USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -143:sc= -0.733 (180deg=-1.29) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.27 (180deg=1.22) USER MOD Single : A 8 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -130:sc= -0.476 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= -1.06 (180deg=-3.42!) USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= -0.787 (180deg=-2.79!) USER MOD Single : A 34 GLN : amide:sc= 0.318 K(o=0.32,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= -0.0041 (180deg=-0.0797) USER MOD Single : A 52 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.0048) USER MOD Single : A 55 THR OG1 : rot -62:sc= -0.188 USER MOD Single : A 57 GLN : amide:sc= -1.55 K(o=-1.5,f=-3.4!) USER MOD Single : A 58 ASN : amide:sc= -0.577! C(o=-0.58!,f=-1.4!) USER MOD Single : A 59 CYS SG : rot 81:sc= 0.508 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.42) USER MOD Single : A 68 HIS : no HD1:sc= -1.04 K(o=-1,f=-1.6) USER MOD Single : A 71 GLN : amide:sc= -4.28! C(o=-4.3!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.997 -0.638 0.434 1.00 0.00 N ATOM 2 CA MET A 1 2.215 -1.184 -0.182 1.00 0.00 C ATOM 3 C MET A 1 1.853 -2.109 -1.331 1.00 0.00 C ATOM 4 O MET A 1 1.113 -3.077 -1.154 1.00 0.00 O ATOM 5 CB MET A 1 3.049 -1.934 0.864 1.00 0.00 C ATOM 6 CG MET A 1 4.383 -2.444 0.345 1.00 0.00 C ATOM 7 SD MET A 1 5.394 -3.188 1.643 1.00 0.00 S ATOM 8 CE MET A 1 6.877 -3.595 0.726 1.00 0.00 C ATOM 0 H1 MET A 1 1.237 0.213 0.982 1.00 0.00 H new ATOM 0 H2 MET A 1 0.313 -0.390 -0.309 1.00 0.00 H new ATOM 0 H3 MET A 1 0.578 -1.350 1.066 1.00 0.00 H new ATOM 0 HA MET A 1 2.809 -0.358 -0.573 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.230 -1.272 1.711 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.470 -2.779 1.237 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.206 -3.180 -0.439 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.931 -1.619 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.279 -4.542 1.087 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.637 -3.683 -0.334 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.619 -2.809 0.866 1.00 0.00 H new ATOM 20 N ILE A 2 2.363 -1.801 -2.504 1.00 0.00 N ATOM 21 CA ILE A 2 2.110 -2.605 -3.685 1.00 0.00 C ATOM 22 C ILE A 2 3.345 -3.416 -4.026 1.00 0.00 C ATOM 23 O ILE A 2 4.367 -2.862 -4.431 1.00 0.00 O ATOM 24 CB ILE A 2 1.728 -1.721 -4.906 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.386 -1.020 -4.680 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.695 -2.544 -6.195 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.803 -1.946 -4.718 1.00 0.00 C ATOM 0 H ILE A 2 2.962 -0.992 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 2 1.273 -3.267 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 2 2.497 -0.956 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.410 -0.515 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.258 -0.249 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.425 -1.899 -7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.678 -2.979 -6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.958 -3.341 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.715 -1.374 -4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.854 -2.432 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.700 -2.702 -3.940 1.00 0.00 H new ATOM 39 N VAL A 3 3.260 -4.715 -3.846 1.00 0.00 N ATOM 40 CA VAL A 3 4.371 -5.592 -4.156 1.00 0.00 C ATOM 41 C VAL A 3 4.034 -6.456 -5.355 1.00 0.00 C ATOM 42 O VAL A 3 2.863 -6.752 -5.606 1.00 0.00 O ATOM 43 CB VAL A 3 4.757 -6.491 -2.951 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.174 -5.643 -1.764 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.614 -7.415 -2.563 1.00 0.00 C ATOM 0 H VAL A 3 2.432 -5.190 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 3 5.229 -4.961 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 3 5.602 -7.108 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.441 -6.291 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.034 -5.032 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.347 -4.996 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.916 -8.031 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.743 -6.820 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.362 -8.057 -3.407 1.00 0.00 H new ATOM 55 N PHE A 4 5.039 -6.844 -6.103 1.00 0.00 N ATOM 56 CA PHE A 4 4.826 -7.676 -7.264 1.00 0.00 C ATOM 57 C PHE A 4 5.062 -9.127 -6.909 1.00 0.00 C ATOM 58 O PHE A 4 6.033 -9.461 -6.222 1.00 0.00 O ATOM 59 CB PHE A 4 5.729 -7.243 -8.419 1.00 0.00 C ATOM 60 CG PHE A 4 5.456 -5.842 -8.892 1.00 0.00 C ATOM 61 CD1 PHE A 4 6.353 -4.819 -8.632 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.298 -5.548 -9.590 1.00 0.00 C ATOM 63 CE1 PHE A 4 6.100 -3.531 -9.061 1.00 0.00 C ATOM 64 CE2 PHE A 4 4.039 -4.261 -10.023 1.00 0.00 C ATOM 65 CZ PHE A 4 4.941 -3.251 -9.757 1.00 0.00 C ATOM 0 H PHE A 4 6.013 -6.597 -5.929 1.00 0.00 H new ATOM 0 HA PHE A 4 3.793 -7.560 -7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.770 -7.317 -8.105 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.598 -7.933 -9.253 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.261 -5.031 -8.087 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.587 -6.334 -9.799 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.808 -2.743 -8.852 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.132 -4.046 -10.569 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.741 -2.244 -10.092 1.00 0.00 H new ATOM 75 N VAL A 5 4.180 -9.988 -7.364 1.00 0.00 N ATOM 76 CA VAL A 5 4.267 -11.388 -7.038 1.00 0.00 C ATOM 77 C VAL A 5 3.994 -12.279 -8.260 1.00 0.00 C ATOM 78 O VAL A 5 3.080 -12.025 -9.053 1.00 0.00 O ATOM 79 CB VAL A 5 3.298 -11.735 -5.870 1.00 0.00 C ATOM 80 CG1 VAL A 5 1.887 -11.309 -6.185 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.340 -13.206 -5.520 1.00 0.00 C ATOM 0 H VAL A 5 3.393 -9.739 -7.963 1.00 0.00 H new ATOM 0 HA VAL A 5 5.289 -11.589 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 5 3.640 -11.176 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.235 -11.565 -5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.860 -10.232 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.544 -11.822 -7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.649 -13.405 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.050 -13.795 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.351 -13.479 -5.217 1.00 0.00 H new ATOM 91 N ARG A 6 4.820 -13.296 -8.409 1.00 0.00 N ATOM 92 CA ARG A 6 4.709 -14.265 -9.476 1.00 0.00 C ATOM 93 C ARG A 6 4.199 -15.580 -8.931 1.00 0.00 C ATOM 94 O ARG A 6 4.906 -16.271 -8.198 1.00 0.00 O ATOM 95 CB ARG A 6 6.071 -14.494 -10.139 1.00 0.00 C ATOM 96 CG ARG A 6 6.576 -13.325 -10.944 1.00 0.00 C ATOM 97 CD ARG A 6 7.916 -13.633 -11.592 1.00 0.00 C ATOM 98 NE ARG A 6 7.875 -14.856 -12.406 1.00 0.00 N ATOM 99 CZ ARG A 6 8.008 -14.886 -13.737 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.116 -13.754 -14.428 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 8.008 -16.051 -14.376 1.00 0.00 N ATOM 0 H ARG A 6 5.602 -13.473 -7.778 1.00 0.00 H new ATOM 0 HA ARG A 6 4.010 -13.877 -10.217 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.802 -14.730 -9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.002 -15.365 -10.790 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.848 -13.071 -11.714 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.675 -12.453 -10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.216 -12.793 -12.218 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.675 -13.740 -10.817 1.00 0.00 H new ATOM 0 HE ARG A 6 7.735 -15.743 -11.923 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.098 -12.857 -13.943 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.217 -13.783 -15.443 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.907 -16.920 -13.852 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.109 -16.076 -15.391 1.00 0.00 H new ATOM 115 N PHE A 7 2.979 -15.912 -9.262 1.00 0.00 N ATOM 116 CA PHE A 7 2.409 -17.168 -8.843 1.00 0.00 C ATOM 117 C PHE A 7 2.736 -18.238 -9.880 1.00 0.00 C ATOM 118 O PHE A 7 2.929 -17.922 -11.051 1.00 0.00 O ATOM 119 CB PHE A 7 0.892 -17.038 -8.650 1.00 0.00 C ATOM 120 CG PHE A 7 0.251 -18.248 -8.030 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.327 -18.458 -6.665 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.427 -19.171 -8.810 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.257 -19.565 -6.088 1.00 0.00 C ATOM 124 CE2 PHE A 7 -1.014 -20.283 -8.240 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.928 -20.481 -6.876 1.00 0.00 C ATOM 0 H PHE A 7 2.358 -15.329 -9.823 1.00 0.00 H new ATOM 0 HA PHE A 7 2.839 -17.457 -7.884 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.688 -16.170 -8.023 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.427 -16.848 -9.618 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.850 -17.746 -6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.497 -19.019 -9.877 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.190 -19.717 -5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.539 -20.996 -8.859 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.384 -21.350 -6.426 1.00 0.00 H new ATOM 135 N ASN A 8 2.825 -19.487 -9.428 1.00 0.00 N ATOM 136 CA ASN A 8 3.138 -20.645 -10.294 1.00 0.00 C ATOM 137 C ASN A 8 2.417 -20.583 -11.647 1.00 0.00 C ATOM 138 O ASN A 8 3.028 -20.775 -12.691 1.00 0.00 O ATOM 139 CB ASN A 8 2.760 -21.950 -9.575 1.00 0.00 C ATOM 140 CG ASN A 8 3.038 -23.194 -10.409 1.00 0.00 C ATOM 141 OD1 ASN A 8 4.123 -23.770 -10.341 1.00 0.00 O ATOM 142 ND2 ASN A 8 2.058 -23.622 -11.193 1.00 0.00 N ATOM 0 H ASN A 8 2.683 -19.736 -8.449 1.00 0.00 H new ATOM 0 HA ASN A 8 4.209 -20.615 -10.492 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.315 -22.016 -8.639 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.701 -21.922 -9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.190 -24.455 -11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.172 -23.118 -11.223 1.00 0.00 H new ATOM 188 N GLY A 12 3.018 -12.168 -13.381 1.00 0.00 N ATOM 189 CA GLY A 12 3.532 -11.226 -12.410 1.00 0.00 C ATOM 190 C GLY A 12 2.526 -10.142 -12.115 1.00 0.00 C ATOM 191 O GLY A 12 2.420 -9.162 -12.857 1.00 0.00 O ATOM 0 HA2 GLY A 12 3.785 -11.751 -11.489 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.453 -10.779 -12.785 1.00 0.00 H new ATOM 195 N PHE A 13 1.792 -10.305 -11.039 1.00 0.00 N ATOM 196 CA PHE A 13 0.743 -9.368 -10.685 1.00 0.00 C ATOM 197 C PHE A 13 1.055 -8.654 -9.379 1.00 0.00 C ATOM 198 O PHE A 13 1.717 -9.206 -8.504 1.00 0.00 O ATOM 199 CB PHE A 13 -0.614 -10.090 -10.597 1.00 0.00 C ATOM 200 CG PHE A 13 -0.628 -11.283 -9.670 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.043 -11.157 -8.354 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.235 -12.533 -10.122 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.063 -12.250 -7.510 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.251 -13.626 -9.282 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.666 -13.484 -7.974 1.00 0.00 C ATOM 0 H PHE A 13 1.901 -11.082 -10.387 1.00 0.00 H new ATOM 0 HA PHE A 13 0.688 -8.614 -11.470 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.370 -9.378 -10.264 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.903 -10.418 -11.596 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.355 -10.192 -7.984 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.088 -12.652 -11.146 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.390 -12.137 -6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.061 -14.593 -9.648 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.679 -14.340 -7.315 1.00 0.00 H new ATOM 215 N PRO A 14 0.614 -7.397 -9.248 1.00 0.00 N ATOM 216 CA PRO A 14 0.801 -6.623 -8.034 1.00 0.00 C ATOM 217 C PRO A 14 -0.280 -6.914 -6.985 1.00 0.00 C ATOM 218 O PRO A 14 -1.475 -6.986 -7.302 1.00 0.00 O ATOM 219 CB PRO A 14 0.691 -5.183 -8.527 1.00 0.00 C ATOM 220 CG PRO A 14 -0.246 -5.250 -9.687 1.00 0.00 C ATOM 221 CD PRO A 14 -0.081 -6.622 -10.297 1.00 0.00 C ATOM 0 HA PRO A 14 1.744 -6.853 -7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.308 -4.525 -7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.663 -4.791 -8.826 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.275 -5.091 -9.364 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.017 -4.472 -10.415 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.044 -7.065 -10.549 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.502 -6.583 -11.217 1.00 0.00 H new ATOM 229 N VAL A 15 0.144 -7.093 -5.753 1.00 0.00 N ATOM 230 CA VAL A 15 -0.765 -7.330 -4.648 1.00 0.00 C ATOM 231 C VAL A 15 -0.686 -6.178 -3.652 1.00 0.00 C ATOM 232 O VAL A 15 0.408 -5.770 -3.242 1.00 0.00 O ATOM 233 CB VAL A 15 -0.476 -8.686 -3.935 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.238 -8.789 -2.624 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.865 -9.841 -4.838 1.00 0.00 C ATOM 0 H VAL A 15 1.129 -7.079 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.774 -7.387 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 15 0.592 -8.732 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.017 -9.745 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.936 -7.977 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.308 -8.719 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.660 -10.784 -4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.928 -9.778 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.287 -9.792 -5.761 1.00 0.00 H new ATOM 245 N GLU A 16 -1.838 -5.642 -3.287 1.00 0.00 N ATOM 246 CA GLU A 16 -1.905 -4.522 -2.374 1.00 0.00 C ATOM 247 C GLU A 16 -2.016 -4.993 -0.938 1.00 0.00 C ATOM 248 O GLU A 16 -3.026 -5.583 -0.536 1.00 0.00 O ATOM 249 CB GLU A 16 -3.083 -3.612 -2.716 1.00 0.00 C ATOM 250 CG GLU A 16 -3.192 -2.392 -1.816 1.00 0.00 C ATOM 251 CD GLU A 16 -4.373 -1.521 -2.154 1.00 0.00 C ATOM 252 OE1 GLU A 16 -5.522 -1.965 -1.956 1.00 0.00 O ATOM 253 OE2 GLU A 16 -4.165 -0.378 -2.608 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.746 -5.971 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.980 -3.955 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.988 -3.282 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.007 -4.187 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.271 -2.717 -0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.278 -1.804 -1.897 1.00 0.00 H new ATOM 260 N VAL A 17 -0.983 -4.732 -0.175 1.00 0.00 N ATOM 261 CA VAL A 17 -0.953 -5.093 1.224 1.00 0.00 C ATOM 262 C VAL A 17 -0.578 -3.889 2.068 1.00 0.00 C ATOM 263 O VAL A 17 -0.257 -2.817 1.536 1.00 0.00 O ATOM 264 CB VAL A 17 0.046 -6.246 1.508 1.00 0.00 C ATOM 265 CG1 VAL A 17 -0.415 -7.531 0.842 1.00 0.00 C ATOM 266 CG2 VAL A 17 1.450 -5.876 1.041 1.00 0.00 C ATOM 0 H VAL A 17 -0.139 -4.264 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.953 -5.438 1.487 1.00 0.00 H new ATOM 0 HB VAL A 17 0.077 -6.408 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.299 -8.327 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.395 -7.810 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.481 -7.379 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.132 -6.700 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.437 -5.680 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.786 -4.984 1.569 1.00 0.00 H new ATOM 276 N ASP A 18 -0.620 -4.058 3.369 1.00 0.00 N ATOM 277 CA ASP A 18 -0.263 -3.002 4.291 1.00 0.00 C ATOM 278 C ASP A 18 1.230 -3.041 4.537 1.00 0.00 C ATOM 279 O ASP A 18 1.895 -4.018 4.200 1.00 0.00 O ATOM 280 CB ASP A 18 -1.003 -3.171 5.625 1.00 0.00 C ATOM 281 CG ASP A 18 -2.508 -3.086 5.495 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.072 -2.015 5.805 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.137 -4.093 5.099 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.902 -4.929 3.819 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.548 -2.044 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.738 -4.135 6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.662 -2.404 6.320 1.00 0.00 H new ATOM 288 N SER A 19 1.757 -1.995 5.123 1.00 0.00 N ATOM 289 CA SER A 19 3.172 -1.940 5.418 1.00 0.00 C ATOM 290 C SER A 19 3.514 -2.894 6.565 1.00 0.00 C ATOM 291 O SER A 19 4.586 -3.509 6.590 1.00 0.00 O ATOM 292 CB SER A 19 3.577 -0.509 5.767 1.00 0.00 C ATOM 293 OG SER A 19 3.180 0.391 4.740 1.00 0.00 O ATOM 0 H SER A 19 1.230 -1.169 5.406 1.00 0.00 H new ATOM 0 HA SER A 19 3.730 -2.254 4.536 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.118 -0.216 6.711 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.657 -0.455 5.907 1.00 0.00 H new ATOM 0 HG SER A 19 3.447 1.302 4.983 1.00 0.00 H new ATOM 299 N ASP A 20 2.583 -3.042 7.489 1.00 0.00 N ATOM 300 CA ASP A 20 2.790 -3.898 8.647 1.00 0.00 C ATOM 301 C ASP A 20 2.324 -5.317 8.380 1.00 0.00 C ATOM 302 O ASP A 20 2.350 -6.165 9.275 1.00 0.00 O ATOM 303 CB ASP A 20 2.076 -3.335 9.882 1.00 0.00 C ATOM 304 CG ASP A 20 2.678 -2.033 10.368 1.00 0.00 C ATOM 305 OD1 ASP A 20 3.616 -2.076 11.190 1.00 0.00 O ATOM 306 OD2 ASP A 20 2.217 -0.955 9.928 1.00 0.00 O1- ATOM 0 H ASP A 20 1.674 -2.581 7.462 1.00 0.00 H new ATOM 0 HA ASP A 20 3.862 -3.922 8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.023 -3.177 9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.116 -4.070 10.686 1.00 0.00 H new ATOM 311 N THR A 21 1.899 -5.579 7.147 1.00 0.00 N ATOM 312 CA THR A 21 1.453 -6.905 6.763 1.00 0.00 C ATOM 313 C THR A 21 2.583 -7.909 6.908 1.00 0.00 C ATOM 314 O THR A 21 3.661 -7.735 6.343 1.00 0.00 O ATOM 315 CB THR A 21 0.923 -6.928 5.308 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.262 -6.137 5.220 1.00 0.00 O ATOM 317 CG2 THR A 21 0.618 -8.351 4.848 1.00 0.00 C ATOM 0 H THR A 21 1.856 -4.886 6.400 1.00 0.00 H new ATOM 0 HA THR A 21 0.636 -7.179 7.430 1.00 0.00 H new ATOM 0 HB THR A 21 1.697 -6.519 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.966 -6.651 4.771 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.248 -8.331 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.527 -8.951 4.894 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.139 -8.789 5.498 1.00 0.00 H new ATOM 325 N SER A 22 2.341 -8.935 7.689 1.00 0.00 N ATOM 326 CA SER A 22 3.316 -9.970 7.894 1.00 0.00 C ATOM 327 C SER A 22 3.301 -10.941 6.719 1.00 0.00 C ATOM 328 O SER A 22 2.263 -11.125 6.072 1.00 0.00 O ATOM 329 CB SER A 22 3.024 -10.704 9.199 1.00 0.00 C ATOM 330 OG SER A 22 2.915 -9.786 10.280 1.00 0.00 O ATOM 0 H SER A 22 1.467 -9.072 8.196 1.00 0.00 H new ATOM 0 HA SER A 22 4.307 -9.522 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.099 -11.272 9.103 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.818 -11.422 9.404 1.00 0.00 H new ATOM 0 HG SER A 22 2.726 -10.276 11.107 1.00 0.00 H new ATOM 336 N ILE A 23 4.447 -11.561 6.444 1.00 0.00 N ATOM 337 CA ILE A 23 4.564 -12.530 5.347 1.00 0.00 C ATOM 338 C ILE A 23 3.537 -13.661 5.527 1.00 0.00 C ATOM 339 O ILE A 23 3.053 -14.249 4.555 1.00 0.00 O ATOM 340 CB ILE A 23 6.003 -13.118 5.269 1.00 0.00 C ATOM 341 CG1 ILE A 23 7.047 -11.986 5.269 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.173 -13.997 4.028 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.885 -10.991 4.133 1.00 0.00 C ATOM 0 H ILE A 23 5.311 -11.412 6.965 1.00 0.00 H new ATOM 0 HA ILE A 23 4.360 -12.009 4.411 1.00 0.00 H new ATOM 0 HB ILE A 23 6.160 -13.741 6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.987 -11.451 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.043 -12.425 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.188 -14.394 4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.461 -14.822 4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.991 -13.402 3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.659 -10.227 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.976 -11.510 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.904 -10.521 4.198 1.00 0.00 H new ATOM 355 N PHE A 24 3.211 -13.932 6.790 1.00 0.00 N ATOM 356 CA PHE A 24 2.194 -14.907 7.174 1.00 0.00 C ATOM 357 C PHE A 24 0.875 -14.621 6.452 1.00 0.00 C ATOM 358 O PHE A 24 0.345 -15.477 5.737 1.00 0.00 O ATOM 359 CB PHE A 24 1.993 -14.826 8.695 1.00 0.00 C ATOM 360 CG PHE A 24 0.995 -15.789 9.256 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.306 -17.127 9.382 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.251 -15.352 9.670 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.398 -18.012 9.912 1.00 0.00 C ATOM 364 CE2 PHE A 24 -1.167 -16.235 10.198 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.843 -17.568 10.320 1.00 0.00 C ATOM 0 H PHE A 24 3.653 -13.473 7.586 1.00 0.00 H new ATOM 0 HA PHE A 24 2.521 -15.908 6.892 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.953 -14.997 9.182 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.681 -13.813 8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.274 -17.483 9.061 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.508 -14.307 9.578 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.656 -19.056 10.009 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.137 -15.883 10.516 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.558 -18.264 10.734 1.00 0.00 H new ATOM 375 N GLN A 25 0.370 -13.401 6.627 1.00 0.00 N ATOM 376 CA GLN A 25 -0.880 -12.980 6.008 1.00 0.00 C ATOM 377 C GLN A 25 -0.707 -12.748 4.521 1.00 0.00 C ATOM 378 O GLN A 25 -1.593 -13.059 3.740 1.00 0.00 O ATOM 379 CB GLN A 25 -1.415 -11.717 6.680 1.00 0.00 C ATOM 380 CG GLN A 25 -1.993 -11.960 8.060 1.00 0.00 C ATOM 381 CD GLN A 25 -3.264 -12.788 8.016 1.00 0.00 C ATOM 382 OE1 GLN A 25 -4.366 -12.247 7.931 1.00 0.00 O ATOM 383 NE2 GLN A 25 -3.124 -14.095 8.069 1.00 0.00 N ATOM 0 H GLN A 25 0.814 -12.683 7.199 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.603 -13.784 6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.609 -10.987 6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.184 -11.277 6.046 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.252 -12.469 8.677 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.202 -11.003 8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.193 -14.506 8.139 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.946 -14.698 8.040 1.00 0.00 H new ATOM 392 N LEU A 26 0.445 -12.205 4.136 1.00 0.00 N ATOM 393 CA LEU A 26 0.753 -11.957 2.725 1.00 0.00 C ATOM 394 C LEU A 26 0.580 -13.238 1.909 1.00 0.00 C ATOM 395 O LEU A 26 0.026 -13.222 0.808 1.00 0.00 O ATOM 396 CB LEU A 26 2.185 -11.421 2.588 1.00 0.00 C ATOM 397 CG LEU A 26 2.711 -11.247 1.159 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.879 -10.234 0.391 1.00 0.00 C ATOM 399 CD2 LEU A 26 4.165 -10.822 1.191 1.00 0.00 C ATOM 0 H LEU A 26 1.184 -11.927 4.781 1.00 0.00 H new ATOM 0 HA LEU A 26 0.060 -11.209 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.239 -10.456 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.855 -12.096 3.120 1.00 0.00 H new ATOM 0 HG LEU A 26 2.632 -12.205 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.274 -10.130 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.845 -10.574 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.921 -9.270 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.531 -10.701 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.256 -9.876 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.756 -11.584 1.700 1.00 0.00 H new ATOM 411 N LYS A 27 1.043 -14.345 2.477 1.00 0.00 N ATOM 412 CA LYS A 27 0.916 -15.652 1.851 1.00 0.00 C ATOM 413 C LYS A 27 -0.555 -16.001 1.644 1.00 0.00 C ATOM 414 O LYS A 27 -0.955 -16.476 0.581 1.00 0.00 O ATOM 415 CB LYS A 27 1.572 -16.714 2.737 1.00 0.00 C ATOM 416 CG LYS A 27 1.562 -18.116 2.139 1.00 0.00 C ATOM 417 CD LYS A 27 2.297 -19.137 3.016 1.00 0.00 C ATOM 418 CE LYS A 27 1.514 -19.512 4.281 1.00 0.00 C ATOM 419 NZ LYS A 27 1.526 -18.439 5.312 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.515 -14.361 3.381 1.00 0.00 H new ATOM 0 HA LYS A 27 1.413 -15.625 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.604 -16.422 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.059 -16.737 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.531 -18.439 1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.025 -18.090 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.488 -20.038 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.267 -18.731 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.482 -19.736 4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.937 -20.422 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.667 -18.862 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.300 -17.774 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.619 -17.930 5.294 1.00 0.00 H new ATOM 433 N GLU A 28 -1.355 -15.738 2.664 1.00 0.00 N ATOM 434 CA GLU A 28 -2.769 -16.051 2.639 1.00 0.00 C ATOM 435 C GLU A 28 -3.547 -15.113 1.712 1.00 0.00 C ATOM 436 O GLU A 28 -4.579 -15.496 1.162 1.00 0.00 O ATOM 437 CB GLU A 28 -3.331 -16.029 4.055 1.00 0.00 C ATOM 438 CG GLU A 28 -2.819 -17.175 4.913 1.00 0.00 C ATOM 439 CD GLU A 28 -3.396 -17.180 6.309 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.579 -17.541 6.466 1.00 0.00 O ATOM 441 OE2 GLU A 28 -2.662 -16.858 7.261 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.040 -15.302 3.531 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.887 -17.055 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.071 -15.083 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.419 -16.074 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.058 -18.120 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.733 -17.115 4.977 1.00 0.00 H new ATOM 448 N VAL A 29 -3.052 -13.892 1.538 1.00 0.00 N ATOM 449 CA VAL A 29 -3.679 -12.942 0.624 1.00 0.00 C ATOM 450 C VAL A 29 -3.562 -13.443 -0.809 1.00 0.00 C ATOM 451 O VAL A 29 -4.546 -13.474 -1.555 1.00 0.00 O ATOM 452 CB VAL A 29 -3.050 -11.528 0.724 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.660 -10.593 -0.312 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.239 -10.959 2.120 1.00 0.00 C ATOM 0 H VAL A 29 -2.223 -13.538 2.015 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.727 -12.864 0.912 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.982 -11.616 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.205 -9.606 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.479 -10.989 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.734 -10.513 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.792 -9.966 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.304 -10.889 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.758 -11.613 2.848 1.00 0.00 H new ATOM 464 N VAL A 30 -2.359 -13.856 -1.184 1.00 0.00 N ATOM 465 CA VAL A 30 -2.124 -14.391 -2.513 1.00 0.00 C ATOM 466 C VAL A 30 -2.905 -15.687 -2.696 1.00 0.00 C ATOM 467 O VAL A 30 -3.505 -15.922 -3.748 1.00 0.00 O ATOM 468 CB VAL A 30 -0.621 -14.648 -2.775 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.402 -15.180 -4.185 1.00 0.00 C ATOM 470 CG2 VAL A 30 0.180 -13.371 -2.554 1.00 0.00 C ATOM 0 H VAL A 30 -1.533 -13.830 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.465 -13.647 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.273 -15.403 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.662 -15.354 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.946 -16.117 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.765 -14.451 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.236 -13.567 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.173 -12.598 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.051 -13.034 -1.526 1.00 0.00 H new ATOM 480 N ALA A 31 -2.915 -16.513 -1.653 1.00 0.00 N ATOM 481 CA ALA A 31 -3.656 -17.766 -1.670 1.00 0.00 C ATOM 482 C ALA A 31 -5.144 -17.506 -1.870 1.00 0.00 C ATOM 483 O ALA A 31 -5.824 -18.248 -2.572 1.00 0.00 O ATOM 484 CB ALA A 31 -3.426 -18.531 -0.378 1.00 0.00 C ATOM 0 H ALA A 31 -2.415 -16.334 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.295 -18.368 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.986 -19.466 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.363 -18.747 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.763 -17.929 0.466 1.00 0.00 H new ATOM 490 N LYS A 32 -5.633 -16.440 -1.253 1.00 0.00 N ATOM 491 CA LYS A 32 -7.023 -16.035 -1.367 1.00 0.00 C ATOM 492 C LYS A 32 -7.340 -15.604 -2.799 1.00 0.00 C ATOM 493 O LYS A 32 -8.363 -15.996 -3.368 1.00 0.00 O ATOM 494 CB LYS A 32 -7.287 -14.873 -0.405 1.00 0.00 C ATOM 495 CG LYS A 32 -8.678 -14.273 -0.501 1.00 0.00 C ATOM 496 CD LYS A 32 -8.784 -12.959 0.278 1.00 0.00 C ATOM 497 CE LYS A 32 -8.922 -13.170 1.790 1.00 0.00 C ATOM 498 NZ LYS A 32 -7.676 -13.666 2.430 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.073 -15.830 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.663 -16.880 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.126 -15.220 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.554 -14.089 -0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.927 -14.096 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.408 -14.984 -0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.900 -12.353 0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.644 -12.396 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.212 -12.228 2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.727 -13.880 1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.553 -13.205 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.740 -14.696 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.862 -13.445 1.822 1.00 0.00 H new ATOM 512 N ARG A 33 -6.444 -14.809 -3.371 1.00 0.00 N ATOM 513 CA ARG A 33 -6.618 -14.279 -4.721 1.00 0.00 C ATOM 514 C ARG A 33 -6.617 -15.396 -5.765 1.00 0.00 C ATOM 515 O ARG A 33 -7.336 -15.335 -6.759 1.00 0.00 O ATOM 516 CB ARG A 33 -5.498 -13.281 -5.037 1.00 0.00 C ATOM 517 CG ARG A 33 -5.735 -12.461 -6.297 1.00 0.00 C ATOM 518 CD ARG A 33 -4.635 -11.434 -6.507 1.00 0.00 C ATOM 519 NE ARG A 33 -4.877 -10.602 -7.688 1.00 0.00 N ATOM 520 CZ ARG A 33 -4.261 -9.443 -7.934 1.00 0.00 C ATOM 521 NH1 ARG A 33 -3.383 -8.958 -7.067 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -4.535 -8.770 -9.045 1.00 0.00 N ATOM 0 H ARG A 33 -5.580 -14.514 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.584 -13.776 -4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.381 -12.603 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.559 -13.825 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.785 -13.124 -7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.698 -11.955 -6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.560 -10.798 -5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.678 -11.945 -6.614 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.562 -10.930 -8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.177 -9.470 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.914 -8.073 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.215 -9.138 -9.710 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.065 -7.885 -9.234 1.00 0.00 H new ATOM 536 N GLN A 34 -5.807 -16.407 -5.526 1.00 0.00 N ATOM 537 CA GLN A 34 -5.665 -17.516 -6.459 1.00 0.00 C ATOM 538 C GLN A 34 -6.656 -18.639 -6.165 1.00 0.00 C ATOM 539 O GLN A 34 -6.995 -19.426 -7.051 1.00 0.00 O ATOM 540 CB GLN A 34 -4.235 -18.036 -6.410 1.00 0.00 C ATOM 541 CG GLN A 34 -3.215 -17.011 -6.876 1.00 0.00 C ATOM 542 CD GLN A 34 -3.244 -16.808 -8.377 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.561 -17.722 -9.133 1.00 0.00 O ATOM 544 NE2 GLN A 34 -2.919 -15.614 -8.816 1.00 0.00 N ATOM 0 H GLN A 34 -5.231 -16.487 -4.688 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.888 -17.150 -7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.999 -18.338 -5.390 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.157 -18.927 -7.032 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.407 -16.060 -6.380 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.218 -17.332 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.661 -14.881 -8.156 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.924 -15.420 -9.817 1.00 0.00 H new ATOM 553 N GLY A 35 -7.116 -18.710 -4.932 1.00 0.00 N ATOM 554 CA GLY A 35 -8.056 -19.742 -4.554 1.00 0.00 C ATOM 555 C GLY A 35 -7.364 -21.057 -4.278 1.00 0.00 C ATOM 556 O GLY A 35 -7.813 -22.116 -4.727 1.00 0.00 O ATOM 0 H GLY A 35 -6.856 -18.070 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.605 -19.427 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.788 -19.876 -5.350 1.00 0.00 H new ATOM 560 N VAL A 36 -6.263 -20.991 -3.549 1.00 0.00 N ATOM 561 CA VAL A 36 -5.489 -22.177 -3.221 1.00 0.00 C ATOM 562 C VAL A 36 -5.208 -22.244 -1.724 1.00 0.00 C ATOM 563 O VAL A 36 -5.131 -21.211 -1.057 1.00 0.00 O ATOM 564 CB VAL A 36 -4.138 -22.217 -3.989 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.368 -22.259 -5.492 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.259 -21.029 -3.610 1.00 0.00 C ATOM 0 H VAL A 36 -5.883 -20.123 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.089 -23.036 -3.523 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.616 -23.129 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.407 -22.286 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.942 -23.150 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.920 -21.371 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.320 -21.081 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.775 -20.101 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.054 -21.055 -2.540 1.00 0.00 H new ATOM 576 N PRO A 37 -5.077 -23.461 -1.171 1.00 0.00 N ATOM 577 CA PRO A 37 -4.765 -23.647 0.246 1.00 0.00 C ATOM 578 C PRO A 37 -3.370 -23.123 0.585 1.00 0.00 C ATOM 579 O PRO A 37 -2.365 -23.596 0.043 1.00 0.00 O ATOM 580 CB PRO A 37 -4.831 -25.170 0.445 1.00 0.00 C ATOM 581 CG PRO A 37 -4.671 -25.751 -0.918 1.00 0.00 C ATOM 582 CD PRO A 37 -5.237 -24.742 -1.878 1.00 0.00 C ATOM 0 HA PRO A 37 -5.453 -23.102 0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.042 -25.514 1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.780 -25.468 0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.621 -25.948 -1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.197 -26.702 -0.999 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.700 -24.746 -2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.283 -24.947 -2.104 1.00 0.00 H new ATOM 590 N ALA A 38 -3.318 -22.151 1.486 1.00 0.00 N ATOM 591 CA ALA A 38 -2.063 -21.528 1.887 1.00 0.00 C ATOM 592 C ALA A 38 -1.204 -22.482 2.708 1.00 0.00 C ATOM 593 O ALA A 38 0.000 -22.285 2.846 1.00 0.00 O ATOM 594 CB ALA A 38 -2.336 -20.252 2.664 1.00 0.00 C ATOM 0 H ALA A 38 -4.140 -21.773 1.958 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.507 -21.279 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.391 -19.796 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.895 -19.557 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.919 -20.486 3.555 1.00 0.00 H new ATOM 600 N ASP A 39 -1.834 -23.518 3.243 1.00 0.00 N ATOM 601 CA ASP A 39 -1.139 -24.534 4.037 1.00 0.00 C ATOM 602 C ASP A 39 -0.119 -25.292 3.189 1.00 0.00 C ATOM 603 O ASP A 39 0.894 -25.771 3.697 1.00 0.00 O ATOM 604 CB ASP A 39 -2.155 -25.512 4.649 1.00 0.00 C ATOM 605 CG ASP A 39 -1.507 -26.723 5.303 1.00 0.00 C ATOM 606 OD1 ASP A 39 -0.759 -26.550 6.293 1.00 0.00 O ATOM 607 OD2 ASP A 39 -1.767 -27.859 4.844 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.836 -23.682 3.143 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.602 -24.030 4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.755 -24.985 5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.838 -25.851 3.870 1.00 0.00 H new ATOM 612 N GLN A 40 -0.380 -25.375 1.897 1.00 0.00 N ATOM 613 CA GLN A 40 0.501 -26.093 0.986 1.00 0.00 C ATOM 614 C GLN A 40 1.258 -25.117 0.089 1.00 0.00 C ATOM 615 O GLN A 40 2.033 -25.525 -0.783 1.00 0.00 O ATOM 616 CB GLN A 40 -0.316 -27.064 0.129 1.00 0.00 C ATOM 617 CG GLN A 40 -1.219 -27.977 0.942 1.00 0.00 C ATOM 618 CD GLN A 40 -1.974 -28.985 0.097 1.00 0.00 C ATOM 619 OE1 GLN A 40 -2.286 -28.743 -1.075 1.00 0.00 O ATOM 620 NE2 GLN A 40 -2.283 -30.117 0.687 1.00 0.00 N ATOM 0 H GLN A 40 -1.196 -24.954 1.452 1.00 0.00 H new ATOM 0 HA GLN A 40 1.226 -26.655 1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.925 -26.493 -0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.365 -27.674 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.617 -28.510 1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.935 -27.369 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.008 -30.279 1.656 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.798 -30.834 0.177 1.00 0.00 H new ATOM 629 N LEU A 41 1.055 -23.835 0.332 1.00 0.00 N ATOM 630 CA LEU A 41 1.644 -22.792 -0.488 1.00 0.00 C ATOM 631 C LEU A 41 3.071 -22.481 -0.042 1.00 0.00 C ATOM 632 O LEU A 41 3.348 -22.376 1.154 1.00 0.00 O ATOM 633 CB LEU A 41 0.776 -21.533 -0.422 1.00 0.00 C ATOM 634 CG LEU A 41 1.086 -20.452 -1.449 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.861 -20.978 -2.855 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.229 -19.222 -1.200 1.00 0.00 C ATOM 0 H LEU A 41 0.480 -23.488 1.100 1.00 0.00 H new ATOM 0 HA LEU A 41 1.688 -23.144 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.267 -21.828 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.875 -21.100 0.573 1.00 0.00 H new ATOM 0 HG LEU A 41 2.134 -20.169 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.087 -20.194 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.513 -21.833 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.179 -21.285 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.463 -18.459 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.825 -19.491 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.433 -18.832 -0.203 1.00 0.00 H new ATOM 648 N ARG A 42 3.971 -22.338 -1.003 1.00 0.00 N ATOM 649 CA ARG A 42 5.364 -22.058 -0.706 1.00 0.00 C ATOM 650 C ARG A 42 5.773 -20.694 -1.247 1.00 0.00 C ATOM 651 O ARG A 42 5.585 -20.402 -2.429 1.00 0.00 O ATOM 652 CB ARG A 42 6.259 -23.150 -1.300 1.00 0.00 C ATOM 653 CG ARG A 42 7.734 -23.004 -0.946 1.00 0.00 C ATOM 654 CD ARG A 42 7.938 -22.960 0.560 1.00 0.00 C ATOM 655 NE ARG A 42 7.281 -24.084 1.238 1.00 0.00 N ATOM 656 CZ ARG A 42 7.509 -24.444 2.503 1.00 0.00 C ATOM 657 NH1 ARG A 42 8.379 -23.776 3.247 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 6.849 -25.471 3.026 1.00 0.00 N ATOM 0 H ARG A 42 3.759 -22.412 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 42 5.486 -22.046 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.907 -24.122 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.154 -23.141 -2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.296 -23.838 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.130 -22.093 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.005 -22.977 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.546 -22.021 0.952 1.00 0.00 H new ATOM 0 HE ARG A 42 6.603 -24.628 0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.881 -22.980 2.854 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.547 -24.058 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.170 -25.982 2.461 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.021 -25.749 3.992 1.00 0.00 H new ATOM 672 N VAL A 43 6.334 -19.866 -0.382 1.00 0.00 N ATOM 673 CA VAL A 43 6.761 -18.535 -0.774 1.00 0.00 C ATOM 674 C VAL A 43 8.285 -18.448 -0.882 1.00 0.00 C ATOM 675 O VAL A 43 9.008 -18.842 0.031 1.00 0.00 O ATOM 676 CB VAL A 43 6.233 -17.444 0.203 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.715 -17.374 0.152 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.699 -17.710 1.632 1.00 0.00 C ATOM 0 H VAL A 43 6.504 -20.093 0.598 1.00 0.00 H new ATOM 0 HA VAL A 43 6.330 -18.346 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 43 6.642 -16.485 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.363 -16.606 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.396 -17.127 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.296 -18.339 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.315 -16.931 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.327 -18.680 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.788 -17.708 1.666 1.00 0.00 H new ATOM 688 N ILE A 44 8.762 -17.953 -2.013 1.00 0.00 N ATOM 689 CA ILE A 44 10.188 -17.801 -2.253 1.00 0.00 C ATOM 690 C ILE A 44 10.513 -16.350 -2.620 1.00 0.00 C ATOM 691 O ILE A 44 9.865 -15.757 -3.485 1.00 0.00 O ATOM 692 CB ILE A 44 10.675 -18.737 -3.402 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.395 -20.214 -3.067 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.160 -18.524 -3.688 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.133 -20.725 -1.841 1.00 0.00 C ATOM 0 H ILE A 44 8.174 -17.646 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 44 10.705 -18.076 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 44 10.114 -18.480 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.324 -20.343 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.670 -20.828 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.474 -19.188 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.328 -17.489 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.738 -18.742 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.881 -21.772 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.208 -20.631 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.841 -20.139 -0.970 1.00 0.00 H new ATOM 707 N PHE A 45 11.495 -15.785 -1.952 1.00 0.00 N ATOM 708 CA PHE A 45 11.912 -14.428 -2.220 1.00 0.00 C ATOM 709 C PHE A 45 13.431 -14.332 -2.215 1.00 0.00 C ATOM 710 O PHE A 45 14.079 -14.704 -1.240 1.00 0.00 O ATOM 711 CB PHE A 45 11.316 -13.471 -1.184 1.00 0.00 C ATOM 712 CG PHE A 45 11.632 -12.031 -1.456 1.00 0.00 C ATOM 713 CD1 PHE A 45 10.963 -11.342 -2.447 1.00 0.00 C ATOM 714 CD2 PHE A 45 12.604 -11.369 -0.721 1.00 0.00 C ATOM 715 CE1 PHE A 45 11.251 -10.022 -2.705 1.00 0.00 C ATOM 716 CE2 PHE A 45 12.898 -10.047 -0.975 1.00 0.00 C ATOM 717 CZ PHE A 45 12.219 -9.373 -1.969 1.00 0.00 C ATOM 0 H PHE A 45 12.023 -16.250 -1.213 1.00 0.00 H new ATOM 0 HA PHE A 45 11.547 -14.142 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.234 -13.600 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.690 -13.738 -0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.204 -11.845 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.136 -11.895 0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.719 -9.495 -3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.657 -9.540 -0.398 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.446 -8.337 -2.171 1.00 0.00 H new ATOM 727 N ALA A 46 13.992 -13.858 -3.325 1.00 0.00 N ATOM 728 CA ALA A 46 15.444 -13.687 -3.479 1.00 0.00 C ATOM 729 C ALA A 46 16.185 -15.025 -3.396 1.00 0.00 C ATOM 730 O ALA A 46 17.396 -15.068 -3.163 1.00 0.00 O ATOM 731 CB ALA A 46 15.989 -12.700 -2.449 1.00 0.00 C ATOM 0 H ALA A 46 13.456 -13.580 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 46 15.619 -13.277 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.065 -12.591 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.506 -11.732 -2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.785 -13.072 -1.445 1.00 0.00 H new ATOM 737 N GLY A 47 15.450 -16.113 -3.602 1.00 0.00 N ATOM 738 CA GLY A 47 16.045 -17.436 -3.561 1.00 0.00 C ATOM 739 C GLY A 47 15.893 -18.104 -2.208 1.00 0.00 C ATOM 740 O GLY A 47 16.250 -19.272 -2.042 1.00 0.00 O ATOM 0 H GLY A 47 14.449 -16.101 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.583 -18.062 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.104 -17.362 -3.808 1.00 0.00 H new ATOM 744 N LYS A 48 15.359 -17.374 -1.245 1.00 0.00 N ATOM 745 CA LYS A 48 15.169 -17.901 0.098 1.00 0.00 C ATOM 746 C LYS A 48 13.760 -17.618 0.602 1.00 0.00 C ATOM 747 O LYS A 48 12.948 -17.043 -0.111 1.00 0.00 O ATOM 748 CB LYS A 48 16.235 -17.328 1.063 1.00 0.00 C ATOM 749 CG LYS A 48 16.436 -15.808 0.993 1.00 0.00 C ATOM 750 CD LYS A 48 15.316 -15.045 1.688 1.00 0.00 C ATOM 751 CE LYS A 48 15.481 -13.540 1.533 1.00 0.00 C ATOM 752 NZ LYS A 48 16.721 -13.041 2.169 1.00 0.00 N1+ ATOM 0 H LYS A 48 15.048 -16.410 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 48 15.294 -18.983 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.958 -17.594 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.188 -17.814 0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.390 -15.548 1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.490 -15.498 -0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.355 -15.351 1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.302 -15.303 2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.491 -13.285 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.621 -13.035 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.723 -12.001 2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.766 -13.376 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.547 -13.395 1.645 1.00 0.00 H new ATOM 766 N GLU A 49 13.472 -18.036 1.813 1.00 0.00 N ATOM 767 CA GLU A 49 12.173 -17.793 2.404 1.00 0.00 C ATOM 768 C GLU A 49 12.265 -16.693 3.443 1.00 0.00 C ATOM 769 O GLU A 49 13.357 -16.340 3.896 1.00 0.00 O ATOM 770 CB GLU A 49 11.613 -19.063 3.034 1.00 0.00 C ATOM 771 CG GLU A 49 11.375 -20.186 2.044 1.00 0.00 C ATOM 772 CD GLU A 49 10.744 -21.392 2.689 1.00 0.00 C ATOM 773 OE1 GLU A 49 9.507 -21.427 2.805 1.00 0.00 O ATOM 774 OE2 GLU A 49 11.482 -22.315 3.086 1.00 0.00 O1- ATOM 0 H GLU A 49 14.121 -18.548 2.411 1.00 0.00 H new ATOM 0 HA GLU A 49 11.495 -17.477 1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.303 -19.410 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.673 -18.826 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.732 -19.828 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.323 -20.474 1.590 1.00 0.00 H new ATOM 781 N LEU A 50 11.127 -16.154 3.816 1.00 0.00 N ATOM 782 CA LEU A 50 11.079 -15.091 4.797 1.00 0.00 C ATOM 783 C LEU A 50 10.376 -15.567 6.036 1.00 0.00 C ATOM 784 O LEU A 50 9.574 -16.502 5.984 1.00 0.00 O ATOM 785 CB LEU A 50 10.330 -13.877 4.245 1.00 0.00 C ATOM 786 CG LEU A 50 10.814 -13.344 2.900 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.943 -12.195 2.443 1.00 0.00 C ATOM 788 CD2 LEU A 50 12.267 -12.910 2.982 1.00 0.00 C ATOM 0 H LEU A 50 10.216 -16.435 3.453 1.00 0.00 H new ATOM 0 HA LEU A 50 12.104 -14.805 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.276 -14.138 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.395 -13.072 4.977 1.00 0.00 H new ATOM 0 HG LEU A 50 10.740 -14.148 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.302 -11.826 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.914 -12.538 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.985 -11.392 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.590 -12.534 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.370 -12.123 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.886 -13.762 3.265 1.00 0.00 H new ATOM 800 N ARG A 51 10.680 -14.939 7.147 1.00 0.00 N ATOM 801 CA ARG A 51 10.003 -15.232 8.388 1.00 0.00 C ATOM 802 C ARG A 51 8.533 -14.836 8.259 1.00 0.00 C ATOM 803 O ARG A 51 8.218 -13.755 7.753 1.00 0.00 O ATOM 804 CB ARG A 51 10.670 -14.505 9.575 1.00 0.00 C ATOM 805 CG ARG A 51 10.560 -12.977 9.563 1.00 0.00 C ATOM 806 CD ARG A 51 11.332 -12.331 8.416 1.00 0.00 C ATOM 807 NE ARG A 51 12.725 -12.774 8.360 1.00 0.00 N ATOM 808 CZ ARG A 51 13.609 -12.361 7.451 1.00 0.00 C ATOM 809 NH1 ARG A 51 13.261 -11.457 6.532 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 14.845 -12.844 7.469 1.00 0.00 N ATOM 0 H ARG A 51 11.397 -14.217 7.217 1.00 0.00 H new ATOM 0 HA ARG A 51 10.073 -16.301 8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.228 -14.876 10.500 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.726 -14.775 9.596 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.510 -12.695 9.491 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.931 -12.584 10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.840 -12.568 7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.303 -11.247 8.527 1.00 0.00 H new ATOM 0 HE ARG A 51 13.041 -13.443 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.314 -11.078 6.522 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.942 -11.145 5.840 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.115 -13.528 8.176 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.525 -12.531 6.776 1.00 0.00 H new ATOM 824 N ASN A 52 7.645 -15.702 8.698 1.00 0.00 N ATOM 825 CA ASN A 52 6.215 -15.465 8.534 1.00 0.00 C ATOM 826 C ASN A 52 5.715 -14.331 9.425 1.00 0.00 C ATOM 827 O ASN A 52 4.816 -13.585 9.040 1.00 0.00 O ATOM 828 CB ASN A 52 5.403 -16.752 8.778 1.00 0.00 C ATOM 829 CG ASN A 52 5.421 -17.219 10.223 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.320 -17.938 10.641 1.00 0.00 O ATOM 831 ND2 ASN A 52 4.417 -16.829 10.986 1.00 0.00 N ATOM 0 H ASN A 52 7.880 -16.575 9.170 1.00 0.00 H new ATOM 0 HA ASN A 52 6.063 -15.157 7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.370 -16.583 8.473 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.797 -17.546 8.144 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.371 -17.127 11.960 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.687 -16.230 10.601 1.00 0.00 H new ATOM 838 N ASP A 53 6.313 -14.176 10.590 1.00 0.00 N ATOM 839 CA ASP A 53 5.862 -13.163 11.521 1.00 0.00 C ATOM 840 C ASP A 53 6.778 -11.953 11.513 1.00 0.00 C ATOM 841 O ASP A 53 7.596 -11.760 12.415 1.00 0.00 O ATOM 842 CB ASP A 53 5.713 -13.728 12.937 1.00 0.00 C ATOM 843 CG ASP A 53 5.164 -12.707 13.916 1.00 0.00 C ATOM 844 OD1 ASP A 53 3.955 -12.378 13.826 1.00 0.00 O ATOM 845 OD2 ASP A 53 5.926 -12.239 14.789 1.00 0.00 O1- ATOM 0 H ASP A 53 7.105 -14.733 10.911 1.00 0.00 H new ATOM 0 HA ASP A 53 4.877 -12.836 11.188 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.052 -14.594 12.911 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.683 -14.078 13.289 1.00 0.00 H new ATOM 850 N TRP A 54 6.680 -11.188 10.451 1.00 0.00 N ATOM 851 CA TRP A 54 7.411 -9.940 10.314 1.00 0.00 C ATOM 852 C TRP A 54 6.826 -9.120 9.170 1.00 0.00 C ATOM 853 O TRP A 54 6.184 -9.671 8.275 1.00 0.00 O ATOM 854 CB TRP A 54 8.910 -10.184 10.104 1.00 0.00 C ATOM 855 CG TRP A 54 9.730 -8.927 10.106 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.624 -8.535 9.158 1.00 0.00 C ATOM 857 CD2 TRP A 54 9.713 -7.888 11.097 1.00 0.00 C ATOM 858 NE1 TRP A 54 11.168 -7.325 9.495 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.624 -6.905 10.680 1.00 0.00 C ATOM 860 CE3 TRP A 54 9.016 -7.694 12.296 1.00 0.00 C ATOM 861 CZ2 TRP A 54 10.854 -5.746 11.415 1.00 0.00 C ATOM 862 CZ3 TRP A 54 9.249 -6.544 13.023 1.00 0.00 C ATOM 863 CH2 TRP A 54 10.159 -5.584 12.580 1.00 0.00 C ATOM 0 H TRP A 54 6.089 -11.411 9.650 1.00 0.00 H new ATOM 0 HA TRP A 54 7.305 -9.378 11.242 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.275 -10.847 10.888 1.00 0.00 H new ATOM 0 HB3 TRP A 54 9.056 -10.701 9.156 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.869 -9.097 8.269 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.866 -6.818 8.951 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.309 -8.431 12.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.558 -5.000 11.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.718 -6.385 13.950 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.317 -4.694 13.171 1.00 0.00 H new ATOM 874 N THR A 55 7.059 -7.820 9.208 1.00 0.00 N ATOM 875 CA THR A 55 6.494 -6.891 8.246 1.00 0.00 C ATOM 876 C THR A 55 7.089 -7.071 6.849 1.00 0.00 C ATOM 877 O THR A 55 8.279 -7.384 6.688 1.00 0.00 O ATOM 878 CB THR A 55 6.715 -5.433 8.698 1.00 0.00 C ATOM 879 OG1 THR A 55 8.110 -5.109 8.635 1.00 0.00 O ATOM 880 CG2 THR A 55 6.233 -5.243 10.122 1.00 0.00 C ATOM 0 H THR A 55 7.649 -7.377 9.912 1.00 0.00 H new ATOM 0 HA THR A 55 5.427 -7.108 8.197 1.00 0.00 H new ATOM 0 HB THR A 55 6.151 -4.778 8.034 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.609 -5.690 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.396 -4.209 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.170 -5.475 10.180 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.786 -5.908 10.785 1.00 0.00 H new ATOM 888 N VAL A 56 6.258 -6.868 5.847 1.00 0.00 N ATOM 889 CA VAL A 56 6.682 -6.961 4.471 1.00 0.00 C ATOM 890 C VAL A 56 7.399 -5.669 4.041 1.00 0.00 C ATOM 891 O VAL A 56 8.183 -5.669 3.087 1.00 0.00 O ATOM 892 CB VAL A 56 5.473 -7.259 3.531 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.443 -6.141 3.569 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.933 -7.524 2.105 1.00 0.00 C ATOM 0 H VAL A 56 5.272 -6.635 5.967 1.00 0.00 H new ATOM 0 HA VAL A 56 7.384 -7.791 4.387 1.00 0.00 H new ATOM 0 HB VAL A 56 4.992 -8.163 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.616 -6.385 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.067 -6.027 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.906 -5.208 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.067 -7.728 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.460 -6.649 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.602 -8.385 2.092 1.00 0.00 H new ATOM 904 N GLN A 57 7.156 -4.577 4.776 1.00 0.00 N ATOM 905 CA GLN A 57 7.773 -3.291 4.453 1.00 0.00 C ATOM 906 C GLN A 57 9.256 -3.284 4.799 1.00 0.00 C ATOM 907 O GLN A 57 10.042 -2.580 4.171 1.00 0.00 O ATOM 908 CB GLN A 57 7.071 -2.134 5.169 1.00 0.00 C ATOM 909 CG GLN A 57 7.326 -2.079 6.666 1.00 0.00 C ATOM 910 CD GLN A 57 6.748 -0.831 7.306 1.00 0.00 C ATOM 911 OE1 GLN A 57 6.648 0.216 6.667 1.00 0.00 O ATOM 912 NE2 GLN A 57 6.372 -0.926 8.565 1.00 0.00 N ATOM 0 H GLN A 57 6.542 -4.560 5.590 1.00 0.00 H new ATOM 0 HA GLN A 57 7.663 -3.151 3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.396 -1.195 4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.998 -2.214 4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.892 -2.960 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.400 -2.115 6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.471 -1.812 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.982 -0.114 9.043 1.00 0.00 H new ATOM 921 N ASN A 58 9.635 -4.061 5.798 1.00 0.00 N ATOM 922 CA ASN A 58 11.025 -4.108 6.217 1.00 0.00 C ATOM 923 C ASN A 58 11.799 -5.079 5.340 1.00 0.00 C ATOM 924 O ASN A 58 12.959 -4.842 5.009 1.00 0.00 O ATOM 925 CB ASN A 58 11.126 -4.511 7.689 1.00 0.00 C ATOM 926 CG ASN A 58 12.418 -4.046 8.361 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.425 -3.745 9.553 1.00 0.00 O ATOM 928 ND2 ASN A 58 13.507 -3.989 7.617 1.00 0.00 N ATOM 0 H ASN A 58 9.007 -4.663 6.330 1.00 0.00 H new ATOM 0 HA ASN A 58 11.461 -3.115 6.106 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.275 -4.097 8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.056 -5.596 7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.390 -3.688 8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.465 -4.246 6.631 1.00 0.00 H new ATOM 935 N CYS A 59 11.146 -6.165 4.955 1.00 0.00 N ATOM 936 CA CYS A 59 11.765 -7.160 4.091 1.00 0.00 C ATOM 937 C CYS A 59 11.891 -6.616 2.667 1.00 0.00 C ATOM 938 O CYS A 59 12.821 -6.959 1.942 1.00 0.00 O ATOM 939 CB CYS A 59 10.938 -8.451 4.093 1.00 0.00 C ATOM 940 SG CYS A 59 10.652 -9.155 5.738 1.00 0.00 S ATOM 0 H CYS A 59 10.187 -6.380 5.227 1.00 0.00 H new ATOM 0 HA CYS A 59 12.762 -7.383 4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.974 -8.251 3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 59 11.445 -9.194 3.477 1.00 0.00 H new ATOM 0 HG CYS A 59 9.670 -8.528 6.314 1.00 0.00 H new ATOM 946 N ASP A 60 10.939 -5.751 2.301 1.00 0.00 N ATOM 947 CA ASP A 60 10.876 -5.108 0.981 1.00 0.00 C ATOM 948 C ASP A 60 10.697 -6.119 -0.136 1.00 0.00 C ATOM 949 O ASP A 60 11.658 -6.670 -0.658 1.00 0.00 O ATOM 950 CB ASP A 60 12.092 -4.220 0.695 1.00 0.00 C ATOM 951 CG ASP A 60 11.912 -3.371 -0.566 1.00 0.00 C ATOM 952 OD1 ASP A 60 11.735 -3.939 -1.666 1.00 0.00 O ATOM 953 OD2 ASP A 60 11.946 -2.127 -0.457 1.00 0.00 O1- ATOM 0 H ASP A 60 10.179 -5.473 2.921 1.00 0.00 H new ATOM 0 HA ASP A 60 9.996 -4.465 1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.269 -3.565 1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.978 -4.846 0.585 1.00 0.00 H new ATOM 958 N LEU A 61 9.463 -6.369 -0.476 1.00 0.00 N ATOM 959 CA LEU A 61 9.137 -7.244 -1.584 1.00 0.00 C ATOM 960 C LEU A 61 8.583 -6.393 -2.707 1.00 0.00 C ATOM 961 O LEU A 61 7.949 -6.876 -3.643 1.00 0.00 O ATOM 962 CB LEU A 61 8.121 -8.324 -1.150 1.00 0.00 C ATOM 963 CG LEU A 61 8.664 -9.470 -0.260 1.00 0.00 C ATOM 964 CD1 LEU A 61 9.227 -8.946 1.049 1.00 0.00 C ATOM 965 CD2 LEU A 61 7.576 -10.494 0.016 1.00 0.00 C ATOM 0 H LEU A 61 8.652 -5.976 0.002 1.00 0.00 H new ATOM 0 HA LEU A 61 10.031 -7.767 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.309 -7.832 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.689 -8.766 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 61 9.476 -9.949 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.598 -9.780 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.045 -8.255 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.443 -8.426 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.977 -11.291 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.744 -10.012 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.225 -10.915 -0.926 1.00 0.00 H new ATOM 977 N ASP A 62 8.865 -5.113 -2.594 1.00 0.00 N ATOM 978 CA ASP A 62 8.395 -4.108 -3.520 1.00 0.00 C ATOM 979 C ASP A 62 9.466 -3.741 -4.533 1.00 0.00 C ATOM 980 O ASP A 62 9.216 -3.744 -5.737 1.00 0.00 O ATOM 981 CB ASP A 62 7.965 -2.856 -2.734 1.00 0.00 C ATOM 982 CG ASP A 62 7.896 -1.595 -3.581 1.00 0.00 C ATOM 983 OD1 ASP A 62 6.814 -1.275 -4.097 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.924 -0.907 -3.708 1.00 0.00 O1- ATOM 0 H ASP A 62 9.439 -4.735 -1.840 1.00 0.00 H new ATOM 0 HA ASP A 62 7.545 -4.515 -4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.987 -3.037 -2.287 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.665 -2.694 -1.914 1.00 0.00 H new ATOM 989 N GLN A 63 10.669 -3.471 -4.052 1.00 0.00 N ATOM 990 CA GLN A 63 11.727 -2.975 -4.918 1.00 0.00 C ATOM 991 C GLN A 63 12.910 -3.927 -4.991 1.00 0.00 C ATOM 992 O GLN A 63 13.576 -4.013 -6.026 1.00 0.00 O ATOM 993 CB GLN A 63 12.181 -1.590 -4.453 1.00 0.00 C ATOM 994 CG GLN A 63 13.170 -0.915 -5.389 1.00 0.00 C ATOM 995 CD GLN A 63 13.451 0.517 -4.995 1.00 0.00 C ATOM 996 OE1 GLN A 63 12.763 1.438 -5.439 1.00 0.00 O ATOM 997 NE2 GLN A 63 14.454 0.719 -4.169 1.00 0.00 N ATOM 0 H GLN A 63 10.936 -3.586 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 63 11.316 -2.902 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.305 -0.950 -4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.635 -1.680 -3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.104 -1.478 -5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.778 -0.939 -6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.998 -0.072 -3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.688 1.667 -3.872 1.00 0.00 H new ATOM 1006 N GLN A 64 13.180 -4.628 -3.902 1.00 0.00 N ATOM 1007 CA GLN A 64 14.290 -5.573 -3.869 1.00 0.00 C ATOM 1008 C GLN A 64 14.149 -6.622 -4.959 1.00 0.00 C ATOM 1009 O GLN A 64 15.020 -6.754 -5.818 1.00 0.00 O ATOM 1010 CB GLN A 64 14.394 -6.229 -2.499 1.00 0.00 C ATOM 1011 CG GLN A 64 14.792 -5.264 -1.406 1.00 0.00 C ATOM 1012 CD GLN A 64 16.175 -4.690 -1.617 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.341 -3.655 -2.264 1.00 0.00 O ATOM 1014 NE2 GLN A 64 17.174 -5.358 -1.084 1.00 0.00 N ATOM 0 H GLN A 64 12.651 -4.563 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 64 15.210 -5.019 -4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.435 -6.680 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.124 -7.037 -2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.067 -4.451 -1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.757 -5.775 -0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.993 -6.211 -0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.131 -5.023 -1.199 1.00 0.00 H new ATOM 1037 N ILE A 66 10.911 -9.450 -6.977 1.00 0.00 N ATOM 1038 CA ILE A 66 9.542 -9.859 -7.120 1.00 0.00 C ATOM 1039 C ILE A 66 9.346 -11.175 -6.371 1.00 0.00 C ATOM 1040 O ILE A 66 10.257 -12.010 -6.322 1.00 0.00 O ATOM 1041 CB ILE A 66 9.138 -9.996 -8.623 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.637 -10.208 -8.769 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.888 -11.126 -9.297 1.00 0.00 C ATOM 1044 CD1 ILE A 66 7.143 -10.082 -10.193 1.00 0.00 C ATOM 0 HA ILE A 66 8.892 -9.096 -6.693 1.00 0.00 H new ATOM 0 HB ILE A 66 9.409 -9.062 -9.116 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.380 -11.197 -8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.114 -9.482 -8.146 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.583 -11.193 -10.341 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.960 -10.934 -9.244 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.662 -12.065 -8.792 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.066 -10.245 -10.220 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.368 -9.084 -10.569 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.638 -10.826 -10.817 1.00 0.00 H new ATOM 1056 N VAL A 67 8.193 -11.351 -5.776 1.00 0.00 N ATOM 1057 CA VAL A 67 7.931 -12.529 -4.968 1.00 0.00 C ATOM 1058 C VAL A 67 7.564 -13.712 -5.846 1.00 0.00 C ATOM 1059 O VAL A 67 6.746 -13.589 -6.733 1.00 0.00 O ATOM 1060 CB VAL A 67 6.775 -12.276 -3.977 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.729 -13.356 -2.904 1.00 0.00 C ATOM 1062 CG2 VAL A 67 6.891 -10.896 -3.359 1.00 0.00 C ATOM 0 H VAL A 67 7.414 -10.694 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 67 8.843 -12.749 -4.413 1.00 0.00 H new ATOM 0 HB VAL A 67 5.837 -12.320 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.906 -13.154 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.580 -14.329 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.668 -13.360 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.066 -10.738 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.837 -10.815 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.853 -10.141 -4.144 1.00 0.00 H new ATOM 1072 N HIS A 68 8.186 -14.843 -5.603 1.00 0.00 N ATOM 1073 CA HIS A 68 7.885 -16.053 -6.353 1.00 0.00 C ATOM 1074 C HIS A 68 7.142 -17.030 -5.467 1.00 0.00 C ATOM 1075 O HIS A 68 7.681 -17.518 -4.480 1.00 0.00 O ATOM 1076 CB HIS A 68 9.165 -16.697 -6.898 1.00 0.00 C ATOM 1077 CG HIS A 68 9.756 -15.981 -8.078 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.075 -16.654 -9.234 1.00 0.00 N ATOM 1079 CD2 HIS A 68 10.078 -14.673 -8.227 1.00 0.00 C ATOM 1080 CE1 HIS A 68 10.580 -15.747 -10.051 1.00 0.00 C ATOM 1081 NE2 HIS A 68 10.604 -14.535 -9.486 1.00 0.00 N ATOM 0 H HIS A 68 8.907 -14.956 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 68 7.257 -15.786 -7.203 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.907 -16.736 -6.101 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.948 -17.727 -7.182 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.946 -13.890 -7.495 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.930 -15.958 -11.051 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.948 -13.673 -9.910 1.00 0.00 H new ATOM 1089 N ILE A 69 5.906 -17.303 -5.804 1.00 0.00 N ATOM 1090 CA ILE A 69 5.099 -18.188 -4.999 1.00 0.00 C ATOM 1091 C ILE A 69 4.655 -19.405 -5.791 1.00 0.00 C ATOM 1092 O ILE A 69 3.951 -19.291 -6.799 1.00 0.00 O ATOM 1093 CB ILE A 69 3.867 -17.458 -4.422 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.310 -16.300 -3.523 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.992 -18.425 -3.648 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.166 -15.585 -2.839 1.00 0.00 C ATOM 0 H ILE A 69 5.437 -16.927 -6.628 1.00 0.00 H new ATOM 0 HA ILE A 69 5.723 -18.522 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 69 3.284 -17.053 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.993 -16.682 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.869 -15.581 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.128 -17.894 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.654 -19.221 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.565 -18.857 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.559 -14.778 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.494 -15.171 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.619 -16.290 -2.212 1.00 0.00 H new ATOM 1108 N VAL A 70 5.064 -20.567 -5.328 1.00 0.00 N ATOM 1109 CA VAL A 70 4.709 -21.806 -5.973 1.00 0.00 C ATOM 1110 C VAL A 70 3.759 -22.604 -5.099 1.00 0.00 C ATOM 1111 O VAL A 70 3.890 -22.625 -3.871 1.00 0.00 O ATOM 1112 CB VAL A 70 5.957 -22.662 -6.325 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.814 -21.953 -7.361 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.777 -22.974 -5.080 1.00 0.00 C ATOM 0 H VAL A 70 5.648 -20.676 -4.499 1.00 0.00 H new ATOM 0 HA VAL A 70 4.212 -21.551 -6.909 1.00 0.00 H new ATOM 0 HB VAL A 70 5.610 -23.606 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.684 -22.567 -7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.230 -21.790 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.144 -20.993 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.644 -23.574 -5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.111 -22.043 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.164 -23.528 -4.370 1.00 0.00 H new ATOM 1124 N GLN A 71 2.796 -23.239 -5.721 1.00 0.00 N ATOM 1125 CA GLN A 71 1.818 -24.018 -5.002 1.00 0.00 C ATOM 1126 C GLN A 71 2.112 -25.497 -5.127 1.00 0.00 C ATOM 1127 O GLN A 71 2.424 -25.984 -6.211 1.00 0.00 O ATOM 1128 CB GLN A 71 0.400 -23.708 -5.517 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.711 -24.571 -4.905 1.00 0.00 C ATOM 1130 CD GLN A 71 -0.832 -24.417 -3.395 1.00 0.00 C ATOM 1131 OE1 GLN A 71 0.138 -24.163 -2.708 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -2.029 -24.582 -2.880 1.00 0.00 N ATOM 0 H GLN A 71 2.668 -23.231 -6.733 1.00 0.00 H new ATOM 0 HA GLN A 71 1.874 -23.746 -3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.178 -22.660 -5.318 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.386 -23.837 -6.599 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.662 -24.307 -5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.521 -25.618 -5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.821 -24.794 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.167 -24.498 -1.873 1.00 0.00 H new