00 O ATOM 0 H SER A 37 -2.767 -15.895 8.646 1.00 0.00 H new ATOM 0 HA SER A 37 -3.824 -16.318 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.074 -16.641 7.062 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.971 -17.995 7.209 1.00 0.00 H new ATOM 0 HG SER A 37 -5.957 -17.442 9.244 1.00 0.00 H new ATOM 492 N LEU A 38 -4.955 -14.102 6.045 1.00 0.00 N ATOM 493 CA LEU A 38 -5.334 -12.716 5.960 1.00 0.00 C ATOM 494 C LEU A 38 -6.761 -12.608 5.468 1.00 0.00 C ATOM 495 O LEU A 38 -7.192 -13.393 4.609 1.00 0.00 O ATOM 496 CB LEU A 38 -4.392 -11.993 4.982 1.00 0.00 C ATOM 497 CG LEU A 38 -4.694 -10.530 4.669 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.598 -9.687 5.910 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.749 -10.016 3.617 1.00 0.00 C ATOM 0 H LEU A 38 -5.224 -14.652 5.229 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.260 -12.255 6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.381 -12.050 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.393 -12.546 4.043 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.714 -10.466 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.817 -8.648 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.316 -10.043 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.591 -9.757 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.976 -8.971 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.724 -10.098 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.862 -10.605 2.707 1.00 0.00 H new ATOM 511 N MET A 39 -7.486 -11.675 6.025 1.00 0.00 N ATOM 512 CA MET A 39 -8.818 -11.374 5.589 1.00 0.00 C ATOM 513 C MET A 39 -8.739 -10.430 4.413 1.00 0.00 C ATOM 514 O MET A 39 -8.266 -9.284 4.539 1.00 0.00 O ATOM 515 CB MET A 39 -9.641 -10.748 6.719 1.00 0.00 C ATOM 516 CG MET A 39 -11.046 -10.332 6.310 1.00 0.00 C ATOM 517 SD MET A 39 -11.961 -9.580 7.667 1.00 0.00 S ATOM 518 CE MET A 39 -13.506 -9.173 6.852 1.00 0.00 C ATOM 0 H MET A 39 -7.163 -11.098 6.802 1.00 0.00 H new ATOM 0 HA MET A 39 -9.316 -12.298 5.294 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.710 -11.461 7.541 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.111 -9.874 7.098 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.986 -9.627 5.481 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.590 -11.205 5.948 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.180 -8.699 7.565 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.312 -8.489 6.026 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.966 -10.084 6.469 1.00 0.00 H new ATOM 528 N ARG A 40 -9.188 -10.900 3.293 1.00 0.00 N ATOM 529 CA ARG A 40 -9.149 -10.154 2.074 1.00 0.00 C ATOM 530 C ARG A 40 -10.220 -9.073 2.145 1.00 0.00 C ATOM 531 O ARG A 40 -11.381 -9.354 2.457 1.00 0.00 O ATOM 532 CB ARG A 40 -9.344 -11.129 0.889 1.00 0.00 C ATOM 533 CG ARG A 40 -9.141 -10.554 -0.519 1.00 0.00 C ATOM 534 CD ARG A 40 -10.328 -9.753 -1.022 1.00 0.00 C ATOM 535 NE ARG A 40 -11.517 -10.601 -1.200 1.00 0.00 N ATOM 536 CZ ARG A 40 -12.388 -10.517 -2.210 1.00 0.00 C ATOM 537 NH1 ARG A 40 -12.201 -9.637 -3.196 1.00 0.00 N ATOM 538 NH2 ARG A 40 -13.428 -11.332 -2.239 1.00 0.00 N ATOM 0 H ARG A 40 -9.599 -11.829 3.197 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.190 -9.658 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.654 -11.963 1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.353 -11.537 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.257 -9.917 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.945 -11.372 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.553 -8.953 -0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.073 -9.280 -1.970 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.691 -11.314 -0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.388 -9.021 -3.183 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.871 -9.580 -3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.560 -12.017 -1.495 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.099 -11.276 -3.005 1.00 0.00 H new ATOM 552 N GLY A 41 -9.823 -7.855 1.882 1.00 0.00 N ATOM 553 CA GLY A 41 -10.719 -6.739 1.984 1.00 0.00 C ATOM 554 C GLY A 41 -10.736 -6.150 3.382 1.00 0.00 C ATOM 555 O GLY A 41 -11.379 -5.127 3.621 1.00 0.00 O ATOM 0 H GLY A 41 -8.875 -7.612 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.423 -5.970 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.726 -7.056 1.712 1.00 0.00 H new ATOM 559 N GLY A 42 -10.022 -6.778 4.303 1.00 0.00 N ATOM 560 CA GLY A 42 -10.001 -6.304 5.677 1.00 0.00 C ATOM 561 C GLY A 42 -8.952 -5.227 5.902 1.00 0.00 C ATOM 562 O GLY A 42 -8.122 -4.971 5.014 1.00 0.00 O ATOM 0 H GLY A 42 -9.456 -7.608 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.984 -5.911 5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.806 -7.143 6.345 1.00 0.00 H new ATOM 566 N ILE A 43 -8.945 -4.630 7.099 1.00 0.00 N ATOM 567 CA ILE A 43 -7.990 -3.562 7.438 1.00 0.00 C ATOM 568 C ILE A 43 -6.571 -4.030 7.385 1.00 0.00 C ATOM 569 O ILE A 43 -5.677 -3.255 7.100 1.00 0.00 O ATOM 570 CB ILE A 43 -8.258 -2.794 8.775 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.960 -3.651 9.840 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.988 -1.485 8.531 1.00 0.00 C ATOM 573 CD1 ILE A 43 -9.167 -2.925 11.164 1.00 0.00 C ATOM 0 H ILE A 43 -9.590 -4.867 7.853 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.163 -2.829 6.650 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.277 -2.555 9.187 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.928 -3.973 9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.372 -4.551 10.016 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.157 -0.980 9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.386 -0.848 7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.946 -1.687 8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.668 -3.589 11.869 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.201 -2.627 11.570 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.781 -2.039 11.001 1.00 0.00 H new ATOM 585 N ALA A 44 -6.366 -5.293 7.659 1.00 0.00 N ATOM 586 CA ALA A 44 -5.067 -5.868 7.586 1.00 0.00 C ATOM 587 C ALA A 44 -4.563 -5.860 6.141 1.00 0.00 C ATOM 588 O ALA A 44 -3.459 -5.384 5.865 1.00 0.00 O ATOM 589 CB ALA A 44 -5.090 -7.257 8.155 1.00 0.00 C ATOM 0 H ALA A 44 -7.101 -5.943 7.938 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.374 -5.272 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.092 -7.691 8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.408 -7.218 9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.787 -7.872 7.586 1.00 0.00 H new ATOM 595 N GLU A 45 -5.390 -6.319 5.212 1.00 0.00 N ATOM 596 CA GLU A 45 -4.996 -6.353 3.811 1.00 0.00 C ATOM 597 C GLU A 45 -4.814 -4.947 3.268 1.00 0.00 C ATOM 598 O GLU A 45 -3.828 -4.652 2.599 1.00 0.00 O ATOM 599 CB GLU A 45 -6.003 -7.114 2.953 1.00 0.00 C ATOM 600 CG GLU A 45 -5.617 -7.130 1.483 1.00 0.00 C ATOM 601 CD GLU A 45 -6.573 -7.882 0.629 1.00 0.00 C ATOM 602 OE1 GLU A 45 -7.673 -7.364 0.354 1.00 0.00 O ATOM 603 OE2 GLU A 45 -6.239 -8.992 0.202 1.00 0.00 O ATOM 0 H GLU A 45 -6.329 -6.670 5.400 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.044 -6.882 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.084 -8.139 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.987 -6.658 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.549 -6.104 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.625 -7.571 1.380 1.00 0.00 H new ATOM 610 N ARG A 46 -5.736 -4.077 3.607 1.00 0.00 N ATOM 611 CA ARG A 46 -5.705 -2.695 3.146 1.00 0.00 C ATOM 612 C ARG A 46 -4.589 -1.924 3.862 1.00 0.00 C ATOM 613 O ARG A 46 -4.146 -0.865 3.412 1.00 0.00 O ATOM 614 CB ARG A 46 -7.085 -2.063 3.349 1.00 0.00 C ATOM 615 CG ARG A 46 -8.156 -2.913 2.686 1.00 0.00 C ATOM 616 CD ARG A 46 -9.566 -2.416 2.896 1.00 0.00 C ATOM 617 NE ARG A 46 -9.920 -1.266 2.065 1.00 0.00 N ATOM 618 CZ ARG A 46 -10.357 -1.360 0.782 1.00 0.00 C ATOM 619 NH1 ARG A 46 -10.231 -2.505 0.093 1.00 0.00 N ATOM 620 NH2 ARG A 46 -10.878 -0.310 0.181 1.00 0.00 N ATOM 0 H ARG A 46 -6.530 -4.299 4.208 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.478 -2.657 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.295 -1.966 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.097 -1.057 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.955 -2.958 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.082 -3.931 3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.262 -3.229 2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.693 -2.147 3.945 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.833 -0.336 2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.802 -3.320 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.564 -2.560 -0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.954 0.577 0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.205 -0.384 -0.782 1.00 0.00 H new ATOM 634 N GLY A 47 -4.130 -2.497 4.967 1.00 0.00 N ATOM 635 CA GLY A 47 -3.023 -1.965 5.718 1.00 0.00 C ATOM 636 C GLY A 47 -1.693 -2.399 5.127 1.00 0.00 C ATOM 637 O GLY A 47 -0.655 -1.768 5.369 1.00 0.00 O ATOM 0 H GLY A 47 -4.525 -3.350 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.079 -0.877 5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.089 -2.300 6.753 1.00 0.00 H new ATOM 641 N GLY A 48 -1.719 -3.472 4.350 1.00 0.00 N ATOM 642 CA GLY A 48 -0.520 -3.920 3.690 1.00 0.00 C ATOM 643 C GLY A 48 -0.010 -5.244 4.202 1.00 0.00 C ATOM 644 O GLY A 48 1.059 -5.694 3.786 1.00 0.00 O ATOM 0 H GLY A 48 -2.549 -4.036 4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.713 -4.003 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.258 -3.167 3.816 1.00 0.00 H new ATOM 648 N VAL A 49 -0.763 -5.865 5.107 1.00 0.00 N ATOM 649 CA VAL A 49 -0.407 -7.165 5.679 1.00 0.00 C ATOM 650 C VAL A 49 -0.425 -8.215 4.557 1.00 0.00 C ATOM 651 O VAL A 49 -1.258 -8.128 3.650 1.00 0.00 O ATOM 652 CB VAL A 49 -1.430 -7.554 6.792 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.220 -8.952 7.318 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.405 -6.575 7.955 1.00 0.00 C ATOM 0 H VAL A 49 -1.638 -5.482 5.466 1.00 0.00 H new ATOM 0 HA VAL A 49 0.587 -7.116 6.124 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.407 -7.513 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.960 -9.166 8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.328 -9.667 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.220 -9.034 7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.132 -6.884 8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.409 -6.561 8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.656 -5.577 7.596 1.00 0.00 H new ATOM 664 N ARG A 50 0.507 -9.164 4.595 1.00 0.00 N ATOM 665 CA ARG A 50 0.627 -10.190 3.558 1.00 0.00 C ATOM 666 C ARG A 50 0.951 -11.515 4.159 1.00 0.00 C ATOM 667 O ARG A 50 1.768 -11.619 5.064 1.00 0.00 O ATOM 668 CB ARG A 50 1.698 -9.816 2.528 1.00 0.00 C ATOM 669 CG ARG A 50 1.327 -8.636 1.675 1.00 0.00 C ATOM 670 CD ARG A 50 0.248 -8.993 0.677 1.00 0.00 C ATOM 671 NE ARG A 50 -0.350 -7.805 0.096 1.00 0.00 N ATOM 672 CZ ARG A 50 -0.610 -7.597 -1.188 1.00 0.00 C ATOM 673 NH1 ARG A 50 -0.160 -8.422 -2.118 1.00 0.00 N ATOM 674 NH2 ARG A 50 -1.298 -6.523 -1.534 1.00 0.00 N ATOM 0 H ARG A 50 1.198 -9.245 5.341 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.336 -10.255 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.630 -9.598 3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.886 -10.675 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.982 -7.820 2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.209 -8.276 1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.672 -9.612 -0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.523 -9.587 1.169 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.595 -7.054 0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.397 -9.234 -1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.370 -8.246 -3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.619 -5.871 -0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.508 -6.346 -2.516 1.00 0.00 H new ATOM 688 N VAL A 51 0.336 -12.505 3.626 1.00 0.00 N ATOM 689 CA VAL A 51 0.488 -13.869 4.060 1.00 0.00 C ATOM 690 C VAL A 51 1.819 -14.403 3.578 1.00 0.00 C ATOM 691 O VAL A 51 2.209 -14.172 2.429 1.00 0.00 O ATOM 692 CB VAL A 51 -0.669 -14.716 3.506 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.434 -16.203 3.683 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.954 -14.333 4.185 1.00 0.00 C ATOM 0 H VAL A 51 -0.313 -12.398 2.847 1.00 0.00 H new ATOM 0 HA VAL A 51 0.464 -13.917 5.149 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.730 -14.514 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.280 -16.756 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.476 -16.493 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.329 -16.431 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.770 -14.937 3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.864 -14.505 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.161 -13.279 4.003 1.00 0.00 H new ATOM 704 N GLY A 52 2.515 -15.102 4.446 1.00 0.00 N ATOM 705 CA GLY A 52 3.826 -15.595 4.106 1.00 0.00 C ATOM 706 C GLY A 52 4.881 -14.591 4.478 1.00 0.00 C ATOM 707 O GLY A 52 6.040 -14.696 4.079 1.00 0.00 O ATOM 0 H GLY A 52 2.196 -15.339 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.013 -16.536 4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.876 -15.804 3.037 1.00 0.00 H new ATOM 711 N HIS A 53 4.466 -13.589 5.214 1.00 0.00 N ATOM 712 CA HIS A 53 5.359 -12.573 5.699 1.00 0.00 C ATOM 713 C HIS A 53 5.649 -12.766 7.155 1.00 0.00 C ATOM 714 O HIS A 53 4.780 -13.149 7.926 1.00 0.00 O ATOM 715 CB HIS A 53 4.827 -11.165 5.464 1.00 0.00 C ATOM 716 CG HIS A 53 5.088 -10.604 4.105 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.351 -9.269 3.883 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.088 -11.187 2.891 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.492 -9.063 2.595 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.338 -10.208 1.969 1.00 0.00 N ATOM 0 H HIS A 53 3.494 -13.457 5.493 1.00 0.00 H new ATOM 0 HA HIS A 53 6.282 -12.678 5.128 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.751 -11.167 5.638 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.269 -10.499 6.205 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.424 -8.554 4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.921 -12.234 2.684 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.700 -8.112 2.128 1.00 0.00 H new ATOM 729 N ARG A 54 6.857 -12.474 7.510 1.00 0.00 N ATOM 730 CA ARG A 54 7.359 -12.604 8.854 1.00 0.00 C ATOM 731 C ARG A 54 7.425 -11.228 9.446 1.00 0.00 C ATOM 732 O ARG A 54 8.153 -10.373 8.935 1.00 0.00 O ATOM 733 CB ARG A 54 8.752 -13.212 8.766 1.00 0.00 C ATOM 734 CG ARG A 54 9.503 -13.432 10.061 1.00 0.00 C ATOM 735 CD ARG A 54 10.888 -14.004 9.751 1.00 0.00 C ATOM 736 NE ARG A 54 11.646 -14.304 10.951 1.00 0.00 N ATOM 737 CZ ARG A 54 12.950 -14.626 11.014 1.00 0.00 C ATOM 738 NH1 ARG A 54 13.721 -14.674 9.906 1.00 0.00 N ATOM 739 NH2 ARG A 54 13.469 -14.905 12.204 1.00 0.00 N ATOM 0 H ARG A 54 7.554 -12.124 6.853 1.00 0.00 H new ATOM 0 HA ARG A 54 6.724 -13.237 9.474 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.668 -14.173 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.360 -12.568 8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.598 -12.492 10.604 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.950 -14.116 10.704 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.778 -14.912 9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.444 -13.291 9.142 1.00 0.00 H new ATOM 0 HE ARG A 54 11.139 -14.267 11.835 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.317 -14.463 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.708 -14.921 9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.882 -14.872 13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.455 -15.153 12.285 1.00 0.00 H new ATOM 753 N ILE A 55 6.643 -10.986 10.448 1.00 0.00 N ATOM 754 CA ILE A 55 6.629 -9.697 11.084 1.00 0.00 C ATOM 755 C ILE A 55 7.833 -9.552 11.989 1.00 0.00 C ATOM 756 O ILE A 55 8.102 -10.411 12.836 1.00 0.00 O ATOM 757 CB ILE A 55 5.354 -9.457 11.910 1.00 0.00 C ATOM 758 CG1 ILE A 55 4.107 -9.746 11.085 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.326 -8.017 12.408 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.846 -9.432 11.821 1.00 0.00 C ATOM 0 H ILE A 55 5.999 -11.666 10.850 1.00 0.00 H new ATOM 0 HA ILE A 55 6.656 -8.955 10.286 1.00 0.00 H new ATOM 0 HB ILE A 55 5.363 -10.136 12.762 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.141 -9.163 10.165 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.103 -10.797 10.796 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.421 -7.852 12.993 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.200 -7.831 13.032 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.337 -7.337 11.556 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.989 -9.657 11.186 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.794 -10.035 12.728 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.833 -8.375 12.087 1.00 0.00 H new ATOM 772 N ILE A 56 8.567 -8.492 11.783 1.00 0.00 N ATOM 773 CA ILE A 56 9.726 -8.211 12.554 1.00 0.00 C ATOM 774 C ILE A 56 9.545 -7.005 13.494 1.00 0.00 C ATOM 775 O ILE A 56 10.396 -6.744 14.331 1.00 0.00 O ATOM 776 CB ILE A 56 11.047 -8.153 11.682 1.00 0.00 C ATOM 777 CG1 ILE A 56 11.073 -6.989 10.678 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.225 -9.445 10.914 1.00 0.00 C ATOM 779 CD1 ILE A 56 11.622 -5.688 11.217 1.00 0.00 C ATOM 0 H ILE A 56 8.366 -7.797 11.064 1.00 0.00 H new ATOM 0 HA ILE A 56 9.863 -9.065 13.217 1.00 0.00 H new ATOM 0 HB ILE A 56 11.860 -7.998 12.391 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.669 -7.287 9.816 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.058 -6.816 10.320 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.137 -9.392 10.319 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.297 -10.277 11.614 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.370 -9.597 10.255 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.598 -4.931 10.433 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.014 -5.358 12.059 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.650 -5.836 11.547 1.00 0.00 H new ATOM 791 N GLU A 57 8.406 -6.313 13.402 1.00 0.00 N ATOM 792 CA GLU A 57 8.132 -5.156 14.287 1.00 0.00 C ATOM 793 C GLU A 57 6.674 -4.881 14.278 1.00 0.00 C ATOM 794 O GLU A 57 6.032 -5.086 13.264 1.00 0.00 O ATOM 795 CB GLU A 57 8.860 -3.870 13.843 1.00 0.00 C ATOM 796 CG GLU A 57 8.685 -2.703 14.820 1.00 0.00 C ATOM 797 CD GLU A 57 8.926 -1.342 14.209 1.00 0.00 C ATOM 798 OE1 GLU A 57 10.081 -1.011 13.887 1.00 0.00 O ATOM 799 OE2 GLU A 57 7.938 -0.573 14.047 1.00 0.00 O ATOM 0 H GLU A 57 7.662 -6.522 12.736 1.00 0.00 H new ATOM 0 HA GLU A 57 8.495 -5.421 15.280 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.923 -4.084 13.731 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.489 -3.572 12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.674 -2.733 15.226 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.369 -2.839 15.657 1.00 0.00 H new ATOM 806 N ILE A 58 6.161 -4.453 15.408 1.00 0.00 N ATOM 807 CA ILE A 58 4.786 -4.071 15.569 1.00 0.00 C ATOM 808 C ILE A 58 4.701 -2.922 16.545 1.00 0.00 C ATOM 809 O ILE A 58 5.189 -3.027 17.675 1.00 0.00 O ATOM 810 CB ILE A 58 3.927 -5.209 16.148 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.911 -6.410 15.220 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.490 -4.711 16.390 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.425 -7.654 15.875 1.00 0.00 C ATOM 0 H ILE A 58 6.709 -4.360 16.263 1.00 0.00 H new ATOM 0 HA ILE A 58 4.413 -3.805 14.580 1.00 0.00 H new ATOM 0 HB ILE A 58 4.367 -5.519 17.096 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.277 -6.188 14.361 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.918 -6.578 14.838 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.888 -5.522 16.800 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.507 -3.880 17.095 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.057 -4.378 15.447 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.439 -8.473 15.156 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.073 -7.899 16.717 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.407 -7.503 16.233 1.00 0.00 H new ATOM 825 N ASN A 59 4.164 -1.818 16.074 1.00 0.00 N ATOM 826 CA ASN A 59 3.777 -0.668 16.893 1.00 0.00 C ATOM 827 C ASN A 59 4.977 -0.068 17.667 1.00 0.00 C ATOM 828 O ASN A 59 4.813 0.573 18.716 1.00 0.00 O ATOM 829 CB ASN A 59 2.630 -1.111 17.842 1.00 0.00 C ATOM 830 CG ASN A 59 1.802 0.028 18.396 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.079 0.564 19.460 1.00 0.00 O ATOM 832 ND2 ASN A 59 0.756 0.399 17.679 1.00 0.00 N ATOM 0 H ASN A 59 3.975 -1.682 15.081 1.00 0.00 H new ATOM 0 HA ASN A 59 3.424 0.135 16.246 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.973 -1.794 17.304 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.058 -1.671 18.674 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.153 1.152 18.009 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.552 -0.068 16.795 1.00 0.00 H new ATOM 839 N GLY A 60 6.174 -0.256 17.141 1.00 0.00 N ATOM 840 CA GLY A 60 7.334 0.324 17.770 1.00 0.00 C ATOM 841 C GLY A 60 8.258 -0.682 18.413 1.00 0.00 C ATOM 842 O GLY A 60 9.354 -0.321 18.862 1.00 0.00 O ATOM 0 H GLY A 60 6.361 -0.796 16.296 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.893 0.889 17.024 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.005 1.035 18.528 1.00 0.00 H new ATOM 846 N GLN A 61 7.855 -1.933 18.475 1.00 0.00 N ATOM 847 CA GLN A 61 8.708 -2.936 19.071 1.00 0.00 C ATOM 848 C GLN A 61 8.953 -4.050 18.118 1.00 0.00 C ATOM 849 O GLN A 61 8.033 -4.500 17.421 1.00 0.00 O ATOM 850 CB GLN A 61 8.193 -3.456 20.431 1.00 0.00 C ATOM 851 CG GLN A 61 6.836 -4.137 20.410 1.00 0.00 C ATOM 852 CD GLN A 61 6.484 -4.743 21.755 1.00 0.00 C ATOM 853 OE1 GLN A 61 5.879 -4.091 22.612 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.867 -5.982 21.965 1.00 0.00 N ATOM 0 H GLN A 61 6.959 -2.275 18.127 1.00 0.00 H new ATOM 0 HA GLN A 61 9.657 -2.445 19.287 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.924 -4.159 20.830 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.146 -2.617 21.125 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.072 -3.413 20.127 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.834 -4.917 19.649 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.365 -6.492 21.236 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.666 -6.434 22.857 1.00 0.00 H new ATOM 863 N SER A 62 10.185 -4.462 18.038 1.00 0.00 N ATOM 864 CA SER A 62 10.553 -5.547 17.208 1.00 0.00 C ATOM 865 C SER A 62 10.052 -6.790 17.908 1.00 0.00 C ATOM 866 O SER A 62 10.393 -7.039 19.064 1.00 0.00 O ATOM 867 CB SER A 62 12.080 -5.574 17.010 1.00 0.00 C ATOM 868 OG SER A 62 12.468 -6.540 16.030 1.00 0.00 O ATOM 0 H SER A 62 10.960 -4.045 18.554 1.00 0.00 H new ATOM 0 HA SER A 62 10.120 -5.468 16.211 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.425 -4.586 16.704 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.566 -5.802 17.959 1.00 0.00 H new ATOM 0 HG SER A 62 11.845 -6.508 15.274 1.00 0.00 H new ATOM 874 N VAL A 63 9.193 -7.523 17.252 1.00 0.00 N ATOM 875 CA VAL A 63 8.566 -8.653 17.860 1.00 0.00 C ATOM 876 C VAL A 63 9.067 -9.935 17.248 1.00 0.00 C ATOM 877 O VAL A 63 8.476 -10.994 17.410 1.00 0.00 O ATOM 878 CB VAL A 63 7.048 -8.553 17.681 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.527 -7.260 18.329 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.706 -8.602 16.201 1.00 0.00 C ATOM 0 H VAL A 63 8.913 -7.351 16.286 1.00 0.00 H new ATOM 0 HA VAL A 63 8.812 -8.659 18.922 1.00 0.00 H new ATOM 0 HB VAL A 63 6.564 -9.396 18.175 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.447 -7.197 18.197 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.763 -7.266 19.393 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.001 -6.400 17.857 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.626 -8.531 16.075 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.187 -7.769 15.689 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.060 -9.542 15.777 1.00 0.00 H new ATOM 890 N VAL A 64 10.197 -9.853 16.615 1.00 0.00 N ATOM 891 CA VAL A 64 10.717 -10.974 15.897 1.00 0.00 C ATOM 892 C VAL A 64 11.369 -11.969 16.863 1.00 0.00 C ATOM 893 O VAL A 64 11.587 -13.139 16.537 1.00 0.00 O ATOM 894 CB VAL A 64 11.681 -10.520 14.785 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.049 -10.153 15.296 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.717 -11.502 13.652 1.00 0.00 C ATOM 0 H VAL A 64 10.779 -9.016 16.582 1.00 0.00 H new ATOM 0 HA VAL A 64 9.893 -11.489 15.404 1.00 0.00 H new ATOM 0 HB VAL A 64 11.277 -9.591 14.382 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.678 -9.842 14.462 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.963 -9.334 16.010 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.498 -11.017 15.787 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.407 -11.149 12.886 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.050 -12.472 14.022 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.719 -11.600 13.224 1.00 0.00 H new ATOM 906 N ALA A 65 11.676 -11.487 18.047 1.00 0.00 N ATOM 907 CA ALA A 65 12.214 -12.300 19.103 1.00 0.00 C ATOM 908 C ALA A 65 11.222 -12.340 20.273 1.00 0.00 C ATOM 909 O ALA A 65 11.549 -12.784 21.381 1.00 0.00 O ATOM 910 CB ALA A 65 13.554 -11.746 19.535 1.00 0.00 C ATOM 0 H ALA A 65 11.556 -10.507 18.302 1.00 0.00 H new ATOM 0 HA ALA A 65 12.366 -13.320 18.750 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.962 -12.363 20.336 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.240 -11.751 18.688 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.427 -10.724 19.893 1.00 0.00 H new ATOM 916 N THR A 66 10.024 -11.879 20.012 1.00 0.00 N ATOM 917 CA THR A 66 8.964 -11.843 20.947 1.00 0.00 C ATOM 918 C THR A 66 8.183 -13.147 20.805 1.00 0.00 C ATOM 919 O THR A 66 8.007 -13.631 19.687 1.00 0.00 O ATOM 920 CB THR A 66 8.080 -10.622 20.604 1.00 0.00 C ATOM 921 OG1 THR A 66 8.870 -9.441 20.728 1.00 0.00 O ATOM 922 CG2 THR A 66 6.866 -10.496 21.486 1.00 0.00 C ATOM 0 H THR A 66 9.766 -11.506 19.098 1.00 0.00 H new ATOM 0 HA THR A 66 9.315 -11.748 21.975 1.00 0.00 H new ATOM 0 HB THR A 66 7.716 -10.761 19.586 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.285 -8.672 20.894 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.291 -9.619 21.190 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.247 -11.387 21.383 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.180 -10.391 22.524 1.00 0.00 H new ATOM 930 N PRO A 67 7.820 -13.795 21.920 1.00 0.00 N ATOM 931 CA PRO A 67 7.024 -15.012 21.880 1.00 0.00 C ATOM 932 C PRO A 67 5.685 -14.794 21.160 1.00 0.00 C ATOM 933 O PRO A 67 5.104 -13.694 21.215 1.00 0.00 O ATOM 934 CB PRO A 67 6.795 -15.369 23.356 1.00 0.00 C ATOM 935 CG PRO A 67 7.229 -14.175 24.140 1.00 0.00 C ATOM 936 CD PRO A 67 8.202 -13.425 23.290 1.00 0.00 C ATOM 0 HA PRO A 67 7.528 -15.805 21.327 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.746 -15.599 23.544 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.370 -16.251 23.638 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.374 -13.548 24.393 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.691 -14.478 25.080 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.129 -12.349 23.450 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.231 -13.711 23.511 1.00 0.00 H new ATOM 944 N HIS A 68 5.208 -15.849 20.507 1.00 0.00 N ATOM 945 CA HIS A 68 3.967 -15.850 19.715 1.00 0.00 C ATOM 946 C HIS A 68 2.794 -15.230 20.458 1.00 0.00 C ATOM 947 O HIS A 68 2.092 -14.376 19.918 1.00 0.00 O ATOM 948 CB HIS A 68 3.639 -17.300 19.259 1.00 0.00 C ATOM 949 CG HIS A 68 2.185 -17.579 18.906 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.599 -17.246 17.705 1.00 0.00 N ATOM 951 CD2 HIS A 68 1.212 -18.183 19.632 1.00 0.00 C ATOM 952 CE1 HIS A 68 0.348 -17.640 17.714 1.00 0.00 C ATOM 953 NE2 HIS A 68 0.093 -18.204 18.864 1.00 0.00 N ATOM 0 H HIS A 68 5.680 -16.753 20.509 1.00 0.00 H new ATOM 0 HA HIS A 68 4.134 -15.224 18.839 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.254 -17.533 18.390 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.937 -17.985 20.053 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.309 -18.574 20.634 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.356 -17.518 16.904 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.806 -18.598 19.141 1.00 0.00 H new ATOM 962 N GLU A 69 2.585 -15.680 21.665 1.00 0.00 N ATOM 963 CA GLU A 69 1.483 -15.235 22.488 1.00 0.00 C ATOM 964 C GLU A 69 1.583 -13.745 22.767 1.00 0.00 C ATOM 965 O GLU A 69 0.575 -13.048 22.745 1.00 0.00 O ATOM 966 CB GLU A 69 1.474 -16.028 23.771 1.00 0.00 C ATOM 967 CG GLU A 69 0.238 -15.867 24.620 1.00 0.00 C ATOM 968 CD GLU A 69 0.317 -16.688 25.870 1.00 0.00 C ATOM 969 OE1 GLU A 69 -0.103 -17.867 25.855 1.00 0.00 O ATOM 970 OE2 GLU A 69 0.814 -16.191 26.894 1.00 0.00 O ATOM 0 H GLU A 69 3.181 -16.375 22.115 1.00 0.00 H new ATOM 0 HA GLU A 69 0.546 -15.403 21.958 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.592 -17.084 23.527 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.342 -15.739 24.364 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.110 -14.817 24.881 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.640 -16.162 24.045 1.00 0.00 H new ATOM 977 N LYS A 70 2.803 -13.249 22.996 1.00 0.00 N ATOM 978 CA LYS A 70 2.989 -11.831 23.197 1.00 0.00 C ATOM 979 C LYS A 70 2.616 -11.076 21.977 1.00 0.00 C ATOM 980 O LYS A 70 1.849 -10.139 22.059 1.00 0.00 O ATOM 981 CB LYS A 70 4.398 -11.444 23.591 1.00 0.00 C ATOM 982 CG LYS A 70 4.524 -11.061 25.041 1.00 0.00 C ATOM 983 CD LYS A 70 5.721 -10.176 25.243 1.00 0.00 C ATOM 984 CE LYS A 70 5.881 -9.762 26.692 1.00 0.00 C ATOM 985 NZ LYS A 70 4.704 -9.020 27.225 1.00 0.00 N ATOM 0 H LYS A 70 3.656 -13.807 23.044 1.00 0.00 H new ATOM 0 HA LYS A 70 2.335 -11.574 24.030 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.069 -12.278 23.382 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.725 -10.609 22.972 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.622 -10.544 25.368 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.618 -11.957 25.654 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.619 -10.699 24.914 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.624 -9.287 24.620 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.048 -10.651 27.301 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.770 -9.138 26.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.938 -8.620 28.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.453 -8.252 26.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.898 -9.670 27.321 1.00 0.00 H new ATOM 999 N ILE A 71 3.143 -11.512 20.843 1.00 0.00 N ATOM 1000 CA ILE A 71 2.876 -10.891 19.549 1.00 0.00 C ATOM 1001 C ILE A 71 1.368 -10.740 19.347 1.00 0.00 C ATOM 1002 O ILE A 71 0.875 -9.660 19.015 1.00 0.00 O ATOM 1003 CB ILE A 71 3.471 -11.739 18.382 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.976 -11.945 18.581 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.221 -11.056 17.043 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.646 -12.771 17.496 1.00 0.00 C ATOM 0 H ILE A 71 3.773 -12.313 20.792 1.00 0.00 H new ATOM 0 HA ILE A 71 3.352 -9.910 19.542 1.00 0.00 H new ATOM 0 HB ILE A 71 2.976 -12.710 18.383 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.460 -10.970 18.629 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.140 -12.430 19.543 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.643 -11.662 16.241 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.148 -10.943 16.887 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.693 -10.073 17.042 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.709 -12.867 17.716 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.192 -13.761 17.460 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.518 -12.278 16.532 1.00 0.00 H new ATOM 1018 N VAL A 72 0.642 -11.801 19.651 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.800 -11.805 19.495 1.00 0.00 C ATOM 1020 C VAL A 72 -1.471 -10.901 20.542 1.00 0.00 C ATOM 1021 O VAL A 72 -2.442 -10.189 20.239 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.367 -13.251 19.578 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -2.886 -13.262 19.502 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.789 -14.104 18.463 1.00 0.00 C ATOM 0 H VAL A 72 1.030 -12.674 20.009 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.027 -11.407 18.506 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.075 -13.666 20.543 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.246 -14.289 19.563 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.296 -12.684 20.330 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.206 -12.821 18.558 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.193 -15.114 18.531 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.055 -13.671 17.499 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.296 -14.140 18.558 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.908 -10.865 21.740 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.489 -10.106 22.838 1.00 0.00 C ATOM 1036 C HIS A 73 -1.331 -8.629 22.558 1.00 0.00 C ATOM 1037 O HIS A 73 -2.254 -7.836 22.768 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.810 -10.480 24.177 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.410 -9.813 25.390 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.348 -10.413 26.191 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -1.184 -8.597 25.938 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -2.674 -9.601 27.174 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -1.979 -8.492 27.043 1.00 0.00 N ATOM 0 H HIS A 73 -0.045 -11.355 21.978 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.549 -10.347 22.921 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.864 -11.561 24.308 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.247 -10.219 24.120 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.500 -7.847 25.569 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.390 -9.810 27.955 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.026 -7.685 27.665 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.167 -8.284 22.076 1.00 0.00 N ATOM 1053 CA ILE A 74 0.180 -6.950 21.726 1.00 0.00 C ATOM 1054 C ILE A 74 -0.680 -6.479 20.567 1.00 0.00 C ATOM 1055 O ILE A 74 -1.307 -5.421 20.658 1.00 0.00 O ATOM 1056 CB ILE A 74 1.674 -6.886 21.390 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.463 -7.162 22.671 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.046 -5.530 20.805 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.826 -7.716 22.427 1.00 0.00 C ATOM 0 H ILE A 74 0.585 -8.954 21.914 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.007 -6.281 22.566 1.00 0.00 H new ATOM 0 HB ILE A 74 1.915 -7.635 20.636 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.553 -6.236 23.239 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.901 -7.862 23.290 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.112 -5.512 20.576 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.476 -5.359 19.892 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.817 -4.747 21.528 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.326 -7.886 23.381 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.744 -8.659 21.887 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.406 -7.008 21.835 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.750 -7.296 19.510 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.583 -7.003 18.333 1.00 0.00 C ATOM 1073 C LEU A 75 -3.022 -6.776 18.699 1.00 0.00 C ATOM 1074 O LEU A 75 -3.597 -5.761 18.345 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.510 -8.120 17.294 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.260 -8.157 16.439 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.254 -9.404 15.564 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.192 -6.900 15.578 1.00 0.00 C ATOM 0 H LEU A 75 -0.235 -8.174 19.444 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.178 -6.086 17.905 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.600 -9.075 17.811 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.374 -8.032 16.635 1.00 0.00 H new ATOM 0 HG LEU A 75 0.616 -8.191 17.087 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.650 -9.417 14.955 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.279 -10.292 16.196 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.129 -9.397 14.914 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.708 -6.928 14.964 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.070 -6.852 14.934 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.165 -6.020 16.221 1.00 0.00 H new ATOM 1090 N SER A 76 -3.586 -7.703 19.429 1.00 0.00 N ATOM 1091 CA SER A 76 -4.976 -7.657 19.811 1.00 0.00 C ATOM 1092 C SER A 76 -5.328 -6.393 20.618 1.00 0.00 C ATOM 1093 O SER A 76 -6.463 -5.966 20.609 1.00 0.00 O ATOM 1094 CB SER A 76 -5.397 -8.946 20.554 1.00 0.00 C ATOM 1095 OG SER A 76 -6.818 -9.024 20.707 1.00 0.00 O ATOM 0 H SER A 76 -3.088 -8.521 19.780 1.00 0.00 H new ATOM 0 HA SER A 76 -5.554 -7.601 18.888 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.041 -9.817 20.004 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.923 -8.973 21.535 1.00 0.00 H new ATOM 0 HG SER A 76 -7.051 -9.851 21.179 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.357 -5.809 21.307 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.630 -4.658 22.179 1.00 0.00 C ATOM 1103 C ASN A 77 -4.029 -3.335 21.669 1.00 0.00 C ATOM 1104 O ASN A 77 -4.122 -2.306 22.339 1.00 0.00 O ATOM 1105 CB ASN A 77 -4.156 -4.945 23.616 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.984 -6.019 24.311 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.973 -5.723 24.987 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.589 -7.265 24.169 1.00 0.00 N ATOM 0 H ASN A 77 -3.381 -6.104 21.285 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.712 -4.523 22.169 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.112 -5.257 23.593 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.201 -4.025 24.199 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.104 -8.018 24.624 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.767 -7.478 23.604 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.424 -3.338 20.497 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.825 -2.110 19.957 1.00 0.00 C ATOM 1117 C ALA A 78 -3.757 -1.451 18.951 1.00 0.00 C ATOM 1118 O ALA A 78 -4.183 -2.089 18.023 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.453 -2.404 19.323 1.00 0.00 C ATOM 0 H ALA A 78 -3.329 -4.159 19.900 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.674 -1.415 20.783 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.028 -1.480 18.930 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.785 -2.818 20.078 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.573 -3.122 18.512 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.081 -0.182 19.136 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.959 0.515 18.194 1.00 0.00 C ATOM 1127 C VAL A 79 -4.176 1.683 17.567 1.00 0.00 C ATOM 1128 O VAL A 79 -3.039 1.947 17.975 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.306 1.041 18.867 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.798 0.147 19.960 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.279 2.482 19.309 1.00 0.00 C ATOM 0 H VAL A 79 -3.757 0.386 19.918 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.266 -0.198 17.428 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.028 1.003 18.052 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.717 0.557 20.379 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.995 -0.846 19.557 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.042 0.078 20.742 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.239 2.744 19.753 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.488 2.622 20.046 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.090 3.123 18.448 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.767 2.360 16.598 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.132 3.488 15.958 1.00 0.00 C ATOM 1143 C GLY A 80 -3.525 3.091 14.649 1.00 0.00 C ATOM 1144 O GLY A 80 -3.983 2.121 14.023 1.00 0.00 O ATOM 0 H GLY A 80 -5.696 2.141 16.237 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.864 4.279 15.798 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.361 3.895 16.612 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.534 3.834 14.218 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.799 3.513 13.028 1.00 0.00 C ATOM 1150 C GLU A 81 -0.662 2.623 13.473 1.00 0.00 C ATOM 1151 O GLU A 81 0.285 3.094 14.141 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.225 4.761 12.323 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.183 5.916 12.072 1.00 0.00 C ATOM 1154 CD GLU A 81 -2.392 6.783 13.291 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -1.490 7.564 13.617 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -3.444 6.692 13.951 1.00 0.00 O ATOM 0 H GLU A 81 -2.217 4.682 14.688 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.461 3.034 12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.393 5.135 12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.813 4.448 11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.798 6.530 11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.144 5.519 11.745 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.719 1.367 13.129 1.00 0.00 N ATOM 1164 CA ILE A 82 0.201 0.431 13.672 1.00 0.00 C ATOM 1165 C ILE A 82 1.219 0.082 12.631 1.00 0.00 C ATOM 1166 O ILE A 82 0.870 -0.422 11.559 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.579 -0.813 14.130 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.659 -0.401 15.150 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.352 -1.875 14.716 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.696 -1.463 15.426 1.00 0.00 C ATOM 0 H ILE A 82 -1.396 0.976 12.474 1.00 0.00 H new ATOM 0 HA ILE A 82 0.724 0.853 14.530 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.063 -1.257 13.260 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.172 -0.134 16.088 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.162 0.495 14.786 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.234 -2.739 15.029 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.076 -2.181 13.961 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.878 -1.462 15.577 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.416 -1.088 16.154 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.214 -1.715 14.501 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.208 -2.353 15.823 1.00 0.00 H new ATOM 1182 N HIS A 83 2.464 0.396 12.923 1.00 0.00 N ATOM 1183 CA HIS A 83 3.553 0.112 12.020 1.00 0.00 C ATOM 1184 C HIS A 83 3.987 -1.278 12.274 1.00 0.00 C ATOM 1185 O HIS A 83 4.204 -1.652 13.414 1.00 0.00 O ATOM 1186 CB HIS A 83 4.806 0.981 12.273 1.00 0.00 C ATOM 1187 CG HIS A 83 4.621 2.456 12.382 1.00 0.00 C ATOM 1188 ND1 HIS A 83 5.107 3.170 13.437 1.00 0.00 N ATOM 1189 CD2 HIS A 83 4.051 3.355 11.561 1.00 0.00 C ATOM 1190 CE1 HIS A 83 4.839 4.435 13.275 1.00 0.00 C ATOM 1191 NE2 HIS A 83 4.199 4.581 12.143 1.00 0.00 N ATOM 0 H HIS A 83 2.746 0.853 13.790 1.00 0.00 H new ATOM 0 HA HIS A 83 3.186 0.302 11.011 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.274 0.634 13.194 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.513 0.791 11.466 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.567 3.147 10.618 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.101 5.229 13.959 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.866 5.465 11.759 1.00 0.00 H new ATOM 1200 N MET A 84 4.068 -2.040 11.276 1.00 0.00 N ATOM 1201 CA MET A 84 4.652 -3.317 11.393 1.00 0.00 C ATOM 1202 C MET A 84 5.657 -3.437 10.316 1.00 0.00 C ATOM 1203 O MET A 84 5.539 -2.798 9.285 1.00 0.00 O ATOM 1204 CB MET A 84 3.661 -4.442 11.243 1.00 0.00 C ATOM 1205 CG MET A 84 2.480 -4.427 12.187 1.00 0.00 C ATOM 1206 SD MET A 84 1.513 -5.924 12.030 1.00 0.00 S ATOM 1207 CE MET A 84 1.527 -6.094 10.253 1.00 0.00 C ATOM 0 H MET A 84 3.732 -1.805 10.342 1.00 0.00 H new ATOM 0 HA MET A 84 5.082 -3.403 12.391 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.282 -4.430 10.221 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.192 -5.385 11.375 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.832 -4.323 13.213 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.853 -3.561 11.976 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.812 -6.861 9.955 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.252 -5.144 9.794 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.525 -6.381 9.923 1.00 0.00 H new ATOM 1217 N LYS A 85 6.618 -4.225 10.522 1.00 0.00 N ATOM 1218 CA LYS A 85 7.621 -4.425 9.543 1.00 0.00 C ATOM 1219 C LYS A 85 7.596 -5.854 9.217 1.00 0.00 C ATOM 1220 O LYS A 85 7.729 -6.680 10.091 1.00 0.00 O ATOM 1221 CB LYS A 85 8.982 -4.053 10.076 1.00 0.00 C ATOM 1222 CG LYS A 85 9.163 -2.629 10.475 1.00 0.00 C ATOM 1223 CD LYS A 85 9.233 -1.731 9.282 1.00 0.00 C ATOM 1224 CE LYS A 85 9.745 -0.399 9.695 1.00 0.00 C ATOM 1225 NZ LYS A 85 9.787 0.569 8.581 1.00 0.00 N ATOM 0 H LYS A 85 6.746 -4.763 11.379 1.00 0.00 H new ATOM 0 HA LYS A 85 7.433 -3.801 8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.195 -4.681 10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.726 -4.294 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.336 -2.321 11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.076 -2.528 11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.886 -2.165 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.246 -1.629 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.114 -0.003 10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.747 -0.513 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.449 1.495 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.764 0.660 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.177 0.235 7.808 1.00 0.00 H new ATOM 1239 N THR A 86 7.363 -6.159 8.020 1.00 0.00 N ATOM 1240 CA THR A 86 7.289 -7.525 7.638 1.00 0.00 C ATOM 1241 C THR A 86 8.344 -7.846 6.605 1.00 0.00 C ATOM 1242 O THR A 86 8.673 -7.011 5.766 1.00 0.00 O ATOM 1243 CB THR A 86 5.875 -7.902 7.104 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.583 -7.220 5.864 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.801 -7.546 8.124 1.00 0.00 C ATOM 0 H THR A 86 7.216 -5.488 7.266 1.00 0.00 H new ATOM 0 HA THR A 86 7.474 -8.123 8.530 1.00 0.00 H new ATOM 0 HB THR A 86 5.874 -8.978 6.929 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.964 -6.318 5.889 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.821 -7.818 7.731 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.984 -8.091 9.050 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.828 -6.474 8.322 1.00 0.00 H new ATOM 1253 N MET A 87 8.895 -9.019 6.681 1.00 0.00 N ATOM 1254 CA MET A 87 9.838 -9.471 5.698 1.00 0.00 C ATOM 1255 C MET A 87 9.137 -10.579 4.954 1.00 0.00 C ATOM 1256 O MET A 87 8.138 -11.092 5.473 1.00 0.00 O ATOM 1257 CB MET A 87 11.136 -9.999 6.363 1.00 0.00 C ATOM 1258 CG MET A 87 11.842 -8.999 7.267 1.00 0.00 C ATOM 1259 SD MET A 87 13.521 -9.512 7.733 1.00 0.00 S ATOM 1260 CE MET A 87 13.245 -11.161 8.390 1.00 0.00 C ATOM 0 H MET A 87 8.705 -9.691 7.425 1.00 0.00 H new ATOM 0 HA MET A 87 10.142 -8.660 5.037 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.893 -10.887 6.947 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.827 -10.311 5.580 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.891 -8.035 6.761 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.250 -8.855 8.171 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.042 -11.412 9.090 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.285 -11.191 8.906 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.240 -11.882 7.573 1.00 0.00 H new ATOM 1270 N PRO A 88 9.600 -11.015 3.766 1.00 0.00 N ATOM 1271 CA PRO A 88 8.958 -12.126 3.016 1.00 0.00 C ATOM 1272 C PRO A 88 9.248 -13.490 3.666 1.00 0.00 C ATOM 1273 O PRO A 88 9.235 -14.518 3.007 1.00 0.00 O ATOM 1274 CB PRO A 88 9.620 -12.036 1.637 1.00 0.00 C ATOM 1275 CG PRO A 88 10.952 -11.439 1.902 1.00 0.00 C ATOM 1276 CD PRO A 88 10.750 -10.456 3.013 1.00 0.00 C ATOM 0 HA PRO A 88 7.872 -12.043 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.711 -13.019 1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.036 -11.417 0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.674 -12.205 2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.343 -10.947 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.637 -10.371 3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.533 -9.458 2.632 1.00 0.00 H new ATOM 1284 N ALA A 89 9.473 -13.445 4.980 1.00 0.00 N ATOM 1285 CA ALA A 89 9.771 -14.577 5.841 1.00 0.00 C ATOM 1286 C ALA A 89 11.132 -15.171 5.578 1.00 0.00 C ATOM 1287 O ALA A 89 11.400 -16.328 5.894 1.00 0.00 O ATOM 1288 CB ALA A 89 8.653 -15.587 5.843 1.00 0.00 C ATOM 0 H ALA A 89 9.449 -12.565 5.495 1.00 0.00 H new ATOM 0 HA ALA A 89 9.830 -14.197 6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.914 -16.418 6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.738 -15.116 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.497 -15.959 4.830 1.00 0.00 H new ATOM 1294 N ALA A 90 11.998 -14.345 5.068 1.00 0.00 N ATOM 1295 CA ALA A 90 13.357 -14.704 4.865 1.00 0.00 C ATOM 1296 C ALA A 90 14.160 -14.087 5.997 1.00 0.00 C ATOM 1297 O ALA A 90 14.704 -12.992 5.814 1.00 0.00 O ATOM 1298 CB ALA A 90 13.838 -14.195 3.510 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.186 -14.667 7.112 1.00 0.00 O ATOM 0 H ALA A 90 11.770 -13.393 4.780 1.00 0.00 H new ATOM 0 HA ALA A 90 13.480 -15.787 4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.881 -14.476 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.230 -14.635 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.747 -13.109 3.476 1.00 0.00 H new