USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 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 9 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.991 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.12) USER MOD Single : A 17 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-3.4!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 177:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.12 K(o=-2.1,f=-5!) USER MOD Single : A 57 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.38) USER MOD Single : A 58 SER OG : rot 21:sc= 0.292 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -5.02! C(o=-5!,f=-6.8!) USER MOD Single : A 72 THR OG1 : rot 92:sc= 1.01 USER MOD Single : A 75 TYR OH : rot -39:sc= 0.0324 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.222 F(o=-0.9,f=-0.22) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 13:sc= 0.682 USER MOD Single : A 83 MET CE :methyl 177:sc= -1.13 (180deg=-1.19) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 THR OG1 : rot 5:sc= 0.83 USER MOD Single : A 94 GLN : amide:sc= -0.0731 K(o=-0.073,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.148 14.992 -23.735 1.00 0.00 N ATOM 2 CA GLY A 1 -11.580 14.931 -22.401 1.00 0.00 C ATOM 3 C GLY A 1 -12.622 14.640 -21.340 1.00 0.00 C ATOM 4 O GLY A 1 -13.566 15.409 -21.159 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.395 15.193 -24.424 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.593 14.081 -23.965 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.863 15.746 -23.774 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.811 14.159 -22.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.090 15.878 -22.174 1.00 0.00 H new ATOM 8 N SER A 2 -12.452 13.524 -20.637 1.00 0.00 N ATOM 9 CA SER A 2 -13.389 13.130 -19.591 1.00 0.00 C ATOM 10 C SER A 2 -12.711 13.133 -18.225 1.00 0.00 C ATOM 11 O SER A 2 -11.854 12.295 -17.943 1.00 0.00 O ATOM 12 CB SER A 2 -13.961 11.742 -19.887 1.00 0.00 C ATOM 13 OG SER A 2 -12.955 10.747 -19.802 1.00 0.00 O ATOM 0 H SER A 2 -11.675 12.877 -20.773 1.00 0.00 H new ATOM 0 HA SER A 2 -14.203 13.855 -19.574 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.760 11.517 -19.181 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.403 11.732 -20.883 1.00 0.00 H new ATOM 0 HG SER A 2 -12.299 11.003 -19.120 1.00 0.00 H new ATOM 19 N SER A 3 -13.102 14.081 -17.379 1.00 0.00 N ATOM 20 CA SER A 3 -12.530 14.197 -16.043 1.00 0.00 C ATOM 21 C SER A 3 -13.352 13.406 -15.030 1.00 0.00 C ATOM 22 O SER A 3 -14.556 13.614 -14.893 1.00 0.00 O ATOM 23 CB SER A 3 -12.457 15.666 -15.622 1.00 0.00 C ATOM 24 OG SER A 3 -11.834 15.803 -14.356 1.00 0.00 O ATOM 0 H SER A 3 -13.813 14.780 -17.595 1.00 0.00 H new ATOM 0 HA SER A 3 -11.522 13.784 -16.069 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.901 16.234 -16.368 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.462 16.087 -15.584 1.00 0.00 H new ATOM 0 HG SER A 3 -11.798 16.751 -14.110 1.00 0.00 H new ATOM 30 N GLY A 4 -12.690 12.496 -14.321 1.00 0.00 N ATOM 31 CA GLY A 4 -13.374 11.686 -13.330 1.00 0.00 C ATOM 32 C GLY A 4 -12.564 11.518 -12.060 1.00 0.00 C ATOM 33 O GLY A 4 -13.052 11.793 -10.963 1.00 0.00 O ATOM 0 H GLY A 4 -11.692 12.306 -14.415 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.332 12.146 -13.088 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.589 10.705 -13.753 1.00 0.00 H new ATOM 37 N SER A 5 -11.323 11.064 -12.206 1.00 0.00 N ATOM 38 CA SER A 5 -10.446 10.854 -11.061 1.00 0.00 C ATOM 39 C SER A 5 -8.997 10.687 -11.510 1.00 0.00 C ATOM 40 O SER A 5 -8.709 10.629 -12.705 1.00 0.00 O ATOM 41 CB SER A 5 -10.891 9.624 -10.269 1.00 0.00 C ATOM 42 OG SER A 5 -10.575 9.760 -8.894 1.00 0.00 O ATOM 0 H SER A 5 -10.903 10.835 -13.107 1.00 0.00 H new ATOM 0 HA SER A 5 -10.511 11.733 -10.419 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.965 9.482 -10.386 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.406 8.734 -10.670 1.00 0.00 H new ATOM 0 HG SER A 5 -10.871 8.961 -8.410 1.00 0.00 H new ATOM 48 N SER A 6 -8.089 10.610 -10.542 1.00 0.00 N ATOM 49 CA SER A 6 -6.670 10.453 -10.836 1.00 0.00 C ATOM 50 C SER A 6 -6.408 9.138 -11.563 1.00 0.00 C ATOM 51 O SER A 6 -7.313 8.326 -11.746 1.00 0.00 O ATOM 52 CB SER A 6 -5.851 10.507 -9.545 1.00 0.00 C ATOM 53 OG SER A 6 -4.549 11.012 -9.787 1.00 0.00 O ATOM 0 H SER A 6 -8.311 10.654 -9.547 1.00 0.00 H new ATOM 0 HA SER A 6 -6.366 11.274 -11.485 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.359 11.137 -8.815 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.783 9.509 -9.112 1.00 0.00 H new ATOM 0 HG SER A 6 -4.047 11.038 -8.946 1.00 0.00 H new ATOM 59 N GLY A 7 -5.160 8.936 -11.977 1.00 0.00 N ATOM 60 CA GLY A 7 -4.800 7.719 -12.680 1.00 0.00 C ATOM 61 C GLY A 7 -4.466 6.581 -11.735 1.00 0.00 C ATOM 62 O GLY A 7 -4.923 5.453 -11.924 1.00 0.00 O ATOM 0 H GLY A 7 -4.393 9.594 -11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.624 7.420 -13.327 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.943 7.915 -13.325 1.00 0.00 H new ATOM 66 N VAL A 8 -3.665 6.875 -10.716 1.00 0.00 N ATOM 67 CA VAL A 8 -3.270 5.868 -9.739 1.00 0.00 C ATOM 68 C VAL A 8 -4.008 6.064 -8.419 1.00 0.00 C ATOM 69 O VAL A 8 -4.231 7.193 -7.981 1.00 0.00 O ATOM 70 CB VAL A 8 -1.752 5.906 -9.477 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.359 4.843 -8.462 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.983 5.725 -10.776 1.00 0.00 C ATOM 0 H VAL A 8 -3.277 7.803 -10.546 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.535 4.898 -10.159 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.496 6.881 -9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.284 4.885 -8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.884 5.024 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.627 3.858 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.087 5.754 -10.572 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.241 4.764 -11.221 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.243 6.527 -11.467 1.00 0.00 H new ATOM 82 N THR A 9 -4.384 4.956 -7.788 1.00 0.00 N ATOM 83 CA THR A 9 -5.097 5.005 -6.518 1.00 0.00 C ATOM 84 C THR A 9 -4.148 5.311 -5.365 1.00 0.00 C ATOM 85 O THR A 9 -3.362 4.457 -4.950 1.00 0.00 O ATOM 86 CB THR A 9 -5.824 3.677 -6.231 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.690 3.347 -7.323 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.634 3.771 -4.946 1.00 0.00 C ATOM 0 H THR A 9 -4.206 4.014 -8.136 1.00 0.00 H new ATOM 0 HA THR A 9 -5.833 5.804 -6.600 1.00 0.00 H new ATOM 0 HB THR A 9 -5.074 2.895 -6.113 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.367 2.706 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.138 2.822 -4.764 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.969 3.994 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.376 4.564 -5.041 1.00 0.00 H new ATOM 96 N THR A 10 -4.225 6.534 -4.850 1.00 0.00 N ATOM 97 CA THR A 10 -3.372 6.952 -3.745 1.00 0.00 C ATOM 98 C THR A 10 -4.105 6.845 -2.413 1.00 0.00 C ATOM 99 O THR A 10 -5.156 7.457 -2.221 1.00 0.00 O ATOM 100 CB THR A 10 -2.880 8.400 -3.932 1.00 0.00 C ATOM 101 OG1 THR A 10 -2.271 8.547 -5.220 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.882 8.777 -2.847 1.00 0.00 C ATOM 0 H THR A 10 -4.869 7.252 -5.181 1.00 0.00 H new ATOM 0 HA THR A 10 -2.513 6.282 -3.738 1.00 0.00 H new ATOM 0 HB THR A 10 -3.740 9.066 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.962 9.470 -5.332 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.549 9.803 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.357 8.692 -1.870 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.024 8.106 -2.893 1.00 0.00 H new ATOM 110 N ALA A 11 -3.544 6.065 -1.495 1.00 0.00 N ATOM 111 CA ALA A 11 -4.144 5.881 -0.179 1.00 0.00 C ATOM 112 C ALA A 11 -3.156 6.229 0.929 1.00 0.00 C ATOM 113 O ALA A 11 -1.982 5.865 0.863 1.00 0.00 O ATOM 114 CB ALA A 11 -4.636 4.450 -0.019 1.00 0.00 C ATOM 0 H ALA A 11 -2.675 5.550 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.994 6.558 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.082 4.327 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.382 4.234 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.797 3.763 -0.127 1.00 0.00 H new ATOM 120 N ILE A 12 -3.639 6.936 1.945 1.00 0.00 N ATOM 121 CA ILE A 12 -2.797 7.333 3.067 1.00 0.00 C ATOM 122 C ILE A 12 -3.262 6.677 4.362 1.00 0.00 C ATOM 123 O ILE A 12 -4.459 6.618 4.645 1.00 0.00 O ATOM 124 CB ILE A 12 -2.791 8.862 3.253 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.312 9.551 1.974 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.910 9.249 4.431 1.00 0.00 C ATOM 127 CD1 ILE A 12 -2.896 10.933 1.776 1.00 0.00 C ATOM 0 H ILE A 12 -4.608 7.246 2.014 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.785 6.999 2.836 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.809 9.192 3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.225 9.625 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.572 8.930 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.916 10.333 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.291 8.783 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.890 8.910 4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.512 11.361 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.982 10.864 1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.614 11.571 2.614 1.00 0.00 H new ATOM 139 N ILE A 13 -2.308 6.185 5.146 1.00 0.00 N ATOM 140 CA ILE A 13 -2.620 5.536 6.413 1.00 0.00 C ATOM 141 C ILE A 13 -2.060 6.328 7.589 1.00 0.00 C ATOM 142 O ILE A 13 -1.005 6.955 7.483 1.00 0.00 O ATOM 143 CB ILE A 13 -2.063 4.101 6.462 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.423 3.346 5.181 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.596 3.367 7.683 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.909 3.121 5.010 1.00 0.00 C ATOM 0 H ILE A 13 -1.313 6.224 4.926 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.707 5.498 6.489 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.977 4.152 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.047 3.903 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.915 2.381 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.193 2.354 7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.293 3.896 8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.684 3.324 7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.091 2.580 4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.288 2.538 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.421 4.083 4.976 1.00 0.00 H new ATOM 158 N HIS A 14 -2.771 6.293 8.712 1.00 0.00 N ATOM 159 CA HIS A 14 -2.343 7.006 9.910 1.00 0.00 C ATOM 160 C HIS A 14 -1.874 6.029 10.984 1.00 0.00 C ATOM 161 O HIS A 14 -2.685 5.430 11.690 1.00 0.00 O ATOM 162 CB HIS A 14 -3.485 7.867 10.452 1.00 0.00 C ATOM 163 CG HIS A 14 -3.730 9.109 9.651 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.716 9.938 9.219 1.00 0.00 N ATOM 165 CD2 HIS A 14 -4.882 9.660 9.202 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.234 10.947 8.541 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.547 10.801 8.516 1.00 0.00 N ATOM 0 H HIS A 14 -3.646 5.779 8.817 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.507 7.652 9.640 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.398 7.273 10.474 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.261 8.147 11.482 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.879 9.274 9.355 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.679 11.753 8.085 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.205 11.434 8.061 1.00 0.00 H new ATOM 175 N ARG A 15 -0.559 5.874 11.101 1.00 0.00 N ATOM 176 CA ARG A 15 0.018 4.969 12.088 1.00 0.00 C ATOM 177 C ARG A 15 0.801 5.743 13.144 1.00 0.00 C ATOM 178 O ARG A 15 1.994 6.007 12.999 1.00 0.00 O ATOM 179 CB ARG A 15 0.934 3.952 11.404 1.00 0.00 C ATOM 180 CG ARG A 15 0.227 3.099 10.363 1.00 0.00 C ATOM 181 CD ARG A 15 1.219 2.327 9.508 1.00 0.00 C ATOM 182 NE ARG A 15 0.590 1.754 8.321 1.00 0.00 N ATOM 183 CZ ARG A 15 1.267 1.346 7.254 1.00 0.00 C ATOM 184 NH1 ARG A 15 2.589 1.446 7.226 1.00 0.00 N ATOM 185 NH2 ARG A 15 0.623 0.835 6.213 1.00 0.00 N ATOM 0 H ARG A 15 0.126 6.363 10.525 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.799 4.441 12.580 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.759 4.482 10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.369 3.300 12.162 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.447 2.401 10.860 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.386 3.735 9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.029 2.990 9.204 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.666 1.530 10.102 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.426 1.662 8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.088 1.837 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.107 1.132 6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.394 0.755 6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.144 0.522 5.394 1.00 0.00 H new ATOM 199 N PRO A 16 0.113 6.118 14.233 1.00 0.00 N ATOM 200 CA PRO A 16 0.723 6.868 15.336 1.00 0.00 C ATOM 201 C PRO A 16 1.714 6.025 16.131 1.00 0.00 C ATOM 202 O PRO A 16 2.731 6.530 16.609 1.00 0.00 O ATOM 203 CB PRO A 16 -0.474 7.252 16.209 1.00 0.00 C ATOM 204 CG PRO A 16 -1.504 6.217 15.916 1.00 0.00 C ATOM 205 CD PRO A 16 -1.313 5.839 14.473 1.00 0.00 C ATOM 0 HA PRO A 16 1.299 7.722 14.979 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.208 7.257 17.266 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.836 8.251 15.967 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.382 5.350 16.566 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.508 6.606 16.088 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.552 4.790 14.297 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.954 6.427 13.815 1.00 0.00 H new ATOM 213 N HIS A 17 1.412 4.738 16.270 1.00 0.00 N ATOM 214 CA HIS A 17 2.278 3.825 17.007 1.00 0.00 C ATOM 215 C HIS A 17 2.798 2.716 16.097 1.00 0.00 C ATOM 216 O HIS A 17 2.131 2.319 15.142 1.00 0.00 O ATOM 217 CB HIS A 17 1.525 3.218 18.191 1.00 0.00 C ATOM 218 CG HIS A 17 2.401 2.917 19.368 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.867 1.651 19.654 1.00 0.00 N ATOM 220 CD2 HIS A 17 2.897 3.726 20.332 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.611 1.694 20.745 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.646 2.942 21.176 1.00 0.00 N ATOM 0 H HIS A 17 0.574 4.304 15.882 1.00 0.00 H new ATOM 0 HA HIS A 17 3.130 4.394 17.381 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.738 3.905 18.501 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.037 2.299 17.868 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.735 4.790 20.422 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.106 0.852 21.206 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.148 3.270 22.001 1.00 0.00 H new ATOM 230 N ALA A 18 3.993 2.220 16.401 1.00 0.00 N ATOM 231 CA ALA A 18 4.602 1.156 15.612 1.00 0.00 C ATOM 232 C ALA A 18 4.192 -0.217 16.133 1.00 0.00 C ATOM 233 O ALA A 18 4.086 -1.176 15.368 1.00 0.00 O ATOM 234 CB ALA A 18 6.117 1.295 15.618 1.00 0.00 C ATOM 0 H ALA A 18 4.559 2.538 17.188 1.00 0.00 H new ATOM 0 HA ALA A 18 4.244 1.248 14.586 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.558 0.494 15.025 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.396 2.258 15.191 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.484 1.232 16.642 1.00 0.00 H new ATOM 240 N ARG A 19 3.964 -0.305 17.439 1.00 0.00 N ATOM 241 CA ARG A 19 3.568 -1.562 18.063 1.00 0.00 C ATOM 242 C ARG A 19 2.062 -1.777 17.945 1.00 0.00 C ATOM 243 O ARG A 19 1.449 -2.421 18.795 1.00 0.00 O ATOM 244 CB ARG A 19 3.982 -1.578 19.535 1.00 0.00 C ATOM 245 CG ARG A 19 5.485 -1.674 19.744 1.00 0.00 C ATOM 246 CD ARG A 19 5.825 -2.067 21.173 1.00 0.00 C ATOM 247 NE ARG A 19 7.223 -2.464 21.314 1.00 0.00 N ATOM 248 CZ ARG A 19 7.688 -3.168 22.339 1.00 0.00 C ATOM 249 NH1 ARG A 19 6.869 -3.552 23.309 1.00 0.00 N ATOM 250 NH2 ARG A 19 8.973 -3.491 22.396 1.00 0.00 N ATOM 0 H ARG A 19 4.047 0.479 18.086 1.00 0.00 H new ATOM 0 HA ARG A 19 4.076 -2.373 17.541 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.614 -0.672 20.017 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.500 -2.421 20.030 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.903 -2.407 19.055 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.948 -0.716 19.509 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.617 -1.229 21.838 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.181 -2.889 21.486 1.00 0.00 H new ATOM 0 HE ARG A 19 7.879 -2.185 20.584 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.880 -3.306 23.268 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.228 -4.093 24.096 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.606 -3.198 21.652 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.328 -4.032 23.184 1.00 0.00 H new ATOM 264 N GLU A 20 1.473 -1.231 16.885 1.00 0.00 N ATOM 265 CA GLU A 20 0.038 -1.362 16.658 1.00 0.00 C ATOM 266 C GLU A 20 -0.240 -2.063 15.331 1.00 0.00 C ATOM 267 O GLU A 20 0.386 -1.761 14.315 1.00 0.00 O ATOM 268 CB GLU A 20 -0.631 0.014 16.671 1.00 0.00 C ATOM 269 CG GLU A 20 -0.858 0.567 18.068 1.00 0.00 C ATOM 270 CD GLU A 20 -2.029 -0.090 18.772 1.00 0.00 C ATOM 271 OE1 GLU A 20 -1.839 -1.182 19.346 1.00 0.00 O ATOM 272 OE2 GLU A 20 -3.136 0.488 18.748 1.00 0.00 O ATOM 0 H GLU A 20 1.966 -0.695 16.171 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.378 -1.967 17.463 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.014 0.714 16.108 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.589 -0.052 16.155 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.045 0.425 18.662 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.033 1.641 18.006 1.00 0.00 H new ATOM 279 N GLN A 21 -1.184 -2.999 15.349 1.00 0.00 N ATOM 280 CA GLN A 21 -1.545 -3.743 14.148 1.00 0.00 C ATOM 281 C GLN A 21 -1.827 -2.797 12.986 1.00 0.00 C ATOM 282 O GLN A 21 -1.908 -1.581 13.167 1.00 0.00 O ATOM 283 CB GLN A 21 -2.768 -4.621 14.415 1.00 0.00 C ATOM 284 CG GLN A 21 -2.587 -5.578 15.583 1.00 0.00 C ATOM 285 CD GLN A 21 -1.972 -6.899 15.165 1.00 0.00 C ATOM 286 OE1 GLN A 21 -2.671 -7.899 15.004 1.00 0.00 O ATOM 287 NE2 GLN A 21 -0.656 -6.909 14.987 1.00 0.00 N ATOM 0 H GLN A 21 -1.712 -3.260 16.182 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.702 -4.379 13.878 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.629 -3.981 14.610 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.995 -5.196 13.517 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.954 -5.110 16.337 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.555 -5.763 16.049 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.115 -6.056 15.132 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.186 -7.769 14.706 1.00 0.00 H new ATOM 296 N LEU A 22 -1.976 -3.361 11.793 1.00 0.00 N ATOM 297 CA LEU A 22 -2.249 -2.568 10.599 1.00 0.00 C ATOM 298 C LEU A 22 -3.700 -2.732 10.157 1.00 0.00 C ATOM 299 O LEU A 22 -4.442 -1.756 10.055 1.00 0.00 O ATOM 300 CB LEU A 22 -1.308 -2.977 9.465 1.00 0.00 C ATOM 301 CG LEU A 22 0.075 -2.325 9.471 1.00 0.00 C ATOM 302 CD1 LEU A 22 0.879 -2.766 8.258 1.00 0.00 C ATOM 303 CD2 LEU A 22 -0.050 -0.809 9.508 1.00 0.00 C ATOM 0 H LEU A 22 -1.912 -4.365 11.626 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.079 -1.519 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.178 -4.059 9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.793 -2.745 8.517 1.00 0.00 H new ATOM 0 HG LEU A 22 0.603 -2.648 10.368 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.860 -2.292 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.999 -3.849 8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.355 -2.474 7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.944 -0.362 9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.598 -0.468 8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.586 -0.510 10.409 1.00 0.00 H new ATOM 315 N GLY A 23 -4.097 -3.974 9.897 1.00 0.00 N ATOM 316 CA GLY A 23 -5.458 -4.243 9.471 1.00 0.00 C ATOM 317 C GLY A 23 -5.519 -4.896 8.104 1.00 0.00 C ATOM 318 O GLY A 23 -6.322 -5.801 7.876 1.00 0.00 O ATOM 0 H GLY A 23 -3.501 -4.798 9.974 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.943 -4.890 10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.020 -3.309 9.450 1.00 0.00 H new ATOM 322 N PHE A 24 -4.670 -4.435 7.192 1.00 0.00 N ATOM 323 CA PHE A 24 -4.632 -4.978 5.839 1.00 0.00 C ATOM 324 C PHE A 24 -3.510 -6.002 5.695 1.00 0.00 C ATOM 325 O PHE A 24 -2.420 -5.825 6.240 1.00 0.00 O ATOM 326 CB PHE A 24 -4.444 -3.853 4.820 1.00 0.00 C ATOM 327 CG PHE A 24 -3.139 -3.125 4.964 1.00 0.00 C ATOM 328 CD1 PHE A 24 -3.000 -2.102 5.889 1.00 0.00 C ATOM 329 CD2 PHE A 24 -2.051 -3.463 4.176 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.800 -1.430 6.024 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.848 -2.794 4.307 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.722 -1.777 5.233 1.00 0.00 C ATOM 0 H PHE A 24 -3.999 -3.687 7.365 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.582 -5.477 5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.509 -4.270 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.262 -3.140 4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.839 -1.827 6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.143 -4.258 3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.705 -0.634 6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.008 -3.066 3.686 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.217 -1.254 5.338 1.00 0.00 H new ATOM 342 N CYS A 25 -3.786 -7.073 4.959 1.00 0.00 N ATOM 343 CA CYS A 25 -2.801 -8.127 4.744 1.00 0.00 C ATOM 344 C CYS A 25 -2.248 -8.073 3.324 1.00 0.00 C ATOM 345 O CYS A 25 -3.001 -8.108 2.351 1.00 0.00 O ATOM 346 CB CYS A 25 -3.424 -9.499 5.009 1.00 0.00 C ATOM 347 SG CYS A 25 -4.055 -9.710 6.691 1.00 0.00 S ATOM 0 H CYS A 25 -4.683 -7.234 4.501 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.979 -7.969 5.442 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.240 -9.658 4.304 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.678 -10.269 4.813 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.564 -10.899 6.817 1.00 0.00 H new ATOM 353 N VAL A 26 -0.926 -7.985 3.212 1.00 0.00 N ATOM 354 CA VAL A 26 -0.271 -7.925 1.911 1.00 0.00 C ATOM 355 C VAL A 26 0.426 -9.241 1.585 1.00 0.00 C ATOM 356 O VAL A 26 1.194 -9.764 2.392 1.00 0.00 O ATOM 357 CB VAL A 26 0.760 -6.783 1.854 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.505 -6.801 0.527 1.00 0.00 C ATOM 359 CG2 VAL A 26 0.080 -5.440 2.075 1.00 0.00 C ATOM 0 H VAL A 26 -0.288 -7.954 4.007 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.051 -7.738 1.173 1.00 0.00 H new ATOM 0 HB VAL A 26 1.486 -6.933 2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.229 -5.987 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.025 -7.752 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.795 -6.677 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.824 -4.644 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.669 -5.280 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.402 -5.433 3.052 1.00 0.00 H new ATOM 369 N GLU A 27 0.154 -9.771 0.397 1.00 0.00 N ATOM 370 CA GLU A 27 0.755 -11.027 -0.035 1.00 0.00 C ATOM 371 C GLU A 27 1.422 -10.871 -1.399 1.00 0.00 C ATOM 372 O GLU A 27 0.748 -10.708 -2.416 1.00 0.00 O ATOM 373 CB GLU A 27 -0.303 -12.131 -0.096 1.00 0.00 C ATOM 374 CG GLU A 27 -0.893 -12.483 1.259 1.00 0.00 C ATOM 375 CD GLU A 27 -2.058 -13.449 1.154 1.00 0.00 C ATOM 376 OE1 GLU A 27 -1.809 -14.667 1.037 1.00 0.00 O ATOM 377 OE2 GLU A 27 -3.217 -12.986 1.189 1.00 0.00 O ATOM 0 H GLU A 27 -0.479 -9.350 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 27 1.517 -11.304 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.106 -11.816 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.142 -13.025 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.117 -12.922 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.225 -11.571 1.755 1.00 0.00 H new ATOM 384 N ASP A 28 2.749 -10.920 -1.411 1.00 0.00 N ATOM 385 CA ASP A 28 3.508 -10.784 -2.649 1.00 0.00 C ATOM 386 C ASP A 28 3.306 -9.402 -3.261 1.00 0.00 C ATOM 387 O ASP A 28 3.313 -9.245 -4.481 1.00 0.00 O ATOM 388 CB ASP A 28 3.092 -11.864 -3.648 1.00 0.00 C ATOM 389 CG ASP A 28 3.922 -13.126 -3.516 1.00 0.00 C ATOM 390 OD1 ASP A 28 4.282 -13.483 -2.374 1.00 0.00 O ATOM 391 OD2 ASP A 28 4.210 -13.758 -4.554 1.00 0.00 O ATOM 0 H ASP A 28 3.322 -11.053 -0.578 1.00 0.00 H new ATOM 0 HA ASP A 28 4.565 -10.906 -2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.040 -12.107 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.188 -11.474 -4.661 1.00 0.00 H new ATOM 396 N GLY A 29 3.125 -8.401 -2.404 1.00 0.00 N ATOM 397 CA GLY A 29 2.923 -7.045 -2.880 1.00 0.00 C ATOM 398 C GLY A 29 1.499 -6.798 -3.339 1.00 0.00 C ATOM 399 O GLY A 29 1.230 -5.835 -4.058 1.00 0.00 O ATOM 0 H GLY A 29 3.115 -8.505 -1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.172 -6.343 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.607 -6.847 -3.705 1.00 0.00 H new ATOM 403 N ILE A 30 0.586 -7.670 -2.925 1.00 0.00 N ATOM 404 CA ILE A 30 -0.817 -7.543 -3.299 1.00 0.00 C ATOM 405 C ILE A 30 -1.730 -7.827 -2.112 1.00 0.00 C ATOM 406 O ILE A 30 -1.794 -8.955 -1.621 1.00 0.00 O ATOM 407 CB ILE A 30 -1.181 -8.495 -4.453 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.378 -8.144 -5.707 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.674 -8.434 -4.739 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.484 -9.181 -6.803 1.00 0.00 C ATOM 0 H ILE A 30 0.793 -8.472 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.964 -6.514 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.929 -9.513 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.722 -7.184 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.670 -8.021 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.916 -9.112 -5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.228 -8.729 -3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.950 -7.417 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.110 -8.866 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.112 -10.138 -6.436 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.526 -9.288 -7.103 1.00 0.00 H new ATOM 422 N ILE A 31 -2.438 -6.798 -1.657 1.00 0.00 N ATOM 423 CA ILE A 31 -3.350 -6.939 -0.529 1.00 0.00 C ATOM 424 C ILE A 31 -4.460 -7.937 -0.841 1.00 0.00 C ATOM 425 O ILE A 31 -4.941 -8.013 -1.972 1.00 0.00 O ATOM 426 CB ILE A 31 -3.983 -5.588 -0.145 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.896 -4.530 0.054 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.823 -5.736 1.115 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.354 -3.125 -0.272 1.00 0.00 C ATOM 0 H ILE A 31 -2.397 -5.859 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.760 -7.306 0.310 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.635 -5.264 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.555 -4.561 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.039 -4.779 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.264 -4.773 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.616 -6.463 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.192 -6.078 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.533 -2.427 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.668 -3.077 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.192 -2.857 0.372 1.00 0.00 H new ATOM 441 N CYS A 32 -4.864 -8.699 0.169 1.00 0.00 N ATOM 442 CA CYS A 32 -5.919 -9.693 0.003 1.00 0.00 C ATOM 443 C CYS A 32 -7.074 -9.425 0.963 1.00 0.00 C ATOM 444 O CYS A 32 -8.240 -9.450 0.569 1.00 0.00 O ATOM 445 CB CYS A 32 -5.364 -11.099 0.234 1.00 0.00 C ATOM 446 SG CYS A 32 -6.400 -12.420 -0.437 1.00 0.00 S ATOM 0 H CYS A 32 -4.477 -8.648 1.111 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.295 -9.622 -1.018 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.373 -11.165 -0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.240 -11.258 1.305 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.821 -13.567 -0.242 1.00 0.00 H new ATOM 452 N SER A 33 -6.741 -9.170 2.224 1.00 0.00 N ATOM 453 CA SER A 33 -7.751 -8.903 3.242 1.00 0.00 C ATOM 454 C SER A 33 -7.564 -7.512 3.841 1.00 0.00 C ATOM 455 O SER A 33 -6.469 -6.948 3.801 1.00 0.00 O ATOM 456 CB SER A 33 -7.684 -9.959 4.347 1.00 0.00 C ATOM 457 OG SER A 33 -8.450 -11.102 4.007 1.00 0.00 O ATOM 0 H SER A 33 -5.780 -9.143 2.565 1.00 0.00 H new ATOM 0 HA SER A 33 -8.731 -8.947 2.766 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.647 -10.249 4.515 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.052 -9.536 5.282 1.00 0.00 H new ATOM 0 HG SER A 33 -8.390 -11.763 4.728 1.00 0.00 H new ATOM 463 N LEU A 34 -8.640 -6.965 4.395 1.00 0.00 N ATOM 464 CA LEU A 34 -8.596 -5.639 5.003 1.00 0.00 C ATOM 465 C LEU A 34 -9.452 -5.591 6.265 1.00 0.00 C ATOM 466 O LEU A 34 -10.616 -5.994 6.255 1.00 0.00 O ATOM 467 CB LEU A 34 -9.077 -4.583 4.006 1.00 0.00 C ATOM 468 CG LEU A 34 -8.489 -3.182 4.176 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.703 -2.357 2.917 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.105 -2.488 5.382 1.00 0.00 C ATOM 0 H LEU A 34 -9.553 -7.418 4.436 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.563 -5.426 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.848 -4.932 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.162 -4.511 4.079 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.416 -3.277 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.278 -1.363 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.214 -2.846 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.771 -2.270 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.675 -1.492 5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.183 -2.405 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.899 -3.069 6.281 1.00 0.00 H new ATOM 482 N LEU A 35 -8.869 -5.093 7.350 1.00 0.00 N ATOM 483 CA LEU A 35 -9.578 -4.989 8.620 1.00 0.00 C ATOM 484 C LEU A 35 -10.713 -3.973 8.529 1.00 0.00 C ATOM 485 O LEU A 35 -10.483 -2.765 8.577 1.00 0.00 O ATOM 486 CB LEU A 35 -8.611 -4.590 9.736 1.00 0.00 C ATOM 487 CG LEU A 35 -9.216 -4.460 11.134 1.00 0.00 C ATOM 488 CD1 LEU A 35 -9.312 -5.823 11.803 1.00 0.00 C ATOM 489 CD2 LEU A 35 -8.393 -3.503 11.985 1.00 0.00 C ATOM 0 H LEU A 35 -7.907 -4.755 7.375 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.006 -5.965 8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.810 -5.328 9.776 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.154 -3.637 9.470 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.223 -4.054 11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.745 -5.711 12.797 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.944 -6.479 11.204 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.316 -6.258 11.888 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.839 -3.423 12.977 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.374 -3.880 12.074 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.376 -2.520 11.514 1.00 0.00 H new ATOM 501 N ARG A 36 -11.938 -4.472 8.399 1.00 0.00 N ATOM 502 CA ARG A 36 -13.108 -3.609 8.302 1.00 0.00 C ATOM 503 C ARG A 36 -13.294 -2.799 9.581 1.00 0.00 C ATOM 504 O ARG A 36 -13.464 -3.359 10.663 1.00 0.00 O ATOM 505 CB ARG A 36 -14.362 -4.442 8.026 1.00 0.00 C ATOM 506 CG ARG A 36 -15.519 -3.633 7.464 1.00 0.00 C ATOM 507 CD ARG A 36 -16.770 -4.483 7.311 1.00 0.00 C ATOM 508 NE ARG A 36 -17.448 -4.695 8.587 1.00 0.00 N ATOM 509 CZ ARG A 36 -18.704 -5.116 8.691 1.00 0.00 C ATOM 510 NH1 ARG A 36 -19.414 -5.370 7.600 1.00 0.00 N ATOM 511 NH2 ARG A 36 -19.251 -5.285 9.888 1.00 0.00 N ATOM 0 H ARG A 36 -12.145 -5.470 8.358 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.950 -2.918 7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.112 -5.238 7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.681 -4.921 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.729 -2.790 8.122 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.238 -3.219 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.454 -3.999 6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.502 -5.447 6.878 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.929 -4.510 9.445 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.996 -5.242 6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.378 -5.693 7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.707 -5.092 10.729 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -20.215 -5.608 9.967 1.00 0.00 H new ATOM 525 N GLY A 37 -13.259 -1.476 9.449 1.00 0.00 N ATOM 526 CA GLY A 37 -13.424 -0.611 10.603 1.00 0.00 C ATOM 527 C GLY A 37 -12.114 -0.337 11.314 1.00 0.00 C ATOM 528 O GLY A 37 -12.046 -0.375 12.541 1.00 0.00 O ATOM 0 H GLY A 37 -13.119 -0.988 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.866 0.333 10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.123 -1.071 11.301 1.00 0.00 H new ATOM 532 N GLY A 38 -11.069 -0.060 10.540 1.00 0.00 N ATOM 533 CA GLY A 38 -9.768 0.216 11.121 1.00 0.00 C ATOM 534 C GLY A 38 -9.126 1.460 10.541 1.00 0.00 C ATOM 535 O GLY A 38 -9.809 2.446 10.262 1.00 0.00 O ATOM 0 H GLY A 38 -11.100 -0.022 9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.873 0.334 12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.111 -0.638 10.956 1.00 0.00 H new ATOM 539 N ILE A 39 -7.810 1.416 10.360 1.00 0.00 N ATOM 540 CA ILE A 39 -7.077 2.549 9.811 1.00 0.00 C ATOM 541 C ILE A 39 -7.027 2.485 8.288 1.00 0.00 C ATOM 542 O ILE A 39 -7.366 3.451 7.604 1.00 0.00 O ATOM 543 CB ILE A 39 -5.638 2.608 10.358 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.642 2.451 11.880 1.00 0.00 C ATOM 545 CG2 ILE A 39 -4.972 3.916 9.957 1.00 0.00 C ATOM 546 CD1 ILE A 39 -4.257 2.399 12.485 1.00 0.00 C ATOM 0 H ILE A 39 -7.230 0.608 10.586 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.611 3.448 10.118 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.067 1.785 9.928 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.192 3.282 12.322 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.179 1.539 12.142 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.956 3.943 10.351 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.942 3.991 8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.540 4.753 10.363 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.336 2.287 13.566 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.711 1.551 12.071 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.724 3.321 12.254 1.00 0.00 H new ATOM 558 N ALA A 40 -6.603 1.340 7.763 1.00 0.00 N ATOM 559 CA ALA A 40 -6.512 1.148 6.321 1.00 0.00 C ATOM 560 C ALA A 40 -7.789 1.608 5.625 1.00 0.00 C ATOM 561 O ALA A 40 -7.783 2.593 4.887 1.00 0.00 O ATOM 562 CB ALA A 40 -6.230 -0.312 6.000 1.00 0.00 C ATOM 0 H ALA A 40 -6.317 0.531 8.315 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.687 1.756 5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.165 -0.441 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.287 -0.610 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.036 -0.933 6.391 1.00 0.00 H new ATOM 568 N GLU A 41 -8.880 0.888 5.864 1.00 0.00 N ATOM 569 CA GLU A 41 -10.163 1.222 5.257 1.00 0.00 C ATOM 570 C GLU A 41 -10.400 2.730 5.281 1.00 0.00 C ATOM 571 O GLU A 41 -10.891 3.307 4.311 1.00 0.00 O ATOM 572 CB GLU A 41 -11.300 0.505 5.988 1.00 0.00 C ATOM 573 CG GLU A 41 -12.638 0.600 5.274 1.00 0.00 C ATOM 574 CD GLU A 41 -13.804 0.214 6.165 1.00 0.00 C ATOM 575 OE1 GLU A 41 -14.062 -0.999 6.311 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.457 1.125 6.716 1.00 0.00 O ATOM 0 H GLU A 41 -8.901 0.070 6.473 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.142 0.891 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.037 -0.546 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.401 0.927 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.782 1.619 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.625 -0.048 4.398 1.00 0.00 H new ATOM 583 N ARG A 42 -10.047 3.361 6.396 1.00 0.00 N ATOM 584 CA ARG A 42 -10.222 4.800 6.548 1.00 0.00 C ATOM 585 C ARG A 42 -9.266 5.563 5.635 1.00 0.00 C ATOM 586 O ARG A 42 -9.613 6.612 5.094 1.00 0.00 O ATOM 587 CB ARG A 42 -9.993 5.213 8.003 1.00 0.00 C ATOM 588 CG ARG A 42 -11.177 4.927 8.911 1.00 0.00 C ATOM 589 CD ARG A 42 -11.157 5.810 10.149 1.00 0.00 C ATOM 590 NE ARG A 42 -11.842 5.186 11.277 1.00 0.00 N ATOM 591 CZ ARG A 42 -12.222 5.850 12.364 1.00 0.00 C ATOM 592 NH1 ARG A 42 -11.984 7.150 12.468 1.00 0.00 N ATOM 593 NH2 ARG A 42 -12.841 5.212 13.349 1.00 0.00 N ATOM 0 H ARG A 42 -9.638 2.898 7.208 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.245 5.048 6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.117 4.690 8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.768 6.279 8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.105 5.089 8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.162 3.879 9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.124 6.024 10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.630 6.765 9.921 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.040 4.187 11.228 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.508 7.643 11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.277 7.657 13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.025 4.212 13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.132 5.722 14.183 1.00 0.00 H new ATOM 607 N GLY A 43 -8.060 5.028 5.469 1.00 0.00 N ATOM 608 CA GLY A 43 -7.073 5.672 4.622 1.00 0.00 C ATOM 609 C GLY A 43 -7.450 5.625 3.154 1.00 0.00 C ATOM 610 O GLY A 43 -7.396 6.639 2.460 1.00 0.00 O ATOM 0 H GLY A 43 -7.749 4.160 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.956 6.711 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.107 5.187 4.762 1.00 0.00 H new ATOM 614 N GLY A 44 -7.831 4.443 2.680 1.00 0.00 N ATOM 615 CA GLY A 44 -8.211 4.290 1.288 1.00 0.00 C ATOM 616 C GLY A 44 -7.564 3.081 0.640 1.00 0.00 C ATOM 617 O GLY A 44 -7.259 3.097 -0.553 1.00 0.00 O ATOM 0 H GLY A 44 -7.883 3.589 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.295 4.199 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.930 5.188 0.737 1.00 0.00 H new ATOM 621 N ILE A 45 -7.355 2.032 1.428 1.00 0.00 N ATOM 622 CA ILE A 45 -6.740 0.810 0.923 1.00 0.00 C ATOM 623 C ILE A 45 -7.790 -0.143 0.363 1.00 0.00 C ATOM 624 O ILE A 45 -8.837 -0.358 0.974 1.00 0.00 O ATOM 625 CB ILE A 45 -5.941 0.086 2.023 1.00 0.00 C ATOM 626 CG1 ILE A 45 -4.855 1.006 2.584 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.328 -1.195 1.477 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.726 1.270 1.613 1.00 0.00 C ATOM 0 H ILE A 45 -7.602 2.003 2.417 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.059 1.106 0.125 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.622 -0.177 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.307 1.956 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.446 0.561 3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.767 -1.695 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.120 -1.854 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.658 -0.955 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.993 1.929 2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.248 0.327 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.122 1.744 0.715 1.00 0.00 H new ATOM 640 N ARG A 46 -7.502 -0.714 -0.802 1.00 0.00 N ATOM 641 CA ARG A 46 -8.421 -1.645 -1.445 1.00 0.00 C ATOM 642 C ARG A 46 -7.721 -2.960 -1.775 1.00 0.00 C ATOM 643 O ARG A 46 -6.747 -2.985 -2.528 1.00 0.00 O ATOM 644 CB ARG A 46 -8.997 -1.027 -2.721 1.00 0.00 C ATOM 645 CG ARG A 46 -10.281 -0.247 -2.495 1.00 0.00 C ATOM 646 CD ARG A 46 -11.494 -1.164 -2.474 1.00 0.00 C ATOM 647 NE ARG A 46 -12.742 -0.424 -2.636 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.875 -0.976 -3.057 1.00 0.00 C ATOM 649 NH1 ARG A 46 -13.916 -2.267 -3.356 1.00 0.00 N ATOM 650 NH2 ARG A 46 -14.970 -0.236 -3.178 1.00 0.00 N ATOM 0 H ARG A 46 -6.639 -0.548 -1.320 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.235 -1.851 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.252 -0.364 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.186 -1.820 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.217 0.295 -1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.400 0.497 -3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.404 -1.902 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.517 -1.713 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.744 0.571 -2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.077 -2.839 -3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.787 -2.688 -3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.942 0.757 -2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.839 -0.661 -3.501 1.00 0.00 H new ATOM 664 N VAL A 47 -8.223 -4.051 -1.205 1.00 0.00 N ATOM 665 CA VAL A 47 -7.647 -5.369 -1.438 1.00 0.00 C ATOM 666 C VAL A 47 -7.651 -5.717 -2.922 1.00 0.00 C ATOM 667 O VAL A 47 -8.565 -5.341 -3.655 1.00 0.00 O ATOM 668 CB VAL A 47 -8.411 -6.461 -0.664 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.505 -6.103 0.811 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.795 -6.666 -1.261 1.00 0.00 C ATOM 0 H VAL A 47 -9.028 -4.047 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.618 -5.332 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.860 -7.398 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.048 -6.885 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.502 -6.011 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.033 -5.156 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.321 -7.440 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.357 -5.734 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.700 -6.971 -2.303 1.00 0.00 H new ATOM 680 N GLY A 48 -6.623 -6.438 -3.359 1.00 0.00 N ATOM 681 CA GLY A 48 -6.528 -6.824 -4.754 1.00 0.00 C ATOM 682 C GLY A 48 -5.613 -5.912 -5.548 1.00 0.00 C ATOM 683 O GLY A 48 -5.007 -6.334 -6.534 1.00 0.00 O ATOM 0 H GLY A 48 -5.854 -6.761 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.161 -7.848 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.523 -6.812 -5.199 1.00 0.00 H new ATOM 687 N HIS A 49 -5.513 -4.658 -5.118 1.00 0.00 N ATOM 688 CA HIS A 49 -4.666 -3.684 -5.796 1.00 0.00 C ATOM 689 C HIS A 49 -3.191 -3.962 -5.522 1.00 0.00 C ATOM 690 O HIS A 49 -2.800 -4.224 -4.385 1.00 0.00 O ATOM 691 CB HIS A 49 -5.022 -2.266 -5.346 1.00 0.00 C ATOM 692 CG HIS A 49 -6.225 -1.703 -6.036 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.363 -0.364 -6.335 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.349 -2.306 -6.489 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.521 -0.167 -6.940 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.139 -1.330 -7.046 1.00 0.00 N ATOM 0 H HIS A 49 -6.008 -4.293 -4.304 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.841 -3.772 -6.868 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.198 -2.269 -4.270 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.170 -1.611 -5.528 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.581 -3.359 -6.425 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.898 0.783 -7.289 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.054 -1.479 -7.472 1.00 0.00 H new ATOM 704 N ARG A 50 -2.378 -3.903 -6.572 1.00 0.00 N ATOM 705 CA ARG A 50 -0.947 -4.151 -6.445 1.00 0.00 C ATOM 706 C ARG A 50 -0.197 -2.860 -6.130 1.00 0.00 C ATOM 707 O ARG A 50 -0.442 -1.823 -6.747 1.00 0.00 O ATOM 708 CB ARG A 50 -0.398 -4.771 -7.731 1.00 0.00 C ATOM 709 CG ARG A 50 1.120 -4.810 -7.790 1.00 0.00 C ATOM 710 CD ARG A 50 1.677 -6.006 -7.034 1.00 0.00 C ATOM 711 NE ARG A 50 1.800 -7.184 -7.889 1.00 0.00 N ATOM 712 CZ ARG A 50 2.808 -7.379 -8.731 1.00 0.00 C ATOM 713 NH1 ARG A 50 3.777 -6.479 -8.830 1.00 0.00 N ATOM 714 NH2 ARG A 50 2.850 -8.477 -9.475 1.00 0.00 N ATOM 0 H ARG A 50 -2.686 -3.686 -7.520 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.797 -4.849 -5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.783 -5.786 -7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.772 -4.206 -8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.444 -4.853 -8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.525 -3.890 -7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.654 -5.752 -6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.027 -6.237 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 50 1.071 -7.896 -7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.749 -5.635 -8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.550 -6.631 -9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.107 -9.172 -9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.625 -8.626 -10.121 1.00 0.00 H new ATOM 728 N ILE A 51 0.715 -2.931 -5.167 1.00 0.00 N ATOM 729 CA ILE A 51 1.500 -1.768 -4.772 1.00 0.00 C ATOM 730 C ILE A 51 2.632 -1.507 -5.760 1.00 0.00 C ATOM 731 O ILE A 51 3.254 -2.441 -6.268 1.00 0.00 O ATOM 732 CB ILE A 51 2.095 -1.943 -3.362 1.00 0.00 C ATOM 733 CG1 ILE A 51 1.020 -2.432 -2.389 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.700 -0.634 -2.876 1.00 0.00 C ATOM 735 CD1 ILE A 51 0.035 -1.357 -1.986 1.00 0.00 C ATOM 0 H ILE A 51 0.929 -3.781 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 51 0.821 -0.916 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 51 2.886 -2.692 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.476 -3.258 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.503 -2.825 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.116 -0.774 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.491 -0.323 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.927 0.134 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.698 -1.775 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.567 -0.540 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.475 -0.980 -2.872 1.00 0.00 H new ATOM 747 N ILE A 52 2.896 -0.232 -6.026 1.00 0.00 N ATOM 748 CA ILE A 52 3.955 0.151 -6.951 1.00 0.00 C ATOM 749 C ILE A 52 4.956 1.088 -6.282 1.00 0.00 C ATOM 750 O ILE A 52 6.110 1.178 -6.699 1.00 0.00 O ATOM 751 CB ILE A 52 3.385 0.838 -8.206 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.530 2.044 -7.810 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.571 -0.150 -9.027 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.135 2.915 -8.982 1.00 0.00 C ATOM 0 H ILE A 52 2.391 0.553 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 52 4.462 -0.767 -7.248 1.00 0.00 H new ATOM 0 HB ILE A 52 4.215 1.191 -8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.628 1.691 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.080 2.648 -7.088 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.175 0.351 -9.911 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.208 -0.979 -9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.746 -0.530 -8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.531 3.750 -8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.032 3.297 -9.470 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.558 2.326 -9.695 1.00 0.00 H new ATOM 766 N GLU A 53 4.505 1.782 -5.242 1.00 0.00 N ATOM 767 CA GLU A 53 5.362 2.712 -4.515 1.00 0.00 C ATOM 768 C GLU A 53 4.871 2.897 -3.082 1.00 0.00 C ATOM 769 O GLU A 53 3.669 2.994 -2.834 1.00 0.00 O ATOM 770 CB GLU A 53 5.407 4.064 -5.230 1.00 0.00 C ATOM 771 CG GLU A 53 6.716 4.810 -5.038 1.00 0.00 C ATOM 772 CD GLU A 53 6.926 5.896 -6.075 1.00 0.00 C ATOM 773 OE1 GLU A 53 6.250 6.942 -5.983 1.00 0.00 O ATOM 774 OE2 GLU A 53 7.766 5.701 -6.978 1.00 0.00 O ATOM 0 H GLU A 53 3.552 1.718 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 53 6.367 2.292 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.241 3.908 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.588 4.685 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.734 5.255 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.544 4.102 -5.086 1.00 0.00 H new ATOM 781 N ILE A 54 5.810 2.945 -2.143 1.00 0.00 N ATOM 782 CA ILE A 54 5.474 3.119 -0.736 1.00 0.00 C ATOM 783 C ILE A 54 6.355 4.181 -0.087 1.00 0.00 C ATOM 784 O ILE A 54 7.574 4.178 -0.256 1.00 0.00 O ATOM 785 CB ILE A 54 5.620 1.800 0.045 1.00 0.00 C ATOM 786 CG1 ILE A 54 7.095 1.408 0.156 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.822 0.694 -0.629 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.775 1.960 1.389 1.00 0.00 C ATOM 0 H ILE A 54 6.809 2.866 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 54 4.433 3.441 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 54 5.225 1.945 1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.174 0.321 0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.624 1.760 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.935 -0.232 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.769 0.973 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.189 0.547 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.818 1.643 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.727 3.049 1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.271 1.587 2.280 1.00 0.00 H new ATOM 800 N ASN A 55 5.730 5.088 0.657 1.00 0.00 N ATOM 801 CA ASN A 55 6.458 6.156 1.333 1.00 0.00 C ATOM 802 C ASN A 55 7.474 6.799 0.395 1.00 0.00 C ATOM 803 O ASN A 55 8.547 7.225 0.822 1.00 0.00 O ATOM 804 CB ASN A 55 7.167 5.611 2.575 1.00 0.00 C ATOM 805 CG ASN A 55 6.193 5.142 3.638 1.00 0.00 C ATOM 806 OD1 ASN A 55 5.965 5.829 4.634 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.612 3.966 3.430 1.00 0.00 N ATOM 0 H ASN A 55 4.721 5.105 0.807 1.00 0.00 H new ATOM 0 HA ASN A 55 5.739 6.916 1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.813 4.782 2.287 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.810 6.386 2.992 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.947 3.598 4.110 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.831 3.430 2.590 1.00 0.00 H new ATOM 814 N GLY A 56 7.128 6.868 -0.888 1.00 0.00 N ATOM 815 CA GLY A 56 8.020 7.461 -1.866 1.00 0.00 C ATOM 816 C GLY A 56 9.194 6.562 -2.202 1.00 0.00 C ATOM 817 O GLY A 56 10.329 7.026 -2.302 1.00 0.00 O ATOM 0 H GLY A 56 6.246 6.523 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.462 7.680 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.392 8.412 -1.484 1.00 0.00 H new ATOM 821 N GLN A 57 8.919 5.273 -2.374 1.00 0.00 N ATOM 822 CA GLN A 57 9.963 4.307 -2.697 1.00 0.00 C ATOM 823 C GLN A 57 9.430 3.221 -3.625 1.00 0.00 C ATOM 824 O GLN A 57 8.511 2.482 -3.270 1.00 0.00 O ATOM 825 CB GLN A 57 10.516 3.676 -1.419 1.00 0.00 C ATOM 826 CG GLN A 57 11.455 4.589 -0.646 1.00 0.00 C ATOM 827 CD GLN A 57 12.502 3.821 0.137 1.00 0.00 C ATOM 828 OE1 GLN A 57 13.139 2.907 -0.387 1.00 0.00 O ATOM 829 NE2 GLN A 57 12.686 4.190 1.399 1.00 0.00 N ATOM 0 H GLN A 57 7.984 4.874 -2.295 1.00 0.00 H new ATOM 0 HA GLN A 57 10.767 4.836 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.684 3.394 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 57 11.045 2.758 -1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.951 5.266 -1.341 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.874 5.205 0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.136 4.953 1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.378 3.710 1.975 1.00 0.00 H new ATOM 838 N SER A 58 10.012 3.130 -4.817 1.00 0.00 N ATOM 839 CA SER A 58 9.592 2.136 -5.798 1.00 0.00 C ATOM 840 C SER A 58 9.665 0.729 -5.213 1.00 0.00 C ATOM 841 O SER A 58 10.713 0.299 -4.729 1.00 0.00 O ATOM 842 CB SER A 58 10.466 2.225 -7.051 1.00 0.00 C ATOM 843 OG SER A 58 11.805 1.859 -6.766 1.00 0.00 O ATOM 0 H SER A 58 10.775 3.732 -5.126 1.00 0.00 H new ATOM 0 HA SER A 58 8.557 2.344 -6.069 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.064 1.572 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.439 3.241 -7.445 1.00 0.00 H new ATOM 0 HG SER A 58 11.829 1.316 -5.950 1.00 0.00 H new ATOM 849 N VAL A 59 8.544 0.017 -5.260 1.00 0.00 N ATOM 850 CA VAL A 59 8.480 -1.342 -4.735 1.00 0.00 C ATOM 851 C VAL A 59 8.127 -2.339 -5.834 1.00 0.00 C ATOM 852 O VAL A 59 8.240 -3.551 -5.647 1.00 0.00 O ATOM 853 CB VAL A 59 7.445 -1.457 -3.601 1.00 0.00 C ATOM 854 CG1 VAL A 59 7.840 -0.576 -2.426 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.057 -1.094 -4.107 1.00 0.00 C ATOM 0 H VAL A 59 7.668 0.358 -5.656 1.00 0.00 H new ATOM 0 HA VAL A 59 9.468 -1.576 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 59 7.422 -2.491 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.097 -0.670 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.814 -0.888 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.893 0.463 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.338 -1.181 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.062 -0.069 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.775 -1.771 -4.913 1.00 0.00 H new ATOM 865 N VAL A 60 7.698 -1.821 -6.980 1.00 0.00 N ATOM 866 CA VAL A 60 7.330 -2.665 -8.110 1.00 0.00 C ATOM 867 C VAL A 60 8.332 -3.797 -8.300 1.00 0.00 C ATOM 868 O VAL A 60 8.007 -4.839 -8.870 1.00 0.00 O ATOM 869 CB VAL A 60 7.240 -1.850 -9.414 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.499 -1.020 -9.613 1.00 0.00 C ATOM 871 CG2 VAL A 60 7.004 -2.770 -10.602 1.00 0.00 C ATOM 0 H VAL A 60 7.597 -0.820 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 60 6.350 -3.085 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 60 6.393 -1.168 -9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.417 -0.451 -10.539 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.618 -0.334 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.365 -1.680 -9.668 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.943 -2.177 -11.515 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.829 -3.478 -10.683 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.071 -3.315 -10.460 1.00 0.00 H new ATOM 881 N ALA A 61 9.553 -3.586 -7.819 1.00 0.00 N ATOM 882 CA ALA A 61 10.603 -4.591 -7.933 1.00 0.00 C ATOM 883 C ALA A 61 11.052 -5.074 -6.559 1.00 0.00 C ATOM 884 O ALA A 61 11.272 -6.268 -6.349 1.00 0.00 O ATOM 885 CB ALA A 61 11.786 -4.031 -8.710 1.00 0.00 C ATOM 0 H ALA A 61 9.839 -2.728 -7.347 1.00 0.00 H new ATOM 0 HA ALA A 61 10.197 -5.445 -8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.563 -4.791 -8.788 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.461 -3.741 -9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.183 -3.159 -8.190 1.00 0.00 H new ATOM 891 N THR A 62 11.189 -4.140 -5.623 1.00 0.00 N ATOM 892 CA THR A 62 11.614 -4.471 -4.269 1.00 0.00 C ATOM 893 C THR A 62 10.963 -5.763 -3.788 1.00 0.00 C ATOM 894 O THR A 62 9.783 -6.018 -4.027 1.00 0.00 O ATOM 895 CB THR A 62 11.272 -3.339 -3.280 1.00 0.00 C ATOM 896 OG1 THR A 62 11.974 -2.145 -3.642 1.00 0.00 O ATOM 897 CG2 THR A 62 11.635 -3.736 -1.857 1.00 0.00 C ATOM 0 H THR A 62 11.012 -3.148 -5.778 1.00 0.00 H new ATOM 0 HA THR A 62 12.696 -4.602 -4.301 1.00 0.00 H new ATOM 0 HB THR A 62 10.198 -3.157 -3.326 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.750 -1.430 -3.010 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.385 -2.922 -1.177 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.077 -4.629 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.704 -3.942 -1.798 1.00 0.00 H new ATOM 905 N PRO A 63 11.749 -6.600 -3.095 1.00 0.00 N ATOM 906 CA PRO A 63 11.270 -7.880 -2.565 1.00 0.00 C ATOM 907 C PRO A 63 10.283 -7.699 -1.417 1.00 0.00 C ATOM 908 O PRO A 63 10.461 -6.831 -0.562 1.00 0.00 O ATOM 909 CB PRO A 63 12.548 -8.560 -2.069 1.00 0.00 C ATOM 910 CG PRO A 63 13.484 -7.438 -1.774 1.00 0.00 C ATOM 911 CD PRO A 63 13.166 -6.361 -2.774 1.00 0.00 C ATOM 0 HA PRO A 63 10.729 -8.455 -3.317 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.357 -9.161 -1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.959 -9.230 -2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.350 -7.076 -0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.521 -7.761 -1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.321 -5.366 -2.356 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.797 -6.436 -3.660 1.00 0.00 H new ATOM 919 N HIS A 64 9.241 -8.525 -1.404 1.00 0.00 N ATOM 920 CA HIS A 64 8.225 -8.456 -0.359 1.00 0.00 C ATOM 921 C HIS A 64 8.860 -8.167 0.998 1.00 0.00 C ATOM 922 O HIS A 64 8.443 -7.250 1.706 1.00 0.00 O ATOM 923 CB HIS A 64 7.437 -9.765 -0.298 1.00 0.00 C ATOM 924 CG HIS A 64 6.397 -9.788 0.780 1.00 0.00 C ATOM 925 ND1 HIS A 64 5.043 -9.801 0.518 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.518 -9.802 2.128 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.377 -9.821 1.659 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.249 -9.822 2.651 1.00 0.00 N ATOM 0 H HIS A 64 9.078 -9.249 -2.104 1.00 0.00 H new ATOM 0 HA HIS A 64 7.543 -7.641 -0.602 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.955 -9.934 -1.261 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.131 -10.590 -0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.441 -9.798 2.688 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.302 -9.834 1.763 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.017 -9.835 3.644 1.00 0.00 H new ATOM 936 N ALA A 65 9.869 -8.954 1.353 1.00 0.00 N ATOM 937 CA ALA A 65 10.562 -8.781 2.624 1.00 0.00 C ATOM 938 C ALA A 65 10.739 -7.304 2.957 1.00 0.00 C ATOM 939 O ALA A 65 10.145 -6.796 3.908 1.00 0.00 O ATOM 940 CB ALA A 65 11.913 -9.482 2.589 1.00 0.00 C ATOM 0 H ALA A 65 10.225 -9.718 0.779 1.00 0.00 H new ATOM 0 HA ALA A 65 9.951 -9.232 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.419 -9.344 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.766 -10.546 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.523 -9.058 1.791 1.00 0.00 H new ATOM 946 N ARG A 66 11.559 -6.618 2.167 1.00 0.00 N ATOM 947 CA ARG A 66 11.815 -5.199 2.379 1.00 0.00 C ATOM 948 C ARG A 66 10.508 -4.425 2.519 1.00 0.00 C ATOM 949 O ARG A 66 10.302 -3.707 3.498 1.00 0.00 O ATOM 950 CB ARG A 66 12.637 -4.628 1.221 1.00 0.00 C ATOM 951 CG ARG A 66 13.558 -3.491 1.631 1.00 0.00 C ATOM 952 CD ARG A 66 14.721 -3.991 2.472 1.00 0.00 C ATOM 953 NE ARG A 66 15.875 -4.350 1.653 1.00 0.00 N ATOM 954 CZ ARG A 66 16.776 -3.472 1.227 1.00 0.00 C ATOM 955 NH1 ARG A 66 16.657 -2.189 1.542 1.00 0.00 N ATOM 956 NH2 ARG A 66 17.799 -3.876 0.485 1.00 0.00 N ATOM 0 H ARG A 66 12.057 -7.023 1.374 1.00 0.00 H new ATOM 0 HA ARG A 66 12.381 -5.093 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.234 -5.427 0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.959 -4.273 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.940 -2.992 0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.993 -2.749 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.009 -3.220 3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.403 -4.858 3.050 1.00 0.00 H new ATOM 0 HE ARG A 66 15.996 -5.329 1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.872 -1.875 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.350 -1.517 1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.894 -4.862 0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.490 -3.201 0.158 1.00 0.00 H new ATOM 970 N ILE A 67 9.628 -4.577 1.534 1.00 0.00 N ATOM 971 CA ILE A 67 8.341 -3.894 1.548 1.00 0.00 C ATOM 972 C ILE A 67 7.705 -3.948 2.933 1.00 0.00 C ATOM 973 O ILE A 67 7.149 -2.958 3.411 1.00 0.00 O ATOM 974 CB ILE A 67 7.367 -4.506 0.524 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.955 -4.420 -0.886 1.00 0.00 C ATOM 976 CG2 ILE A 67 6.021 -3.801 0.587 1.00 0.00 C ATOM 977 CD1 ILE A 67 7.129 -5.137 -1.930 1.00 0.00 C ATOM 0 H ILE A 67 9.784 -5.167 0.717 1.00 0.00 H new ATOM 0 HA ILE A 67 8.533 -2.855 1.279 1.00 0.00 H new ATOM 0 HB ILE A 67 7.216 -5.557 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.051 -3.371 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.960 -4.841 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.343 -4.245 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.600 -3.910 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.154 -2.743 0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.606 -5.034 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.054 -6.193 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.131 -4.701 -1.967 1.00 0.00 H new ATOM 989 N ILE A 68 7.792 -5.109 3.573 1.00 0.00 N ATOM 990 CA ILE A 68 7.227 -5.291 4.905 1.00 0.00 C ATOM 991 C ILE A 68 7.966 -4.444 5.936 1.00 0.00 C ATOM 992 O ILE A 68 7.358 -3.895 6.853 1.00 0.00 O ATOM 993 CB ILE A 68 7.276 -6.767 5.340 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.476 -7.635 4.366 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.741 -6.920 6.756 1.00 0.00 C ATOM 996 CD1 ILE A 68 5.006 -7.283 4.310 1.00 0.00 C ATOM 0 H ILE A 68 8.248 -5.938 3.191 1.00 0.00 H new ATOM 0 HA ILE A 68 6.187 -4.970 4.853 1.00 0.00 H new ATOM 0 HB ILE A 68 8.314 -7.100 5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.903 -7.535 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.580 -8.681 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.782 -7.969 7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.349 -6.328 7.440 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.708 -6.573 6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.502 -7.938 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.564 -7.410 5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.892 -6.247 3.992 1.00 0.00 H new ATOM 1008 N GLU A 69 9.282 -4.343 5.776 1.00 0.00 N ATOM 1009 CA GLU A 69 10.104 -3.562 6.693 1.00 0.00 C ATOM 1010 C GLU A 69 9.850 -2.068 6.514 1.00 0.00 C ATOM 1011 O GLU A 69 9.758 -1.320 7.489 1.00 0.00 O ATOM 1012 CB GLU A 69 11.587 -3.868 6.471 1.00 0.00 C ATOM 1013 CG GLU A 69 12.103 -5.022 7.315 1.00 0.00 C ATOM 1014 CD GLU A 69 11.256 -6.272 7.174 1.00 0.00 C ATOM 1015 OE1 GLU A 69 10.155 -6.313 7.760 1.00 0.00 O ATOM 1016 OE2 GLU A 69 11.697 -7.210 6.476 1.00 0.00 O ATOM 0 H GLU A 69 9.801 -4.792 5.021 1.00 0.00 H new ATOM 0 HA GLU A 69 9.831 -3.840 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.748 -4.099 5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.171 -2.975 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.129 -5.248 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.126 -4.720 8.362 1.00 0.00 H new ATOM 1023 N LEU A 70 9.738 -1.639 5.261 1.00 0.00 N ATOM 1024 CA LEU A 70 9.495 -0.234 4.952 1.00 0.00 C ATOM 1025 C LEU A 70 8.128 0.208 5.466 1.00 0.00 C ATOM 1026 O LEU A 70 8.029 1.095 6.314 1.00 0.00 O ATOM 1027 CB LEU A 70 9.585 0.000 3.443 1.00 0.00 C ATOM 1028 CG LEU A 70 10.954 -0.243 2.808 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.865 -0.141 1.293 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.977 0.744 3.351 1.00 0.00 C ATOM 0 H LEU A 70 9.812 -2.244 4.443 1.00 0.00 H new ATOM 0 HA LEU A 70 10.260 0.360 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.858 -0.647 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.288 1.028 3.236 1.00 0.00 H new ATOM 0 HG LEU A 70 11.279 -1.251 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.849 -0.317 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.164 -0.887 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.518 0.854 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.946 0.556 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.657 1.761 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.062 0.623 4.431 1.00 0.00 H new ATOM 1042 N LEU A 71 7.077 -0.418 4.948 1.00 0.00 N ATOM 1043 CA LEU A 71 5.715 -0.091 5.355 1.00 0.00 C ATOM 1044 C LEU A 71 5.608 0.000 6.874 1.00 0.00 C ATOM 1045 O LEU A 71 5.109 0.988 7.415 1.00 0.00 O ATOM 1046 CB LEU A 71 4.737 -1.142 4.826 1.00 0.00 C ATOM 1047 CG LEU A 71 4.162 -0.883 3.434 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.514 -2.143 2.880 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.158 0.261 3.475 1.00 0.00 C ATOM 0 H LEU A 71 7.142 -1.155 4.246 1.00 0.00 H new ATOM 0 HA LEU A 71 5.459 0.880 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.243 -2.107 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.909 -1.225 5.530 1.00 0.00 H new ATOM 0 HG LEU A 71 4.980 -0.599 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.110 -1.939 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.259 -2.936 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.708 -2.459 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.759 0.431 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.343 0.006 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.652 1.166 3.827 1.00 0.00 H new ATOM 1061 N THR A 72 6.082 -1.036 7.559 1.00 0.00 N ATOM 1062 CA THR A 72 6.041 -1.072 9.016 1.00 0.00 C ATOM 1063 C THR A 72 6.854 0.068 9.617 1.00 0.00 C ATOM 1064 O THR A 72 6.382 0.778 10.505 1.00 0.00 O ATOM 1065 CB THR A 72 6.574 -2.411 9.559 1.00 0.00 C ATOM 1066 OG1 THR A 72 5.768 -3.492 9.075 1.00 0.00 O ATOM 1067 CG2 THR A 72 6.576 -2.415 11.080 1.00 0.00 C ATOM 0 H THR A 72 6.499 -1.861 7.128 1.00 0.00 H new ATOM 0 HA THR A 72 4.996 -0.961 9.306 1.00 0.00 H new ATOM 0 HB THR A 72 7.599 -2.538 9.209 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.155 -3.843 8.246 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.956 -3.371 11.441 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.213 -1.610 11.445 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.560 -2.268 11.446 1.00 0.00 H new ATOM 1075 N GLU A 73 8.079 0.237 9.128 1.00 0.00 N ATOM 1076 CA GLU A 73 8.958 1.292 9.619 1.00 0.00 C ATOM 1077 C GLU A 73 8.301 2.661 9.469 1.00 0.00 C ATOM 1078 O GLU A 73 8.526 3.561 10.277 1.00 0.00 O ATOM 1079 CB GLU A 73 10.290 1.268 8.867 1.00 0.00 C ATOM 1080 CG GLU A 73 11.298 0.290 9.446 1.00 0.00 C ATOM 1081 CD GLU A 73 11.641 0.594 10.891 1.00 0.00 C ATOM 1082 OE1 GLU A 73 12.521 1.448 11.126 1.00 0.00 O ATOM 1083 OE2 GLU A 73 11.029 -0.023 11.788 1.00 0.00 O ATOM 0 H GLU A 73 8.485 -0.343 8.393 1.00 0.00 H new ATOM 0 HA GLU A 73 9.144 1.111 10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.104 1.011 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.721 2.269 8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.898 -0.722 9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.208 0.315 8.847 1.00 0.00 H new ATOM 1090 N ALA A 74 7.488 2.810 8.428 1.00 0.00 N ATOM 1091 CA ALA A 74 6.797 4.068 8.172 1.00 0.00 C ATOM 1092 C ALA A 74 5.822 4.398 9.297 1.00 0.00 C ATOM 1093 O ALA A 74 4.874 3.654 9.548 1.00 0.00 O ATOM 1094 CB ALA A 74 6.066 4.007 6.839 1.00 0.00 C ATOM 0 H ALA A 74 7.292 2.075 7.748 1.00 0.00 H new ATOM 0 HA ALA A 74 7.543 4.861 8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.555 4.953 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.783 3.826 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.336 3.198 6.861 1.00 0.00 H new ATOM 1100 N TYR A 75 6.063 5.516 9.973 1.00 0.00 N ATOM 1101 CA TYR A 75 5.207 5.943 11.074 1.00 0.00 C ATOM 1102 C TYR A 75 4.357 7.143 10.670 1.00 0.00 C ATOM 1103 O TYR A 75 4.533 7.709 9.592 1.00 0.00 O ATOM 1104 CB TYR A 75 6.054 6.293 12.299 1.00 0.00 C ATOM 1105 CG TYR A 75 7.316 5.468 12.419 1.00 0.00 C ATOM 1106 CD1 TYR A 75 8.501 5.885 11.826 1.00 0.00 C ATOM 1107 CD2 TYR A 75 7.322 4.272 13.127 1.00 0.00 C ATOM 1108 CE1 TYR A 75 9.655 5.134 11.932 1.00 0.00 C ATOM 1109 CE2 TYR A 75 8.472 3.516 13.240 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.636 3.950 12.640 1.00 0.00 C ATOM 1111 OH TYR A 75 10.785 3.200 12.750 1.00 0.00 O ATOM 0 H TYR A 75 6.844 6.143 9.778 1.00 0.00 H new ATOM 0 HA TYR A 75 4.541 5.117 11.324 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.323 7.348 12.255 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.453 6.155 13.198 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.520 6.812 11.273 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.412 3.928 13.597 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.567 5.472 11.463 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.460 2.590 13.795 1.00 0.00 H new ATOM 0 HH TYR A 75 11.271 3.219 11.899 1.00 0.00 H new ATOM 1121 N GLY A 76 3.432 7.526 11.545 1.00 0.00 N ATOM 1122 CA GLY A 76 2.567 8.657 11.263 1.00 0.00 C ATOM 1123 C GLY A 76 1.956 8.588 9.877 1.00 0.00 C ATOM 1124 O GLY A 76 1.201 7.666 9.571 1.00 0.00 O ATOM 0 H GLY A 76 3.266 7.073 12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.771 8.696 12.006 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.138 9.580 11.359 1.00 0.00 H new ATOM 1128 N GLU A 77 2.282 9.566 9.039 1.00 0.00 N ATOM 1129 CA GLU A 77 1.757 9.613 7.679 1.00 0.00 C ATOM 1130 C GLU A 77 2.406 8.542 6.808 1.00 0.00 C ATOM 1131 O GLU A 77 3.622 8.538 6.612 1.00 0.00 O ATOM 1132 CB GLU A 77 1.990 10.995 7.066 1.00 0.00 C ATOM 1133 CG GLU A 77 0.933 11.398 6.051 1.00 0.00 C ATOM 1134 CD GLU A 77 -0.246 12.108 6.688 1.00 0.00 C ATOM 1135 OE1 GLU A 77 -0.022 12.923 7.608 1.00 0.00 O ATOM 1136 OE2 GLU A 77 -1.392 11.849 6.266 1.00 0.00 O ATOM 0 H GLU A 77 2.907 10.336 9.277 1.00 0.00 H new ATOM 0 HA GLU A 77 0.685 9.420 7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.017 11.737 7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.968 11.009 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.383 12.049 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.578 10.509 5.529 1.00 0.00 H new ATOM 1143 N VAL A 78 1.587 7.633 6.288 1.00 0.00 N ATOM 1144 CA VAL A 78 2.080 6.556 5.438 1.00 0.00 C ATOM 1145 C VAL A 78 1.410 6.587 4.069 1.00 0.00 C ATOM 1146 O VAL A 78 0.298 6.087 3.898 1.00 0.00 O ATOM 1147 CB VAL A 78 1.842 5.178 6.083 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.442 4.076 5.223 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.420 5.142 7.490 1.00 0.00 C ATOM 0 H VAL A 78 0.579 7.621 6.441 1.00 0.00 H new ATOM 0 HA VAL A 78 3.152 6.712 5.319 1.00 0.00 H new ATOM 0 HB VAL A 78 0.767 5.008 6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.264 3.109 5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.977 4.090 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.515 4.238 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.243 4.161 7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.492 5.333 7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.939 5.906 8.100 1.00 0.00 H new ATOM 1159 N HIS A 79 2.095 7.177 3.094 1.00 0.00 N ATOM 1160 CA HIS A 79 1.566 7.272 1.738 1.00 0.00 C ATOM 1161 C HIS A 79 1.783 5.967 0.977 1.00 0.00 C ATOM 1162 O HIS A 79 2.920 5.568 0.723 1.00 0.00 O ATOM 1163 CB HIS A 79 2.230 8.428 0.989 1.00 0.00 C ATOM 1164 CG HIS A 79 1.718 9.776 1.395 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.208 10.212 2.570 1.00 0.00 N flip ATOM 1166 CD2 HIS A 79 1.694 10.860 0.542 1.00 0.00 C flip ATOM 1167 CE1 HIS A 79 0.890 11.538 2.408 1.00 0.00 C flip ATOM 1168 NE2 HIS A 79 1.193 11.905 1.176 1.00 0.00 N flip ATOM 0 H HIS A 79 3.017 7.596 3.218 1.00 0.00 H new ATOM 0 HA HIS A 79 0.494 7.459 1.805 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.306 8.390 1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.072 8.295 -0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.032 10.855 -0.484 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.461 12.177 3.166 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.062 12.836 0.781 1.00 0.00 H new ATOM 1176 N ILE A 80 0.687 5.307 0.619 1.00 0.00 N ATOM 1177 CA ILE A 80 0.758 4.048 -0.112 1.00 0.00 C ATOM 1178 C ILE A 80 0.071 4.160 -1.468 1.00 0.00 C ATOM 1179 O ILE A 80 -1.145 4.336 -1.548 1.00 0.00 O ATOM 1180 CB ILE A 80 0.114 2.898 0.684 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.939 2.590 1.935 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.017 1.658 -0.189 1.00 0.00 C ATOM 1183 CD1 ILE A 80 0.212 1.724 2.940 1.00 0.00 C ATOM 0 H ILE A 80 -0.261 5.623 0.823 1.00 0.00 H new ATOM 0 HA ILE A 80 1.815 3.829 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.884 3.206 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.862 2.092 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.223 3.527 2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.474 0.854 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.642 1.885 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.971 1.346 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.857 1.546 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.697 2.230 3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.048 0.771 2.479 1.00 0.00 H new ATOM 1195 N LYS A 81 0.857 4.056 -2.535 1.00 0.00 N ATOM 1196 CA LYS A 81 0.325 4.142 -3.890 1.00 0.00 C ATOM 1197 C LYS A 81 -0.143 2.775 -4.378 1.00 0.00 C ATOM 1198 O LYS A 81 0.669 1.909 -4.705 1.00 0.00 O ATOM 1199 CB LYS A 81 1.385 4.701 -4.841 1.00 0.00 C ATOM 1200 CG LYS A 81 0.823 5.160 -6.176 1.00 0.00 C ATOM 1201 CD LYS A 81 1.735 6.174 -6.845 1.00 0.00 C ATOM 1202 CE LYS A 81 1.461 7.585 -6.347 1.00 0.00 C ATOM 1203 NZ LYS A 81 1.913 8.615 -7.323 1.00 0.00 N ATOM 0 H LYS A 81 1.866 3.912 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.532 4.815 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.887 5.540 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.142 3.937 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.691 4.299 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.163 5.600 -6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.775 5.914 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.594 6.135 -7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.393 7.704 -6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.969 7.739 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.709 9.563 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.936 8.518 -7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.410 8.484 -8.224 1.00 0.00 H new ATOM 1217 N THR A 82 -1.458 2.588 -4.428 1.00 0.00 N ATOM 1218 CA THR A 82 -2.034 1.326 -4.877 1.00 0.00 C ATOM 1219 C THR A 82 -2.433 1.397 -6.347 1.00 0.00 C ATOM 1220 O THR A 82 -2.851 2.445 -6.836 1.00 0.00 O ATOM 1221 CB THR A 82 -3.269 0.942 -4.040 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.090 2.095 -3.821 1.00 0.00 O ATOM 1223 CG2 THR A 82 -2.852 0.349 -2.702 1.00 0.00 C ATOM 0 H THR A 82 -2.144 3.294 -4.163 1.00 0.00 H new ATOM 0 HA THR A 82 -1.266 0.564 -4.747 1.00 0.00 H new ATOM 0 HB THR A 82 -3.836 0.192 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.796 2.822 -4.409 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.740 0.085 -2.128 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.251 -0.544 -2.871 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.265 1.081 -2.147 1.00 0.00 H new ATOM 1231 N MET A 83 -2.301 0.274 -7.045 1.00 0.00 N ATOM 1232 CA MET A 83 -2.649 0.208 -8.459 1.00 0.00 C ATOM 1233 C MET A 83 -3.075 -1.203 -8.850 1.00 0.00 C ATOM 1234 O MET A 83 -2.488 -2.196 -8.419 1.00 0.00 O ATOM 1235 CB MET A 83 -1.465 0.652 -9.320 1.00 0.00 C ATOM 1236 CG MET A 83 -1.863 1.104 -10.716 1.00 0.00 C ATOM 1237 SD MET A 83 -0.490 1.834 -11.628 1.00 0.00 S ATOM 1238 CE MET A 83 -1.356 2.574 -13.009 1.00 0.00 C ATOM 0 H MET A 83 -1.956 -0.603 -6.654 1.00 0.00 H new ATOM 0 HA MET A 83 -3.488 0.883 -8.631 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.947 1.468 -8.817 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.757 -0.173 -9.402 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.251 0.251 -11.273 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.672 1.831 -10.641 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.646 3.111 -13.638 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.841 1.793 -13.595 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.109 3.269 -12.636 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.121 -1.298 -9.684 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.648 -2.584 -10.151 1.00 0.00 C ATOM 1250 C PRO A 84 -3.695 -3.288 -11.110 1.00 0.00 C ATOM 1251 O PRO A 84 -3.433 -2.800 -12.209 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.942 -2.196 -10.871 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.730 -0.785 -11.298 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.869 -0.156 -10.237 1.00 0.00 C ATOM 0 HA PRO A 84 -4.794 -3.287 -9.331 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.129 -2.845 -11.727 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.804 -2.284 -10.210 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.243 -0.741 -12.272 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.680 -0.259 -11.392 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.201 0.597 -10.655 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.469 0.339 -9.474 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.178 -4.437 -10.686 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.256 -5.209 -11.509 1.00 0.00 C ATOM 1264 C ALA A 85 -2.662 -5.165 -12.978 1.00 0.00 C ATOM 1265 O ALA A 85 -1.813 -5.072 -13.864 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.190 -6.648 -11.020 1.00 0.00 C ATOM 0 H ALA A 85 -3.382 -4.853 -9.777 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.266 -4.761 -11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.498 -7.213 -11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.844 -6.666 -9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.181 -7.098 -11.079 1.00 0.00 H new ATOM 1272 N ALA A 86 -3.965 -5.235 -13.229 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.484 -5.202 -14.591 1.00 0.00 C ATOM 1274 C ALA A 86 -3.949 -3.995 -15.354 1.00 0.00 C ATOM 1275 O ALA A 86 -3.156 -4.137 -16.286 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.005 -5.187 -14.576 1.00 0.00 C ATOM 0 H ALA A 86 -4.681 -5.315 -12.507 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.145 -6.102 -15.104 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.379 -5.162 -15.600 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.373 -6.084 -14.077 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.355 -4.304 -14.041 1.00 0.00 H new ATOM 1282 N THR A 87 -4.387 -2.805 -14.952 1.00 0.00 N ATOM 1283 CA THR A 87 -3.953 -1.573 -15.599 1.00 0.00 C ATOM 1284 C THR A 87 -2.433 -1.511 -15.701 1.00 0.00 C ATOM 1285 O THR A 87 -1.878 -1.421 -16.796 1.00 0.00 O ATOM 1286 CB THR A 87 -4.456 -0.332 -14.838 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.870 -0.424 -14.632 1.00 0.00 O ATOM 1288 CG2 THR A 87 -4.131 0.941 -15.604 1.00 0.00 C ATOM 0 H THR A 87 -5.042 -2.669 -14.182 1.00 0.00 H new ATOM 0 HA THR A 87 -4.382 -1.574 -16.601 1.00 0.00 H new ATOM 0 HB THR A 87 -3.951 -0.295 -13.873 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.182 0.368 -14.146 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.496 1.804 -15.047 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.052 1.022 -15.733 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.612 0.910 -16.582 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.766 -1.561 -14.553 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.309 -1.508 -14.514 1.00 0.00 C ATOM 1298 C TYR A 88 0.298 -2.396 -15.596 1.00 0.00 C ATOM 1299 O TYR A 88 1.030 -1.923 -16.465 1.00 0.00 O ATOM 1300 CB TYR A 88 0.200 -1.941 -13.138 1.00 0.00 C ATOM 1301 CG TYR A 88 1.599 -1.455 -12.830 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.944 -0.120 -12.999 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.574 -2.331 -12.370 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.220 0.329 -12.719 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.853 -1.891 -12.086 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.171 -0.560 -12.263 1.00 0.00 C ATOM 1307 OH TYR A 88 5.444 -0.118 -11.983 1.00 0.00 O ATOM 0 H TYR A 88 -2.210 -1.638 -13.638 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.003 -0.479 -14.701 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.482 -1.568 -12.374 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.181 -3.029 -13.079 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.202 0.579 -13.355 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.328 -3.374 -12.232 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.472 1.370 -12.856 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.599 -2.585 -11.728 1.00 0.00 H new ATOM 0 HH TYR A 88 5.409 0.818 -11.694 1.00 0.00 H new ATOM 1317 N ARG A 89 -0.013 -3.687 -15.536 1.00 0.00 N ATOM 1318 CA ARG A 89 0.501 -4.643 -16.509 1.00 0.00 C ATOM 1319 C ARG A 89 0.281 -4.140 -17.933 1.00 0.00 C ATOM 1320 O ARG A 89 1.202 -4.136 -18.751 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.176 -6.003 -16.327 1.00 0.00 C ATOM 1322 CG ARG A 89 0.552 -6.920 -15.359 1.00 0.00 C ATOM 1323 CD ARG A 89 1.810 -7.503 -15.982 1.00 0.00 C ATOM 1324 NE ARG A 89 2.304 -8.660 -15.240 1.00 0.00 N ATOM 1325 CZ ARG A 89 3.190 -9.522 -15.726 1.00 0.00 C ATOM 1326 NH1 ARG A 89 3.676 -9.359 -16.949 1.00 0.00 N ATOM 1327 NH2 ARG A 89 3.591 -10.550 -14.989 1.00 0.00 N ATOM 0 H ARG A 89 -0.619 -4.095 -14.824 1.00 0.00 H new ATOM 0 HA ARG A 89 1.572 -4.753 -16.342 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.194 -5.848 -15.971 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.249 -6.496 -17.296 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.815 -6.365 -14.458 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.112 -7.729 -15.053 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.603 -7.795 -17.012 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.585 -6.737 -16.017 1.00 0.00 H new ATOM 0 HE ARG A 89 1.949 -8.815 -14.296 1.00 0.00 H new ATOM 0 HH11 ARG A 89 3.370 -8.570 -17.519 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.356 -10.022 -17.320 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.219 -10.679 -14.048 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.271 -11.211 -15.363 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.944 -3.717 -18.223 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.286 -3.212 -19.548 1.00 0.00 C ATOM 1343 C LEU A 90 -0.394 -2.035 -19.929 1.00 0.00 C ATOM 1344 O LEU A 90 0.039 -1.915 -21.076 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.755 -2.789 -19.591 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.779 -3.923 -19.645 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.153 -3.422 -19.225 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.833 -4.528 -21.040 1.00 0.00 C ATOM 0 H LEU A 90 -1.718 -3.714 -17.558 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.125 -4.014 -20.268 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.963 -2.180 -18.711 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.903 -2.151 -20.462 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.469 -4.700 -18.946 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.869 -4.243 -19.270 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.104 -3.038 -18.206 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.471 -2.626 -19.898 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.567 -5.333 -21.059 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.118 -3.760 -21.759 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.852 -4.925 -21.303 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.122 -1.168 -18.960 1.00 0.00 N ATOM 1361 CA LEU A 91 0.721 0.000 -19.192 1.00 0.00 C ATOM 1362 C LEU A 91 2.162 -0.416 -19.473 1.00 0.00 C ATOM 1363 O LEU A 91 2.817 0.135 -20.359 1.00 0.00 O ATOM 1364 CB LEU A 91 0.675 0.935 -17.983 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.718 1.342 -17.502 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.712 1.599 -16.003 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -1.204 2.573 -18.253 1.00 0.00 C ATOM 0 H LEU A 91 -0.473 -1.252 -18.006 1.00 0.00 H new ATOM 0 HA LEU A 91 0.337 0.527 -20.066 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.197 0.453 -17.156 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.232 1.840 -18.227 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.405 0.521 -17.707 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.712 1.887 -15.679 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.409 0.692 -15.480 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.011 2.402 -15.774 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.197 2.848 -17.897 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.515 3.400 -18.081 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.249 2.354 -19.320 1.00 0.00 H new ATOM 1379 N THR A 92 2.649 -1.393 -18.715 1.00 0.00 N ATOM 1380 CA THR A 92 4.012 -1.883 -18.883 1.00 0.00 C ATOM 1381 C THR A 92 4.157 -2.669 -20.181 1.00 0.00 C ATOM 1382 O THR A 92 5.221 -2.676 -20.798 1.00 0.00 O ATOM 1383 CB THR A 92 4.436 -2.778 -17.703 1.00 0.00 C ATOM 1384 OG1 THR A 92 3.462 -3.807 -17.494 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.595 -1.958 -16.432 1.00 0.00 C ATOM 0 H THR A 92 2.120 -1.861 -17.979 1.00 0.00 H new ATOM 0 HA THR A 92 4.661 -1.008 -18.917 1.00 0.00 H new ATOM 0 HB THR A 92 5.397 -3.232 -17.947 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.785 -3.765 -18.201 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.895 -2.611 -15.613 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.358 -1.194 -16.585 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.647 -1.480 -16.186 1.00 0.00 H new ATOM 1393 N GLY A 93 3.079 -3.332 -20.590 1.00 0.00 N ATOM 1394 CA GLY A 93 3.108 -4.112 -21.813 1.00 0.00 C ATOM 1395 C GLY A 93 2.579 -3.340 -23.006 1.00 0.00 C ATOM 1396 O GLY A 93 2.861 -2.152 -23.158 1.00 0.00 O ATOM 0 H GLY A 93 2.187 -3.343 -20.096 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.131 -4.429 -22.014 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.515 -5.017 -21.678 1.00 0.00 H new ATOM 1400 N GLN A 94 1.811 -4.017 -23.854 1.00 0.00 N ATOM 1401 CA GLN A 94 1.245 -3.387 -25.040 1.00 0.00 C ATOM 1402 C GLN A 94 2.273 -2.495 -25.727 1.00 0.00 C ATOM 1403 O GLN A 94 1.935 -1.441 -26.266 1.00 0.00 O ATOM 1404 CB GLN A 94 0.009 -2.566 -24.667 1.00 0.00 C ATOM 1405 CG GLN A 94 -1.280 -3.371 -24.671 1.00 0.00 C ATOM 1406 CD GLN A 94 -1.748 -3.716 -26.071 1.00 0.00 C ATOM 1407 OE1 GLN A 94 -1.187 -3.243 -27.060 1.00 0.00 O ATOM 1408 NE2 GLN A 94 -2.781 -4.546 -26.163 1.00 0.00 N ATOM 0 H GLN A 94 1.567 -5.001 -23.741 1.00 0.00 H new ATOM 0 HA GLN A 94 0.954 -4.175 -25.734 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.155 -2.135 -23.677 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.089 -1.735 -25.365 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.131 -4.290 -24.105 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.059 -2.805 -24.161 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.216 -4.915 -25.317 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.139 -4.815 -27.079 1.00 0.00 H new TER 1417 GLN A 94