USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.13 (180deg=-0.798) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 6 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.46) USER MOD Single : A 7 MET CE :methyl 159:sc= 0 (180deg=-0.0215) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 29 GLN :FLIP amide:sc= -8.55! C(o=-11!,f=-8.6!) USER MOD Single : A 35 HIS : no HE2:sc= -0.807 K(o=-0.81,f=-2.9!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -170:sc= -0.35 USER MOD Single : A 46 SER OG : rot -170:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.79! X(o=-1.8!,f=-2.2) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= -1.04 (180deg=-1.12) USER MOD Single : A 62 SER OG : rot -170:sc=0.000344 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -131:sc= -4.18! USER MOD Single : A 73 MET CE :methyl -160:sc= -0.113 (180deg=-1.35!) USER MOD Single : A 74 SER OG : rot 6:sc= 0.315! USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0927 K(o=-0.093,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.327 -18.265 -10.692 1.00 0.00 N ATOM 2 CA MET A 1 -19.656 -19.541 -10.312 1.00 0.00 C ATOM 3 C MET A 1 -18.144 -19.338 -10.308 1.00 0.00 C ATOM 4 O MET A 1 -17.457 -19.747 -9.374 1.00 0.00 O ATOM 5 CB MET A 1 -20.034 -20.632 -11.317 1.00 0.00 C ATOM 6 CG MET A 1 -21.532 -20.925 -11.214 1.00 0.00 C ATOM 7 SD MET A 1 -21.872 -21.794 -9.663 1.00 0.00 S ATOM 8 CE MET A 1 -23.666 -21.919 -9.864 1.00 0.00 C ATOM 0 H1 MET A 1 -21.286 -18.244 -10.290 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.779 -17.462 -10.324 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.385 -18.198 -11.728 1.00 0.00 H new ATOM 0 HA MET A 1 -19.978 -19.844 -9.316 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.784 -20.312 -12.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.461 -21.538 -11.119 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.099 -19.995 -11.254 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.854 -21.531 -12.061 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.094 -22.432 -9.003 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.094 -20.919 -9.940 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.892 -22.481 -10.770 1.00 0.00 H new ATOM 18 N VAL A 2 -17.634 -18.703 -11.359 1.00 0.00 N ATOM 19 CA VAL A 2 -16.201 -18.451 -11.465 1.00 0.00 C ATOM 20 C VAL A 2 -15.788 -17.307 -10.544 1.00 0.00 C ATOM 21 O VAL A 2 -16.585 -16.418 -10.246 1.00 0.00 O ATOM 22 CB VAL A 2 -15.838 -18.107 -12.910 1.00 0.00 C ATOM 23 CG1 VAL A 2 -16.550 -16.817 -13.322 1.00 0.00 C ATOM 24 CG2 VAL A 2 -14.324 -17.910 -13.022 1.00 0.00 C ATOM 0 H VAL A 2 -18.186 -18.356 -12.143 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.668 -19.353 -11.163 1.00 0.00 H new ATOM 0 HB VAL A 2 -16.150 -18.920 -13.566 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -16.291 -16.572 -14.352 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -17.628 -16.955 -13.242 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -16.238 -16.004 -12.666 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.064 -17.665 -14.052 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.013 -17.097 -12.366 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.815 -18.828 -12.728 1.00 0.00 H new ATOM 34 N THR A 3 -14.536 -17.338 -10.095 1.00 0.00 N ATOM 35 CA THR A 3 -14.026 -16.299 -9.205 1.00 0.00 C ATOM 36 C THR A 3 -14.038 -14.938 -9.909 1.00 0.00 C ATOM 37 O THR A 3 -13.895 -14.873 -11.130 1.00 0.00 O ATOM 38 CB THR A 3 -12.594 -16.645 -8.781 1.00 0.00 C ATOM 39 OG1 THR A 3 -11.832 -16.981 -9.932 1.00 0.00 O ATOM 40 CG2 THR A 3 -12.614 -17.833 -7.818 1.00 0.00 C ATOM 0 H THR A 3 -13.861 -18.065 -10.330 1.00 0.00 H new ATOM 0 HA THR A 3 -14.667 -16.244 -8.325 1.00 0.00 H new ATOM 0 HB THR A 3 -12.146 -15.786 -8.282 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.915 -17.201 -9.665 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.594 -18.076 -7.519 1.00 0.00 H new ATOM 0 HG22 THR A 3 -13.200 -17.576 -6.935 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.062 -18.695 -8.313 1.00 0.00 H new ATOM 48 N PRO A 4 -14.196 -13.855 -9.179 1.00 0.00 N ATOM 49 CA PRO A 4 -14.213 -12.486 -9.780 1.00 0.00 C ATOM 50 C PRO A 4 -12.818 -12.042 -10.219 1.00 0.00 C ATOM 51 O PRO A 4 -12.197 -11.192 -9.582 1.00 0.00 O ATOM 52 CB PRO A 4 -14.748 -11.605 -8.643 1.00 0.00 C ATOM 53 CG PRO A 4 -14.327 -12.306 -7.393 1.00 0.00 C ATOM 54 CD PRO A 4 -14.378 -13.803 -7.713 1.00 0.00 C ATOM 0 HA PRO A 4 -14.821 -12.432 -10.683 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -14.332 -10.599 -8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -15.832 -11.505 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -13.323 -12.004 -7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -14.992 -12.061 -6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.592 -14.351 -7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -15.328 -14.245 -7.412 1.00 0.00 H new ATOM 62 N VAL A 5 -12.333 -12.625 -11.311 1.00 0.00 N ATOM 63 CA VAL A 5 -11.012 -12.283 -11.825 1.00 0.00 C ATOM 64 C VAL A 5 -10.951 -10.808 -12.209 1.00 0.00 C ATOM 65 O VAL A 5 -11.856 -10.036 -11.893 1.00 0.00 O ATOM 66 CB VAL A 5 -10.684 -13.144 -13.044 1.00 0.00 C ATOM 67 CG1 VAL A 5 -10.467 -14.594 -12.604 1.00 0.00 C ATOM 68 CG2 VAL A 5 -11.844 -13.080 -14.039 1.00 0.00 C ATOM 0 H VAL A 5 -12.831 -13.331 -11.853 1.00 0.00 H new ATOM 0 HA VAL A 5 -10.279 -12.473 -11.041 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.777 -12.771 -13.519 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.233 -15.207 -13.474 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.640 -14.639 -11.895 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.373 -14.969 -12.129 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.611 -13.694 -14.909 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.752 -13.453 -13.564 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.997 -12.048 -14.354 1.00 0.00 H new ATOM 78 N ASN A 6 -9.877 -10.423 -12.890 1.00 0.00 N ATOM 79 CA ASN A 6 -9.706 -9.036 -13.311 1.00 0.00 C ATOM 80 C ASN A 6 -9.804 -8.098 -12.112 1.00 0.00 C ATOM 81 O ASN A 6 -9.817 -6.877 -12.266 1.00 0.00 O ATOM 82 CB ASN A 6 -10.776 -8.666 -14.341 1.00 0.00 C ATOM 83 CG ASN A 6 -10.423 -7.340 -15.008 1.00 0.00 C ATOM 84 OD1 ASN A 6 -9.330 -7.191 -15.554 1.00 0.00 O ATOM 85 ND2 ASN A 6 -11.289 -6.363 -14.996 1.00 0.00 N ATOM 0 H ASN A 6 -9.116 -11.046 -13.161 1.00 0.00 H new ATOM 0 HA ASN A 6 -8.719 -8.931 -13.761 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -10.855 -9.451 -15.093 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.749 -8.590 -13.855 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.061 -5.474 -15.440 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.194 -6.489 -14.543 1.00 0.00 H new ATOM 92 N MET A 7 -9.870 -8.678 -10.919 1.00 0.00 N ATOM 93 CA MET A 7 -9.965 -7.888 -9.697 1.00 0.00 C ATOM 94 C MET A 7 -9.842 -8.787 -8.472 1.00 0.00 C ATOM 95 O MET A 7 -10.754 -8.860 -7.648 1.00 0.00 O ATOM 96 CB MET A 7 -11.304 -7.145 -9.657 1.00 0.00 C ATOM 97 CG MET A 7 -11.255 -6.053 -8.586 1.00 0.00 C ATOM 98 SD MET A 7 -12.937 -5.492 -8.218 1.00 0.00 S ATOM 99 CE MET A 7 -12.963 -4.070 -9.338 1.00 0.00 C ATOM 0 H MET A 7 -9.860 -9.687 -10.772 1.00 0.00 H new ATOM 0 HA MET A 7 -9.150 -7.164 -9.688 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.515 -6.704 -10.631 1.00 0.00 H new ATOM 0 HB3 MET A 7 -12.112 -7.844 -9.441 1.00 0.00 H new ATOM 0 HG2 MET A 7 -10.782 -6.437 -7.682 1.00 0.00 H new ATOM 0 HG3 MET A 7 -10.649 -5.216 -8.932 1.00 0.00 H new ATOM 0 HE1 MET A 7 -13.996 -3.798 -9.557 1.00 0.00 H new ATOM 0 HE2 MET A 7 -12.458 -3.227 -8.867 1.00 0.00 H new ATOM 0 HE3 MET A 7 -12.451 -4.328 -10.265 1.00 0.00 H new ATOM 109 N SER A 8 -8.707 -9.471 -8.359 1.00 0.00 N ATOM 110 CA SER A 8 -8.470 -10.367 -7.232 1.00 0.00 C ATOM 111 C SER A 8 -7.980 -9.583 -6.019 1.00 0.00 C ATOM 112 O SER A 8 -7.306 -8.562 -6.161 1.00 0.00 O ATOM 113 CB SER A 8 -7.428 -11.419 -7.614 1.00 0.00 C ATOM 114 OG SER A 8 -7.857 -12.099 -8.786 1.00 0.00 O ATOM 0 H SER A 8 -7.941 -9.422 -9.030 1.00 0.00 H new ATOM 0 HA SER A 8 -9.409 -10.859 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.462 -10.945 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.293 -12.128 -6.797 1.00 0.00 H new ATOM 0 HG SER A 8 -7.191 -12.773 -9.035 1.00 0.00 H new ATOM 120 N ARG A 9 -8.324 -10.062 -4.827 1.00 0.00 N ATOM 121 CA ARG A 9 -7.913 -9.393 -3.604 1.00 0.00 C ATOM 122 C ARG A 9 -6.397 -9.452 -3.452 1.00 0.00 C ATOM 123 O ARG A 9 -5.768 -8.470 -3.076 1.00 0.00 O ATOM 124 CB ARG A 9 -8.590 -10.050 -2.393 1.00 0.00 C ATOM 125 CG ARG A 9 -8.616 -11.571 -2.577 1.00 0.00 C ATOM 126 CD ARG A 9 -8.896 -12.244 -1.230 1.00 0.00 C ATOM 127 NE ARG A 9 -10.019 -11.594 -0.565 1.00 0.00 N ATOM 128 CZ ARG A 9 -10.189 -11.690 0.751 1.00 0.00 C ATOM 129 NH1 ARG A 9 -9.333 -12.362 1.471 1.00 0.00 N ATOM 130 NH2 ARG A 9 -11.207 -11.108 1.322 1.00 0.00 N ATOM 0 H ARG A 9 -8.882 -10.904 -4.686 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.218 -8.348 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.052 -9.794 -1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.606 -9.670 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.383 -11.847 -3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.662 -11.916 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.116 -13.301 -1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.010 -12.191 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.686 -11.056 -1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.534 -12.813 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.462 -12.436 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.873 -10.579 0.760 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.337 -11.182 2.331 1.00 0.00 H new ATOM 144 N GLU A 10 -5.807 -10.602 -3.758 1.00 0.00 N ATOM 145 CA GLU A 10 -4.359 -10.758 -3.652 1.00 0.00 C ATOM 146 C GLU A 10 -3.640 -9.517 -4.180 1.00 0.00 C ATOM 147 O GLU A 10 -2.532 -9.197 -3.750 1.00 0.00 O ATOM 148 CB GLU A 10 -3.916 -11.988 -4.440 1.00 0.00 C ATOM 149 CG GLU A 10 -2.391 -12.106 -4.396 1.00 0.00 C ATOM 150 CD GLU A 10 -1.959 -13.471 -4.923 1.00 0.00 C ATOM 151 OE1 GLU A 10 -2.627 -14.444 -4.611 1.00 0.00 O ATOM 152 OE2 GLU A 10 -0.966 -13.524 -5.631 1.00 0.00 O ATOM 0 H GLU A 10 -6.303 -11.434 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.099 -10.885 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.372 -12.885 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.255 -11.912 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.939 -11.316 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.037 -11.973 -3.374 1.00 0.00 H new ATOM 159 N THR A 11 -4.288 -8.816 -5.107 1.00 0.00 N ATOM 160 CA THR A 11 -3.717 -7.605 -5.684 1.00 0.00 C ATOM 161 C THR A 11 -4.007 -6.420 -4.771 1.00 0.00 C ATOM 162 O THR A 11 -3.181 -5.523 -4.605 1.00 0.00 O ATOM 163 CB THR A 11 -4.328 -7.356 -7.064 1.00 0.00 C ATOM 164 OG1 THR A 11 -4.067 -8.472 -7.902 1.00 0.00 O ATOM 165 CG2 THR A 11 -3.718 -6.100 -7.685 1.00 0.00 C ATOM 0 H THR A 11 -5.207 -9.066 -5.473 1.00 0.00 H new ATOM 0 HA THR A 11 -2.639 -7.726 -5.786 1.00 0.00 H new ATOM 0 HB THR A 11 -5.404 -7.217 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.459 -8.316 -8.786 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.158 -5.929 -8.667 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.919 -5.242 -7.043 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.641 -6.231 -7.788 1.00 0.00 H new ATOM 173 N ALA A 12 -5.195 -6.439 -4.183 1.00 0.00 N ATOM 174 CA ALA A 12 -5.632 -5.389 -3.275 1.00 0.00 C ATOM 175 C ALA A 12 -5.082 -5.638 -1.877 1.00 0.00 C ATOM 176 O ALA A 12 -5.447 -4.964 -0.915 1.00 0.00 O ATOM 177 CB ALA A 12 -7.150 -5.405 -3.221 1.00 0.00 C ATOM 0 H ALA A 12 -5.881 -7.181 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.268 -4.425 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.498 -4.624 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.551 -5.227 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.491 -6.376 -2.861 1.00 0.00 H new ATOM 183 N LEU A 13 -4.198 -6.621 -1.793 1.00 0.00 N ATOM 184 CA LEU A 13 -3.563 -7.008 -0.532 1.00 0.00 C ATOM 185 C LEU A 13 -2.082 -6.611 -0.542 1.00 0.00 C ATOM 186 O LEU A 13 -1.523 -6.257 0.492 1.00 0.00 O ATOM 187 CB LEU A 13 -3.678 -8.540 -0.368 1.00 0.00 C ATOM 188 CG LEU A 13 -4.929 -8.950 0.444 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.150 -8.077 0.093 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.247 -10.421 0.133 1.00 0.00 C ATOM 0 H LEU A 13 -3.897 -7.176 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.060 -6.500 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.717 -9.007 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.785 -8.918 0.129 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.718 -8.810 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.008 -8.397 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.926 -7.033 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.380 -8.183 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.127 -10.730 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.441 -10.534 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.398 -11.044 0.415 1.00 0.00 H new ATOM 202 N ARG A 14 -1.450 -6.707 -1.711 1.00 0.00 N ATOM 203 CA ARG A 14 -0.025 -6.392 -1.833 1.00 0.00 C ATOM 204 C ARG A 14 0.231 -4.893 -1.973 1.00 0.00 C ATOM 205 O ARG A 14 1.293 -4.407 -1.582 1.00 0.00 O ATOM 206 CB ARG A 14 0.562 -7.116 -3.046 1.00 0.00 C ATOM 207 CG ARG A 14 -0.166 -6.665 -4.313 1.00 0.00 C ATOM 208 CD ARG A 14 0.295 -7.521 -5.495 1.00 0.00 C ATOM 209 NE ARG A 14 -0.244 -6.994 -6.745 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.354 -7.764 -7.825 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.027 -9.011 -7.775 1.00 0.00 N ATOM 212 NH2 ARG A 14 -0.840 -7.273 -8.932 1.00 0.00 N ATOM 0 H ARG A 14 -1.896 -6.998 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 14 0.458 -6.728 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.627 -6.901 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.463 -8.194 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.244 -6.759 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.040 -5.613 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.384 -7.536 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.033 -8.551 -5.356 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.541 -6.019 -6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.408 -9.394 -6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.056 -9.603 -8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.136 -6.298 -8.971 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.924 -7.864 -9.759 1.00 0.00 H new ATOM 226 N ILE A 15 -0.721 -4.161 -2.540 1.00 0.00 N ATOM 227 CA ILE A 15 -0.544 -2.728 -2.722 1.00 0.00 C ATOM 228 C ILE A 15 -0.442 -2.009 -1.381 1.00 0.00 C ATOM 229 O ILE A 15 0.043 -0.878 -1.313 1.00 0.00 O ATOM 230 CB ILE A 15 -1.713 -2.168 -3.529 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.730 -2.827 -4.916 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.553 -0.653 -3.679 1.00 0.00 C ATOM 233 CD1 ILE A 15 -3.111 -2.662 -5.544 1.00 0.00 C ATOM 0 H ILE A 15 -1.610 -4.530 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 15 0.388 -2.562 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.650 -2.379 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.972 -2.373 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.482 -3.885 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.388 -0.254 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.538 -0.189 -2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.618 -0.435 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.121 -3.130 -6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.859 -3.137 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.341 -1.601 -5.644 1.00 0.00 H new ATOM 245 N ALA A 16 -0.908 -2.659 -0.313 1.00 0.00 N ATOM 246 CA ALA A 16 -0.865 -2.058 1.016 1.00 0.00 C ATOM 247 C ALA A 16 0.437 -2.385 1.729 1.00 0.00 C ATOM 248 O ALA A 16 0.816 -1.701 2.676 1.00 0.00 O ATOM 249 CB ALA A 16 -2.062 -2.524 1.844 1.00 0.00 C ATOM 0 H ALA A 16 -1.316 -3.593 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.916 -0.975 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.019 -2.069 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.986 -2.227 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.036 -3.609 1.942 1.00 0.00 H new ATOM 255 N LEU A 17 1.141 -3.403 1.261 1.00 0.00 N ATOM 256 CA LEU A 17 2.419 -3.744 1.870 1.00 0.00 C ATOM 257 C LEU A 17 3.419 -2.660 1.495 1.00 0.00 C ATOM 258 O LEU A 17 4.338 -2.348 2.252 1.00 0.00 O ATOM 259 CB LEU A 17 2.907 -5.123 1.380 1.00 0.00 C ATOM 260 CG LEU A 17 2.418 -6.238 2.326 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.157 -6.169 3.683 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.901 -6.096 2.547 1.00 0.00 C ATOM 0 H LEU A 17 0.860 -3.996 0.480 1.00 0.00 H new ATOM 0 HA LEU A 17 2.313 -3.802 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.539 -5.308 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.996 -5.133 1.329 1.00 0.00 H new ATOM 0 HG LEU A 17 2.632 -7.204 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.796 -6.965 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.228 -6.290 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.968 -5.203 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.555 -6.884 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.687 -5.124 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.385 -6.179 1.591 1.00 0.00 H new ATOM 274 N ALA A 18 3.211 -2.086 0.317 1.00 0.00 N ATOM 275 CA ALA A 18 4.072 -1.024 -0.174 1.00 0.00 C ATOM 276 C ALA A 18 4.131 0.112 0.837 1.00 0.00 C ATOM 277 O ALA A 18 5.202 0.640 1.121 1.00 0.00 O ATOM 278 CB ALA A 18 3.538 -0.512 -1.510 1.00 0.00 C ATOM 0 H ALA A 18 2.452 -2.340 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 18 5.079 -1.415 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.184 0.285 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.521 -1.328 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.528 -0.126 -1.374 1.00 0.00 H new ATOM 284 N ALA A 19 2.974 0.478 1.388 1.00 0.00 N ATOM 285 CA ALA A 19 2.929 1.551 2.382 1.00 0.00 C ATOM 286 C ALA A 19 4.117 1.420 3.337 1.00 0.00 C ATOM 287 O ALA A 19 4.709 2.415 3.751 1.00 0.00 O ATOM 288 CB ALA A 19 1.614 1.503 3.167 1.00 0.00 C ATOM 0 H ALA A 19 2.071 0.057 1.169 1.00 0.00 H new ATOM 0 HA ALA A 19 2.986 2.510 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.599 2.308 3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.776 1.622 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.530 0.544 3.678 1.00 0.00 H new ATOM 294 N ARG A 20 4.463 0.176 3.661 1.00 0.00 N ATOM 295 CA ARG A 20 5.589 -0.080 4.548 1.00 0.00 C ATOM 296 C ARG A 20 6.901 0.300 3.862 1.00 0.00 C ATOM 297 O ARG A 20 7.777 0.906 4.477 1.00 0.00 O ATOM 298 CB ARG A 20 5.619 -1.555 4.948 1.00 0.00 C ATOM 299 CG ARG A 20 4.262 -1.950 5.534 1.00 0.00 C ATOM 300 CD ARG A 20 4.389 -3.292 6.257 1.00 0.00 C ATOM 301 NE ARG A 20 5.322 -3.179 7.373 1.00 0.00 N ATOM 302 CZ ARG A 20 5.751 -4.257 8.022 1.00 0.00 C ATOM 303 NH1 ARG A 20 5.352 -5.442 7.650 1.00 0.00 N ATOM 304 NH2 ARG A 20 6.574 -4.131 9.027 1.00 0.00 N ATOM 0 H ARG A 20 3.984 -0.660 3.326 1.00 0.00 H new ATOM 0 HA ARG A 20 5.471 0.529 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.847 -2.174 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.408 -1.729 5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.916 -1.183 6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.518 -2.021 4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.412 -3.610 6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.734 -4.057 5.561 1.00 0.00 H new ATOM 0 HE ARG A 20 5.651 -2.257 7.660 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.712 -5.541 6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.680 -6.270 8.147 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.889 -3.205 9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.902 -4.959 9.524 1.00 0.00 H new ATOM 318 N ALA A 21 7.030 -0.053 2.581 1.00 0.00 N ATOM 319 CA ALA A 21 8.239 0.267 1.827 1.00 0.00 C ATOM 320 C ALA A 21 8.496 1.759 1.856 1.00 0.00 C ATOM 321 O ALA A 21 9.517 2.236 1.359 1.00 0.00 O ATOM 322 CB ALA A 21 8.075 -0.157 0.371 1.00 0.00 C ATOM 0 H ALA A 21 6.318 -0.556 2.050 1.00 0.00 H new ATOM 0 HA ALA A 21 9.073 -0.265 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.982 0.086 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.897 -1.231 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.229 0.371 -0.069 1.00 0.00 H new ATOM 328 N LEU A 22 7.554 2.494 2.430 1.00 0.00 N ATOM 329 CA LEU A 22 7.652 3.943 2.520 1.00 0.00 C ATOM 330 C LEU A 22 7.656 4.364 4.000 1.00 0.00 C ATOM 331 O LEU A 22 6.720 4.033 4.727 1.00 0.00 O ATOM 332 CB LEU A 22 6.440 4.569 1.822 1.00 0.00 C ATOM 333 CG LEU A 22 6.135 3.849 0.494 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.806 4.369 -0.057 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.263 4.093 -0.532 1.00 0.00 C ATOM 0 H LEU A 22 6.706 2.106 2.844 1.00 0.00 H new ATOM 0 HA LEU A 22 8.572 4.280 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.571 4.515 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.631 5.625 1.632 1.00 0.00 H new ATOM 0 HG LEU A 22 6.069 2.776 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.580 3.866 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.011 4.169 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.878 5.443 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.027 3.576 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.355 5.162 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.205 3.714 -0.135 1.00 0.00 H new ATOM 347 N PRO A 23 8.665 5.065 4.475 1.00 0.00 N ATOM 348 CA PRO A 23 8.721 5.490 5.905 1.00 0.00 C ATOM 349 C PRO A 23 7.846 6.713 6.194 1.00 0.00 C ATOM 350 O PRO A 23 8.349 7.832 6.296 1.00 0.00 O ATOM 351 CB PRO A 23 10.205 5.812 6.110 1.00 0.00 C ATOM 352 CG PRO A 23 10.667 6.307 4.777 1.00 0.00 C ATOM 353 CD PRO A 23 9.854 5.532 3.730 1.00 0.00 C ATOM 0 HA PRO A 23 8.340 4.722 6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.344 6.567 6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.764 4.929 6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.503 7.380 4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.735 6.135 4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.574 6.168 2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.423 4.697 3.321 1.00 0.00 H new ATOM 361 N GLY A 24 6.536 6.492 6.342 1.00 0.00 N ATOM 362 CA GLY A 24 5.603 7.586 6.642 1.00 0.00 C ATOM 363 C GLY A 24 4.397 7.583 5.703 1.00 0.00 C ATOM 364 O GLY A 24 3.252 7.620 6.154 1.00 0.00 O ATOM 0 H GLY A 24 6.099 5.574 6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.260 7.498 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.124 8.540 6.560 1.00 0.00 H new ATOM 368 N THR A 25 4.657 7.556 4.401 1.00 0.00 N ATOM 369 CA THR A 25 3.581 7.571 3.412 1.00 0.00 C ATOM 370 C THR A 25 2.591 6.432 3.647 1.00 0.00 C ATOM 371 O THR A 25 2.982 5.304 3.941 1.00 0.00 O ATOM 372 CB THR A 25 4.162 7.449 2.005 1.00 0.00 C ATOM 373 OG1 THR A 25 5.235 8.368 1.853 1.00 0.00 O ATOM 374 CG2 THR A 25 3.078 7.750 0.976 1.00 0.00 C ATOM 0 H THR A 25 5.597 7.524 4.005 1.00 0.00 H new ATOM 0 HA THR A 25 3.050 8.518 3.515 1.00 0.00 H new ATOM 0 HB THR A 25 4.531 6.435 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.609 8.288 0.951 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.495 7.662 -0.027 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.259 7.040 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.704 8.763 1.127 1.00 0.00 H new ATOM 382 N THR A 26 1.302 6.747 3.514 1.00 0.00 N ATOM 383 CA THR A 26 0.244 5.766 3.711 1.00 0.00 C ATOM 384 C THR A 26 -0.084 5.050 2.395 1.00 0.00 C ATOM 385 O THR A 26 0.409 5.419 1.329 1.00 0.00 O ATOM 386 CB THR A 26 -1.008 6.492 4.261 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.684 7.854 4.497 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.461 5.860 5.577 1.00 0.00 C ATOM 0 H THR A 26 0.968 7.679 3.269 1.00 0.00 H new ATOM 0 HA THR A 26 0.575 5.011 4.424 1.00 0.00 H new ATOM 0 HB THR A 26 -1.813 6.408 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.472 8.322 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.342 6.384 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.706 4.811 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.659 5.934 6.311 1.00 0.00 H new ATOM 396 N VAL A 27 -0.913 4.017 2.498 1.00 0.00 N ATOM 397 CA VAL A 27 -1.309 3.227 1.334 1.00 0.00 C ATOM 398 C VAL A 27 -2.021 4.086 0.293 1.00 0.00 C ATOM 399 O VAL A 27 -1.589 4.167 -0.855 1.00 0.00 O ATOM 400 CB VAL A 27 -2.251 2.090 1.762 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.486 1.140 0.581 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.647 1.300 2.932 1.00 0.00 C ATOM 0 H VAL A 27 -1.326 3.705 3.377 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.400 2.818 0.893 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.197 2.527 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.154 0.336 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.937 1.691 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.534 0.718 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.328 0.500 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.692 0.872 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.491 1.967 3.780 1.00 0.00 H new ATOM 412 N GLY A 28 -3.125 4.700 0.696 1.00 0.00 N ATOM 413 CA GLY A 28 -3.907 5.524 -0.218 1.00 0.00 C ATOM 414 C GLY A 28 -3.212 6.841 -0.546 1.00 0.00 C ATOM 415 O GLY A 28 -3.797 7.703 -1.201 1.00 0.00 O ATOM 0 H GLY A 28 -3.498 4.644 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.086 4.971 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.881 5.730 0.225 1.00 0.00 H new ATOM 419 N GLN A 29 -1.968 7.004 -0.096 1.00 0.00 N ATOM 420 CA GLN A 29 -1.231 8.238 -0.368 1.00 0.00 C ATOM 421 C GLN A 29 -0.322 8.052 -1.578 1.00 0.00 C ATOM 422 O GLN A 29 0.090 9.025 -2.208 1.00 0.00 O ATOM 423 CB GLN A 29 -0.398 8.633 0.864 1.00 0.00 C ATOM 424 CG GLN A 29 -1.266 9.430 1.846 1.00 0.00 C ATOM 425 CD GLN A 29 -1.462 10.852 1.331 1.00 0.00 C ATOM 426 OE1 GLN A 29 -1.007 11.180 0.153 1.00 0.00 O flip ATOM 427 NE2 GLN A 29 -2.050 11.686 2.020 1.00 0.00 N flip ATOM 0 H GLN A 29 -1.456 6.310 0.449 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.943 9.034 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.008 7.740 1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.461 9.230 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.233 8.942 1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.793 9.452 2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.405 11.428 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.182 12.635 1.670 1.00 0.00 H new ATOM 436 N LEU A 30 -0.009 6.799 -1.899 1.00 0.00 N ATOM 437 CA LEU A 30 0.857 6.503 -3.038 1.00 0.00 C ATOM 438 C LEU A 30 0.028 6.308 -4.305 1.00 0.00 C ATOM 439 O LEU A 30 0.545 6.424 -5.417 1.00 0.00 O ATOM 440 CB LEU A 30 1.691 5.244 -2.745 1.00 0.00 C ATOM 441 CG LEU A 30 0.820 3.960 -2.863 1.00 0.00 C ATOM 442 CD1 LEU A 30 1.046 3.281 -4.220 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.194 2.969 -1.752 1.00 0.00 C ATOM 0 H LEU A 30 -0.339 5.978 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 30 1.530 7.346 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.527 5.186 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.116 5.309 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.227 4.250 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.429 2.385 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.773 3.968 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.096 3.007 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.580 2.073 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.246 2.699 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.022 3.431 -0.780 1.00 0.00 H new ATOM 455 N LEU A 31 -1.259 6.004 -4.135 1.00 0.00 N ATOM 456 CA LEU A 31 -2.152 5.786 -5.274 1.00 0.00 C ATOM 457 C LEU A 31 -2.845 7.094 -5.675 1.00 0.00 C ATOM 458 O LEU A 31 -3.040 7.362 -6.859 1.00 0.00 O ATOM 459 CB LEU A 31 -3.205 4.722 -4.893 1.00 0.00 C ATOM 460 CG LEU A 31 -3.593 3.874 -6.113 1.00 0.00 C ATOM 461 CD1 LEU A 31 -4.713 2.906 -5.722 1.00 0.00 C ATOM 462 CD2 LEU A 31 -4.076 4.782 -7.251 1.00 0.00 C ATOM 0 H LEU A 31 -1.705 5.903 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.568 5.437 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.809 4.078 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.091 5.210 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.722 3.312 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.991 2.303 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.367 2.254 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.580 3.472 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.349 4.172 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.945 5.351 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.278 5.469 -7.532 1.00 0.00 H new ATOM 474 N GLU A 32 -3.232 7.889 -4.674 1.00 0.00 N ATOM 475 CA GLU A 32 -3.924 9.160 -4.916 1.00 0.00 C ATOM 476 C GLU A 32 -3.419 9.855 -6.179 1.00 0.00 C ATOM 477 O GLU A 32 -4.139 10.644 -6.791 1.00 0.00 O ATOM 478 CB GLU A 32 -3.730 10.096 -3.723 1.00 0.00 C ATOM 479 CG GLU A 32 -2.254 10.486 -3.615 1.00 0.00 C ATOM 480 CD GLU A 32 -1.999 11.208 -2.297 1.00 0.00 C ATOM 481 OE1 GLU A 32 -2.797 12.065 -1.950 1.00 0.00 O ATOM 482 OE2 GLU A 32 -1.007 10.897 -1.655 1.00 0.00 O ATOM 0 H GLU A 32 -3.078 7.676 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.981 8.931 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.345 10.988 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.056 9.606 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.629 9.595 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.977 11.129 -4.451 1.00 0.00 H new ATOM 489 N ILE A 33 -2.181 9.569 -6.559 1.00 0.00 N ATOM 490 CA ILE A 33 -1.601 10.181 -7.748 1.00 0.00 C ATOM 491 C ILE A 33 -2.549 10.052 -8.938 1.00 0.00 C ATOM 492 O ILE A 33 -2.642 10.956 -9.767 1.00 0.00 O ATOM 493 CB ILE A 33 -0.264 9.517 -8.074 1.00 0.00 C ATOM 494 CG1 ILE A 33 0.689 9.699 -6.890 1.00 0.00 C ATOM 495 CG2 ILE A 33 0.338 10.166 -9.319 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.895 8.771 -7.052 1.00 0.00 C ATOM 0 H ILE A 33 -1.563 8.923 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.439 11.240 -7.548 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.418 8.454 -8.261 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.021 10.736 -6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.171 9.479 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.292 9.692 -9.551 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.344 10.041 -10.160 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.496 11.229 -9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.572 8.903 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.555 7.736 -7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.418 9.012 -7.977 1.00 0.00 H new ATOM 508 N LEU A 34 -3.253 8.925 -9.015 1.00 0.00 N ATOM 509 CA LEU A 34 -4.194 8.691 -10.111 1.00 0.00 C ATOM 510 C LEU A 34 -5.537 9.351 -9.806 1.00 0.00 C ATOM 511 O LEU A 34 -6.430 9.389 -10.652 1.00 0.00 O ATOM 512 CB LEU A 34 -4.392 7.180 -10.315 1.00 0.00 C ATOM 513 CG LEU A 34 -4.934 6.896 -11.735 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.778 6.809 -12.740 1.00 0.00 C ATOM 515 CD2 LEU A 34 -5.692 5.563 -11.738 1.00 0.00 C ATOM 0 H LEU A 34 -3.192 8.164 -8.338 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.786 9.127 -11.023 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.446 6.659 -10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.087 6.794 -9.569 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.602 7.709 -12.021 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.175 6.609 -13.735 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.233 7.753 -12.750 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.103 6.004 -12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.074 5.364 -12.739 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.017 4.760 -11.440 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.524 5.616 -11.036 1.00 0.00 H new ATOM 527 N HIS A 35 -5.666 9.866 -8.588 1.00 0.00 N ATOM 528 CA HIS A 35 -6.898 10.523 -8.164 1.00 0.00 C ATOM 529 C HIS A 35 -8.088 9.576 -8.266 1.00 0.00 C ATOM 530 O HIS A 35 -8.619 9.345 -9.352 1.00 0.00 O ATOM 531 CB HIS A 35 -7.157 11.766 -9.020 1.00 0.00 C ATOM 532 CG HIS A 35 -6.002 12.718 -8.885 1.00 0.00 C ATOM 533 ND1 HIS A 35 -5.259 12.817 -7.720 1.00 0.00 N ATOM 534 CD2 HIS A 35 -5.449 13.619 -9.761 1.00 0.00 C ATOM 535 CE1 HIS A 35 -4.307 13.747 -7.924 1.00 0.00 C ATOM 536 NE2 HIS A 35 -4.381 14.268 -9.153 1.00 0.00 N ATOM 0 H HIS A 35 -4.934 9.842 -7.878 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.778 10.818 -7.122 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.287 11.481 -10.064 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.081 12.251 -8.705 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.406 12.283 -6.864 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.792 13.796 -10.770 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.574 14.036 -7.186 1.00 0.00 H new ATOM 545 N GLN A 36 -8.507 9.039 -7.124 1.00 0.00 N ATOM 546 CA GLN A 36 -9.645 8.129 -7.086 1.00 0.00 C ATOM 547 C GLN A 36 -10.945 8.927 -7.071 1.00 0.00 C ATOM 548 O GLN A 36 -12.000 8.416 -6.694 1.00 0.00 O ATOM 549 CB GLN A 36 -9.566 7.244 -5.840 1.00 0.00 C ATOM 550 CG GLN A 36 -8.283 6.411 -5.887 1.00 0.00 C ATOM 551 CD GLN A 36 -8.028 5.761 -4.531 1.00 0.00 C ATOM 552 OE1 GLN A 36 -8.332 4.583 -4.339 1.00 0.00 O ATOM 553 NE2 GLN A 36 -7.483 6.460 -3.573 1.00 0.00 N ATOM 0 H GLN A 36 -8.077 9.218 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.623 7.496 -7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.579 7.861 -4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.436 6.589 -5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.367 5.644 -6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.439 7.045 -6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.232 7.435 -3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.308 6.031 -2.664 1.00 0.00 H new ATOM 562 N ARG A 37 -10.852 10.187 -7.485 1.00 0.00 N ATOM 563 CA ARG A 37 -12.013 11.069 -7.522 1.00 0.00 C ATOM 564 C ARG A 37 -13.185 10.392 -8.228 1.00 0.00 C ATOM 565 O ARG A 37 -14.136 9.947 -7.585 1.00 0.00 O ATOM 566 CB ARG A 37 -11.648 12.363 -8.254 1.00 0.00 C ATOM 567 CG ARG A 37 -12.758 13.401 -8.063 1.00 0.00 C ATOM 568 CD ARG A 37 -12.449 14.645 -8.903 1.00 0.00 C ATOM 569 NE ARG A 37 -11.403 15.442 -8.265 1.00 0.00 N ATOM 570 CZ ARG A 37 -11.694 16.354 -7.342 1.00 0.00 C ATOM 571 NH1 ARG A 37 -12.935 16.553 -6.989 1.00 0.00 N ATOM 572 NH2 ARG A 37 -10.740 17.051 -6.788 1.00 0.00 N ATOM 0 H ARG A 37 -9.984 10.620 -7.800 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.311 11.296 -6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.704 12.753 -7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.505 12.162 -9.316 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.719 12.980 -8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.839 13.672 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.130 14.347 -9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.351 15.245 -9.022 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.430 15.296 -8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.682 16.009 -7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.158 17.253 -6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.770 16.897 -7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.964 17.750 -6.080 1.00 0.00 H new ATOM 586 N ILE A 38 -13.109 10.321 -9.554 1.00 0.00 N ATOM 587 CA ILE A 38 -14.166 9.698 -10.350 1.00 0.00 C ATOM 588 C ILE A 38 -13.884 8.210 -10.537 1.00 0.00 C ATOM 589 O ILE A 38 -12.752 7.815 -10.816 1.00 0.00 O ATOM 590 CB ILE A 38 -14.244 10.383 -11.720 1.00 0.00 C ATOM 591 CG1 ILE A 38 -15.384 9.775 -12.546 1.00 0.00 C ATOM 592 CG2 ILE A 38 -12.920 10.191 -12.462 1.00 0.00 C ATOM 593 CD1 ILE A 38 -15.444 10.459 -13.913 1.00 0.00 C ATOM 0 H ILE A 38 -12.329 10.686 -10.100 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.116 9.812 -9.827 1.00 0.00 H new ATOM 0 HB ILE A 38 -14.434 11.447 -11.577 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.226 8.704 -12.670 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -16.332 9.899 -12.023 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.975 10.678 -13.436 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.110 10.632 -11.881 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.731 9.126 -12.599 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.254 10.027 -14.501 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -15.622 11.526 -13.778 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -14.499 10.312 -14.435 1.00 0.00 H new ATOM 605 N GLU A 39 -14.920 7.388 -10.391 1.00 0.00 N ATOM 606 CA GLU A 39 -14.762 5.947 -10.558 1.00 0.00 C ATOM 607 C GLU A 39 -14.001 5.651 -11.846 1.00 0.00 C ATOM 608 O GLU A 39 -14.337 6.174 -12.907 1.00 0.00 O ATOM 609 CB GLU A 39 -16.132 5.266 -10.606 1.00 0.00 C ATOM 610 CG GLU A 39 -16.935 5.643 -9.360 1.00 0.00 C ATOM 611 CD GLU A 39 -18.181 4.769 -9.259 1.00 0.00 C ATOM 612 OE1 GLU A 39 -18.201 3.725 -9.891 1.00 0.00 O ATOM 613 OE2 GLU A 39 -19.096 5.154 -8.550 1.00 0.00 O ATOM 0 H GLU A 39 -15.866 7.690 -10.160 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.200 5.558 -9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.670 5.571 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.010 4.184 -10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.320 5.518 -8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.220 6.694 -9.405 1.00 0.00 H new ATOM 620 N GLY A 40 -12.972 4.815 -11.745 1.00 0.00 N ATOM 621 CA GLY A 40 -12.168 4.462 -12.912 1.00 0.00 C ATOM 622 C GLY A 40 -11.524 3.091 -12.734 1.00 0.00 C ATOM 623 O GLY A 40 -11.890 2.335 -11.834 1.00 0.00 O ATOM 0 H GLY A 40 -12.676 4.372 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.795 4.461 -13.804 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.395 5.214 -13.067 1.00 0.00 H new ATOM 627 N PRO A 41 -10.579 2.760 -13.574 1.00 0.00 N ATOM 628 CA PRO A 41 -9.872 1.449 -13.514 1.00 0.00 C ATOM 629 C PRO A 41 -9.445 1.089 -12.092 1.00 0.00 C ATOM 630 O PRO A 41 -9.599 1.885 -11.165 1.00 0.00 O ATOM 631 CB PRO A 41 -8.660 1.655 -14.431 1.00 0.00 C ATOM 632 CG PRO A 41 -9.108 2.677 -15.426 1.00 0.00 C ATOM 633 CD PRO A 41 -10.077 3.600 -14.677 1.00 0.00 C ATOM 0 HA PRO A 41 -10.507 0.620 -13.826 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.793 2.002 -13.869 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.371 0.725 -14.921 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.260 3.238 -15.818 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.598 2.204 -16.277 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.573 4.491 -14.304 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.887 3.939 -15.323 1.00 0.00 H new ATOM 641 N LEU A 42 -8.916 -0.117 -11.932 1.00 0.00 N ATOM 642 CA LEU A 42 -8.474 -0.584 -10.624 1.00 0.00 C ATOM 643 C LEU A 42 -7.738 -1.912 -10.771 1.00 0.00 C ATOM 644 O LEU A 42 -8.077 -2.898 -10.118 1.00 0.00 O ATOM 645 CB LEU A 42 -9.688 -0.756 -9.700 1.00 0.00 C ATOM 646 CG LEU A 42 -9.237 -0.803 -8.228 1.00 0.00 C ATOM 647 CD1 LEU A 42 -8.902 0.610 -7.716 1.00 0.00 C ATOM 648 CD2 LEU A 42 -10.364 -1.398 -7.375 1.00 0.00 C ATOM 0 H LEU A 42 -8.783 -0.788 -12.689 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.796 0.150 -10.189 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.386 0.068 -9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.220 -1.673 -9.954 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.343 -1.422 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.586 0.554 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.098 1.034 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.785 1.244 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.050 -1.434 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.255 -0.777 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.589 -2.407 -7.721 1.00 0.00 H new ATOM 660 N THR A 43 -6.732 -1.928 -11.648 1.00 0.00 N ATOM 661 CA THR A 43 -5.946 -3.140 -11.902 1.00 0.00 C ATOM 662 C THR A 43 -4.474 -2.916 -11.584 1.00 0.00 C ATOM 663 O THR A 43 -4.047 -1.794 -11.308 1.00 0.00 O ATOM 664 CB THR A 43 -6.073 -3.534 -13.375 1.00 0.00 C ATOM 665 OG1 THR A 43 -5.751 -2.413 -14.187 1.00 0.00 O ATOM 666 CG2 THR A 43 -7.501 -3.986 -13.672 1.00 0.00 C ATOM 0 H THR A 43 -6.442 -1.117 -12.194 1.00 0.00 H new ATOM 0 HA THR A 43 -6.331 -3.932 -11.260 1.00 0.00 H new ATOM 0 HB THR A 43 -5.389 -4.355 -13.590 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.981 -2.608 -15.120 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.583 -4.265 -14.723 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.748 -4.845 -13.048 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.193 -3.171 -13.458 1.00 0.00 H new ATOM 674 N GLU A 44 -3.701 -3.996 -11.641 1.00 0.00 N ATOM 675 CA GLU A 44 -2.271 -3.922 -11.376 1.00 0.00 C ATOM 676 C GLU A 44 -1.538 -3.404 -12.607 1.00 0.00 C ATOM 677 O GLU A 44 -0.462 -2.818 -12.503 1.00 0.00 O ATOM 678 CB GLU A 44 -1.736 -5.309 -11.001 1.00 0.00 C ATOM 679 CG GLU A 44 -1.785 -6.242 -12.223 1.00 0.00 C ATOM 680 CD GLU A 44 -0.542 -6.052 -13.089 1.00 0.00 C ATOM 681 OE1 GLU A 44 0.546 -6.268 -12.583 1.00 0.00 O ATOM 682 OE2 GLU A 44 -0.697 -5.691 -14.243 1.00 0.00 O ATOM 0 H GLU A 44 -4.041 -4.930 -11.868 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.102 -3.236 -10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.712 -5.226 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.329 -5.729 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.852 -7.279 -11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.680 -6.036 -12.810 1.00 0.00 H new ATOM 689 N GLU A 45 -2.136 -3.622 -13.776 1.00 0.00 N ATOM 690 CA GLU A 45 -1.535 -3.170 -15.025 1.00 0.00 C ATOM 691 C GLU A 45 -1.771 -1.678 -15.206 1.00 0.00 C ATOM 692 O GLU A 45 -0.902 -0.953 -15.695 1.00 0.00 O ATOM 693 CB GLU A 45 -2.143 -3.932 -16.205 1.00 0.00 C ATOM 694 CG GLU A 45 -3.621 -3.564 -16.348 1.00 0.00 C ATOM 695 CD GLU A 45 -4.321 -4.569 -17.259 1.00 0.00 C ATOM 696 OE1 GLU A 45 -3.634 -5.220 -18.028 1.00 0.00 O ATOM 697 OE2 GLU A 45 -5.534 -4.672 -17.172 1.00 0.00 O ATOM 0 H GLU A 45 -3.028 -4.105 -13.883 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.463 -3.362 -14.988 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.607 -3.689 -17.123 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.039 -5.006 -16.050 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.099 -3.554 -15.368 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.716 -2.559 -16.759 1.00 0.00 H new ATOM 704 N SER A 46 -2.953 -1.226 -14.807 1.00 0.00 N ATOM 705 CA SER A 46 -3.301 0.185 -14.926 1.00 0.00 C ATOM 706 C SER A 46 -2.245 1.058 -14.254 1.00 0.00 C ATOM 707 O SER A 46 -1.890 2.121 -14.764 1.00 0.00 O ATOM 708 CB SER A 46 -4.663 0.442 -14.282 1.00 0.00 C ATOM 709 OG SER A 46 -4.830 1.838 -14.075 1.00 0.00 O ATOM 0 H SER A 46 -3.683 -1.811 -14.401 1.00 0.00 H new ATOM 0 HA SER A 46 -3.345 0.440 -15.985 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.458 0.060 -14.922 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.735 -0.089 -13.333 1.00 0.00 H new ATOM 0 HG SER A 46 -5.625 1.994 -13.523 1.00 0.00 H new ATOM 715 N LEU A 47 -1.747 0.606 -13.107 1.00 0.00 N ATOM 716 CA LEU A 47 -0.732 1.362 -12.374 1.00 0.00 C ATOM 717 C LEU A 47 0.563 1.448 -13.190 1.00 0.00 C ATOM 718 O LEU A 47 1.215 2.491 -13.227 1.00 0.00 O ATOM 719 CB LEU A 47 -0.465 0.684 -11.014 1.00 0.00 C ATOM 720 CG LEU A 47 -0.070 1.719 -9.937 1.00 0.00 C ATOM 721 CD1 LEU A 47 1.094 2.581 -10.439 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.272 2.623 -9.580 1.00 0.00 C ATOM 0 H LEU A 47 -2.025 -0.271 -12.667 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.096 2.375 -12.203 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.356 0.145 -10.693 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.331 -0.052 -11.123 1.00 0.00 H new ATOM 0 HG LEU A 47 0.239 1.180 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.365 3.308 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.952 1.944 -10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.794 3.105 -11.346 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.972 3.344 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.606 3.153 -10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.087 2.010 -9.196 1.00 0.00 H new ATOM 734 N GLN A 48 0.927 0.346 -13.840 1.00 0.00 N ATOM 735 CA GLN A 48 2.143 0.311 -14.649 1.00 0.00 C ATOM 736 C GLN A 48 2.056 1.313 -15.795 1.00 0.00 C ATOM 737 O GLN A 48 1.927 0.929 -16.958 1.00 0.00 O ATOM 738 CB GLN A 48 2.351 -1.090 -15.224 1.00 0.00 C ATOM 739 CG GLN A 48 2.482 -2.102 -14.085 1.00 0.00 C ATOM 740 CD GLN A 48 2.772 -3.488 -14.652 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.477 -3.615 -15.653 1.00 0.00 O ATOM 742 NE2 GLN A 48 2.267 -4.543 -14.071 1.00 0.00 N ATOM 0 H GLN A 48 0.402 -0.529 -13.823 1.00 0.00 H new ATOM 0 HA GLN A 48 2.984 0.574 -14.008 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.512 -1.358 -15.866 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.247 -1.109 -15.845 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.283 -1.801 -13.410 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.563 -2.124 -13.499 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.683 -4.438 -13.242 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.457 -5.472 -14.447 1.00 0.00 H new ATOM 751 N GLY A 49 2.127 2.596 -15.459 1.00 0.00 N ATOM 752 CA GLY A 49 2.055 3.649 -16.469 1.00 0.00 C ATOM 753 C GLY A 49 2.752 4.917 -15.990 1.00 0.00 C ATOM 754 O GLY A 49 2.650 5.967 -16.624 1.00 0.00 O ATOM 0 H GLY A 49 2.234 2.932 -14.502 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.518 3.303 -17.393 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.012 3.868 -16.697 1.00 0.00 H new ATOM 758 N VAL A 50 3.463 4.814 -14.865 1.00 0.00 N ATOM 759 CA VAL A 50 4.183 5.962 -14.298 1.00 0.00 C ATOM 760 C VAL A 50 5.647 5.584 -14.041 1.00 0.00 C ATOM 761 O VAL A 50 6.037 4.433 -14.229 1.00 0.00 O ATOM 762 CB VAL A 50 3.471 6.427 -12.994 1.00 0.00 C ATOM 763 CG1 VAL A 50 4.085 5.772 -11.744 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.563 7.955 -12.853 1.00 0.00 C ATOM 0 H VAL A 50 3.557 3.952 -14.328 1.00 0.00 H new ATOM 0 HA VAL A 50 4.175 6.793 -15.003 1.00 0.00 H new ATOM 0 HB VAL A 50 2.428 6.120 -13.070 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.561 6.122 -10.855 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.991 4.689 -11.818 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.139 6.041 -11.673 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.061 8.267 -11.937 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.610 8.254 -12.813 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.083 8.429 -13.709 1.00 0.00 H new ATOM 774 N SER A 51 6.450 6.556 -13.606 1.00 0.00 N ATOM 775 CA SER A 51 7.867 6.318 -13.317 1.00 0.00 C ATOM 776 C SER A 51 8.118 6.556 -11.839 1.00 0.00 C ATOM 777 O SER A 51 7.306 7.192 -11.180 1.00 0.00 O ATOM 778 CB SER A 51 8.738 7.264 -14.141 1.00 0.00 C ATOM 779 OG SER A 51 8.442 7.097 -15.522 1.00 0.00 O ATOM 0 H SER A 51 6.144 7.516 -13.446 1.00 0.00 H new ATOM 0 HA SER A 51 8.120 5.290 -13.577 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.557 8.296 -13.841 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.792 7.059 -13.956 1.00 0.00 H new ATOM 0 HG SER A 51 8.999 7.705 -16.052 1.00 0.00 H new ATOM 785 N VAL A 52 9.241 6.055 -11.328 1.00 0.00 N ATOM 786 CA VAL A 52 9.575 6.229 -9.913 1.00 0.00 C ATOM 787 C VAL A 52 9.547 7.715 -9.523 1.00 0.00 C ATOM 788 O VAL A 52 8.978 8.085 -8.497 1.00 0.00 O ATOM 789 CB VAL A 52 10.965 5.608 -9.626 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.703 6.374 -8.515 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.791 4.147 -9.187 1.00 0.00 C ATOM 0 H VAL A 52 9.930 5.530 -11.866 1.00 0.00 H new ATOM 0 HA VAL A 52 8.828 5.715 -9.308 1.00 0.00 H new ATOM 0 HB VAL A 52 11.555 5.667 -10.541 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.675 5.912 -8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.844 7.411 -8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.114 6.342 -7.598 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.768 3.709 -8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.182 4.109 -8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.299 3.585 -9.981 1.00 0.00 H new ATOM 801 N THR A 53 10.189 8.549 -10.332 1.00 0.00 N ATOM 802 CA THR A 53 10.258 9.981 -10.048 1.00 0.00 C ATOM 803 C THR A 53 8.873 10.586 -9.813 1.00 0.00 C ATOM 804 O THR A 53 8.753 11.608 -9.155 1.00 0.00 O ATOM 805 CB THR A 53 10.946 10.709 -11.217 1.00 0.00 C ATOM 806 OG1 THR A 53 12.352 10.527 -11.117 1.00 0.00 O ATOM 807 CG2 THR A 53 10.623 12.211 -11.173 1.00 0.00 C ATOM 0 H THR A 53 10.668 8.263 -11.186 1.00 0.00 H new ATOM 0 HA THR A 53 10.836 10.108 -9.133 1.00 0.00 H new ATOM 0 HB THR A 53 10.582 10.297 -12.158 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.795 10.987 -11.860 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.116 12.714 -12.005 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.545 12.354 -11.250 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.979 12.632 -10.233 1.00 0.00 H new ATOM 815 N ASP A 54 7.842 9.977 -10.363 1.00 0.00 N ATOM 816 CA ASP A 54 6.494 10.508 -10.203 1.00 0.00 C ATOM 817 C ASP A 54 5.955 10.221 -8.804 1.00 0.00 C ATOM 818 O ASP A 54 5.151 10.982 -8.268 1.00 0.00 O ATOM 819 CB ASP A 54 5.571 9.888 -11.247 1.00 0.00 C ATOM 820 CG ASP A 54 4.250 10.649 -11.299 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.660 10.847 -10.251 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.850 11.025 -12.390 1.00 0.00 O ATOM 0 H ASP A 54 7.904 9.124 -10.919 1.00 0.00 H new ATOM 0 HA ASP A 54 6.532 11.589 -10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.050 9.909 -12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.387 8.841 -11.005 1.00 0.00 H new ATOM 827 N LEU A 55 6.372 9.100 -8.236 1.00 0.00 N ATOM 828 CA LEU A 55 5.898 8.698 -6.912 1.00 0.00 C ATOM 829 C LEU A 55 6.375 9.652 -5.811 1.00 0.00 C ATOM 830 O LEU A 55 5.559 10.285 -5.145 1.00 0.00 O ATOM 831 CB LEU A 55 6.385 7.278 -6.577 1.00 0.00 C ATOM 832 CG LEU A 55 5.694 6.234 -7.476 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.038 6.494 -8.944 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.181 4.832 -7.075 1.00 0.00 C ATOM 0 H LEU A 55 7.034 8.453 -8.665 1.00 0.00 H new ATOM 0 HA LEU A 55 4.809 8.728 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.465 7.219 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.179 7.056 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 55 4.614 6.305 -7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.545 5.751 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.698 7.490 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.117 6.426 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.698 4.085 -7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.262 4.772 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.929 4.644 -6.031 1.00 0.00 H new ATOM 846 N LYS A 56 7.692 9.728 -5.600 1.00 0.00 N ATOM 847 CA LYS A 56 8.248 10.583 -4.539 1.00 0.00 C ATOM 848 C LYS A 56 7.756 12.028 -4.616 1.00 0.00 C ATOM 849 O LYS A 56 7.567 12.678 -3.588 1.00 0.00 O ATOM 850 CB LYS A 56 9.778 10.583 -4.602 1.00 0.00 C ATOM 851 CG LYS A 56 10.333 11.371 -3.410 1.00 0.00 C ATOM 852 CD LYS A 56 11.827 11.072 -3.222 1.00 0.00 C ATOM 853 CE LYS A 56 12.569 11.213 -4.555 1.00 0.00 C ATOM 854 NZ LYS A 56 14.010 11.480 -4.288 1.00 0.00 N ATOM 0 H LYS A 56 8.389 9.216 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 56 7.901 10.160 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.154 9.560 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.115 11.030 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.187 12.439 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.786 11.108 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.252 11.756 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.957 10.063 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.459 10.303 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.139 12.026 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.533 11.492 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.111 12.401 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.394 10.733 -3.674 1.00 0.00 H new ATOM 868 N ILE A 57 7.552 12.529 -5.825 1.00 0.00 N ATOM 869 CA ILE A 57 7.086 13.904 -6.001 1.00 0.00 C ATOM 870 C ILE A 57 5.580 13.971 -5.784 1.00 0.00 C ATOM 871 O ILE A 57 5.025 15.035 -5.519 1.00 0.00 O ATOM 872 CB ILE A 57 7.461 14.410 -7.402 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.633 13.673 -8.462 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.949 14.130 -7.632 1.00 0.00 C ATOM 875 CD1 ILE A 57 7.060 14.096 -9.877 1.00 0.00 C ATOM 0 H ILE A 57 7.699 12.014 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 57 7.569 14.547 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 57 7.259 15.478 -7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.759 12.597 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.574 13.887 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.237 14.482 -8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.538 14.650 -6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.133 13.058 -7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.460 13.561 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.910 15.169 -9.997 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.113 13.858 -10.026 1.00 0.00 H new ATOM 887 N GLY A 58 4.928 12.817 -5.897 1.00 0.00 N ATOM 888 CA GLY A 58 3.484 12.741 -5.713 1.00 0.00 C ATOM 889 C GLY A 58 3.096 13.028 -4.266 1.00 0.00 C ATOM 890 O GLY A 58 2.085 13.682 -4.007 1.00 0.00 O ATOM 0 H GLY A 58 5.375 11.926 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.993 13.456 -6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.130 11.750 -5.997 1.00 0.00 H new ATOM 894 N LEU A 59 3.899 12.540 -3.320 1.00 0.00 N ATOM 895 CA LEU A 59 3.608 12.766 -1.908 1.00 0.00 C ATOM 896 C LEU A 59 3.983 14.187 -1.521 1.00 0.00 C ATOM 897 O LEU A 59 3.145 14.934 -1.015 1.00 0.00 O ATOM 898 CB LEU A 59 4.363 11.773 -1.011 1.00 0.00 C ATOM 899 CG LEU A 59 3.959 10.311 -1.313 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.430 10.153 -1.309 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.521 9.865 -2.672 1.00 0.00 C ATOM 0 H LEU A 59 4.742 11.995 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 59 2.539 12.613 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.436 11.892 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.158 11.999 0.035 1.00 0.00 H new ATOM 0 HG LEU A 59 4.379 9.680 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.171 9.116 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.038 10.430 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.995 10.801 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.226 8.834 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.127 10.510 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.609 9.935 -2.657 1.00 0.00 H new ATOM 913 N ALA A 60 5.227 14.579 -1.778 1.00 0.00 N ATOM 914 CA ALA A 60 5.643 15.936 -1.461 1.00 0.00 C ATOM 915 C ALA A 60 4.892 16.906 -2.357 1.00 0.00 C ATOM 916 O ALA A 60 4.536 18.009 -1.940 1.00 0.00 O ATOM 917 CB ALA A 60 7.152 16.101 -1.669 1.00 0.00 C ATOM 0 H ALA A 60 5.948 13.990 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 60 5.416 16.143 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.443 17.123 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.687 15.408 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.401 15.890 -2.709 1.00 0.00 H new ATOM 923 N GLY A 61 4.643 16.477 -3.598 1.00 0.00 N ATOM 924 CA GLY A 61 3.915 17.305 -4.562 1.00 0.00 C ATOM 925 C GLY A 61 4.779 17.619 -5.773 1.00 0.00 C ATOM 926 O GLY A 61 4.378 17.376 -6.912 1.00 0.00 O ATOM 0 H GLY A 61 4.933 15.567 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.010 16.788 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.600 18.233 -4.085 1.00 0.00 H new ATOM 930 N SER A 62 5.968 18.164 -5.527 1.00 0.00 N ATOM 931 CA SER A 62 6.884 18.509 -6.613 1.00 0.00 C ATOM 932 C SER A 62 8.321 18.170 -6.239 1.00 0.00 C ATOM 933 O SER A 62 8.682 18.150 -5.062 1.00 0.00 O ATOM 934 CB SER A 62 6.779 20.002 -6.924 1.00 0.00 C ATOM 935 OG SER A 62 7.576 20.301 -8.064 1.00 0.00 O ATOM 0 H SER A 62 6.319 18.375 -4.593 1.00 0.00 H new ATOM 0 HA SER A 62 6.606 17.928 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.740 20.274 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.113 20.588 -6.068 1.00 0.00 H new ATOM 0 HG SER A 62 7.640 21.273 -8.173 1.00 0.00 H new ATOM 941 N GLU A 63 9.134 17.898 -7.252 1.00 0.00 N ATOM 942 CA GLU A 63 10.533 17.553 -7.048 1.00 0.00 C ATOM 943 C GLU A 63 11.297 18.668 -6.326 1.00 0.00 C ATOM 944 O GLU A 63 12.524 18.732 -6.403 1.00 0.00 O ATOM 945 CB GLU A 63 11.202 17.266 -8.397 1.00 0.00 C ATOM 946 CG GLU A 63 11.045 18.475 -9.329 1.00 0.00 C ATOM 947 CD GLU A 63 12.033 19.571 -8.941 1.00 0.00 C ATOM 948 OE1 GLU A 63 13.225 19.313 -8.992 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.583 20.653 -8.600 1.00 0.00 O ATOM 0 H GLU A 63 8.844 17.910 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 63 10.563 16.663 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.259 17.046 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.754 16.384 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.215 18.171 -10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.026 18.857 -9.272 1.00 0.00 H new ATOM 956 N GLU A 64 10.574 19.543 -5.624 1.00 0.00 N ATOM 957 CA GLU A 64 11.201 20.643 -4.895 1.00 0.00 C ATOM 958 C GLU A 64 11.385 20.285 -3.422 1.00 0.00 C ATOM 959 O GLU A 64 12.502 20.306 -2.905 1.00 0.00 O ATOM 960 CB GLU A 64 10.333 21.900 -5.002 1.00 0.00 C ATOM 961 CG GLU A 64 10.048 22.214 -6.473 1.00 0.00 C ATOM 962 CD GLU A 64 8.994 23.311 -6.575 1.00 0.00 C ATOM 963 OE1 GLU A 64 8.768 23.984 -5.583 1.00 0.00 O ATOM 964 OE2 GLU A 64 8.427 23.463 -7.645 1.00 0.00 O ATOM 0 H GLU A 64 9.558 19.510 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 64 12.180 20.829 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.396 21.752 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.840 22.743 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.965 22.531 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.702 21.316 -6.985 1.00 0.00 H new ATOM 971 N ASP A 65 10.277 19.999 -2.738 1.00 0.00 N ATOM 972 CA ASP A 65 10.319 19.683 -1.310 1.00 0.00 C ATOM 973 C ASP A 65 10.682 18.221 -1.038 1.00 0.00 C ATOM 974 O ASP A 65 10.966 17.857 0.102 1.00 0.00 O ATOM 975 CB ASP A 65 8.948 19.992 -0.688 1.00 0.00 C ATOM 976 CG ASP A 65 9.089 20.271 0.807 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.009 19.741 1.404 1.00 0.00 O ATOM 978 OD2 ASP A 65 8.271 21.010 1.330 1.00 0.00 O ATOM 0 H ASP A 65 9.343 19.980 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 65 11.099 20.297 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.503 20.854 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.273 19.151 -0.845 1.00 0.00 H new ATOM 983 N VAL A 66 10.671 17.383 -2.068 1.00 0.00 N ATOM 984 CA VAL A 66 11.004 15.975 -1.867 1.00 0.00 C ATOM 985 C VAL A 66 12.335 15.850 -1.131 1.00 0.00 C ATOM 986 O VAL A 66 12.573 14.877 -0.415 1.00 0.00 O ATOM 987 CB VAL A 66 11.091 15.242 -3.205 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.697 15.070 -3.798 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.944 16.048 -4.176 1.00 0.00 C ATOM 0 H VAL A 66 10.442 17.643 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 66 10.214 15.522 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 66 11.540 14.263 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.769 14.547 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.079 14.491 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.245 16.049 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.004 15.523 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.493 17.028 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.946 16.170 -3.765 1.00 0.00 H new ATOM 999 N ASP A 67 13.198 16.844 -1.315 1.00 0.00 N ATOM 1000 CA ASP A 67 14.504 16.842 -0.668 1.00 0.00 C ATOM 1001 C ASP A 67 14.352 16.711 0.844 1.00 0.00 C ATOM 1002 O ASP A 67 15.265 16.256 1.533 1.00 0.00 O ATOM 1003 CB ASP A 67 15.251 18.136 -1.000 1.00 0.00 C ATOM 1004 CG ASP A 67 15.346 18.313 -2.512 1.00 0.00 C ATOM 1005 OD1 ASP A 67 15.948 17.464 -3.150 1.00 0.00 O ATOM 1006 OD2 ASP A 67 14.816 19.292 -3.009 1.00 0.00 O ATOM 0 H ASP A 67 13.017 17.657 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 67 15.073 15.989 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.733 18.987 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.250 18.110 -0.566 1.00 0.00 H new ATOM 1011 N MET A 68 13.190 17.114 1.355 1.00 0.00 N ATOM 1012 CA MET A 68 12.918 17.039 2.790 1.00 0.00 C ATOM 1013 C MET A 68 12.203 15.733 3.132 1.00 0.00 C ATOM 1014 O MET A 68 12.442 15.138 4.183 1.00 0.00 O ATOM 1015 CB MET A 68 12.049 18.229 3.218 1.00 0.00 C ATOM 1016 CG MET A 68 12.473 19.481 2.447 1.00 0.00 C ATOM 1017 SD MET A 68 14.265 19.703 2.586 1.00 0.00 S ATOM 1018 CE MET A 68 14.377 21.227 1.617 1.00 0.00 C ATOM 0 H MET A 68 12.424 17.495 0.799 1.00 0.00 H new ATOM 0 HA MET A 68 13.867 17.070 3.325 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.998 18.011 3.027 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.150 18.399 4.290 1.00 0.00 H new ATOM 0 HG2 MET A 68 12.188 19.389 1.399 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.956 20.356 2.842 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.416 21.553 1.570 1.00 0.00 H new ATOM 0 HE2 MET A 68 14.008 21.044 0.608 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.774 22.003 2.089 1.00 0.00 H new ATOM 1028 N LEU A 69 11.323 15.297 2.237 1.00 0.00 N ATOM 1029 CA LEU A 69 10.571 14.065 2.450 1.00 0.00 C ATOM 1030 C LEU A 69 11.512 12.930 2.863 1.00 0.00 C ATOM 1031 O LEU A 69 12.389 12.524 2.101 1.00 0.00 O ATOM 1032 CB LEU A 69 9.820 13.695 1.164 1.00 0.00 C ATOM 1033 CG LEU A 69 8.663 12.721 1.472 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.507 13.454 2.188 1.00 0.00 C ATOM 1035 CD2 LEU A 69 8.141 12.114 0.157 1.00 0.00 C ATOM 0 H LEU A 69 11.113 15.776 1.361 1.00 0.00 H new ATOM 0 HA LEU A 69 9.851 14.220 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.428 14.597 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.508 13.238 0.453 1.00 0.00 H new ATOM 0 HG LEU A 69 9.037 11.933 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.702 12.749 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.869 13.877 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.133 14.254 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.324 11.426 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.782 12.911 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.947 11.575 -0.340 1.00 0.00 H new ATOM 1047 N ASP A 70 11.320 12.437 4.084 1.00 0.00 N ATOM 1048 CA ASP A 70 12.152 11.361 4.624 1.00 0.00 C ATOM 1049 C ASP A 70 12.390 10.257 3.594 1.00 0.00 C ATOM 1050 O ASP A 70 13.293 9.436 3.758 1.00 0.00 O ATOM 1051 CB ASP A 70 11.478 10.763 5.861 1.00 0.00 C ATOM 1052 CG ASP A 70 12.480 9.928 6.652 1.00 0.00 C ATOM 1053 OD1 ASP A 70 13.338 10.517 7.288 1.00 0.00 O ATOM 1054 OD2 ASP A 70 12.375 8.714 6.607 1.00 0.00 O ATOM 0 H ASP A 70 10.594 12.765 4.721 1.00 0.00 H new ATOM 0 HA ASP A 70 13.119 11.789 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.081 11.560 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.633 10.143 5.561 1.00 0.00 H new ATOM 1059 N THR A 71 11.583 10.235 2.542 1.00 0.00 N ATOM 1060 CA THR A 71 11.729 9.216 1.506 1.00 0.00 C ATOM 1061 C THR A 71 13.193 9.164 1.016 1.00 0.00 C ATOM 1062 O THR A 71 13.688 10.152 0.472 1.00 0.00 O ATOM 1063 CB THR A 71 10.791 9.546 0.339 1.00 0.00 C ATOM 1064 OG1 THR A 71 9.562 10.030 0.858 1.00 0.00 O ATOM 1065 CG2 THR A 71 10.524 8.291 -0.490 1.00 0.00 C ATOM 0 H THR A 71 10.828 10.902 2.382 1.00 0.00 H new ATOM 0 HA THR A 71 11.467 8.240 1.915 1.00 0.00 H new ATOM 0 HB THR A 71 11.256 10.301 -0.295 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.817 9.559 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.857 8.536 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.465 7.909 -0.885 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.059 7.532 0.139 1.00 0.00 H new ATOM 1073 N PRO A 72 13.906 8.065 1.209 1.00 0.00 N ATOM 1074 CA PRO A 72 15.340 7.955 0.785 1.00 0.00 C ATOM 1075 C PRO A 72 15.519 7.671 -0.710 1.00 0.00 C ATOM 1076 O PRO A 72 16.575 7.198 -1.128 1.00 0.00 O ATOM 1077 CB PRO A 72 15.857 6.788 1.631 1.00 0.00 C ATOM 1078 CG PRO A 72 14.674 5.889 1.792 1.00 0.00 C ATOM 1079 CD PRO A 72 13.446 6.809 1.846 1.00 0.00 C ATOM 0 HA PRO A 72 15.878 8.891 0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.681 6.274 1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.229 7.132 2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.600 5.189 0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.757 5.295 2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.601 6.377 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.120 6.979 2.872 1.00 0.00 H new ATOM 1087 N MET A 73 14.496 7.961 -1.508 1.00 0.00 N ATOM 1088 CA MET A 73 14.575 7.731 -2.953 1.00 0.00 C ATOM 1089 C MET A 73 14.671 6.238 -3.271 1.00 0.00 C ATOM 1090 O MET A 73 14.491 5.828 -4.418 1.00 0.00 O ATOM 1091 CB MET A 73 15.796 8.459 -3.536 1.00 0.00 C ATOM 1092 CG MET A 73 15.626 8.656 -5.048 1.00 0.00 C ATOM 1093 SD MET A 73 17.249 8.921 -5.805 1.00 0.00 S ATOM 1094 CE MET A 73 17.825 10.207 -4.668 1.00 0.00 C ATOM 0 H MET A 73 13.610 8.352 -1.187 1.00 0.00 H new ATOM 0 HA MET A 73 13.664 8.123 -3.405 1.00 0.00 H new ATOM 0 HB2 MET A 73 15.919 9.426 -3.048 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.700 7.884 -3.337 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.145 7.782 -5.488 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.977 9.510 -5.244 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.636 10.767 -5.133 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.002 10.884 -4.437 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.184 9.745 -3.748 1.00 0.00 H new ATOM 1104 N SER A 74 14.945 5.423 -2.255 1.00 0.00 N ATOM 1105 CA SER A 74 15.051 3.976 -2.447 1.00 0.00 C ATOM 1106 C SER A 74 13.735 3.307 -2.083 1.00 0.00 C ATOM 1107 O SER A 74 13.511 2.136 -2.391 1.00 0.00 O ATOM 1108 CB SER A 74 16.165 3.415 -1.564 1.00 0.00 C ATOM 1109 OG SER A 74 15.984 2.012 -1.417 1.00 0.00 O ATOM 0 H SER A 74 15.097 5.736 -1.296 1.00 0.00 H new ATOM 0 HA SER A 74 15.282 3.776 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.138 3.623 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.151 3.900 -0.588 1.00 0.00 H new ATOM 0 HG SER A 74 15.251 1.714 -1.995 1.00 0.00 H new ATOM 1115 N ALA A 75 12.873 4.064 -1.417 1.00 0.00 N ATOM 1116 CA ALA A 75 11.577 3.554 -0.999 1.00 0.00 C ATOM 1117 C ALA A 75 10.633 3.418 -2.194 1.00 0.00 C ATOM 1118 O ALA A 75 9.783 2.529 -2.223 1.00 0.00 O ATOM 1119 CB ALA A 75 10.982 4.487 0.046 1.00 0.00 C ATOM 0 H ALA A 75 13.049 5.034 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 75 11.710 2.563 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.010 4.107 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.648 4.540 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.861 5.482 -0.381 1.00 0.00 H new ATOM 1125 N LEU A 76 10.789 4.289 -3.184 1.00 0.00 N ATOM 1126 CA LEU A 76 9.943 4.209 -4.369 1.00 0.00 C ATOM 1127 C LEU A 76 10.286 2.940 -5.125 1.00 0.00 C ATOM 1128 O LEU A 76 9.438 2.075 -5.347 1.00 0.00 O ATOM 1129 CB LEU A 76 10.162 5.400 -5.321 1.00 0.00 C ATOM 1130 CG LEU A 76 9.960 6.777 -4.633 1.00 0.00 C ATOM 1131 CD1 LEU A 76 8.909 6.701 -3.515 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.301 7.301 -4.069 1.00 0.00 C ATOM 0 H LEU A 76 11.477 5.042 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 76 8.905 4.219 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.171 5.350 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.473 5.316 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 76 9.595 7.473 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.794 7.683 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.955 6.382 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.232 5.984 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.142 8.267 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.689 6.593 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.019 7.413 -4.882 1.00 0.00 H new ATOM 1144 N LYS A 77 11.549 2.848 -5.522 1.00 0.00 N ATOM 1145 CA LYS A 77 12.038 1.698 -6.263 1.00 0.00 C ATOM 1146 C LYS A 77 11.698 0.409 -5.522 1.00 0.00 C ATOM 1147 O LYS A 77 11.720 -0.677 -6.102 1.00 0.00 O ATOM 1148 CB LYS A 77 13.561 1.833 -6.480 1.00 0.00 C ATOM 1149 CG LYS A 77 13.954 3.330 -6.536 1.00 0.00 C ATOM 1150 CD LYS A 77 15.197 3.534 -7.419 1.00 0.00 C ATOM 1151 CE LYS A 77 15.937 4.811 -6.996 1.00 0.00 C ATOM 1152 NZ LYS A 77 17.155 4.978 -7.838 1.00 0.00 N ATOM 0 H LYS A 77 12.255 3.562 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 77 11.552 1.659 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.098 1.337 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.851 1.337 -7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.123 3.915 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.153 3.697 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.860 2.674 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.902 3.604 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.284 5.677 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.214 4.752 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.658 5.843 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.780 4.156 -7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.878 5.052 -8.838 1.00 0.00 H new ATOM 1166 N ASP A 78 11.345 0.539 -4.245 1.00 0.00 N ATOM 1167 CA ASP A 78 10.958 -0.614 -3.444 1.00 0.00 C ATOM 1168 C ASP A 78 9.468 -0.870 -3.648 1.00 0.00 C ATOM 1169 O ASP A 78 9.050 -1.984 -3.965 1.00 0.00 O ATOM 1170 CB ASP A 78 11.258 -0.347 -1.954 1.00 0.00 C ATOM 1171 CG ASP A 78 12.708 -0.701 -1.630 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.103 -1.819 -1.920 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.400 0.150 -1.098 1.00 0.00 O ATOM 0 H ASP A 78 11.320 1.429 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 78 11.526 -1.491 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.073 0.702 -1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.585 -0.936 -1.330 1.00 0.00 H new ATOM 1178 N ALA A 79 8.677 0.182 -3.460 1.00 0.00 N ATOM 1179 CA ALA A 79 7.231 0.098 -3.617 1.00 0.00 C ATOM 1180 C ALA A 79 6.838 -0.100 -5.083 1.00 0.00 C ATOM 1181 O ALA A 79 6.130 -1.051 -5.414 1.00 0.00 O ATOM 1182 CB ALA A 79 6.590 1.380 -3.087 1.00 0.00 C ATOM 0 H ALA A 79 9.017 1.107 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 79 6.876 -0.764 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.508 1.321 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.836 1.500 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.969 2.235 -3.648 1.00 0.00 H new ATOM 1188 N VAL A 80 7.281 0.819 -5.951 1.00 0.00 N ATOM 1189 CA VAL A 80 6.957 0.756 -7.383 1.00 0.00 C ATOM 1190 C VAL A 80 6.909 -0.692 -7.872 1.00 0.00 C ATOM 1191 O VAL A 80 6.207 -1.021 -8.827 1.00 0.00 O ATOM 1192 CB VAL A 80 7.980 1.572 -8.187 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.213 0.725 -8.522 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.346 2.063 -9.493 1.00 0.00 C ATOM 0 H VAL A 80 7.864 1.614 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 80 5.968 1.187 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 80 8.287 2.422 -7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.923 1.325 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.683 0.386 -7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.911 -0.139 -9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.078 2.641 -10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.024 1.207 -10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.485 2.691 -9.266 1.00 0.00 H new ATOM 1204 N ARG A 81 7.660 -1.542 -7.189 1.00 0.00 N ATOM 1205 CA ARG A 81 7.711 -2.958 -7.529 1.00 0.00 C ATOM 1206 C ARG A 81 6.450 -3.656 -7.036 1.00 0.00 C ATOM 1207 O ARG A 81 5.751 -4.330 -7.792 1.00 0.00 O ATOM 1208 CB ARG A 81 8.926 -3.609 -6.865 1.00 0.00 C ATOM 1209 CG ARG A 81 9.151 -5.010 -7.450 1.00 0.00 C ATOM 1210 CD ARG A 81 10.010 -5.837 -6.490 1.00 0.00 C ATOM 1211 NE ARG A 81 11.301 -5.192 -6.286 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.256 -5.254 -7.207 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.049 -5.902 -8.320 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.401 -4.666 -6.998 1.00 0.00 N ATOM 0 H ARG A 81 8.243 -1.277 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 81 7.786 -3.054 -8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.811 -2.993 -7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.771 -3.675 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.194 -5.504 -7.614 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.642 -4.935 -8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.496 -5.949 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.156 -6.839 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 81 11.474 -4.683 -5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.153 -6.362 -8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.783 -5.949 -9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.563 -4.159 -6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.135 -4.713 -7.705 1.00 0.00 H new ATOM 1228 N ILE A 82 6.202 -3.510 -5.746 1.00 0.00 N ATOM 1229 CA ILE A 82 5.058 -4.141 -5.111 1.00 0.00 C ATOM 1230 C ILE A 82 3.745 -3.882 -5.873 1.00 0.00 C ATOM 1231 O ILE A 82 2.950 -4.807 -6.039 1.00 0.00 O ATOM 1232 CB ILE A 82 4.960 -3.669 -3.650 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.042 -4.368 -2.817 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.583 -4.011 -3.077 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.151 -3.697 -1.447 1.00 0.00 C ATOM 0 H ILE A 82 6.781 -2.957 -5.115 1.00 0.00 H new ATOM 0 HA ILE A 82 5.211 -5.220 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 82 5.103 -2.589 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.797 -5.423 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.000 -4.320 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.525 -3.672 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.811 -3.515 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.431 -5.090 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.920 -4.196 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.416 -2.648 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.194 -3.769 -0.930 1.00 0.00 H new ATOM 1247 N LEU A 83 3.501 -2.649 -6.344 1.00 0.00 N ATOM 1248 CA LEU A 83 2.250 -2.393 -7.078 1.00 0.00 C ATOM 1249 C LEU A 83 2.381 -2.898 -8.513 1.00 0.00 C ATOM 1250 O LEU A 83 1.406 -3.351 -9.109 1.00 0.00 O ATOM 1251 CB LEU A 83 1.811 -0.890 -7.101 1.00 0.00 C ATOM 1252 CG LEU A 83 2.539 -0.026 -6.052 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.669 -0.742 -4.698 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.897 0.379 -6.590 1.00 0.00 C ATOM 0 H LEU A 83 4.121 -1.846 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 83 1.473 -2.933 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.998 -0.479 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.736 -0.830 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 83 1.941 0.867 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.188 -0.094 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.676 -0.976 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.235 -1.665 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.414 0.990 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.486 -0.514 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.768 0.952 -7.508 1.00 0.00 H new ATOM 1266 N TRP A 84 3.590 -2.820 -9.062 1.00 0.00 N ATOM 1267 CA TRP A 84 3.818 -3.280 -10.434 1.00 0.00 C ATOM 1268 C TRP A 84 3.174 -4.655 -10.634 1.00 0.00 C ATOM 1269 O TRP A 84 2.763 -5.006 -11.740 1.00 0.00 O ATOM 1270 CB TRP A 84 5.342 -3.360 -10.705 1.00 0.00 C ATOM 1271 CG TRP A 84 5.772 -2.366 -11.742 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.520 -2.659 -12.828 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.507 -0.936 -11.799 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.737 -1.500 -13.549 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.131 -0.410 -12.956 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.795 -0.052 -10.970 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.052 0.945 -13.276 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.713 1.311 -11.290 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.342 1.807 -12.440 1.00 0.00 C ATOM 0 H TRP A 84 4.415 -2.450 -8.590 1.00 0.00 H new ATOM 0 HA TRP A 84 3.367 -2.576 -11.133 1.00 0.00 H new ATOM 0 HB2 TRP A 84 5.887 -3.179 -9.778 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.601 -4.366 -11.035 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.889 -3.640 -13.090 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.278 -1.455 -14.413 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.308 -0.425 -10.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.537 1.324 -14.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.162 1.982 -10.647 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.277 2.858 -12.679 1.00 0.00 H new ATOM 1290 N GLY A 85 3.103 -5.427 -9.552 1.00 0.00 N ATOM 1291 CA GLY A 85 2.525 -6.769 -9.603 1.00 0.00 C ATOM 1292 C GLY A 85 3.623 -7.816 -9.741 1.00 0.00 C ATOM 1293 O GLY A 85 3.358 -8.972 -10.071 1.00 0.00 O ATOM 0 H GLY A 85 3.438 -5.147 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.946 -6.957 -8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.835 -6.843 -10.444 1.00 0.00 H new ATOM 1297 N GLU A 86 4.864 -7.400 -9.483 1.00 0.00 N ATOM 1298 CA GLU A 86 6.018 -8.299 -9.574 1.00 0.00 C ATOM 1299 C GLU A 86 6.584 -8.574 -8.184 1.00 0.00 C ATOM 1300 O GLU A 86 7.571 -9.298 -8.043 1.00 0.00 O ATOM 1301 CB GLU A 86 7.103 -7.663 -10.460 1.00 0.00 C ATOM 1302 CG GLU A 86 6.752 -7.854 -11.942 1.00 0.00 C ATOM 1303 CD GLU A 86 5.309 -7.433 -12.206 1.00 0.00 C ATOM 1304 OE1 GLU A 86 5.073 -6.242 -12.327 1.00 0.00 O ATOM 1305 OE2 GLU A 86 4.463 -8.307 -12.287 1.00 0.00 O ATOM 0 H GLU A 86 5.097 -6.445 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 86 5.696 -9.242 -10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.192 -6.601 -10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.071 -8.117 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.428 -7.265 -12.561 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.890 -8.898 -12.223 1.00 0.00 H new ATOM 1312 N ALA A 87 5.954 -7.988 -7.162 1.00 0.00 N ATOM 1313 CA ALA A 87 6.391 -8.164 -5.775 1.00 0.00 C ATOM 1314 C ALA A 87 6.982 -9.562 -5.545 1.00 0.00 C ATOM 1315 O ALA A 87 7.904 -9.732 -4.747 1.00 0.00 O ATOM 1316 CB ALA A 87 5.192 -7.935 -4.834 1.00 0.00 C ATOM 0 H ALA A 87 5.138 -7.386 -7.270 1.00 0.00 H new ATOM 0 HA ALA A 87 7.175 -7.436 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.511 -8.065 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.809 -6.924 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.406 -8.655 -5.064 1.00 0.00 H new ATOM 1322 N GLU A 88 6.444 -10.551 -6.252 1.00 0.00 N ATOM 1323 CA GLU A 88 6.924 -11.922 -6.118 1.00 0.00 C ATOM 1324 C GLU A 88 8.447 -11.971 -6.183 1.00 0.00 C ATOM 1325 O GLU A 88 9.090 -12.647 -5.381 1.00 0.00 O ATOM 1326 CB GLU A 88 6.336 -12.792 -7.230 1.00 0.00 C ATOM 1327 CG GLU A 88 4.814 -12.832 -7.095 1.00 0.00 C ATOM 1328 CD GLU A 88 4.421 -13.674 -5.886 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.814 -14.828 -5.838 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.733 -13.151 -5.024 1.00 0.00 O ATOM 0 H GLU A 88 5.681 -10.430 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 88 6.603 -12.303 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.615 -12.392 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.744 -13.801 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.423 -11.820 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.371 -13.250 -7.999 1.00 0.00 H new ATOM 1337 N VAL A 89 9.021 -11.253 -7.144 1.00 0.00 N ATOM 1338 CA VAL A 89 10.471 -11.229 -7.298 1.00 0.00 C ATOM 1339 C VAL A 89 11.132 -10.699 -6.033 1.00 0.00 C ATOM 1340 O VAL A 89 11.029 -9.514 -5.716 1.00 0.00 O ATOM 1341 CB VAL A 89 10.862 -10.351 -8.486 1.00 0.00 C ATOM 1342 CG1 VAL A 89 12.384 -10.348 -8.633 1.00 0.00 C ATOM 1343 CG2 VAL A 89 10.230 -10.909 -9.762 1.00 0.00 C ATOM 0 H VAL A 89 8.510 -10.686 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 89 10.813 -12.248 -7.477 1.00 0.00 H new ATOM 0 HB VAL A 89 10.508 -9.334 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.667 -9.722 -9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.837 -9.953 -7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.735 -11.366 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.509 -10.283 -10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.585 -11.926 -9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.145 -10.916 -9.657 1.00 0.00 H new ATOM 1353 N ASP A 90 11.811 -11.585 -5.311 1.00 0.00 N ATOM 1354 CA ASP A 90 12.485 -11.193 -4.080 1.00 0.00 C ATOM 1355 C ASP A 90 13.813 -10.511 -4.388 1.00 0.00 C ATOM 1356 O ASP A 90 14.468 -10.825 -5.381 1.00 0.00 O ATOM 1357 CB ASP A 90 12.734 -12.422 -3.202 1.00 0.00 C ATOM 1358 CG ASP A 90 13.346 -13.544 -4.035 1.00 0.00 C ATOM 1359 OD1 ASP A 90 12.589 -14.325 -4.587 1.00 0.00 O ATOM 1360 OD2 ASP A 90 14.562 -13.605 -4.107 1.00 0.00 O ATOM 0 H ASP A 90 11.908 -12.571 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 90 11.843 -10.491 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.401 -12.163 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.797 -12.758 -2.758 1.00 0.00 H new ATOM 1365 N SER A 91 14.202 -9.578 -3.527 1.00 0.00 N ATOM 1366 CA SER A 91 15.454 -8.857 -3.712 1.00 0.00 C ATOM 1367 C SER A 91 16.642 -9.768 -3.420 1.00 0.00 C ATOM 1368 O SER A 91 16.611 -10.960 -3.727 1.00 0.00 O ATOM 1369 CB SER A 91 15.496 -7.644 -2.785 1.00 0.00 C ATOM 1370 OG SER A 91 14.287 -6.908 -2.922 1.00 0.00 O ATOM 0 H SER A 91 13.672 -9.305 -2.699 1.00 0.00 H new ATOM 0 HA SER A 91 15.514 -8.523 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.625 -7.966 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.350 -7.013 -3.031 1.00 0.00 H new ATOM 0 HG SER A 91 14.309 -6.129 -2.327 1.00 0.00 H new ATOM 1376 N LEU A 92 17.688 -9.201 -2.825 1.00 0.00 N ATOM 1377 CA LEU A 92 18.883 -9.973 -2.494 1.00 0.00 C ATOM 1378 C LEU A 92 18.713 -10.638 -1.123 1.00 0.00 C ATOM 1379 O LEU A 92 18.019 -10.101 -0.260 1.00 0.00 O ATOM 1380 CB LEU A 92 20.106 -9.047 -2.461 1.00 0.00 C ATOM 1381 CG LEU A 92 20.498 -8.608 -3.885 1.00 0.00 C ATOM 1382 CD1 LEU A 92 20.985 -9.813 -4.713 1.00 0.00 C ATOM 1383 CD2 LEU A 92 19.297 -7.949 -4.580 1.00 0.00 C ATOM 0 H LEU A 92 17.733 -8.216 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 92 19.028 -10.742 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 92 19.887 -8.170 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 92 20.944 -9.561 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 92 21.312 -7.887 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 92 21.257 -9.480 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 92 21.855 -10.258 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 92 20.188 -10.554 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 92 19.582 -7.642 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 92 18.474 -8.662 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.981 -7.076 -4.010 1.00 0.00 H new ATOM 1395 N PRO A 93 19.322 -11.781 -0.896 1.00 0.00 N ATOM 1396 CA PRO A 93 19.211 -12.495 0.411 1.00 0.00 C ATOM 1397 C PRO A 93 20.011 -11.795 1.512 1.00 0.00 C ATOM 1398 O PRO A 93 20.590 -12.445 2.382 1.00 0.00 O ATOM 1399 CB PRO A 93 19.776 -13.888 0.105 1.00 0.00 C ATOM 1400 CG PRO A 93 20.755 -13.661 -1.000 1.00 0.00 C ATOM 1401 CD PRO A 93 20.178 -12.522 -1.845 1.00 0.00 C ATOM 0 HA PRO A 93 18.188 -12.524 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 93 20.259 -14.321 0.981 1.00 0.00 H new ATOM 0 HB3 PRO A 93 18.988 -14.578 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 93 21.736 -13.396 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 93 20.886 -14.563 -1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 93 20.965 -11.888 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 93 19.604 -12.902 -2.690 1.00 0.00 H new ATOM 1409 N GLN A 94 20.036 -10.466 1.466 1.00 0.00 N ATOM 1410 CA GLN A 94 20.765 -9.690 2.461 1.00 0.00 C ATOM 1411 C GLN A 94 20.113 -9.847 3.839 1.00 0.00 C ATOM 1412 O GLN A 94 18.906 -10.068 3.931 1.00 0.00 O ATOM 1413 CB GLN A 94 20.775 -8.210 2.056 1.00 0.00 C ATOM 1414 CG GLN A 94 19.394 -7.815 1.527 1.00 0.00 C ATOM 1415 CD GLN A 94 19.273 -6.295 1.471 1.00 0.00 C ATOM 1416 OE1 GLN A 94 19.927 -5.591 2.240 1.00 0.00 O ATOM 1417 NE2 GLN A 94 18.472 -5.746 0.599 1.00 0.00 N ATOM 0 H GLN A 94 19.563 -9.908 0.755 1.00 0.00 H new ATOM 0 HA GLN A 94 21.790 -10.057 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 94 21.039 -7.590 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 94 21.532 -8.037 1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 94 19.241 -8.237 0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 94 18.617 -8.227 2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 94 17.931 -6.332 -0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.387 -4.731 0.553 1.00 0.00 H new ATOM 1426 N PRO A 95 20.873 -9.735 4.905 1.00 0.00 N ATOM 1427 CA PRO A 95 20.327 -9.869 6.290 1.00 0.00 C ATOM 1428 C PRO A 95 19.462 -8.669 6.680 1.00 0.00 C ATOM 1429 O PRO A 95 19.883 -7.520 6.548 1.00 0.00 O ATOM 1430 CB PRO A 95 21.586 -9.963 7.165 1.00 0.00 C ATOM 1431 CG PRO A 95 22.636 -9.227 6.397 1.00 0.00 C ATOM 1432 CD PRO A 95 22.326 -9.472 4.919 1.00 0.00 C ATOM 0 HA PRO A 95 19.670 -10.732 6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.423 -9.513 8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 95 21.874 -11.000 7.335 1.00 0.00 H new ATOM 0 HG2 PRO A 95 22.615 -8.162 6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 95 23.632 -9.589 6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 95 22.582 -8.607 4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 95 22.890 -10.318 4.526 1.00 0.00 H new ATOM 1440 N VAL A 96 18.255 -8.948 7.161 1.00 0.00 N ATOM 1441 CA VAL A 96 17.341 -7.885 7.566 1.00 0.00 C ATOM 1442 C VAL A 96 17.755 -7.310 8.917 1.00 0.00 C ATOM 1443 O VAL A 96 18.713 -7.810 9.482 1.00 0.00 O ATOM 1444 CB VAL A 96 15.915 -8.429 7.656 1.00 0.00 C ATOM 1445 CG1 VAL A 96 15.381 -8.701 6.249 1.00 0.00 C ATOM 1446 CG2 VAL A 96 15.916 -9.733 8.459 1.00 0.00 C ATOM 1447 OXT VAL A 96 17.109 -6.377 9.365 1.00 0.00 O ATOM 0 H VAL A 96 17.889 -9.893 7.279 1.00 0.00 H new ATOM 0 HA VAL A 96 17.380 -7.092 6.819 1.00 0.00 H new ATOM 0 HB VAL A 96 15.279 -7.695 8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 96 14.364 -9.089 6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.380 -7.774 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.018 -9.434 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 96 14.900 -10.121 8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.553 -10.465 7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.296 -9.542 9.463 1.00 0.00 H new TER 1457 VAL A 96