USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 561 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 61 THR OG1 : rot 2:sc= 0.275! USER MOD Set 1.2: A 68 GLN :FLIP amide:sc=-0.00467 F(o=-1,f=0.27) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -120:sc= -0.171 (180deg=-1.35!) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.335 USER MOD Single : A 17 ASN : amide:sc= 0.281 K(o=0.28,f=-0.3) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 85:sc= 1.08 USER MOD Single : A 24 SER OG : rot 110:sc= 0.0244 USER MOD Single : A 28 ASN :FLIP amide:sc= -11.9! C(o=-14!,f=-12!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.894 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -109:sc= -1.52 (180deg=-6.53!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -146:sc= -0.251 (180deg=-1.35!) USER MOD Single : A 75 SER OG : rot 180:sc=-0.00129 USER MOD Single : A 77 GLN :FLIP amide:sc= -4.56! C(o=-7.3!,f=-4.6!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 5:sc= 0.296 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 98 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.394 -5.267 -2.522 1.00 0.00 N ATOM 91 CA VAL A 7 -14.548 -3.989 -1.848 1.00 0.00 C ATOM 92 C VAL A 7 -13.570 -2.935 -2.365 1.00 0.00 C ATOM 93 O VAL A 7 -13.991 -1.900 -2.881 1.00 0.00 O ATOM 94 CB VAL A 7 -14.401 -4.121 -0.308 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.494 -3.334 0.394 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.438 -5.580 0.133 1.00 0.00 C ATOM 0 HA VAL A 7 -15.561 -3.658 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.430 -3.711 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.379 -3.435 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.419 -2.282 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.469 -3.719 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.332 -5.635 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.388 -6.025 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.620 -6.124 -0.339 1.00 0.00 H new ATOM 106 N PRO A 8 -12.247 -3.147 -2.199 1.00 0.00 N ATOM 107 CA PRO A 8 -11.232 -2.192 -2.607 1.00 0.00 C ATOM 108 C PRO A 8 -10.433 -2.627 -3.852 1.00 0.00 C ATOM 109 O PRO A 8 -11.006 -2.915 -4.902 1.00 0.00 O ATOM 110 CB PRO A 8 -10.372 -2.220 -1.351 1.00 0.00 C ATOM 111 CG PRO A 8 -10.316 -3.679 -1.011 1.00 0.00 C ATOM 112 CD PRO A 8 -11.598 -4.294 -1.549 1.00 0.00 C ATOM 0 HA PRO A 8 -11.622 -1.220 -2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.379 -1.810 -1.533 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.816 -1.635 -0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.441 -4.149 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.238 -3.824 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.397 -5.101 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.214 -4.712 -0.753 1.00 0.00 H new ATOM 120 N LEU A 9 -9.102 -2.646 -3.719 1.00 0.00 N ATOM 121 CA LEU A 9 -8.193 -3.012 -4.801 1.00 0.00 C ATOM 122 C LEU A 9 -8.446 -4.425 -5.326 1.00 0.00 C ATOM 123 O LEU A 9 -8.421 -5.396 -4.570 1.00 0.00 O ATOM 124 CB LEU A 9 -6.748 -2.916 -4.274 1.00 0.00 C ATOM 125 CG LEU A 9 -5.600 -3.069 -5.295 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.080 -3.624 -6.618 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.894 -1.743 -5.522 1.00 0.00 C ATOM 0 H LEU A 9 -8.626 -2.405 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.361 -2.326 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.634 -1.950 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.619 -3.680 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.896 -3.783 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.237 -3.713 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.525 -4.606 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.825 -2.953 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.090 -1.878 -6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.607 -1.012 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.478 -1.386 -4.580 1.00 0.00 H new ATOM 139 N THR A 10 -8.635 -4.528 -6.641 1.00 0.00 N ATOM 140 CA THR A 10 -8.829 -5.814 -7.292 1.00 0.00 C ATOM 141 C THR A 10 -7.507 -6.272 -7.905 1.00 0.00 C ATOM 142 O THR A 10 -6.916 -5.568 -8.723 1.00 0.00 O ATOM 143 CB THR A 10 -9.901 -5.721 -8.376 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.180 -5.510 -7.804 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.979 -6.963 -9.238 1.00 0.00 C ATOM 0 H THR A 10 -8.657 -3.729 -7.275 1.00 0.00 H new ATOM 0 HA THR A 10 -9.162 -6.538 -6.548 1.00 0.00 H new ATOM 0 HB THR A 10 -9.610 -4.878 -9.002 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.851 -5.452 -8.516 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.759 -6.836 -9.989 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.021 -7.123 -9.733 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.214 -7.825 -8.614 1.00 0.00 H new ATOM 153 N PHE A 11 -7.046 -7.442 -7.494 1.00 0.00 N ATOM 154 CA PHE A 11 -5.786 -7.990 -7.989 1.00 0.00 C ATOM 155 C PHE A 11 -5.999 -8.808 -9.266 1.00 0.00 C ATOM 156 O PHE A 11 -7.120 -8.925 -9.758 1.00 0.00 O ATOM 157 CB PHE A 11 -5.145 -8.849 -6.901 1.00 0.00 C ATOM 158 CG PHE A 11 -5.822 -10.159 -6.721 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.977 -10.267 -5.972 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.302 -11.277 -7.322 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.605 -11.487 -5.829 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.913 -12.497 -7.185 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.069 -12.606 -6.439 1.00 0.00 C ATOM 0 H PHE A 11 -7.525 -8.035 -6.816 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.120 -7.164 -8.238 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.098 -9.019 -7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.164 -8.304 -5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.391 -9.391 -5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.400 -11.195 -7.910 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.509 -11.567 -5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.491 -13.370 -7.660 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.555 -13.565 -6.332 1.00 0.00 H new ATOM 173 N THR A 12 -4.911 -9.364 -9.800 1.00 0.00 N ATOM 174 CA THR A 12 -4.980 -10.162 -11.028 1.00 0.00 C ATOM 175 C THR A 12 -5.336 -11.619 -10.728 1.00 0.00 C ATOM 176 O THR A 12 -5.873 -11.929 -9.675 1.00 0.00 O ATOM 177 CB THR A 12 -3.647 -10.093 -11.783 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.817 -10.487 -13.136 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.566 -10.962 -11.176 1.00 0.00 C ATOM 0 H THR A 12 -3.975 -9.278 -9.405 1.00 0.00 H new ATOM 0 HA THR A 12 -5.769 -9.743 -11.653 1.00 0.00 H new ATOM 0 HB THR A 12 -3.328 -9.053 -11.713 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.957 -10.435 -13.602 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.651 -10.865 -11.760 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.377 -10.645 -10.150 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.891 -12.003 -11.180 1.00 0.00 H new ATOM 187 N ASP A 13 -5.034 -12.513 -11.665 1.00 0.00 N ATOM 188 CA ASP A 13 -5.313 -13.933 -11.486 1.00 0.00 C ATOM 189 C ASP A 13 -4.117 -14.646 -10.867 1.00 0.00 C ATOM 190 O ASP A 13 -4.263 -15.479 -9.980 1.00 0.00 O ATOM 191 CB ASP A 13 -5.659 -14.568 -12.823 1.00 0.00 C ATOM 192 CG ASP A 13 -6.889 -13.955 -13.463 1.00 0.00 C ATOM 193 OD1 ASP A 13 -7.991 -14.106 -12.898 1.00 0.00 O ATOM 194 OD2 ASP A 13 -6.746 -13.312 -14.526 1.00 0.00 O ATOM 0 H ASP A 13 -4.596 -12.279 -12.556 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.162 -14.033 -10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.812 -14.463 -13.500 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.823 -15.636 -12.681 1.00 0.00 H new ATOM 199 N ALA A 14 -2.935 -14.312 -11.361 1.00 0.00 N ATOM 200 CA ALA A 14 -1.702 -14.919 -10.885 1.00 0.00 C ATOM 201 C ALA A 14 -1.479 -14.642 -9.407 1.00 0.00 C ATOM 202 O ALA A 14 -1.044 -15.522 -8.666 1.00 0.00 O ATOM 203 CB ALA A 14 -0.519 -14.424 -11.703 1.00 0.00 C ATOM 0 H ALA A 14 -2.804 -13.618 -12.097 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.791 -15.998 -11.010 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.397 -14.887 -11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.664 -14.689 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.440 -13.341 -11.611 1.00 0.00 H new ATOM 209 N ALA A 15 -1.796 -13.427 -8.963 1.00 0.00 N ATOM 210 CA ALA A 15 -1.636 -13.093 -7.558 1.00 0.00 C ATOM 211 C ALA A 15 -2.377 -14.127 -6.727 1.00 0.00 C ATOM 212 O ALA A 15 -1.943 -14.503 -5.637 1.00 0.00 O ATOM 213 CB ALA A 15 -2.122 -11.680 -7.271 1.00 0.00 C ATOM 0 H ALA A 15 -2.158 -12.673 -9.547 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.579 -13.114 -7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.990 -11.458 -6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.547 -10.970 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.178 -11.599 -7.530 1.00 0.00 H new ATOM 219 N ALA A 16 -3.473 -14.627 -7.291 1.00 0.00 N ATOM 220 CA ALA A 16 -4.252 -15.671 -6.648 1.00 0.00 C ATOM 221 C ALA A 16 -3.462 -16.958 -6.687 1.00 0.00 C ATOM 222 O ALA A 16 -3.383 -17.704 -5.708 1.00 0.00 O ATOM 223 CB ALA A 16 -5.569 -15.870 -7.375 1.00 0.00 C ATOM 0 H ALA A 16 -3.839 -14.323 -8.193 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.460 -15.383 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.142 -16.655 -6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.138 -14.941 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.374 -16.157 -8.408 1.00 0.00 H new ATOM 229 N ASN A 17 -2.880 -17.212 -7.854 1.00 0.00 N ATOM 230 CA ASN A 17 -2.082 -18.399 -8.088 1.00 0.00 C ATOM 231 C ASN A 17 -0.942 -18.507 -7.082 1.00 0.00 C ATOM 232 O ASN A 17 -0.710 -19.569 -6.507 1.00 0.00 O ATOM 233 CB ASN A 17 -1.521 -18.369 -9.510 1.00 0.00 C ATOM 234 CG ASN A 17 -2.548 -18.750 -10.559 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.439 -19.789 -11.206 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.551 -17.896 -10.730 1.00 0.00 N ATOM 0 H ASN A 17 -2.952 -16.596 -8.663 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.723 -19.272 -7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.143 -17.369 -9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.673 -19.051 -9.575 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.274 -18.090 -11.423 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.598 -17.046 -10.168 1.00 0.00 H new ATOM 243 N LYS A 18 -0.234 -17.396 -6.867 1.00 0.00 N ATOM 244 CA LYS A 18 0.876 -17.378 -5.929 1.00 0.00 C ATOM 245 C LYS A 18 0.407 -17.820 -4.547 1.00 0.00 C ATOM 246 O LYS A 18 1.176 -18.379 -3.768 1.00 0.00 O ATOM 247 CB LYS A 18 1.480 -15.969 -5.869 1.00 0.00 C ATOM 248 CG LYS A 18 2.357 -15.718 -4.651 1.00 0.00 C ATOM 249 CD LYS A 18 1.528 -15.275 -3.456 1.00 0.00 C ATOM 250 CE LYS A 18 2.198 -14.137 -2.701 1.00 0.00 C ATOM 251 NZ LYS A 18 3.488 -14.559 -2.085 1.00 0.00 N ATOM 0 H LYS A 18 -0.413 -16.505 -7.330 1.00 0.00 H new ATOM 0 HA LYS A 18 1.642 -18.075 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.071 -15.800 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.671 -15.238 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.904 -16.627 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.099 -14.954 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.542 -14.957 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.377 -16.120 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.377 -13.305 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.527 -13.773 -1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.438 -14.432 -1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.666 -15.560 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.262 -13.979 -2.468 1.00 0.00 H new ATOM 265 N VAL A 19 -0.863 -17.563 -4.259 1.00 0.00 N ATOM 266 CA VAL A 19 -1.450 -17.925 -2.981 1.00 0.00 C ATOM 267 C VAL A 19 -1.911 -19.374 -2.976 1.00 0.00 C ATOM 268 O VAL A 19 -1.342 -20.211 -2.285 1.00 0.00 O ATOM 269 CB VAL A 19 -2.645 -17.006 -2.656 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.259 -17.363 -1.310 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.212 -15.547 -2.690 1.00 0.00 C ATOM 0 H VAL A 19 -1.508 -17.102 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.680 -17.802 -2.220 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.411 -17.155 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.099 -16.699 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.609 -18.395 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.509 -17.250 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.065 -14.909 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.426 -15.383 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.835 -15.303 -3.683 1.00 0.00 H new ATOM 281 N LYS A 20 -2.947 -19.659 -3.758 1.00 0.00 N ATOM 282 CA LYS A 20 -3.513 -20.998 -3.857 1.00 0.00 C ATOM 283 C LYS A 20 -2.466 -22.056 -4.200 1.00 0.00 C ATOM 284 O LYS A 20 -2.702 -23.249 -4.023 1.00 0.00 O ATOM 285 CB LYS A 20 -4.605 -21.037 -4.925 1.00 0.00 C ATOM 286 CG LYS A 20 -4.297 -20.205 -6.159 1.00 0.00 C ATOM 287 CD LYS A 20 -4.546 -20.982 -7.438 1.00 0.00 C ATOM 288 CE LYS A 20 -5.957 -21.546 -7.482 1.00 0.00 C ATOM 289 NZ LYS A 20 -6.064 -22.707 -8.403 1.00 0.00 N ATOM 0 H LYS A 20 -3.418 -18.967 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.925 -21.229 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.765 -22.072 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.539 -20.685 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.913 -19.306 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.257 -19.879 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.386 -20.331 -8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.825 -21.796 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.257 -21.850 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.649 -20.766 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.042 -23.061 -8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.802 -22.412 -9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.423 -23.462 -8.086 1.00 0.00 H new ATOM 303 N SER A 21 -1.331 -21.621 -4.731 1.00 0.00 N ATOM 304 CA SER A 21 -0.291 -22.556 -5.139 1.00 0.00 C ATOM 305 C SER A 21 0.642 -22.940 -3.999 1.00 0.00 C ATOM 306 O SER A 21 0.954 -24.108 -3.811 1.00 0.00 O ATOM 307 CB SER A 21 0.522 -21.976 -6.297 1.00 0.00 C ATOM 308 OG SER A 21 -0.279 -21.823 -7.456 1.00 0.00 O ATOM 0 H SER A 21 -1.108 -20.638 -4.888 1.00 0.00 H new ATOM 0 HA SER A 21 -0.800 -23.465 -5.460 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.936 -21.010 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.365 -22.631 -6.518 1.00 0.00 H new ATOM 0 HG SER A 21 -0.751 -20.965 -7.417 1.00 0.00 H new ATOM 314 N LEU A 22 1.101 -21.948 -3.241 1.00 0.00 N ATOM 315 CA LEU A 22 2.010 -22.226 -2.141 1.00 0.00 C ATOM 316 C LEU A 22 1.239 -22.640 -0.898 1.00 0.00 C ATOM 317 O LEU A 22 1.762 -23.346 -0.046 1.00 0.00 O ATOM 318 CB LEU A 22 2.940 -21.017 -1.882 1.00 0.00 C ATOM 319 CG LEU A 22 2.598 -20.096 -0.700 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.248 -19.444 -0.911 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.634 -20.852 0.616 1.00 0.00 C ATOM 0 H LEU A 22 0.863 -20.964 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 22 2.648 -23.066 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.950 -21.397 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.960 -20.409 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 22 3.356 -19.314 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.021 -18.795 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.269 -18.853 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.481 -20.214 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.388 -20.173 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.908 -21.665 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.632 -21.262 0.773 1.00 0.00 H new ATOM 333 N ILE A 23 -0.015 -22.211 -0.806 1.00 0.00 N ATOM 334 CA ILE A 23 -0.839 -22.564 0.326 1.00 0.00 C ATOM 335 C ILE A 23 -1.235 -24.020 0.234 1.00 0.00 C ATOM 336 O ILE A 23 -1.087 -24.788 1.184 1.00 0.00 O ATOM 337 CB ILE A 23 -2.089 -21.696 0.399 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.886 -21.788 -0.887 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.700 -20.248 0.659 1.00 0.00 C ATOM 340 CD1 ILE A 23 -4.008 -22.801 -0.836 1.00 0.00 C ATOM 0 H ILE A 23 -0.474 -21.622 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.257 -22.395 1.232 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.710 -22.059 1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.304 -20.808 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.212 -22.046 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.599 -19.633 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.160 -20.180 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.062 -19.892 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.533 -22.811 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.596 -23.791 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.704 -22.533 -0.042 1.00 0.00 H new ATOM 352 N SER A 24 -1.699 -24.411 -0.945 1.00 0.00 N ATOM 353 CA SER A 24 -2.073 -25.791 -1.193 1.00 0.00 C ATOM 354 C SER A 24 -0.851 -26.682 -1.018 1.00 0.00 C ATOM 355 O SER A 24 -0.966 -27.872 -0.760 1.00 0.00 O ATOM 356 CB SER A 24 -2.625 -25.939 -2.607 1.00 0.00 C ATOM 357 OG SER A 24 -4.013 -25.654 -2.650 1.00 0.00 O ATOM 0 H SER A 24 -1.824 -23.789 -1.744 1.00 0.00 H new ATOM 0 HA SER A 24 -2.845 -26.088 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.092 -25.267 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.449 -26.954 -2.964 1.00 0.00 H new ATOM 0 HG SER A 24 -4.159 -24.807 -3.121 1.00 0.00 H new ATOM 363 N GLU A 25 0.319 -26.066 -1.154 1.00 0.00 N ATOM 364 CA GLU A 25 1.577 -26.759 -1.004 1.00 0.00 C ATOM 365 C GLU A 25 1.955 -26.841 0.468 1.00 0.00 C ATOM 366 O GLU A 25 2.762 -27.684 0.868 1.00 0.00 O ATOM 367 CB GLU A 25 2.677 -26.038 -1.795 1.00 0.00 C ATOM 368 CG GLU A 25 3.361 -26.933 -2.820 1.00 0.00 C ATOM 369 CD GLU A 25 4.599 -26.287 -3.414 1.00 0.00 C ATOM 370 OE1 GLU A 25 5.144 -25.357 -2.788 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.023 -26.715 -4.506 1.00 0.00 O ATOM 0 H GLU A 25 0.413 -25.074 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 25 1.471 -27.770 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.245 -25.177 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.424 -25.655 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.637 -27.876 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.658 -27.169 -3.619 1.00 0.00 H new ATOM 378 N GLU A 26 1.355 -25.967 1.281 1.00 0.00 N ATOM 379 CA GLU A 26 1.623 -25.970 2.706 1.00 0.00 C ATOM 380 C GLU A 26 0.825 -27.067 3.389 1.00 0.00 C ATOM 381 O GLU A 26 1.119 -27.459 4.513 1.00 0.00 O ATOM 382 CB GLU A 26 1.295 -24.612 3.318 1.00 0.00 C ATOM 383 CG GLU A 26 2.064 -23.466 2.688 1.00 0.00 C ATOM 384 CD GLU A 26 2.955 -22.748 3.673 1.00 0.00 C ATOM 385 OE1 GLU A 26 4.121 -23.177 3.850 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.493 -21.762 4.279 1.00 0.00 O ATOM 0 H GLU A 26 0.689 -25.259 0.973 1.00 0.00 H new ATOM 0 HA GLU A 26 2.685 -26.165 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.226 -24.423 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.511 -24.641 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.671 -23.849 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.359 -22.755 2.257 1.00 0.00 H new ATOM 393 N GLU A 27 -0.212 -27.536 2.698 1.00 0.00 N ATOM 394 CA GLU A 27 -1.088 -28.561 3.223 1.00 0.00 C ATOM 395 C GLU A 27 -2.102 -27.939 4.167 1.00 0.00 C ATOM 396 O GLU A 27 -2.820 -28.647 4.872 1.00 0.00 O ATOM 397 CB GLU A 27 -0.295 -29.651 3.943 1.00 0.00 C ATOM 398 CG GLU A 27 -0.962 -31.021 3.913 1.00 0.00 C ATOM 399 CD GLU A 27 -0.499 -31.916 5.038 1.00 0.00 C ATOM 400 OE1 GLU A 27 -1.105 -31.870 6.133 1.00 0.00 O ATOM 401 OE2 GLU A 27 0.477 -32.679 4.832 1.00 0.00 O ATOM 0 H GLU A 27 -0.461 -27.213 1.763 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.611 -29.025 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.693 -29.728 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.146 -29.353 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.043 -30.896 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.750 -31.504 2.959 1.00 0.00 H new ATOM 408 N ASN A 28 -2.175 -26.607 4.159 1.00 0.00 N ATOM 409 CA ASN A 28 -3.125 -25.907 5.014 1.00 0.00 C ATOM 410 C ASN A 28 -4.521 -26.404 4.728 1.00 0.00 C ATOM 411 O ASN A 28 -5.132 -27.085 5.545 1.00 0.00 O ATOM 412 CB ASN A 28 -3.095 -24.391 4.816 1.00 0.00 C ATOM 413 CG ASN A 28 -1.757 -23.860 4.371 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.710 -23.383 3.131 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.783 -23.869 5.127 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.595 -26.002 3.578 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.837 -26.114 6.045 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.848 -24.116 4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.374 -23.907 5.752 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.873 -24.247 6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.113 -23.498 4.809 1.00 0.00 H new ATOM 422 N THR A 29 -5.026 -26.031 3.546 1.00 0.00 N ATOM 423 CA THR A 29 -6.373 -26.427 3.140 1.00 0.00 C ATOM 424 C THR A 29 -6.922 -25.534 2.028 1.00 0.00 C ATOM 425 O THR A 29 -7.501 -26.025 1.054 1.00 0.00 O ATOM 426 CB THR A 29 -7.323 -26.340 4.335 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.677 -26.348 3.906 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.104 -25.095 5.156 1.00 0.00 C ATOM 0 H THR A 29 -4.526 -25.462 2.863 1.00 0.00 H new ATOM 0 HA THR A 29 -6.307 -27.450 2.768 1.00 0.00 H new ATOM 0 HB THR A 29 -7.109 -27.213 4.951 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.268 -26.293 4.686 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.804 -25.082 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.083 -25.086 5.538 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.267 -24.215 4.533 1.00 0.00 H new ATOM 436 N ASP A 30 -6.768 -24.229 2.198 1.00 0.00 N ATOM 437 CA ASP A 30 -7.275 -23.249 1.240 1.00 0.00 C ATOM 438 C ASP A 30 -7.105 -21.867 1.833 1.00 0.00 C ATOM 439 O ASP A 30 -8.071 -21.195 2.190 1.00 0.00 O ATOM 440 CB ASP A 30 -8.749 -23.514 0.918 1.00 0.00 C ATOM 441 CG ASP A 30 -8.937 -24.192 -0.424 1.00 0.00 C ATOM 442 OD1 ASP A 30 -7.934 -24.674 -0.989 1.00 0.00 O ATOM 443 OD2 ASP A 30 -10.086 -24.234 -0.908 1.00 0.00 O ATOM 0 H ASP A 30 -6.290 -23.818 3.000 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.715 -23.326 0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.182 -24.137 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.294 -22.570 0.924 1.00 0.00 H new ATOM 448 N LEU A 31 -5.853 -21.485 1.970 1.00 0.00 N ATOM 449 CA LEU A 31 -5.478 -20.222 2.559 1.00 0.00 C ATOM 450 C LEU A 31 -6.057 -19.031 1.824 1.00 0.00 C ATOM 451 O LEU A 31 -6.316 -19.072 0.624 1.00 0.00 O ATOM 452 CB LEU A 31 -3.964 -20.131 2.579 1.00 0.00 C ATOM 453 CG LEU A 31 -3.344 -20.061 3.961 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.991 -18.954 4.759 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.495 -21.389 4.673 1.00 0.00 C ATOM 0 H LEU A 31 -5.059 -22.051 1.671 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.886 -20.189 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.556 -20.997 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.661 -19.248 2.016 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.280 -19.845 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.541 -18.909 5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.841 -18.002 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.059 -19.150 4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.045 -21.324 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.553 -21.632 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.995 -22.169 4.098 1.00 0.00 H new ATOM 467 N LYS A 32 -6.231 -17.958 2.580 1.00 0.00 N ATOM 468 CA LYS A 32 -6.754 -16.709 2.059 1.00 0.00 C ATOM 469 C LYS A 32 -5.681 -15.632 2.159 1.00 0.00 C ATOM 470 O LYS A 32 -5.146 -15.382 3.240 1.00 0.00 O ATOM 471 CB LYS A 32 -8.001 -16.294 2.847 1.00 0.00 C ATOM 472 CG LYS A 32 -8.974 -17.436 3.091 1.00 0.00 C ATOM 473 CD LYS A 32 -9.992 -17.081 4.164 1.00 0.00 C ATOM 474 CE LYS A 32 -10.799 -15.856 3.771 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.557 -15.301 4.930 1.00 0.00 N ATOM 0 H LYS A 32 -6.012 -17.931 3.576 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.033 -16.839 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.693 -15.879 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.515 -15.499 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.492 -17.679 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.423 -18.327 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.663 -17.925 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.480 -16.895 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.131 -15.092 3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.494 -16.118 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.096 -14.466 4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.212 -16.022 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.892 -15.028 5.681 1.00 0.00 H new ATOM 489 N LEU A 33 -5.354 -15.009 1.036 1.00 0.00 N ATOM 490 CA LEU A 33 -4.331 -13.979 1.016 1.00 0.00 C ATOM 491 C LEU A 33 -4.700 -12.834 1.950 1.00 0.00 C ATOM 492 O LEU A 33 -5.874 -12.514 2.121 1.00 0.00 O ATOM 493 CB LEU A 33 -4.156 -13.461 -0.414 1.00 0.00 C ATOM 494 CG LEU A 33 -2.862 -12.695 -0.694 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.935 -11.291 -0.116 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.653 -13.443 -0.146 1.00 0.00 C ATOM 0 H LEU A 33 -5.782 -15.200 0.130 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.391 -14.409 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.208 -14.310 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.998 -12.811 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.744 -12.615 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.005 -10.762 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.768 -10.754 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.084 -11.349 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.747 -12.876 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.759 -13.566 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.587 -14.423 -0.618 1.00 0.00 H new ATOM 508 N ARG A 34 -3.685 -12.214 2.545 1.00 0.00 N ATOM 509 CA ARG A 34 -3.901 -11.096 3.449 1.00 0.00 C ATOM 510 C ARG A 34 -2.826 -10.039 3.243 1.00 0.00 C ATOM 511 O ARG A 34 -1.718 -10.144 3.767 1.00 0.00 O ATOM 512 CB ARG A 34 -3.918 -11.567 4.903 1.00 0.00 C ATOM 513 CG ARG A 34 -4.078 -10.438 5.912 1.00 0.00 C ATOM 514 CD ARG A 34 -2.733 -9.893 6.365 1.00 0.00 C ATOM 515 NE ARG A 34 -2.613 -9.877 7.821 1.00 0.00 N ATOM 516 CZ ARG A 34 -3.184 -8.963 8.601 1.00 0.00 C ATOM 517 NH1 ARG A 34 -3.909 -7.986 8.068 1.00 0.00 N ATOM 518 NH2 ARG A 34 -3.034 -9.024 9.915 1.00 0.00 N ATOM 0 H ARG A 34 -2.706 -12.469 2.415 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.873 -10.656 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.733 -12.278 5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.991 -12.101 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.665 -9.634 5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.634 -10.799 6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.934 -10.501 5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.603 -8.882 5.979 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.059 -10.609 8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.030 -7.934 7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.345 -7.288 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.480 -9.773 10.331 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.473 -8.322 10.511 1.00 0.00 H new ATOM 532 N VAL A 35 -3.158 -9.035 2.451 1.00 0.00 N ATOM 533 CA VAL A 35 -2.225 -7.964 2.135 1.00 0.00 C ATOM 534 C VAL A 35 -1.993 -7.012 3.295 1.00 0.00 C ATOM 535 O VAL A 35 -2.842 -6.835 4.169 1.00 0.00 O ATOM 536 CB VAL A 35 -2.719 -7.125 0.952 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.612 -6.221 0.431 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.252 -8.014 -0.146 1.00 0.00 C ATOM 0 H VAL A 35 -4.073 -8.937 2.011 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.290 -8.470 1.894 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.534 -6.491 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.986 -5.635 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.286 -5.550 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.770 -6.830 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.598 -7.399 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.461 -8.679 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.083 -8.607 0.237 1.00 0.00 H new ATOM 548 N TYR A 36 -0.837 -6.373 3.247 1.00 0.00 N ATOM 549 CA TYR A 36 -0.437 -5.382 4.232 1.00 0.00 C ATOM 550 C TYR A 36 0.322 -4.278 3.515 1.00 0.00 C ATOM 551 O TYR A 36 0.591 -4.387 2.319 1.00 0.00 O ATOM 552 CB TYR A 36 0.429 -5.999 5.335 1.00 0.00 C ATOM 553 CG TYR A 36 1.132 -7.269 4.922 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.416 -8.437 4.698 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.510 -7.300 4.755 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.052 -9.601 4.319 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.156 -8.462 4.375 1.00 0.00 C ATOM 558 CZ TYR A 36 2.422 -9.610 4.158 1.00 0.00 C ATOM 559 OH TYR A 36 3.060 -10.768 3.781 1.00 0.00 O ATOM 0 H TYR A 36 -0.143 -6.529 2.516 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.326 -4.979 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.174 -5.269 5.649 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.198 -6.208 6.202 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.657 -8.434 4.823 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.086 -6.403 4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.480 -10.501 4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.229 -8.471 4.249 1.00 0.00 H new ATOM 0 HH TYR A 36 4.023 -10.603 3.712 1.00 0.00 H new ATOM 569 N ILE A 37 0.664 -3.217 4.223 1.00 0.00 N ATOM 570 CA ILE A 37 1.383 -2.119 3.599 1.00 0.00 C ATOM 571 C ILE A 37 2.864 -2.451 3.444 1.00 0.00 C ATOM 572 O ILE A 37 3.572 -2.684 4.424 1.00 0.00 O ATOM 573 CB ILE A 37 1.201 -0.802 4.384 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.196 -0.229 4.132 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.260 0.213 3.983 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.499 0.005 2.669 1.00 0.00 C ATOM 0 H ILE A 37 0.460 -3.091 5.215 1.00 0.00 H new ATOM 0 HA ILE A 37 0.958 -1.976 2.606 1.00 0.00 H new ATOM 0 HB ILE A 37 1.313 -1.016 5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.939 -0.912 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.296 0.713 4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.114 1.134 4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.250 -0.190 4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.176 0.424 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.505 0.412 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.222 0.711 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.432 -0.939 2.128 1.00 0.00 H new ATOM 672 N GLN A 46 2.961 -1.744 -4.007 1.00 0.00 N ATOM 673 CA GLN A 46 3.298 -3.162 -3.914 1.00 0.00 C ATOM 674 C GLN A 46 2.473 -3.875 -2.849 1.00 0.00 C ATOM 675 O GLN A 46 1.602 -4.678 -3.168 1.00 0.00 O ATOM 676 CB GLN A 46 4.780 -3.334 -3.619 1.00 0.00 C ATOM 677 CG GLN A 46 5.674 -2.788 -4.712 1.00 0.00 C ATOM 678 CD GLN A 46 7.084 -2.565 -4.223 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.632 -1.466 -4.321 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.675 -3.621 -3.690 1.00 0.00 N ATOM 0 HA GLN A 46 3.063 -3.615 -4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.017 -2.833 -2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.995 -4.393 -3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.686 -3.482 -5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.264 -1.848 -5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.177 -4.509 -3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.629 -3.547 -3.336 1.00 0.00 H new ATOM 689 N TYR A 47 2.758 -3.584 -1.584 1.00 0.00 N ATOM 690 CA TYR A 47 2.040 -4.209 -0.477 1.00 0.00 C ATOM 691 C TYR A 47 2.464 -5.660 -0.299 1.00 0.00 C ATOM 692 O TYR A 47 2.598 -6.406 -1.269 1.00 0.00 O ATOM 693 CB TYR A 47 0.529 -4.125 -0.705 1.00 0.00 C ATOM 694 CG TYR A 47 0.065 -2.754 -1.135 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.168 -1.756 -0.198 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.136 -2.457 -2.475 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.589 -0.499 -0.586 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.557 -1.202 -2.873 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.783 -0.228 -1.924 1.00 0.00 C ATOM 700 OH TYR A 47 -1.203 1.021 -2.313 1.00 0.00 O ATOM 0 H TYR A 47 3.479 -2.921 -1.299 1.00 0.00 H new ATOM 0 HA TYR A 47 2.290 -3.666 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.242 -4.853 -1.464 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.014 -4.404 0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.018 -1.966 0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.039 -3.219 -3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.765 0.267 0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.708 -0.986 -3.920 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.290 1.048 -3.289 1.00 0.00 H new ATOM 710 N GLY A 48 2.684 -6.051 0.952 1.00 0.00 N ATOM 711 CA GLY A 48 3.103 -7.410 1.244 1.00 0.00 C ATOM 712 C GLY A 48 1.938 -8.371 1.365 1.00 0.00 C ATOM 713 O GLY A 48 0.964 -8.095 2.064 1.00 0.00 O ATOM 0 H GLY A 48 2.580 -5.450 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.773 -7.756 0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.672 -7.418 2.173 1.00 0.00 H new ATOM 717 N PHE A 49 2.034 -9.497 0.667 1.00 0.00 N ATOM 718 CA PHE A 49 0.985 -10.506 0.679 1.00 0.00 C ATOM 719 C PHE A 49 1.341 -11.705 1.550 1.00 0.00 C ATOM 720 O PHE A 49 2.436 -12.259 1.449 1.00 0.00 O ATOM 721 CB PHE A 49 0.719 -10.991 -0.743 1.00 0.00 C ATOM 722 CG PHE A 49 -0.224 -10.116 -1.501 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.169 -8.742 -1.365 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.174 -10.669 -2.337 1.00 0.00 C ATOM 725 CE1 PHE A 49 -1.043 -7.930 -2.052 1.00 0.00 C ATOM 726 CE2 PHE A 49 -2.058 -9.867 -3.027 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.993 -8.493 -2.886 1.00 0.00 C ATOM 0 H PHE A 49 2.835 -9.734 0.082 1.00 0.00 H new ATOM 0 HA PHE A 49 0.096 -10.037 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.664 -11.047 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.313 -12.002 -0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.569 -8.300 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.225 -11.742 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.987 -6.857 -1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.799 -10.311 -3.676 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.682 -7.860 -3.426 1.00 0.00 H new ATOM 737 N THR A 50 0.388 -12.119 2.374 1.00 0.00 N ATOM 738 CA THR A 50 0.566 -13.283 3.240 1.00 0.00 C ATOM 739 C THR A 50 -0.630 -14.217 3.090 1.00 0.00 C ATOM 740 O THR A 50 -1.654 -13.835 2.530 1.00 0.00 O ATOM 741 CB THR A 50 0.732 -12.871 4.704 1.00 0.00 C ATOM 742 OG1 THR A 50 1.270 -13.934 5.463 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.568 -12.456 5.352 1.00 0.00 C ATOM 0 H THR A 50 -0.521 -11.666 2.463 1.00 0.00 H new ATOM 0 HA THR A 50 1.476 -13.800 2.936 1.00 0.00 H new ATOM 0 HB THR A 50 1.406 -12.015 4.693 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.371 -13.652 6.396 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.384 -12.175 6.389 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.987 -11.605 4.815 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.272 -13.288 5.320 1.00 0.00 H new ATOM 751 N PHE A 51 -0.504 -15.437 3.587 1.00 0.00 N ATOM 752 CA PHE A 51 -1.580 -16.405 3.487 1.00 0.00 C ATOM 753 C PHE A 51 -2.212 -16.621 4.853 1.00 0.00 C ATOM 754 O PHE A 51 -1.691 -17.344 5.693 1.00 0.00 O ATOM 755 CB PHE A 51 -1.034 -17.694 2.871 1.00 0.00 C ATOM 756 CG PHE A 51 -0.057 -17.387 1.769 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.509 -16.925 0.545 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.307 -17.505 1.975 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.382 -16.592 -0.458 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.204 -17.167 0.979 1.00 0.00 C ATOM 761 CZ PHE A 51 1.741 -16.709 -0.239 1.00 0.00 C ATOM 0 H PHE A 51 0.331 -15.778 4.062 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.371 -16.037 2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.545 -18.292 3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.857 -18.291 2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.570 -16.824 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.674 -17.865 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.016 -16.241 -1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.266 -17.261 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.440 -16.443 -1.018 1.00 0.00 H new ATOM 771 N ASP A 52 -3.332 -15.936 5.061 1.00 0.00 N ATOM 772 CA ASP A 52 -4.059 -15.983 6.327 1.00 0.00 C ATOM 773 C ASP A 52 -5.469 -16.550 6.144 1.00 0.00 C ATOM 774 O ASP A 52 -6.349 -15.896 5.587 1.00 0.00 O ATOM 775 CB ASP A 52 -4.121 -14.570 6.919 1.00 0.00 C ATOM 776 CG ASP A 52 -5.093 -14.447 8.071 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.311 -14.575 7.845 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.632 -14.223 9.208 1.00 0.00 O ATOM 0 H ASP A 52 -3.761 -15.333 4.359 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.531 -16.647 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.126 -14.282 7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.406 -13.867 6.136 1.00 0.00 H new ATOM 783 N GLU A 53 -5.664 -17.778 6.605 1.00 0.00 N ATOM 784 CA GLU A 53 -6.946 -18.466 6.499 1.00 0.00 C ATOM 785 C GLU A 53 -7.942 -18.026 7.574 1.00 0.00 C ATOM 786 O GLU A 53 -9.143 -18.176 7.394 1.00 0.00 O ATOM 787 CB GLU A 53 -6.741 -19.978 6.596 1.00 0.00 C ATOM 788 CG GLU A 53 -7.311 -20.747 5.428 1.00 0.00 C ATOM 789 CD GLU A 53 -8.485 -21.619 5.819 1.00 0.00 C ATOM 790 OE1 GLU A 53 -8.286 -22.568 6.597 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.609 -21.354 5.340 1.00 0.00 O ATOM 0 H GLU A 53 -4.937 -18.327 7.064 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.365 -18.200 5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.674 -20.186 6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.201 -20.339 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.626 -20.045 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.530 -21.370 4.993 1.00 0.00 H new ATOM 881 N LEU A 60 -10.845 -5.864 5.529 1.00 0.00 N ATOM 882 CA LEU A 60 -11.707 -6.049 4.364 1.00 0.00 C ATOM 883 C LEU A 60 -11.268 -7.283 3.591 1.00 0.00 C ATOM 884 O LEU A 60 -10.076 -7.557 3.478 1.00 0.00 O ATOM 885 CB LEU A 60 -11.705 -4.810 3.463 1.00 0.00 C ATOM 886 CG LEU A 60 -11.880 -3.466 4.183 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.641 -2.492 3.299 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.592 -3.643 5.514 1.00 0.00 C ATOM 0 HA LEU A 60 -12.730 -6.193 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.766 -4.786 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.504 -4.915 2.729 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.889 -3.059 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.759 -1.542 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.087 -2.331 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.624 -2.903 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.701 -2.673 6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.577 -4.077 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.009 -4.306 6.153 1.00 0.00 H new ATOM 900 N THR A 61 -12.232 -8.054 3.093 1.00 0.00 N ATOM 901 CA THR A 61 -11.902 -9.279 2.373 1.00 0.00 C ATOM 902 C THR A 61 -12.495 -9.324 0.966 1.00 0.00 C ATOM 903 O THR A 61 -13.703 -9.162 0.773 1.00 0.00 O ATOM 904 CB THR A 61 -12.363 -10.496 3.181 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.714 -10.804 2.899 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.235 -10.306 4.678 1.00 0.00 C ATOM 0 H THR A 61 -13.230 -7.857 3.173 1.00 0.00 H new ATOM 0 HA THR A 61 -10.819 -9.298 2.255 1.00 0.00 H new ATOM 0 HB THR A 61 -11.703 -11.309 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.057 -10.182 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.579 -11.205 5.190 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.192 -10.119 4.933 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.842 -9.456 4.990 1.00 0.00 H new ATOM 914 N ILE A 62 -11.626 -9.579 0.003 1.00 0.00 N ATOM 915 CA ILE A 62 -11.992 -9.697 -1.400 1.00 0.00 C ATOM 916 C ILE A 62 -11.632 -11.098 -1.890 1.00 0.00 C ATOM 917 O ILE A 62 -10.495 -11.529 -1.742 1.00 0.00 O ATOM 918 CB ILE A 62 -11.252 -8.649 -2.261 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.879 -8.313 -1.658 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.102 -7.401 -2.407 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.929 -7.377 -0.461 1.00 0.00 C ATOM 0 H ILE A 62 -10.630 -9.712 0.176 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.064 -9.522 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.083 -9.070 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.391 -9.240 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.257 -7.861 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.571 -6.669 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.046 -7.658 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.301 -6.979 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.917 -7.194 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.385 -6.432 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.521 -7.833 0.333 1.00 0.00 H new ATOM 933 N GLU A 63 -12.594 -11.822 -2.447 1.00 0.00 N ATOM 934 CA GLU A 63 -12.336 -13.184 -2.914 1.00 0.00 C ATOM 935 C GLU A 63 -11.244 -13.212 -3.980 1.00 0.00 C ATOM 936 O GLU A 63 -11.027 -12.229 -4.688 1.00 0.00 O ATOM 937 CB GLU A 63 -13.614 -13.806 -3.467 1.00 0.00 C ATOM 938 CG GLU A 63 -13.555 -15.321 -3.579 1.00 0.00 C ATOM 939 CD GLU A 63 -14.892 -15.926 -3.939 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.856 -15.743 -3.169 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.980 -16.589 -4.988 1.00 0.00 O ATOM 0 H GLU A 63 -13.551 -11.497 -2.587 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.992 -13.766 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.450 -13.530 -2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.816 -13.385 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.819 -15.598 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.213 -15.739 -2.632 1.00 0.00 H new ATOM 948 N LYS A 64 -10.557 -14.352 -4.088 1.00 0.00 N ATOM 949 CA LYS A 64 -9.488 -14.510 -5.068 1.00 0.00 C ATOM 950 C LYS A 64 -9.852 -15.567 -6.105 1.00 0.00 C ATOM 951 O LYS A 64 -10.841 -16.276 -5.958 1.00 0.00 O ATOM 952 CB LYS A 64 -8.174 -14.883 -4.373 1.00 0.00 C ATOM 953 CG LYS A 64 -7.678 -13.804 -3.421 1.00 0.00 C ATOM 954 CD LYS A 64 -6.277 -14.086 -2.885 1.00 0.00 C ATOM 955 CE LYS A 64 -5.197 -13.708 -3.887 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.519 -12.434 -3.525 1.00 0.00 N ATOM 0 H LYS A 64 -10.724 -15.175 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.357 -13.557 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.313 -15.812 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.411 -15.072 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.678 -12.843 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.371 -13.717 -2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.124 -13.530 -1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.189 -15.144 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.459 -14.508 -3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.640 -13.613 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.800 -11.689 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.794 -12.156 -2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.488 -12.565 -3.566 1.00 0.00 H new ATOM 970 N SER A 65 -9.043 -15.647 -7.154 1.00 0.00 N ATOM 971 CA SER A 65 -9.264 -16.600 -8.236 1.00 0.00 C ATOM 972 C SER A 65 -9.492 -18.011 -7.713 1.00 0.00 C ATOM 973 O SER A 65 -10.348 -18.740 -8.220 1.00 0.00 O ATOM 974 CB SER A 65 -8.063 -16.584 -9.179 1.00 0.00 C ATOM 975 OG SER A 65 -8.481 -16.538 -10.536 1.00 0.00 O ATOM 0 H SER A 65 -8.220 -15.057 -7.279 1.00 0.00 H new ATOM 0 HA SER A 65 -10.165 -16.299 -8.771 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.435 -15.721 -8.959 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.454 -17.472 -9.012 1.00 0.00 H new ATOM 0 HG SER A 65 -7.694 -16.527 -11.120 1.00 0.00 H new ATOM 981 N GLY A 66 -8.717 -18.404 -6.710 1.00 0.00 N ATOM 982 CA GLY A 66 -8.849 -19.734 -6.155 1.00 0.00 C ATOM 983 C GLY A 66 -8.928 -19.756 -4.643 1.00 0.00 C ATOM 984 O GLY A 66 -8.918 -20.819 -4.028 1.00 0.00 O ATOM 0 H GLY A 66 -8.000 -17.825 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.745 -20.202 -6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.000 -20.338 -6.475 1.00 0.00 H new ATOM 988 N VAL A 67 -9.002 -18.568 -4.034 1.00 0.00 N ATOM 989 CA VAL A 67 -9.078 -18.461 -2.580 1.00 0.00 C ATOM 990 C VAL A 67 -9.767 -17.162 -2.172 1.00 0.00 C ATOM 991 O VAL A 67 -10.652 -16.675 -2.877 1.00 0.00 O ATOM 992 CB VAL A 67 -7.672 -18.548 -1.949 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.947 -19.795 -2.427 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.859 -17.313 -2.268 1.00 0.00 C ATOM 0 H VAL A 67 -9.011 -17.674 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.671 -19.297 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.792 -18.608 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.958 -19.838 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.517 -20.679 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.845 -19.763 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.873 -17.399 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.752 -17.217 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.365 -16.432 -1.874 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.358 -16.590 -1.039 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.939 -15.342 -0.562 1.00 0.00 C ATOM 1006 C GLN A 68 -8.847 -14.356 -0.145 1.00 0.00 C ATOM 1007 O GLN A 68 -7.879 -14.729 0.516 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.882 -15.614 0.614 1.00 0.00 C ATOM 1009 CG GLN A 68 -12.350 -15.409 0.276 1.00 0.00 C ATOM 1010 CD GLN A 68 -12.875 -14.070 0.752 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.045 -13.041 0.660 1.00 0.00 O flip ATOM 1012 NE2 GLN A 68 -14.011 -13.962 1.198 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.628 -16.973 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.508 -14.896 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.736 -16.638 0.957 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.614 -14.959 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.485 -15.485 -0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.938 -16.208 0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.618 -14.780 1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.350 -13.054 1.516 1.00 0.00 H new ATOM 1021 N LEU A 69 -9.011 -13.096 -0.535 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.046 -12.057 -0.198 1.00 0.00 C ATOM 1023 C LEU A 69 -8.591 -11.163 0.913 1.00 0.00 C ATOM 1024 O LEU A 69 -9.760 -10.794 0.902 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.715 -11.217 -1.437 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.890 -9.951 -1.189 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.828 -10.185 -0.129 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.240 -9.503 -2.481 1.00 0.00 C ATOM 0 H LEU A 69 -9.805 -12.770 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.133 -12.535 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.175 -11.846 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.650 -10.929 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.561 -9.172 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.259 -9.268 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.306 -10.477 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.156 -10.978 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.654 -8.602 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.587 -10.292 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.011 -9.292 -3.222 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.743 -10.828 1.876 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.150 -9.984 2.992 1.00 0.00 C ATOM 1042 C VAL A 70 -7.041 -8.990 3.340 1.00 0.00 C ATOM 1043 O VAL A 70 -5.949 -9.380 3.735 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.555 -10.833 4.228 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.935 -12.248 3.814 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.461 -10.880 5.281 1.00 0.00 C ATOM 0 H VAL A 70 -6.769 -11.128 1.907 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.031 -9.420 2.687 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.422 -10.343 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.215 -12.823 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.777 -12.211 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.085 -12.725 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.793 -11.486 6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.561 -11.319 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.243 -9.869 5.624 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.314 -7.702 3.176 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.307 -6.685 3.464 1.00 0.00 C ATOM 1058 C ILE A 71 -6.696 -5.821 4.660 1.00 0.00 C ATOM 1059 O ILE A 71 -7.864 -5.742 5.037 1.00 0.00 O ATOM 1060 CB ILE A 71 -6.014 -5.793 2.234 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -7.051 -4.680 2.094 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.972 -6.637 0.968 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.468 -5.190 1.958 1.00 0.00 C ATOM 0 H ILE A 71 -8.210 -7.339 2.850 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.394 -7.224 3.716 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.040 -5.327 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.990 -4.026 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.806 -4.074 1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.765 -5.997 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.187 -7.388 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.933 -7.131 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.151 -4.346 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.544 -5.820 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.732 -5.772 2.841 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.692 -5.194 5.258 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.894 -4.347 6.433 1.00 0.00 C ATOM 1077 C ASP A 72 -6.327 -2.926 6.051 1.00 0.00 C ATOM 1078 O ASP A 72 -5.899 -2.387 5.031 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.604 -4.299 7.255 1.00 0.00 C ATOM 1080 CG ASP A 72 -4.695 -3.372 8.452 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.716 -2.141 8.250 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -4.746 -3.879 9.593 1.00 0.00 O ATOM 0 H ASP A 72 -4.722 -5.255 4.948 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.698 -4.783 7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.362 -5.304 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.784 -3.976 6.614 1.00 0.00 H new ATOM 1087 N PRO A 73 -7.195 -2.306 6.878 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.704 -0.950 6.645 1.00 0.00 C ATOM 1089 C PRO A 73 -6.615 0.041 6.245 1.00 0.00 C ATOM 1090 O PRO A 73 -6.836 0.916 5.409 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.303 -0.571 7.997 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.754 -1.867 8.567 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.760 -2.895 8.108 1.00 0.00 C ATOM 0 HA PRO A 73 -8.412 -0.922 5.817 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.566 -0.088 8.639 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.133 0.126 7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.792 -1.821 9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.758 -2.115 8.223 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.990 -3.071 8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.238 -3.855 7.910 1.00 0.00 H new ATOM 1101 N MET A 74 -5.434 -0.091 6.837 1.00 0.00 N ATOM 1102 CA MET A 74 -4.330 0.800 6.519 1.00 0.00 C ATOM 1103 C MET A 74 -4.066 0.763 5.015 1.00 0.00 C ATOM 1104 O MET A 74 -3.900 1.794 4.362 1.00 0.00 O ATOM 1105 CB MET A 74 -3.087 0.405 7.337 1.00 0.00 C ATOM 1106 CG MET A 74 -1.756 0.542 6.609 1.00 0.00 C ATOM 1107 SD MET A 74 -0.432 1.118 7.689 1.00 0.00 S ATOM 1108 CE MET A 74 -1.076 2.711 8.192 1.00 0.00 C ATOM 0 H MET A 74 -5.219 -0.803 7.535 1.00 0.00 H new ATOM 0 HA MET A 74 -4.583 1.825 6.788 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.055 1.019 8.237 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.200 -0.630 7.661 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.479 -0.422 6.182 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.871 1.238 5.778 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.252 3.413 8.318 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.758 3.085 7.428 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.611 2.606 9.136 1.00 0.00 H new ATOM 1118 N SER A 75 -4.066 -0.429 4.461 1.00 0.00 N ATOM 1119 CA SER A 75 -3.862 -0.584 3.036 1.00 0.00 C ATOM 1120 C SER A 75 -5.138 -0.210 2.286 1.00 0.00 C ATOM 1121 O SER A 75 -5.085 0.286 1.162 1.00 0.00 O ATOM 1122 CB SER A 75 -3.459 -2.021 2.705 1.00 0.00 C ATOM 1123 OG SER A 75 -2.698 -2.592 3.755 1.00 0.00 O ATOM 0 H SER A 75 -4.204 -1.301 4.971 1.00 0.00 H new ATOM 0 HA SER A 75 -3.056 0.080 2.724 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.352 -2.621 2.531 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.880 -2.036 1.782 1.00 0.00 H new ATOM 0 HG SER A 75 -2.454 -3.512 3.520 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.286 -0.457 2.919 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.587 -0.164 2.316 1.00 0.00 C ATOM 1131 C LEU A 76 -7.591 1.186 1.610 1.00 0.00 C ATOM 1132 O LEU A 76 -8.103 1.310 0.501 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.686 -0.225 3.381 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.774 0.849 3.299 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.979 0.408 4.077 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.262 2.168 3.842 1.00 0.00 C ATOM 0 H LEU A 76 -6.341 -0.861 3.854 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.785 -0.923 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.165 -1.202 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.215 -0.160 4.362 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.050 0.989 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.752 1.175 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.360 -0.525 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.702 0.253 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.049 2.919 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.967 2.043 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.401 2.492 3.258 1.00 0.00 H new ATOM 1148 N GLN A 77 -7.031 2.194 2.265 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.986 3.532 1.696 1.00 0.00 C ATOM 1150 C GLN A 77 -5.822 3.678 0.717 1.00 0.00 C ATOM 1151 O GLN A 77 -5.839 4.553 -0.149 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.936 4.597 2.809 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.571 5.236 3.049 1.00 0.00 C ATOM 1154 CD GLN A 77 -5.034 4.925 4.426 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -5.091 3.655 4.796 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -4.574 5.811 5.145 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.603 2.110 3.187 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.903 3.692 1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.648 5.385 2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.272 4.140 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.867 4.880 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.650 6.316 2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.552 6.776 4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.215 5.581 6.071 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.814 2.819 0.853 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.658 2.868 -0.031 1.00 0.00 C ATOM 1167 C TYR A 78 -3.942 2.161 -1.354 1.00 0.00 C ATOM 1168 O TYR A 78 -3.524 2.616 -2.419 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.446 2.211 0.632 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.818 3.030 1.737 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.580 3.507 2.794 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.459 3.310 1.729 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -2.006 4.243 3.811 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.125 4.045 2.744 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.654 4.508 3.783 1.00 0.00 C ATOM 1176 OH TYR A 78 -0.077 5.240 4.796 1.00 0.00 O ATOM 0 H TYR A 78 -4.776 2.087 1.562 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.445 3.919 -0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.748 1.246 1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.693 2.014 -0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.639 3.299 2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.153 2.948 0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.614 4.610 4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.184 4.255 2.723 1.00 0.00 H new ATOM 0 HH TYR A 78 0.883 5.335 4.625 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.626 1.025 -1.269 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.938 0.216 -2.451 1.00 0.00 C ATOM 1188 C LEU A 79 -6.271 0.581 -3.107 1.00 0.00 C ATOM 1189 O LEU A 79 -6.541 0.167 -4.230 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.856 -1.291 -2.135 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.876 -1.902 -1.151 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.210 -2.182 0.180 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.100 -1.026 -0.946 1.00 0.00 C ATOM 0 H LEU A 79 -4.978 0.639 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.171 0.453 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.943 -1.831 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.859 -1.492 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.225 -2.834 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.938 -2.613 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.388 -2.883 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.824 -1.252 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.780 -1.509 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.793 -0.059 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.607 -0.880 -1.900 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.119 1.305 -2.385 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.460 1.675 -2.869 1.00 0.00 C ATOM 1207 C ILE A 80 -8.637 1.511 -4.385 1.00 0.00 C ATOM 1208 O ILE A 80 -7.933 2.123 -5.189 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.810 3.137 -2.518 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.930 4.109 -3.308 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.676 3.387 -1.031 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.449 3.836 -3.181 1.00 0.00 C ATOM 0 H ILE A 80 -6.905 1.655 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.130 0.981 -2.361 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.850 3.309 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.209 4.063 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.133 5.125 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.928 4.425 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.353 2.727 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.650 3.190 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.893 4.566 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.154 3.912 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.231 2.833 -3.548 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.615 0.681 -4.733 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.969 0.402 -6.118 1.00 0.00 C ATOM 1226 C GLY A 81 -8.820 0.434 -7.114 1.00 0.00 C ATOM 1227 O GLY A 81 -9.026 0.777 -8.279 1.00 0.00 O ATOM 0 H GLY A 81 -10.188 0.179 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.436 -0.582 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.720 1.126 -6.434 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.622 0.061 -6.686 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.494 0.045 -7.605 1.00 0.00 C ATOM 1233 C GLY A 82 -6.448 -1.243 -8.408 1.00 0.00 C ATOM 1234 O GLY A 82 -7.486 -1.847 -8.674 1.00 0.00 O ATOM 0 H GLY A 82 -7.409 -0.228 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.564 0.895 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.566 0.159 -7.045 1.00 0.00 H new ATOM 1238 N THR A 83 -5.248 -1.676 -8.785 1.00 0.00 N ATOM 1239 CA THR A 83 -5.089 -2.915 -9.545 1.00 0.00 C ATOM 1240 C THR A 83 -3.744 -3.569 -9.238 1.00 0.00 C ATOM 1241 O THR A 83 -2.702 -2.919 -9.301 1.00 0.00 O ATOM 1242 CB THR A 83 -5.210 -2.657 -11.045 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.547 -2.345 -11.396 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.778 -3.844 -11.878 1.00 0.00 C ATOM 0 H THR A 83 -4.375 -1.191 -8.579 1.00 0.00 H new ATOM 0 HA THR A 83 -5.888 -3.593 -9.244 1.00 0.00 H new ATOM 0 HB THR A 83 -4.547 -1.818 -11.256 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.092 -2.280 -10.584 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.885 -3.604 -12.936 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.736 -4.079 -11.663 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.402 -4.705 -11.636 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.773 -4.859 -8.919 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.548 -5.592 -8.610 1.00 0.00 C ATOM 1254 C VAL A 84 -2.378 -6.801 -9.514 1.00 0.00 C ATOM 1255 O VAL A 84 -3.351 -7.390 -9.982 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.485 -6.061 -7.127 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.744 -5.694 -6.360 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.215 -7.557 -7.023 1.00 0.00 C ATOM 0 H VAL A 84 -4.625 -5.417 -8.868 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.735 -4.887 -8.783 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.650 -5.531 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.657 -6.040 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.873 -4.612 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.607 -6.166 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.178 -7.848 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.012 -8.106 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.261 -7.788 -7.498 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.126 -7.180 -9.725 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.804 -8.341 -10.536 1.00 0.00 C ATOM 1270 C ASP A 85 0.505 -8.960 -10.071 1.00 0.00 C ATOM 1271 O ASP A 85 1.434 -8.252 -9.684 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.723 -7.970 -12.017 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.098 -6.607 -12.247 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.690 -5.601 -11.803 1.00 0.00 O ATOM 1275 OD2 ASP A 85 0.983 -6.547 -12.869 1.00 0.00 O ATOM 0 H ASP A 85 -0.314 -6.696 -9.343 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.602 -9.073 -10.415 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.141 -8.725 -12.545 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.725 -7.982 -12.446 1.00 0.00 H new ATOM 1280 N TYR A 86 0.575 -10.284 -10.101 1.00 0.00 N ATOM 1281 CA TYR A 86 1.773 -10.986 -9.675 1.00 0.00 C ATOM 1282 C TYR A 86 2.454 -11.662 -10.854 1.00 0.00 C ATOM 1283 O TYR A 86 1.794 -12.122 -11.787 1.00 0.00 O ATOM 1284 CB TYR A 86 1.418 -12.020 -8.611 1.00 0.00 C ATOM 1285 CG TYR A 86 2.212 -11.875 -7.336 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.581 -12.093 -7.324 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.590 -11.525 -6.146 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.312 -11.966 -6.160 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.312 -11.396 -4.975 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.674 -11.619 -4.987 1.00 0.00 C ATOM 1291 OH TYR A 86 4.399 -11.493 -3.824 1.00 0.00 O ATOM 0 H TYR A 86 -0.183 -10.890 -10.415 1.00 0.00 H new ATOM 0 HA TYR A 86 2.466 -10.259 -9.252 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.356 -11.939 -8.379 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.580 -13.018 -9.018 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.084 -12.367 -8.240 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.524 -11.351 -6.135 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.378 -12.137 -6.167 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.814 -11.123 -4.057 1.00 0.00 H new ATOM 0 HH TYR A 86 3.800 -11.243 -3.090 1.00 0.00 H new ATOM 1301 N THR A 87 3.775 -11.723 -10.803 1.00 0.00 N ATOM 1302 CA THR A 87 4.544 -12.347 -11.865 1.00 0.00 C ATOM 1303 C THR A 87 5.821 -12.971 -11.317 1.00 0.00 C ATOM 1304 O THR A 87 6.867 -12.328 -11.264 1.00 0.00 O ATOM 1305 CB THR A 87 4.885 -11.323 -12.948 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.706 -10.751 -13.485 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.678 -11.908 -14.098 1.00 0.00 C ATOM 0 H THR A 87 4.336 -11.348 -10.038 1.00 0.00 H new ATOM 0 HA THR A 87 3.935 -13.137 -12.304 1.00 0.00 H new ATOM 0 HB THR A 87 5.498 -10.571 -12.452 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.945 -10.097 -14.175 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.886 -11.128 -14.830 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.618 -12.314 -13.723 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.102 -12.704 -14.570 1.00 0.00 H new ATOM 1413 N PHE A 95 6.089 -8.294 -7.584 1.00 0.00 N ATOM 1414 CA PHE A 95 4.734 -7.836 -7.304 1.00 0.00 C ATOM 1415 C PHE A 95 4.553 -6.385 -7.730 1.00 0.00 C ATOM 1416 O PHE A 95 5.426 -5.549 -7.499 1.00 0.00 O ATOM 1417 CB PHE A 95 4.419 -7.980 -5.813 1.00 0.00 C ATOM 1418 CG PHE A 95 2.949 -7.936 -5.508 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.048 -8.617 -6.308 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.469 -7.213 -4.426 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.696 -8.579 -6.038 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.116 -7.174 -4.150 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.230 -7.858 -4.959 1.00 0.00 C ATOM 0 HA PHE A 95 4.044 -8.456 -7.876 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.830 -8.923 -5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.921 -7.183 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.408 -9.185 -7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.160 -6.675 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.003 -9.113 -6.671 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.752 -6.610 -3.304 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.828 -7.828 -4.746 1.00 0.00 H new ATOM 1433 N THR A 96 3.416 -6.088 -8.354 1.00 0.00 N ATOM 1434 CA THR A 96 3.146 -4.725 -8.806 1.00 0.00 C ATOM 1435 C THR A 96 1.667 -4.369 -8.696 1.00 0.00 C ATOM 1436 O THR A 96 0.804 -5.066 -9.229 1.00 0.00 O ATOM 1437 CB THR A 96 3.610 -4.536 -10.250 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.589 -5.499 -10.595 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.196 -3.165 -10.513 1.00 0.00 C ATOM 0 H THR A 96 2.677 -6.761 -8.556 1.00 0.00 H new ATOM 0 HA THR A 96 3.705 -4.056 -8.152 1.00 0.00 H new ATOM 0 HB THR A 96 2.714 -4.654 -10.860 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.871 -5.361 -11.523 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.506 -3.096 -11.556 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.445 -2.403 -10.306 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.060 -3.008 -9.867 1.00 0.00 H new ATOM 1447 N VAL A 97 1.391 -3.265 -8.010 1.00 0.00 N ATOM 1448 CA VAL A 97 0.023 -2.784 -7.831 1.00 0.00 C ATOM 1449 C VAL A 97 -0.104 -1.354 -8.349 1.00 0.00 C ATOM 1450 O VAL A 97 0.899 -0.663 -8.524 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.419 -2.826 -6.349 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.927 -2.975 -6.238 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.278 -3.954 -5.602 1.00 0.00 C ATOM 0 H VAL A 97 2.101 -2.682 -7.566 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.627 -3.449 -8.399 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.129 -1.881 -5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.214 -3.002 -5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.413 -2.129 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.238 -3.900 -6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.051 -3.960 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.028 -4.907 -6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.357 -3.803 -5.640 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.331 -0.914 -8.609 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.557 0.435 -9.118 1.00 0.00 C ATOM 1465 C ASN A 98 -2.800 1.068 -8.498 1.00 0.00 C ATOM 1466 O ASN A 98 -3.866 0.458 -8.455 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.692 0.405 -10.642 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.491 -0.231 -11.313 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.643 0.214 -11.132 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.732 -1.278 -12.094 1.00 0.00 N ATOM 0 H ASN A 98 -2.178 -1.466 -8.477 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.697 1.044 -8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.592 -0.147 -10.914 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.817 1.422 -11.014 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.038 -1.746 -12.572 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.687 -1.614 -12.216 1.00 0.00 H new