USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 38:sc= 1.09 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -90:sc= -1.67! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.101 USER MOD Single : A 17 THR OG1 : rot 91:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.287 K(o=-0.29,f=-0.81) USER MOD Single : A 30 THR OG1 : rot 82:sc= 0.575 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0237 USER MOD Single : A 36 GLN : amide:sc= -1.82! C(o=-1.8!,f=-7.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.00689 K(o=0.0069,f=-3.1!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 54 SER OG : rot -50:sc= 1.19 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.16 K(o=1.2,f=-0.22) USER MOD Single : A 62 SER OG : rot 45:sc= 1.11 USER MOD Single : A 64 SER OG : rot 7:sc= 0.207 USER MOD Single : A 65 THR OG1 : rot 170:sc= -0.0688 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 72 SER OG : rot -89:sc= 1.26 USER MOD Single : A 81 THR OG1 : rot 111:sc= 1.23 USER MOD Single : A 85 THR OG1 : rot -109:sc= 0.683 USER MOD Single : A 89 THR OG1 : rot 113:sc= 0.542 USER MOD Single : A 90 THR OG1 : rot -48:sc= 0.551 USER MOD Single : A 94 GLN : amide:sc= -6.03! C(o=-6!,f=-8!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.101 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc=-0.00789 USER MOD Single : A 113 ASN : amide:sc= 0.148 X(o=0.15,f=-0.0068) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.420 4.377 16.727 1.00 0.00 N ATOM 2 CA ALA A 1 -16.740 3.791 15.407 1.00 0.00 C ATOM 3 C ALA A 1 -15.569 2.961 14.893 1.00 0.00 C ATOM 4 O ALA A 1 -14.607 3.497 14.342 1.00 0.00 O ATOM 5 CB ALA A 1 -17.093 4.888 14.411 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.228 4.939 17.062 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.222 3.615 17.407 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.584 4.990 16.641 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.603 3.135 15.520 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.326 4.441 13.445 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.959 5.443 14.772 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.247 5.567 14.302 1.00 0.00 H new ATOM 11 N ALA A 2 -15.651 1.653 15.076 1.00 0.00 N ATOM 12 CA ALA A 2 -14.594 0.754 14.635 1.00 0.00 C ATOM 13 C ALA A 2 -14.824 0.302 13.198 1.00 0.00 C ATOM 14 O ALA A 2 -15.876 -0.254 12.877 1.00 0.00 O ATOM 15 CB ALA A 2 -14.511 -0.452 15.555 1.00 0.00 C ATOM 0 H ALA A 2 -16.439 1.189 15.527 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.650 1.297 14.675 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.717 -1.116 15.214 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.296 -0.121 16.571 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.461 -0.986 15.541 1.00 0.00 H new ATOM 21 N PRO A 3 -13.852 0.549 12.309 1.00 0.00 N ATOM 22 CA PRO A 3 -13.949 0.151 10.907 1.00 0.00 C ATOM 23 C PRO A 3 -13.614 -1.326 10.719 1.00 0.00 C ATOM 24 O PRO A 3 -13.240 -2.010 11.674 1.00 0.00 O ATOM 25 CB PRO A 3 -12.907 1.037 10.224 1.00 0.00 C ATOM 26 CG PRO A 3 -11.869 1.275 11.268 1.00 0.00 C ATOM 27 CD PRO A 3 -12.578 1.239 12.598 1.00 0.00 C ATOM 0 HA PRO A 3 -14.954 0.271 10.502 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.483 0.546 9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.347 1.974 9.882 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.092 0.512 11.223 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.380 2.237 11.116 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.995 0.702 13.346 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.748 2.243 12.986 1.00 0.00 H new ATOM 35 N THR A 4 -13.745 -1.821 9.500 1.00 0.00 N ATOM 36 CA THR A 4 -13.448 -3.216 9.218 1.00 0.00 C ATOM 37 C THR A 4 -12.372 -3.335 8.142 1.00 0.00 C ATOM 38 O THR A 4 -12.657 -3.264 6.944 1.00 0.00 O ATOM 39 CB THR A 4 -14.715 -3.969 8.771 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.869 -3.399 9.409 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.617 -5.446 9.122 1.00 0.00 C ATOM 0 H THR A 4 -14.054 -1.280 8.692 1.00 0.00 H new ATOM 0 HA THR A 4 -13.078 -3.667 10.139 1.00 0.00 H new ATOM 0 HB THR A 4 -14.809 -3.874 7.689 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.673 -3.880 9.121 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.523 -5.958 8.797 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.753 -5.883 8.620 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.505 -5.557 10.200 1.00 0.00 H new ATOM 49 N ALA A 5 -11.133 -3.500 8.576 1.00 0.00 N ATOM 50 CA ALA A 5 -10.014 -3.620 7.657 1.00 0.00 C ATOM 51 C ALA A 5 -9.758 -5.077 7.294 1.00 0.00 C ATOM 52 O ALA A 5 -8.822 -5.696 7.797 1.00 0.00 O ATOM 53 CB ALA A 5 -8.765 -2.993 8.257 1.00 0.00 C ATOM 0 H ALA A 5 -10.877 -3.554 9.562 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.268 -3.085 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.936 -3.091 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.948 -1.937 8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.515 -3.501 9.189 1.00 0.00 H new ATOM 59 N THR A 6 -10.604 -5.618 6.432 1.00 0.00 N ATOM 60 CA THR A 6 -10.472 -6.996 5.985 1.00 0.00 C ATOM 61 C THR A 6 -9.362 -7.116 4.939 1.00 0.00 C ATOM 62 O THR A 6 -9.592 -6.947 3.740 1.00 0.00 O ATOM 63 CB THR A 6 -11.801 -7.512 5.400 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.547 -6.420 4.835 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.635 -8.193 6.472 1.00 0.00 C ATOM 0 H THR A 6 -11.395 -5.119 6.025 1.00 0.00 H new ATOM 0 HA THR A 6 -10.212 -7.607 6.850 1.00 0.00 H new ATOM 0 HB THR A 6 -11.570 -8.239 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.932 -5.798 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.568 -8.549 6.036 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.081 -9.037 6.882 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.855 -7.482 7.268 1.00 0.00 H new ATOM 73 N VAL A 7 -8.153 -7.394 5.397 1.00 0.00 N ATOM 74 CA VAL A 7 -7.015 -7.510 4.496 1.00 0.00 C ATOM 75 C VAL A 7 -6.495 -8.939 4.432 1.00 0.00 C ATOM 76 O VAL A 7 -6.685 -9.723 5.358 1.00 0.00 O ATOM 77 CB VAL A 7 -5.862 -6.572 4.909 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.169 -5.134 4.517 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.593 -6.679 6.401 1.00 0.00 C ATOM 0 H VAL A 7 -7.933 -7.543 6.382 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.374 -7.217 3.510 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.963 -6.882 4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.342 -4.490 4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.303 -5.072 3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.082 -4.808 5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.776 -6.010 6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.490 -6.399 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.319 -7.705 6.649 1.00 0.00 H new ATOM 89 N THR A 8 -5.865 -9.276 3.317 1.00 0.00 N ATOM 90 CA THR A 8 -5.303 -10.599 3.120 1.00 0.00 C ATOM 91 C THR A 8 -3.840 -10.482 2.696 1.00 0.00 C ATOM 92 O THR A 8 -3.537 -10.314 1.515 1.00 0.00 O ATOM 93 CB THR A 8 -6.103 -11.382 2.063 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.510 -11.214 2.303 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.751 -12.864 2.101 1.00 0.00 C ATOM 0 H THR A 8 -5.731 -8.643 2.529 1.00 0.00 H new ATOM 0 HA THR A 8 -5.361 -11.145 4.062 1.00 0.00 H new ATOM 0 HB THR A 8 -5.847 -10.993 1.078 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.019 -11.711 1.629 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.330 -13.395 1.345 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.687 -12.991 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.984 -13.268 3.086 1.00 0.00 H new ATOM 103 N PRO A 9 -2.916 -10.538 3.666 1.00 0.00 N ATOM 104 CA PRO A 9 -1.484 -10.417 3.401 1.00 0.00 C ATOM 105 C PRO A 9 -0.868 -11.694 2.845 1.00 0.00 C ATOM 106 O PRO A 9 -1.345 -12.800 3.105 1.00 0.00 O ATOM 107 CB PRO A 9 -0.902 -10.110 4.778 1.00 0.00 C ATOM 108 CG PRO A 9 -1.835 -10.757 5.742 1.00 0.00 C ATOM 109 CD PRO A 9 -3.200 -10.730 5.103 1.00 0.00 C ATOM 0 HA PRO A 9 -1.280 -9.659 2.645 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.108 -10.508 4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.839 -9.035 4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.526 -11.781 5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.841 -10.224 6.693 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.743 -11.658 5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.812 -9.920 5.501 1.00 0.00 H new ATOM 117 N SER A 10 0.190 -11.529 2.065 1.00 0.00 N ATOM 118 CA SER A 10 0.890 -12.655 1.480 1.00 0.00 C ATOM 119 C SER A 10 1.967 -13.155 2.439 1.00 0.00 C ATOM 120 O SER A 10 3.102 -12.675 2.426 1.00 0.00 O ATOM 121 CB SER A 10 1.507 -12.245 0.141 1.00 0.00 C ATOM 122 OG SER A 10 0.663 -11.338 -0.550 1.00 0.00 O ATOM 0 H SER A 10 0.582 -10.619 1.823 1.00 0.00 H new ATOM 0 HA SER A 10 0.183 -13.465 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.480 -11.785 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.675 -13.130 -0.472 1.00 0.00 H new ATOM 0 HG SER A 10 0.045 -11.838 -1.123 1.00 0.00 H new ATOM 128 N SER A 11 1.600 -14.102 3.285 1.00 0.00 N ATOM 129 CA SER A 11 2.528 -14.651 4.255 1.00 0.00 C ATOM 130 C SER A 11 3.196 -15.913 3.722 1.00 0.00 C ATOM 131 O SER A 11 2.654 -17.013 3.831 1.00 0.00 O ATOM 132 CB SER A 11 1.801 -14.944 5.564 1.00 0.00 C ATOM 133 OG SER A 11 1.139 -13.785 6.042 1.00 0.00 O ATOM 0 H SER A 11 0.664 -14.506 3.319 1.00 0.00 H new ATOM 0 HA SER A 11 3.308 -13.913 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.078 -15.745 5.412 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.514 -15.295 6.310 1.00 0.00 H new ATOM 0 HG SER A 11 0.678 -13.994 6.881 1.00 0.00 H new ATOM 139 N GLY A 12 4.364 -15.740 3.116 1.00 0.00 N ATOM 140 CA GLY A 12 5.098 -16.867 2.585 1.00 0.00 C ATOM 141 C GLY A 12 4.674 -17.232 1.181 1.00 0.00 C ATOM 142 O GLY A 12 4.300 -18.376 0.916 1.00 0.00 O ATOM 0 H GLY A 12 4.815 -14.835 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.163 -16.636 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.956 -17.728 3.238 1.00 0.00 H new ATOM 146 N LEU A 13 4.727 -16.263 0.280 1.00 0.00 N ATOM 147 CA LEU A 13 4.356 -16.493 -1.107 1.00 0.00 C ATOM 148 C LEU A 13 5.466 -16.018 -2.039 1.00 0.00 C ATOM 149 O LEU A 13 6.526 -15.581 -1.587 1.00 0.00 O ATOM 150 CB LEU A 13 3.031 -15.795 -1.440 1.00 0.00 C ATOM 151 CG LEU A 13 1.770 -16.537 -0.973 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.524 -15.716 -1.259 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.658 -17.895 -1.654 1.00 0.00 C ATOM 0 H LEU A 13 5.024 -15.309 0.485 1.00 0.00 H new ATOM 0 HA LEU A 13 4.218 -17.564 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.038 -14.802 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.973 -15.655 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 13 1.853 -16.688 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.357 -16.261 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.587 -14.764 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.447 -15.533 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.758 -18.402 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.605 -17.757 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.532 -18.499 -1.408 1.00 0.00 H new ATOM 165 N SER A 14 5.233 -16.119 -3.332 1.00 0.00 N ATOM 166 CA SER A 14 6.212 -15.710 -4.324 1.00 0.00 C ATOM 167 C SER A 14 6.009 -14.250 -4.716 1.00 0.00 C ATOM 168 O SER A 14 5.011 -13.635 -4.341 1.00 0.00 O ATOM 169 CB SER A 14 6.081 -16.605 -5.556 1.00 0.00 C ATOM 170 OG SER A 14 4.847 -17.311 -5.537 1.00 0.00 O ATOM 0 H SER A 14 4.366 -16.484 -3.725 1.00 0.00 H new ATOM 0 HA SER A 14 7.211 -15.811 -3.899 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.145 -15.999 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.910 -17.312 -5.587 1.00 0.00 H new ATOM 0 HG SER A 14 4.782 -17.877 -6.335 1.00 0.00 H new ATOM 176 N ASP A 15 6.959 -13.692 -5.456 1.00 0.00 N ATOM 177 CA ASP A 15 6.837 -12.315 -5.911 1.00 0.00 C ATOM 178 C ASP A 15 5.881 -12.274 -7.092 1.00 0.00 C ATOM 179 O ASP A 15 5.834 -13.205 -7.897 1.00 0.00 O ATOM 180 CB ASP A 15 8.197 -11.707 -6.280 1.00 0.00 C ATOM 181 CG ASP A 15 8.892 -12.418 -7.424 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.654 -13.372 -7.154 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.696 -12.014 -8.588 1.00 0.00 O ATOM 0 H ASP A 15 7.813 -14.166 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 15 6.442 -11.710 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.056 -10.660 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.845 -11.729 -5.403 1.00 0.00 H new ATOM 188 N GLY A 16 5.107 -11.209 -7.179 1.00 0.00 N ATOM 189 CA GLY A 16 4.128 -11.087 -8.236 1.00 0.00 C ATOM 190 C GLY A 16 2.782 -11.593 -7.773 1.00 0.00 C ATOM 191 O GLY A 16 1.913 -11.916 -8.578 1.00 0.00 O ATOM 0 H GLY A 16 5.138 -10.421 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.045 -10.045 -8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.455 -11.652 -9.109 1.00 0.00 H new ATOM 195 N THR A 17 2.629 -11.667 -6.459 1.00 0.00 N ATOM 196 CA THR A 17 1.401 -12.140 -5.843 1.00 0.00 C ATOM 197 C THR A 17 0.370 -11.019 -5.736 1.00 0.00 C ATOM 198 O THR A 17 0.711 -9.868 -5.456 1.00 0.00 O ATOM 199 CB THR A 17 1.688 -12.726 -4.440 1.00 0.00 C ATOM 200 OG1 THR A 17 2.408 -13.959 -4.574 1.00 0.00 O ATOM 201 CG2 THR A 17 0.408 -12.969 -3.648 1.00 0.00 C ATOM 0 H THR A 17 3.353 -11.401 -5.791 1.00 0.00 H new ATOM 0 HA THR A 17 0.992 -12.924 -6.480 1.00 0.00 H new ATOM 0 HB THR A 17 2.284 -11.996 -3.892 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.371 -13.778 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.658 -13.381 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.125 -12.027 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.225 -13.674 -4.187 1.00 0.00 H new ATOM 209 N VAL A 18 -0.886 -11.363 -5.975 1.00 0.00 N ATOM 210 CA VAL A 18 -1.972 -10.402 -5.902 1.00 0.00 C ATOM 211 C VAL A 18 -2.502 -10.287 -4.471 1.00 0.00 C ATOM 212 O VAL A 18 -3.220 -11.164 -3.992 1.00 0.00 O ATOM 213 CB VAL A 18 -3.131 -10.798 -6.843 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.223 -9.742 -6.828 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.617 -11.021 -8.258 1.00 0.00 C ATOM 0 H VAL A 18 -1.178 -12.308 -6.223 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.573 -9.438 -6.217 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.560 -11.733 -6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.029 -10.042 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.613 -9.636 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.812 -8.789 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.447 -11.299 -8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.159 -10.103 -8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.876 -11.820 -8.254 1.00 0.00 H new ATOM 225 N VAL A 19 -2.125 -9.213 -3.792 1.00 0.00 N ATOM 226 CA VAL A 19 -2.563 -8.963 -2.424 1.00 0.00 C ATOM 227 C VAL A 19 -3.948 -8.325 -2.436 1.00 0.00 C ATOM 228 O VAL A 19 -4.188 -7.369 -3.175 1.00 0.00 O ATOM 229 CB VAL A 19 -1.582 -8.026 -1.680 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.967 -7.883 -0.214 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.149 -8.525 -1.809 1.00 0.00 C ATOM 0 H VAL A 19 -1.510 -8.493 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.592 -9.919 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.645 -7.042 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.261 -7.219 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.971 -7.466 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.945 -8.862 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.521 -7.849 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.072 -9.524 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.131 -8.559 -2.862 1.00 0.00 H new ATOM 241 N LYS A 20 -4.858 -8.849 -1.627 1.00 0.00 N ATOM 242 CA LYS A 20 -6.210 -8.316 -1.570 1.00 0.00 C ATOM 243 C LYS A 20 -6.385 -7.374 -0.384 1.00 0.00 C ATOM 244 O LYS A 20 -6.028 -7.702 0.753 1.00 0.00 O ATOM 245 CB LYS A 20 -7.235 -9.447 -1.496 1.00 0.00 C ATOM 246 CG LYS A 20 -8.671 -8.949 -1.506 1.00 0.00 C ATOM 247 CD LYS A 20 -9.668 -10.094 -1.439 1.00 0.00 C ATOM 248 CE LYS A 20 -9.742 -10.847 -2.756 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.963 -11.687 -2.848 1.00 0.00 N ATOM 0 H LYS A 20 -4.685 -9.638 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.377 -7.748 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.085 -10.122 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.064 -10.026 -0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.829 -8.280 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.847 -8.367 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.382 -10.780 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.654 -9.705 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.728 -10.136 -3.582 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.859 -11.477 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.975 -12.184 -3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.964 -12.383 -2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.806 -11.083 -2.771 1.00 0.00 H new ATOM 263 N VAL A 21 -6.932 -6.198 -0.662 1.00 0.00 N ATOM 264 CA VAL A 21 -7.177 -5.194 0.358 1.00 0.00 C ATOM 265 C VAL A 21 -8.646 -4.780 0.330 1.00 0.00 C ATOM 266 O VAL A 21 -9.157 -4.357 -0.707 1.00 0.00 O ATOM 267 CB VAL A 21 -6.281 -3.950 0.150 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.657 -2.839 1.120 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.814 -4.317 0.309 1.00 0.00 C ATOM 0 H VAL A 21 -7.217 -5.916 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.934 -5.629 1.327 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.441 -3.585 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.012 -1.976 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.696 -2.552 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.532 -3.192 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.199 -3.430 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.644 -4.712 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.546 -5.073 -0.429 1.00 0.00 H new ATOM 279 N ALA A 22 -9.329 -4.933 1.456 1.00 0.00 N ATOM 280 CA ALA A 22 -10.734 -4.569 1.552 1.00 0.00 C ATOM 281 C ALA A 22 -11.001 -3.798 2.836 1.00 0.00 C ATOM 282 O ALA A 22 -10.975 -4.361 3.927 1.00 0.00 O ATOM 283 CB ALA A 22 -11.610 -5.811 1.489 1.00 0.00 C ATOM 0 H ALA A 22 -8.931 -5.308 2.317 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.980 -3.926 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.658 -5.521 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.442 -6.328 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.359 -6.476 2.316 1.00 0.00 H new ATOM 289 N GLY A 23 -11.246 -2.508 2.701 1.00 0.00 N ATOM 290 CA GLY A 23 -11.516 -1.682 3.857 1.00 0.00 C ATOM 291 C GLY A 23 -12.955 -1.215 3.906 1.00 0.00 C ATOM 292 O GLY A 23 -13.408 -0.489 3.024 1.00 0.00 O ATOM 0 H GLY A 23 -11.263 -2.015 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.287 -2.243 4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.855 -0.815 3.844 1.00 0.00 H new ATOM 296 N ALA A 24 -13.679 -1.648 4.921 1.00 0.00 N ATOM 297 CA ALA A 24 -15.065 -1.258 5.086 1.00 0.00 C ATOM 298 C ALA A 24 -15.196 -0.327 6.282 1.00 0.00 C ATOM 299 O ALA A 24 -14.441 -0.443 7.247 1.00 0.00 O ATOM 300 CB ALA A 24 -15.946 -2.484 5.259 1.00 0.00 C ATOM 0 H ALA A 24 -13.327 -2.273 5.646 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.396 -0.730 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.983 -2.172 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.860 -3.121 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.627 -3.039 6.141 1.00 0.00 H new ATOM 306 N GLY A 25 -16.140 0.595 6.215 1.00 0.00 N ATOM 307 CA GLY A 25 -16.326 1.532 7.300 1.00 0.00 C ATOM 308 C GLY A 25 -15.338 2.671 7.215 1.00 0.00 C ATOM 309 O GLY A 25 -14.865 3.176 8.229 1.00 0.00 O ATOM 0 H GLY A 25 -16.781 0.712 5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.342 1.926 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.209 1.016 8.253 1.00 0.00 H new ATOM 313 N LEU A 26 -15.012 3.058 5.991 1.00 0.00 N ATOM 314 CA LEU A 26 -14.075 4.139 5.749 1.00 0.00 C ATOM 315 C LEU A 26 -14.830 5.435 5.490 1.00 0.00 C ATOM 316 O LEU A 26 -16.034 5.520 5.733 1.00 0.00 O ATOM 317 CB LEU A 26 -13.172 3.804 4.555 1.00 0.00 C ATOM 318 CG LEU A 26 -12.330 2.532 4.707 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.499 2.292 3.455 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.428 2.627 5.931 1.00 0.00 C ATOM 0 H LEU A 26 -15.388 2.633 5.144 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.450 4.266 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.795 3.703 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.501 4.645 4.381 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.007 1.688 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.907 1.385 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.160 2.179 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.834 3.140 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.839 1.714 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.759 3.481 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.039 2.754 6.825 1.00 0.00 H new ATOM 332 N GLN A 27 -14.128 6.445 5.009 1.00 0.00 N ATOM 333 CA GLN A 27 -14.756 7.721 4.726 1.00 0.00 C ATOM 334 C GLN A 27 -15.267 7.747 3.289 1.00 0.00 C ATOM 335 O GLN A 27 -14.476 7.783 2.343 1.00 0.00 O ATOM 336 CB GLN A 27 -13.777 8.875 4.965 1.00 0.00 C ATOM 337 CG GLN A 27 -14.474 10.202 5.215 1.00 0.00 C ATOM 338 CD GLN A 27 -15.333 10.172 6.464 1.00 0.00 C ATOM 339 OE1 GLN A 27 -14.990 9.519 7.451 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.458 10.868 6.428 1.00 0.00 N ATOM 0 H GLN A 27 -13.129 6.407 4.807 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.601 7.847 5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.144 8.636 5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.121 8.973 4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.727 10.991 5.309 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.095 10.452 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.705 11.395 5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.078 10.877 7.238 1.00 0.00 H new ATOM 349 N ALA A 28 -16.585 7.715 3.132 1.00 0.00 N ATOM 350 CA ALA A 28 -17.207 7.740 1.813 1.00 0.00 C ATOM 351 C ALA A 28 -16.792 8.986 1.037 1.00 0.00 C ATOM 352 O ALA A 28 -16.732 10.084 1.594 1.00 0.00 O ATOM 353 CB ALA A 28 -18.724 7.687 1.946 1.00 0.00 C ATOM 0 H ALA A 28 -17.247 7.671 3.907 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.867 6.864 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.177 7.706 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.012 6.770 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.069 8.547 2.519 1.00 0.00 H new ATOM 359 N GLY A 29 -16.484 8.807 -0.240 1.00 0.00 N ATOM 360 CA GLY A 29 -16.082 9.925 -1.071 1.00 0.00 C ATOM 361 C GLY A 29 -14.602 10.238 -0.954 1.00 0.00 C ATOM 362 O GLY A 29 -14.160 11.328 -1.317 1.00 0.00 O ATOM 0 H GLY A 29 -16.505 7.905 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.321 9.704 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.659 10.806 -0.791 1.00 0.00 H new ATOM 366 N THR A 30 -13.832 9.290 -0.446 1.00 0.00 N ATOM 367 CA THR A 30 -12.399 9.481 -0.294 1.00 0.00 C ATOM 368 C THR A 30 -11.621 8.428 -1.082 1.00 0.00 C ATOM 369 O THR A 30 -11.991 7.251 -1.100 1.00 0.00 O ATOM 370 CB THR A 30 -11.986 9.420 1.190 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.961 10.108 1.989 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.612 10.045 1.402 1.00 0.00 C ATOM 0 H THR A 30 -14.174 8.382 -0.132 1.00 0.00 H new ATOM 0 HA THR A 30 -12.159 10.469 -0.687 1.00 0.00 H new ATOM 0 HB THR A 30 -11.935 8.374 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.722 9.515 2.159 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.346 9.989 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.872 9.505 0.811 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.635 11.089 1.089 1.00 0.00 H new ATOM 380 N ALA A 31 -10.560 8.865 -1.747 1.00 0.00 N ATOM 381 CA ALA A 31 -9.721 7.976 -2.529 1.00 0.00 C ATOM 382 C ALA A 31 -8.564 7.473 -1.680 1.00 0.00 C ATOM 383 O ALA A 31 -7.769 8.261 -1.164 1.00 0.00 O ATOM 384 CB ALA A 31 -9.212 8.690 -3.773 1.00 0.00 C ATOM 0 H ALA A 31 -10.261 9.840 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.312 7.118 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.584 8.012 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.058 9.008 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.629 9.563 -3.479 1.00 0.00 H new ATOM 390 N TYR A 32 -8.493 6.166 -1.516 1.00 0.00 N ATOM 391 CA TYR A 32 -7.443 5.552 -0.729 1.00 0.00 C ATOM 392 C TYR A 32 -6.372 4.967 -1.635 1.00 0.00 C ATOM 393 O TYR A 32 -6.647 4.087 -2.453 1.00 0.00 O ATOM 394 CB TYR A 32 -8.022 4.464 0.177 1.00 0.00 C ATOM 395 CG TYR A 32 -8.852 5.010 1.320 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.203 5.298 1.155 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.282 5.245 2.566 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.959 5.804 2.197 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.032 5.751 3.612 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.369 6.029 3.424 1.00 0.00 C ATOM 401 OH TYR A 32 -11.119 6.535 4.466 1.00 0.00 O ATOM 0 H TYR A 32 -9.156 5.505 -1.921 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.988 6.320 -0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.639 3.794 -0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.205 3.868 0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.670 5.123 0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.235 5.029 2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.007 6.022 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.572 5.928 4.573 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.552 6.633 5.260 1.00 0.00 H new ATOM 411 N ASP A 33 -5.159 5.472 -1.496 1.00 0.00 N ATOM 412 CA ASP A 33 -4.034 5.005 -2.290 1.00 0.00 C ATOM 413 C ASP A 33 -3.430 3.778 -1.636 1.00 0.00 C ATOM 414 O ASP A 33 -2.945 3.841 -0.504 1.00 0.00 O ATOM 415 CB ASP A 33 -2.969 6.095 -2.425 1.00 0.00 C ATOM 416 CG ASP A 33 -3.045 6.826 -3.747 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.315 6.179 -4.779 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.830 8.059 -3.761 1.00 0.00 O ATOM 0 H ASP A 33 -4.926 6.212 -0.834 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.394 4.753 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.083 6.811 -1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.981 5.647 -2.319 1.00 0.00 H new ATOM 423 N VAL A 34 -3.484 2.657 -2.330 1.00 0.00 N ATOM 424 CA VAL A 34 -2.946 1.420 -1.796 1.00 0.00 C ATOM 425 C VAL A 34 -1.911 0.834 -2.744 1.00 0.00 C ATOM 426 O VAL A 34 -2.166 0.686 -3.941 1.00 0.00 O ATOM 427 CB VAL A 34 -4.053 0.371 -1.542 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.549 -0.730 -0.620 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.302 1.018 -0.960 1.00 0.00 C ATOM 0 H VAL A 34 -3.893 2.577 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.477 1.663 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.317 -0.072 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.343 -1.458 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.693 -1.225 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.249 -0.297 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.062 0.255 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.055 1.499 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.684 1.764 -1.657 1.00 0.00 H new ATOM 439 N GLY A 35 -0.740 0.528 -2.211 1.00 0.00 N ATOM 440 CA GLY A 35 0.311 -0.059 -3.015 1.00 0.00 C ATOM 441 C GLY A 35 1.307 -0.797 -2.152 1.00 0.00 C ATOM 442 O GLY A 35 1.173 -0.812 -0.927 1.00 0.00 O ATOM 0 H GLY A 35 -0.497 0.676 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.123 -0.745 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.822 0.722 -3.578 1.00 0.00 H new ATOM 446 N GLN A 36 2.293 -1.427 -2.770 1.00 0.00 N ATOM 447 CA GLN A 36 3.310 -2.141 -2.017 1.00 0.00 C ATOM 448 C GLN A 36 4.385 -1.152 -1.601 1.00 0.00 C ATOM 449 O GLN A 36 4.966 -0.466 -2.441 1.00 0.00 O ATOM 450 CB GLN A 36 3.914 -3.285 -2.837 1.00 0.00 C ATOM 451 CG GLN A 36 4.543 -2.840 -4.149 1.00 0.00 C ATOM 452 CD GLN A 36 5.523 -3.849 -4.713 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.660 -3.984 -5.926 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.218 -4.564 -3.838 1.00 0.00 N ATOM 0 H GLN A 36 2.410 -1.459 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 36 2.855 -2.589 -1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.670 -3.789 -2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.135 -4.017 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.755 -2.661 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.057 -1.891 -3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.077 -4.424 -2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.894 -5.254 -4.166 1.00 0.00 H new ATOM 463 N CYS A 37 4.633 -1.051 -0.311 1.00 0.00 N ATOM 464 CA CYS A 37 5.620 -0.116 0.185 1.00 0.00 C ATOM 465 C CYS A 37 6.659 -0.822 1.040 1.00 0.00 C ATOM 466 O CYS A 37 6.419 -1.918 1.547 1.00 0.00 O ATOM 467 CB CYS A 37 4.925 0.982 0.989 1.00 0.00 C ATOM 468 SG CYS A 37 3.226 1.335 0.430 1.00 0.00 S ATOM 0 H CYS A 37 4.167 -1.602 0.409 1.00 0.00 H new ATOM 0 HA CYS A 37 6.136 0.331 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.899 0.690 2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.516 1.896 0.926 1.00 0.00 H new ATOM 473 N ALA A 38 7.815 -0.197 1.177 1.00 0.00 N ATOM 474 CA ALA A 38 8.891 -0.749 1.978 1.00 0.00 C ATOM 475 C ALA A 38 9.704 0.370 2.605 1.00 0.00 C ATOM 476 O ALA A 38 9.494 1.546 2.293 1.00 0.00 O ATOM 477 CB ALA A 38 9.775 -1.659 1.142 1.00 0.00 C ATOM 0 H ALA A 38 8.032 0.699 0.740 1.00 0.00 H new ATOM 0 HA ALA A 38 8.456 -1.350 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.575 -2.061 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.178 -2.479 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.207 -1.090 0.318 1.00 0.00 H new ATOM 483 N TRP A 39 10.615 0.003 3.492 1.00 0.00 N ATOM 484 CA TRP A 39 11.464 0.968 4.175 1.00 0.00 C ATOM 485 C TRP A 39 12.422 1.641 3.196 1.00 0.00 C ATOM 486 O TRP A 39 13.319 1.000 2.654 1.00 0.00 O ATOM 487 CB TRP A 39 12.256 0.280 5.291 1.00 0.00 C ATOM 488 CG TRP A 39 11.416 -0.099 6.469 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.534 -1.135 6.549 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.383 0.557 7.741 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.941 -1.155 7.787 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.451 -0.129 8.540 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.043 1.663 8.279 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.165 0.254 9.848 1.00 0.00 C ATOM 495 CZ3 TRP A 39 11.767 2.036 9.580 1.00 0.00 C ATOM 496 CH2 TRP A 39 10.833 1.335 10.352 1.00 0.00 C ATOM 0 H TRP A 39 10.787 -0.967 3.758 1.00 0.00 H new ATOM 0 HA TRP A 39 10.823 1.734 4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.731 -0.615 4.890 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.055 0.944 5.622 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.331 -1.838 5.754 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.236 -1.824 8.096 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.757 2.218 7.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.441 -0.284 10.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.281 2.883 10.009 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.636 1.654 11.365 1.00 0.00 H new ATOM 507 N VAL A 40 12.219 2.932 2.965 1.00 0.00 N ATOM 508 CA VAL A 40 13.072 3.681 2.054 1.00 0.00 C ATOM 509 C VAL A 40 14.045 4.556 2.845 1.00 0.00 C ATOM 510 O VAL A 40 15.178 4.792 2.420 1.00 0.00 O ATOM 511 CB VAL A 40 12.237 4.532 1.062 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.563 5.709 1.753 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.096 5.001 -0.103 1.00 0.00 C ATOM 0 H VAL A 40 11.474 3.480 3.395 1.00 0.00 H new ATOM 0 HA VAL A 40 13.646 2.968 1.462 1.00 0.00 H new ATOM 0 HB VAL A 40 11.446 3.893 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.988 6.279 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.896 5.340 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.322 6.352 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.490 5.596 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.920 5.608 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.495 4.136 -0.632 1.00 0.00 H new ATOM 523 N ASP A 41 13.609 5.002 4.015 1.00 0.00 N ATOM 524 CA ASP A 41 14.433 5.837 4.880 1.00 0.00 C ATOM 525 C ASP A 41 14.152 5.482 6.338 1.00 0.00 C ATOM 526 O ASP A 41 13.368 4.574 6.618 1.00 0.00 O ATOM 527 CB ASP A 41 14.136 7.322 4.632 1.00 0.00 C ATOM 528 CG ASP A 41 15.312 8.225 4.947 1.00 0.00 C ATOM 529 OD1 ASP A 41 15.611 8.429 6.140 1.00 0.00 O ATOM 530 OD2 ASP A 41 15.936 8.750 4.002 1.00 0.00 O ATOM 0 H ASP A 41 12.682 4.798 4.390 1.00 0.00 H new ATOM 0 HA ASP A 41 15.484 5.656 4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.849 7.460 3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.282 7.622 5.240 1.00 0.00 H new ATOM 535 N THR A 42 14.769 6.207 7.256 1.00 0.00 N ATOM 536 CA THR A 42 14.587 5.969 8.678 1.00 0.00 C ATOM 537 C THR A 42 13.172 6.339 9.119 1.00 0.00 C ATOM 538 O THR A 42 12.841 7.516 9.278 1.00 0.00 O ATOM 539 CB THR A 42 15.612 6.774 9.500 1.00 0.00 C ATOM 540 OG1 THR A 42 16.945 6.410 9.108 1.00 0.00 O ATOM 541 CG2 THR A 42 15.429 6.530 10.989 1.00 0.00 C ATOM 0 H THR A 42 15.407 6.973 7.038 1.00 0.00 H new ATOM 0 HA THR A 42 14.743 4.905 8.857 1.00 0.00 H new ATOM 0 HB THR A 42 15.451 7.834 9.304 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.593 6.926 9.632 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.165 7.110 11.546 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.426 6.835 11.287 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.565 5.470 11.203 1.00 0.00 H new ATOM 549 N GLY A 43 12.332 5.327 9.275 1.00 0.00 N ATOM 550 CA GLY A 43 10.966 5.551 9.704 1.00 0.00 C ATOM 551 C GLY A 43 10.070 6.002 8.569 1.00 0.00 C ATOM 552 O GLY A 43 8.871 6.208 8.757 1.00 0.00 O ATOM 0 H GLY A 43 12.573 4.349 9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.568 4.632 10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.955 6.303 10.493 1.00 0.00 H new ATOM 556 N VAL A 44 10.650 6.149 7.387 1.00 0.00 N ATOM 557 CA VAL A 44 9.902 6.582 6.221 1.00 0.00 C ATOM 558 C VAL A 44 9.792 5.454 5.214 1.00 0.00 C ATOM 559 O VAL A 44 10.799 4.904 4.758 1.00 0.00 O ATOM 560 CB VAL A 44 10.549 7.803 5.538 1.00 0.00 C ATOM 561 CG1 VAL A 44 9.644 8.344 4.438 1.00 0.00 C ATOM 562 CG2 VAL A 44 10.876 8.885 6.556 1.00 0.00 C ATOM 0 H VAL A 44 11.639 5.974 7.212 1.00 0.00 H new ATOM 0 HA VAL A 44 8.910 6.870 6.570 1.00 0.00 H new ATOM 0 HB VAL A 44 11.485 7.482 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.118 9.206 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.477 7.569 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.689 8.645 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.332 9.736 6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.960 9.206 7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.571 8.489 7.297 1.00 0.00 H new ATOM 572 N LEU A 45 8.566 5.098 4.889 1.00 0.00 N ATOM 573 CA LEU A 45 8.305 4.040 3.931 1.00 0.00 C ATOM 574 C LEU A 45 7.853 4.650 2.617 1.00 0.00 C ATOM 575 O LEU A 45 7.409 5.794 2.588 1.00 0.00 O ATOM 576 CB LEU A 45 7.240 3.083 4.469 1.00 0.00 C ATOM 577 CG LEU A 45 7.759 1.965 5.384 1.00 0.00 C ATOM 578 CD1 LEU A 45 8.460 2.534 6.606 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.619 1.060 5.810 1.00 0.00 C ATOM 0 H LEU A 45 7.727 5.529 5.277 1.00 0.00 H new ATOM 0 HA LEU A 45 9.220 3.472 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.499 3.664 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.725 2.627 3.623 1.00 0.00 H new ATOM 0 HG LEU A 45 8.485 1.380 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.816 1.718 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.306 3.144 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.761 3.150 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.003 0.272 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.874 1.644 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.160 0.613 4.928 1.00 0.00 H new ATOM 591 N ALA A 46 7.979 3.903 1.532 1.00 0.00 N ATOM 592 CA ALA A 46 7.580 4.403 0.224 1.00 0.00 C ATOM 593 C ALA A 46 7.067 3.275 -0.658 1.00 0.00 C ATOM 594 O ALA A 46 7.559 2.147 -0.579 1.00 0.00 O ATOM 595 CB ALA A 46 8.746 5.111 -0.441 1.00 0.00 C ATOM 0 H ALA A 46 8.352 2.954 1.529 1.00 0.00 H new ATOM 0 HA ALA A 46 6.767 5.116 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.437 5.481 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.065 5.948 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.574 4.413 -0.562 1.00 0.00 H new ATOM 601 N CYS A 47 6.081 3.583 -1.492 1.00 0.00 N ATOM 602 CA CYS A 47 5.487 2.595 -2.389 1.00 0.00 C ATOM 603 C CYS A 47 5.860 2.893 -3.832 1.00 0.00 C ATOM 604 O CYS A 47 6.437 3.940 -4.121 1.00 0.00 O ATOM 605 CB CYS A 47 3.965 2.589 -2.243 1.00 0.00 C ATOM 606 SG CYS A 47 3.379 3.080 -0.593 1.00 0.00 S ATOM 0 H CYS A 47 5.673 4.515 -1.567 1.00 0.00 H new ATOM 0 HA CYS A 47 5.875 1.613 -2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.536 3.263 -2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.593 1.589 -2.467 1.00 0.00 H new ATOM 611 N ASN A 48 5.525 1.982 -4.734 1.00 0.00 N ATOM 612 CA ASN A 48 5.838 2.167 -6.143 1.00 0.00 C ATOM 613 C ASN A 48 4.595 2.555 -6.943 1.00 0.00 C ATOM 614 O ASN A 48 3.493 2.070 -6.684 1.00 0.00 O ATOM 615 CB ASN A 48 6.484 0.903 -6.734 1.00 0.00 C ATOM 616 CG ASN A 48 5.510 -0.243 -6.939 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.565 -0.425 -6.173 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.743 -1.037 -7.973 1.00 0.00 N ATOM 0 H ASN A 48 5.039 1.112 -4.517 1.00 0.00 H new ATOM 0 HA ASN A 48 6.554 2.986 -6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.942 1.154 -7.691 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.286 0.573 -6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.129 -1.831 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.537 -0.855 -8.587 1.00 0.00 H new ATOM 625 N PRO A 49 4.757 3.457 -7.923 1.00 0.00 N ATOM 626 CA PRO A 49 3.662 3.905 -8.771 1.00 0.00 C ATOM 627 C PRO A 49 3.515 3.044 -10.022 1.00 0.00 C ATOM 628 O PRO A 49 2.804 3.403 -10.958 1.00 0.00 O ATOM 629 CB PRO A 49 4.101 5.314 -9.146 1.00 0.00 C ATOM 630 CG PRO A 49 5.590 5.226 -9.232 1.00 0.00 C ATOM 631 CD PRO A 49 6.019 4.145 -8.265 1.00 0.00 C ATOM 0 HA PRO A 49 2.693 3.850 -8.275 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.666 5.627 -10.095 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.788 6.041 -8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.905 4.984 -10.247 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.049 6.180 -8.974 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.736 3.462 -8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.497 4.566 -7.381 1.00 0.00 H new ATOM 639 N ALA A 50 4.199 1.909 -10.031 1.00 0.00 N ATOM 640 CA ALA A 50 4.161 1.006 -11.170 1.00 0.00 C ATOM 641 C ALA A 50 3.155 -0.121 -10.971 1.00 0.00 C ATOM 642 O ALA A 50 2.788 -0.805 -11.927 1.00 0.00 O ATOM 643 CB ALA A 50 5.545 0.432 -11.428 1.00 0.00 C ATOM 0 H ALA A 50 4.788 1.592 -9.261 1.00 0.00 H new ATOM 0 HA ALA A 50 3.839 1.584 -12.037 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.505 -0.243 -12.283 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.242 1.243 -11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.881 -0.116 -10.548 1.00 0.00 H new ATOM 649 N ASP A 51 2.719 -0.325 -9.733 1.00 0.00 N ATOM 650 CA ASP A 51 1.756 -1.385 -9.442 1.00 0.00 C ATOM 651 C ASP A 51 0.839 -1.007 -8.285 1.00 0.00 C ATOM 652 O ASP A 51 0.403 -1.862 -7.514 1.00 0.00 O ATOM 653 CB ASP A 51 2.469 -2.706 -9.136 1.00 0.00 C ATOM 654 CG ASP A 51 1.897 -3.857 -9.939 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.668 -4.079 -9.888 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.672 -4.541 -10.636 1.00 0.00 O ATOM 0 H ASP A 51 3.011 0.221 -8.923 1.00 0.00 H new ATOM 0 HA ASP A 51 1.143 -1.515 -10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.532 -2.604 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.382 -2.927 -8.072 1.00 0.00 H new ATOM 661 N PHE A 52 0.538 0.276 -8.176 1.00 0.00 N ATOM 662 CA PHE A 52 -0.336 0.765 -7.118 1.00 0.00 C ATOM 663 C PHE A 52 -1.738 0.968 -7.671 1.00 0.00 C ATOM 664 O PHE A 52 -1.943 0.910 -8.886 1.00 0.00 O ATOM 665 CB PHE A 52 0.199 2.077 -6.531 1.00 0.00 C ATOM 666 CG PHE A 52 -0.197 3.306 -7.308 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.261 3.510 -8.598 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.033 4.255 -6.741 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.105 4.636 -9.310 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.403 5.384 -7.450 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.937 5.574 -8.736 1.00 0.00 C ATOM 0 H PHE A 52 0.885 0.999 -8.806 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.366 0.026 -6.318 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.160 2.177 -5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.287 2.025 -6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.913 2.780 -9.054 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.399 4.112 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.260 4.782 -10.316 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.056 6.116 -6.998 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.224 6.455 -9.291 1.00 0.00 H new ATOM 681 N SER A 53 -2.703 1.187 -6.799 1.00 0.00 N ATOM 682 CA SER A 53 -4.070 1.403 -7.233 1.00 0.00 C ATOM 683 C SER A 53 -4.816 2.303 -6.257 1.00 0.00 C ATOM 684 O SER A 53 -4.817 2.063 -5.050 1.00 0.00 O ATOM 685 CB SER A 53 -4.803 0.066 -7.393 1.00 0.00 C ATOM 686 OG SER A 53 -4.178 -0.728 -8.388 1.00 0.00 O ATOM 0 H SER A 53 -2.567 1.220 -5.789 1.00 0.00 H new ATOM 0 HA SER A 53 -4.040 1.901 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.808 -0.469 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.844 0.245 -7.663 1.00 0.00 H new ATOM 0 HG SER A 53 -4.657 -1.578 -8.477 1.00 0.00 H new ATOM 692 N SER A 54 -5.421 3.352 -6.786 1.00 0.00 N ATOM 693 CA SER A 54 -6.183 4.282 -5.975 1.00 0.00 C ATOM 694 C SER A 54 -7.640 3.829 -5.915 1.00 0.00 C ATOM 695 O SER A 54 -8.396 3.991 -6.879 1.00 0.00 O ATOM 696 CB SER A 54 -6.078 5.693 -6.557 1.00 0.00 C ATOM 697 OG SER A 54 -4.738 5.993 -6.913 1.00 0.00 O ATOM 0 H SER A 54 -5.398 3.581 -7.780 1.00 0.00 H new ATOM 0 HA SER A 54 -5.778 4.300 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.720 5.778 -7.434 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.437 6.420 -5.828 1.00 0.00 H new ATOM 0 HG SER A 54 -4.145 5.787 -6.160 1.00 0.00 H new ATOM 703 N VAL A 55 -8.030 3.238 -4.796 1.00 0.00 N ATOM 704 CA VAL A 55 -9.389 2.755 -4.632 1.00 0.00 C ATOM 705 C VAL A 55 -10.227 3.766 -3.853 1.00 0.00 C ATOM 706 O VAL A 55 -9.853 4.203 -2.766 1.00 0.00 O ATOM 707 CB VAL A 55 -9.415 1.369 -3.939 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.781 1.418 -2.558 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.835 0.831 -3.865 1.00 0.00 C ATOM 0 H VAL A 55 -7.424 3.082 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.824 2.637 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.819 0.687 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.819 0.427 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.743 1.738 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.327 2.124 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.830 -0.143 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.456 1.521 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.238 0.728 -4.872 1.00 0.00 H new ATOM 719 N THR A 56 -11.350 4.157 -4.426 1.00 0.00 N ATOM 720 CA THR A 56 -12.224 5.121 -3.782 1.00 0.00 C ATOM 721 C THR A 56 -13.314 4.412 -2.983 1.00 0.00 C ATOM 722 O THR A 56 -13.806 3.354 -3.384 1.00 0.00 O ATOM 723 CB THR A 56 -12.864 6.085 -4.810 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.615 7.104 -4.136 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.773 5.339 -5.782 1.00 0.00 C ATOM 0 H THR A 56 -11.678 3.824 -5.333 1.00 0.00 H new ATOM 0 HA THR A 56 -11.611 5.711 -3.101 1.00 0.00 H new ATOM 0 HB THR A 56 -12.056 6.544 -5.379 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.013 7.708 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.206 6.045 -6.490 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.192 4.592 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.571 4.845 -5.228 1.00 0.00 H new ATOM 733 N ALA A 57 -13.660 4.985 -1.837 1.00 0.00 N ATOM 734 CA ALA A 57 -14.698 4.426 -0.984 1.00 0.00 C ATOM 735 C ALA A 57 -16.058 4.612 -1.638 1.00 0.00 C ATOM 736 O ALA A 57 -16.415 5.726 -2.035 1.00 0.00 O ATOM 737 CB ALA A 57 -14.663 5.078 0.392 1.00 0.00 C ATOM 0 H ALA A 57 -13.235 5.839 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.517 3.359 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.445 4.649 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.691 4.902 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.827 6.151 0.291 1.00 0.00 H new ATOM 743 N ASP A 58 -16.807 3.526 -1.751 1.00 0.00 N ATOM 744 CA ASP A 58 -18.123 3.556 -2.377 1.00 0.00 C ATOM 745 C ASP A 58 -19.144 4.274 -1.496 1.00 0.00 C ATOM 746 O ASP A 58 -18.804 4.805 -0.437 1.00 0.00 O ATOM 747 CB ASP A 58 -18.588 2.126 -2.696 1.00 0.00 C ATOM 748 CG ASP A 58 -19.201 1.409 -1.507 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.657 1.512 -0.388 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.237 0.741 -1.688 1.00 0.00 O ATOM 0 H ASP A 58 -16.524 2.605 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.044 4.117 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.318 2.162 -3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.738 1.549 -3.060 1.00 0.00 H new ATOM 755 N ALA A 59 -20.397 4.284 -1.940 1.00 0.00 N ATOM 756 CA ALA A 59 -21.480 4.942 -1.212 1.00 0.00 C ATOM 757 C ALA A 59 -21.699 4.327 0.166 1.00 0.00 C ATOM 758 O ALA A 59 -22.195 4.992 1.076 1.00 0.00 O ATOM 759 CB ALA A 59 -22.765 4.884 -2.021 1.00 0.00 C ATOM 0 H ALA A 59 -20.691 3.839 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.190 5.982 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.565 5.377 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.617 5.390 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.036 3.843 -2.200 1.00 0.00 H new ATOM 765 N ASN A 60 -21.336 3.059 0.319 1.00 0.00 N ATOM 766 CA ASN A 60 -21.496 2.376 1.595 1.00 0.00 C ATOM 767 C ASN A 60 -20.326 2.697 2.517 1.00 0.00 C ATOM 768 O ASN A 60 -20.409 2.509 3.732 1.00 0.00 O ATOM 769 CB ASN A 60 -21.608 0.860 1.400 1.00 0.00 C ATOM 770 CG ASN A 60 -22.829 0.451 0.594 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.939 0.348 1.127 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.636 0.204 -0.693 1.00 0.00 N ATOM 0 H ASN A 60 -20.931 2.486 -0.421 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.419 2.731 2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.711 0.497 0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.646 0.376 2.376 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.419 -0.082 -1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.704 0.300 -1.097 1.00 0.00 H new ATOM 779 N GLY A 61 -19.243 3.191 1.934 1.00 0.00 N ATOM 780 CA GLY A 61 -18.073 3.536 2.712 1.00 0.00 C ATOM 781 C GLY A 61 -17.056 2.416 2.746 1.00 0.00 C ATOM 782 O GLY A 61 -16.307 2.276 3.711 1.00 0.00 O ATOM 0 H GLY A 61 -19.155 3.359 0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.612 4.430 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.375 3.780 3.730 1.00 0.00 H new ATOM 786 N SER A 62 -17.031 1.617 1.692 1.00 0.00 N ATOM 787 CA SER A 62 -16.102 0.503 1.598 1.00 0.00 C ATOM 788 C SER A 62 -15.242 0.616 0.343 1.00 0.00 C ATOM 789 O SER A 62 -15.679 1.167 -0.667 1.00 0.00 O ATOM 790 CB SER A 62 -16.872 -0.818 1.597 1.00 0.00 C ATOM 791 OG SER A 62 -18.223 -0.632 1.186 1.00 0.00 O ATOM 0 H SER A 62 -17.647 1.720 0.886 1.00 0.00 H new ATOM 0 HA SER A 62 -15.441 0.530 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.381 -1.526 0.929 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.851 -1.254 2.596 1.00 0.00 H new ATOM 0 HG SER A 62 -18.248 -0.055 0.394 1.00 0.00 H new ATOM 797 N ALA A 63 -14.020 0.103 0.419 1.00 0.00 N ATOM 798 CA ALA A 63 -13.101 0.145 -0.706 1.00 0.00 C ATOM 799 C ALA A 63 -12.272 -1.135 -0.785 1.00 0.00 C ATOM 800 O ALA A 63 -11.599 -1.509 0.178 1.00 0.00 O ATOM 801 CB ALA A 63 -12.187 1.357 -0.590 1.00 0.00 C ATOM 0 H ALA A 63 -13.644 -0.348 1.253 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.687 0.226 -1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.502 1.379 -1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.788 2.267 -0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.616 1.294 0.336 1.00 0.00 H new ATOM 807 N SER A 64 -12.326 -1.810 -1.922 1.00 0.00 N ATOM 808 CA SER A 64 -11.573 -3.038 -2.111 1.00 0.00 C ATOM 809 C SER A 64 -10.733 -2.955 -3.384 1.00 0.00 C ATOM 810 O SER A 64 -11.180 -2.410 -4.393 1.00 0.00 O ATOM 811 CB SER A 64 -12.514 -4.248 -2.163 1.00 0.00 C ATOM 812 OG SER A 64 -11.852 -5.423 -1.724 1.00 0.00 O ATOM 0 H SER A 64 -12.884 -1.528 -2.728 1.00 0.00 H new ATOM 0 HA SER A 64 -10.902 -3.166 -1.261 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.387 -4.062 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.876 -4.389 -3.181 1.00 0.00 H new ATOM 0 HG SER A 64 -10.966 -5.189 -1.376 1.00 0.00 H new ATOM 818 N THR A 65 -9.514 -3.481 -3.322 1.00 0.00 N ATOM 819 CA THR A 65 -8.610 -3.462 -4.457 1.00 0.00 C ATOM 820 C THR A 65 -7.588 -4.600 -4.352 1.00 0.00 C ATOM 821 O THR A 65 -7.519 -5.294 -3.333 1.00 0.00 O ATOM 822 CB THR A 65 -7.883 -2.101 -4.558 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.183 -1.990 -5.804 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.909 -1.911 -3.405 1.00 0.00 C ATOM 0 H THR A 65 -9.131 -3.928 -2.489 1.00 0.00 H new ATOM 0 HA THR A 65 -9.202 -3.606 -5.361 1.00 0.00 H new ATOM 0 HB THR A 65 -8.642 -1.320 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.866 -1.070 -5.920 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.413 -0.945 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.452 -1.946 -2.461 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.163 -2.706 -3.424 1.00 0.00 H new ATOM 832 N SER A 66 -6.805 -4.785 -5.409 1.00 0.00 N ATOM 833 CA SER A 66 -5.792 -5.831 -5.451 1.00 0.00 C ATOM 834 C SER A 66 -4.441 -5.248 -5.870 1.00 0.00 C ATOM 835 O SER A 66 -4.359 -4.494 -6.843 1.00 0.00 O ATOM 836 CB SER A 66 -6.223 -6.937 -6.419 1.00 0.00 C ATOM 837 OG SER A 66 -7.512 -7.437 -6.087 1.00 0.00 O ATOM 0 H SER A 66 -6.854 -4.218 -6.255 1.00 0.00 H new ATOM 0 HA SER A 66 -5.685 -6.259 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.232 -6.549 -7.438 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.497 -7.750 -6.393 1.00 0.00 H new ATOM 0 HG SER A 66 -7.763 -8.140 -6.721 1.00 0.00 H new ATOM 843 N LEU A 67 -3.387 -5.588 -5.137 1.00 0.00 N ATOM 844 CA LEU A 67 -2.052 -5.072 -5.436 1.00 0.00 C ATOM 845 C LEU A 67 -1.064 -6.199 -5.704 1.00 0.00 C ATOM 846 O LEU A 67 -0.963 -7.141 -4.924 1.00 0.00 O ATOM 847 CB LEU A 67 -1.527 -4.219 -4.277 1.00 0.00 C ATOM 848 CG LEU A 67 -2.143 -2.822 -4.135 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.269 -2.143 -5.490 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.496 -2.900 -3.449 1.00 0.00 C ATOM 0 H LEU A 67 -3.428 -6.216 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.142 -4.459 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.693 -4.763 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.449 -4.108 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.477 -2.221 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.709 -1.154 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.282 -2.046 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.907 -2.742 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.916 -1.898 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.168 -3.523 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.376 -3.335 -2.457 1.00 0.00 H new ATOM 862 N THR A 68 -0.335 -6.101 -6.801 1.00 0.00 N ATOM 863 CA THR A 68 0.658 -7.111 -7.140 1.00 0.00 C ATOM 864 C THR A 68 2.005 -6.757 -6.510 1.00 0.00 C ATOM 865 O THR A 68 2.689 -5.840 -6.963 1.00 0.00 O ATOM 866 CB THR A 68 0.818 -7.244 -8.666 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.189 -6.466 -9.327 1.00 0.00 O ATOM 868 CG2 THR A 68 0.706 -8.701 -9.093 1.00 0.00 C ATOM 0 H THR A 68 -0.409 -5.336 -7.472 1.00 0.00 H new ATOM 0 HA THR A 68 0.312 -8.067 -6.746 1.00 0.00 H new ATOM 0 HB THR A 68 1.805 -6.876 -8.946 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.088 -5.526 -9.352 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.822 -8.773 -10.174 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.487 -9.284 -8.605 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.271 -9.090 -8.806 1.00 0.00 H new ATOM 876 N VAL A 69 2.379 -7.482 -5.464 1.00 0.00 N ATOM 877 CA VAL A 69 3.632 -7.223 -4.764 1.00 0.00 C ATOM 878 C VAL A 69 4.839 -7.735 -5.551 1.00 0.00 C ATOM 879 O VAL A 69 4.976 -8.932 -5.805 1.00 0.00 O ATOM 880 CB VAL A 69 3.628 -7.837 -3.340 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.269 -9.318 -3.375 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.975 -7.619 -2.661 1.00 0.00 C ATOM 0 H VAL A 69 1.833 -8.254 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 69 3.718 -6.140 -4.673 1.00 0.00 H new ATOM 0 HB VAL A 69 2.861 -7.327 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.275 -9.718 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.276 -9.442 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.999 -9.855 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.954 -8.056 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.760 -8.094 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.175 -6.550 -2.585 1.00 0.00 H new ATOM 892 N ARG A 70 5.701 -6.811 -5.952 1.00 0.00 N ATOM 893 CA ARG A 70 6.909 -7.150 -6.693 1.00 0.00 C ATOM 894 C ARG A 70 8.063 -7.355 -5.720 1.00 0.00 C ATOM 895 O ARG A 70 7.947 -7.017 -4.541 1.00 0.00 O ATOM 896 CB ARG A 70 7.258 -6.045 -7.696 1.00 0.00 C ATOM 897 CG ARG A 70 6.116 -5.688 -8.631 1.00 0.00 C ATOM 898 CD ARG A 70 5.664 -6.889 -9.445 1.00 0.00 C ATOM 899 NE ARG A 70 4.460 -6.610 -10.221 1.00 0.00 N ATOM 900 CZ ARG A 70 3.819 -7.516 -10.954 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.252 -8.771 -10.995 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.739 -7.160 -11.632 1.00 0.00 N ATOM 0 H ARG A 70 5.585 -5.813 -5.775 1.00 0.00 H new ATOM 0 HA ARG A 70 6.733 -8.072 -7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.561 -5.152 -7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.116 -6.362 -8.289 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.277 -5.304 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.431 -4.890 -9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.466 -7.191 -10.119 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.476 -7.729 -8.776 1.00 0.00 H new ATOM 0 HE ARG A 70 4.087 -5.661 -10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.079 -9.043 -10.463 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.758 -9.463 -11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.405 -6.197 -11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.241 -7.848 -12.197 1.00 0.00 H new ATOM 916 N ARG A 71 9.172 -7.894 -6.214 1.00 0.00 N ATOM 917 CA ARG A 71 10.334 -8.154 -5.376 1.00 0.00 C ATOM 918 C ARG A 71 11.151 -6.880 -5.169 1.00 0.00 C ATOM 919 O ARG A 71 11.639 -6.616 -4.071 1.00 0.00 O ATOM 920 CB ARG A 71 11.205 -9.246 -6.008 1.00 0.00 C ATOM 921 CG ARG A 71 12.196 -9.874 -5.043 1.00 0.00 C ATOM 922 CD ARG A 71 11.508 -10.823 -4.077 1.00 0.00 C ATOM 923 NE ARG A 71 11.119 -12.075 -4.718 1.00 0.00 N ATOM 924 CZ ARG A 71 11.123 -13.257 -4.107 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.517 -13.355 -2.845 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.730 -14.338 -4.760 1.00 0.00 N ATOM 0 H ARG A 71 9.290 -8.159 -7.192 1.00 0.00 H new ATOM 0 HA ARG A 71 9.986 -8.497 -4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.559 -10.026 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.751 -8.820 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.959 -10.414 -5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.707 -9.090 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.176 -11.036 -3.242 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.624 -10.339 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 71 10.826 -12.042 -5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.819 -12.522 -2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.519 -14.263 -2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.425 -14.265 -5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.732 -15.245 -4.293 1.00 0.00 H new ATOM 940 N SER A 72 11.294 -6.099 -6.225 1.00 0.00 N ATOM 941 CA SER A 72 12.033 -4.851 -6.164 1.00 0.00 C ATOM 942 C SER A 72 11.230 -3.756 -6.858 1.00 0.00 C ATOM 943 O SER A 72 10.543 -4.026 -7.845 1.00 0.00 O ATOM 944 CB SER A 72 13.404 -5.018 -6.828 1.00 0.00 C ATOM 945 OG SER A 72 13.940 -6.316 -6.586 1.00 0.00 O ATOM 0 H SER A 72 10.904 -6.310 -7.143 1.00 0.00 H new ATOM 0 HA SER A 72 12.191 -4.570 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.313 -4.854 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.090 -4.262 -6.447 1.00 0.00 H new ATOM 0 HG SER A 72 14.458 -6.306 -5.754 1.00 0.00 H new ATOM 951 N PHE A 73 11.308 -2.529 -6.353 1.00 0.00 N ATOM 952 CA PHE A 73 10.554 -1.426 -6.937 1.00 0.00 C ATOM 953 C PHE A 73 11.167 -0.079 -6.566 1.00 0.00 C ATOM 954 O PHE A 73 12.197 -0.014 -5.895 1.00 0.00 O ATOM 955 CB PHE A 73 9.098 -1.482 -6.465 1.00 0.00 C ATOM 956 CG PHE A 73 8.938 -1.457 -4.966 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.916 -2.639 -4.242 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.806 -0.257 -4.283 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.764 -2.624 -2.870 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.655 -0.237 -2.911 1.00 0.00 C ATOM 961 CZ PHE A 73 8.632 -1.422 -2.204 1.00 0.00 C ATOM 0 H PHE A 73 11.880 -2.275 -5.548 1.00 0.00 H new ATOM 0 HA PHE A 73 10.590 -1.528 -8.022 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.556 -0.638 -6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.635 -2.389 -6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.019 -3.583 -4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.822 0.673 -4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.748 -3.552 -2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.555 0.705 -2.392 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.511 -1.409 -1.131 1.00 0.00 H new ATOM 971 N GLU A 74 10.521 0.994 -6.996 1.00 0.00 N ATOM 972 CA GLU A 74 10.991 2.339 -6.706 1.00 0.00 C ATOM 973 C GLU A 74 10.120 2.967 -5.620 1.00 0.00 C ATOM 974 O GLU A 74 8.895 2.936 -5.715 1.00 0.00 O ATOM 975 CB GLU A 74 10.960 3.208 -7.968 1.00 0.00 C ATOM 976 CG GLU A 74 11.859 2.706 -9.092 1.00 0.00 C ATOM 977 CD GLU A 74 11.224 1.593 -9.904 1.00 0.00 C ATOM 978 OE1 GLU A 74 10.184 1.839 -10.555 1.00 0.00 O ATOM 979 OE2 GLU A 74 11.760 0.466 -9.906 1.00 0.00 O ATOM 0 H GLU A 74 9.665 0.958 -7.550 1.00 0.00 H new ATOM 0 HA GLU A 74 12.021 2.279 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.935 3.262 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.258 4.223 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.104 3.537 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.798 2.349 -8.668 1.00 0.00 H new ATOM 986 N GLY A 75 10.751 3.527 -4.598 1.00 0.00 N ATOM 987 CA GLY A 75 10.005 4.142 -3.518 1.00 0.00 C ATOM 988 C GLY A 75 9.641 5.585 -3.807 1.00 0.00 C ATOM 989 O GLY A 75 10.514 6.400 -4.122 1.00 0.00 O ATOM 0 H GLY A 75 11.765 3.567 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.094 3.570 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.595 4.097 -2.602 1.00 0.00 H new ATOM 993 N PHE A 76 8.359 5.912 -3.689 1.00 0.00 N ATOM 994 CA PHE A 76 7.890 7.263 -3.948 1.00 0.00 C ATOM 995 C PHE A 76 7.201 7.838 -2.719 1.00 0.00 C ATOM 996 O PHE A 76 6.531 7.118 -1.976 1.00 0.00 O ATOM 997 CB PHE A 76 6.929 7.273 -5.138 1.00 0.00 C ATOM 998 CG PHE A 76 7.612 7.390 -6.473 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.394 6.356 -6.967 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.464 8.532 -7.238 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.016 6.466 -8.197 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.083 8.647 -8.467 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.859 7.613 -8.948 1.00 0.00 C ATOM 0 H PHE A 76 7.627 5.257 -3.415 1.00 0.00 H new ATOM 0 HA PHE A 76 8.754 7.884 -4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.338 6.357 -5.123 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.233 8.104 -5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.518 5.455 -6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.856 9.345 -6.869 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.624 5.655 -8.570 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.960 9.547 -9.052 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.342 7.701 -9.910 1.00 0.00 H new ATOM 1013 N LEU A 77 7.390 9.132 -2.503 1.00 0.00 N ATOM 1014 CA LEU A 77 6.785 9.817 -1.371 1.00 0.00 C ATOM 1015 C LEU A 77 5.324 10.147 -1.672 1.00 0.00 C ATOM 1016 O LEU A 77 4.865 9.972 -2.803 1.00 0.00 O ATOM 1017 CB LEU A 77 7.565 11.091 -1.032 1.00 0.00 C ATOM 1018 CG LEU A 77 9.051 10.879 -0.722 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.762 12.214 -0.610 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.225 10.069 0.559 1.00 0.00 C ATOM 0 H LEU A 77 7.960 9.730 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 77 6.821 9.155 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.479 11.785 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.095 11.569 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 77 9.497 10.317 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.816 12.047 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.669 12.756 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.312 12.800 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.287 9.930 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.764 10.601 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.748 9.096 0.442 1.00 0.00 H new ATOM 1032 N PHE A 78 4.604 10.641 -0.669 1.00 0.00 N ATOM 1033 CA PHE A 78 3.187 10.974 -0.822 1.00 0.00 C ATOM 1034 C PHE A 78 2.980 12.147 -1.780 1.00 0.00 C ATOM 1035 O PHE A 78 1.909 12.302 -2.371 1.00 0.00 O ATOM 1036 CB PHE A 78 2.568 11.297 0.539 1.00 0.00 C ATOM 1037 CG PHE A 78 1.317 10.511 0.816 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.084 10.969 0.379 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.374 9.309 1.501 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.066 10.243 0.622 1.00 0.00 C ATOM 1041 CE2 PHE A 78 0.227 8.579 1.749 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.994 9.047 1.309 1.00 0.00 C ATOM 0 H PHE A 78 4.978 10.821 0.263 1.00 0.00 H new ATOM 0 HA PHE A 78 2.690 10.103 -1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.299 11.094 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.339 12.362 0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.022 11.904 -0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.327 8.937 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.020 10.610 0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.286 7.644 2.286 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.892 8.479 1.501 1.00 0.00 H new ATOM 1052 N ASP A 79 4.010 12.970 -1.931 1.00 0.00 N ATOM 1053 CA ASP A 79 3.932 14.120 -2.824 1.00 0.00 C ATOM 1054 C ASP A 79 4.132 13.681 -4.276 1.00 0.00 C ATOM 1055 O ASP A 79 3.756 14.392 -5.209 1.00 0.00 O ATOM 1056 CB ASP A 79 4.975 15.174 -2.443 1.00 0.00 C ATOM 1057 CG ASP A 79 6.319 14.919 -3.092 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.021 13.979 -2.668 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.670 15.649 -4.039 1.00 0.00 O ATOM 0 H ASP A 79 4.904 12.864 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 79 2.941 14.563 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.615 16.160 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.095 15.187 -1.360 1.00 0.00 H new ATOM 1064 N GLY A 80 4.721 12.507 -4.460 1.00 0.00 N ATOM 1065 CA GLY A 80 4.942 11.992 -5.796 1.00 0.00 C ATOM 1066 C GLY A 80 6.405 11.966 -6.206 1.00 0.00 C ATOM 1067 O GLY A 80 6.729 11.535 -7.313 1.00 0.00 O ATOM 0 H GLY A 80 5.050 11.902 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.538 10.981 -5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.385 12.602 -6.508 1.00 0.00 H new ATOM 1071 N THR A 81 7.289 12.419 -5.329 1.00 0.00 N ATOM 1072 CA THR A 81 8.717 12.430 -5.627 1.00 0.00 C ATOM 1073 C THR A 81 9.380 11.134 -5.147 1.00 0.00 C ATOM 1074 O THR A 81 9.077 10.638 -4.062 1.00 0.00 O ATOM 1075 CB THR A 81 9.406 13.647 -4.974 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.735 14.851 -5.369 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.870 13.734 -5.373 1.00 0.00 C ATOM 0 H THR A 81 7.046 12.783 -4.408 1.00 0.00 H new ATOM 0 HA THR A 81 8.832 12.504 -6.708 1.00 0.00 H new ATOM 0 HB THR A 81 9.351 13.525 -3.892 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.265 15.232 -4.598 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.326 14.602 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.389 12.830 -5.053 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.947 13.833 -6.456 1.00 0.00 H new ATOM 1085 N ARG A 82 10.267 10.576 -5.969 1.00 0.00 N ATOM 1086 CA ARG A 82 10.966 9.347 -5.611 1.00 0.00 C ATOM 1087 C ARG A 82 12.052 9.641 -4.580 1.00 0.00 C ATOM 1088 O ARG A 82 12.797 10.615 -4.704 1.00 0.00 O ATOM 1089 CB ARG A 82 11.563 8.666 -6.856 1.00 0.00 C ATOM 1090 CG ARG A 82 12.693 9.436 -7.520 1.00 0.00 C ATOM 1091 CD ARG A 82 14.052 8.803 -7.238 1.00 0.00 C ATOM 1092 NE ARG A 82 14.127 7.422 -7.717 1.00 0.00 N ATOM 1093 CZ ARG A 82 15.110 6.571 -7.412 1.00 0.00 C ATOM 1094 NH1 ARG A 82 16.134 6.972 -6.662 1.00 0.00 N ATOM 1095 NH2 ARG A 82 15.075 5.325 -7.869 1.00 0.00 N ATOM 0 H ARG A 82 10.517 10.954 -6.883 1.00 0.00 H new ATOM 0 HA ARG A 82 10.245 8.658 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.931 7.680 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.768 8.512 -7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.525 9.472 -8.596 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.690 10.466 -7.163 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.833 9.395 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.246 8.825 -6.166 1.00 0.00 H new ATOM 0 HE ARG A 82 13.379 7.087 -8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.169 7.932 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.883 6.320 -6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.297 5.018 -8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.826 4.675 -7.636 1.00 0.00 H new ATOM 1109 N TRP A 83 12.128 8.810 -3.556 1.00 0.00 N ATOM 1110 CA TRP A 83 13.126 8.992 -2.515 1.00 0.00 C ATOM 1111 C TRP A 83 14.307 8.058 -2.745 1.00 0.00 C ATOM 1112 O TRP A 83 15.436 8.348 -2.341 1.00 0.00 O ATOM 1113 CB TRP A 83 12.511 8.753 -1.134 1.00 0.00 C ATOM 1114 CG TRP A 83 13.315 9.339 -0.012 1.00 0.00 C ATOM 1115 CD1 TRP A 83 13.911 8.657 1.008 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.608 10.724 0.208 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.561 9.530 1.845 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.389 10.805 1.377 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.291 11.903 -0.471 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.855 12.017 1.883 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.750 13.104 0.034 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.524 13.153 1.197 1.00 0.00 C ATOM 0 H TRP A 83 11.514 8.006 -3.422 1.00 0.00 H new ATOM 0 HA TRP A 83 13.486 10.020 -2.555 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.508 9.179 -1.113 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.405 7.680 -0.973 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.877 7.585 1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.087 9.271 2.680 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.698 11.876 -1.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.454 12.058 2.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.506 14.022 -0.479 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.868 14.109 1.562 1.00 0.00 H new ATOM 1133 N GLY A 84 14.044 6.939 -3.401 1.00 0.00 N ATOM 1134 CA GLY A 84 15.092 5.983 -3.682 1.00 0.00 C ATOM 1135 C GLY A 84 14.539 4.636 -4.091 1.00 0.00 C ATOM 1136 O GLY A 84 13.343 4.380 -3.943 1.00 0.00 O ATOM 0 H GLY A 84 13.120 6.676 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.730 6.369 -4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.720 5.864 -2.799 1.00 0.00 H new ATOM 1140 N THR A 85 15.400 3.792 -4.627 1.00 0.00 N ATOM 1141 CA THR A 85 15.007 2.461 -5.049 1.00 0.00 C ATOM 1142 C THR A 85 14.948 1.531 -3.839 1.00 0.00 C ATOM 1143 O THR A 85 15.771 1.644 -2.929 1.00 0.00 O ATOM 1144 CB THR A 85 16.002 1.910 -6.086 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.380 2.954 -6.998 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.394 0.753 -6.861 1.00 0.00 C ATOM 0 H THR A 85 16.385 4.007 -4.781 1.00 0.00 H new ATOM 0 HA THR A 85 14.020 2.516 -5.509 1.00 0.00 H new ATOM 0 HB THR A 85 16.883 1.547 -5.557 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.981 2.782 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.117 0.382 -7.587 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.129 -0.048 -6.171 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.499 1.094 -7.382 1.00 0.00 H new ATOM 1154 N VAL A 86 13.968 0.635 -3.814 1.00 0.00 N ATOM 1155 CA VAL A 86 13.810 -0.291 -2.697 1.00 0.00 C ATOM 1156 C VAL A 86 13.769 -1.736 -3.189 1.00 0.00 C ATOM 1157 O VAL A 86 13.243 -2.024 -4.265 1.00 0.00 O ATOM 1158 CB VAL A 86 12.530 0.008 -1.883 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.648 -0.567 -0.480 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.252 1.504 -1.823 1.00 0.00 C ATOM 0 H VAL A 86 13.272 0.530 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 86 14.674 -0.154 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 86 11.691 -0.469 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.739 -0.348 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.787 -1.647 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.503 -0.119 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.346 1.683 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.092 2.011 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.119 1.890 -2.834 1.00 0.00 H new ATOM 1170 N ASP A 87 14.326 -2.638 -2.398 1.00 0.00 N ATOM 1171 CA ASP A 87 14.357 -4.051 -2.751 1.00 0.00 C ATOM 1172 C ASP A 87 13.915 -4.913 -1.575 1.00 0.00 C ATOM 1173 O ASP A 87 14.351 -4.700 -0.444 1.00 0.00 O ATOM 1174 CB ASP A 87 15.765 -4.456 -3.194 1.00 0.00 C ATOM 1175 CG ASP A 87 15.895 -5.946 -3.430 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.163 -6.691 -2.462 1.00 0.00 O ATOM 1177 OD2 ASP A 87 15.727 -6.382 -4.585 1.00 0.00 O ATOM 0 H ASP A 87 14.765 -2.418 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 87 13.664 -4.210 -3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.021 -3.923 -4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.484 -4.148 -2.434 1.00 0.00 H new ATOM 1182 N CYS A 88 13.057 -5.885 -1.845 1.00 0.00 N ATOM 1183 CA CYS A 88 12.559 -6.779 -0.808 1.00 0.00 C ATOM 1184 C CYS A 88 12.932 -8.228 -1.101 1.00 0.00 C ATOM 1185 O CYS A 88 12.177 -9.146 -0.791 1.00 0.00 O ATOM 1186 CB CYS A 88 11.039 -6.648 -0.666 1.00 0.00 C ATOM 1187 SG CYS A 88 10.510 -5.308 0.450 1.00 0.00 S ATOM 0 H CYS A 88 12.689 -6.076 -2.777 1.00 0.00 H new ATOM 0 HA CYS A 88 13.029 -6.488 0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.606 -6.478 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.636 -7.592 -0.299 1.00 0.00 H new ATOM 1192 N THR A 89 14.096 -8.439 -1.704 1.00 0.00 N ATOM 1193 CA THR A 89 14.549 -9.787 -2.004 1.00 0.00 C ATOM 1194 C THR A 89 15.184 -10.395 -0.758 1.00 0.00 C ATOM 1195 O THR A 89 15.096 -11.600 -0.512 1.00 0.00 O ATOM 1196 CB THR A 89 15.557 -9.794 -3.171 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.100 -8.923 -4.217 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.730 -11.194 -3.733 1.00 0.00 C ATOM 0 H THR A 89 14.737 -7.699 -1.992 1.00 0.00 H new ATOM 0 HA THR A 89 13.688 -10.382 -2.307 1.00 0.00 H new ATOM 0 HB THR A 89 16.517 -9.446 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.703 -8.154 -4.289 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.446 -11.170 -4.555 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.098 -11.857 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.771 -11.561 -4.098 1.00 0.00 H new ATOM 1206 N THR A 90 15.801 -9.538 0.038 1.00 0.00 N ATOM 1207 CA THR A 90 16.440 -9.955 1.271 1.00 0.00 C ATOM 1208 C THR A 90 15.789 -9.234 2.454 1.00 0.00 C ATOM 1209 O THR A 90 16.367 -9.121 3.533 1.00 0.00 O ATOM 1210 CB THR A 90 17.961 -9.675 1.232 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.608 -10.251 2.372 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.245 -8.180 1.184 1.00 0.00 C ATOM 0 H THR A 90 15.872 -8.538 -0.152 1.00 0.00 H new ATOM 0 HA THR A 90 16.306 -11.030 1.389 1.00 0.00 H new ATOM 0 HB THR A 90 18.357 -10.133 0.325 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.111 -10.017 3.183 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.322 -8.015 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.790 -7.752 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.826 -7.702 2.069 1.00 0.00 H new ATOM 1220 N ALA A 91 14.565 -8.764 2.236 1.00 0.00 N ATOM 1221 CA ALA A 91 13.816 -8.050 3.256 1.00 0.00 C ATOM 1222 C ALA A 91 12.330 -8.358 3.126 1.00 0.00 C ATOM 1223 O ALA A 91 11.917 -9.063 2.202 1.00 0.00 O ATOM 1224 CB ALA A 91 14.066 -6.552 3.138 1.00 0.00 C ATOM 0 H ALA A 91 14.069 -8.868 1.351 1.00 0.00 H new ATOM 0 HA ALA A 91 14.152 -8.379 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.500 -6.027 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.129 -6.349 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.748 -6.206 2.154 1.00 0.00 H new ATOM 1230 N ALA A 92 11.536 -7.828 4.041 1.00 0.00 N ATOM 1231 CA ALA A 92 10.098 -8.045 4.032 1.00 0.00 C ATOM 1232 C ALA A 92 9.360 -6.735 3.773 1.00 0.00 C ATOM 1233 O ALA A 92 9.496 -5.773 4.529 1.00 0.00 O ATOM 1234 CB ALA A 92 9.651 -8.657 5.350 1.00 0.00 C ATOM 0 H ALA A 92 11.866 -7.239 4.806 1.00 0.00 H new ATOM 0 HA ALA A 92 9.856 -8.738 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.573 -8.815 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.155 -9.612 5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.905 -7.983 6.169 1.00 0.00 H new ATOM 1240 N CYS A 93 8.590 -6.712 2.694 1.00 0.00 N ATOM 1241 CA CYS A 93 7.822 -5.531 2.312 1.00 0.00 C ATOM 1242 C CYS A 93 6.527 -5.442 3.118 1.00 0.00 C ATOM 1243 O CYS A 93 6.222 -6.322 3.923 1.00 0.00 O ATOM 1244 CB CYS A 93 7.491 -5.586 0.818 1.00 0.00 C ATOM 1245 SG CYS A 93 8.695 -4.755 -0.271 1.00 0.00 S ATOM 0 H CYS A 93 8.479 -7.504 2.062 1.00 0.00 H new ATOM 0 HA CYS A 93 8.425 -4.648 2.521 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.413 -6.631 0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.511 -5.135 0.662 1.00 0.00 H new ATOM 1250 N GLN A 94 5.767 -4.376 2.906 1.00 0.00 N ATOM 1251 CA GLN A 94 4.503 -4.186 3.604 1.00 0.00 C ATOM 1252 C GLN A 94 3.460 -3.572 2.676 1.00 0.00 C ATOM 1253 O GLN A 94 3.782 -3.093 1.587 1.00 0.00 O ATOM 1254 CB GLN A 94 4.682 -3.309 4.850 1.00 0.00 C ATOM 1255 CG GLN A 94 5.640 -2.136 4.665 1.00 0.00 C ATOM 1256 CD GLN A 94 7.077 -2.469 5.037 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.018 -1.911 4.481 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.260 -3.371 5.985 1.00 0.00 N ATOM 0 H GLN A 94 6.005 -3.628 2.255 1.00 0.00 H new ATOM 0 HA GLN A 94 4.153 -5.167 3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.708 -2.923 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.044 -3.932 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.607 -1.810 3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.299 -1.298 5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.456 -3.816 6.427 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.205 -3.622 6.275 1.00 0.00 H new ATOM 1267 N VAL A 95 2.209 -3.608 3.105 1.00 0.00 N ATOM 1268 CA VAL A 95 1.118 -3.053 2.320 1.00 0.00 C ATOM 1269 C VAL A 95 0.799 -1.641 2.790 1.00 0.00 C ATOM 1270 O VAL A 95 0.485 -1.424 3.961 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.154 -3.922 2.417 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.247 -3.379 1.505 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.156 -5.374 2.082 1.00 0.00 C ATOM 0 H VAL A 95 1.923 -4.017 3.995 1.00 0.00 H new ATOM 0 HA VAL A 95 1.442 -3.034 1.279 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.516 -3.882 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.135 -4.006 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.494 -2.359 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.895 -3.383 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.755 -5.967 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.548 -5.438 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.898 -5.759 2.782 1.00 0.00 H new ATOM 1283 N GLY A 96 0.883 -0.687 1.877 1.00 0.00 N ATOM 1284 CA GLY A 96 0.609 0.688 2.221 1.00 0.00 C ATOM 1285 C GLY A 96 -0.772 1.125 1.799 1.00 0.00 C ATOM 1286 O GLY A 96 -1.053 1.241 0.610 1.00 0.00 O ATOM 0 H GLY A 96 1.137 -0.843 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.714 0.818 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.351 1.332 1.749 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.630 1.348 2.776 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.993 1.782 2.521 1.00 0.00 C ATOM 1292 C LEU A 97 -3.277 3.061 3.296 1.00 0.00 C ATOM 1293 O LEU A 97 -3.263 3.059 4.529 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.993 0.686 2.917 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.408 -0.480 3.725 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.306 -0.124 5.200 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.246 -1.736 3.533 1.00 0.00 C ATOM 0 H LEU A 97 -1.405 1.235 3.764 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.106 1.977 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.794 1.142 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.445 0.286 2.010 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.401 -0.676 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.888 -0.967 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.658 0.744 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.298 0.107 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.816 -2.552 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.265 -1.548 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.257 -2.008 2.478 1.00 0.00 H new ATOM 1309 N SER A 98 -3.486 4.158 2.583 1.00 0.00 N ATOM 1310 CA SER A 98 -3.762 5.439 3.224 1.00 0.00 C ATOM 1311 C SER A 98 -4.601 6.339 2.322 1.00 0.00 C ATOM 1312 O SER A 98 -4.633 6.160 1.105 1.00 0.00 O ATOM 1313 CB SER A 98 -2.447 6.134 3.580 1.00 0.00 C ATOM 1314 OG SER A 98 -1.655 5.320 4.429 1.00 0.00 O ATOM 0 H SER A 98 -3.470 4.189 1.564 1.00 0.00 H new ATOM 0 HA SER A 98 -4.331 5.249 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.894 6.362 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.655 7.084 4.072 1.00 0.00 H new ATOM 0 HG SER A 98 -0.819 5.785 4.641 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.292 7.294 2.929 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.129 8.234 2.187 1.00 0.00 C ATOM 1322 C ASP A 99 -5.281 9.373 1.619 1.00 0.00 C ATOM 1323 O ASP A 99 -4.058 9.268 1.559 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.232 8.798 3.092 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.742 9.916 3.994 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.817 9.679 4.790 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.276 11.043 3.899 1.00 0.00 O ATOM 0 H ASP A 99 -5.291 7.441 3.938 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.595 7.699 1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.049 9.169 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.638 7.994 3.706 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.935 10.453 1.201 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.238 11.610 0.646 1.00 0.00 C ATOM 1334 C ALA A 100 -4.290 12.232 1.671 1.00 0.00 C ATOM 1335 O ALA A 100 -3.207 12.700 1.320 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.244 12.641 0.157 1.00 0.00 C ATOM 0 H ALA A 100 -6.950 10.551 1.236 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.638 11.271 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.714 13.500 -0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.873 12.198 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.867 12.965 0.990 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.699 12.229 2.935 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.883 12.798 4.001 1.00 0.00 C ATOM 1344 C ALA A 101 -2.830 11.800 4.482 1.00 0.00 C ATOM 1345 O ALA A 101 -1.646 12.133 4.594 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.764 13.245 5.159 1.00 0.00 C ATOM 0 H ALA A 101 -5.589 11.840 3.246 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.361 13.668 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.142 13.668 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.469 13.999 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.313 12.388 5.550 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.260 10.580 4.761 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.343 9.559 5.222 1.00 0.00 C ATOM 1354 C GLY A 102 -2.863 8.820 6.440 1.00 0.00 C ATOM 1355 O GLY A 102 -2.112 8.537 7.372 1.00 0.00 O ATOM 0 H GLY A 102 -4.230 10.278 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.164 8.846 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.384 10.018 5.461 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.155 8.528 6.443 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.777 7.821 7.555 1.00 0.00 C ATOM 1361 C ASN A 103 -5.516 6.588 7.057 1.00 0.00 C ATOM 1362 O ASN A 103 -5.503 6.284 5.862 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.752 8.735 8.305 1.00 0.00 C ATOM 1364 CG ASN A 103 -5.084 9.973 8.858 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.470 9.938 9.926 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.204 11.079 8.143 1.00 0.00 N ATOM 0 H ASN A 103 -4.795 8.770 5.687 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.986 7.513 8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.556 9.031 7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.209 8.178 9.123 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.779 11.947 8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.721 11.064 7.264 1.00 0.00 H new ATOM 1373 N GLY A 104 -6.159 5.887 7.979 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.899 4.693 7.632 1.00 0.00 C ATOM 1375 C GLY A 104 -6.432 3.498 8.435 1.00 0.00 C ATOM 1376 O GLY A 104 -5.975 3.659 9.568 1.00 0.00 O ATOM 0 H GLY A 104 -6.181 6.127 8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.962 4.858 7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.781 4.487 6.568 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.536 2.285 7.880 1.00 0.00 N ATOM 1381 CA PRO A 105 -6.101 1.070 8.565 1.00 0.00 C ATOM 1382 C PRO A 105 -4.584 1.024 8.701 1.00 0.00 C ATOM 1383 O PRO A 105 -3.872 1.695 7.953 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.590 -0.067 7.655 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.526 0.568 6.679 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.079 1.994 6.546 1.00 0.00 C ATOM 0 HA PRO A 105 -6.497 1.006 9.579 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.755 -0.544 7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.094 -0.842 8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.492 0.057 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.555 0.513 7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.326 2.112 5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.907 2.656 6.292 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.089 0.246 9.652 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.654 0.133 9.863 1.00 0.00 C ATOM 1396 C GLU A 106 -2.015 -0.721 8.774 1.00 0.00 C ATOM 1397 O GLU A 106 -2.665 -1.594 8.195 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.358 -0.452 11.244 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.260 0.602 12.333 1.00 0.00 C ATOM 1400 CD GLU A 106 -2.056 0.004 13.707 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -3.060 -0.283 14.389 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.890 -0.183 14.113 1.00 0.00 O ATOM 0 H GLU A 106 -4.657 -0.314 10.287 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.222 1.133 9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.142 -1.163 11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.422 -1.010 11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.433 1.275 12.108 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.169 1.203 12.334 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.745 -0.460 8.493 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.037 -1.202 7.471 1.00 0.00 C ATOM 1411 C GLY A 107 0.314 -2.607 7.912 1.00 0.00 C ATOM 1412 O GLY A 107 0.784 -2.818 9.034 1.00 0.00 O ATOM 0 H GLY A 107 -0.190 0.258 8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.650 -1.250 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.876 -0.669 7.207 1.00 0.00 H new ATOM 1416 N VAL A 108 0.084 -3.565 7.025 1.00 0.00 N ATOM 1417 CA VAL A 108 0.373 -4.963 7.307 1.00 0.00 C ATOM 1418 C VAL A 108 1.668 -5.377 6.623 1.00 0.00 C ATOM 1419 O VAL A 108 1.898 -5.039 5.462 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.767 -5.891 6.827 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.585 -7.302 7.374 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.119 -5.330 7.237 1.00 0.00 C ATOM 0 H VAL A 108 -0.305 -3.397 6.097 1.00 0.00 H new ATOM 0 HA VAL A 108 0.469 -5.063 8.388 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.729 -5.941 5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.399 -7.936 7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.366 -7.707 7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.592 -7.273 8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.909 -5.996 6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.164 -5.247 8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.254 -4.344 6.792 1.00 0.00 H new ATOM 1432 N ALA A 109 2.508 -6.100 7.343 1.00 0.00 N ATOM 1433 CA ALA A 109 3.776 -6.554 6.801 1.00 0.00 C ATOM 1434 C ALA A 109 3.621 -7.924 6.156 1.00 0.00 C ATOM 1435 O ALA A 109 2.863 -8.769 6.642 1.00 0.00 O ATOM 1436 CB ALA A 109 4.838 -6.592 7.887 1.00 0.00 C ATOM 0 H ALA A 109 2.334 -6.386 8.307 1.00 0.00 H new ATOM 0 HA ALA A 109 4.095 -5.848 6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.781 -6.935 7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.969 -5.593 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.527 -7.276 8.677 1.00 0.00 H new ATOM 1442 N ILE A 110 4.332 -8.136 5.060 1.00 0.00 N ATOM 1443 CA ILE A 110 4.278 -9.402 4.348 1.00 0.00 C ATOM 1444 C ILE A 110 5.672 -9.998 4.225 1.00 0.00 C ATOM 1445 O ILE A 110 6.667 -9.319 4.472 1.00 0.00 O ATOM 1446 CB ILE A 110 3.663 -9.243 2.940 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.419 -8.180 2.137 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.186 -8.892 3.045 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.905 -7.999 0.726 1.00 0.00 C ATOM 0 H ILE A 110 4.955 -7.445 4.643 1.00 0.00 H new ATOM 0 HA ILE A 110 3.640 -10.071 4.925 1.00 0.00 H new ATOM 0 HB ILE A 110 3.754 -10.193 2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.354 -7.227 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.474 -8.451 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.766 -8.783 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.660 -9.686 3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.073 -7.955 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.490 -7.230 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.996 -8.939 0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.858 -7.697 0.756 1.00 0.00 H new ATOM 1461 N SER A 111 5.748 -11.264 3.857 1.00 0.00 N ATOM 1462 CA SER A 111 7.030 -11.931 3.710 1.00 0.00 C ATOM 1463 C SER A 111 6.965 -12.951 2.584 1.00 0.00 C ATOM 1464 O SER A 111 5.936 -13.600 2.383 1.00 0.00 O ATOM 1465 CB SER A 111 7.424 -12.616 5.022 1.00 0.00 C ATOM 1466 OG SER A 111 7.433 -11.685 6.095 1.00 0.00 O ATOM 0 H SER A 111 4.939 -11.851 3.655 1.00 0.00 H new ATOM 0 HA SER A 111 7.786 -11.185 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.724 -13.423 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.410 -13.069 4.919 1.00 0.00 H new ATOM 0 HG SER A 111 7.686 -12.143 6.924 1.00 0.00 H new ATOM 1472 N PHE A 112 8.054 -13.081 1.844 1.00 0.00 N ATOM 1473 CA PHE A 112 8.108 -14.024 0.740 1.00 0.00 C ATOM 1474 C PHE A 112 8.462 -15.418 1.240 1.00 0.00 C ATOM 1475 O PHE A 112 8.953 -15.582 2.360 1.00 0.00 O ATOM 1476 CB PHE A 112 9.108 -13.556 -0.320 1.00 0.00 C ATOM 1477 CG PHE A 112 8.646 -12.337 -1.071 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.505 -12.382 -1.858 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.345 -11.143 -0.985 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.074 -11.263 -2.546 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.919 -10.021 -1.672 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.783 -10.082 -2.453 1.00 0.00 C ATOM 0 H PHE A 112 8.911 -12.546 1.988 1.00 0.00 H new ATOM 0 HA PHE A 112 7.121 -14.070 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.062 -13.339 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.284 -14.366 -1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.946 -13.303 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.234 -11.088 -0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.184 -11.313 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.475 -9.098 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.449 -9.207 -2.991 1.00 0.00 H new ATOM 1492 N ASN A 113 8.187 -16.414 0.414 1.00 0.00 N ATOM 1493 CA ASN A 113 8.458 -17.801 0.762 1.00 0.00 C ATOM 1494 C ASN A 113 9.953 -18.037 0.943 1.00 0.00 C ATOM 1495 O ASN A 113 10.320 -18.824 1.839 1.00 0.00 O ATOM 1496 CB ASN A 113 7.881 -18.749 -0.300 1.00 0.00 C ATOM 1497 CG ASN A 113 8.731 -18.835 -1.551 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.557 -19.736 -1.696 1.00 0.00 O ATOM 1499 ND2 ASN A 113 8.523 -17.907 -2.471 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.754 -17.412 0.216 1.00 0.00 O ATOM 0 H ASN A 113 7.773 -16.287 -0.510 1.00 0.00 H new ATOM 0 HA ASN A 113 7.968 -18.013 1.712 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.778 -19.745 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.880 -18.413 -0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.057 -17.921 -3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.829 -17.177 -2.311 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.995 6.035 4.105 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.537 7.239 3.672 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.811 7.485 2.314 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.504 6.420 1.318 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.935 5.177 1.850 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.702 5.029 3.183 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.132 3.866 3.962 1.00 20.00 C HETATM 1515 C2' FLN A 114 1.967 4.023 4.722 1.00 20.00 C HETATM 1516 C3' FLN A 114 1.452 2.941 5.439 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.052 1.673 5.439 1.00 20.00 C HETATM 1518 C5' FLN A 114 3.215 1.560 4.665 1.00 20.00 C HETATM 1519 C6' FLN A 114 3.754 2.622 3.940 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.728 6.586 0.111 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.363 8.734 1.936 1.00 20.00 C HETATM 1522 C6 FLN A 114 5.632 9.702 2.919 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.344 9.419 4.271 1.00 20.00 C HETATM 1524 C8 FLN A 114 4.799 8.192 4.651 1.00 20.00 C HETATM 0 H8 FLN A 114 4.582 7.983 5.699 1.00 20.00 H new HETATM 0 H7 FLN A 114 5.551 10.172 5.032 1.00 20.00 H new HETATM 0 H6' FLN A 114 4.663 2.477 3.356 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.060 10.664 2.639 1.00 20.00 H new HETATM 0 H5' FLN A 114 3.722 0.596 4.628 1.00 20.00 H new HETATM 0 H5 FLN A 114 5.578 8.943 0.888 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.642 0.834 6.002 1.00 20.00 H new HETATM 0 H3' FLN A 114 0.544 3.088 6.024 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.695 4.361 1.169 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.462 4.989 4.754 1.00 20.00 H new