USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 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 Set 1.1: A 14 SER OG : rot 102:sc= 0.353 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.67 K(o=1,f=0.39) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0517 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.401 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 106:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0489 K(o=-0.049,f=-0.75) USER MOD Single : A 30 THR OG1 : rot 92:sc= 1.05 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 36 GLN : amide:sc= -1.98! C(o=-2!,f=-6.5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00139 USER MOD Single : A 48 ASN : amide:sc= -3.57! C(o=-3.6!,f=-7.6!) USER MOD Single : A 53 SER OG : rot 162:sc= 1.18 USER MOD Single : A 54 SER OG : rot -90:sc= 0.695 USER MOD Single : A 56 THR OG1 : rot 26:sc= 0.301 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 62 SER OG : rot 101:sc= 0.345 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 170:sc=-0.00359 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 141:sc= 1.24 USER MOD Single : A 72 SER OG : rot -84:sc= 1.22 USER MOD Single : A 81 THR OG1 : rot 95:sc= 1.3 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 115:sc= 0.675 USER MOD Single : A 90 THR OG1 : rot -49:sc= 0.213 USER MOD Single : A 94 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3.5!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0206 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 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.554 4.999 15.607 1.00 0.00 N ATOM 2 CA ALA A 1 -17.782 3.595 15.191 1.00 0.00 C ATOM 3 C ALA A 1 -16.467 2.939 14.789 1.00 0.00 C ATOM 4 O ALA A 1 -15.552 3.612 14.311 1.00 0.00 O ATOM 5 CB ALA A 1 -18.780 3.533 14.043 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.718 5.089 16.630 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.574 5.271 15.388 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.209 5.624 15.095 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.197 3.048 16.038 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.935 2.494 13.751 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.728 3.966 14.362 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.392 4.095 13.193 1.00 0.00 H new ATOM 11 N ALA A 2 -16.379 1.631 14.986 1.00 0.00 N ATOM 12 CA ALA A 2 -15.176 0.884 14.649 1.00 0.00 C ATOM 13 C ALA A 2 -15.263 0.332 13.227 1.00 0.00 C ATOM 14 O ALA A 2 -16.226 -0.359 12.886 1.00 0.00 O ATOM 15 CB ALA A 2 -14.963 -0.237 15.653 1.00 0.00 C ATOM 0 H ALA A 2 -17.130 1.064 15.379 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.321 1.558 14.693 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.061 -0.791 15.394 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.855 0.185 16.652 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.820 -0.910 15.634 1.00 0.00 H new ATOM 21 N PRO A 3 -14.269 0.639 12.372 1.00 0.00 N ATOM 22 CA PRO A 3 -14.245 0.171 10.985 1.00 0.00 C ATOM 23 C PRO A 3 -13.789 -1.280 10.863 1.00 0.00 C ATOM 24 O PRO A 3 -13.163 -1.829 11.773 1.00 0.00 O ATOM 25 CB PRO A 3 -13.234 1.098 10.289 1.00 0.00 C ATOM 26 CG PRO A 3 -12.738 2.051 11.334 1.00 0.00 C ATOM 27 CD PRO A 3 -13.097 1.469 12.674 1.00 0.00 C ATOM 0 HA PRO A 3 -15.242 0.201 10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.410 0.524 9.865 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.704 1.636 9.466 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.660 2.187 11.250 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.194 3.033 11.207 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.280 0.878 13.089 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.330 2.246 13.402 1.00 0.00 H new ATOM 35 N THR A 4 -14.097 -1.893 9.729 1.00 0.00 N ATOM 36 CA THR A 4 -13.723 -3.272 9.477 1.00 0.00 C ATOM 37 C THR A 4 -12.698 -3.349 8.347 1.00 0.00 C ATOM 38 O THR A 4 -13.036 -3.177 7.174 1.00 0.00 O ATOM 39 CB THR A 4 -14.955 -4.125 9.119 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.012 -3.870 10.056 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.617 -5.610 9.128 1.00 0.00 C ATOM 0 H THR A 4 -14.609 -1.451 8.965 1.00 0.00 H new ATOM 0 HA THR A 4 -13.281 -3.668 10.391 1.00 0.00 H new ATOM 0 HB THR A 4 -15.277 -3.850 8.114 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.794 -4.413 9.823 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.506 -6.187 8.872 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.832 -5.809 8.398 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.271 -5.898 10.121 1.00 0.00 H new ATOM 49 N ALA A 5 -11.444 -3.589 8.701 1.00 0.00 N ATOM 50 CA ALA A 5 -10.384 -3.686 7.710 1.00 0.00 C ATOM 51 C ALA A 5 -10.077 -5.142 7.396 1.00 0.00 C ATOM 52 O ALA A 5 -9.490 -5.852 8.214 1.00 0.00 O ATOM 53 CB ALA A 5 -9.131 -2.970 8.191 1.00 0.00 C ATOM 0 H ALA A 5 -11.137 -3.720 9.665 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.727 -3.201 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.351 -3.055 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.357 -1.918 8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.787 -3.424 9.120 1.00 0.00 H new ATOM 59 N THR A 6 -10.488 -5.590 6.222 1.00 0.00 N ATOM 60 CA THR A 6 -10.263 -6.964 5.805 1.00 0.00 C ATOM 61 C THR A 6 -9.149 -7.041 4.761 1.00 0.00 C ATOM 62 O THR A 6 -9.380 -6.838 3.568 1.00 0.00 O ATOM 63 CB THR A 6 -11.554 -7.573 5.224 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.691 -7.090 5.962 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.515 -9.094 5.281 1.00 0.00 C ATOM 0 H THR A 6 -10.982 -5.018 5.537 1.00 0.00 H new ATOM 0 HA THR A 6 -9.963 -7.533 6.685 1.00 0.00 H new ATOM 0 HB THR A 6 -11.636 -7.271 4.180 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.511 -7.477 5.590 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.438 -9.497 4.865 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.666 -9.458 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.413 -9.417 6.317 1.00 0.00 H new ATOM 73 N VAL A 7 -7.936 -7.319 5.215 1.00 0.00 N ATOM 74 CA VAL A 7 -6.795 -7.419 4.316 1.00 0.00 C ATOM 75 C VAL A 7 -6.170 -8.809 4.394 1.00 0.00 C ATOM 76 O VAL A 7 -6.097 -9.409 5.465 1.00 0.00 O ATOM 77 CB VAL A 7 -5.720 -6.343 4.619 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.263 -4.946 4.345 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.221 -6.445 6.054 1.00 0.00 C ATOM 0 H VAL A 7 -7.716 -7.479 6.198 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.168 -7.246 3.307 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.875 -6.526 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.493 -4.207 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.554 -4.868 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.132 -4.763 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.469 -5.677 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.056 -6.303 6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.781 -7.429 6.217 1.00 0.00 H new ATOM 89 N THR A 8 -5.749 -9.331 3.253 1.00 0.00 N ATOM 90 CA THR A 8 -5.129 -10.646 3.207 1.00 0.00 C ATOM 91 C THR A 8 -3.652 -10.532 2.829 1.00 0.00 C ATOM 92 O THR A 8 -3.312 -10.398 1.652 1.00 0.00 O ATOM 93 CB THR A 8 -5.847 -11.568 2.201 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.270 -11.423 2.331 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.463 -13.023 2.428 1.00 0.00 C ATOM 0 H THR A 8 -5.825 -8.866 2.348 1.00 0.00 H new ATOM 0 HA THR A 8 -5.214 -11.082 4.202 1.00 0.00 H new ATOM 0 HB THR A 8 -5.540 -11.278 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.719 -12.010 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.982 -13.653 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.386 -13.139 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.745 -13.320 3.438 1.00 0.00 H new ATOM 103 N PRO A 9 -2.758 -10.546 3.828 1.00 0.00 N ATOM 104 CA PRO A 9 -1.317 -10.442 3.595 1.00 0.00 C ATOM 105 C PRO A 9 -0.728 -11.736 3.033 1.00 0.00 C ATOM 106 O PRO A 9 -1.064 -12.835 3.480 1.00 0.00 O ATOM 107 CB PRO A 9 -0.754 -10.151 4.987 1.00 0.00 C ATOM 108 CG PRO A 9 -1.737 -10.754 5.930 1.00 0.00 C ATOM 109 CD PRO A 9 -3.083 -10.657 5.261 1.00 0.00 C ATOM 0 HA PRO A 9 -1.074 -9.677 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.236 -10.590 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.651 -9.079 5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.484 -11.792 6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.737 -10.224 6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.695 -11.535 5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.642 -9.790 5.612 1.00 0.00 H new ATOM 117 N SER A 10 0.155 -11.598 2.054 1.00 0.00 N ATOM 118 CA SER A 10 0.792 -12.744 1.418 1.00 0.00 C ATOM 119 C SER A 10 1.985 -13.246 2.239 1.00 0.00 C ATOM 120 O SER A 10 3.115 -13.295 1.753 1.00 0.00 O ATOM 121 CB SER A 10 1.242 -12.346 0.014 1.00 0.00 C ATOM 122 OG SER A 10 0.293 -11.475 -0.590 1.00 0.00 O ATOM 0 H SER A 10 0.449 -10.696 1.680 1.00 0.00 H new ATOM 0 HA SER A 10 0.071 -13.560 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.214 -11.855 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.367 -13.238 -0.600 1.00 0.00 H new ATOM 0 HG SER A 10 0.599 -11.230 -1.488 1.00 0.00 H new ATOM 128 N SER A 11 1.720 -13.615 3.483 1.00 0.00 N ATOM 129 CA SER A 11 2.758 -14.105 4.378 1.00 0.00 C ATOM 130 C SER A 11 3.248 -15.488 3.954 1.00 0.00 C ATOM 131 O SER A 11 2.533 -16.479 4.097 1.00 0.00 O ATOM 132 CB SER A 11 2.225 -14.153 5.815 1.00 0.00 C ATOM 133 OG SER A 11 1.685 -12.896 6.194 1.00 0.00 O ATOM 0 H SER A 11 0.789 -13.584 3.898 1.00 0.00 H new ATOM 0 HA SER A 11 3.604 -13.419 4.327 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.458 -14.923 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.029 -14.429 6.497 1.00 0.00 H new ATOM 0 HG SER A 11 1.349 -12.948 7.113 1.00 0.00 H new ATOM 139 N GLY A 12 4.458 -15.544 3.409 1.00 0.00 N ATOM 140 CA GLY A 12 5.027 -16.810 2.994 1.00 0.00 C ATOM 141 C GLY A 12 4.865 -17.080 1.512 1.00 0.00 C ATOM 142 O GLY A 12 5.131 -18.188 1.047 1.00 0.00 O ATOM 0 H GLY A 12 5.055 -14.733 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.087 -16.824 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.555 -17.615 3.557 1.00 0.00 H new ATOM 146 N LEU A 13 4.435 -16.080 0.764 1.00 0.00 N ATOM 147 CA LEU A 13 4.247 -16.242 -0.671 1.00 0.00 C ATOM 148 C LEU A 13 5.291 -15.441 -1.434 1.00 0.00 C ATOM 149 O LEU A 13 5.772 -14.423 -0.944 1.00 0.00 O ATOM 150 CB LEU A 13 2.835 -15.818 -1.079 1.00 0.00 C ATOM 151 CG LEU A 13 1.704 -16.662 -0.477 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.347 -16.172 -0.959 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.888 -18.132 -0.821 1.00 0.00 C ATOM 0 H LEU A 13 4.210 -15.151 1.121 1.00 0.00 H new ATOM 0 HA LEU A 13 4.371 -17.296 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.686 -14.778 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.759 -15.859 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 13 1.743 -16.553 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.439 -16.786 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.207 -15.134 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.299 -16.245 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.075 -18.712 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.881 -18.256 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.840 -18.483 -0.422 1.00 0.00 H new ATOM 165 N SER A 14 5.647 -15.919 -2.618 1.00 0.00 N ATOM 166 CA SER A 14 6.642 -15.256 -3.450 1.00 0.00 C ATOM 167 C SER A 14 6.083 -13.974 -4.070 1.00 0.00 C ATOM 168 O SER A 14 4.914 -13.633 -3.872 1.00 0.00 O ATOM 169 CB SER A 14 7.110 -16.213 -4.549 1.00 0.00 C ATOM 170 OG SER A 14 7.440 -17.489 -4.012 1.00 0.00 O ATOM 0 H SER A 14 5.259 -16.769 -3.026 1.00 0.00 H new ATOM 0 HA SER A 14 7.488 -14.980 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.326 -16.322 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.979 -15.793 -5.056 1.00 0.00 H new ATOM 0 HG SER A 14 6.709 -18.117 -4.188 1.00 0.00 H new ATOM 176 N ASP A 15 6.918 -13.267 -4.821 1.00 0.00 N ATOM 177 CA ASP A 15 6.493 -12.030 -5.463 1.00 0.00 C ATOM 178 C ASP A 15 5.536 -12.332 -6.607 1.00 0.00 C ATOM 179 O ASP A 15 5.535 -13.435 -7.160 1.00 0.00 O ATOM 180 CB ASP A 15 7.694 -11.220 -5.970 1.00 0.00 C ATOM 181 CG ASP A 15 8.338 -11.808 -7.213 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.229 -12.671 -7.074 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.976 -11.391 -8.333 1.00 0.00 O ATOM 0 H ASP A 15 7.888 -13.527 -5.000 1.00 0.00 H new ATOM 0 HA ASP A 15 5.976 -11.426 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.371 -10.201 -6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.441 -11.157 -5.178 1.00 0.00 H new ATOM 188 N GLY A 16 4.723 -11.348 -6.962 1.00 0.00 N ATOM 189 CA GLY A 16 3.752 -11.532 -8.023 1.00 0.00 C ATOM 190 C GLY A 16 2.396 -11.920 -7.475 1.00 0.00 C ATOM 191 O GLY A 16 1.431 -12.076 -8.225 1.00 0.00 O ATOM 0 H GLY A 16 4.718 -10.422 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.662 -10.611 -8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.103 -12.304 -8.708 1.00 0.00 H new ATOM 195 N THR A 17 2.326 -12.070 -6.161 1.00 0.00 N ATOM 196 CA THR A 17 1.091 -12.436 -5.495 1.00 0.00 C ATOM 197 C THR A 17 0.143 -11.242 -5.417 1.00 0.00 C ATOM 198 O THR A 17 0.568 -10.106 -5.194 1.00 0.00 O ATOM 199 CB THR A 17 1.371 -12.971 -4.074 1.00 0.00 C ATOM 200 OG1 THR A 17 2.340 -14.025 -4.138 1.00 0.00 O ATOM 201 CG2 THR A 17 0.100 -13.495 -3.426 1.00 0.00 C ATOM 0 H THR A 17 3.119 -11.942 -5.532 1.00 0.00 H new ATOM 0 HA THR A 17 0.619 -13.224 -6.082 1.00 0.00 H new ATOM 0 HB THR A 17 1.754 -12.148 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.204 -13.695 -3.813 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.327 -13.865 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.632 -12.690 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.308 -14.306 -4.029 1.00 0.00 H new ATOM 209 N VAL A 18 -1.135 -11.506 -5.620 1.00 0.00 N ATOM 210 CA VAL A 18 -2.147 -10.474 -5.568 1.00 0.00 C ATOM 211 C VAL A 18 -2.617 -10.277 -4.131 1.00 0.00 C ATOM 212 O VAL A 18 -3.237 -11.162 -3.542 1.00 0.00 O ATOM 213 CB VAL A 18 -3.352 -10.829 -6.468 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.415 -9.744 -6.405 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.894 -11.061 -7.904 1.00 0.00 C ATOM 0 H VAL A 18 -1.496 -12.438 -5.824 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.705 -9.548 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.797 -11.753 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.252 -10.017 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.765 -9.636 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.991 -8.799 -6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.755 -11.310 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.421 -10.156 -8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.178 -11.883 -7.929 1.00 0.00 H new ATOM 225 N VAL A 19 -2.289 -9.129 -3.565 1.00 0.00 N ATOM 226 CA VAL A 19 -2.677 -8.814 -2.201 1.00 0.00 C ATOM 227 C VAL A 19 -4.101 -8.270 -2.178 1.00 0.00 C ATOM 228 O VAL A 19 -4.434 -7.350 -2.929 1.00 0.00 O ATOM 229 CB VAL A 19 -1.717 -7.785 -1.563 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.111 -7.488 -0.121 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.279 -8.278 -1.638 1.00 0.00 C ATOM 0 H VAL A 19 -1.753 -8.397 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.625 -9.734 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.793 -6.856 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.418 -6.761 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.123 -7.083 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.074 -8.408 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.383 -7.540 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.190 -9.223 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.002 -8.424 -2.681 1.00 0.00 H new ATOM 241 N LYS A 20 -4.933 -8.851 -1.326 1.00 0.00 N ATOM 242 CA LYS A 20 -6.324 -8.438 -1.210 1.00 0.00 C ATOM 243 C LYS A 20 -6.493 -7.367 -0.139 1.00 0.00 C ATOM 244 O LYS A 20 -6.159 -7.581 1.028 1.00 0.00 O ATOM 245 CB LYS A 20 -7.205 -9.641 -0.879 1.00 0.00 C ATOM 246 CG LYS A 20 -8.686 -9.304 -0.787 1.00 0.00 C ATOM 247 CD LYS A 20 -9.531 -10.545 -0.534 1.00 0.00 C ATOM 248 CE LYS A 20 -9.455 -11.526 -1.697 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.292 -12.736 -1.467 1.00 0.00 N ATOM 0 H LYS A 20 -4.667 -9.613 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.630 -8.017 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.062 -10.407 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.879 -10.070 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.846 -8.585 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.009 -8.826 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.193 -11.036 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.568 -10.252 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.781 -11.029 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.418 -11.827 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.210 -13.375 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.966 -13.226 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.286 -12.453 -1.347 1.00 0.00 H new ATOM 263 N VAL A 21 -7.017 -6.220 -0.546 1.00 0.00 N ATOM 264 CA VAL A 21 -7.248 -5.108 0.363 1.00 0.00 C ATOM 265 C VAL A 21 -8.712 -4.675 0.307 1.00 0.00 C ATOM 266 O VAL A 21 -9.161 -4.102 -0.686 1.00 0.00 O ATOM 267 CB VAL A 21 -6.340 -3.902 0.025 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.639 -2.725 0.942 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.870 -4.289 0.120 1.00 0.00 C ATOM 0 H VAL A 21 -7.293 -6.035 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.005 -5.449 1.369 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.551 -3.600 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.988 -1.889 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.680 -2.425 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.463 -3.017 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.250 -3.426 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.647 -4.624 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.660 -5.095 -0.583 1.00 0.00 H new ATOM 279 N ALA A 22 -9.458 -4.986 1.356 1.00 0.00 N ATOM 280 CA ALA A 22 -10.866 -4.621 1.427 1.00 0.00 C ATOM 281 C ALA A 22 -11.180 -3.881 2.723 1.00 0.00 C ATOM 282 O ALA A 22 -11.193 -4.468 3.803 1.00 0.00 O ATOM 283 CB ALA A 22 -11.737 -5.863 1.304 1.00 0.00 C ATOM 0 H ALA A 22 -9.112 -5.491 2.172 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.084 -3.950 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.788 -5.578 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.543 -6.351 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.506 -6.552 2.117 1.00 0.00 H new ATOM 289 N GLY A 23 -11.422 -2.586 2.613 1.00 0.00 N ATOM 290 CA GLY A 23 -11.738 -1.791 3.778 1.00 0.00 C ATOM 291 C GLY A 23 -13.203 -1.411 3.824 1.00 0.00 C ATOM 292 O GLY A 23 -13.733 -0.847 2.862 1.00 0.00 O ATOM 0 H GLY A 23 -11.405 -2.069 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.479 -2.348 4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.129 -0.887 3.777 1.00 0.00 H new ATOM 296 N ALA A 24 -13.858 -1.733 4.928 1.00 0.00 N ATOM 297 CA ALA A 24 -15.270 -1.421 5.104 1.00 0.00 C ATOM 298 C ALA A 24 -15.474 -0.506 6.307 1.00 0.00 C ATOM 299 O ALA A 24 -14.724 -0.569 7.284 1.00 0.00 O ATOM 300 CB ALA A 24 -16.075 -2.702 5.267 1.00 0.00 C ATOM 0 H ALA A 24 -13.432 -2.213 5.721 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.622 -0.898 4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.129 -2.455 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.955 -3.323 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.719 -3.247 6.141 1.00 0.00 H new ATOM 306 N GLY A 25 -16.489 0.340 6.234 1.00 0.00 N ATOM 307 CA GLY A 25 -16.768 1.262 7.316 1.00 0.00 C ATOM 308 C GLY A 25 -15.923 2.513 7.220 1.00 0.00 C ATOM 309 O GLY A 25 -15.573 3.124 8.231 1.00 0.00 O ATOM 0 H GLY A 25 -17.128 0.405 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.823 1.534 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.581 0.770 8.270 1.00 0.00 H new ATOM 313 N LEU A 26 -15.602 2.898 5.993 1.00 0.00 N ATOM 314 CA LEU A 26 -14.784 4.074 5.747 1.00 0.00 C ATOM 315 C LEU A 26 -15.652 5.251 5.320 1.00 0.00 C ATOM 316 O LEU A 26 -16.879 5.132 5.236 1.00 0.00 O ATOM 317 CB LEU A 26 -13.745 3.772 4.668 1.00 0.00 C ATOM 318 CG LEU A 26 -12.789 2.624 4.988 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.035 2.205 3.738 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.818 3.031 6.085 1.00 0.00 C ATOM 0 H LEU A 26 -15.898 2.409 5.149 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.272 4.339 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.266 3.541 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.158 4.673 4.489 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.371 1.774 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.357 1.386 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.744 1.877 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.462 3.051 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.144 2.202 6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.238 3.893 5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.374 3.290 6.986 1.00 0.00 H new ATOM 332 N GLN A 27 -15.010 6.383 5.059 1.00 0.00 N ATOM 333 CA GLN A 27 -15.714 7.585 4.640 1.00 0.00 C ATOM 334 C GLN A 27 -15.968 7.542 3.139 1.00 0.00 C ATOM 335 O GLN A 27 -15.033 7.600 2.337 1.00 0.00 O ATOM 336 CB GLN A 27 -14.905 8.832 5.013 1.00 0.00 C ATOM 337 CG GLN A 27 -15.655 10.138 4.791 1.00 0.00 C ATOM 338 CD GLN A 27 -16.818 10.320 5.749 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.779 9.865 6.893 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.861 10.988 5.289 1.00 0.00 N ATOM 0 H GLN A 27 -13.998 6.492 5.131 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.673 7.631 5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.613 8.765 6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.986 8.847 4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.963 10.973 4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.026 10.169 3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.855 11.349 4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.672 11.143 5.888 1.00 0.00 H new ATOM 349 N ALA A 28 -17.234 7.441 2.769 1.00 0.00 N ATOM 350 CA ALA A 28 -17.623 7.373 1.369 1.00 0.00 C ATOM 351 C ALA A 28 -17.254 8.649 0.618 1.00 0.00 C ATOM 352 O ALA A 28 -17.263 9.745 1.184 1.00 0.00 O ATOM 353 CB ALA A 28 -19.114 7.094 1.252 1.00 0.00 C ATOM 0 H ALA A 28 -18.015 7.404 3.424 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.072 6.553 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.394 7.045 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.345 6.144 1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.673 7.893 1.739 1.00 0.00 H new ATOM 359 N GLY A 29 -16.902 8.492 -0.653 1.00 0.00 N ATOM 360 CA GLY A 29 -16.536 9.631 -1.473 1.00 0.00 C ATOM 361 C GLY A 29 -15.058 9.962 -1.391 1.00 0.00 C ATOM 362 O GLY A 29 -14.540 10.732 -2.199 1.00 0.00 O ATOM 0 H GLY A 29 -16.864 7.592 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.801 9.427 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.116 10.499 -1.161 1.00 0.00 H new ATOM 366 N THR A 30 -14.379 9.378 -0.419 1.00 0.00 N ATOM 367 CA THR A 30 -12.959 9.619 -0.228 1.00 0.00 C ATOM 368 C THR A 30 -12.116 8.715 -1.127 1.00 0.00 C ATOM 369 O THR A 30 -12.509 7.586 -1.438 1.00 0.00 O ATOM 370 CB THR A 30 -12.566 9.383 1.243 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.567 9.939 2.103 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.213 10.003 1.565 1.00 0.00 C ATOM 0 H THR A 30 -14.790 8.730 0.253 1.00 0.00 H new ATOM 0 HA THR A 30 -12.764 10.657 -0.496 1.00 0.00 H new ATOM 0 HB THR A 30 -12.492 8.308 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.236 9.254 2.312 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.967 9.817 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.448 9.558 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.254 11.078 1.387 1.00 0.00 H new ATOM 380 N ALA A 31 -10.974 9.229 -1.566 1.00 0.00 N ATOM 381 CA ALA A 31 -10.059 8.468 -2.402 1.00 0.00 C ATOM 382 C ALA A 31 -9.017 7.785 -1.527 1.00 0.00 C ATOM 383 O ALA A 31 -8.425 8.420 -0.653 1.00 0.00 O ATOM 384 CB ALA A 31 -9.386 9.375 -3.420 1.00 0.00 C ATOM 0 H ALA A 31 -10.660 10.176 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.622 7.709 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.705 8.788 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.144 9.836 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.826 10.153 -2.900 1.00 0.00 H new ATOM 390 N TYR A 32 -8.799 6.499 -1.750 1.00 0.00 N ATOM 391 CA TYR A 32 -7.834 5.754 -0.961 1.00 0.00 C ATOM 392 C TYR A 32 -6.692 5.252 -1.829 1.00 0.00 C ATOM 393 O TYR A 32 -6.911 4.672 -2.896 1.00 0.00 O ATOM 394 CB TYR A 32 -8.516 4.588 -0.240 1.00 0.00 C ATOM 395 CG TYR A 32 -9.396 5.035 0.907 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.721 5.394 0.691 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.897 5.117 2.199 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.524 5.821 1.734 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.693 5.545 3.246 1.00 0.00 C ATOM 400 CZ TYR A 32 -11.004 5.897 3.008 1.00 0.00 C ATOM 401 OH TYR A 32 -11.796 6.331 4.050 1.00 0.00 O ATOM 0 H TYR A 32 -9.275 5.952 -2.468 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.417 6.427 -0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.118 4.028 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.754 3.906 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.131 5.339 -0.307 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.870 4.842 2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.553 6.093 1.551 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.289 5.603 4.246 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.276 6.324 4.881 1.00 0.00 H new ATOM 411 N ASP A 33 -5.478 5.480 -1.363 1.00 0.00 N ATOM 412 CA ASP A 33 -4.289 5.064 -2.086 1.00 0.00 C ATOM 413 C ASP A 33 -3.678 3.849 -1.413 1.00 0.00 C ATOM 414 O ASP A 33 -3.341 3.889 -0.225 1.00 0.00 O ATOM 415 CB ASP A 33 -3.266 6.198 -2.137 1.00 0.00 C ATOM 416 CG ASP A 33 -2.386 6.125 -3.368 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.612 5.159 -3.500 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.469 7.047 -4.210 1.00 0.00 O ATOM 0 H ASP A 33 -5.288 5.955 -0.480 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.574 4.808 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.787 7.155 -2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.642 6.161 -1.244 1.00 0.00 H new ATOM 423 N VAL A 34 -3.558 2.767 -2.162 1.00 0.00 N ATOM 424 CA VAL A 34 -2.998 1.536 -1.637 1.00 0.00 C ATOM 425 C VAL A 34 -1.937 0.989 -2.583 1.00 0.00 C ATOM 426 O VAL A 34 -2.209 0.746 -3.762 1.00 0.00 O ATOM 427 CB VAL A 34 -4.086 0.457 -1.423 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.511 -0.749 -0.700 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.275 1.014 -0.656 1.00 0.00 C ATOM 0 H VAL A 34 -3.843 2.717 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.550 1.774 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.436 0.142 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.293 -1.496 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.702 -1.177 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.125 -0.441 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.021 0.231 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.944 1.370 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.713 1.841 -1.215 1.00 0.00 H new ATOM 439 N GLY A 35 -0.727 0.808 -2.073 1.00 0.00 N ATOM 440 CA GLY A 35 0.341 0.281 -2.889 1.00 0.00 C ATOM 441 C GLY A 35 1.324 -0.526 -2.077 1.00 0.00 C ATOM 442 O GLY A 35 1.237 -0.570 -0.851 1.00 0.00 O ATOM 0 H GLY A 35 -0.469 1.017 -1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.079 -0.344 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.863 1.103 -3.379 1.00 0.00 H new ATOM 446 N GLN A 36 2.243 -1.189 -2.757 1.00 0.00 N ATOM 447 CA GLN A 36 3.257 -1.972 -2.076 1.00 0.00 C ATOM 448 C GLN A 36 4.395 -1.049 -1.663 1.00 0.00 C ATOM 449 O GLN A 36 4.926 -0.299 -2.482 1.00 0.00 O ATOM 450 CB GLN A 36 3.775 -3.106 -2.966 1.00 0.00 C ATOM 451 CG GLN A 36 4.337 -2.634 -4.296 1.00 0.00 C ATOM 452 CD GLN A 36 5.297 -3.628 -4.919 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.381 -3.737 -6.135 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.035 -4.358 -4.092 1.00 0.00 N ATOM 0 H GLN A 36 2.307 -1.201 -3.775 1.00 0.00 H new ATOM 0 HA GLN A 36 2.818 -2.433 -1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.550 -3.652 -2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.962 -3.808 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.514 -2.450 -4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.850 -1.684 -4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.938 -4.240 -3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.699 -5.037 -4.465 1.00 0.00 H new ATOM 463 N CYS A 37 4.744 -1.076 -0.392 1.00 0.00 N ATOM 464 CA CYS A 37 5.800 -0.223 0.114 1.00 0.00 C ATOM 465 C CYS A 37 6.801 -1.019 0.937 1.00 0.00 C ATOM 466 O CYS A 37 6.601 -2.206 1.205 1.00 0.00 O ATOM 467 CB CYS A 37 5.184 0.894 0.956 1.00 0.00 C ATOM 468 SG CYS A 37 3.396 1.117 0.666 1.00 0.00 S ATOM 0 H CYS A 37 4.312 -1.679 0.308 1.00 0.00 H new ATOM 0 HA CYS A 37 6.338 0.210 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.349 0.677 2.011 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.699 1.829 0.739 1.00 0.00 H new ATOM 473 N ALA A 38 7.889 -0.366 1.310 1.00 0.00 N ATOM 474 CA ALA A 38 8.927 -0.987 2.113 1.00 0.00 C ATOM 475 C ALA A 38 9.818 0.087 2.714 1.00 0.00 C ATOM 476 O ALA A 38 9.653 1.276 2.418 1.00 0.00 O ATOM 477 CB ALA A 38 9.745 -1.963 1.273 1.00 0.00 C ATOM 0 H ALA A 38 8.077 0.606 1.065 1.00 0.00 H new ATOM 0 HA ALA A 38 8.462 -1.552 2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.518 -2.418 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.091 -2.741 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.212 -1.428 0.446 1.00 0.00 H new ATOM 483 N TRP A 39 10.752 -0.326 3.558 1.00 0.00 N ATOM 484 CA TRP A 39 11.668 0.601 4.198 1.00 0.00 C ATOM 485 C TRP A 39 12.735 1.059 3.212 1.00 0.00 C ATOM 486 O TRP A 39 13.713 0.352 2.963 1.00 0.00 O ATOM 487 CB TRP A 39 12.324 -0.055 5.414 1.00 0.00 C ATOM 488 CG TRP A 39 11.493 0.022 6.659 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.191 -0.362 6.804 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.913 0.511 7.937 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.773 -0.132 8.092 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.814 0.401 8.808 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.111 1.038 8.429 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.877 0.792 10.141 1.00 0.00 C ATOM 495 CZ3 TRP A 39 13.173 1.422 9.753 1.00 0.00 C ATOM 496 CH2 TRP A 39 12.063 1.298 10.596 1.00 0.00 C ATOM 0 H TRP A 39 10.894 -1.303 3.815 1.00 0.00 H new ATOM 0 HA TRP A 39 11.102 1.471 4.531 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.526 -1.102 5.187 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.286 0.423 5.599 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.579 -0.785 6.021 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.840 -0.326 8.456 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.972 1.143 7.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.021 0.699 10.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 14.095 1.825 10.146 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.145 1.608 11.627 1.00 0.00 H new ATOM 507 N VAL A 40 12.530 2.235 2.639 1.00 0.00 N ATOM 508 CA VAL A 40 13.474 2.789 1.682 1.00 0.00 C ATOM 509 C VAL A 40 14.653 3.433 2.409 1.00 0.00 C ATOM 510 O VAL A 40 15.774 3.464 1.900 1.00 0.00 O ATOM 511 CB VAL A 40 12.790 3.810 0.737 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.234 5.001 1.506 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.752 4.271 -0.346 1.00 0.00 C ATOM 0 H VAL A 40 11.717 2.824 2.821 1.00 0.00 H new ATOM 0 HA VAL A 40 13.847 1.970 1.067 1.00 0.00 H new ATOM 0 HB VAL A 40 11.950 3.304 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.762 5.695 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.496 4.655 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.045 5.507 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.251 4.987 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.619 4.745 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.077 3.412 -0.933 1.00 0.00 H new ATOM 523 N ASP A 41 14.396 3.914 3.617 1.00 0.00 N ATOM 524 CA ASP A 41 15.424 4.551 4.430 1.00 0.00 C ATOM 525 C ASP A 41 15.190 4.210 5.898 1.00 0.00 C ATOM 526 O ASP A 41 14.376 3.339 6.213 1.00 0.00 O ATOM 527 CB ASP A 41 15.392 6.072 4.231 1.00 0.00 C ATOM 528 CG ASP A 41 16.760 6.723 4.373 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.373 6.608 5.457 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.221 7.362 3.404 1.00 0.00 O ATOM 0 H ASP A 41 13.478 3.875 4.059 1.00 0.00 H new ATOM 0 HA ASP A 41 16.403 4.183 4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.992 6.294 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.710 6.513 4.958 1.00 0.00 H new ATOM 535 N THR A 42 15.890 4.895 6.785 1.00 0.00 N ATOM 536 CA THR A 42 15.750 4.666 8.213 1.00 0.00 C ATOM 537 C THR A 42 14.483 5.339 8.732 1.00 0.00 C ATOM 538 O THR A 42 14.491 6.523 9.069 1.00 0.00 O ATOM 539 CB THR A 42 16.965 5.208 8.986 1.00 0.00 C ATOM 540 OG1 THR A 42 18.159 5.038 8.206 1.00 0.00 O ATOM 541 CG2 THR A 42 17.117 4.492 10.322 1.00 0.00 C ATOM 0 H THR A 42 16.565 5.619 6.540 1.00 0.00 H new ATOM 0 HA THR A 42 15.687 3.589 8.372 1.00 0.00 H new ATOM 0 HB THR A 42 16.805 6.269 9.176 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.928 5.387 8.704 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.982 4.891 10.852 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.220 4.647 10.922 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.258 3.425 10.149 1.00 0.00 H new ATOM 549 N GLY A 43 13.388 4.592 8.751 1.00 0.00 N ATOM 550 CA GLY A 43 12.130 5.131 9.223 1.00 0.00 C ATOM 551 C GLY A 43 11.279 5.641 8.081 1.00 0.00 C ATOM 552 O GLY A 43 10.056 5.689 8.179 1.00 0.00 O ATOM 0 H GLY A 43 13.349 3.619 8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.585 4.360 9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.322 5.942 9.925 1.00 0.00 H new ATOM 556 N VAL A 44 11.932 6.019 6.994 1.00 0.00 N ATOM 557 CA VAL A 44 11.229 6.522 5.826 1.00 0.00 C ATOM 558 C VAL A 44 10.731 5.363 4.975 1.00 0.00 C ATOM 559 O VAL A 44 11.509 4.492 4.576 1.00 0.00 O ATOM 560 CB VAL A 44 12.126 7.441 4.968 1.00 0.00 C ATOM 561 CG1 VAL A 44 11.313 8.167 3.907 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.869 8.440 5.842 1.00 0.00 C ATOM 0 H VAL A 44 12.947 5.987 6.897 1.00 0.00 H new ATOM 0 HA VAL A 44 10.383 7.110 6.183 1.00 0.00 H new ATOM 0 HB VAL A 44 12.858 6.811 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.971 8.806 3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.835 7.438 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.549 8.778 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.494 9.077 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.150 9.056 6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.496 7.904 6.555 1.00 0.00 H new ATOM 572 N LEU A 45 9.436 5.347 4.720 1.00 0.00 N ATOM 573 CA LEU A 45 8.825 4.306 3.916 1.00 0.00 C ATOM 574 C LEU A 45 8.321 4.906 2.615 1.00 0.00 C ATOM 575 O LEU A 45 8.066 6.106 2.546 1.00 0.00 O ATOM 576 CB LEU A 45 7.668 3.651 4.674 1.00 0.00 C ATOM 577 CG LEU A 45 7.873 3.508 6.181 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.043 4.535 6.934 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.515 2.104 6.633 1.00 0.00 C ATOM 0 H LEU A 45 8.782 6.051 5.062 1.00 0.00 H new ATOM 0 HA LEU A 45 9.570 3.540 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.765 4.236 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.493 2.661 4.252 1.00 0.00 H new ATOM 0 HG LEU A 45 8.925 3.687 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.203 4.417 8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.343 5.538 6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.987 4.387 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.667 2.018 7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.471 1.901 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.150 1.383 6.119 1.00 0.00 H new ATOM 591 N ALA A 46 8.179 4.085 1.589 1.00 0.00 N ATOM 592 CA ALA A 46 7.710 4.568 0.301 1.00 0.00 C ATOM 593 C ALA A 46 7.064 3.443 -0.498 1.00 0.00 C ATOM 594 O ALA A 46 7.538 2.306 -0.466 1.00 0.00 O ATOM 595 CB ALA A 46 8.868 5.185 -0.465 1.00 0.00 C ATOM 0 H ALA A 46 8.380 3.086 1.621 1.00 0.00 H new ATOM 0 HA ALA A 46 6.950 5.332 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.514 5.546 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.279 6.018 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.643 4.434 -0.621 1.00 0.00 H new ATOM 601 N CYS A 47 5.975 3.757 -1.197 1.00 0.00 N ATOM 602 CA CYS A 47 5.261 2.763 -1.995 1.00 0.00 C ATOM 603 C CYS A 47 5.600 2.897 -3.473 1.00 0.00 C ATOM 604 O CYS A 47 6.157 3.906 -3.901 1.00 0.00 O ATOM 605 CB CYS A 47 3.748 2.895 -1.802 1.00 0.00 C ATOM 606 SG CYS A 47 3.220 3.004 -0.062 1.00 0.00 S ATOM 0 H CYS A 47 5.568 4.692 -1.227 1.00 0.00 H new ATOM 0 HA CYS A 47 5.580 1.779 -1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.402 3.783 -2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.258 2.038 -2.265 1.00 0.00 H new ATOM 611 N ASN A 48 5.264 1.872 -4.244 1.00 0.00 N ATOM 612 CA ASN A 48 5.534 1.869 -5.674 1.00 0.00 C ATOM 613 C ASN A 48 4.324 2.330 -6.475 1.00 0.00 C ATOM 614 O ASN A 48 3.264 1.710 -6.422 1.00 0.00 O ATOM 615 CB ASN A 48 5.941 0.478 -6.146 1.00 0.00 C ATOM 616 CG ASN A 48 6.446 0.492 -7.575 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.945 -0.231 -8.432 1.00 0.00 O ATOM 618 ND2 ASN A 48 7.450 1.312 -7.834 1.00 0.00 N ATOM 0 H ASN A 48 4.802 1.029 -3.901 1.00 0.00 H new ATOM 0 HA ASN A 48 6.354 2.567 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.718 0.085 -5.490 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.088 -0.196 -6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.838 1.361 -8.776 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.836 1.895 -7.092 1.00 0.00 H new ATOM 625 N PRO A 49 4.476 3.417 -7.241 1.00 0.00 N ATOM 626 CA PRO A 49 3.404 3.963 -8.070 1.00 0.00 C ATOM 627 C PRO A 49 3.367 3.343 -9.468 1.00 0.00 C ATOM 628 O PRO A 49 2.576 3.750 -10.316 1.00 0.00 O ATOM 629 CB PRO A 49 3.786 5.433 -8.156 1.00 0.00 C ATOM 630 CG PRO A 49 5.277 5.422 -8.169 1.00 0.00 C ATOM 631 CD PRO A 49 5.705 4.229 -7.345 1.00 0.00 C ATOM 0 HA PRO A 49 2.415 3.770 -7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.383 5.897 -9.056 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.399 5.996 -7.306 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.655 5.345 -9.188 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.675 6.346 -7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.510 3.676 -7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.070 4.531 -6.363 1.00 0.00 H new ATOM 639 N ALA A 50 4.222 2.359 -9.704 1.00 0.00 N ATOM 640 CA ALA A 50 4.284 1.703 -11.003 1.00 0.00 C ATOM 641 C ALA A 50 3.277 0.562 -11.097 1.00 0.00 C ATOM 642 O ALA A 50 2.859 0.178 -12.190 1.00 0.00 O ATOM 643 CB ALA A 50 5.693 1.200 -11.282 1.00 0.00 C ATOM 0 H ALA A 50 4.881 1.997 -9.015 1.00 0.00 H new ATOM 0 HA ALA A 50 4.023 2.440 -11.762 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.719 0.713 -12.257 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.387 2.041 -11.278 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.984 0.486 -10.512 1.00 0.00 H new ATOM 649 N ASP A 51 2.890 0.019 -9.949 1.00 0.00 N ATOM 650 CA ASP A 51 1.928 -1.079 -9.914 1.00 0.00 C ATOM 651 C ASP A 51 0.958 -0.916 -8.750 1.00 0.00 C ATOM 652 O ASP A 51 0.487 -1.899 -8.172 1.00 0.00 O ATOM 653 CB ASP A 51 2.651 -2.417 -9.802 1.00 0.00 C ATOM 654 CG ASP A 51 2.144 -3.434 -10.804 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.938 -3.757 -10.781 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.955 -3.916 -11.623 1.00 0.00 O ATOM 0 H ASP A 51 3.225 0.318 -9.033 1.00 0.00 H new ATOM 0 HA ASP A 51 1.360 -1.058 -10.844 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.719 -2.263 -9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.526 -2.811 -8.794 1.00 0.00 H new ATOM 661 N PHE A 52 0.663 0.331 -8.411 1.00 0.00 N ATOM 662 CA PHE A 52 -0.260 0.628 -7.320 1.00 0.00 C ATOM 663 C PHE A 52 -1.699 0.589 -7.824 1.00 0.00 C ATOM 664 O PHE A 52 -1.944 0.688 -9.029 1.00 0.00 O ATOM 665 CB PHE A 52 0.055 1.999 -6.695 1.00 0.00 C ATOM 666 CG PHE A 52 -0.555 3.169 -7.425 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.033 3.598 -8.632 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.653 3.832 -6.901 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.594 4.666 -9.307 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.219 4.898 -7.572 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.689 5.315 -8.777 1.00 0.00 C ATOM 0 H PHE A 52 1.048 1.154 -8.874 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.138 -0.132 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.298 2.005 -5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.137 2.130 -6.662 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.824 3.092 -9.052 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.071 3.512 -5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.175 4.991 -10.248 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.076 5.405 -7.154 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.131 6.148 -9.303 1.00 0.00 H new ATOM 681 N SER A 53 -2.644 0.445 -6.906 1.00 0.00 N ATOM 682 CA SER A 53 -4.053 0.388 -7.263 1.00 0.00 C ATOM 683 C SER A 53 -4.870 1.298 -6.351 1.00 0.00 C ATOM 684 O SER A 53 -5.192 0.929 -5.221 1.00 0.00 O ATOM 685 CB SER A 53 -4.570 -1.052 -7.168 1.00 0.00 C ATOM 686 OG SER A 53 -3.685 -1.965 -7.804 1.00 0.00 O ATOM 0 H SER A 53 -2.459 0.365 -5.906 1.00 0.00 H new ATOM 0 HA SER A 53 -4.162 0.733 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.689 -1.329 -6.120 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.555 -1.117 -7.629 1.00 0.00 H new ATOM 0 HG SER A 53 -3.877 -2.875 -7.496 1.00 0.00 H new ATOM 692 N SER A 54 -5.182 2.493 -6.832 1.00 0.00 N ATOM 693 CA SER A 54 -5.966 3.436 -6.057 1.00 0.00 C ATOM 694 C SER A 54 -7.449 3.100 -6.161 1.00 0.00 C ATOM 695 O SER A 54 -7.965 2.858 -7.255 1.00 0.00 O ATOM 696 CB SER A 54 -5.703 4.861 -6.542 1.00 0.00 C ATOM 697 OG SER A 54 -5.423 4.882 -7.935 1.00 0.00 O ATOM 0 H SER A 54 -4.904 2.829 -7.754 1.00 0.00 H new ATOM 0 HA SER A 54 -5.670 3.365 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.571 5.486 -6.333 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.864 5.287 -5.992 1.00 0.00 H new ATOM 0 HG SER A 54 -4.459 4.779 -8.076 1.00 0.00 H new ATOM 703 N VAL A 55 -8.127 3.073 -5.027 1.00 0.00 N ATOM 704 CA VAL A 55 -9.543 2.756 -4.998 1.00 0.00 C ATOM 705 C VAL A 55 -10.312 3.795 -4.188 1.00 0.00 C ATOM 706 O VAL A 55 -9.937 4.134 -3.066 1.00 0.00 O ATOM 707 CB VAL A 55 -9.795 1.335 -4.432 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.150 1.161 -3.064 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.285 1.032 -4.369 1.00 0.00 C ATOM 0 H VAL A 55 -7.718 3.267 -4.113 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.905 2.776 -6.026 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.330 0.621 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.345 0.154 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.074 1.315 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.568 1.889 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.436 0.029 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.777 1.759 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.711 1.090 -5.371 1.00 0.00 H new ATOM 719 N THR A 56 -11.374 4.316 -4.771 1.00 0.00 N ATOM 720 CA THR A 56 -12.185 5.307 -4.099 1.00 0.00 C ATOM 721 C THR A 56 -13.363 4.636 -3.398 1.00 0.00 C ATOM 722 O THR A 56 -13.913 3.646 -3.889 1.00 0.00 O ATOM 723 CB THR A 56 -12.684 6.395 -5.082 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.418 7.407 -4.378 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.560 5.796 -6.172 1.00 0.00 C ATOM 0 H THR A 56 -11.693 4.069 -5.708 1.00 0.00 H new ATOM 0 HA THR A 56 -11.563 5.800 -3.352 1.00 0.00 H new ATOM 0 HB THR A 56 -11.807 6.843 -5.550 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.114 7.444 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.894 6.585 -6.845 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.988 5.058 -6.734 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.427 5.315 -5.719 1.00 0.00 H new ATOM 733 N ALA A 57 -13.725 5.156 -2.235 1.00 0.00 N ATOM 734 CA ALA A 57 -14.832 4.608 -1.470 1.00 0.00 C ATOM 735 C ALA A 57 -16.143 4.757 -2.231 1.00 0.00 C ATOM 736 O ALA A 57 -16.450 5.831 -2.755 1.00 0.00 O ATOM 737 CB ALA A 57 -14.920 5.279 -0.110 1.00 0.00 C ATOM 0 H ALA A 57 -13.267 5.957 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.650 3.544 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.754 4.857 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.993 5.112 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.076 6.350 -0.242 1.00 0.00 H new ATOM 743 N ASP A 58 -16.908 3.674 -2.287 1.00 0.00 N ATOM 744 CA ASP A 58 -18.192 3.658 -2.986 1.00 0.00 C ATOM 745 C ASP A 58 -19.248 4.450 -2.213 1.00 0.00 C ATOM 746 O ASP A 58 -18.919 5.234 -1.322 1.00 0.00 O ATOM 747 CB ASP A 58 -18.664 2.211 -3.211 1.00 0.00 C ATOM 748 CG ASP A 58 -18.739 1.392 -1.931 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.833 1.982 -0.839 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.695 0.150 -2.010 1.00 0.00 O ATOM 0 H ASP A 58 -16.660 2.785 -1.852 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.054 4.135 -3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.647 2.227 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.985 1.720 -3.908 1.00 0.00 H new ATOM 755 N ALA A 59 -20.514 4.246 -2.553 1.00 0.00 N ATOM 756 CA ALA A 59 -21.607 4.948 -1.891 1.00 0.00 C ATOM 757 C ALA A 59 -21.950 4.311 -0.547 1.00 0.00 C ATOM 758 O ALA A 59 -22.862 4.757 0.150 1.00 0.00 O ATOM 759 CB ALA A 59 -22.832 4.977 -2.789 1.00 0.00 C ATOM 0 H ALA A 59 -20.810 3.599 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.280 5.970 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.641 5.504 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.589 5.491 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.146 3.957 -3.010 1.00 0.00 H new ATOM 765 N ASN A 60 -21.219 3.263 -0.191 1.00 0.00 N ATOM 766 CA ASN A 60 -21.434 2.564 1.068 1.00 0.00 C ATOM 767 C ASN A 60 -20.263 2.816 2.013 1.00 0.00 C ATOM 768 O ASN A 60 -20.303 2.456 3.191 1.00 0.00 O ATOM 769 CB ASN A 60 -21.602 1.060 0.822 1.00 0.00 C ATOM 770 CG ASN A 60 -22.910 0.727 0.128 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.938 1.365 0.371 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.886 -0.276 -0.738 1.00 0.00 N ATOM 0 H ASN A 60 -20.467 2.876 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.346 2.944 1.528 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.771 0.699 0.216 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.555 0.532 1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.738 -0.545 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.016 -0.779 -0.912 1.00 0.00 H new ATOM 779 N GLY A 61 -19.222 3.444 1.482 1.00 0.00 N ATOM 780 CA GLY A 61 -18.045 3.740 2.273 1.00 0.00 C ATOM 781 C GLY A 61 -17.082 2.574 2.318 1.00 0.00 C ATOM 782 O GLY A 61 -16.344 2.407 3.286 1.00 0.00 O ATOM 0 H GLY A 61 -19.173 3.755 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.539 4.612 1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.347 4.000 3.288 1.00 0.00 H new ATOM 786 N SER A 62 -17.093 1.769 1.269 1.00 0.00 N ATOM 787 CA SER A 62 -16.225 0.606 1.182 1.00 0.00 C ATOM 788 C SER A 62 -15.193 0.781 0.069 1.00 0.00 C ATOM 789 O SER A 62 -15.466 1.422 -0.954 1.00 0.00 O ATOM 790 CB SER A 62 -17.065 -0.647 0.931 1.00 0.00 C ATOM 791 OG SER A 62 -18.448 -0.324 0.853 1.00 0.00 O ATOM 0 H SER A 62 -17.699 1.901 0.459 1.00 0.00 H new ATOM 0 HA SER A 62 -15.691 0.498 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.746 -1.124 0.004 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.900 -1.367 1.733 1.00 0.00 H new ATOM 0 HG SER A 62 -18.723 -0.289 -0.087 1.00 0.00 H new ATOM 797 N ALA A 63 -14.011 0.218 0.276 1.00 0.00 N ATOM 798 CA ALA A 63 -12.939 0.303 -0.704 1.00 0.00 C ATOM 799 C ALA A 63 -12.196 -1.023 -0.804 1.00 0.00 C ATOM 800 O ALA A 63 -11.502 -1.425 0.128 1.00 0.00 O ATOM 801 CB ALA A 63 -11.974 1.421 -0.340 1.00 0.00 C ATOM 0 H ALA A 63 -13.770 -0.305 1.118 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.381 0.525 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.178 1.471 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.509 2.370 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.542 1.224 0.641 1.00 0.00 H new ATOM 807 N SER A 64 -12.362 -1.704 -1.925 1.00 0.00 N ATOM 808 CA SER A 64 -11.706 -2.984 -2.148 1.00 0.00 C ATOM 809 C SER A 64 -10.855 -2.932 -3.414 1.00 0.00 C ATOM 810 O SER A 64 -11.291 -2.404 -4.441 1.00 0.00 O ATOM 811 CB SER A 64 -12.756 -4.089 -2.265 1.00 0.00 C ATOM 812 OG SER A 64 -13.918 -3.762 -1.517 1.00 0.00 O ATOM 0 H SER A 64 -12.948 -1.391 -2.699 1.00 0.00 H new ATOM 0 HA SER A 64 -11.054 -3.198 -1.301 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.021 -4.235 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.341 -5.031 -1.907 1.00 0.00 H new ATOM 0 HG SER A 64 -14.578 -4.481 -1.607 1.00 0.00 H new ATOM 818 N THR A 65 -9.643 -3.463 -3.336 1.00 0.00 N ATOM 819 CA THR A 65 -8.743 -3.468 -4.476 1.00 0.00 C ATOM 820 C THR A 65 -7.711 -4.594 -4.353 1.00 0.00 C ATOM 821 O THR A 65 -7.640 -5.282 -3.330 1.00 0.00 O ATOM 822 CB THR A 65 -8.032 -2.104 -4.629 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.450 -1.988 -5.934 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.957 -1.922 -3.567 1.00 0.00 C ATOM 0 H THR A 65 -9.262 -3.895 -2.494 1.00 0.00 H new ATOM 0 HA THR A 65 -9.342 -3.644 -5.369 1.00 0.00 H new ATOM 0 HB THR A 65 -8.780 -1.322 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.146 -1.067 -6.076 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.474 -0.954 -3.700 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.412 -1.968 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.214 -2.714 -3.662 1.00 0.00 H new ATOM 832 N SER A 66 -6.918 -4.772 -5.402 1.00 0.00 N ATOM 833 CA SER A 66 -5.896 -5.805 -5.437 1.00 0.00 C ATOM 834 C SER A 66 -4.550 -5.194 -5.812 1.00 0.00 C ATOM 835 O SER A 66 -4.462 -4.405 -6.754 1.00 0.00 O ATOM 836 CB SER A 66 -6.301 -6.882 -6.440 1.00 0.00 C ATOM 837 OG SER A 66 -7.698 -7.114 -6.380 1.00 0.00 O ATOM 0 H SER A 66 -6.966 -4.205 -6.249 1.00 0.00 H new ATOM 0 HA SER A 66 -5.800 -6.260 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.020 -6.574 -7.447 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.763 -7.806 -6.228 1.00 0.00 H new ATOM 0 HG SER A 66 -7.943 -7.806 -7.030 1.00 0.00 H new ATOM 843 N LEU A 67 -3.505 -5.552 -5.077 1.00 0.00 N ATOM 844 CA LEU A 67 -2.175 -5.009 -5.332 1.00 0.00 C ATOM 845 C LEU A 67 -1.196 -6.074 -5.801 1.00 0.00 C ATOM 846 O LEU A 67 -1.214 -7.208 -5.320 1.00 0.00 O ATOM 847 CB LEU A 67 -1.627 -4.344 -4.067 1.00 0.00 C ATOM 848 CG LEU A 67 -1.829 -2.827 -3.974 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.213 -2.129 -5.176 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.305 -2.482 -3.864 1.00 0.00 C ATOM 0 H LEU A 67 -3.551 -6.214 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.279 -4.274 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.098 -4.809 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.560 -4.555 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.326 -2.476 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.367 -1.053 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.144 -2.341 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.685 -2.492 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.422 -1.400 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.832 -2.852 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.721 -2.946 -2.970 1.00 0.00 H new ATOM 862 N THR A 68 -0.339 -5.693 -6.738 1.00 0.00 N ATOM 863 CA THR A 68 0.676 -6.590 -7.264 1.00 0.00 C ATOM 864 C THR A 68 2.000 -6.339 -6.550 1.00 0.00 C ATOM 865 O THR A 68 2.645 -5.318 -6.772 1.00 0.00 O ATOM 866 CB THR A 68 0.879 -6.383 -8.779 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.231 -5.663 -9.334 1.00 0.00 O ATOM 868 CG2 THR A 68 1.028 -7.715 -9.493 1.00 0.00 C ATOM 0 H THR A 68 -0.328 -4.761 -7.151 1.00 0.00 H new ATOM 0 HA THR A 68 0.340 -7.613 -7.094 1.00 0.00 H new ATOM 0 HB THR A 68 1.793 -5.806 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.095 -5.022 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.170 -7.542 -10.560 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.891 -8.247 -9.094 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.130 -8.313 -9.339 1.00 0.00 H new ATOM 876 N VAL A 69 2.395 -7.254 -5.679 1.00 0.00 N ATOM 877 CA VAL A 69 3.637 -7.094 -4.938 1.00 0.00 C ATOM 878 C VAL A 69 4.845 -7.579 -5.747 1.00 0.00 C ATOM 879 O VAL A 69 4.990 -8.768 -6.041 1.00 0.00 O ATOM 880 CB VAL A 69 3.582 -7.800 -3.557 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.253 -9.277 -3.693 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.890 -7.608 -2.802 1.00 0.00 C ATOM 0 H VAL A 69 1.879 -8.108 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 69 3.759 -6.026 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 69 2.779 -7.337 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.224 -9.736 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.282 -9.391 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.017 -9.766 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.830 -8.111 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.710 -8.032 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.067 -6.544 -2.646 1.00 0.00 H new ATOM 892 N ARG A 70 5.687 -6.633 -6.140 1.00 0.00 N ATOM 893 CA ARG A 70 6.897 -6.938 -6.890 1.00 0.00 C ATOM 894 C ARG A 70 8.048 -7.186 -5.924 1.00 0.00 C ATOM 895 O ARG A 70 7.945 -6.868 -4.737 1.00 0.00 O ATOM 896 CB ARG A 70 7.251 -5.782 -7.832 1.00 0.00 C ATOM 897 CG ARG A 70 6.124 -5.392 -8.772 1.00 0.00 C ATOM 898 CD ARG A 70 5.846 -6.479 -9.793 1.00 0.00 C ATOM 899 NE ARG A 70 4.799 -6.090 -10.735 1.00 0.00 N ATOM 900 CZ ARG A 70 4.366 -6.860 -11.730 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.912 -8.053 -11.936 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.394 -6.426 -12.522 1.00 0.00 N ATOM 0 H ARG A 70 5.552 -5.640 -5.950 1.00 0.00 H new ATOM 0 HA ARG A 70 6.723 -7.833 -7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.532 -4.913 -7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.124 -6.060 -8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.220 -5.194 -8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.383 -4.466 -9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.761 -6.705 -10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.549 -7.393 -9.278 1.00 0.00 H new ATOM 0 HE ARG A 70 4.373 -5.170 -10.623 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.665 -8.381 -11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.578 -8.642 -12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.982 -5.506 -12.367 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.059 -7.013 -13.286 1.00 0.00 H new ATOM 916 N ARG A 71 9.141 -7.748 -6.433 1.00 0.00 N ATOM 917 CA ARG A 71 10.309 -8.036 -5.607 1.00 0.00 C ATOM 918 C ARG A 71 11.151 -6.774 -5.422 1.00 0.00 C ATOM 919 O ARG A 71 11.736 -6.553 -4.364 1.00 0.00 O ATOM 920 CB ARG A 71 11.151 -9.152 -6.241 1.00 0.00 C ATOM 921 CG ARG A 71 12.146 -9.797 -5.288 1.00 0.00 C ATOM 922 CD ARG A 71 11.453 -10.703 -4.279 1.00 0.00 C ATOM 923 NE ARG A 71 10.895 -11.905 -4.904 1.00 0.00 N ATOM 924 CZ ARG A 71 10.819 -13.096 -4.311 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.245 -13.258 -3.062 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.303 -14.123 -4.974 1.00 0.00 N ATOM 0 H ARG A 71 9.242 -8.013 -7.413 1.00 0.00 H new ATOM 0 HA ARG A 71 9.968 -8.374 -4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.483 -9.922 -6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.693 -8.743 -7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.873 -10.376 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.700 -9.021 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.165 -10.995 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.655 -10.149 -3.784 1.00 0.00 H new ATOM 0 HE ARG A 71 10.541 -11.825 -5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.634 -12.467 -2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.183 -14.173 -2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.969 -13.997 -5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.241 -15.038 -4.528 1.00 0.00 H new ATOM 940 N SER A 72 11.204 -5.950 -6.461 1.00 0.00 N ATOM 941 CA SER A 72 11.951 -4.700 -6.431 1.00 0.00 C ATOM 942 C SER A 72 11.085 -3.593 -7.021 1.00 0.00 C ATOM 943 O SER A 72 10.361 -3.830 -7.988 1.00 0.00 O ATOM 944 CB SER A 72 13.250 -4.845 -7.227 1.00 0.00 C ATOM 945 OG SER A 72 13.847 -6.114 -7.007 1.00 0.00 O ATOM 0 H SER A 72 10.731 -6.129 -7.347 1.00 0.00 H new ATOM 0 HA SER A 72 12.208 -4.449 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.045 -4.716 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.946 -4.058 -6.939 1.00 0.00 H new ATOM 0 HG SER A 72 14.384 -6.085 -6.188 1.00 0.00 H new ATOM 951 N PHE A 73 11.145 -2.397 -6.451 1.00 0.00 N ATOM 952 CA PHE A 73 10.324 -1.293 -6.937 1.00 0.00 C ATOM 953 C PHE A 73 10.852 0.057 -6.468 1.00 0.00 C ATOM 954 O PHE A 73 11.626 0.135 -5.521 1.00 0.00 O ATOM 955 CB PHE A 73 8.888 -1.472 -6.441 1.00 0.00 C ATOM 956 CG PHE A 73 8.765 -1.535 -4.940 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.589 -0.381 -4.191 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.818 -2.752 -4.280 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.472 -0.440 -2.817 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.702 -2.816 -2.907 1.00 0.00 C ATOM 961 CZ PHE A 73 8.527 -1.660 -2.175 1.00 0.00 C ATOM 0 H PHE A 73 11.746 -2.166 -5.660 1.00 0.00 H new ATOM 0 HA PHE A 73 10.357 -1.307 -8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.280 -0.646 -6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.478 -2.387 -6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.543 0.576 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.952 -3.661 -4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.338 0.467 -2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.748 -3.771 -2.405 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.433 -1.710 -1.100 1.00 0.00 H new ATOM 971 N GLU A 74 10.436 1.118 -7.141 1.00 0.00 N ATOM 972 CA GLU A 74 10.852 2.459 -6.760 1.00 0.00 C ATOM 973 C GLU A 74 9.944 2.969 -5.650 1.00 0.00 C ATOM 974 O GLU A 74 8.726 2.778 -5.703 1.00 0.00 O ATOM 975 CB GLU A 74 10.805 3.428 -7.947 1.00 0.00 C ATOM 976 CG GLU A 74 11.074 2.774 -9.288 1.00 0.00 C ATOM 977 CD GLU A 74 9.804 2.338 -9.977 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.185 3.171 -10.675 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.412 1.165 -9.815 1.00 0.00 O ATOM 0 H GLU A 74 9.815 1.078 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 74 11.884 2.408 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.824 3.903 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.538 4.219 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.611 3.473 -9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.722 1.910 -9.145 1.00 0.00 H new ATOM 986 N GLY A 75 10.530 3.605 -4.654 1.00 0.00 N ATOM 987 CA GLY A 75 9.750 4.121 -3.554 1.00 0.00 C ATOM 988 C GLY A 75 9.395 5.582 -3.728 1.00 0.00 C ATOM 989 O GLY A 75 10.276 6.429 -3.907 1.00 0.00 O ATOM 0 H GLY A 75 11.534 3.774 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.835 3.537 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.308 3.994 -2.626 1.00 0.00 H new ATOM 993 N PHE A 76 8.107 5.879 -3.666 1.00 0.00 N ATOM 994 CA PHE A 76 7.629 7.241 -3.818 1.00 0.00 C ATOM 995 C PHE A 76 6.926 7.685 -2.552 1.00 0.00 C ATOM 996 O PHE A 76 6.210 6.898 -1.927 1.00 0.00 O ATOM 997 CB PHE A 76 6.666 7.344 -5.004 1.00 0.00 C ATOM 998 CG PHE A 76 7.342 7.508 -6.341 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.342 6.642 -6.748 1.00 0.00 C ATOM 1000 CD2 PHE A 76 6.959 8.528 -7.196 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.950 6.790 -7.980 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.563 8.681 -8.429 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.560 7.812 -8.821 1.00 0.00 C ATOM 0 H PHE A 76 7.371 5.190 -3.511 1.00 0.00 H new ATOM 0 HA PHE A 76 8.485 7.889 -4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.045 6.448 -5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.998 8.190 -4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.651 5.840 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.179 9.212 -6.895 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.729 6.107 -8.284 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.255 9.481 -9.086 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.034 7.931 -9.784 1.00 0.00 H new ATOM 1013 N LEU A 77 7.144 8.931 -2.162 1.00 0.00 N ATOM 1014 CA LEU A 77 6.512 9.466 -0.970 1.00 0.00 C ATOM 1015 C LEU A 77 5.063 9.822 -1.267 1.00 0.00 C ATOM 1016 O LEU A 77 4.625 9.746 -2.417 1.00 0.00 O ATOM 1017 CB LEU A 77 7.253 10.705 -0.466 1.00 0.00 C ATOM 1018 CG LEU A 77 8.736 10.509 -0.154 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.319 11.792 0.412 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.937 9.359 0.820 1.00 0.00 C ATOM 0 H LEU A 77 7.752 9.587 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 77 6.549 8.702 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.159 11.492 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.755 11.062 0.436 1.00 0.00 H new ATOM 0 HG LEU A 77 9.256 10.261 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.376 11.645 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.208 12.595 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.791 12.058 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.000 9.239 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.409 9.573 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.546 8.440 0.383 1.00 0.00 H new ATOM 1032 N PHE A 78 4.326 10.231 -0.244 1.00 0.00 N ATOM 1033 CA PHE A 78 2.923 10.586 -0.411 1.00 0.00 C ATOM 1034 C PHE A 78 2.772 11.810 -1.312 1.00 0.00 C ATOM 1035 O PHE A 78 1.819 11.908 -2.086 1.00 0.00 O ATOM 1036 CB PHE A 78 2.273 10.843 0.950 1.00 0.00 C ATOM 1037 CG PHE A 78 0.959 10.141 1.124 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.916 8.806 1.496 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.232 10.814 0.911 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.292 8.156 1.654 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.441 10.169 1.066 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.471 8.838 1.437 1.00 0.00 C ATOM 0 H PHE A 78 4.675 10.325 0.710 1.00 0.00 H new ATOM 0 HA PHE A 78 2.416 9.748 -0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.955 10.522 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.123 11.915 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.838 8.269 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.214 11.854 0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.314 7.117 1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.364 10.704 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.418 8.332 1.557 1.00 0.00 H new ATOM 1052 N ASP A 79 3.722 12.728 -1.215 1.00 0.00 N ATOM 1053 CA ASP A 79 3.691 13.943 -2.023 1.00 0.00 C ATOM 1054 C ASP A 79 4.061 13.647 -3.474 1.00 0.00 C ATOM 1055 O ASP A 79 3.708 14.401 -4.378 1.00 0.00 O ATOM 1056 CB ASP A 79 4.627 15.011 -1.444 1.00 0.00 C ATOM 1057 CG ASP A 79 6.096 14.699 -1.643 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.618 14.932 -2.752 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.743 14.232 -0.680 1.00 0.00 O ATOM 0 H ASP A 79 4.523 12.657 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 79 2.671 14.328 -2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.401 15.971 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.428 15.118 -0.378 1.00 0.00 H new ATOM 1064 N GLY A 80 4.760 12.544 -3.698 1.00 0.00 N ATOM 1065 CA GLY A 80 5.148 12.187 -5.046 1.00 0.00 C ATOM 1066 C GLY A 80 6.649 12.066 -5.222 1.00 0.00 C ATOM 1067 O GLY A 80 7.113 11.364 -6.118 1.00 0.00 O ATOM 0 H GLY A 80 5.064 11.893 -2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.680 11.240 -5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.767 12.938 -5.738 1.00 0.00 H new ATOM 1071 N THR A 81 7.413 12.755 -4.385 1.00 0.00 N ATOM 1072 CA THR A 81 8.869 12.712 -4.466 1.00 0.00 C ATOM 1073 C THR A 81 9.403 11.297 -4.233 1.00 0.00 C ATOM 1074 O THR A 81 9.047 10.641 -3.253 1.00 0.00 O ATOM 1075 CB THR A 81 9.502 13.671 -3.442 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.026 15.004 -3.670 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.020 13.649 -3.530 1.00 0.00 C ATOM 0 H THR A 81 7.050 13.351 -3.641 1.00 0.00 H new ATOM 0 HA THR A 81 9.143 13.026 -5.473 1.00 0.00 H new ATOM 0 HB THR A 81 9.214 13.340 -2.444 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.257 15.181 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.437 14.337 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.381 12.640 -3.330 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.331 13.954 -4.529 1.00 0.00 H new ATOM 1085 N ARG A 82 10.243 10.828 -5.149 1.00 0.00 N ATOM 1086 CA ARG A 82 10.831 9.500 -5.034 1.00 0.00 C ATOM 1087 C ARG A 82 12.081 9.551 -4.163 1.00 0.00 C ATOM 1088 O ARG A 82 13.000 10.331 -4.419 1.00 0.00 O ATOM 1089 CB ARG A 82 11.167 8.923 -6.416 1.00 0.00 C ATOM 1090 CG ARG A 82 11.834 9.904 -7.364 1.00 0.00 C ATOM 1091 CD ARG A 82 12.102 9.262 -8.716 1.00 0.00 C ATOM 1092 NE ARG A 82 12.538 10.235 -9.717 1.00 0.00 N ATOM 1093 CZ ARG A 82 12.488 10.022 -11.036 1.00 0.00 C ATOM 1094 NH1 ARG A 82 12.031 8.869 -11.509 1.00 0.00 N ATOM 1095 NH2 ARG A 82 12.887 10.967 -11.881 1.00 0.00 N ATOM 0 H ARG A 82 10.531 11.347 -5.978 1.00 0.00 H new ATOM 0 HA ARG A 82 10.099 8.844 -4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.821 8.061 -6.286 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.249 8.560 -6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.198 10.779 -7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.772 10.253 -6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.865 8.492 -8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.197 8.766 -9.066 1.00 0.00 H new ATOM 0 HE ARG A 82 12.902 11.130 -9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.717 8.143 -10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.994 8.710 -12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.233 11.858 -11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.848 10.802 -12.887 1.00 0.00 H new ATOM 1109 N TRP A 83 12.105 8.715 -3.137 1.00 0.00 N ATOM 1110 CA TRP A 83 13.229 8.665 -2.207 1.00 0.00 C ATOM 1111 C TRP A 83 14.344 7.778 -2.752 1.00 0.00 C ATOM 1112 O TRP A 83 15.511 7.926 -2.387 1.00 0.00 O ATOM 1113 CB TRP A 83 12.756 8.137 -0.853 1.00 0.00 C ATOM 1114 CG TRP A 83 13.640 8.549 0.285 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.605 7.797 0.890 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.635 9.811 0.955 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.201 8.519 1.896 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.619 9.757 1.960 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.891 10.980 0.804 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.879 10.832 2.804 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.148 12.047 1.644 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.130 11.966 2.635 1.00 0.00 C ATOM 0 H TRP A 83 11.355 8.057 -2.924 1.00 0.00 H new ATOM 0 HA TRP A 83 13.623 9.674 -2.084 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.743 8.494 -0.665 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.708 7.049 -0.892 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.862 6.784 0.618 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.955 8.187 2.498 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.127 11.051 0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.644 10.774 3.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.580 12.959 1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.302 12.815 3.281 1.00 0.00 H new ATOM 1133 N GLY A 84 13.972 6.853 -3.623 1.00 0.00 N ATOM 1134 CA GLY A 84 14.937 5.947 -4.206 1.00 0.00 C ATOM 1135 C GLY A 84 14.314 4.621 -4.567 1.00 0.00 C ATOM 1136 O GLY A 84 13.093 4.484 -4.558 1.00 0.00 O ATOM 0 H GLY A 84 13.012 6.714 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.369 6.401 -5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.754 5.785 -3.503 1.00 0.00 H new ATOM 1140 N THR A 85 15.144 3.650 -4.893 1.00 0.00 N ATOM 1141 CA THR A 85 14.663 2.331 -5.252 1.00 0.00 C ATOM 1142 C THR A 85 14.702 1.393 -4.044 1.00 0.00 C ATOM 1143 O THR A 85 15.693 1.345 -3.317 1.00 0.00 O ATOM 1144 CB THR A 85 15.503 1.739 -6.398 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.726 2.743 -7.397 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.806 0.545 -7.029 1.00 0.00 C ATOM 0 H THR A 85 16.159 3.751 -4.917 1.00 0.00 H new ATOM 0 HA THR A 85 13.631 2.431 -5.587 1.00 0.00 H new ATOM 0 HB THR A 85 16.455 1.404 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.262 2.366 -8.126 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.423 0.148 -7.835 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.653 -0.227 -6.275 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.842 0.857 -7.430 1.00 0.00 H new ATOM 1154 N VAL A 86 13.617 0.665 -3.822 1.00 0.00 N ATOM 1155 CA VAL A 86 13.535 -0.270 -2.710 1.00 0.00 C ATOM 1156 C VAL A 86 13.547 -1.696 -3.242 1.00 0.00 C ATOM 1157 O VAL A 86 13.007 -1.969 -4.314 1.00 0.00 O ATOM 1158 CB VAL A 86 12.258 -0.059 -1.865 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.481 -0.539 -0.441 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.820 1.400 -1.883 1.00 0.00 C ATOM 0 H VAL A 86 12.778 0.705 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 86 14.398 -0.091 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 86 11.456 -0.650 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.573 -0.384 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.730 -1.600 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.301 0.022 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.919 1.517 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.615 2.024 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.612 1.705 -2.909 1.00 0.00 H new ATOM 1170 N ASP A 87 14.166 -2.599 -2.505 1.00 0.00 N ATOM 1171 CA ASP A 87 14.243 -3.988 -2.922 1.00 0.00 C ATOM 1172 C ASP A 87 13.873 -4.922 -1.779 1.00 0.00 C ATOM 1173 O ASP A 87 14.253 -4.695 -0.628 1.00 0.00 O ATOM 1174 CB ASP A 87 15.649 -4.312 -3.429 1.00 0.00 C ATOM 1175 CG ASP A 87 15.801 -5.767 -3.805 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.485 -6.126 -4.954 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.232 -6.561 -2.948 1.00 0.00 O ATOM 0 H ASP A 87 14.623 -2.397 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 87 13.529 -4.138 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.873 -3.690 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.378 -4.060 -2.659 1.00 0.00 H new ATOM 1182 N CYS A 88 13.121 -5.965 -2.099 1.00 0.00 N ATOM 1183 CA CYS A 88 12.705 -6.949 -1.109 1.00 0.00 C ATOM 1184 C CYS A 88 13.155 -8.354 -1.515 1.00 0.00 C ATOM 1185 O CYS A 88 12.488 -9.342 -1.207 1.00 0.00 O ATOM 1186 CB CYS A 88 11.181 -6.929 -0.924 1.00 0.00 C ATOM 1187 SG CYS A 88 10.557 -5.549 0.092 1.00 0.00 S ATOM 0 H CYS A 88 12.784 -6.153 -3.043 1.00 0.00 H new ATOM 0 HA CYS A 88 13.179 -6.686 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.710 -6.882 -1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.871 -7.869 -0.466 1.00 0.00 H new ATOM 1192 N THR A 89 14.290 -8.445 -2.202 1.00 0.00 N ATOM 1193 CA THR A 89 14.812 -9.737 -2.633 1.00 0.00 C ATOM 1194 C THR A 89 15.456 -10.465 -1.456 1.00 0.00 C ATOM 1195 O THR A 89 15.475 -11.694 -1.401 1.00 0.00 O ATOM 1196 CB THR A 89 15.827 -9.580 -3.784 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.268 -8.743 -4.809 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.184 -10.931 -4.384 1.00 0.00 C ATOM 0 H THR A 89 14.863 -7.645 -2.471 1.00 0.00 H new ATOM 0 HA THR A 89 13.975 -10.329 -3.004 1.00 0.00 H new ATOM 0 HB THR A 89 16.732 -9.126 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.788 -7.915 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.901 -10.792 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.624 -11.566 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.284 -11.405 -4.775 1.00 0.00 H new ATOM 1206 N THR A 90 15.967 -9.697 -0.504 1.00 0.00 N ATOM 1207 CA THR A 90 16.580 -10.269 0.683 1.00 0.00 C ATOM 1208 C THR A 90 15.997 -9.614 1.939 1.00 0.00 C ATOM 1209 O THR A 90 16.553 -9.711 3.032 1.00 0.00 O ATOM 1210 CB THR A 90 18.126 -10.138 0.654 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.717 -11.004 1.629 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.572 -8.707 0.912 1.00 0.00 C ATOM 0 H THR A 90 15.969 -8.677 -0.532 1.00 0.00 H new ATOM 0 HA THR A 90 16.352 -11.335 0.701 1.00 0.00 H new ATOM 0 HB THR A 90 18.459 -10.427 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.266 -10.882 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.660 -8.654 0.884 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.157 -8.053 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.218 -8.387 1.892 1.00 0.00 H new ATOM 1220 N ALA A 91 14.846 -8.975 1.768 1.00 0.00 N ATOM 1221 CA ALA A 91 14.167 -8.296 2.858 1.00 0.00 C ATOM 1222 C ALA A 91 12.665 -8.530 2.765 1.00 0.00 C ATOM 1223 O ALA A 91 12.188 -9.190 1.839 1.00 0.00 O ATOM 1224 CB ALA A 91 14.475 -6.804 2.827 1.00 0.00 C ATOM 0 H ALA A 91 14.361 -8.915 0.873 1.00 0.00 H new ATOM 0 HA ALA A 91 14.527 -8.703 3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.959 -6.309 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.550 -6.652 2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.137 -6.382 1.880 1.00 0.00 H new ATOM 1230 N ALA A 92 11.927 -7.988 3.721 1.00 0.00 N ATOM 1231 CA ALA A 92 10.479 -8.135 3.745 1.00 0.00 C ATOM 1232 C ALA A 92 9.799 -6.838 3.329 1.00 0.00 C ATOM 1233 O ALA A 92 10.236 -5.751 3.705 1.00 0.00 O ATOM 1234 CB ALA A 92 10.012 -8.556 5.131 1.00 0.00 C ATOM 0 H ALA A 92 12.308 -7.441 4.493 1.00 0.00 H new ATOM 0 HA ALA A 92 10.202 -8.912 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.927 -8.662 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.470 -9.509 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.304 -7.799 5.859 1.00 0.00 H new ATOM 1240 N CYS A 93 8.734 -6.958 2.555 1.00 0.00 N ATOM 1241 CA CYS A 93 7.989 -5.799 2.082 1.00 0.00 C ATOM 1242 C CYS A 93 6.758 -5.580 2.961 1.00 0.00 C ATOM 1243 O CYS A 93 6.597 -6.247 3.982 1.00 0.00 O ATOM 1244 CB CYS A 93 7.569 -5.999 0.620 1.00 0.00 C ATOM 1245 SG CYS A 93 8.677 -5.228 -0.610 1.00 0.00 S ATOM 0 H CYS A 93 8.362 -7.853 2.238 1.00 0.00 H new ATOM 0 HA CYS A 93 8.628 -4.918 2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.512 -7.068 0.416 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.565 -5.595 0.487 1.00 0.00 H new ATOM 1250 N GLN A 94 5.906 -4.636 2.583 1.00 0.00 N ATOM 1251 CA GLN A 94 4.692 -4.352 3.339 1.00 0.00 C ATOM 1252 C GLN A 94 3.655 -3.695 2.435 1.00 0.00 C ATOM 1253 O GLN A 94 3.965 -3.303 1.307 1.00 0.00 O ATOM 1254 CB GLN A 94 4.995 -3.447 4.540 1.00 0.00 C ATOM 1255 CG GLN A 94 5.577 -2.098 4.157 1.00 0.00 C ATOM 1256 CD GLN A 94 6.911 -1.818 4.824 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.257 -0.667 5.077 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.676 -2.862 5.103 1.00 0.00 N ATOM 0 H GLN A 94 6.033 -4.053 1.756 1.00 0.00 H new ATOM 0 HA GLN A 94 4.293 -5.294 3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.077 -3.289 5.105 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.693 -3.959 5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.702 -2.056 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.870 -1.313 4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.355 -3.804 4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.586 -2.724 5.543 1.00 0.00 H new ATOM 1267 N VAL A 95 2.431 -3.592 2.917 1.00 0.00 N ATOM 1268 CA VAL A 95 1.364 -2.978 2.144 1.00 0.00 C ATOM 1269 C VAL A 95 0.951 -1.645 2.766 1.00 0.00 C ATOM 1270 O VAL A 95 0.636 -1.567 3.956 1.00 0.00 O ATOM 1271 CB VAL A 95 0.144 -3.926 2.002 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.368 -4.389 3.360 1.00 0.00 C ATOM 1273 CG2 VAL A 95 -0.966 -3.261 1.197 1.00 0.00 C ATOM 0 H VAL A 95 2.149 -3.925 3.839 1.00 0.00 H new ATOM 0 HA VAL A 95 1.746 -2.788 1.141 1.00 0.00 H new ATOM 0 HB VAL A 95 0.475 -4.812 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.223 -5.051 3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.424 -4.924 3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.672 -3.523 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.811 -3.944 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.286 -2.350 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.596 -3.013 0.202 1.00 0.00 H new ATOM 1283 N GLY A 96 0.982 -0.596 1.957 1.00 0.00 N ATOM 1284 CA GLY A 96 0.615 0.721 2.425 1.00 0.00 C ATOM 1285 C GLY A 96 -0.785 1.086 1.999 1.00 0.00 C ATOM 1286 O GLY A 96 -1.112 1.023 0.813 1.00 0.00 O ATOM 0 H GLY A 96 1.258 -0.637 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.687 0.756 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.319 1.456 2.035 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.611 1.453 2.962 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.994 1.813 2.694 1.00 0.00 C ATOM 1292 C LEU A 97 -3.380 3.056 3.488 1.00 0.00 C ATOM 1293 O LEU A 97 -3.412 3.030 4.718 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.923 0.640 3.051 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.244 -0.553 3.743 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.173 -0.340 5.249 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.978 -1.845 3.424 1.00 0.00 C ATOM 0 H LEU A 97 -1.346 1.510 3.945 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.101 2.034 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.716 1.011 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.399 0.285 2.137 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.226 -0.629 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.688 -1.198 5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.599 0.561 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.181 -0.231 5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.482 -2.678 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.008 -1.774 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.971 -2.011 2.347 1.00 0.00 H new ATOM 1309 N SER A 98 -3.651 4.148 2.786 1.00 0.00 N ATOM 1310 CA SER A 98 -4.028 5.392 3.440 1.00 0.00 C ATOM 1311 C SER A 98 -4.990 6.198 2.573 1.00 0.00 C ATOM 1312 O SER A 98 -5.161 5.916 1.387 1.00 0.00 O ATOM 1313 CB SER A 98 -2.778 6.216 3.757 1.00 0.00 C ATOM 1314 OG SER A 98 -1.883 5.485 4.579 1.00 0.00 O ATOM 0 H SER A 98 -3.617 4.197 1.768 1.00 0.00 H new ATOM 0 HA SER A 98 -4.539 5.149 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.279 6.497 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.065 7.141 4.258 1.00 0.00 H new ATOM 0 HG SER A 98 -1.091 6.031 4.767 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.627 7.189 3.179 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.569 8.046 2.471 1.00 0.00 C ATOM 1322 C ASP A 99 -5.840 9.212 1.811 1.00 0.00 C ATOM 1323 O ASP A 99 -4.609 9.262 1.818 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.639 8.563 3.437 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.208 9.807 4.195 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.232 9.737 4.972 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.847 10.862 4.013 1.00 0.00 O ATOM 0 H ASP A 99 -5.508 7.421 4.165 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.055 7.460 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.549 8.783 2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.885 7.777 4.151 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.600 10.147 1.252 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.030 11.314 0.587 1.00 0.00 C ATOM 1334 C ALA A 100 -5.240 12.189 1.561 1.00 0.00 C ATOM 1335 O ALA A 100 -4.285 12.861 1.169 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.128 12.121 -0.090 1.00 0.00 C ATOM 0 H ALA A 100 -7.620 10.119 1.246 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.332 10.959 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.690 12.989 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.633 11.500 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.849 12.453 0.657 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.644 12.184 2.826 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.960 12.966 3.844 1.00 0.00 C ATOM 1344 C ALA A 101 -3.632 12.317 4.201 1.00 0.00 C ATOM 1345 O ALA A 101 -2.617 12.993 4.347 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.830 13.114 5.083 1.00 0.00 C ATOM 0 H ALA A 101 -6.441 11.647 3.169 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.766 13.961 3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.300 13.702 5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.759 13.618 4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.056 12.128 5.489 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.650 11.000 4.341 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.440 10.274 4.663 1.00 0.00 C ATOM 1354 C GLY A 102 -2.558 9.475 5.940 1.00 0.00 C ATOM 1355 O GLY A 102 -1.552 9.182 6.589 1.00 0.00 O ATOM 0 H GLY A 102 -4.483 10.420 4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.196 9.602 3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.613 10.978 4.756 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.777 9.109 6.305 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.003 8.332 7.516 1.00 0.00 C ATOM 1361 C ASN A 103 -4.992 7.211 7.243 1.00 0.00 C ATOM 1362 O ASN A 103 -5.512 7.089 6.130 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.521 9.221 8.652 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.466 10.178 9.174 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.462 9.767 9.758 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.692 11.465 8.978 1.00 0.00 N ATOM 0 H ASN A 103 -4.623 9.336 5.783 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.050 7.902 7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.380 9.791 8.299 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.871 8.591 9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.023 12.157 9.315 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.535 11.766 8.490 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.238 6.387 8.248 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.165 5.288 8.097 1.00 0.00 C ATOM 1375 C GLY A 104 -5.726 4.073 8.888 1.00 0.00 C ATOM 1376 O GLY A 104 -5.220 4.212 10.003 1.00 0.00 O ATOM 0 H GLY A 104 -4.809 6.461 9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.156 5.599 8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.249 5.025 7.043 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.898 2.864 8.334 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.503 1.625 9.009 1.00 0.00 C ATOM 1382 C PRO A 105 -3.987 1.510 9.158 1.00 0.00 C ATOM 1383 O PRO A 105 -3.231 2.242 8.514 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.036 0.522 8.088 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.169 1.165 6.750 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.486 2.611 7.004 1.00 0.00 C ATOM 0 HA PRO A 105 -5.898 1.572 10.024 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.352 -0.326 8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.995 0.143 8.441 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.247 1.064 6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.959 0.691 6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.049 3.257 6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.561 2.793 6.999 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.545 0.601 10.014 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.121 0.401 10.238 1.00 0.00 C ATOM 1396 C GLU A 106 -1.533 -0.483 9.142 1.00 0.00 C ATOM 1397 O GLU A 106 -2.196 -1.394 8.645 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.875 -0.220 11.613 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.481 0.048 12.155 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.242 -0.605 13.496 1.00 0.00 C ATOM 1401 OE1 GLU A 106 0.210 -1.769 13.521 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.504 0.039 14.534 1.00 0.00 O ATOM 0 H GLU A 106 -4.150 -0.009 10.564 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.626 1.372 10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.611 0.169 12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.032 -1.297 11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.258 -0.316 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.332 1.124 12.248 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.289 -0.206 8.769 1.00 0.00 N ATOM 1410 CA GLY A 107 0.368 -0.974 7.729 1.00 0.00 C ATOM 1411 C GLY A 107 0.769 -2.362 8.185 1.00 0.00 C ATOM 1412 O GLY A 107 1.179 -2.555 9.334 1.00 0.00 O ATOM 0 H GLY A 107 0.278 0.540 9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.298 -1.058 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.255 -0.437 7.393 1.00 0.00 H new ATOM 1416 N VAL A 108 0.661 -3.330 7.283 1.00 0.00 N ATOM 1417 CA VAL A 108 1.006 -4.713 7.587 1.00 0.00 C ATOM 1418 C VAL A 108 2.161 -5.179 6.706 1.00 0.00 C ATOM 1419 O VAL A 108 2.167 -4.933 5.497 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.207 -5.655 7.389 1.00 0.00 C ATOM 1421 CG1 VAL A 108 0.151 -7.091 7.748 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.391 -5.181 8.218 1.00 0.00 C ATOM 0 H VAL A 108 0.335 -3.181 6.328 1.00 0.00 H new ATOM 0 HA VAL A 108 1.307 -4.753 8.634 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.485 -5.628 6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.719 -7.731 7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.966 -7.433 7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.463 -7.138 8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.234 -5.855 8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.117 -5.174 9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.671 -4.174 7.909 1.00 0.00 H new ATOM 1432 N ALA A 109 3.138 -5.840 7.316 1.00 0.00 N ATOM 1433 CA ALA A 109 4.298 -6.339 6.589 1.00 0.00 C ATOM 1434 C ALA A 109 3.993 -7.673 5.915 1.00 0.00 C ATOM 1435 O ALA A 109 3.175 -8.456 6.401 1.00 0.00 O ATOM 1436 CB ALA A 109 5.487 -6.490 7.531 1.00 0.00 C ATOM 0 H ALA A 109 3.149 -6.043 8.316 1.00 0.00 H new ATOM 0 HA ALA A 109 4.546 -5.614 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.347 -6.864 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.730 -5.521 7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.235 -7.193 8.325 1.00 0.00 H new ATOM 1442 N ILE A 110 4.651 -7.920 4.793 1.00 0.00 N ATOM 1443 CA ILE A 110 4.470 -9.155 4.045 1.00 0.00 C ATOM 1444 C ILE A 110 5.828 -9.749 3.673 1.00 0.00 C ATOM 1445 O ILE A 110 6.619 -9.136 2.951 1.00 0.00 O ATOM 1446 CB ILE A 110 3.620 -8.939 2.768 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.143 -7.756 1.947 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.157 -8.732 3.131 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.430 -7.568 0.624 1.00 0.00 C ATOM 0 H ILE A 110 5.322 -7.274 4.377 1.00 0.00 H new ATOM 0 HA ILE A 110 3.931 -9.851 4.688 1.00 0.00 H new ATOM 0 HB ILE A 110 3.703 -9.835 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.043 -6.844 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.207 -7.898 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.574 -8.582 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.785 -9.610 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.062 -7.856 3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.855 -6.712 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.552 -8.464 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.369 -7.393 0.804 1.00 0.00 H new ATOM 1461 N SER A 111 6.110 -10.930 4.195 1.00 0.00 N ATOM 1462 CA SER A 111 7.369 -11.600 3.923 1.00 0.00 C ATOM 1463 C SER A 111 7.168 -12.723 2.916 1.00 0.00 C ATOM 1464 O SER A 111 6.139 -13.401 2.928 1.00 0.00 O ATOM 1465 CB SER A 111 7.957 -12.151 5.221 1.00 0.00 C ATOM 1466 OG SER A 111 7.958 -11.161 6.236 1.00 0.00 O ATOM 0 H SER A 111 5.482 -11.446 4.811 1.00 0.00 H new ATOM 0 HA SER A 111 8.066 -10.878 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.378 -13.014 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.975 -12.498 5.045 1.00 0.00 H new ATOM 0 HG SER A 111 8.337 -11.536 7.058 1.00 0.00 H new ATOM 1472 N PHE A 112 8.146 -12.906 2.046 1.00 0.00 N ATOM 1473 CA PHE A 112 8.087 -13.949 1.031 1.00 0.00 C ATOM 1474 C PHE A 112 8.708 -15.231 1.577 1.00 0.00 C ATOM 1475 O PHE A 112 9.252 -15.237 2.685 1.00 0.00 O ATOM 1476 CB PHE A 112 8.824 -13.498 -0.233 1.00 0.00 C ATOM 1477 CG PHE A 112 8.431 -12.124 -0.706 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.378 -11.953 -1.588 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.121 -11.004 -0.271 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.020 -10.693 -2.028 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.766 -9.742 -0.706 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.715 -9.587 -1.585 1.00 0.00 C ATOM 0 H PHE A 112 8.996 -12.343 2.021 1.00 0.00 H new ATOM 0 HA PHE A 112 7.045 -14.140 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.897 -13.514 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.632 -14.216 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.829 -12.815 -1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.946 -11.119 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.197 -10.574 -2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.311 -8.877 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.436 -8.601 -1.926 1.00 0.00 H new ATOM 1492 N ASN A 113 8.619 -16.314 0.819 1.00 0.00 N ATOM 1493 CA ASN A 113 9.195 -17.577 1.257 1.00 0.00 C ATOM 1494 C ASN A 113 10.636 -17.666 0.778 1.00 0.00 C ATOM 1495 O ASN A 113 11.493 -18.126 1.556 1.00 0.00 O ATOM 1496 CB ASN A 113 8.379 -18.781 0.757 1.00 0.00 C ATOM 1497 CG ASN A 113 8.226 -18.818 -0.752 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.119 -19.258 -1.473 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.077 -18.375 -1.235 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.910 -17.233 -0.362 1.00 0.00 O ATOM 0 H ASN A 113 8.160 -16.345 -0.091 1.00 0.00 H new ATOM 0 HA ASN A 113 9.171 -17.607 2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.861 -19.701 1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.390 -18.756 1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.906 -18.391 -2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.362 -18.018 -0.602 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.442 5.730 4.516 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.929 6.976 4.144 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.104 7.335 2.798 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.752 6.344 1.743 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.244 5.055 2.210 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.107 4.798 3.536 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.611 3.564 4.242 1.00 20.00 C HETATM 1515 C2' FLN A 114 2.404 3.589 4.941 1.00 20.00 C HETATM 1516 C3' FLN A 114 1.952 2.439 5.593 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.666 1.232 5.583 1.00 20.00 C HETATM 1518 C5' FLN A 114 3.872 1.250 4.874 1.00 20.00 C HETATM 1519 C6' FLN A 114 4.347 2.380 4.214 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.888 6.610 0.542 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.611 8.624 2.486 1.00 20.00 C HETATM 1522 C6 FLN A 114 5.926 9.517 3.526 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.737 9.119 4.867 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.242 7.852 5.178 1.00 20.00 C HETATM 0 H8 FLN A 114 5.103 7.553 6.217 1.00 20.00 H new HETATM 0 H7 FLN A 114 5.981 9.812 5.672 1.00 20.00 H new HETATM 0 H6' FLN A 114 5.294 2.339 3.676 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.314 10.510 3.298 1.00 20.00 H new HETATM 0 H5' FLN A 114 4.467 0.337 4.837 1.00 20.00 H new HETATM 0 H5 FLN A 114 5.755 8.920 1.447 1.00 20.00 H new HETATM 0 H4' FLN A 114 2.305 0.339 6.094 1.00 20.00 H new HETATM 0 H3' FLN A 114 1.005 2.482 6.132 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.971 4.290 1.483 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.814 4.505 4.978 1.00 20.00 H new