USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 702 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 -162:sc= -0.0736 (180deg=-0.447) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0456 (180deg=-0.0768) USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= 1.55 (180deg=1.1) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.607 K(o=0.61,f=-0.72) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 33 GLN : amide:sc= -0.973 K(o=-0.97,f=-5.1!) USER MOD Single : A 34 SER OG : rot -84:sc= 0.645 USER MOD Single : A 35 GLN : amide:sc= -0.0813 K(o=-0.081,f=-0.61) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.404 K(o=0.4,f=-4.1!) USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= 1.02 (180deg=0.318) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.68) USER MOD Single : A 53 THR OG1 : rot 74:sc= 0.72 USER MOD Single : A 58 TYR OH : rot 50:sc= -1.04 USER MOD Single : A 60 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.55) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 68 GLN : amide:sc= -0.0795 X(o=-0.079,f=-0.09) USER MOD Single : A 71 SER OG : rot -4:sc= 1.06 USER MOD Single : A 85 SER OG : rot -81:sc= 0.637 USER MOD Single : A 86 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.829 -13.867 -5.790 1.00 0.00 N ATOM 2 CA MET A 1 -13.915 -14.367 -4.924 1.00 0.00 C ATOM 3 C MET A 1 -13.605 -14.137 -3.441 1.00 0.00 C ATOM 4 O MET A 1 -14.219 -14.759 -2.588 1.00 0.00 O ATOM 5 CB MET A 1 -14.174 -15.870 -5.157 1.00 0.00 C ATOM 6 CG MET A 1 -12.988 -16.777 -4.832 1.00 0.00 C ATOM 7 SD MET A 1 -13.380 -18.538 -4.952 1.00 0.00 S ATOM 8 CE MET A 1 -14.533 -18.733 -3.585 1.00 0.00 C ATOM 0 H1 MET A 1 -13.015 -14.144 -6.775 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.782 -12.830 -5.725 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.923 -14.275 -5.481 1.00 0.00 H new ATOM 0 HA MET A 1 -14.809 -13.804 -5.191 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.026 -16.177 -4.551 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.454 -16.020 -6.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.167 -16.548 -5.511 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.638 -16.558 -3.823 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.616 -19.789 -3.327 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.171 -18.176 -2.721 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.512 -18.353 -3.877 1.00 0.00 H new ATOM 20 N GLU A 2 -12.708 -13.211 -3.136 1.00 0.00 N ATOM 21 CA GLU A 2 -12.271 -12.987 -1.763 1.00 0.00 C ATOM 22 C GLU A 2 -13.239 -12.052 -1.031 1.00 0.00 C ATOM 23 O GLU A 2 -13.356 -10.885 -1.423 1.00 0.00 O ATOM 24 CB GLU A 2 -10.905 -12.283 -1.752 1.00 0.00 C ATOM 25 CG GLU A 2 -9.821 -12.908 -2.603 1.00 0.00 C ATOM 26 CD GLU A 2 -9.475 -14.308 -2.204 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.987 -14.507 -1.083 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.626 -15.225 -3.030 1.00 0.00 O ATOM 0 H GLU A 2 -12.266 -12.600 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.226 -13.961 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.048 -11.254 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.550 -12.241 -0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.142 -12.905 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.924 -12.291 -2.545 1.00 0.00 H new ATOM 35 N PRO A 3 -13.981 -12.529 -0.011 1.00 0.00 N ATOM 36 CA PRO A 3 -14.736 -11.632 0.849 1.00 0.00 C ATOM 37 C PRO A 3 -13.761 -10.656 1.580 1.00 0.00 C ATOM 38 O PRO A 3 -13.983 -9.442 1.537 1.00 0.00 O ATOM 39 CB PRO A 3 -15.527 -12.551 1.800 1.00 0.00 C ATOM 40 CG PRO A 3 -15.472 -13.900 1.153 1.00 0.00 C ATOM 41 CD PRO A 3 -14.197 -13.937 0.342 1.00 0.00 C ATOM 0 HA PRO A 3 -15.428 -10.987 0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.082 -12.570 2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.555 -12.209 1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.477 -14.690 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.342 -14.060 0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.365 -14.339 0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.302 -14.563 -0.544 1.00 0.00 H new ATOM 49 N PRO A 4 -12.652 -11.148 2.270 1.00 0.00 N ATOM 50 CA PRO A 4 -11.588 -10.282 2.720 1.00 0.00 C ATOM 51 C PRO A 4 -10.509 -10.247 1.620 1.00 0.00 C ATOM 52 O PRO A 4 -9.766 -11.243 1.417 1.00 0.00 O ATOM 53 CB PRO A 4 -11.046 -10.984 3.987 1.00 0.00 C ATOM 54 CG PRO A 4 -11.806 -12.274 4.084 1.00 0.00 C ATOM 55 CD PRO A 4 -12.374 -12.518 2.724 1.00 0.00 C ATOM 0 HA PRO A 4 -11.900 -9.258 2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.974 -11.165 3.908 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.201 -10.369 4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.151 -13.091 4.386 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.597 -12.206 4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.668 -13.031 2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.276 -13.129 2.760 1.00 0.00 H new ATOM 63 N PRO A 5 -10.456 -9.153 0.847 1.00 0.00 N ATOM 64 CA PRO A 5 -9.569 -9.037 -0.305 1.00 0.00 C ATOM 65 C PRO A 5 -8.109 -9.128 0.056 1.00 0.00 C ATOM 66 O PRO A 5 -7.647 -8.492 1.020 1.00 0.00 O ATOM 67 CB PRO A 5 -9.868 -7.650 -0.879 1.00 0.00 C ATOM 68 CG PRO A 5 -11.166 -7.257 -0.288 1.00 0.00 C ATOM 69 CD PRO A 5 -11.252 -7.933 1.040 1.00 0.00 C ATOM 0 HA PRO A 5 -9.746 -9.855 -1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.085 -6.938 -0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.923 -7.678 -1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -11.229 -6.175 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.992 -7.560 -0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.846 -7.309 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.283 -8.163 1.309 1.00 0.00 H new ATOM 77 N LYS A 6 -7.394 -9.923 -0.707 1.00 0.00 N ATOM 78 CA LYS A 6 -5.972 -10.043 -0.564 1.00 0.00 C ATOM 79 C LYS A 6 -5.383 -8.909 -1.352 1.00 0.00 C ATOM 80 O LYS A 6 -5.414 -8.929 -2.588 1.00 0.00 O ATOM 81 CB LYS A 6 -5.488 -11.376 -1.146 1.00 0.00 C ATOM 82 CG LYS A 6 -6.191 -12.604 -0.585 1.00 0.00 C ATOM 83 CD LYS A 6 -5.957 -12.754 0.902 1.00 0.00 C ATOM 84 CE LYS A 6 -6.699 -13.955 1.473 1.00 0.00 C ATOM 85 NZ LYS A 6 -8.174 -13.829 1.335 1.00 0.00 N ATOM 0 H LYS A 6 -7.790 -10.505 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.676 -10.011 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.626 -11.357 -2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.418 -11.471 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.261 -12.531 -0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.834 -13.495 -1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.889 -12.862 1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.282 -11.849 1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.365 -14.860 0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.444 -14.069 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.640 -14.318 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.439 -12.823 1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.476 -14.257 0.437 1.00 0.00 H new ATOM 99 N LEU A 7 -4.931 -7.903 -0.670 1.00 0.00 N ATOM 100 CA LEU A 7 -4.442 -6.731 -1.333 1.00 0.00 C ATOM 101 C LEU A 7 -3.032 -6.968 -1.810 1.00 0.00 C ATOM 102 O LEU A 7 -2.106 -7.119 -1.005 1.00 0.00 O ATOM 103 CB LEU A 7 -4.532 -5.514 -0.408 1.00 0.00 C ATOM 104 CG LEU A 7 -5.930 -5.211 0.171 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.895 -3.969 1.041 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.975 -5.062 -0.934 1.00 0.00 C ATOM 0 H LEU A 7 -4.890 -7.868 0.349 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.063 -6.521 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.840 -5.660 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.190 -4.637 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.219 -6.060 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.891 -3.775 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.199 -4.122 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.569 -3.116 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.947 -4.849 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.691 -4.243 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.033 -5.987 -1.507 1.00 0.00 H new ATOM 118 N VAL A 8 -2.879 -7.068 -3.105 1.00 0.00 N ATOM 119 CA VAL A 8 -1.594 -7.321 -3.699 1.00 0.00 C ATOM 120 C VAL A 8 -1.041 -6.030 -4.277 1.00 0.00 C ATOM 121 O VAL A 8 -1.609 -5.457 -5.209 1.00 0.00 O ATOM 122 CB VAL A 8 -1.667 -8.415 -4.803 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.282 -8.714 -5.372 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.305 -9.694 -4.259 1.00 0.00 C ATOM 0 H VAL A 8 -3.642 -6.976 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.930 -7.693 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.292 -8.032 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.363 -9.482 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.136 -7.806 -5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.371 -9.067 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.346 -10.445 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.710 -10.073 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.315 -9.477 -3.912 1.00 0.00 H new ATOM 134 N LEU A 9 0.028 -5.568 -3.703 1.00 0.00 N ATOM 135 CA LEU A 9 0.675 -4.353 -4.125 1.00 0.00 C ATOM 136 C LEU A 9 1.898 -4.702 -4.945 1.00 0.00 C ATOM 137 O LEU A 9 2.733 -5.506 -4.504 1.00 0.00 O ATOM 138 CB LEU A 9 1.123 -3.492 -2.908 1.00 0.00 C ATOM 139 CG LEU A 9 0.039 -2.836 -2.010 1.00 0.00 C ATOM 140 CD1 LEU A 9 -0.800 -3.862 -1.260 1.00 0.00 C ATOM 141 CD2 LEU A 9 0.689 -1.878 -1.026 1.00 0.00 C ATOM 0 H LEU A 9 0.486 -6.028 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.039 -3.777 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.742 -4.122 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.763 -2.695 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.636 -2.290 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.541 -3.348 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.306 -4.511 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.154 -4.462 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.079 -1.423 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.393 -2.424 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.220 -1.099 -1.573 1.00 0.00 H new ATOM 153 N ASP A 10 1.993 -4.154 -6.132 1.00 0.00 N ATOM 154 CA ASP A 10 3.179 -4.353 -6.959 1.00 0.00 C ATOM 155 C ASP A 10 4.271 -3.436 -6.474 1.00 0.00 C ATOM 156 O ASP A 10 4.192 -2.216 -6.651 1.00 0.00 O ATOM 157 CB ASP A 10 2.910 -4.083 -8.447 1.00 0.00 C ATOM 158 CG ASP A 10 1.936 -5.043 -9.069 1.00 0.00 C ATOM 159 OD1 ASP A 10 2.353 -6.121 -9.545 1.00 0.00 O ATOM 160 OD2 ASP A 10 0.735 -4.732 -9.110 1.00 0.00 O ATOM 0 H ASP A 10 1.272 -3.568 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 10 3.477 -5.398 -6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.528 -3.068 -8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.853 -4.132 -8.992 1.00 0.00 H new ATOM 165 N LEU A 11 5.294 -4.010 -5.880 1.00 0.00 N ATOM 166 CA LEU A 11 6.375 -3.242 -5.281 1.00 0.00 C ATOM 167 C LEU A 11 7.185 -2.509 -6.329 1.00 0.00 C ATOM 168 O LEU A 11 7.636 -1.397 -6.100 1.00 0.00 O ATOM 169 CB LEU A 11 7.278 -4.128 -4.414 1.00 0.00 C ATOM 170 CG LEU A 11 6.616 -4.777 -3.191 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.620 -5.631 -2.435 1.00 0.00 C ATOM 172 CD2 LEU A 11 6.020 -3.715 -2.271 1.00 0.00 C ATOM 0 H LEU A 11 5.404 -5.021 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 11 5.917 -2.495 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.687 -4.919 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.119 -3.527 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 11 5.807 -5.419 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.134 -6.084 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.998 -6.415 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.449 -5.007 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.556 -4.198 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.809 -3.045 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.269 -3.143 -2.815 1.00 0.00 H new ATOM 184 N GLU A 12 7.321 -3.110 -7.492 1.00 0.00 N ATOM 185 CA GLU A 12 8.064 -2.489 -8.580 1.00 0.00 C ATOM 186 C GLU A 12 7.293 -1.282 -9.129 1.00 0.00 C ATOM 187 O GLU A 12 7.877 -0.280 -9.555 1.00 0.00 O ATOM 188 CB GLU A 12 8.364 -3.504 -9.675 1.00 0.00 C ATOM 189 CG GLU A 12 9.073 -4.739 -9.149 1.00 0.00 C ATOM 190 CD GLU A 12 9.492 -5.686 -10.232 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.636 -6.341 -10.822 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.706 -5.807 -10.508 1.00 0.00 O ATOM 0 H GLU A 12 6.930 -4.026 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 12 9.018 -2.131 -8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.431 -3.802 -10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.981 -3.034 -10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.953 -4.432 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.414 -5.260 -8.455 1.00 0.00 H new ATOM 199 N ARG A 13 5.976 -1.359 -9.067 1.00 0.00 N ATOM 200 CA ARG A 13 5.145 -0.248 -9.476 1.00 0.00 C ATOM 201 C ARG A 13 5.188 0.824 -8.389 1.00 0.00 C ATOM 202 O ARG A 13 5.203 2.018 -8.676 1.00 0.00 O ATOM 203 CB ARG A 13 3.703 -0.705 -9.743 1.00 0.00 C ATOM 204 CG ARG A 13 2.756 0.411 -10.172 1.00 0.00 C ATOM 205 CD ARG A 13 3.191 1.072 -11.469 1.00 0.00 C ATOM 206 NE ARG A 13 2.289 2.164 -11.845 1.00 0.00 N ATOM 207 CZ ARG A 13 2.385 2.907 -12.950 1.00 0.00 C ATOM 208 NH1 ARG A 13 3.404 2.747 -13.782 1.00 0.00 N ATOM 209 NH2 ARG A 13 1.457 3.815 -13.210 1.00 0.00 N ATOM 0 H ARG A 13 5.463 -2.177 -8.738 1.00 0.00 H new ATOM 0 HA ARG A 13 5.527 0.166 -10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.716 -1.472 -10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.310 -1.171 -8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.752 0.005 -10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.703 1.162 -9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.205 1.457 -11.360 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.217 0.329 -12.266 1.00 0.00 H new ATOM 0 HE ARG A 13 1.521 2.375 -11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.123 2.052 -13.580 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.470 3.319 -14.624 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.675 3.943 -12.568 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.524 4.386 -14.052 1.00 0.00 H new ATOM 223 N LEU A 14 5.264 0.374 -7.146 1.00 0.00 N ATOM 224 CA LEU A 14 5.359 1.252 -5.988 1.00 0.00 C ATOM 225 C LEU A 14 6.677 2.037 -6.016 1.00 0.00 C ATOM 226 O LEU A 14 6.753 3.165 -5.546 1.00 0.00 O ATOM 227 CB LEU A 14 5.260 0.428 -4.700 1.00 0.00 C ATOM 228 CG LEU A 14 5.286 1.210 -3.392 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.083 2.130 -3.296 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.344 0.263 -2.203 1.00 0.00 C ATOM 0 H LEU A 14 5.262 -0.618 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 14 4.534 1.964 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.337 -0.150 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.083 -0.287 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 14 6.185 1.827 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.119 2.680 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.096 2.834 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.168 1.538 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.362 0.840 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.467 -0.384 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.245 -0.347 -2.267 1.00 0.00 H new ATOM 242 N ALA A 15 7.697 1.437 -6.609 1.00 0.00 N ATOM 243 CA ALA A 15 9.015 2.056 -6.761 1.00 0.00 C ATOM 244 C ALA A 15 9.005 3.143 -7.846 1.00 0.00 C ATOM 245 O ALA A 15 10.025 3.748 -8.147 1.00 0.00 O ATOM 246 CB ALA A 15 10.062 0.997 -7.079 1.00 0.00 C ATOM 0 H ALA A 15 7.638 0.498 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 15 9.270 2.534 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.037 1.471 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.102 0.270 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.797 0.491 -8.007 1.00 0.00 H new ATOM 252 N THR A 16 7.860 3.354 -8.450 1.00 0.00 N ATOM 253 CA THR A 16 7.699 4.373 -9.460 1.00 0.00 C ATOM 254 C THR A 16 6.875 5.548 -8.869 1.00 0.00 C ATOM 255 O THR A 16 6.553 6.540 -9.540 1.00 0.00 O ATOM 256 CB THR A 16 7.021 3.742 -10.709 1.00 0.00 C ATOM 257 OG1 THR A 16 7.738 2.518 -11.046 1.00 0.00 O ATOM 258 CG2 THR A 16 7.078 4.677 -11.917 1.00 0.00 C ATOM 0 H THR A 16 7.012 2.823 -8.255 1.00 0.00 H new ATOM 0 HA THR A 16 8.664 4.773 -9.773 1.00 0.00 H new ATOM 0 HB THR A 16 5.975 3.549 -10.472 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.325 2.102 -11.831 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.594 4.200 -12.769 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.563 5.608 -11.681 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.118 4.890 -12.163 1.00 0.00 H new ATOM 266 N VAL A 17 6.568 5.435 -7.590 1.00 0.00 N ATOM 267 CA VAL A 17 5.829 6.456 -6.895 1.00 0.00 C ATOM 268 C VAL A 17 6.804 7.211 -5.982 1.00 0.00 C ATOM 269 O VAL A 17 7.544 6.586 -5.205 1.00 0.00 O ATOM 270 CB VAL A 17 4.666 5.851 -6.056 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.806 6.948 -5.435 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.812 4.922 -6.909 1.00 0.00 C ATOM 0 H VAL A 17 6.825 4.635 -7.012 1.00 0.00 H new ATOM 0 HA VAL A 17 5.380 7.133 -7.622 1.00 0.00 H new ATOM 0 HB VAL A 17 5.107 5.269 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.002 6.495 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.421 7.566 -4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.380 7.567 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.005 4.510 -6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.389 5.481 -7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.429 4.109 -7.292 1.00 0.00 H new ATOM 282 N PRO A 18 6.860 8.547 -6.096 1.00 0.00 N ATOM 283 CA PRO A 18 7.783 9.379 -5.316 1.00 0.00 C ATOM 284 C PRO A 18 7.533 9.324 -3.786 1.00 0.00 C ATOM 285 O PRO A 18 6.414 9.002 -3.314 1.00 0.00 O ATOM 286 CB PRO A 18 7.558 10.785 -5.878 1.00 0.00 C ATOM 287 CG PRO A 18 6.203 10.744 -6.478 1.00 0.00 C ATOM 288 CD PRO A 18 6.040 9.361 -7.014 1.00 0.00 C ATOM 0 HA PRO A 18 8.812 9.032 -5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 18 7.620 11.539 -5.093 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.312 11.038 -6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.439 10.968 -5.734 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.103 11.485 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.996 9.047 -7.008 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.390 9.284 -8.043 1.00 0.00 H new ATOM 296 N ALA A 19 8.571 9.674 -3.030 1.00 0.00 N ATOM 297 CA ALA A 19 8.605 9.568 -1.566 1.00 0.00 C ATOM 298 C ALA A 19 7.530 10.390 -0.849 1.00 0.00 C ATOM 299 O ALA A 19 7.106 10.025 0.243 1.00 0.00 O ATOM 300 CB ALA A 19 9.981 9.922 -1.041 1.00 0.00 C ATOM 0 H ALA A 19 9.434 10.049 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 19 8.378 8.526 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.988 9.838 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.718 9.239 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.228 10.944 -1.328 1.00 0.00 H new ATOM 306 N GLU A 20 7.083 11.464 -1.452 1.00 0.00 N ATOM 307 CA GLU A 20 6.034 12.290 -0.864 1.00 0.00 C ATOM 308 C GLU A 20 4.720 11.526 -0.698 1.00 0.00 C ATOM 309 O GLU A 20 3.885 11.890 0.120 1.00 0.00 O ATOM 310 CB GLU A 20 5.806 13.610 -1.635 1.00 0.00 C ATOM 311 CG GLU A 20 5.763 13.486 -3.152 1.00 0.00 C ATOM 312 CD GLU A 20 7.138 13.604 -3.775 1.00 0.00 C ATOM 313 OE1 GLU A 20 7.985 12.716 -3.571 1.00 0.00 O ATOM 314 OE2 GLU A 20 7.389 14.596 -4.477 1.00 0.00 O ATOM 0 H GLU A 20 7.425 11.795 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 20 6.395 12.555 0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.867 14.050 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.599 14.308 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.324 12.526 -3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.114 14.261 -3.560 1.00 0.00 H new ATOM 321 N LYS A 21 4.535 10.481 -1.472 1.00 0.00 N ATOM 322 CA LYS A 21 3.336 9.687 -1.354 1.00 0.00 C ATOM 323 C LYS A 21 3.645 8.258 -0.923 1.00 0.00 C ATOM 324 O LYS A 21 2.967 7.703 -0.065 1.00 0.00 O ATOM 325 CB LYS A 21 2.517 9.705 -2.649 1.00 0.00 C ATOM 326 CG LYS A 21 1.963 11.076 -3.019 1.00 0.00 C ATOM 327 CD LYS A 21 1.100 11.010 -4.269 1.00 0.00 C ATOM 328 CE LYS A 21 0.605 12.396 -4.669 1.00 0.00 C ATOM 329 NZ LYS A 21 -0.173 12.380 -5.926 1.00 0.00 N ATOM 0 H LYS A 21 5.193 10.164 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 21 2.730 10.143 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.142 9.346 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.687 9.005 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.374 11.467 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.787 11.771 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.673 10.575 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.248 10.353 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.013 12.802 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.459 13.064 -4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.486 13.346 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.422 12.018 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.004 11.765 -5.812 1.00 0.00 H new ATOM 343 N ALA A 22 4.687 7.673 -1.485 1.00 0.00 N ATOM 344 CA ALA A 22 4.986 6.278 -1.197 1.00 0.00 C ATOM 345 C ALA A 22 6.143 6.092 -0.227 1.00 0.00 C ATOM 346 O ALA A 22 6.443 4.970 0.135 1.00 0.00 O ATOM 347 CB ALA A 22 5.266 5.526 -2.480 1.00 0.00 C ATOM 0 H ALA A 22 5.331 8.129 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 22 4.100 5.872 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.488 4.484 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.392 5.576 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.120 5.976 -2.986 1.00 0.00 H new ATOM 353 N GLY A 23 6.741 7.184 0.224 1.00 0.00 N ATOM 354 CA GLY A 23 7.946 7.131 1.086 1.00 0.00 C ATOM 355 C GLY A 23 7.846 6.179 2.285 1.00 0.00 C ATOM 356 O GLY A 23 8.559 5.160 2.325 1.00 0.00 O ATOM 0 H GLY A 23 6.421 8.130 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.798 6.833 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.154 8.135 1.455 1.00 0.00 H new ATOM 360 N PRO A 24 6.952 6.447 3.262 1.00 0.00 N ATOM 361 CA PRO A 24 6.811 5.593 4.443 1.00 0.00 C ATOM 362 C PRO A 24 6.325 4.192 4.072 1.00 0.00 C ATOM 363 O PRO A 24 6.670 3.208 4.723 1.00 0.00 O ATOM 364 CB PRO A 24 5.760 6.316 5.301 1.00 0.00 C ATOM 365 CG PRO A 24 5.704 7.705 4.770 1.00 0.00 C ATOM 366 CD PRO A 24 6.040 7.607 3.315 1.00 0.00 C ATOM 0 HA PRO A 24 7.761 5.449 4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.788 5.827 5.227 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.040 6.309 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.714 8.137 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.412 8.350 5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.150 7.449 2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.520 8.515 2.950 1.00 0.00 H new ATOM 374 N LEU A 25 5.577 4.117 2.986 1.00 0.00 N ATOM 375 CA LEU A 25 5.007 2.871 2.510 1.00 0.00 C ATOM 376 C LEU A 25 6.095 1.947 1.972 1.00 0.00 C ATOM 377 O LEU A 25 6.099 0.751 2.264 1.00 0.00 O ATOM 378 CB LEU A 25 3.926 3.161 1.452 1.00 0.00 C ATOM 379 CG LEU A 25 3.274 1.960 0.747 1.00 0.00 C ATOM 380 CD1 LEU A 25 2.637 0.998 1.738 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.233 2.449 -0.230 1.00 0.00 C ATOM 0 H LEU A 25 5.347 4.924 2.406 1.00 0.00 H new ATOM 0 HA LEU A 25 4.533 2.353 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.135 3.739 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.368 3.799 0.687 1.00 0.00 H new ATOM 0 HG LEU A 25 4.058 1.419 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.188 0.164 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.399 0.621 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.867 1.519 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.772 1.596 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.469 3.013 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.705 3.092 -0.973 1.00 0.00 H new ATOM 393 N GLN A 26 7.030 2.513 1.221 1.00 0.00 N ATOM 394 CA GLN A 26 8.145 1.750 0.677 1.00 0.00 C ATOM 395 C GLN A 26 9.013 1.237 1.806 1.00 0.00 C ATOM 396 O GLN A 26 9.447 0.085 1.793 1.00 0.00 O ATOM 397 CB GLN A 26 8.974 2.593 -0.290 1.00 0.00 C ATOM 398 CG GLN A 26 8.200 3.078 -1.502 1.00 0.00 C ATOM 399 CD GLN A 26 9.024 3.963 -2.407 1.00 0.00 C ATOM 400 OE1 GLN A 26 9.945 4.660 -1.959 1.00 0.00 O ATOM 401 NE2 GLN A 26 8.696 3.980 -3.668 1.00 0.00 N ATOM 0 H GLN A 26 7.038 3.503 0.974 1.00 0.00 H new ATOM 0 HA GLN A 26 7.743 0.904 0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.371 3.456 0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.828 2.006 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.844 2.217 -2.069 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.319 3.627 -1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.932 3.393 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.203 4.580 -4.319 1.00 0.00 H new ATOM 410 N ARG A 27 9.229 2.084 2.809 1.00 0.00 N ATOM 411 CA ARG A 27 9.999 1.674 3.968 1.00 0.00 C ATOM 412 C ARG A 27 9.304 0.572 4.727 1.00 0.00 C ATOM 413 O ARG A 27 9.936 -0.398 5.124 1.00 0.00 O ATOM 414 CB ARG A 27 10.268 2.812 4.920 1.00 0.00 C ATOM 415 CG ARG A 27 11.268 3.840 4.447 1.00 0.00 C ATOM 416 CD ARG A 27 11.577 4.808 5.573 1.00 0.00 C ATOM 417 NE ARG A 27 10.413 5.616 5.952 1.00 0.00 N ATOM 418 CZ ARG A 27 9.660 5.461 7.060 1.00 0.00 C ATOM 419 NH1 ARG A 27 9.879 4.444 7.908 1.00 0.00 N ATOM 420 NH2 ARG A 27 8.686 6.323 7.304 1.00 0.00 N ATOM 0 H ARG A 27 8.885 3.044 2.839 1.00 0.00 H new ATOM 0 HA ARG A 27 10.950 1.315 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.325 3.318 5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.621 2.396 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.182 3.347 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.870 4.381 3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.927 4.250 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.390 5.467 5.269 1.00 0.00 H new ATOM 0 HE ARG A 27 10.147 6.368 5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.624 3.774 7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.300 4.341 8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.512 7.093 6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.109 6.218 8.138 1.00 0.00 H new ATOM 434 N TYR A 28 8.002 0.721 4.928 1.00 0.00 N ATOM 435 CA TYR A 28 7.219 -0.265 5.652 1.00 0.00 C ATOM 436 C TYR A 28 7.266 -1.603 4.925 1.00 0.00 C ATOM 437 O TYR A 28 7.478 -2.645 5.544 1.00 0.00 O ATOM 438 CB TYR A 28 5.771 0.204 5.838 1.00 0.00 C ATOM 439 CG TYR A 28 4.968 -0.671 6.776 1.00 0.00 C ATOM 440 CD1 TYR A 28 5.030 -0.470 8.145 1.00 0.00 C ATOM 441 CD2 TYR A 28 4.168 -1.706 6.303 1.00 0.00 C ATOM 442 CE1 TYR A 28 4.322 -1.263 9.016 1.00 0.00 C ATOM 443 CE2 TYR A 28 3.456 -2.508 7.175 1.00 0.00 C ATOM 444 CZ TYR A 28 3.536 -2.278 8.531 1.00 0.00 C ATOM 445 OH TYR A 28 2.836 -3.079 9.411 1.00 0.00 O ATOM 0 H TYR A 28 7.465 1.522 4.596 1.00 0.00 H new ATOM 0 HA TYR A 28 7.654 -0.389 6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.775 1.225 6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.278 0.229 4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.647 0.326 8.536 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.102 -1.885 5.240 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.384 -1.088 10.080 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.841 -3.310 6.796 1.00 0.00 H new ATOM 0 HH TYR A 28 2.327 -3.749 8.909 1.00 0.00 H new ATOM 455 N ALA A 29 7.115 -1.555 3.608 1.00 0.00 N ATOM 456 CA ALA A 29 7.185 -2.744 2.769 1.00 0.00 C ATOM 457 C ALA A 29 8.541 -3.426 2.928 1.00 0.00 C ATOM 458 O ALA A 29 8.613 -4.637 3.153 1.00 0.00 O ATOM 459 CB ALA A 29 6.941 -2.380 1.312 1.00 0.00 C ATOM 0 H ALA A 29 6.941 -0.693 3.092 1.00 0.00 H new ATOM 0 HA ALA A 29 6.408 -3.439 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.997 -3.279 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.953 -1.931 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.698 -1.669 0.983 1.00 0.00 H new ATOM 465 N ALA A 30 9.601 -2.627 2.877 1.00 0.00 N ATOM 466 CA ALA A 30 10.962 -3.128 3.022 1.00 0.00 C ATOM 467 C ALA A 30 11.189 -3.694 4.425 1.00 0.00 C ATOM 468 O ALA A 30 11.944 -4.665 4.615 1.00 0.00 O ATOM 469 CB ALA A 30 11.958 -2.025 2.719 1.00 0.00 C ATOM 0 H ALA A 30 9.542 -1.619 2.735 1.00 0.00 H new ATOM 0 HA ALA A 30 11.111 -3.938 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.972 -2.410 2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.813 -1.674 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.806 -1.197 3.412 1.00 0.00 H new ATOM 475 N THR A 31 10.513 -3.101 5.393 1.00 0.00 N ATOM 476 CA THR A 31 10.572 -3.554 6.760 1.00 0.00 C ATOM 477 C THR A 31 9.935 -4.943 6.853 1.00 0.00 C ATOM 478 O THR A 31 10.496 -5.844 7.450 1.00 0.00 O ATOM 479 CB THR A 31 9.859 -2.555 7.720 1.00 0.00 C ATOM 480 OG1 THR A 31 10.452 -1.240 7.584 1.00 0.00 O ATOM 481 CG2 THR A 31 9.978 -3.004 9.172 1.00 0.00 C ATOM 0 H THR A 31 9.909 -2.292 5.247 1.00 0.00 H new ATOM 0 HA THR A 31 11.616 -3.609 7.070 1.00 0.00 H new ATOM 0 HB THR A 31 8.804 -2.524 7.449 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.989 -0.744 6.877 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.471 -2.287 9.817 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.518 -3.985 9.288 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.030 -3.061 9.450 1.00 0.00 H new ATOM 489 N ILE A 32 8.793 -5.118 6.199 1.00 0.00 N ATOM 490 CA ILE A 32 8.103 -6.403 6.188 1.00 0.00 C ATOM 491 C ILE A 32 8.981 -7.468 5.543 1.00 0.00 C ATOM 492 O ILE A 32 9.087 -8.586 6.058 1.00 0.00 O ATOM 493 CB ILE A 32 6.718 -6.326 5.467 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.797 -5.311 6.167 1.00 0.00 C ATOM 495 CG2 ILE A 32 6.041 -7.701 5.392 1.00 0.00 C ATOM 496 CD1 ILE A 32 5.553 -5.596 7.643 1.00 0.00 C ATOM 0 H ILE A 32 8.324 -4.384 5.668 1.00 0.00 H new ATOM 0 HA ILE A 32 7.910 -6.676 7.225 1.00 0.00 H new ATOM 0 HB ILE A 32 6.899 -5.990 4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.232 -4.316 6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.838 -5.292 5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.081 -7.607 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.678 -8.391 4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.882 -8.084 6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.894 -4.833 8.057 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.087 -6.575 7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.503 -5.584 8.178 1.00 0.00 H new ATOM 508 N GLN A 33 9.647 -7.100 4.446 1.00 0.00 N ATOM 509 CA GLN A 33 10.556 -8.005 3.752 1.00 0.00 C ATOM 510 C GLN A 33 11.639 -8.512 4.706 1.00 0.00 C ATOM 511 O GLN A 33 11.771 -9.720 4.932 1.00 0.00 O ATOM 512 CB GLN A 33 11.234 -7.310 2.565 1.00 0.00 C ATOM 513 CG GLN A 33 10.304 -6.827 1.465 1.00 0.00 C ATOM 514 CD GLN A 33 11.079 -6.178 0.335 1.00 0.00 C ATOM 515 OE1 GLN A 33 11.328 -4.972 0.336 1.00 0.00 O ATOM 516 NE2 GLN A 33 11.459 -6.963 -0.635 1.00 0.00 N ATOM 0 H GLN A 33 9.571 -6.176 4.020 1.00 0.00 H new ATOM 0 HA GLN A 33 9.962 -8.842 3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.797 -6.455 2.941 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.956 -8.000 2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.728 -7.667 1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.590 -6.113 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.236 -7.958 -0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.980 -6.582 -1.425 1.00 0.00 H new ATOM 525 N SER A 34 12.353 -7.585 5.306 1.00 0.00 N ATOM 526 CA SER A 34 13.473 -7.901 6.158 1.00 0.00 C ATOM 527 C SER A 34 13.055 -8.601 7.469 1.00 0.00 C ATOM 528 O SER A 34 13.759 -9.503 7.951 1.00 0.00 O ATOM 529 CB SER A 34 14.281 -6.636 6.417 1.00 0.00 C ATOM 530 OG SER A 34 13.448 -5.599 6.921 1.00 0.00 O ATOM 0 H SER A 34 12.170 -6.586 5.214 1.00 0.00 H new ATOM 0 HA SER A 34 14.100 -8.625 5.638 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.078 -6.848 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.759 -6.309 5.493 1.00 0.00 H new ATOM 0 HG SER A 34 13.014 -5.136 6.174 1.00 0.00 H new ATOM 536 N GLN A 35 11.914 -8.210 8.033 1.00 0.00 N ATOM 537 CA GLN A 35 11.412 -8.836 9.259 1.00 0.00 C ATOM 538 C GLN A 35 10.993 -10.275 9.001 1.00 0.00 C ATOM 539 O GLN A 35 11.281 -11.174 9.800 1.00 0.00 O ATOM 540 CB GLN A 35 10.239 -8.050 9.868 1.00 0.00 C ATOM 541 CG GLN A 35 10.591 -6.654 10.362 1.00 0.00 C ATOM 542 CD GLN A 35 11.650 -6.654 11.441 1.00 0.00 C ATOM 543 OE1 GLN A 35 11.759 -7.595 12.228 1.00 0.00 O ATOM 544 NE2 GLN A 35 12.429 -5.609 11.491 1.00 0.00 N ATOM 0 H GLN A 35 11.321 -7.467 7.665 1.00 0.00 H new ATOM 0 HA GLN A 35 12.231 -8.827 9.978 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.450 -7.967 9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.831 -8.622 10.701 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.939 -6.055 9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.691 -6.173 10.745 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.307 -4.850 10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.160 -5.551 12.200 1.00 0.00 H new ATOM 553 N ARG A 36 10.324 -10.501 7.876 1.00 0.00 N ATOM 554 CA ARG A 36 9.881 -11.804 7.512 1.00 0.00 C ATOM 555 C ARG A 36 11.060 -12.658 7.058 1.00 0.00 C ATOM 556 O ARG A 36 11.050 -13.880 7.198 1.00 0.00 O ATOM 557 CB ARG A 36 8.847 -11.660 6.418 1.00 0.00 C ATOM 558 CG ARG A 36 8.106 -12.910 6.086 1.00 0.00 C ATOM 559 CD ARG A 36 6.973 -12.607 5.145 1.00 0.00 C ATOM 560 NE ARG A 36 7.411 -12.229 3.786 1.00 0.00 N ATOM 561 CZ ARG A 36 6.671 -11.500 2.920 1.00 0.00 C ATOM 562 NH1 ARG A 36 5.480 -11.023 3.295 1.00 0.00 N ATOM 563 NH2 ARG A 36 7.115 -11.272 1.682 1.00 0.00 N ATOM 0 H ARG A 36 10.083 -9.773 7.203 1.00 0.00 H new ATOM 0 HA ARG A 36 9.433 -12.308 8.368 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.128 -10.897 6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.341 -11.298 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.783 -13.633 5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.719 -13.365 6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.325 -13.481 5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.374 -11.798 5.562 1.00 0.00 H new ATOM 0 HE ARG A 36 8.334 -12.539 3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.129 -11.209 4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.922 -10.473 2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.016 -11.648 1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.554 -10.722 1.032 1.00 0.00 H new ATOM 577 N GLY A 37 12.083 -12.006 6.568 1.00 0.00 N ATOM 578 CA GLY A 37 13.251 -12.704 6.110 1.00 0.00 C ATOM 579 C GLY A 37 13.096 -13.091 4.679 1.00 0.00 C ATOM 580 O GLY A 37 13.602 -14.116 4.236 1.00 0.00 O ATOM 0 H GLY A 37 12.128 -10.991 6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.131 -12.072 6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.413 -13.594 6.719 1.00 0.00 H new ATOM 584 N ASP A 38 12.390 -12.270 3.964 1.00 0.00 N ATOM 585 CA ASP A 38 12.112 -12.513 2.576 1.00 0.00 C ATOM 586 C ASP A 38 12.680 -11.387 1.728 1.00 0.00 C ATOM 587 O ASP A 38 12.835 -10.264 2.203 1.00 0.00 O ATOM 588 CB ASP A 38 10.603 -12.678 2.364 1.00 0.00 C ATOM 589 CG ASP A 38 10.233 -12.924 0.928 1.00 0.00 C ATOM 590 OD1 ASP A 38 10.960 -13.664 0.233 1.00 0.00 O ATOM 591 OD2 ASP A 38 9.211 -12.395 0.484 1.00 0.00 O ATOM 0 H ASP A 38 11.987 -11.406 4.326 1.00 0.00 H new ATOM 0 HA ASP A 38 12.594 -13.440 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.245 -13.509 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.092 -11.782 2.716 1.00 0.00 H new ATOM 596 N TYR A 39 12.991 -11.681 0.495 1.00 0.00 N ATOM 597 CA TYR A 39 13.600 -10.711 -0.387 1.00 0.00 C ATOM 598 C TYR A 39 12.811 -10.528 -1.675 1.00 0.00 C ATOM 599 O TYR A 39 13.322 -9.974 -2.643 1.00 0.00 O ATOM 600 CB TYR A 39 15.084 -11.055 -0.667 1.00 0.00 C ATOM 601 CG TYR A 39 15.358 -12.493 -1.092 1.00 0.00 C ATOM 602 CD1 TYR A 39 14.937 -12.979 -2.324 1.00 0.00 C ATOM 603 CD2 TYR A 39 16.047 -13.356 -0.253 1.00 0.00 C ATOM 604 CE1 TYR A 39 15.194 -14.280 -2.701 1.00 0.00 C ATOM 605 CE2 TYR A 39 16.311 -14.657 -0.627 1.00 0.00 C ATOM 606 CZ TYR A 39 15.882 -15.112 -1.852 1.00 0.00 C ATOM 607 OH TYR A 39 16.143 -16.415 -2.234 1.00 0.00 O ATOM 0 H TYR A 39 12.832 -12.595 0.070 1.00 0.00 H new ATOM 0 HA TYR A 39 13.577 -9.752 0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.452 -10.388 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 39 15.663 -10.844 0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.400 -12.327 -2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 39 16.383 -13.003 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.856 -14.643 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.851 -15.314 0.038 1.00 0.00 H new ATOM 0 HH TYR A 39 16.639 -16.871 -1.523 1.00 0.00 H new ATOM 617 N ASN A 40 11.562 -10.972 -1.685 1.00 0.00 N ATOM 618 CA ASN A 40 10.717 -10.776 -2.853 1.00 0.00 C ATOM 619 C ASN A 40 10.320 -9.322 -2.924 1.00 0.00 C ATOM 620 O ASN A 40 9.455 -8.864 -2.174 1.00 0.00 O ATOM 621 CB ASN A 40 9.446 -11.635 -2.817 1.00 0.00 C ATOM 622 CG ASN A 40 8.626 -11.533 -4.111 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.805 -10.624 -4.283 1.00 0.00 O ATOM 624 ND2 ASN A 40 8.826 -12.465 -5.014 1.00 0.00 N ATOM 0 H ASN A 40 11.117 -11.463 -0.910 1.00 0.00 H new ATOM 0 HA ASN A 40 11.291 -11.078 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.721 -12.676 -2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.827 -11.326 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.297 -12.452 -5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.510 -13.202 -4.843 1.00 0.00 H new ATOM 631 N GLY A 41 10.991 -8.598 -3.760 1.00 0.00 N ATOM 632 CA GLY A 41 10.691 -7.209 -3.961 1.00 0.00 C ATOM 633 C GLY A 41 9.881 -7.013 -5.206 1.00 0.00 C ATOM 634 O GLY A 41 9.986 -5.990 -5.878 1.00 0.00 O ATOM 0 H GLY A 41 11.764 -8.949 -4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.143 -6.823 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.617 -6.639 -4.031 1.00 0.00 H new ATOM 638 N LYS A 42 9.082 -7.998 -5.524 1.00 0.00 N ATOM 639 CA LYS A 42 8.262 -7.953 -6.707 1.00 0.00 C ATOM 640 C LYS A 42 6.872 -7.485 -6.318 1.00 0.00 C ATOM 641 O LYS A 42 6.405 -6.441 -6.780 1.00 0.00 O ATOM 642 CB LYS A 42 8.201 -9.344 -7.378 1.00 0.00 C ATOM 643 CG LYS A 42 9.574 -9.978 -7.646 1.00 0.00 C ATOM 644 CD LYS A 42 10.438 -9.174 -8.623 1.00 0.00 C ATOM 645 CE LYS A 42 9.924 -9.248 -10.061 1.00 0.00 C ATOM 646 NZ LYS A 42 10.801 -8.500 -10.996 1.00 0.00 N ATOM 0 H LYS A 42 8.981 -8.851 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 42 8.694 -7.257 -7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.622 -10.015 -6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.664 -9.255 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.108 -10.082 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.430 -10.983 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.466 -8.132 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.462 -9.546 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.865 -10.291 -10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.913 -8.843 -10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.297 -8.340 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.057 -7.585 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.664 -9.051 -11.178 1.00 0.00 H new ATOM 660 N VAL A 43 6.234 -8.227 -5.427 1.00 0.00 N ATOM 661 CA VAL A 43 4.891 -7.907 -4.958 1.00 0.00 C ATOM 662 C VAL A 43 4.792 -8.141 -3.460 1.00 0.00 C ATOM 663 O VAL A 43 5.587 -8.882 -2.891 1.00 0.00 O ATOM 664 CB VAL A 43 3.779 -8.748 -5.670 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.681 -8.413 -7.146 1.00 0.00 C ATOM 666 CG2 VAL A 43 4.014 -10.244 -5.488 1.00 0.00 C ATOM 0 H VAL A 43 6.630 -9.068 -5.007 1.00 0.00 H new ATOM 0 HA VAL A 43 4.723 -6.857 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 43 2.833 -8.484 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.898 -9.017 -7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.440 -7.357 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.634 -8.624 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.225 -10.800 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.980 -10.515 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.005 -10.487 -4.425 1.00 0.00 H new ATOM 676 N LEU A 44 3.847 -7.498 -2.836 1.00 0.00 N ATOM 677 CA LEU A 44 3.595 -7.669 -1.421 1.00 0.00 C ATOM 678 C LEU A 44 2.098 -7.795 -1.230 1.00 0.00 C ATOM 679 O LEU A 44 1.336 -7.034 -1.823 1.00 0.00 O ATOM 680 CB LEU A 44 4.123 -6.459 -0.631 1.00 0.00 C ATOM 681 CG LEU A 44 4.009 -6.532 0.901 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.903 -7.627 1.464 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.346 -5.191 1.529 1.00 0.00 C ATOM 0 H LEU A 44 3.221 -6.834 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 44 4.106 -8.559 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.173 -6.317 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.589 -5.572 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 44 2.977 -6.778 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.803 -7.657 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.607 -8.589 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.940 -7.421 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.259 -5.265 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.366 -4.912 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.655 -4.433 1.160 1.00 0.00 H new ATOM 695 N SER A 45 1.671 -8.744 -0.454 1.00 0.00 N ATOM 696 CA SER A 45 0.271 -8.924 -0.225 1.00 0.00 C ATOM 697 C SER A 45 -0.028 -8.773 1.255 1.00 0.00 C ATOM 698 O SER A 45 0.459 -9.554 2.095 1.00 0.00 O ATOM 699 CB SER A 45 -0.202 -10.285 -0.758 1.00 0.00 C ATOM 700 OG SER A 45 -1.616 -10.395 -0.691 1.00 0.00 O ATOM 0 H SER A 45 2.274 -9.407 0.032 1.00 0.00 H new ATOM 0 HA SER A 45 -0.280 -8.157 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.127 -10.410 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.256 -11.086 -0.178 1.00 0.00 H new ATOM 0 HG SER A 45 -1.893 -11.269 -1.037 1.00 0.00 H new ATOM 706 N ILE A 46 -0.800 -7.772 1.578 1.00 0.00 N ATOM 707 CA ILE A 46 -1.156 -7.506 2.941 1.00 0.00 C ATOM 708 C ILE A 46 -2.646 -7.716 3.172 1.00 0.00 C ATOM 709 O ILE A 46 -3.415 -7.907 2.215 1.00 0.00 O ATOM 710 CB ILE A 46 -0.639 -6.110 3.461 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.017 -4.922 2.536 1.00 0.00 C ATOM 712 CG2 ILE A 46 0.865 -6.144 3.698 1.00 0.00 C ATOM 713 CD1 ILE A 46 -2.467 -4.489 2.597 1.00 0.00 C ATOM 0 H ILE A 46 -1.199 -7.119 0.903 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.631 -8.239 3.553 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.151 -5.935 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.389 -4.069 2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.779 -5.194 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.199 -5.170 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.099 -6.905 4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.375 -6.382 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.626 -3.654 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.108 -5.322 2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.712 -4.179 3.613 1.00 0.00 H new ATOM 725 N ARG A 47 -3.039 -7.689 4.412 1.00 0.00 N ATOM 726 CA ARG A 47 -4.393 -7.971 4.804 1.00 0.00 C ATOM 727 C ARG A 47 -5.130 -6.674 5.097 1.00 0.00 C ATOM 728 O ARG A 47 -4.541 -5.581 5.086 1.00 0.00 O ATOM 729 CB ARG A 47 -4.420 -8.865 6.075 1.00 0.00 C ATOM 730 CG ARG A 47 -3.928 -10.325 5.941 1.00 0.00 C ATOM 731 CD ARG A 47 -2.452 -10.468 5.552 1.00 0.00 C ATOM 732 NE ARG A 47 -1.560 -9.655 6.400 1.00 0.00 N ATOM 733 CZ ARG A 47 -0.324 -9.973 6.781 1.00 0.00 C ATOM 734 NH1 ARG A 47 0.139 -11.199 6.608 1.00 0.00 N ATOM 735 NH2 ARG A 47 0.428 -9.054 7.378 1.00 0.00 N ATOM 0 H ARG A 47 -2.421 -7.467 5.192 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.882 -8.498 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.816 -8.377 6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.445 -8.890 6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.092 -10.838 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.538 -10.833 5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.161 -11.516 5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.325 -10.174 4.510 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.926 -8.761 6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.452 -11.911 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.087 -11.433 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.057 -8.118 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.376 -9.285 7.675 1.00 0.00 H new ATOM 749 N GLN A 48 -6.400 -6.802 5.411 1.00 0.00 N ATOM 750 CA GLN A 48 -7.247 -5.666 5.744 1.00 0.00 C ATOM 751 C GLN A 48 -6.827 -5.082 7.083 1.00 0.00 C ATOM 752 O GLN A 48 -6.959 -3.885 7.333 1.00 0.00 O ATOM 753 CB GLN A 48 -8.708 -6.113 5.772 1.00 0.00 C ATOM 754 CG GLN A 48 -9.173 -6.638 4.427 1.00 0.00 C ATOM 755 CD GLN A 48 -9.167 -5.560 3.368 1.00 0.00 C ATOM 756 OE1 GLN A 48 -9.422 -4.394 3.653 1.00 0.00 O ATOM 757 NE2 GLN A 48 -8.794 -5.918 2.171 1.00 0.00 N ATOM 0 H GLN A 48 -6.882 -7.700 5.444 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.137 -4.889 4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.834 -6.890 6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.337 -5.274 6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.526 -7.458 4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.179 -7.045 4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.590 -6.897 1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.706 -5.219 1.434 1.00 0.00 H new ATOM 766 N ASP A 49 -6.271 -5.938 7.921 1.00 0.00 N ATOM 767 CA ASP A 49 -5.776 -5.537 9.229 1.00 0.00 C ATOM 768 C ASP A 49 -4.572 -4.627 9.076 1.00 0.00 C ATOM 769 O ASP A 49 -4.399 -3.654 9.830 1.00 0.00 O ATOM 770 CB ASP A 49 -5.409 -6.762 10.080 1.00 0.00 C ATOM 771 CG ASP A 49 -6.600 -7.638 10.406 1.00 0.00 C ATOM 772 OD1 ASP A 49 -7.305 -7.362 11.403 1.00 0.00 O ATOM 773 OD2 ASP A 49 -6.857 -8.623 9.675 1.00 0.00 O ATOM 0 H ASP A 49 -6.149 -6.930 7.716 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.571 -4.994 9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.664 -7.355 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.947 -6.427 11.009 1.00 0.00 H new ATOM 778 N ASP A 50 -3.753 -4.921 8.074 1.00 0.00 N ATOM 779 CA ASP A 50 -2.579 -4.115 7.782 1.00 0.00 C ATOM 780 C ASP A 50 -3.032 -2.795 7.230 1.00 0.00 C ATOM 781 O ASP A 50 -2.531 -1.766 7.619 1.00 0.00 O ATOM 782 CB ASP A 50 -1.649 -4.786 6.764 1.00 0.00 C ATOM 783 CG ASP A 50 -1.220 -6.170 7.160 1.00 0.00 C ATOM 784 OD1 ASP A 50 -1.949 -7.111 6.852 1.00 0.00 O ATOM 785 OD2 ASP A 50 -0.146 -6.351 7.769 1.00 0.00 O ATOM 0 H ASP A 50 -3.883 -5.716 7.448 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.018 -3.990 8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.154 -4.834 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.763 -4.165 6.629 1.00 0.00 H new ATOM 790 N LEU A 51 -4.033 -2.836 6.352 1.00 0.00 N ATOM 791 CA LEU A 51 -4.611 -1.624 5.740 1.00 0.00 C ATOM 792 C LEU A 51 -5.038 -0.623 6.832 1.00 0.00 C ATOM 793 O LEU A 51 -4.737 0.577 6.753 1.00 0.00 O ATOM 794 CB LEU A 51 -5.823 -2.007 4.871 1.00 0.00 C ATOM 795 CG LEU A 51 -6.501 -0.868 4.100 1.00 0.00 C ATOM 796 CD1 LEU A 51 -5.569 -0.293 3.044 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.798 -1.343 3.470 1.00 0.00 C ATOM 0 H LEU A 51 -4.470 -3.703 6.041 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.856 -1.151 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.503 -2.761 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.569 -2.475 5.513 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.736 -0.075 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.075 0.513 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.671 0.097 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.292 -1.076 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.262 -0.519 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.589 -2.160 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.475 -1.692 4.250 1.00 0.00 H new ATOM 809 N ARG A 52 -5.675 -1.156 7.881 1.00 0.00 N ATOM 810 CA ARG A 52 -6.144 -0.366 9.034 1.00 0.00 C ATOM 811 C ARG A 52 -4.972 0.245 9.806 1.00 0.00 C ATOM 812 O ARG A 52 -5.126 1.252 10.498 1.00 0.00 O ATOM 813 CB ARG A 52 -6.958 -1.244 9.992 1.00 0.00 C ATOM 814 CG ARG A 52 -8.222 -1.849 9.398 1.00 0.00 C ATOM 815 CD ARG A 52 -9.228 -0.788 8.991 1.00 0.00 C ATOM 816 NE ARG A 52 -9.672 0.022 10.133 1.00 0.00 N ATOM 817 CZ ARG A 52 -10.540 1.042 10.057 1.00 0.00 C ATOM 818 NH1 ARG A 52 -11.112 1.352 8.896 1.00 0.00 N ATOM 819 NH2 ARG A 52 -10.865 1.724 11.149 1.00 0.00 N ATOM 0 H ARG A 52 -5.882 -2.152 7.958 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.769 0.436 8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.320 -2.052 10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.234 -0.647 10.861 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.960 -2.452 8.528 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.678 -2.520 10.126 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.783 -0.138 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.092 -1.267 8.529 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.292 -0.208 11.051 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.891 0.813 8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.771 2.128 8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.454 1.473 12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.525 2.499 11.089 1.00 0.00 H new ATOM 833 N THR A 53 -3.824 -0.368 9.685 1.00 0.00 N ATOM 834 CA THR A 53 -2.641 0.085 10.361 1.00 0.00 C ATOM 835 C THR A 53 -1.924 1.138 9.489 1.00 0.00 C ATOM 836 O THR A 53 -1.686 2.271 9.929 1.00 0.00 O ATOM 837 CB THR A 53 -1.699 -1.115 10.644 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.430 -2.159 11.343 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.513 -0.681 11.493 1.00 0.00 C ATOM 0 H THR A 53 -3.685 -1.200 9.111 1.00 0.00 H new ATOM 0 HA THR A 53 -2.917 0.539 11.313 1.00 0.00 H new ATOM 0 HB THR A 53 -1.331 -1.494 9.691 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.039 -2.606 10.719 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.134 -1.538 11.679 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.049 0.090 10.966 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.871 -0.284 12.443 1.00 0.00 H new ATOM 847 N LEU A 54 -1.668 0.763 8.231 1.00 0.00 N ATOM 848 CA LEU A 54 -0.965 1.594 7.250 1.00 0.00 C ATOM 849 C LEU A 54 -1.570 2.975 7.113 1.00 0.00 C ATOM 850 O LEU A 54 -0.846 3.968 7.146 1.00 0.00 O ATOM 851 CB LEU A 54 -0.902 0.905 5.872 1.00 0.00 C ATOM 852 CG LEU A 54 0.262 -0.082 5.616 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.298 -1.207 6.626 1.00 0.00 C ATOM 854 CD2 LEU A 54 0.175 -0.644 4.207 1.00 0.00 C ATOM 0 H LEU A 54 -1.950 -0.144 7.860 1.00 0.00 H new ATOM 0 HA LEU A 54 0.049 1.717 7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.838 0.366 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.857 1.683 5.110 1.00 0.00 H new ATOM 0 HG LEU A 54 1.189 0.480 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.133 -1.871 6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.422 -0.794 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.635 -1.769 6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.000 -1.337 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.772 -1.170 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.234 0.171 3.486 1.00 0.00 H new ATOM 866 N ALA A 55 -2.893 3.036 7.003 1.00 0.00 N ATOM 867 CA ALA A 55 -3.606 4.302 6.851 1.00 0.00 C ATOM 868 C ALA A 55 -3.238 5.291 7.959 1.00 0.00 C ATOM 869 O ALA A 55 -2.950 6.455 7.689 1.00 0.00 O ATOM 870 CB ALA A 55 -5.112 4.064 6.823 1.00 0.00 C ATOM 0 H ALA A 55 -3.499 2.216 7.016 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.302 4.743 5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.629 5.017 6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.362 3.413 5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.423 3.591 7.755 1.00 0.00 H new ATOM 876 N VAL A 56 -3.156 4.798 9.179 1.00 0.00 N ATOM 877 CA VAL A 56 -2.885 5.642 10.328 1.00 0.00 C ATOM 878 C VAL A 56 -1.426 6.087 10.325 1.00 0.00 C ATOM 879 O VAL A 56 -1.119 7.235 10.643 1.00 0.00 O ATOM 880 CB VAL A 56 -3.219 4.921 11.657 1.00 0.00 C ATOM 881 CG1 VAL A 56 -3.034 5.853 12.853 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.636 4.377 11.620 1.00 0.00 C ATOM 0 H VAL A 56 -3.274 3.810 9.402 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.528 6.519 10.253 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.526 4.088 11.773 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.276 5.319 13.772 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.999 6.193 12.893 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.695 6.714 12.749 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.857 3.873 12.561 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.337 5.199 11.475 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.732 3.669 10.797 1.00 0.00 H new ATOM 892 N ILE A 57 -0.540 5.192 9.910 1.00 0.00 N ATOM 893 CA ILE A 57 0.897 5.479 9.859 1.00 0.00 C ATOM 894 C ILE A 57 1.162 6.630 8.887 1.00 0.00 C ATOM 895 O ILE A 57 1.983 7.512 9.144 1.00 0.00 O ATOM 896 CB ILE A 57 1.724 4.245 9.379 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.402 3.009 10.216 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.225 4.549 9.446 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.121 1.754 9.753 1.00 0.00 C ATOM 0 H ILE A 57 -0.789 4.252 9.600 1.00 0.00 H new ATOM 0 HA ILE A 57 1.206 5.740 10.871 1.00 0.00 H new ATOM 0 HB ILE A 57 1.450 4.039 8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.666 3.206 11.255 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.327 2.832 10.188 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.788 3.679 9.108 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.453 5.400 8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.503 4.784 10.473 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.843 0.918 10.395 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.838 1.531 8.724 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.198 1.911 9.808 1.00 0.00 H new ATOM 911 N TYR A 58 0.425 6.638 7.790 1.00 0.00 N ATOM 912 CA TYR A 58 0.637 7.635 6.753 1.00 0.00 C ATOM 913 C TYR A 58 -0.270 8.841 6.973 1.00 0.00 C ATOM 914 O TYR A 58 -0.309 9.761 6.151 1.00 0.00 O ATOM 915 CB TYR A 58 0.425 7.021 5.353 1.00 0.00 C ATOM 916 CG TYR A 58 1.119 5.675 5.171 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.351 5.411 5.756 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.504 4.653 4.473 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.947 4.179 5.639 1.00 0.00 C ATOM 920 CE2 TYR A 58 1.093 3.411 4.360 1.00 0.00 C ATOM 921 CZ TYR A 58 2.315 3.183 4.951 1.00 0.00 C ATOM 922 OH TYR A 58 2.902 1.947 4.859 1.00 0.00 O ATOM 0 H TYR A 58 -0.321 5.971 7.594 1.00 0.00 H new ATOM 0 HA TYR A 58 1.670 7.979 6.811 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.643 6.897 5.177 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.794 7.717 4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.850 6.190 6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.455 4.830 4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.912 3.999 6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.599 2.623 3.812 1.00 0.00 H new ATOM 0 HH TYR A 58 3.173 1.646 5.751 1.00 0.00 H new ATOM 932 N ASP A 59 -1.006 8.808 8.102 1.00 0.00 N ATOM 933 CA ASP A 59 -1.881 9.911 8.565 1.00 0.00 C ATOM 934 C ASP A 59 -3.070 10.121 7.597 1.00 0.00 C ATOM 935 O ASP A 59 -3.711 11.177 7.566 1.00 0.00 O ATOM 936 CB ASP A 59 -1.025 11.198 8.743 1.00 0.00 C ATOM 937 CG ASP A 59 -1.745 12.358 9.392 1.00 0.00 C ATOM 938 OD1 ASP A 59 -1.933 12.340 10.624 1.00 0.00 O ATOM 939 OD2 ASP A 59 -2.066 13.339 8.699 1.00 0.00 O ATOM 0 H ASP A 59 -1.011 8.004 8.729 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.317 9.655 9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.148 10.953 9.342 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.664 11.515 7.764 1.00 0.00 H new ATOM 944 N GLN A 60 -3.409 9.081 6.873 1.00 0.00 N ATOM 945 CA GLN A 60 -4.452 9.155 5.871 1.00 0.00 C ATOM 946 C GLN A 60 -5.690 8.393 6.293 1.00 0.00 C ATOM 947 O GLN A 60 -5.642 7.517 7.160 1.00 0.00 O ATOM 948 CB GLN A 60 -3.962 8.638 4.511 1.00 0.00 C ATOM 949 CG GLN A 60 -2.839 9.463 3.901 1.00 0.00 C ATOM 950 CD GLN A 60 -3.229 10.917 3.726 1.00 0.00 C ATOM 951 OE1 GLN A 60 -3.026 11.735 4.611 1.00 0.00 O ATOM 952 NE2 GLN A 60 -3.804 11.245 2.603 1.00 0.00 N ATOM 0 H GLN A 60 -2.974 8.163 6.959 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.714 10.208 5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.621 7.609 4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.803 8.619 3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.956 9.399 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.566 9.043 2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.959 10.538 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.099 12.208 2.443 1.00 0.00 H new ATOM 961 N SER A 61 -6.791 8.737 5.697 1.00 0.00 N ATOM 962 CA SER A 61 -8.028 8.073 5.962 1.00 0.00 C ATOM 963 C SER A 61 -8.180 6.854 5.001 1.00 0.00 C ATOM 964 O SER A 61 -7.769 6.931 3.838 1.00 0.00 O ATOM 965 CB SER A 61 -9.143 9.089 5.811 1.00 0.00 C ATOM 966 OG SER A 61 -8.859 10.238 6.616 1.00 0.00 O ATOM 0 H SER A 61 -6.856 9.489 5.011 1.00 0.00 H new ATOM 0 HA SER A 61 -8.065 7.675 6.976 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.243 9.381 4.766 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.093 8.648 6.111 1.00 0.00 H new ATOM 0 HG SER A 61 -9.580 10.894 6.516 1.00 0.00 H new ATOM 972 N PRO A 62 -8.740 5.717 5.497 1.00 0.00 N ATOM 973 CA PRO A 62 -8.857 4.435 4.752 1.00 0.00 C ATOM 974 C PRO A 62 -9.333 4.529 3.291 1.00 0.00 C ATOM 975 O PRO A 62 -8.734 3.902 2.407 1.00 0.00 O ATOM 976 CB PRO A 62 -9.861 3.646 5.580 1.00 0.00 C ATOM 977 CG PRO A 62 -9.625 4.109 6.964 1.00 0.00 C ATOM 978 CD PRO A 62 -9.303 5.576 6.861 1.00 0.00 C ATOM 0 HA PRO A 62 -7.869 3.986 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.884 3.844 5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.700 2.572 5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.505 3.945 7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.803 3.560 7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.193 6.192 6.993 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.587 5.883 7.623 1.00 0.00 H new ATOM 986 N SER A 63 -10.370 5.312 3.021 1.00 0.00 N ATOM 987 CA SER A 63 -10.919 5.386 1.674 1.00 0.00 C ATOM 988 C SER A 63 -9.913 6.019 0.712 1.00 0.00 C ATOM 989 O SER A 63 -9.565 5.425 -0.311 1.00 0.00 O ATOM 990 CB SER A 63 -12.232 6.164 1.672 1.00 0.00 C ATOM 991 OG SER A 63 -13.111 5.656 2.667 1.00 0.00 O ATOM 0 H SER A 63 -10.843 5.898 3.709 1.00 0.00 H new ATOM 0 HA SER A 63 -11.122 4.371 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.036 7.220 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.703 6.093 0.691 1.00 0.00 H new ATOM 0 HG SER A 63 -13.948 6.166 2.655 1.00 0.00 H new ATOM 997 N VAL A 64 -9.378 7.173 1.090 1.00 0.00 N ATOM 998 CA VAL A 64 -8.436 7.874 0.230 1.00 0.00 C ATOM 999 C VAL A 64 -7.110 7.126 0.138 1.00 0.00 C ATOM 1000 O VAL A 64 -6.421 7.208 -0.862 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.205 9.358 0.647 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -9.503 10.133 0.613 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -7.558 9.471 2.018 1.00 0.00 C ATOM 0 H VAL A 64 -9.578 7.638 1.976 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.895 7.899 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.516 9.791 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.318 11.166 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.913 10.112 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.215 9.681 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.416 10.522 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.202 9.005 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.592 8.967 2.007 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.783 6.370 1.181 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.570 5.576 1.201 1.00 0.00 C ATOM 1015 C LEU A 65 -5.690 4.471 0.150 1.00 0.00 C ATOM 1016 O LEU A 65 -4.778 4.262 -0.651 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.334 5.015 2.637 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.987 4.297 2.952 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.889 2.916 2.324 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.806 5.159 2.532 1.00 0.00 C ATOM 0 H LEU A 65 -7.348 6.294 2.026 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.701 6.184 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.437 5.845 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.140 4.314 2.854 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.959 4.153 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.929 2.467 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.695 2.287 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.972 3.002 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.876 4.639 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.859 5.352 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.835 6.105 3.073 1.00 0.00 H new ATOM 1032 N THR A 66 -6.835 3.811 0.136 1.00 0.00 N ATOM 1033 CA THR A 66 -7.110 2.764 -0.825 1.00 0.00 C ATOM 1034 C THR A 66 -7.098 3.354 -2.249 1.00 0.00 C ATOM 1035 O THR A 66 -6.487 2.785 -3.168 1.00 0.00 O ATOM 1036 CB THR A 66 -8.483 2.107 -0.526 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.514 1.681 0.851 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.721 0.897 -1.424 1.00 0.00 C ATOM 0 H THR A 66 -7.597 3.987 0.790 1.00 0.00 H new ATOM 0 HA THR A 66 -6.338 1.998 -0.750 1.00 0.00 H new ATOM 0 HB THR A 66 -9.265 2.842 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.735 2.444 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.691 0.457 -1.192 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.705 1.210 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.938 0.158 -1.255 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.727 4.524 -2.400 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.784 5.212 -3.676 1.00 0.00 C ATOM 1048 C GLU A 67 -6.392 5.572 -4.187 1.00 0.00 C ATOM 1049 O GLU A 67 -6.117 5.395 -5.368 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.685 6.447 -3.618 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.156 6.132 -3.381 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.023 7.366 -3.372 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.313 7.914 -4.460 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -11.457 7.809 -2.282 1.00 0.00 O ATOM 0 H GLU A 67 -8.205 5.011 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.227 4.516 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.332 7.104 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.589 6.998 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.507 5.452 -4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.263 5.611 -2.429 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.516 6.050 -3.286 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.123 6.379 -3.613 1.00 0.00 C ATOM 1063 C GLN A 68 -3.425 5.207 -4.294 1.00 0.00 C ATOM 1064 O GLN A 68 -2.966 5.325 -5.438 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.348 6.775 -2.352 1.00 0.00 C ATOM 1066 CG GLN A 68 -3.623 8.180 -1.830 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.158 9.265 -2.786 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -2.211 9.087 -3.537 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -3.801 10.391 -2.755 1.00 0.00 N ATOM 0 H GLN A 68 -5.757 6.218 -2.309 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.140 7.223 -4.302 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.582 6.060 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.281 6.685 -2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.692 8.293 -1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.124 8.310 -0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.588 10.511 -2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.519 11.156 -3.368 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.412 4.066 -3.618 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.786 2.842 -4.130 1.00 0.00 C ATOM 1080 C LEU A 69 -3.330 2.449 -5.505 1.00 0.00 C ATOM 1081 O LEU A 69 -2.576 2.012 -6.395 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.970 1.682 -3.140 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.976 1.558 -1.967 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.585 1.253 -2.481 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -1.953 2.803 -1.089 1.00 0.00 C ATOM 0 H LEU A 69 -3.835 3.957 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.722 3.052 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.973 1.759 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.933 0.752 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.320 0.731 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.103 1.169 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.599 0.314 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.256 2.057 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.237 2.664 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.660 3.665 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.946 2.972 -0.671 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.615 2.631 -5.682 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.270 2.313 -6.929 1.00 0.00 C ATOM 1099 C ILE A 70 -4.921 3.339 -8.021 1.00 0.00 C ATOM 1100 O ILE A 70 -4.682 2.964 -9.169 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.804 2.189 -6.732 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.091 1.024 -5.774 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.527 1.988 -8.069 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.543 0.853 -5.417 1.00 0.00 C ATOM 0 H ILE A 70 -5.238 3.004 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.900 1.345 -7.266 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.182 3.117 -6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.730 0.101 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.520 1.174 -4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.600 1.905 -7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.331 2.840 -8.720 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.166 1.076 -8.545 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.653 0.008 -4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.908 1.759 -4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.121 0.668 -6.322 1.00 0.00 H new ATOM 1116 N SER A 71 -4.838 4.609 -7.653 1.00 0.00 N ATOM 1117 CA SER A 71 -4.519 5.666 -8.605 1.00 0.00 C ATOM 1118 C SER A 71 -3.062 5.596 -9.095 1.00 0.00 C ATOM 1119 O SER A 71 -2.736 6.091 -10.176 1.00 0.00 O ATOM 1120 CB SER A 71 -4.874 7.057 -8.035 1.00 0.00 C ATOM 1121 OG SER A 71 -4.274 7.295 -6.759 1.00 0.00 O ATOM 0 H SER A 71 -4.988 4.935 -6.698 1.00 0.00 H new ATOM 0 HA SER A 71 -5.142 5.503 -9.485 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.549 7.827 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.957 7.144 -7.946 1.00 0.00 H new ATOM 0 HG SER A 71 -3.796 6.491 -6.467 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.196 4.962 -8.304 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.797 4.792 -8.702 1.00 0.00 C ATOM 1129 C TRP A 72 -0.657 3.547 -9.566 1.00 0.00 C ATOM 1130 O TRP A 72 0.370 3.326 -10.211 1.00 0.00 O ATOM 1131 CB TRP A 72 0.124 4.624 -7.487 1.00 0.00 C ATOM 1132 CG TRP A 72 0.039 5.689 -6.446 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.244 7.007 -6.625 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.286 5.517 -5.049 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.234 7.652 -5.417 1.00 0.00 N ATOM 1136 CE2 TRP A 72 0.096 6.761 -4.437 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.634 4.424 -4.255 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.241 6.947 -3.067 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.783 4.612 -2.898 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.585 5.864 -2.316 1.00 0.00 C ATOM 0 H TRP A 72 -2.433 4.562 -7.396 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.507 5.688 -9.250 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.100 3.666 -7.017 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.153 4.572 -7.842 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.446 7.475 -7.577 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.440 8.640 -5.273 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.784 3.449 -4.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.086 7.915 -2.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.058 3.775 -2.274 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.707 5.977 -1.249 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.681 2.720 -9.555 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.642 1.473 -10.286 1.00 0.00 C ATOM 1153 C GLY A 73 -0.883 0.411 -9.524 1.00 0.00 C ATOM 1154 O GLY A 73 -0.426 -0.575 -10.095 1.00 0.00 O ATOM 0 H GLY A 73 -2.550 2.889 -9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.659 1.129 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.172 1.633 -11.256 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.740 0.616 -8.229 1.00 0.00 N ATOM 1159 CA VAL A 74 -0.017 -0.319 -7.380 1.00 0.00 C ATOM 1160 C VAL A 74 -0.973 -1.387 -6.862 1.00 0.00 C ATOM 1161 O VAL A 74 -0.604 -2.556 -6.712 1.00 0.00 O ATOM 1162 CB VAL A 74 0.674 0.413 -6.184 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.408 -0.570 -5.278 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.649 1.459 -6.694 1.00 0.00 C ATOM 0 H VAL A 74 -1.116 1.426 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 74 0.764 -0.789 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.109 0.900 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.877 -0.028 -4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.699 -1.294 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.174 -1.092 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.121 1.959 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.413 0.977 -7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.113 2.193 -7.296 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.198 -0.984 -6.622 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.205 -1.879 -6.117 1.00 0.00 C ATOM 1176 C LEU A 75 -4.324 -2.030 -7.137 1.00 0.00 C ATOM 1177 O LEU A 75 -4.614 -1.090 -7.904 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.754 -1.350 -4.784 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.799 -2.209 -4.063 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.216 -3.557 -3.666 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.340 -1.478 -2.843 1.00 0.00 C ATOM 0 H LEU A 75 -2.522 -0.028 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.761 -2.859 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.912 -1.204 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.191 -0.368 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.624 -2.389 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.978 -4.147 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.884 -4.087 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.368 -3.404 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.081 -2.103 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.522 -1.264 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.805 -0.543 -3.156 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.916 -3.207 -7.147 1.00 0.00 N ATOM 1194 CA ASP A 76 -6.026 -3.559 -8.031 1.00 0.00 C ATOM 1195 C ASP A 76 -7.244 -2.675 -7.728 1.00 0.00 C ATOM 1196 O ASP A 76 -7.540 -2.381 -6.560 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.369 -5.038 -7.827 1.00 0.00 C ATOM 1198 CG ASP A 76 -7.473 -5.560 -8.722 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -8.660 -5.300 -8.444 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -7.173 -6.296 -9.691 1.00 0.00 O ATOM 0 H ASP A 76 -4.637 -3.969 -6.528 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.739 -3.394 -9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.471 -5.632 -7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.660 -5.190 -6.788 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.945 -2.277 -8.772 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.056 -1.335 -8.674 1.00 0.00 C ATOM 1207 C ALA A 77 -10.268 -1.880 -7.915 1.00 0.00 C ATOM 1208 O ALA A 77 -10.989 -1.127 -7.291 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.469 -0.868 -10.057 1.00 0.00 C ATOM 0 H ALA A 77 -7.762 -2.598 -9.723 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.688 -0.493 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.298 -0.166 -9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.626 -0.376 -10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.780 -1.726 -10.653 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.459 -3.176 -7.927 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.646 -3.796 -7.315 1.00 0.00 C ATOM 1217 C ASP A 78 -11.609 -3.719 -5.792 1.00 0.00 C ATOM 1218 O ASP A 78 -12.655 -3.784 -5.126 1.00 0.00 O ATOM 1219 CB ASP A 78 -11.808 -5.248 -7.782 1.00 0.00 C ATOM 1220 CG ASP A 78 -13.031 -5.929 -7.218 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -14.146 -5.700 -7.734 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -12.904 -6.744 -6.280 1.00 0.00 O ATOM 0 H ASP A 78 -9.812 -3.840 -8.353 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.514 -3.227 -7.648 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.861 -5.267 -8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.922 -5.814 -7.496 1.00 0.00 H new ATOM 1227 N ALA A 79 -10.411 -3.523 -5.246 1.00 0.00 N ATOM 1228 CA ALA A 79 -10.191 -3.451 -3.799 1.00 0.00 C ATOM 1229 C ALA A 79 -11.112 -2.422 -3.129 1.00 0.00 C ATOM 1230 O ALA A 79 -11.661 -2.676 -2.045 1.00 0.00 O ATOM 1231 CB ALA A 79 -8.742 -3.119 -3.509 1.00 0.00 C ATOM 0 H ALA A 79 -9.559 -3.409 -5.796 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.431 -4.429 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.589 -3.068 -2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.100 -3.893 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.492 -2.157 -3.957 1.00 0.00 H new ATOM 1237 N ARG A 80 -11.328 -1.290 -3.804 1.00 0.00 N ATOM 1238 CA ARG A 80 -12.174 -0.231 -3.263 1.00 0.00 C ATOM 1239 C ARG A 80 -13.646 -0.635 -3.116 1.00 0.00 C ATOM 1240 O ARG A 80 -14.344 -0.119 -2.259 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.002 1.136 -3.998 1.00 0.00 C ATOM 1242 CG ARG A 80 -12.027 1.124 -5.543 1.00 0.00 C ATOM 1243 CD ARG A 80 -13.305 0.557 -6.145 1.00 0.00 C ATOM 1244 NE ARG A 80 -14.492 1.306 -5.715 1.00 0.00 N ATOM 1245 CZ ARG A 80 -15.748 1.050 -6.090 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -16.009 0.074 -6.964 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -16.747 1.760 -5.575 1.00 0.00 N ATOM 0 H ARG A 80 -10.930 -1.087 -4.721 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.807 -0.076 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.791 1.804 -3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.055 1.572 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -11.890 2.143 -5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.180 0.541 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.235 0.580 -7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.410 -0.488 -5.855 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.345 2.088 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.246 -0.482 -7.350 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.971 -0.115 -7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.553 2.496 -4.897 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.708 1.568 -5.858 1.00 0.00 H new ATOM 1261 N ARG A 81 -14.094 -1.583 -3.927 1.00 0.00 N ATOM 1262 CA ARG A 81 -15.475 -2.030 -3.888 1.00 0.00 C ATOM 1263 C ARG A 81 -15.698 -2.843 -2.643 1.00 0.00 C ATOM 1264 O ARG A 81 -16.577 -2.537 -1.835 1.00 0.00 O ATOM 1265 CB ARG A 81 -15.790 -2.896 -5.110 1.00 0.00 C ATOM 1266 CG ARG A 81 -17.177 -3.534 -5.088 1.00 0.00 C ATOM 1267 CD ARG A 81 -17.304 -4.629 -6.140 1.00 0.00 C ATOM 1268 NE ARG A 81 -16.238 -5.644 -5.987 1.00 0.00 N ATOM 1269 CZ ARG A 81 -16.263 -6.710 -5.163 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -17.335 -6.985 -4.423 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -15.200 -7.488 -5.082 1.00 0.00 N ATOM 0 H ARG A 81 -13.517 -2.058 -4.622 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.128 -1.157 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.699 -2.284 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.041 -3.685 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.371 -3.952 -4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.933 -2.769 -5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.280 -5.107 -6.055 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.250 -4.189 -7.136 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.403 -5.525 -6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.157 -6.384 -4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.334 -7.797 -3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.372 -7.279 -5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.207 -8.298 -4.462 1.00 0.00 H new ATOM 1285 N ALA A 82 -14.851 -3.839 -2.482 1.00 0.00 N ATOM 1286 CA ALA A 82 -14.960 -4.809 -1.417 1.00 0.00 C ATOM 1287 C ALA A 82 -14.781 -4.187 -0.041 1.00 0.00 C ATOM 1288 O ALA A 82 -15.455 -4.577 0.907 1.00 0.00 O ATOM 1289 CB ALA A 82 -13.966 -5.926 -1.640 1.00 0.00 C ATOM 0 H ALA A 82 -14.055 -3.998 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.971 -5.215 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.052 -6.655 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.173 -6.412 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.956 -5.517 -1.653 1.00 0.00 H new ATOM 1295 N VAL A 83 -13.890 -3.213 0.068 1.00 0.00 N ATOM 1296 CA VAL A 83 -13.656 -2.573 1.353 1.00 0.00 C ATOM 1297 C VAL A 83 -14.797 -1.588 1.687 1.00 0.00 C ATOM 1298 O VAL A 83 -15.100 -1.341 2.855 1.00 0.00 O ATOM 1299 CB VAL A 83 -12.254 -1.868 1.425 1.00 0.00 C ATOM 1300 CG1 VAL A 83 -12.159 -0.669 0.495 1.00 0.00 C ATOM 1301 CG2 VAL A 83 -11.891 -1.483 2.857 1.00 0.00 C ATOM 0 H VAL A 83 -13.326 -2.854 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.647 -3.359 2.108 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.523 -2.599 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.171 -0.218 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.320 -0.993 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.918 0.064 0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.915 -0.998 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.641 -0.797 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.857 -2.379 3.477 1.00 0.00 H new ATOM 1311 N ALA A 84 -15.444 -1.052 0.658 1.00 0.00 N ATOM 1312 CA ALA A 84 -16.540 -0.117 0.861 1.00 0.00 C ATOM 1313 C ALA A 84 -17.808 -0.857 1.261 1.00 0.00 C ATOM 1314 O ALA A 84 -18.587 -0.379 2.095 1.00 0.00 O ATOM 1315 CB ALA A 84 -16.776 0.716 -0.386 1.00 0.00 C ATOM 0 H ALA A 84 -15.229 -1.249 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 84 -16.266 0.557 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -17.600 1.408 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.874 1.279 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -17.024 0.060 -1.220 1.00 0.00 H new ATOM 1321 N SER A 85 -18.002 -2.020 0.693 1.00 0.00 N ATOM 1322 CA SER A 85 -19.149 -2.816 0.997 1.00 0.00 C ATOM 1323 C SER A 85 -18.930 -3.603 2.278 1.00 0.00 C ATOM 1324 O SER A 85 -18.140 -4.560 2.295 1.00 0.00 O ATOM 1325 CB SER A 85 -19.453 -3.751 -0.170 1.00 0.00 C ATOM 1326 OG SER A 85 -18.289 -4.494 -0.541 1.00 0.00 O ATOM 0 H SER A 85 -17.368 -2.435 0.010 1.00 0.00 H new ATOM 0 HA SER A 85 -20.005 -2.159 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 85 -20.255 -4.436 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 85 -19.808 -3.172 -1.023 1.00 0.00 H new ATOM 0 HG SER A 85 -17.717 -3.942 -1.114 1.00 0.00 H new ATOM 1332 N HIS A 86 -19.604 -3.173 3.345 1.00 0.00 N ATOM 1333 CA HIS A 86 -19.564 -3.830 4.665 1.00 0.00 C ATOM 1334 C HIS A 86 -18.179 -3.665 5.302 1.00 0.00 C ATOM 1335 O HIS A 86 -17.329 -2.918 4.785 1.00 0.00 O ATOM 1336 CB HIS A 86 -19.940 -5.337 4.556 1.00 0.00 C ATOM 1337 CG HIS A 86 -21.295 -5.619 3.955 1.00 0.00 C ATOM 1338 ND1 HIS A 86 -22.419 -5.916 4.687 1.00 0.00 N ATOM 1339 CD2 HIS A 86 -21.679 -5.662 2.656 1.00 0.00 C ATOM 1340 CE1 HIS A 86 -23.428 -6.121 3.843 1.00 0.00 C ATOM 1341 NE2 HIS A 86 -23.029 -5.978 2.585 1.00 0.00 N ATOM 0 H HIS A 86 -20.203 -2.348 3.323 1.00 0.00 H new ATOM 0 HA HIS A 86 -20.303 -3.347 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -19.182 -5.842 3.957 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -19.903 -5.777 5.553 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -22.472 -5.970 5.704 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -21.035 -5.479 1.808 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -24.436 -6.370 4.142 1.00 0.00 H new ATOM 1349 N ASP A 87 -17.955 -4.302 6.423 1.00 0.00 N ATOM 1350 CA ASP A 87 -16.625 -4.268 7.034 1.00 0.00 C ATOM 1351 C ASP A 87 -16.190 -5.678 7.339 1.00 0.00 C ATOM 1352 O ASP A 87 -15.103 -6.116 6.949 1.00 0.00 O ATOM 1353 CB ASP A 87 -16.595 -3.401 8.290 1.00 0.00 C ATOM 1354 CG ASP A 87 -15.201 -3.284 8.856 1.00 0.00 C ATOM 1355 OD1 ASP A 87 -14.337 -2.647 8.204 1.00 0.00 O ATOM 1356 OD2 ASP A 87 -14.945 -3.782 9.972 1.00 0.00 O ATOM 0 H ASP A 87 -18.652 -4.844 6.933 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.929 -3.814 6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -16.977 -2.407 8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.258 -3.828 9.042 1.00 0.00 H new ATOM 1361 N GLU A 88 -17.034 -6.358 8.051 1.00 0.00 N ATOM 1362 CA GLU A 88 -16.927 -7.786 8.294 1.00 0.00 C ATOM 1363 C GLU A 88 -18.259 -8.327 7.863 1.00 0.00 C ATOM 1364 O GLU A 88 -18.370 -9.269 7.080 1.00 0.00 O ATOM 1365 CB GLU A 88 -16.712 -8.085 9.779 1.00 0.00 C ATOM 1366 CG GLU A 88 -15.437 -7.518 10.371 1.00 0.00 C ATOM 1367 CD GLU A 88 -15.387 -7.712 11.860 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -15.283 -8.879 12.324 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -15.485 -6.715 12.601 1.00 0.00 O ATOM 0 H GLU A 88 -17.846 -5.933 8.498 1.00 0.00 H new ATOM 0 HA GLU A 88 -16.083 -8.226 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -17.560 -7.692 10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -16.710 -9.166 9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.575 -8.001 9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.368 -6.455 10.139 1.00 0.00 H new ATOM 1376 N LEU A 89 -19.259 -7.648 8.354 1.00 0.00 N ATOM 1377 CA LEU A 89 -20.621 -7.821 8.010 1.00 0.00 C ATOM 1378 C LEU A 89 -21.086 -6.432 7.668 1.00 0.00 C ATOM 1379 O LEU A 89 -20.221 -5.508 7.704 1.00 0.00 O ATOM 1380 CB LEU A 89 -21.436 -8.362 9.202 1.00 0.00 C ATOM 1381 CG LEU A 89 -21.056 -9.750 9.736 1.00 0.00 C ATOM 1382 CD1 LEU A 89 -21.906 -10.096 10.948 1.00 0.00 C ATOM 1383 CD2 LEU A 89 -21.225 -10.810 8.652 1.00 0.00 C ATOM 1384 OXT LEU A 89 -22.270 -6.224 7.355 1.00 0.00 O ATOM 0 H LEU A 89 -19.122 -6.914 9.049 1.00 0.00 H new ATOM 0 HA LEU A 89 -20.749 -8.537 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -21.350 -7.649 10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -22.486 -8.388 8.910 1.00 0.00 H new ATOM 0 HG LEU A 89 -20.008 -9.729 10.034 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -21.627 -11.083 11.318 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -21.742 -9.355 11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -22.959 -10.098 10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -20.950 -11.786 9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -22.264 -10.832 8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -20.582 -10.570 7.805 1.00 0.00 H new TER 1396 LEU A 89