USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 732 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 72 SER OG : rot -122:sc= 1.11 USER MOD Set 1.2: A 97 THR OG1 : rot -154:sc= 1.14 USER MOD Set 2.1: A 32 ASN :FLIP amide:sc= 0.387 F(o=0.33,f=0.99) USER MOD Set 2.2: A 39 TYR OH : rot 70:sc= 0.603 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 23 SER OG : rot 180:sc= -0.674 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0931 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.0888 USER MOD Single : A 25 THR OG1 : rot -160:sc= -0.223 USER MOD Single : A 27 THR OG1 : rot -31:sc= 0.642 USER MOD Single : A 30 SER OG : rot 180:sc= -0.156 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0782 USER MOD Single : A 42 GLN : amide:sc= -2.37 K(o=-2.4,f=-18!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00427 USER MOD Single : A 53 GLN : amide:sc= -0.0404 K(o=-0.04,f=-0.71) USER MOD Single : A 60 THR OG1 : rot 114:sc= 0.0428 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.33 K(o=-2.3,f=-12!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 123:sc= 1.17 USER MOD Single : A 100 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.1) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.443 -21.953 17.666 1.00 0.00 N ATOM 2 CA GLY A 1 10.403 -20.901 16.667 1.00 0.00 C ATOM 3 C GLY A 1 11.287 -21.201 15.473 1.00 0.00 C ATOM 4 O GLY A 1 12.038 -22.177 15.478 1.00 0.00 O ATOM 0 H1 GLY A 1 9.502 -22.387 17.751 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.134 -22.676 17.381 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.722 -21.550 18.583 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.376 -20.764 16.329 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.717 -19.961 17.121 1.00 0.00 H new ATOM 8 N SER A 2 11.197 -20.362 14.446 1.00 0.00 N ATOM 9 CA SER A 2 11.990 -20.547 13.237 1.00 0.00 C ATOM 10 C SER A 2 13.136 -19.541 13.181 1.00 0.00 C ATOM 11 O SER A 2 12.968 -18.371 13.526 1.00 0.00 O ATOM 12 CB SER A 2 11.108 -20.401 11.995 1.00 0.00 C ATOM 13 OG SER A 2 10.111 -21.407 11.957 1.00 0.00 O ATOM 0 H SER A 2 10.583 -19.548 14.427 1.00 0.00 H new ATOM 0 HA SER A 2 12.411 -21.552 13.259 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.637 -19.418 11.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.724 -20.461 11.098 1.00 0.00 H new ATOM 0 HG SER A 2 9.560 -21.291 11.155 1.00 0.00 H new ATOM 19 N SER A 3 14.302 -20.006 12.743 1.00 0.00 N ATOM 20 CA SER A 3 15.478 -19.149 12.645 1.00 0.00 C ATOM 21 C SER A 3 16.209 -19.379 11.325 1.00 0.00 C ATOM 22 O SER A 3 16.338 -20.511 10.863 1.00 0.00 O ATOM 23 CB SER A 3 16.426 -19.412 13.817 1.00 0.00 C ATOM 24 OG SER A 3 17.436 -18.421 13.888 1.00 0.00 O ATOM 0 H SER A 3 14.457 -20.971 12.451 1.00 0.00 H new ATOM 0 HA SER A 3 15.145 -18.112 12.681 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.861 -19.428 14.749 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.884 -20.395 13.705 1.00 0.00 H new ATOM 0 HG SER A 3 18.028 -18.611 14.646 1.00 0.00 H new ATOM 30 N GLY A 4 16.685 -18.293 10.723 1.00 0.00 N ATOM 31 CA GLY A 4 17.396 -18.395 9.462 1.00 0.00 C ATOM 32 C GLY A 4 17.005 -17.305 8.485 1.00 0.00 C ATOM 33 O GLY A 4 15.911 -17.332 7.920 1.00 0.00 O ATOM 0 H GLY A 4 16.591 -17.345 11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.469 -18.344 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.197 -19.368 9.014 1.00 0.00 H new ATOM 37 N SER A 5 17.899 -16.342 8.286 1.00 0.00 N ATOM 38 CA SER A 5 17.638 -15.234 7.374 1.00 0.00 C ATOM 39 C SER A 5 17.932 -15.636 5.932 1.00 0.00 C ATOM 40 O SER A 5 19.046 -15.454 5.440 1.00 0.00 O ATOM 41 CB SER A 5 18.485 -14.019 7.760 1.00 0.00 C ATOM 42 OG SER A 5 17.809 -13.204 8.702 1.00 0.00 O ATOM 0 H SER A 5 18.810 -16.306 8.744 1.00 0.00 H new ATOM 0 HA SER A 5 16.583 -14.972 7.451 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.435 -14.352 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.716 -13.435 6.869 1.00 0.00 H new ATOM 0 HG SER A 5 18.372 -12.436 8.933 1.00 0.00 H new ATOM 48 N SER A 6 16.925 -16.185 5.261 1.00 0.00 N ATOM 49 CA SER A 6 17.075 -16.617 3.876 1.00 0.00 C ATOM 50 C SER A 6 16.713 -15.491 2.913 1.00 0.00 C ATOM 51 O SER A 6 15.564 -15.366 2.490 1.00 0.00 O ATOM 52 CB SER A 6 16.197 -17.839 3.603 1.00 0.00 C ATOM 53 OG SER A 6 16.724 -18.621 2.545 1.00 0.00 O ATOM 0 H SER A 6 15.997 -16.341 5.653 1.00 0.00 H new ATOM 0 HA SER A 6 18.119 -16.886 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.123 -18.446 4.505 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.187 -17.516 3.352 1.00 0.00 H new ATOM 0 HG SER A 6 16.145 -19.397 2.392 1.00 0.00 H new ATOM 59 N GLY A 7 17.703 -14.672 2.570 1.00 0.00 N ATOM 60 CA GLY A 7 17.469 -13.566 1.660 1.00 0.00 C ATOM 61 C GLY A 7 17.588 -12.218 2.342 1.00 0.00 C ATOM 62 O GLY A 7 18.160 -12.095 3.426 1.00 0.00 O ATOM 0 H GLY A 7 18.662 -14.755 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.184 -13.618 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.475 -13.663 1.224 1.00 0.00 H new ATOM 66 N PRO A 8 17.041 -11.175 1.701 1.00 0.00 N ATOM 67 CA PRO A 8 17.076 -9.810 2.234 1.00 0.00 C ATOM 68 C PRO A 8 16.190 -9.645 3.464 1.00 0.00 C ATOM 69 O PRO A 8 15.526 -10.588 3.895 1.00 0.00 O ATOM 70 CB PRO A 8 16.546 -8.962 1.075 1.00 0.00 C ATOM 71 CG PRO A 8 15.700 -9.895 0.279 1.00 0.00 C ATOM 72 CD PRO A 8 16.344 -11.248 0.406 1.00 0.00 C ATOM 0 HA PRO A 8 18.076 -9.527 2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.966 -8.114 1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.361 -8.557 0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.677 -9.913 0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.650 -9.583 -0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.604 -12.048 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 8 17.037 -11.441 -0.413 1.00 0.00 H new ATOM 80 N LYS A 9 16.182 -8.440 4.024 1.00 0.00 N ATOM 81 CA LYS A 9 15.375 -8.150 5.204 1.00 0.00 C ATOM 82 C LYS A 9 14.221 -7.216 4.857 1.00 0.00 C ATOM 83 O LYS A 9 14.284 -6.440 3.903 1.00 0.00 O ATOM 84 CB LYS A 9 16.242 -7.522 6.298 1.00 0.00 C ATOM 85 CG LYS A 9 17.235 -8.490 6.918 1.00 0.00 C ATOM 86 CD LYS A 9 16.563 -9.411 7.922 1.00 0.00 C ATOM 87 CE LYS A 9 16.361 -8.721 9.262 1.00 0.00 C ATOM 88 NZ LYS A 9 16.272 -9.699 10.382 1.00 0.00 N ATOM 0 H LYS A 9 16.725 -7.648 3.680 1.00 0.00 H new ATOM 0 HA LYS A 9 14.961 -9.089 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.786 -6.676 5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.595 -7.127 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.703 -9.085 6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 9 18.030 -7.931 7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.599 -9.737 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.170 -10.306 8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.187 -8.034 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.450 -8.123 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.134 -9.189 11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.468 -10.339 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.151 -10.253 10.430 1.00 0.00 H new ATOM 102 N PRO A 10 13.141 -7.288 5.649 1.00 0.00 N ATOM 103 CA PRO A 10 11.953 -6.454 5.446 1.00 0.00 C ATOM 104 C PRO A 10 12.212 -4.987 5.769 1.00 0.00 C ATOM 105 O PRO A 10 13.020 -4.650 6.635 1.00 0.00 O ATOM 106 CB PRO A 10 10.933 -7.045 6.423 1.00 0.00 C ATOM 107 CG PRO A 10 11.756 -7.685 7.488 1.00 0.00 C ATOM 108 CD PRO A 10 12.997 -8.190 6.804 1.00 0.00 C ATOM 0 HA PRO A 10 11.623 -6.462 4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.285 -6.271 6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.288 -7.772 5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.006 -6.969 8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.213 -8.501 7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.865 -8.143 7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.889 -9.229 6.492 1.00 0.00 H new ATOM 116 N PRO A 11 11.512 -4.091 5.058 1.00 0.00 N ATOM 117 CA PRO A 11 11.649 -2.644 5.253 1.00 0.00 C ATOM 118 C PRO A 11 11.073 -2.182 6.587 1.00 0.00 C ATOM 119 O PRO A 11 10.229 -2.857 7.177 1.00 0.00 O ATOM 120 CB PRO A 11 10.847 -2.052 4.091 1.00 0.00 C ATOM 121 CG PRO A 11 9.853 -3.106 3.741 1.00 0.00 C ATOM 122 CD PRO A 11 10.531 -4.421 4.010 1.00 0.00 C ATOM 0 HA PRO A 11 12.693 -2.332 5.271 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.354 -1.124 4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.491 -1.818 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.948 -3.004 4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.553 -3.028 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.822 -5.177 4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.015 -4.814 3.116 1.00 0.00 H new ATOM 130 N ILE A 12 11.535 -1.028 7.057 1.00 0.00 N ATOM 131 CA ILE A 12 11.064 -0.475 8.321 1.00 0.00 C ATOM 132 C ILE A 12 10.488 0.924 8.129 1.00 0.00 C ATOM 133 O ILE A 12 10.435 1.436 7.011 1.00 0.00 O ATOM 134 CB ILE A 12 12.195 -0.414 9.365 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.305 0.527 8.892 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.750 -1.806 9.627 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.292 0.892 9.978 1.00 0.00 C ATOM 0 H ILE A 12 12.235 -0.458 6.582 1.00 0.00 H new ATOM 0 HA ILE A 12 10.281 -1.141 8.684 1.00 0.00 H new ATOM 0 HB ILE A 12 11.787 -0.025 10.298 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.842 0.057 8.068 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.855 1.439 8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.548 -1.746 10.367 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.955 -2.450 10.003 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.145 -2.221 8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.050 1.561 9.571 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.768 1.391 10.793 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.770 -0.012 10.354 1.00 0.00 H new ATOM 149 N ASP A 13 10.060 1.537 9.227 1.00 0.00 N ATOM 150 CA ASP A 13 9.491 2.878 9.181 1.00 0.00 C ATOM 151 C ASP A 13 8.302 2.932 8.226 1.00 0.00 C ATOM 152 O ASP A 13 8.063 3.947 7.571 1.00 0.00 O ATOM 153 CB ASP A 13 10.552 3.892 8.750 1.00 0.00 C ATOM 154 CG ASP A 13 10.312 5.268 9.337 1.00 0.00 C ATOM 155 OD1 ASP A 13 9.736 5.349 10.443 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.700 6.264 8.693 1.00 0.00 O ATOM 0 H ASP A 13 10.096 1.126 10.160 1.00 0.00 H new ATOM 0 HA ASP A 13 9.143 3.131 10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.536 3.536 9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.563 3.961 7.662 1.00 0.00 H new ATOM 161 N LEU A 14 7.559 1.832 8.153 1.00 0.00 N ATOM 162 CA LEU A 14 6.395 1.753 7.278 1.00 0.00 C ATOM 163 C LEU A 14 5.246 2.595 7.822 1.00 0.00 C ATOM 164 O LEU A 14 4.506 2.158 8.704 1.00 0.00 O ATOM 165 CB LEU A 14 5.947 0.298 7.122 1.00 0.00 C ATOM 166 CG LEU A 14 5.105 -0.017 5.885 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.970 -0.006 4.634 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.408 -1.360 6.043 1.00 0.00 C ATOM 0 H LEU A 14 7.742 0.984 8.689 1.00 0.00 H new ATOM 0 HA LEU A 14 6.678 2.146 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.835 -0.334 7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.375 0.018 8.007 1.00 0.00 H new ATOM 0 HG LEU A 14 4.343 0.755 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.354 -0.232 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.422 0.978 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.755 -0.756 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.813 -1.568 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.154 -2.144 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.757 -1.331 6.916 1.00 0.00 H new ATOM 180 N VAL A 15 5.101 3.804 7.290 1.00 0.00 N ATOM 181 CA VAL A 15 4.039 4.707 7.720 1.00 0.00 C ATOM 182 C VAL A 15 3.372 5.378 6.525 1.00 0.00 C ATOM 183 O VAL A 15 3.969 5.505 5.456 1.00 0.00 O ATOM 184 CB VAL A 15 4.577 5.793 8.671 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.498 6.226 9.651 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.809 5.291 9.409 1.00 0.00 C ATOM 0 H VAL A 15 5.705 4.181 6.560 1.00 0.00 H new ATOM 0 HA VAL A 15 3.304 4.102 8.251 1.00 0.00 H new ATOM 0 HB VAL A 15 4.865 6.661 8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.896 6.993 10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.647 6.628 9.101 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.176 5.368 10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.176 6.071 10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.549 4.407 9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.586 5.035 8.688 1.00 0.00 H new ATOM 196 N VAL A 16 2.128 5.808 6.714 1.00 0.00 N ATOM 197 CA VAL A 16 1.378 6.469 5.652 1.00 0.00 C ATOM 198 C VAL A 16 1.395 7.983 5.828 1.00 0.00 C ATOM 199 O VAL A 16 0.813 8.517 6.774 1.00 0.00 O ATOM 200 CB VAL A 16 -0.083 5.984 5.612 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.834 6.646 4.466 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.138 4.469 5.491 1.00 0.00 C ATOM 0 H VAL A 16 1.619 5.710 7.592 1.00 0.00 H new ATOM 0 HA VAL A 16 1.865 6.210 4.712 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.568 6.269 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.865 6.291 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.824 7.728 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.352 6.394 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.178 4.144 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.363 4.159 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.361 4.017 6.348 1.00 0.00 H new ATOM 212 N THR A 17 2.065 8.673 4.911 1.00 0.00 N ATOM 213 CA THR A 17 2.159 10.127 4.964 1.00 0.00 C ATOM 214 C THR A 17 0.912 10.780 4.379 1.00 0.00 C ATOM 215 O THR A 17 0.292 11.633 5.013 1.00 0.00 O ATOM 216 CB THR A 17 3.397 10.638 4.205 1.00 0.00 C ATOM 217 OG1 THR A 17 3.498 12.061 4.333 1.00 0.00 O ATOM 218 CG2 THR A 17 3.323 10.261 2.733 1.00 0.00 C ATOM 0 H THR A 17 2.551 8.248 4.122 1.00 0.00 H new ATOM 0 HA THR A 17 2.249 10.400 6.015 1.00 0.00 H new ATOM 0 HB THR A 17 4.280 10.171 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.289 12.378 3.849 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.208 10.633 2.217 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.276 9.176 2.637 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.432 10.704 2.288 1.00 0.00 H new ATOM 226 N GLU A 18 0.550 10.373 3.166 1.00 0.00 N ATOM 227 CA GLU A 18 -0.624 10.920 2.496 1.00 0.00 C ATOM 228 C GLU A 18 -1.633 9.819 2.183 1.00 0.00 C ATOM 229 O GLU A 18 -1.263 8.667 1.956 1.00 0.00 O ATOM 230 CB GLU A 18 -0.215 11.635 1.207 1.00 0.00 C ATOM 231 CG GLU A 18 0.576 12.911 1.443 1.00 0.00 C ATOM 232 CD GLU A 18 0.792 13.707 0.171 1.00 0.00 C ATOM 233 OE1 GLU A 18 1.497 13.207 -0.731 1.00 0.00 O ATOM 234 OE2 GLU A 18 0.255 14.831 0.076 1.00 0.00 O ATOM 0 H GLU A 18 1.052 9.667 2.628 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.094 11.639 3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.381 10.955 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.111 11.874 0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.051 13.530 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.543 12.659 1.878 1.00 0.00 H new ATOM 241 N THR A 19 -2.912 10.183 2.172 1.00 0.00 N ATOM 242 CA THR A 19 -3.976 9.228 1.888 1.00 0.00 C ATOM 243 C THR A 19 -5.057 9.853 1.013 1.00 0.00 C ATOM 244 O THR A 19 -5.788 10.742 1.451 1.00 0.00 O ATOM 245 CB THR A 19 -4.620 8.703 3.185 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.550 9.704 4.207 1.00 0.00 O ATOM 247 CG2 THR A 19 -3.926 7.436 3.660 1.00 0.00 C ATOM 0 H THR A 19 -3.236 11.132 2.357 1.00 0.00 H new ATOM 0 HA THR A 19 -3.519 8.394 1.355 1.00 0.00 H new ATOM 0 HB THR A 19 -5.664 8.469 2.977 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.963 9.363 5.028 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.398 7.084 4.577 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.007 6.667 2.892 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.874 7.647 3.852 1.00 0.00 H new ATOM 255 N THR A 20 -5.155 9.382 -0.226 1.00 0.00 N ATOM 256 CA THR A 20 -6.147 9.895 -1.163 1.00 0.00 C ATOM 257 C THR A 20 -7.365 8.981 -1.229 1.00 0.00 C ATOM 258 O THR A 20 -7.288 7.803 -0.881 1.00 0.00 O ATOM 259 CB THR A 20 -5.557 10.049 -2.577 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.150 10.301 -2.497 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.238 11.184 -3.327 1.00 0.00 C ATOM 0 H THR A 20 -4.559 8.646 -0.604 1.00 0.00 H new ATOM 0 HA THR A 20 -6.451 10.875 -0.796 1.00 0.00 H new ATOM 0 HB THR A 20 -5.729 9.120 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.812 10.553 -3.382 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.805 11.274 -4.323 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.304 10.975 -3.413 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.094 12.118 -2.783 1.00 0.00 H new ATOM 269 N ALA A 21 -8.488 9.532 -1.677 1.00 0.00 N ATOM 270 CA ALA A 21 -9.722 8.765 -1.792 1.00 0.00 C ATOM 271 C ALA A 21 -9.488 7.456 -2.539 1.00 0.00 C ATOM 272 O ALA A 21 -9.879 6.385 -2.075 1.00 0.00 O ATOM 273 CB ALA A 21 -10.794 9.589 -2.490 1.00 0.00 C ATOM 0 H ALA A 21 -8.569 10.507 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.064 8.523 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.710 9.003 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.990 10.493 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.451 9.862 -3.488 1.00 0.00 H new ATOM 279 N THR A 22 -8.848 7.550 -3.700 1.00 0.00 N ATOM 280 CA THR A 22 -8.563 6.374 -4.513 1.00 0.00 C ATOM 281 C THR A 22 -7.061 6.154 -4.655 1.00 0.00 C ATOM 282 O THR A 22 -6.599 5.579 -5.641 1.00 0.00 O ATOM 283 CB THR A 22 -9.187 6.497 -5.916 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.444 7.434 -6.703 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.639 6.943 -5.825 1.00 0.00 C ATOM 0 H THR A 22 -8.517 8.429 -4.099 1.00 0.00 H new ATOM 0 HA THR A 22 -9.005 5.520 -4.000 1.00 0.00 H new ATOM 0 HB THR A 22 -9.153 5.517 -6.391 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.846 7.505 -7.594 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.059 7.023 -6.828 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.209 6.213 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.691 7.913 -5.331 1.00 0.00 H new ATOM 293 N SER A 23 -6.304 6.615 -3.665 1.00 0.00 N ATOM 294 CA SER A 23 -4.853 6.470 -3.681 1.00 0.00 C ATOM 295 C SER A 23 -4.275 6.638 -2.279 1.00 0.00 C ATOM 296 O SER A 23 -4.941 7.146 -1.377 1.00 0.00 O ATOM 297 CB SER A 23 -4.228 7.496 -4.629 1.00 0.00 C ATOM 298 OG SER A 23 -5.104 7.800 -5.701 1.00 0.00 O ATOM 0 H SER A 23 -6.671 7.092 -2.842 1.00 0.00 H new ATOM 0 HA SER A 23 -4.616 5.467 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.991 8.407 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.288 7.108 -5.022 1.00 0.00 H new ATOM 0 HG SER A 23 -4.682 8.458 -6.292 1.00 0.00 H new ATOM 304 N VAL A 24 -3.030 6.207 -2.104 1.00 0.00 N ATOM 305 CA VAL A 24 -2.359 6.310 -0.813 1.00 0.00 C ATOM 306 C VAL A 24 -0.846 6.373 -0.984 1.00 0.00 C ATOM 307 O VAL A 24 -0.300 5.886 -1.974 1.00 0.00 O ATOM 308 CB VAL A 24 -2.713 5.121 0.099 1.00 0.00 C ATOM 309 CG1 VAL A 24 -1.989 5.236 1.432 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.218 5.038 0.306 1.00 0.00 C ATOM 0 H VAL A 24 -2.465 5.783 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.707 7.232 -0.347 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.385 4.202 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.252 4.387 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.912 5.242 1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.284 6.161 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.450 4.192 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.573 5.958 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.711 4.904 -0.657 1.00 0.00 H new ATOM 320 N THR A 25 -0.171 6.977 -0.010 1.00 0.00 N ATOM 321 CA THR A 25 1.280 7.104 -0.052 1.00 0.00 C ATOM 322 C THR A 25 1.931 6.365 1.111 1.00 0.00 C ATOM 323 O THR A 25 1.593 6.594 2.273 1.00 0.00 O ATOM 324 CB THR A 25 1.716 8.582 -0.014 1.00 0.00 C ATOM 325 OG1 THR A 25 1.045 9.316 -1.044 1.00 0.00 O ATOM 326 CG2 THR A 25 3.221 8.707 -0.193 1.00 0.00 C ATOM 0 H THR A 25 -0.607 7.386 0.817 1.00 0.00 H new ATOM 0 HA THR A 25 1.609 6.659 -0.991 1.00 0.00 H new ATOM 0 HB THR A 25 1.447 8.993 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.536 10.144 -1.228 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.505 9.759 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.729 8.171 0.609 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.510 8.281 -1.154 1.00 0.00 H new ATOM 334 N LEU A 26 2.866 5.477 0.793 1.00 0.00 N ATOM 335 CA LEU A 26 3.566 4.703 1.812 1.00 0.00 C ATOM 336 C LEU A 26 5.039 5.093 1.876 1.00 0.00 C ATOM 337 O LEU A 26 5.673 5.341 0.850 1.00 0.00 O ATOM 338 CB LEU A 26 3.435 3.206 1.524 1.00 0.00 C ATOM 339 CG LEU A 26 3.597 2.275 2.726 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.687 2.709 3.864 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.307 0.835 2.328 1.00 0.00 C ATOM 0 H LEU A 26 3.157 5.275 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 26 3.109 4.922 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.456 3.026 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.179 2.934 0.776 1.00 0.00 H new ATOM 0 HG LEU A 26 4.629 2.335 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.816 2.035 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.942 3.725 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.649 2.679 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.427 0.186 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.285 0.759 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.001 0.527 1.546 1.00 0.00 H new ATOM 353 N THR A 27 5.580 5.143 3.090 1.00 0.00 N ATOM 354 CA THR A 27 6.979 5.501 3.288 1.00 0.00 C ATOM 355 C THR A 27 7.680 4.498 4.196 1.00 0.00 C ATOM 356 O THR A 27 7.137 4.090 5.223 1.00 0.00 O ATOM 357 CB THR A 27 7.117 6.910 3.896 1.00 0.00 C ATOM 358 OG1 THR A 27 6.375 6.992 5.117 1.00 0.00 O ATOM 359 CG2 THR A 27 6.622 7.970 2.923 1.00 0.00 C ATOM 0 H THR A 27 5.070 4.940 3.950 1.00 0.00 H new ATOM 0 HA THR A 27 7.451 5.489 2.305 1.00 0.00 H new ATOM 0 HB THR A 27 8.172 7.092 4.100 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.599 6.396 5.069 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.729 8.956 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.209 7.925 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.572 7.789 2.691 1.00 0.00 H new ATOM 367 N TRP A 28 8.889 4.104 3.812 1.00 0.00 N ATOM 368 CA TRP A 28 9.665 3.147 4.594 1.00 0.00 C ATOM 369 C TRP A 28 11.154 3.285 4.299 1.00 0.00 C ATOM 370 O TRP A 28 11.562 4.115 3.486 1.00 0.00 O ATOM 371 CB TRP A 28 9.203 1.720 4.295 1.00 0.00 C ATOM 372 CG TRP A 28 9.518 1.274 2.899 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.584 0.520 2.500 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.759 1.556 1.718 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.534 0.316 1.142 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.424 0.941 0.639 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.582 2.266 1.467 1.00 0.00 C ATOM 378 CZ2 TRP A 28 8.950 1.017 -0.668 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.113 2.341 0.169 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.796 1.719 -0.885 1.00 0.00 C ATOM 0 H TRP A 28 9.353 4.432 2.965 1.00 0.00 H new ATOM 0 HA TRP A 28 9.502 3.360 5.650 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.675 1.037 5.002 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.127 1.653 4.456 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.354 0.140 3.155 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.213 -0.215 0.597 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.048 2.748 2.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.475 0.539 -1.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.205 2.888 -0.037 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.404 1.795 -1.888 1.00 0.00 H new ATOM 391 N ASP A 29 11.963 2.467 4.965 1.00 0.00 N ATOM 392 CA ASP A 29 13.408 2.497 4.773 1.00 0.00 C ATOM 393 C ASP A 29 13.918 1.150 4.272 1.00 0.00 C ATOM 394 O ASP A 29 13.238 0.131 4.399 1.00 0.00 O ATOM 395 CB ASP A 29 14.110 2.869 6.080 1.00 0.00 C ATOM 396 CG ASP A 29 15.546 3.304 5.863 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.757 4.456 5.428 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.458 2.494 6.128 1.00 0.00 O ATOM 0 H ASP A 29 11.642 1.775 5.642 1.00 0.00 H new ATOM 0 HA ASP A 29 13.634 3.253 4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.560 3.673 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.091 2.014 6.755 1.00 0.00 H new ATOM 403 N SER A 30 15.119 1.152 3.702 1.00 0.00 N ATOM 404 CA SER A 30 15.718 -0.070 3.178 1.00 0.00 C ATOM 405 C SER A 30 15.573 -1.217 4.173 1.00 0.00 C ATOM 406 O SER A 30 15.117 -2.304 3.822 1.00 0.00 O ATOM 407 CB SER A 30 17.197 0.159 2.858 1.00 0.00 C ATOM 408 OG SER A 30 17.933 0.451 4.032 1.00 0.00 O ATOM 0 H SER A 30 15.696 1.986 3.591 1.00 0.00 H new ATOM 0 HA SER A 30 15.192 -0.339 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.610 -0.728 2.377 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.296 0.981 2.149 1.00 0.00 H new ATOM 0 HG SER A 30 18.875 0.592 3.801 1.00 0.00 H new ATOM 414 N GLY A 31 15.966 -0.965 5.418 1.00 0.00 N ATOM 415 CA GLY A 31 15.872 -1.985 6.446 1.00 0.00 C ATOM 416 C GLY A 31 17.044 -2.946 6.418 1.00 0.00 C ATOM 417 O GLY A 31 17.623 -3.260 7.457 1.00 0.00 O ATOM 0 H GLY A 31 16.348 -0.073 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.821 -1.507 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.945 -2.543 6.316 1.00 0.00 H new ATOM 421 N ASN A 32 17.393 -3.416 5.225 1.00 0.00 N ATOM 422 CA ASN A 32 18.503 -4.349 5.065 1.00 0.00 C ATOM 423 C ASN A 32 19.820 -3.602 4.884 1.00 0.00 C ATOM 424 O ASN A 32 19.833 -2.421 4.535 1.00 0.00 O ATOM 425 CB ASN A 32 18.255 -5.268 3.868 1.00 0.00 C ATOM 426 CG ASN A 32 17.402 -4.610 2.800 1.00 0.00 C ATOM 427 OD1 ASN A 32 16.133 -4.994 2.738 1.00 0.00 O flip ATOM 428 ND2 ASN A 32 17.880 -3.767 2.041 1.00 0.00 N flip ATOM 0 H ASN A 32 16.923 -3.166 4.355 1.00 0.00 H new ATOM 0 HA ASN A 32 18.571 -4.953 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.211 -5.562 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.765 -6.180 4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.862 -3.503 2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.295 -3.333 1.327 1.00 0.00 H new ATOM 435 N SER A 33 20.927 -4.298 5.121 1.00 0.00 N ATOM 436 CA SER A 33 22.250 -3.701 4.986 1.00 0.00 C ATOM 437 C SER A 33 22.505 -3.264 3.547 1.00 0.00 C ATOM 438 O SER A 33 22.636 -2.074 3.263 1.00 0.00 O ATOM 439 CB SER A 33 23.328 -4.692 5.429 1.00 0.00 C ATOM 440 OG SER A 33 23.186 -5.933 4.760 1.00 0.00 O ATOM 0 H SER A 33 20.934 -5.277 5.408 1.00 0.00 H new ATOM 0 HA SER A 33 22.291 -2.820 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 33 24.315 -4.276 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 33 23.264 -4.847 6.506 1.00 0.00 H new ATOM 0 HG SER A 33 23.888 -6.548 5.059 1.00 0.00 H new ATOM 446 N GLU A 34 22.574 -4.236 2.643 1.00 0.00 N ATOM 447 CA GLU A 34 22.814 -3.952 1.233 1.00 0.00 C ATOM 448 C GLU A 34 21.499 -3.736 0.490 1.00 0.00 C ATOM 449 O GLU A 34 20.475 -4.345 0.799 1.00 0.00 O ATOM 450 CB GLU A 34 23.596 -5.097 0.586 1.00 0.00 C ATOM 451 CG GLU A 34 22.840 -6.415 0.564 1.00 0.00 C ATOM 452 CD GLU A 34 23.060 -7.235 1.820 1.00 0.00 C ATOM 453 OE1 GLU A 34 24.233 -7.439 2.196 1.00 0.00 O ATOM 454 OE2 GLU A 34 22.060 -7.673 2.426 1.00 0.00 O ATOM 0 H GLU A 34 22.467 -5.227 2.862 1.00 0.00 H new ATOM 0 HA GLU A 34 23.402 -3.037 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 34 23.853 -4.818 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 34 24.534 -5.235 1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.775 -6.216 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 34 23.154 -6.995 -0.304 1.00 0.00 H new ATOM 461 N PRO A 35 21.527 -2.847 -0.514 1.00 0.00 N ATOM 462 CA PRO A 35 20.346 -2.529 -1.322 1.00 0.00 C ATOM 463 C PRO A 35 19.935 -3.685 -2.227 1.00 0.00 C ATOM 464 O PRO A 35 20.748 -4.213 -2.985 1.00 0.00 O ATOM 465 CB PRO A 35 20.801 -1.331 -2.159 1.00 0.00 C ATOM 466 CG PRO A 35 22.283 -1.465 -2.238 1.00 0.00 C ATOM 467 CD PRO A 35 22.713 -2.084 -0.937 1.00 0.00 C ATOM 0 HA PRO A 35 19.471 -2.327 -0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 35 20.349 -1.346 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 35 20.513 -0.389 -1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 35 22.574 -2.090 -3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 35 22.755 -0.493 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 35 23.581 -2.730 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 35 22.987 -1.326 -0.203 1.00 0.00 H new ATOM 475 N VAL A 36 18.666 -4.074 -2.143 1.00 0.00 N ATOM 476 CA VAL A 36 18.146 -5.167 -2.955 1.00 0.00 C ATOM 477 C VAL A 36 17.779 -4.685 -4.355 1.00 0.00 C ATOM 478 O VAL A 36 17.919 -3.504 -4.674 1.00 0.00 O ATOM 479 CB VAL A 36 16.907 -5.810 -2.305 1.00 0.00 C ATOM 480 CG1 VAL A 36 17.303 -6.600 -1.067 1.00 0.00 C ATOM 481 CG2 VAL A 36 15.874 -4.747 -1.961 1.00 0.00 C ATOM 0 H VAL A 36 17.980 -3.648 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 36 18.938 -5.913 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 36 16.460 -6.501 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.415 -7.047 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 36 18.004 -7.387 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.775 -5.933 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.005 -5.219 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 36 16.308 -4.030 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 36 15.568 -4.229 -2.870 1.00 0.00 H new ATOM 491 N THR A 37 17.308 -5.608 -5.188 1.00 0.00 N ATOM 492 CA THR A 37 16.922 -5.278 -6.554 1.00 0.00 C ATOM 493 C THR A 37 15.694 -4.375 -6.575 1.00 0.00 C ATOM 494 O THR A 37 15.698 -3.320 -7.210 1.00 0.00 O ATOM 495 CB THR A 37 16.626 -6.547 -7.376 1.00 0.00 C ATOM 496 OG1 THR A 37 17.757 -7.424 -7.347 1.00 0.00 O ATOM 497 CG2 THR A 37 16.289 -6.192 -8.816 1.00 0.00 C ATOM 0 H THR A 37 17.185 -6.590 -4.940 1.00 0.00 H new ATOM 0 HA THR A 37 17.765 -4.752 -7.002 1.00 0.00 H new ATOM 0 HB THR A 37 15.767 -7.049 -6.932 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.560 -8.229 -7.870 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.084 -7.104 -9.377 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.410 -5.548 -8.836 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.132 -5.669 -9.269 1.00 0.00 H new ATOM 505 N TYR A 38 14.645 -4.795 -5.877 1.00 0.00 N ATOM 506 CA TYR A 38 13.408 -4.024 -5.818 1.00 0.00 C ATOM 507 C TYR A 38 12.577 -4.421 -4.602 1.00 0.00 C ATOM 508 O TYR A 38 12.828 -5.449 -3.972 1.00 0.00 O ATOM 509 CB TYR A 38 12.593 -4.228 -7.096 1.00 0.00 C ATOM 510 CG TYR A 38 11.966 -5.600 -7.202 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.688 -6.679 -7.697 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.652 -5.816 -6.806 1.00 0.00 C ATOM 513 CE1 TYR A 38 12.118 -7.933 -7.796 1.00 0.00 C ATOM 514 CE2 TYR A 38 10.075 -7.068 -6.900 1.00 0.00 C ATOM 515 CZ TYR A 38 10.812 -8.123 -7.397 1.00 0.00 C ATOM 516 OH TYR A 38 10.242 -9.372 -7.493 1.00 0.00 O ATOM 0 H TYR A 38 14.626 -5.665 -5.344 1.00 0.00 H new ATOM 0 HA TYR A 38 13.671 -2.970 -5.728 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.807 -3.474 -7.140 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.239 -4.065 -7.959 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.712 -6.535 -8.009 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.072 -4.992 -6.418 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.693 -8.761 -8.184 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.053 -7.220 -6.586 1.00 0.00 H new ATOM 0 HH TYR A 38 9.318 -9.335 -7.170 1.00 0.00 H new ATOM 526 N TYR A 39 11.584 -3.600 -4.278 1.00 0.00 N ATOM 527 CA TYR A 39 10.715 -3.863 -3.138 1.00 0.00 C ATOM 528 C TYR A 39 9.263 -4.012 -3.582 1.00 0.00 C ATOM 529 O TYR A 39 8.653 -3.064 -4.075 1.00 0.00 O ATOM 530 CB TYR A 39 10.833 -2.737 -2.109 1.00 0.00 C ATOM 531 CG TYR A 39 12.178 -2.685 -1.420 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.291 -2.160 -2.066 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.337 -3.161 -0.125 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.522 -2.110 -1.441 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.563 -3.114 0.508 1.00 0.00 C ATOM 536 CZ TYR A 39 14.653 -2.588 -0.154 1.00 0.00 C ATOM 537 OH TYR A 39 15.877 -2.541 0.473 1.00 0.00 O ATOM 0 H TYR A 39 11.361 -2.746 -4.790 1.00 0.00 H new ATOM 0 HA TYR A 39 11.033 -4.799 -2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.651 -1.783 -2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.053 -2.860 -1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.192 -1.785 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.487 -3.575 0.396 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.377 -1.699 -1.957 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.668 -3.487 1.516 1.00 0.00 H new ATOM 0 HH TYR A 39 16.105 -1.610 0.676 1.00 0.00 H new ATOM 547 N GLY A 40 8.715 -5.210 -3.401 1.00 0.00 N ATOM 548 CA GLY A 40 7.339 -5.462 -3.787 1.00 0.00 C ATOM 549 C GLY A 40 6.344 -4.842 -2.826 1.00 0.00 C ATOM 550 O GLY A 40 6.724 -4.342 -1.767 1.00 0.00 O ATOM 0 H GLY A 40 9.199 -6.010 -2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.167 -5.066 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.170 -6.538 -3.836 1.00 0.00 H new ATOM 554 N ILE A 41 5.069 -4.874 -3.195 1.00 0.00 N ATOM 555 CA ILE A 41 4.017 -4.311 -2.358 1.00 0.00 C ATOM 556 C ILE A 41 2.686 -5.014 -2.599 1.00 0.00 C ATOM 557 O ILE A 41 2.279 -5.218 -3.743 1.00 0.00 O ATOM 558 CB ILE A 41 3.842 -2.802 -2.613 1.00 0.00 C ATOM 559 CG1 ILE A 41 5.140 -2.055 -2.300 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.694 -2.254 -1.779 1.00 0.00 C ATOM 561 CD1 ILE A 41 5.109 -0.596 -2.698 1.00 0.00 C ATOM 0 H ILE A 41 4.739 -5.284 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 41 4.322 -4.463 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 41 3.604 -2.652 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.343 -2.127 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.966 -2.546 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.583 -1.187 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.771 -2.769 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.904 -2.413 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.062 -0.130 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.938 -0.515 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.305 -0.090 -2.163 1.00 0.00 H new ATOM 573 N GLN A 42 2.011 -5.381 -1.515 1.00 0.00 N ATOM 574 CA GLN A 42 0.725 -6.061 -1.609 1.00 0.00 C ATOM 575 C GLN A 42 -0.358 -5.282 -0.869 1.00 0.00 C ATOM 576 O GLN A 42 -0.125 -4.758 0.220 1.00 0.00 O ATOM 577 CB GLN A 42 0.829 -7.477 -1.041 1.00 0.00 C ATOM 578 CG GLN A 42 1.707 -8.402 -1.870 1.00 0.00 C ATOM 579 CD GLN A 42 3.147 -8.418 -1.396 1.00 0.00 C ATOM 580 OE1 GLN A 42 3.864 -7.424 -1.517 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.579 -9.551 -0.854 1.00 0.00 N ATOM 0 H GLN A 42 2.333 -5.219 -0.561 1.00 0.00 H new ATOM 0 HA GLN A 42 0.450 -6.119 -2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.226 -7.425 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.171 -7.906 -0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.303 -9.414 -1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.675 -8.089 -2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.950 -10.350 -0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.539 -9.622 -0.518 1.00 0.00 H new ATOM 590 N TYR A 43 -1.542 -5.211 -1.468 1.00 0.00 N ATOM 591 CA TYR A 43 -2.660 -4.494 -0.867 1.00 0.00 C ATOM 592 C TYR A 43 -3.992 -5.081 -1.322 1.00 0.00 C ATOM 593 O TYR A 43 -4.133 -5.516 -2.465 1.00 0.00 O ATOM 594 CB TYR A 43 -2.595 -3.009 -1.229 1.00 0.00 C ATOM 595 CG TYR A 43 -2.672 -2.744 -2.715 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.538 -2.825 -3.515 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.878 -2.412 -3.320 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.604 -2.583 -4.874 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.953 -2.171 -4.678 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.814 -2.257 -5.451 1.00 0.00 C ATOM 601 OH TYR A 43 -2.884 -2.015 -6.803 1.00 0.00 O ATOM 0 H TYR A 43 -1.752 -5.641 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.587 -4.601 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.413 -2.487 -0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.667 -2.589 -0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.589 -3.081 -3.067 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.772 -2.341 -2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.713 -2.649 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.899 -1.916 -5.132 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.808 -1.800 -7.049 1.00 0.00 H new ATOM 611 N ARG A 44 -4.967 -5.091 -0.419 1.00 0.00 N ATOM 612 CA ARG A 44 -6.288 -5.625 -0.726 1.00 0.00 C ATOM 613 C ARG A 44 -7.329 -5.103 0.260 1.00 0.00 C ATOM 614 O ARG A 44 -7.003 -4.754 1.395 1.00 0.00 O ATOM 615 CB ARG A 44 -6.263 -7.154 -0.695 1.00 0.00 C ATOM 616 CG ARG A 44 -7.634 -7.782 -0.505 1.00 0.00 C ATOM 617 CD ARG A 44 -7.579 -9.295 -0.652 1.00 0.00 C ATOM 618 NE ARG A 44 -8.855 -9.848 -1.098 1.00 0.00 N ATOM 619 CZ ARG A 44 -9.382 -9.608 -2.293 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.747 -8.828 -3.157 1.00 0.00 N ATOM 621 NH2 ARG A 44 -10.548 -10.148 -2.626 1.00 0.00 N ATOM 0 H ARG A 44 -4.867 -4.735 0.532 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.562 -5.293 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.831 -7.521 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.608 -7.482 0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.020 -7.525 0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.329 -7.369 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.799 -9.562 -1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.304 -9.742 0.303 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.369 -10.452 -0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.851 -8.411 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.154 -8.645 -4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.040 -10.748 -1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.952 -9.963 -3.544 1.00 0.00 H new ATOM 635 N ALA A 45 -8.581 -5.050 -0.181 1.00 0.00 N ATOM 636 CA ALA A 45 -9.669 -4.572 0.662 1.00 0.00 C ATOM 637 C ALA A 45 -9.580 -5.168 2.063 1.00 0.00 C ATOM 638 O ALA A 45 -9.639 -6.385 2.235 1.00 0.00 O ATOM 639 CB ALA A 45 -11.013 -4.905 0.030 1.00 0.00 C ATOM 0 H ALA A 45 -8.867 -5.333 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.579 -3.489 0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.816 -4.542 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.084 -4.427 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.102 -5.985 -0.087 1.00 0.00 H new ATOM 645 N ALA A 46 -9.438 -4.302 3.061 1.00 0.00 N ATOM 646 CA ALA A 46 -9.342 -4.743 4.447 1.00 0.00 C ATOM 647 C ALA A 46 -10.503 -5.660 4.813 1.00 0.00 C ATOM 648 O ALA A 46 -11.668 -5.288 4.677 1.00 0.00 O ATOM 649 CB ALA A 46 -9.301 -3.542 5.381 1.00 0.00 C ATOM 0 H ALA A 46 -9.387 -3.291 2.935 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.417 -5.309 4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.229 -3.886 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.434 -2.925 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.210 -2.953 5.257 1.00 0.00 H new ATOM 655 N GLY A 47 -10.178 -6.863 5.278 1.00 0.00 N ATOM 656 CA GLY A 47 -11.206 -7.815 5.656 1.00 0.00 C ATOM 657 C GLY A 47 -11.027 -9.160 4.979 1.00 0.00 C ATOM 658 O GLY A 47 -10.349 -10.043 5.506 1.00 0.00 O ATOM 0 H GLY A 47 -9.221 -7.195 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.191 -7.951 6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.185 -7.410 5.399 1.00 0.00 H new ATOM 662 N THR A 48 -11.637 -9.318 3.809 1.00 0.00 N ATOM 663 CA THR A 48 -11.544 -10.566 3.061 1.00 0.00 C ATOM 664 C THR A 48 -10.128 -11.129 3.105 1.00 0.00 C ATOM 665 O THR A 48 -9.152 -10.383 3.032 1.00 0.00 O ATOM 666 CB THR A 48 -11.963 -10.372 1.591 1.00 0.00 C ATOM 667 OG1 THR A 48 -13.220 -9.690 1.526 1.00 0.00 O ATOM 668 CG2 THR A 48 -12.069 -11.712 0.878 1.00 0.00 C ATOM 0 H THR A 48 -12.201 -8.597 3.358 1.00 0.00 H new ATOM 0 HA THR A 48 -12.227 -11.271 3.535 1.00 0.00 H new ATOM 0 HB THR A 48 -11.200 -9.773 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.478 -9.569 0.588 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.366 -11.550 -0.158 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.103 -12.215 0.904 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.814 -12.332 1.377 1.00 0.00 H new ATOM 676 N GLU A 49 -10.025 -12.449 3.223 1.00 0.00 N ATOM 677 CA GLU A 49 -8.727 -13.111 3.276 1.00 0.00 C ATOM 678 C GLU A 49 -8.364 -13.707 1.920 1.00 0.00 C ATOM 679 O GLU A 49 -7.839 -14.817 1.837 1.00 0.00 O ATOM 680 CB GLU A 49 -8.732 -14.208 4.343 1.00 0.00 C ATOM 681 CG GLU A 49 -7.345 -14.591 4.830 1.00 0.00 C ATOM 682 CD GLU A 49 -7.368 -15.755 5.802 1.00 0.00 C ATOM 683 OE1 GLU A 49 -8.141 -15.694 6.781 1.00 0.00 O ATOM 684 OE2 GLU A 49 -6.613 -16.726 5.584 1.00 0.00 O ATOM 0 H GLU A 49 -10.824 -13.080 3.284 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.978 -12.364 3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.327 -13.873 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.223 -15.093 3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.722 -14.850 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.883 -13.730 5.312 1.00 0.00 H new ATOM 691 N GLY A 50 -8.648 -12.961 0.856 1.00 0.00 N ATOM 692 CA GLY A 50 -8.346 -13.431 -0.483 1.00 0.00 C ATOM 693 C GLY A 50 -6.937 -13.080 -0.917 1.00 0.00 C ATOM 694 O GLY A 50 -6.105 -12.657 -0.114 1.00 0.00 O ATOM 0 H GLY A 50 -9.082 -12.039 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.476 -14.512 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.058 -12.998 -1.186 1.00 0.00 H new ATOM 698 N PRO A 51 -6.653 -13.256 -2.216 1.00 0.00 N ATOM 699 CA PRO A 51 -5.334 -12.962 -2.784 1.00 0.00 C ATOM 700 C PRO A 51 -5.040 -11.466 -2.822 1.00 0.00 C ATOM 701 O PRO A 51 -5.689 -10.714 -3.550 1.00 0.00 O ATOM 702 CB PRO A 51 -5.426 -13.525 -4.204 1.00 0.00 C ATOM 703 CG PRO A 51 -6.880 -13.503 -4.527 1.00 0.00 C ATOM 704 CD PRO A 51 -7.596 -13.757 -3.229 1.00 0.00 C ATOM 0 HA PRO A 51 -4.529 -13.395 -2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.855 -12.919 -4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.024 -14.537 -4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.171 -12.542 -4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.127 -14.266 -5.265 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.549 -13.230 -3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.811 -14.816 -3.089 1.00 0.00 H new ATOM 712 N PHE A 52 -4.058 -11.040 -2.034 1.00 0.00 N ATOM 713 CA PHE A 52 -3.679 -9.633 -1.978 1.00 0.00 C ATOM 714 C PHE A 52 -2.926 -9.222 -3.240 1.00 0.00 C ATOM 715 O PHE A 52 -2.141 -9.996 -3.786 1.00 0.00 O ATOM 716 CB PHE A 52 -2.814 -9.365 -0.745 1.00 0.00 C ATOM 717 CG PHE A 52 -3.578 -9.420 0.547 1.00 0.00 C ATOM 718 CD1 PHE A 52 -4.160 -10.602 0.974 1.00 0.00 C ATOM 719 CD2 PHE A 52 -3.715 -8.288 1.334 1.00 0.00 C ATOM 720 CE1 PHE A 52 -4.865 -10.655 2.162 1.00 0.00 C ATOM 721 CE2 PHE A 52 -4.419 -8.334 2.523 1.00 0.00 C ATOM 722 CZ PHE A 52 -4.993 -9.520 2.938 1.00 0.00 C ATOM 0 H PHE A 52 -3.511 -11.649 -1.426 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.591 -9.039 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.006 -10.096 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.351 -8.383 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.062 -11.493 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.267 -7.359 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.315 -11.583 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.520 -7.444 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.541 -9.559 3.868 1.00 0.00 H new ATOM 732 N GLN A 53 -3.174 -7.998 -3.697 1.00 0.00 N ATOM 733 CA GLN A 53 -2.521 -7.484 -4.895 1.00 0.00 C ATOM 734 C GLN A 53 -1.012 -7.696 -4.826 1.00 0.00 C ATOM 735 O GLN A 53 -0.482 -8.124 -3.801 1.00 0.00 O ATOM 736 CB GLN A 53 -2.832 -5.997 -5.073 1.00 0.00 C ATOM 737 CG GLN A 53 -4.275 -5.720 -5.461 1.00 0.00 C ATOM 738 CD GLN A 53 -4.533 -5.931 -6.940 1.00 0.00 C ATOM 739 OE1 GLN A 53 -3.710 -5.572 -7.783 1.00 0.00 O ATOM 740 NE2 GLN A 53 -5.680 -6.517 -7.264 1.00 0.00 N ATOM 0 H GLN A 53 -3.822 -7.345 -3.256 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.908 -8.034 -5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.607 -5.474 -4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.173 -5.586 -5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.933 -6.370 -4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.528 -4.694 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.333 -6.798 -6.533 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.908 -6.686 -8.244 1.00 0.00 H new ATOM 749 N GLU A 54 -0.326 -7.392 -5.923 1.00 0.00 N ATOM 750 CA GLU A 54 1.123 -7.551 -5.986 1.00 0.00 C ATOM 751 C GLU A 54 1.733 -6.580 -6.993 1.00 0.00 C ATOM 752 O GLU A 54 1.310 -6.517 -8.147 1.00 0.00 O ATOM 753 CB GLU A 54 1.485 -8.989 -6.364 1.00 0.00 C ATOM 754 CG GLU A 54 2.982 -9.238 -6.445 1.00 0.00 C ATOM 755 CD GLU A 54 3.352 -10.674 -6.131 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.826 -11.219 -5.138 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.168 -11.253 -6.878 1.00 0.00 O ATOM 0 H GLU A 54 -0.749 -7.035 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 54 1.530 -7.329 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.051 -9.669 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.033 -9.228 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.335 -8.986 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.495 -8.574 -5.749 1.00 0.00 H new ATOM 764 N VAL A 55 2.731 -5.823 -6.546 1.00 0.00 N ATOM 765 CA VAL A 55 3.400 -4.855 -7.407 1.00 0.00 C ATOM 766 C VAL A 55 4.914 -5.029 -7.355 1.00 0.00 C ATOM 767 O VAL A 55 5.516 -4.996 -6.281 1.00 0.00 O ATOM 768 CB VAL A 55 3.046 -3.410 -7.008 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.763 -2.417 -7.910 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.541 -3.198 -7.058 1.00 0.00 C ATOM 0 H VAL A 55 3.093 -5.862 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 55 3.050 -5.039 -8.423 1.00 0.00 H new ATOM 0 HB VAL A 55 3.380 -3.241 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.501 -1.401 -7.614 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.840 -2.555 -7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.462 -2.582 -8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.308 -2.172 -6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.181 -3.384 -8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.054 -3.886 -6.367 1.00 0.00 H new ATOM 780 N ASP A 56 5.524 -5.212 -8.521 1.00 0.00 N ATOM 781 CA ASP A 56 6.968 -5.389 -8.609 1.00 0.00 C ATOM 782 C ASP A 56 7.592 -4.325 -9.506 1.00 0.00 C ATOM 783 O ASP A 56 7.029 -3.960 -10.537 1.00 0.00 O ATOM 784 CB ASP A 56 7.301 -6.783 -9.143 1.00 0.00 C ATOM 785 CG ASP A 56 6.786 -7.002 -10.552 1.00 0.00 C ATOM 786 OD1 ASP A 56 7.474 -6.583 -11.506 1.00 0.00 O ATOM 787 OD2 ASP A 56 5.695 -7.592 -10.700 1.00 0.00 O ATOM 0 H ASP A 56 5.040 -5.242 -9.418 1.00 0.00 H new ATOM 0 HA ASP A 56 7.384 -5.283 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.381 -6.926 -9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.871 -7.535 -8.481 1.00 0.00 H new ATOM 792 N GLY A 57 8.759 -3.830 -9.105 1.00 0.00 N ATOM 793 CA GLY A 57 9.440 -2.812 -9.884 1.00 0.00 C ATOM 794 C GLY A 57 9.545 -1.492 -9.146 1.00 0.00 C ATOM 795 O GLY A 57 9.410 -0.425 -9.745 1.00 0.00 O ATOM 0 H GLY A 57 9.245 -4.116 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.440 -3.163 -10.140 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.906 -2.659 -10.822 1.00 0.00 H new ATOM 799 N VAL A 58 9.787 -1.563 -7.841 1.00 0.00 N ATOM 800 CA VAL A 58 9.909 -0.365 -7.019 1.00 0.00 C ATOM 801 C VAL A 58 11.325 -0.215 -6.474 1.00 0.00 C ATOM 802 O VAL A 58 11.629 -0.673 -5.374 1.00 0.00 O ATOM 803 CB VAL A 58 8.917 -0.387 -5.841 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.870 0.970 -5.156 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.533 -0.801 -6.319 1.00 0.00 C ATOM 0 H VAL A 58 9.903 -2.438 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 58 9.678 0.484 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 58 9.260 -1.122 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.164 0.935 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.861 1.221 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.551 1.728 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.844 -0.811 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.179 -0.092 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.583 -1.797 -6.759 1.00 0.00 H new ATOM 815 N ALA A 59 12.188 0.431 -7.253 1.00 0.00 N ATOM 816 CA ALA A 59 13.571 0.644 -6.847 1.00 0.00 C ATOM 817 C ALA A 59 13.702 1.885 -5.970 1.00 0.00 C ATOM 818 O ALA A 59 14.705 2.596 -6.028 1.00 0.00 O ATOM 819 CB ALA A 59 14.468 0.764 -8.071 1.00 0.00 C ATOM 0 H ALA A 59 11.953 0.815 -8.168 1.00 0.00 H new ATOM 0 HA ALA A 59 13.888 -0.218 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.498 0.923 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.407 -0.152 -8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.142 1.607 -8.680 1.00 0.00 H new ATOM 825 N THR A 60 12.680 2.140 -5.159 1.00 0.00 N ATOM 826 CA THR A 60 12.680 3.296 -4.271 1.00 0.00 C ATOM 827 C THR A 60 12.082 2.947 -2.913 1.00 0.00 C ATOM 828 O THR A 60 11.346 1.969 -2.780 1.00 0.00 O ATOM 829 CB THR A 60 11.891 4.471 -4.879 1.00 0.00 C ATOM 830 OG1 THR A 60 10.684 3.991 -5.482 1.00 0.00 O ATOM 831 CG2 THR A 60 12.726 5.203 -5.919 1.00 0.00 C ATOM 0 H THR A 60 11.842 1.562 -5.099 1.00 0.00 H new ATOM 0 HA THR A 60 13.720 3.594 -4.141 1.00 0.00 H new ATOM 0 HB THR A 60 11.645 5.167 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.912 4.333 -4.985 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.148 6.028 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.630 5.592 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.999 4.513 -6.718 1.00 0.00 H new ATOM 839 N THR A 61 12.403 3.752 -1.905 1.00 0.00 N ATOM 840 CA THR A 61 11.898 3.528 -0.557 1.00 0.00 C ATOM 841 C THR A 61 10.574 4.252 -0.338 1.00 0.00 C ATOM 842 O THR A 61 10.117 4.400 0.796 1.00 0.00 O ATOM 843 CB THR A 61 12.909 3.996 0.507 1.00 0.00 C ATOM 844 OG1 THR A 61 13.227 5.377 0.305 1.00 0.00 O ATOM 845 CG2 THR A 61 14.180 3.163 0.449 1.00 0.00 C ATOM 0 H THR A 61 13.011 4.566 -1.997 1.00 0.00 H new ATOM 0 HA THR A 61 11.743 2.454 -0.452 1.00 0.00 H new ATOM 0 HB THR A 61 12.455 3.868 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.869 5.668 0.986 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.879 3.512 1.209 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.938 2.116 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.636 3.263 -0.536 1.00 0.00 H new ATOM 853 N ARG A 62 9.963 4.700 -1.429 1.00 0.00 N ATOM 854 CA ARG A 62 8.691 5.409 -1.355 1.00 0.00 C ATOM 855 C ARG A 62 7.849 5.148 -2.601 1.00 0.00 C ATOM 856 O ARG A 62 8.305 5.355 -3.725 1.00 0.00 O ATOM 857 CB ARG A 62 8.929 6.912 -1.194 1.00 0.00 C ATOM 858 CG ARG A 62 7.745 7.657 -0.600 1.00 0.00 C ATOM 859 CD ARG A 62 8.185 8.926 0.111 1.00 0.00 C ATOM 860 NE ARG A 62 8.337 10.047 -0.812 1.00 0.00 N ATOM 861 CZ ARG A 62 7.330 10.579 -1.495 1.00 0.00 C ATOM 862 NH1 ARG A 62 6.103 10.095 -1.358 1.00 0.00 N ATOM 863 NH2 ARG A 62 7.548 11.598 -2.317 1.00 0.00 N ATOM 0 H ARG A 62 10.328 4.585 -2.375 1.00 0.00 H new ATOM 0 HA ARG A 62 8.148 5.038 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.801 7.067 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.165 7.340 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.038 7.908 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.221 7.009 0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.454 9.184 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.131 8.746 0.621 1.00 0.00 H new ATOM 0 HE ARG A 62 9.268 10.443 -0.939 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.931 9.312 -0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.331 10.505 -1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.490 11.974 -2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.773 12.005 -2.841 1.00 0.00 H new ATOM 877 N TYR A 63 6.620 4.690 -2.392 1.00 0.00 N ATOM 878 CA TYR A 63 5.716 4.397 -3.497 1.00 0.00 C ATOM 879 C TYR A 63 4.264 4.634 -3.091 1.00 0.00 C ATOM 880 O TYR A 63 3.901 4.478 -1.926 1.00 0.00 O ATOM 881 CB TYR A 63 5.897 2.951 -3.963 1.00 0.00 C ATOM 882 CG TYR A 63 4.926 2.537 -5.045 1.00 0.00 C ATOM 883 CD1 TYR A 63 5.211 2.766 -6.386 1.00 0.00 C ATOM 884 CD2 TYR A 63 3.724 1.917 -4.727 1.00 0.00 C ATOM 885 CE1 TYR A 63 4.326 2.390 -7.378 1.00 0.00 C ATOM 886 CE2 TYR A 63 2.834 1.537 -5.713 1.00 0.00 C ATOM 887 CZ TYR A 63 3.139 1.775 -7.037 1.00 0.00 C ATOM 888 OH TYR A 63 2.255 1.398 -8.021 1.00 0.00 O ATOM 0 H TYR A 63 6.227 4.514 -1.467 1.00 0.00 H new ATOM 0 HA TYR A 63 5.959 5.070 -4.319 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.915 2.822 -4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.780 2.285 -3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.140 3.246 -6.657 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.481 1.729 -3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.562 2.577 -8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.904 1.056 -5.448 1.00 0.00 H new ATOM 0 HH TYR A 63 1.470 0.978 -7.612 1.00 0.00 H new ATOM 898 N SER A 64 3.439 5.010 -4.063 1.00 0.00 N ATOM 899 CA SER A 64 2.027 5.272 -3.808 1.00 0.00 C ATOM 900 C SER A 64 1.147 4.257 -4.531 1.00 0.00 C ATOM 901 O SER A 64 1.463 3.824 -5.640 1.00 0.00 O ATOM 902 CB SER A 64 1.661 6.690 -4.252 1.00 0.00 C ATOM 903 OG SER A 64 1.818 6.842 -5.652 1.00 0.00 O ATOM 0 H SER A 64 3.724 5.140 -5.034 1.00 0.00 H new ATOM 0 HA SER A 64 1.853 5.179 -2.736 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.630 6.907 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.291 7.411 -3.732 1.00 0.00 H new ATOM 0 HG SER A 64 1.576 7.756 -5.911 1.00 0.00 H new ATOM 909 N ILE A 65 0.042 3.882 -3.895 1.00 0.00 N ATOM 910 CA ILE A 65 -0.884 2.919 -4.477 1.00 0.00 C ATOM 911 C ILE A 65 -2.158 3.605 -4.961 1.00 0.00 C ATOM 912 O ILE A 65 -2.651 4.538 -4.329 1.00 0.00 O ATOM 913 CB ILE A 65 -1.259 1.817 -3.469 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.009 1.056 -3.024 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.277 0.865 -4.078 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.662 1.653 -1.807 1.00 0.00 C ATOM 0 H ILE A 65 -0.233 4.231 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.374 2.464 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.708 2.285 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.280 0.023 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.705 1.033 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.532 0.092 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.176 1.418 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.854 0.401 -4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.541 1.062 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.965 2.677 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.035 1.651 -0.969 1.00 0.00 H new ATOM 928 N GLY A 66 -2.687 3.133 -6.086 1.00 0.00 N ATOM 929 CA GLY A 66 -3.899 3.711 -6.635 1.00 0.00 C ATOM 930 C GLY A 66 -4.908 2.658 -7.049 1.00 0.00 C ATOM 931 O GLY A 66 -4.596 1.468 -7.079 1.00 0.00 O ATOM 0 H GLY A 66 -2.298 2.361 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.351 4.371 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.646 4.326 -7.498 1.00 0.00 H new ATOM 935 N GLY A 67 -6.122 3.096 -7.369 1.00 0.00 N ATOM 936 CA GLY A 67 -7.161 2.169 -7.778 1.00 0.00 C ATOM 937 C GLY A 67 -7.978 1.661 -6.607 1.00 0.00 C ATOM 938 O GLY A 67 -8.513 0.552 -6.647 1.00 0.00 O ATOM 0 H GLY A 67 -6.404 4.076 -7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.822 2.661 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.707 1.323 -8.294 1.00 0.00 H new ATOM 942 N LEU A 68 -8.075 2.472 -5.559 1.00 0.00 N ATOM 943 CA LEU A 68 -8.832 2.098 -4.369 1.00 0.00 C ATOM 944 C LEU A 68 -10.148 2.864 -4.298 1.00 0.00 C ATOM 945 O LEU A 68 -10.341 3.854 -5.004 1.00 0.00 O ATOM 946 CB LEU A 68 -8.005 2.365 -3.110 1.00 0.00 C ATOM 947 CG LEU A 68 -6.621 1.716 -3.066 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.799 2.288 -1.922 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.743 0.205 -2.934 1.00 0.00 C ATOM 0 H LEU A 68 -7.639 3.393 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.056 1.033 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.883 3.443 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.574 2.020 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.108 1.938 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.818 1.814 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.681 3.363 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.308 2.098 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.748 -0.239 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.276 -0.038 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.292 -0.192 -3.788 1.00 0.00 H new ATOM 961 N SER A 69 -11.051 2.401 -3.440 1.00 0.00 N ATOM 962 CA SER A 69 -12.351 3.042 -3.277 1.00 0.00 C ATOM 963 C SER A 69 -12.304 4.092 -2.172 1.00 0.00 C ATOM 964 O SER A 69 -11.588 3.955 -1.180 1.00 0.00 O ATOM 965 CB SER A 69 -13.422 1.997 -2.959 1.00 0.00 C ATOM 966 OG SER A 69 -13.809 1.292 -4.125 1.00 0.00 O ATOM 0 H SER A 69 -10.907 1.584 -2.847 1.00 0.00 H new ATOM 0 HA SER A 69 -12.604 3.538 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.041 1.296 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.292 2.485 -2.520 1.00 0.00 H new ATOM 0 HG SER A 69 -14.493 0.629 -3.895 1.00 0.00 H new ATOM 972 N PRO A 70 -13.087 5.168 -2.346 1.00 0.00 N ATOM 973 CA PRO A 70 -13.154 6.263 -1.373 1.00 0.00 C ATOM 974 C PRO A 70 -13.845 5.848 -0.079 1.00 0.00 C ATOM 975 O PRO A 70 -14.845 5.130 -0.100 1.00 0.00 O ATOM 976 CB PRO A 70 -13.975 7.332 -2.099 1.00 0.00 C ATOM 977 CG PRO A 70 -14.802 6.573 -3.079 1.00 0.00 C ATOM 978 CD PRO A 70 -13.966 5.398 -3.504 1.00 0.00 C ATOM 0 HA PRO A 70 -12.163 6.600 -1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.600 7.892 -1.403 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.330 8.054 -2.600 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.738 6.243 -2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.063 7.196 -3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.581 4.525 -3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.394 5.617 -4.406 1.00 0.00 H new ATOM 986 N PHE A 71 -13.306 6.305 1.047 1.00 0.00 N ATOM 987 CA PHE A 71 -13.870 5.980 2.351 1.00 0.00 C ATOM 988 C PHE A 71 -13.767 4.484 2.631 1.00 0.00 C ATOM 989 O PHE A 71 -14.574 3.923 3.373 1.00 0.00 O ATOM 990 CB PHE A 71 -15.333 6.424 2.422 1.00 0.00 C ATOM 991 CG PHE A 71 -15.812 6.688 3.821 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.074 7.485 4.681 1.00 0.00 C ATOM 993 CD2 PHE A 71 -17.000 6.140 4.276 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.512 7.729 5.969 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.444 6.381 5.562 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.699 7.178 6.410 1.00 0.00 C ATOM 0 H PHE A 71 -12.479 6.901 1.082 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.298 6.514 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.459 7.328 1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.960 5.655 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.146 7.921 4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.586 5.517 3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.926 8.350 6.630 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.372 5.947 5.904 1.00 0.00 H new ATOM 0 HZ PHE A 71 -17.044 7.370 7.415 1.00 0.00 H new ATOM 1006 N SER A 72 -12.769 3.843 2.031 1.00 0.00 N ATOM 1007 CA SER A 72 -12.562 2.410 2.212 1.00 0.00 C ATOM 1008 C SER A 72 -11.299 2.142 3.024 1.00 0.00 C ATOM 1009 O SER A 72 -10.489 3.042 3.246 1.00 0.00 O ATOM 1010 CB SER A 72 -12.468 1.712 0.854 1.00 0.00 C ATOM 1011 OG SER A 72 -11.231 1.994 0.221 1.00 0.00 O ATOM 0 H SER A 72 -12.091 4.293 1.416 1.00 0.00 H new ATOM 0 HA SER A 72 -13.416 2.010 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.575 0.635 0.987 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.289 2.038 0.216 1.00 0.00 H new ATOM 0 HG SER A 72 -11.397 2.409 -0.651 1.00 0.00 H new ATOM 1017 N GLU A 73 -11.139 0.898 3.464 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.975 0.511 4.253 1.00 0.00 C ATOM 1019 C GLU A 73 -9.144 -0.537 3.518 1.00 0.00 C ATOM 1020 O GLU A 73 -9.675 -1.535 3.031 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.411 -0.031 5.615 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.289 -0.082 6.638 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.174 1.198 7.443 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.154 1.557 8.129 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -8.105 1.840 7.387 1.00 0.00 O ATOM 0 H GLU A 73 -11.800 0.141 3.288 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.359 1.398 4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.217 0.592 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.818 -1.034 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.458 -0.919 7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.345 -0.271 6.127 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.839 -0.302 3.442 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.935 -1.224 2.765 1.00 0.00 C ATOM 1034 C TYR A 74 -5.677 -1.462 3.595 1.00 0.00 C ATOM 1035 O TYR A 74 -5.275 -0.613 4.390 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.555 -0.678 1.387 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.570 -0.989 0.311 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -7.502 -2.170 -0.416 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -8.599 -0.101 0.023 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -8.428 -2.458 -1.400 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -9.530 -0.380 -0.959 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.440 -1.560 -1.668 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.365 -1.843 -2.647 1.00 0.00 O ATOM 0 H TYR A 74 -7.384 0.519 3.841 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.452 -2.176 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.430 0.403 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.590 -1.092 1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.711 -2.876 -0.209 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.672 0.824 0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.360 -3.381 -1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.323 0.322 -1.170 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.011 -1.109 -2.709 1.00 0.00 H new ATOM 1053 N ALA A 75 -5.060 -2.623 3.403 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.847 -2.973 4.131 1.00 0.00 C ATOM 1055 C ALA A 75 -2.644 -3.035 3.195 1.00 0.00 C ATOM 1056 O ALA A 75 -2.599 -3.857 2.280 1.00 0.00 O ATOM 1057 CB ALA A 75 -4.028 -4.302 4.850 1.00 0.00 C ATOM 0 H ALA A 75 -5.380 -3.337 2.749 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.659 -2.195 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.114 -4.551 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.856 -4.225 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.244 -5.083 4.121 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.672 -2.160 3.431 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.469 -2.115 2.607 1.00 0.00 C ATOM 1065 C PHE A 76 0.680 -2.859 3.282 1.00 0.00 C ATOM 1066 O PHE A 76 0.706 -3.006 4.503 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.064 -0.664 2.339 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.143 0.148 1.682 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.357 0.063 0.316 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.943 0.997 2.430 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.350 0.808 -0.293 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.937 1.745 1.827 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.140 1.651 0.464 1.00 0.00 C ATOM 0 H PHE A 76 -1.693 -1.473 4.185 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.689 -2.605 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.211 -0.192 3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.823 -0.654 1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.741 -0.593 -0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.788 1.075 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.508 0.731 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.554 2.402 2.421 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.915 2.236 -0.009 1.00 0.00 H new ATOM 1083 N ARG A 77 1.627 -3.327 2.476 1.00 0.00 N ATOM 1084 CA ARG A 77 2.778 -4.057 2.993 1.00 0.00 C ATOM 1085 C ARG A 77 3.895 -4.119 1.955 1.00 0.00 C ATOM 1086 O ARG A 77 3.684 -4.563 0.826 1.00 0.00 O ATOM 1087 CB ARG A 77 2.368 -5.474 3.401 1.00 0.00 C ATOM 1088 CG ARG A 77 1.962 -6.352 2.229 1.00 0.00 C ATOM 1089 CD ARG A 77 1.276 -7.625 2.698 1.00 0.00 C ATOM 1090 NE ARG A 77 0.048 -7.344 3.437 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.842 -8.274 3.764 1.00 0.00 C ATOM 1092 NH1 ARG A 77 -0.641 -9.539 3.420 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -1.936 -7.941 4.437 1.00 0.00 N ATOM 0 H ARG A 77 1.620 -3.214 1.462 1.00 0.00 H new ATOM 0 HA ARG A 77 3.149 -3.526 3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.198 -5.946 3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.537 -5.414 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.292 -5.797 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.844 -6.608 1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.045 -8.251 1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.958 -8.193 3.331 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.136 -6.381 3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.199 -9.800 2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.326 -10.251 3.672 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.095 -6.969 4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.618 -8.657 4.687 1.00 0.00 H new ATOM 1107 N VAL A 78 5.083 -3.669 2.345 1.00 0.00 N ATOM 1108 CA VAL A 78 6.234 -3.673 1.449 1.00 0.00 C ATOM 1109 C VAL A 78 7.235 -4.752 1.845 1.00 0.00 C ATOM 1110 O VAL A 78 7.364 -5.094 3.021 1.00 0.00 O ATOM 1111 CB VAL A 78 6.944 -2.307 1.441 1.00 0.00 C ATOM 1112 CG1 VAL A 78 7.995 -2.257 0.343 1.00 0.00 C ATOM 1113 CG2 VAL A 78 5.934 -1.182 1.274 1.00 0.00 C ATOM 0 H VAL A 78 5.274 -3.297 3.275 1.00 0.00 H new ATOM 0 HA VAL A 78 5.855 -3.883 0.449 1.00 0.00 H new ATOM 0 HB VAL A 78 7.447 -2.174 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.486 -1.284 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.735 -3.039 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.518 -2.413 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.454 -0.224 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.401 -1.309 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.223 -1.206 2.100 1.00 0.00 H new ATOM 1123 N LEU A 79 7.943 -5.286 0.856 1.00 0.00 N ATOM 1124 CA LEU A 79 8.935 -6.328 1.100 1.00 0.00 C ATOM 1125 C LEU A 79 10.144 -6.154 0.186 1.00 0.00 C ATOM 1126 O LEU A 79 10.027 -5.630 -0.921 1.00 0.00 O ATOM 1127 CB LEU A 79 8.315 -7.710 0.888 1.00 0.00 C ATOM 1128 CG LEU A 79 7.898 -8.046 -0.544 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.901 -9.551 -0.762 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.525 -7.464 -0.850 1.00 0.00 C ATOM 0 H LEU A 79 7.849 -5.015 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 79 9.269 -6.242 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.030 -8.462 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.438 -7.795 1.530 1.00 0.00 H new ATOM 0 HG LEU A 79 8.621 -7.599 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.602 -9.771 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.903 -9.942 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.201 -10.020 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.244 -7.713 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.791 -7.881 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.555 -6.380 -0.735 1.00 0.00 H new ATOM 1142 N ALA A 80 11.304 -6.599 0.657 1.00 0.00 N ATOM 1143 CA ALA A 80 12.533 -6.497 -0.120 1.00 0.00 C ATOM 1144 C ALA A 80 12.715 -7.713 -1.023 1.00 0.00 C ATOM 1145 O ALA A 80 12.355 -8.831 -0.655 1.00 0.00 O ATOM 1146 CB ALA A 80 13.731 -6.341 0.806 1.00 0.00 C ATOM 0 H ALA A 80 11.418 -7.034 1.573 1.00 0.00 H new ATOM 0 HA ALA A 80 12.460 -5.614 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.642 -6.266 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.613 -5.438 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.797 -7.207 1.464 1.00 0.00 H new ATOM 1152 N VAL A 81 13.275 -7.486 -2.206 1.00 0.00 N ATOM 1153 CA VAL A 81 13.505 -8.563 -3.162 1.00 0.00 C ATOM 1154 C VAL A 81 14.760 -8.306 -3.988 1.00 0.00 C ATOM 1155 O VAL A 81 14.977 -7.198 -4.478 1.00 0.00 O ATOM 1156 CB VAL A 81 12.305 -8.736 -4.112 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.411 -10.049 -4.873 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.998 -8.664 -3.337 1.00 0.00 C ATOM 0 H VAL A 81 13.578 -6.566 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 81 13.636 -9.477 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 81 12.317 -7.922 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.555 -10.154 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.330 -10.057 -5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.425 -10.879 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.161 -8.788 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.974 -9.456 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.921 -7.696 -2.842 1.00 0.00 H new ATOM 1168 N ASN A 82 15.584 -9.338 -4.140 1.00 0.00 N ATOM 1169 CA ASN A 82 16.819 -9.224 -4.908 1.00 0.00 C ATOM 1170 C ASN A 82 17.147 -10.539 -5.608 1.00 0.00 C ATOM 1171 O ASN A 82 16.397 -11.510 -5.511 1.00 0.00 O ATOM 1172 CB ASN A 82 17.976 -8.817 -3.994 1.00 0.00 C ATOM 1173 CG ASN A 82 18.600 -10.005 -3.287 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.487 -10.666 -3.826 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.138 -10.280 -2.073 1.00 0.00 N ATOM 0 H ASN A 82 15.419 -10.262 -3.742 1.00 0.00 H new ATOM 0 HA ASN A 82 16.677 -8.455 -5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.738 -8.307 -4.583 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.616 -8.104 -3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.520 -11.067 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.401 -9.704 -1.665 1.00 0.00 H new ATOM 1182 N SER A 83 18.275 -10.563 -6.312 1.00 0.00 N ATOM 1183 CA SER A 83 18.702 -11.758 -7.031 1.00 0.00 C ATOM 1184 C SER A 83 18.309 -13.020 -6.269 1.00 0.00 C ATOM 1185 O SER A 83 17.798 -13.976 -6.853 1.00 0.00 O ATOM 1186 CB SER A 83 20.215 -11.732 -7.251 1.00 0.00 C ATOM 1187 OG SER A 83 20.593 -10.638 -8.069 1.00 0.00 O ATOM 0 H SER A 83 18.909 -9.769 -6.400 1.00 0.00 H new ATOM 0 HA SER A 83 18.201 -11.768 -7.999 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.724 -11.664 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.534 -12.665 -7.716 1.00 0.00 H new ATOM 0 HG SER A 83 21.565 -10.643 -8.193 1.00 0.00 H new ATOM 1193 N ILE A 84 18.551 -13.014 -4.963 1.00 0.00 N ATOM 1194 CA ILE A 84 18.222 -14.157 -4.120 1.00 0.00 C ATOM 1195 C ILE A 84 16.729 -14.465 -4.169 1.00 0.00 C ATOM 1196 O ILE A 84 16.323 -15.560 -4.556 1.00 0.00 O ATOM 1197 CB ILE A 84 18.637 -13.916 -2.657 1.00 0.00 C ATOM 1198 CG1 ILE A 84 20.123 -13.561 -2.577 1.00 0.00 C ATOM 1199 CG2 ILE A 84 18.335 -15.145 -1.811 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.987 -14.359 -3.528 1.00 0.00 C ATOM 0 H ILE A 84 18.974 -12.230 -4.465 1.00 0.00 H new ATOM 0 HA ILE A 84 18.779 -15.008 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 84 18.061 -13.078 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 84 20.247 -12.499 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.473 -13.724 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.634 -14.959 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.267 -15.358 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.888 -16.000 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 84 22.028 -14.055 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.893 -15.421 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.664 -14.177 -4.553 1.00 0.00 H new ATOM 1212 N GLY A 85 15.916 -13.489 -3.776 1.00 0.00 N ATOM 1213 CA GLY A 85 14.477 -13.674 -3.784 1.00 0.00 C ATOM 1214 C GLY A 85 13.749 -12.598 -3.003 1.00 0.00 C ATOM 1215 O GLY A 85 14.330 -11.566 -2.666 1.00 0.00 O ATOM 0 H GLY A 85 16.229 -12.574 -3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.120 -13.675 -4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.237 -14.650 -3.362 1.00 0.00 H new ATOM 1219 N ARG A 86 12.474 -12.837 -2.717 1.00 0.00 N ATOM 1220 CA ARG A 86 11.665 -11.878 -1.974 1.00 0.00 C ATOM 1221 C ARG A 86 11.571 -12.271 -0.502 1.00 0.00 C ATOM 1222 O ARG A 86 10.985 -13.297 -0.159 1.00 0.00 O ATOM 1223 CB ARG A 86 10.263 -11.784 -2.578 1.00 0.00 C ATOM 1224 CG ARG A 86 9.785 -13.080 -3.212 1.00 0.00 C ATOM 1225 CD ARG A 86 8.278 -13.080 -3.413 1.00 0.00 C ATOM 1226 NE ARG A 86 7.715 -14.425 -3.336 1.00 0.00 N ATOM 1227 CZ ARG A 86 7.712 -15.280 -4.353 1.00 0.00 C ATOM 1228 NH1 ARG A 86 8.241 -14.932 -5.518 1.00 0.00 N ATOM 1229 NH2 ARG A 86 7.181 -16.487 -4.205 1.00 0.00 N ATOM 0 H ARG A 86 11.979 -13.686 -2.988 1.00 0.00 H new ATOM 0 HA ARG A 86 12.148 -10.903 -2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.560 -11.490 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.253 -10.996 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.281 -13.221 -4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.069 -13.922 -2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.812 -12.448 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.042 -12.643 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 86 7.301 -14.725 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.652 -14.006 -5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.237 -15.591 -6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.775 -16.759 -3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.179 -17.143 -4.986 1.00 0.00 H new ATOM 1243 N GLY A 87 12.153 -11.447 0.364 1.00 0.00 N ATOM 1244 CA GLY A 87 12.124 -11.726 1.788 1.00 0.00 C ATOM 1245 C GLY A 87 10.737 -11.575 2.380 1.00 0.00 C ATOM 1246 O GLY A 87 9.749 -11.401 1.666 1.00 0.00 O ATOM 0 H GLY A 87 12.644 -10.591 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.482 -12.740 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.810 -11.052 2.301 1.00 0.00 H new ATOM 1250 N PRO A 88 10.649 -11.644 3.717 1.00 0.00 N ATOM 1251 CA PRO A 88 9.377 -11.517 4.434 1.00 0.00 C ATOM 1252 C PRO A 88 8.815 -10.101 4.372 1.00 0.00 C ATOM 1253 O PRO A 88 9.552 -9.115 4.345 1.00 0.00 O ATOM 1254 CB PRO A 88 9.744 -11.884 5.874 1.00 0.00 C ATOM 1255 CG PRO A 88 11.197 -11.572 5.986 1.00 0.00 C ATOM 1256 CD PRO A 88 11.785 -11.849 4.631 1.00 0.00 C ATOM 0 HA PRO A 88 8.601 -12.149 4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.159 -11.308 6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.548 -12.937 6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.352 -10.532 6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.671 -12.188 6.750 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.609 -11.173 4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 88 12.177 -12.864 4.563 1.00 0.00 H new ATOM 1264 N PRO A 89 7.478 -9.995 4.348 1.00 0.00 N ATOM 1265 CA PRO A 89 6.788 -8.703 4.290 1.00 0.00 C ATOM 1266 C PRO A 89 6.925 -7.913 5.587 1.00 0.00 C ATOM 1267 O PRO A 89 7.049 -8.491 6.667 1.00 0.00 O ATOM 1268 CB PRO A 89 5.326 -9.093 4.054 1.00 0.00 C ATOM 1269 CG PRO A 89 5.206 -10.469 4.611 1.00 0.00 C ATOM 1270 CD PRO A 89 6.538 -11.128 4.377 1.00 0.00 C ATOM 0 HA PRO A 89 7.202 -8.055 3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.647 -8.403 4.554 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.077 -9.072 2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.966 -10.440 5.674 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.406 -11.021 4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.783 -11.833 5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.552 -11.686 3.441 1.00 0.00 H new ATOM 1278 N SER A 90 6.904 -6.589 5.473 1.00 0.00 N ATOM 1279 CA SER A 90 7.030 -5.719 6.637 1.00 0.00 C ATOM 1280 C SER A 90 5.683 -5.545 7.333 1.00 0.00 C ATOM 1281 O SER A 90 4.631 -5.779 6.739 1.00 0.00 O ATOM 1282 CB SER A 90 7.583 -4.354 6.223 1.00 0.00 C ATOM 1283 OG SER A 90 7.684 -3.485 7.337 1.00 0.00 O ATOM 0 H SER A 90 6.801 -6.095 4.587 1.00 0.00 H new ATOM 0 HA SER A 90 7.723 -6.187 7.336 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.564 -4.479 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.934 -3.909 5.469 1.00 0.00 H new ATOM 0 HG SER A 90 8.608 -3.171 7.424 1.00 0.00 H new ATOM 1289 N GLU A 91 5.726 -5.133 8.596 1.00 0.00 N ATOM 1290 CA GLU A 91 4.510 -4.928 9.374 1.00 0.00 C ATOM 1291 C GLU A 91 3.463 -4.175 8.558 1.00 0.00 C ATOM 1292 O GLU A 91 3.460 -2.945 8.517 1.00 0.00 O ATOM 1293 CB GLU A 91 4.823 -4.158 10.658 1.00 0.00 C ATOM 1294 CG GLU A 91 5.619 -2.884 10.426 1.00 0.00 C ATOM 1295 CD GLU A 91 6.372 -2.433 11.662 1.00 0.00 C ATOM 1296 OE1 GLU A 91 7.091 -3.264 12.256 1.00 0.00 O ATOM 1297 OE2 GLU A 91 6.243 -1.248 12.035 1.00 0.00 O ATOM 0 H GLU A 91 6.589 -4.935 9.102 1.00 0.00 H new ATOM 0 HA GLU A 91 4.107 -5.906 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.888 -3.906 11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.380 -4.807 11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.327 -3.045 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.943 -2.091 10.107 1.00 0.00 H new ATOM 1304 N ALA A 92 2.576 -4.923 7.911 1.00 0.00 N ATOM 1305 CA ALA A 92 1.523 -4.327 7.097 1.00 0.00 C ATOM 1306 C ALA A 92 0.838 -3.184 7.838 1.00 0.00 C ATOM 1307 O ALA A 92 0.670 -3.233 9.057 1.00 0.00 O ATOM 1308 CB ALA A 92 0.505 -5.384 6.695 1.00 0.00 C ATOM 0 H ALA A 92 2.565 -5.943 7.934 1.00 0.00 H new ATOM 0 HA ALA A 92 1.981 -3.918 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.275 -4.925 6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.000 -6.166 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.060 -5.819 7.590 1.00 0.00 H new ATOM 1314 N VAL A 93 0.444 -2.155 7.095 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.224 -0.999 7.681 1.00 0.00 C ATOM 1316 C VAL A 93 -1.619 -0.814 7.095 1.00 0.00 C ATOM 1317 O VAL A 93 -1.847 -1.077 5.914 1.00 0.00 O ATOM 1318 CB VAL A 93 0.589 0.291 7.461 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.841 0.287 8.324 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.945 0.450 5.990 1.00 0.00 C ATOM 0 H VAL A 93 0.576 -2.098 6.085 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.305 -1.190 8.751 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.024 1.142 7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.402 1.206 8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.558 0.222 9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.461 -0.570 8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.519 1.366 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.540 -0.404 5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.031 0.502 5.398 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.549 -0.359 7.928 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.923 -0.139 7.492 1.00 0.00 C ATOM 1332 C ARG A 94 -4.228 1.352 7.388 1.00 0.00 C ATOM 1333 O ARG A 94 -4.141 2.084 8.373 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.901 -0.804 8.463 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.110 -2.286 8.197 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.353 -2.808 8.901 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.059 -3.279 10.252 1.00 0.00 N ATOM 1338 CZ ARG A 94 -6.996 -3.571 11.148 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -8.278 -3.441 10.838 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -6.649 -3.994 12.357 1.00 0.00 N ATOM 0 H ARG A 94 -2.376 -0.136 8.908 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.041 -0.586 6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.534 -0.674 9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.862 -0.294 8.404 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.200 -2.455 7.124 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.237 -2.844 8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.102 -2.018 8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.784 -3.622 8.319 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.082 -3.390 10.522 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.548 -3.116 9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.995 -3.666 11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.663 -4.095 12.599 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.368 -4.218 13.045 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.585 1.795 6.187 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.904 3.198 5.954 1.00 0.00 C ATOM 1356 C ALA A 95 -6.208 3.343 5.175 1.00 0.00 C ATOM 1357 O ALA A 95 -6.342 2.820 4.068 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.766 3.882 5.212 1.00 0.00 C ATOM 0 H ALA A 95 -4.661 1.202 5.360 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.034 3.681 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.018 4.929 5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.854 3.819 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.609 3.389 4.253 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.166 4.054 5.761 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.459 4.265 5.122 1.00 0.00 C ATOM 1366 C ARG A 96 -8.453 5.544 4.291 1.00 0.00 C ATOM 1367 O ARG A 96 -8.101 6.617 4.784 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.567 4.334 6.175 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.931 3.915 5.653 1.00 0.00 C ATOM 1370 CD ARG A 96 -12.019 4.144 6.690 1.00 0.00 C ATOM 1371 NE ARG A 96 -13.352 4.155 6.092 1.00 0.00 N ATOM 1372 CZ ARG A 96 -14.475 4.120 6.800 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -14.427 4.073 8.124 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -15.650 4.133 6.184 1.00 0.00 N ATOM 0 H ARG A 96 -7.071 4.493 6.677 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.649 3.422 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.297 3.695 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.631 5.353 6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.164 4.478 4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.907 2.861 5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.968 3.362 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.842 5.092 7.198 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.424 4.192 5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.526 4.064 8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.291 4.046 8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.691 4.170 5.166 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.512 4.106 6.729 1.00 0.00 H new ATOM 1388 N THR A 97 -8.844 5.424 3.026 1.00 0.00 N ATOM 1389 CA THR A 97 -8.881 6.569 2.126 1.00 0.00 C ATOM 1390 C THR A 97 -9.893 7.607 2.598 1.00 0.00 C ATOM 1391 O THR A 97 -10.815 7.292 3.349 1.00 0.00 O ATOM 1392 CB THR A 97 -9.234 6.143 0.688 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.595 5.700 0.629 1.00 0.00 O ATOM 1394 CG2 THR A 97 -8.313 5.030 0.212 1.00 0.00 C ATOM 0 H THR A 97 -9.140 4.545 2.602 1.00 0.00 H new ATOM 0 HA THR A 97 -7.883 7.008 2.133 1.00 0.00 H new ATOM 0 HB THR A 97 -9.104 7.006 0.035 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.703 5.072 -0.115 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.581 4.746 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.281 5.379 0.231 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.416 4.166 0.869 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.714 8.847 2.153 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.619 9.913 2.541 1.00 0.00 C ATOM 1404 C GLY A 98 -11.823 10.013 1.625 1.00 0.00 C ATOM 1405 O GLY A 98 -11.808 9.489 0.512 1.00 0.00 O ATOM 0 H GLY A 98 -8.958 9.132 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.957 9.744 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.082 10.862 2.535 1.00 0.00 H new ATOM 1409 N GLU A 99 -12.869 10.685 2.096 1.00 0.00 N ATOM 1410 CA GLU A 99 -14.087 10.849 1.312 1.00 0.00 C ATOM 1411 C GLU A 99 -13.965 12.036 0.359 1.00 0.00 C ATOM 1412 O GLU A 99 -14.776 12.961 0.399 1.00 0.00 O ATOM 1413 CB GLU A 99 -15.292 11.043 2.234 1.00 0.00 C ATOM 1414 CG GLU A 99 -15.877 9.740 2.753 1.00 0.00 C ATOM 1415 CD GLU A 99 -16.927 9.161 1.824 1.00 0.00 C ATOM 1416 OE1 GLU A 99 -16.620 8.967 0.629 1.00 0.00 O ATOM 1417 OE2 GLU A 99 -18.055 8.902 2.292 1.00 0.00 O ATOM 0 H GLU A 99 -12.897 11.124 3.016 1.00 0.00 H new ATOM 0 HA GLU A 99 -14.233 9.944 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.995 11.661 3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -16.066 11.590 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.075 9.014 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -16.320 9.910 3.734 1.00 0.00 H new ATOM 1424 N GLN A 100 -12.947 12.000 -0.494 1.00 0.00 N ATOM 1425 CA GLN A 100 -12.719 13.072 -1.455 1.00 0.00 C ATOM 1426 C GLN A 100 -13.719 12.996 -2.604 1.00 0.00 C ATOM 1427 O GLN A 100 -14.494 13.926 -2.828 1.00 0.00 O ATOM 1428 CB GLN A 100 -11.291 13.002 -2.001 1.00 0.00 C ATOM 1429 CG GLN A 100 -10.263 13.667 -1.101 1.00 0.00 C ATOM 1430 CD GLN A 100 -10.464 15.166 -0.994 1.00 0.00 C ATOM 1431 OE1 GLN A 100 -11.043 15.791 -1.882 1.00 0.00 O ATOM 1432 NE2 GLN A 100 -9.985 15.752 0.097 1.00 0.00 N ATOM 0 H GLN A 100 -12.267 11.241 -0.539 1.00 0.00 H new ATOM 0 HA GLN A 100 -12.857 14.022 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.016 11.957 -2.143 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.263 13.475 -2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.317 13.225 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.264 13.465 -1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.511 15.196 0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.091 16.759 0.223 1.00 0.00 H new ATOM 1441 N SER A 101 -13.696 11.882 -3.330 1.00 0.00 N ATOM 1442 CA SER A 101 -14.598 11.686 -4.458 1.00 0.00 C ATOM 1443 C SER A 101 -15.327 10.351 -4.346 1.00 0.00 C ATOM 1444 O SER A 101 -14.952 9.492 -3.549 1.00 0.00 O ATOM 1445 CB SER A 101 -13.821 11.747 -5.775 1.00 0.00 C ATOM 1446 OG SER A 101 -13.060 10.569 -5.973 1.00 0.00 O ATOM 0 H SER A 101 -13.062 11.102 -3.156 1.00 0.00 H new ATOM 0 HA SER A 101 -15.338 12.486 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.515 11.879 -6.605 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.160 12.614 -5.771 1.00 0.00 H new ATOM 0 HG SER A 101 -12.574 10.632 -6.822 1.00 0.00 H new ATOM 1452 N GLY A 102 -16.372 10.184 -5.151 1.00 0.00 N ATOM 1453 CA GLY A 102 -17.138 8.952 -5.127 1.00 0.00 C ATOM 1454 C GLY A 102 -18.553 9.159 -4.625 1.00 0.00 C ATOM 1455 O GLY A 102 -19.055 10.281 -4.564 1.00 0.00 O ATOM 0 H GLY A 102 -16.702 10.880 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -17.170 8.528 -6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.633 8.226 -4.490 1.00 0.00 H new ATOM 1459 N PRO A 103 -19.221 8.056 -4.255 1.00 0.00 N ATOM 1460 CA PRO A 103 -20.597 8.096 -3.750 1.00 0.00 C ATOM 1461 C PRO A 103 -20.689 8.734 -2.368 1.00 0.00 C ATOM 1462 O PRO A 103 -19.810 8.546 -1.527 1.00 0.00 O ATOM 1463 CB PRO A 103 -20.993 6.619 -3.685 1.00 0.00 C ATOM 1464 CG PRO A 103 -19.704 5.887 -3.537 1.00 0.00 C ATOM 1465 CD PRO A 103 -18.684 6.686 -4.301 1.00 0.00 C ATOM 0 HA PRO A 103 -21.247 8.698 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -21.658 6.424 -2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -21.522 6.311 -4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -19.424 5.798 -2.487 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.783 4.874 -3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -17.698 6.625 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -18.579 6.329 -5.326 1.00 0.00 H new ATOM 1473 N SER A 104 -21.759 9.489 -2.140 1.00 0.00 N ATOM 1474 CA SER A 104 -21.964 10.157 -0.861 1.00 0.00 C ATOM 1475 C SER A 104 -22.804 9.294 0.075 1.00 0.00 C ATOM 1476 O SER A 104 -22.514 9.187 1.267 1.00 0.00 O ATOM 1477 CB SER A 104 -22.645 11.511 -1.072 1.00 0.00 C ATOM 1478 OG SER A 104 -23.949 11.349 -1.603 1.00 0.00 O ATOM 0 H SER A 104 -22.497 9.653 -2.825 1.00 0.00 H new ATOM 0 HA SER A 104 -20.988 10.316 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 104 -22.699 12.046 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 104 -22.047 12.121 -1.749 1.00 0.00 H new ATOM 0 HG SER A 104 -24.363 12.228 -1.727 1.00 0.00 H new ATOM 1484 N SER A 105 -23.847 8.678 -0.474 1.00 0.00 N ATOM 1485 CA SER A 105 -24.732 7.826 0.311 1.00 0.00 C ATOM 1486 C SER A 105 -24.328 6.360 0.185 1.00 0.00 C ATOM 1487 O SER A 105 -25.178 5.480 0.056 1.00 0.00 O ATOM 1488 CB SER A 105 -26.182 8.009 -0.140 1.00 0.00 C ATOM 1489 OG SER A 105 -26.771 9.138 0.480 1.00 0.00 O ATOM 0 H SER A 105 -24.099 8.753 -1.459 1.00 0.00 H new ATOM 0 HA SER A 105 -24.645 8.119 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 105 -26.217 8.126 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 105 -26.757 7.116 0.103 1.00 0.00 H new ATOM 0 HG SER A 105 -27.697 9.234 0.174 1.00 0.00 H new ATOM 1495 N GLY A 106 -23.024 6.107 0.222 1.00 0.00 N ATOM 1496 CA GLY A 106 -22.529 4.747 0.111 1.00 0.00 C ATOM 1497 C GLY A 106 -23.310 3.773 0.971 1.00 0.00 C ATOM 1498 O GLY A 106 -23.658 2.681 0.523 1.00 0.00 O ATOM 0 H GLY A 106 -22.301 6.819 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -22.580 4.429 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -21.479 4.721 0.401 1.00 0.00 H new TER 1502 GLY A 106