USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 GLY N :NH3+ -124:sc= 0.115 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 40:sc= 0.484 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 17 SER OG : rot 45:sc= 0.0973 USER MOD Single : A 18 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.74) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 27 GLN : amide:sc=-0.00173 X(o=-0.0017,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -5.58! C(o=-5.6!,f=-17!) USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00623) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-0.7) USER MOD Single : A 40 SER OG : rot -140:sc= -0.11 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.83! C(o=-2.8!,f=-11!) USER MOD Single : A 52 TYR OH : rot 30:sc= -0.109 USER MOD Single : A 53 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.1!) USER MOD Single : A 58 GLN : amide:sc= -0.383 K(o=-0.38,f=-0.94) USER MOD Single : A 61 LYS NZ :NH3+ -133:sc= 0.28 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.72 K(o=-0.72,f=-4.1!) USER MOD Single : A 66 TYR OH : rot 100:sc= 0.0192 USER MOD Single : A 67 ASN : amide:sc= -0.0028 X(o=-0.0028,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.573 -17.948 -4.191 1.00 0.00 N ATOM 2 CA GLY A 1 -4.155 -17.631 -4.216 1.00 0.00 C ATOM 3 C GLY A 1 -3.431 -18.443 -5.291 1.00 0.00 C ATOM 4 O GLY A 1 -4.052 -19.227 -6.007 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.126 -17.076 -4.317 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.794 -18.612 -4.960 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.815 -18.383 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.020 -16.566 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.715 -17.838 -3.241 1.00 0.00 H new ATOM 8 N SER A 2 -2.126 -18.228 -5.371 1.00 0.00 N ATOM 9 CA SER A 2 -1.310 -18.930 -6.347 1.00 0.00 C ATOM 10 C SER A 2 -0.001 -19.389 -5.701 1.00 0.00 C ATOM 11 O SER A 2 0.753 -18.575 -5.170 1.00 0.00 O ATOM 12 CB SER A 2 -1.021 -18.046 -7.562 1.00 0.00 C ATOM 13 OG SER A 2 -1.384 -18.682 -8.784 1.00 0.00 O ATOM 0 H SER A 2 -1.613 -17.577 -4.776 1.00 0.00 H new ATOM 0 HA SER A 2 -1.864 -19.803 -6.691 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.567 -17.108 -7.466 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.040 -17.796 -7.584 1.00 0.00 H new ATOM 0 HG SER A 2 -1.185 -18.085 -9.535 1.00 0.00 H new ATOM 19 N SER A 3 0.229 -20.692 -5.768 1.00 0.00 N ATOM 20 CA SER A 3 1.434 -21.269 -5.196 1.00 0.00 C ATOM 21 C SER A 3 2.615 -21.063 -6.147 1.00 0.00 C ATOM 22 O SER A 3 2.681 -21.687 -7.205 1.00 0.00 O ATOM 23 CB SER A 3 1.245 -22.758 -4.900 1.00 0.00 C ATOM 24 OG SER A 3 1.659 -23.097 -3.579 1.00 0.00 O ATOM 0 H SER A 3 -0.398 -21.364 -6.209 1.00 0.00 H new ATOM 0 HA SER A 3 1.642 -20.762 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.196 -23.023 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.814 -23.346 -5.620 1.00 0.00 H new ATOM 0 HG SER A 3 1.521 -24.055 -3.429 1.00 0.00 H new ATOM 30 N GLY A 4 3.519 -20.186 -5.736 1.00 0.00 N ATOM 31 CA GLY A 4 4.694 -19.891 -6.538 1.00 0.00 C ATOM 32 C GLY A 4 4.578 -18.513 -7.192 1.00 0.00 C ATOM 33 O GLY A 4 4.366 -17.512 -6.509 1.00 0.00 O ATOM 0 H GLY A 4 3.461 -19.670 -4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.585 -19.926 -5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.815 -20.654 -7.307 1.00 0.00 H new ATOM 37 N SER A 5 4.722 -18.505 -8.509 1.00 0.00 N ATOM 38 CA SER A 5 4.636 -17.266 -9.264 1.00 0.00 C ATOM 39 C SER A 5 5.499 -16.189 -8.603 1.00 0.00 C ATOM 40 O SER A 5 5.047 -15.502 -7.688 1.00 0.00 O ATOM 41 CB SER A 5 3.187 -16.789 -9.377 1.00 0.00 C ATOM 42 OG SER A 5 2.507 -16.845 -8.126 1.00 0.00 O ATOM 0 H SER A 5 4.898 -19.337 -9.073 1.00 0.00 H new ATOM 0 HA SER A 5 5.008 -17.453 -10.271 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.170 -15.766 -9.753 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.658 -17.405 -10.105 1.00 0.00 H new ATOM 0 HG SER A 5 3.112 -16.556 -7.412 1.00 0.00 H new ATOM 48 N SER A 6 6.725 -16.076 -9.091 1.00 0.00 N ATOM 49 CA SER A 6 7.655 -15.095 -8.559 1.00 0.00 C ATOM 50 C SER A 6 7.018 -13.704 -8.580 1.00 0.00 C ATOM 51 O SER A 6 6.432 -13.301 -9.584 1.00 0.00 O ATOM 52 CB SER A 6 8.965 -15.091 -9.351 1.00 0.00 C ATOM 53 OG SER A 6 9.943 -15.949 -8.770 1.00 0.00 O ATOM 0 H SER A 6 7.096 -16.648 -9.850 1.00 0.00 H new ATOM 0 HA SER A 6 7.885 -15.366 -7.529 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.770 -15.406 -10.376 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.357 -14.075 -9.399 1.00 0.00 H new ATOM 0 HG SER A 6 10.763 -15.920 -9.305 1.00 0.00 H new ATOM 59 N GLY A 7 7.153 -13.009 -7.460 1.00 0.00 N ATOM 60 CA GLY A 7 6.597 -11.672 -7.337 1.00 0.00 C ATOM 61 C GLY A 7 7.234 -10.919 -6.168 1.00 0.00 C ATOM 62 O GLY A 7 7.945 -11.511 -5.357 1.00 0.00 O ATOM 0 H GLY A 7 7.639 -13.347 -6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.761 -11.120 -8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.519 -11.735 -7.190 1.00 0.00 H new ATOM 66 N LEU A 8 6.957 -9.624 -6.118 1.00 0.00 N ATOM 67 CA LEU A 8 7.494 -8.784 -5.062 1.00 0.00 C ATOM 68 C LEU A 8 6.494 -8.725 -3.905 1.00 0.00 C ATOM 69 O LEU A 8 5.295 -8.562 -4.124 1.00 0.00 O ATOM 70 CB LEU A 8 7.877 -7.409 -5.613 1.00 0.00 C ATOM 71 CG LEU A 8 8.441 -6.413 -4.598 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.739 -5.785 -5.110 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.399 -5.355 -4.231 1.00 0.00 C ATOM 0 H LEU A 8 6.367 -9.136 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 8 8.415 -9.212 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.615 -7.549 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.995 -6.966 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 8 8.684 -6.956 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.119 -5.081 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.479 -6.567 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.545 -5.259 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.826 -4.660 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.102 -4.810 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.525 -5.840 -3.796 1.00 0.00 H new ATOM 85 N GLU A 9 7.025 -8.862 -2.699 1.00 0.00 N ATOM 86 CA GLU A 9 6.195 -8.827 -1.507 1.00 0.00 C ATOM 87 C GLU A 9 6.083 -7.395 -0.980 1.00 0.00 C ATOM 88 O GLU A 9 7.043 -6.629 -1.047 1.00 0.00 O ATOM 89 CB GLU A 9 6.741 -9.767 -0.430 1.00 0.00 C ATOM 90 CG GLU A 9 5.788 -9.845 0.764 1.00 0.00 C ATOM 91 CD GLU A 9 6.089 -11.072 1.627 1.00 0.00 C ATOM 92 OE1 GLU A 9 6.967 -10.945 2.508 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.434 -12.109 1.386 1.00 0.00 O ATOM 0 H GLU A 9 8.020 -8.998 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 9 5.197 -9.174 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.885 -10.762 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.718 -9.416 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.879 -8.941 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.758 -9.889 0.410 1.00 0.00 H new ATOM 100 N VAL A 10 4.904 -7.078 -0.467 1.00 0.00 N ATOM 101 CA VAL A 10 4.655 -5.751 0.072 1.00 0.00 C ATOM 102 C VAL A 10 3.722 -5.863 1.280 1.00 0.00 C ATOM 103 O VAL A 10 2.693 -6.534 1.214 1.00 0.00 O ATOM 104 CB VAL A 10 4.106 -4.836 -1.025 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.926 -3.407 -0.507 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.006 -4.862 -2.262 1.00 0.00 C ATOM 0 H VAL A 10 4.110 -7.716 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 10 5.584 -5.299 0.420 1.00 0.00 H new ATOM 0 HB VAL A 10 3.126 -5.213 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.535 -2.777 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.227 -3.408 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.888 -3.016 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.593 -4.203 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.006 -4.522 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.061 -5.879 -2.651 1.00 0.00 H new ATOM 116 N LEU A 11 4.115 -5.195 2.354 1.00 0.00 N ATOM 117 CA LEU A 11 3.327 -5.211 3.575 1.00 0.00 C ATOM 118 C LEU A 11 2.632 -3.859 3.746 1.00 0.00 C ATOM 119 O LEU A 11 2.938 -2.905 3.031 1.00 0.00 O ATOM 120 CB LEU A 11 4.197 -5.610 4.769 1.00 0.00 C ATOM 121 CG LEU A 11 4.678 -7.063 4.792 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.738 -7.307 3.716 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.175 -7.453 6.185 1.00 0.00 C ATOM 0 H LEU A 11 4.969 -4.639 2.404 1.00 0.00 H new ATOM 0 HA LEU A 11 2.544 -5.967 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.071 -4.958 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.634 -5.420 5.683 1.00 0.00 H new ATOM 0 HG LEU A 11 3.830 -7.708 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.063 -8.347 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.315 -7.095 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.592 -6.654 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.511 -8.490 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.004 -6.806 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.364 -7.342 6.905 1.00 0.00 H new ATOM 135 N VAL A 12 1.710 -3.819 4.696 1.00 0.00 N ATOM 136 CA VAL A 12 0.969 -2.600 4.970 1.00 0.00 C ATOM 137 C VAL A 12 0.422 -2.650 6.398 1.00 0.00 C ATOM 138 O VAL A 12 -0.347 -3.546 6.741 1.00 0.00 O ATOM 139 CB VAL A 12 -0.124 -2.404 3.918 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.025 -1.221 4.276 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.481 -2.230 2.524 1.00 0.00 C ATOM 0 H VAL A 12 1.459 -4.612 5.286 1.00 0.00 H new ATOM 0 HA VAL A 12 1.625 -1.732 4.904 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.741 -3.303 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.793 -1.104 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.498 -1.403 5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.427 -0.312 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.318 -2.093 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.133 -1.357 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.060 -3.117 2.265 1.00 0.00 H new ATOM 151 N LYS A 13 0.842 -1.676 7.193 1.00 0.00 N ATOM 152 CA LYS A 13 0.404 -1.598 8.576 1.00 0.00 C ATOM 153 C LYS A 13 -0.530 -0.397 8.744 1.00 0.00 C ATOM 154 O LYS A 13 -0.111 0.747 8.575 1.00 0.00 O ATOM 155 CB LYS A 13 1.608 -1.577 9.519 1.00 0.00 C ATOM 156 CG LYS A 13 1.159 -1.540 10.981 1.00 0.00 C ATOM 157 CD LYS A 13 2.354 -1.689 11.926 1.00 0.00 C ATOM 158 CE LYS A 13 2.222 -2.950 12.781 1.00 0.00 C ATOM 159 NZ LYS A 13 2.790 -2.724 14.129 1.00 0.00 N ATOM 0 H LYS A 13 1.481 -0.935 6.905 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.167 -2.487 8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.225 -2.459 9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.228 -0.707 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.646 -0.600 11.184 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.443 -2.341 11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.277 -1.733 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.423 -0.813 12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.172 -3.232 12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.737 -3.780 12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.692 -3.590 14.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.797 -2.477 14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.281 -1.946 14.594 1.00 0.00 H new ATOM 173 N THR A 14 -1.777 -0.699 9.074 1.00 0.00 N ATOM 174 CA THR A 14 -2.773 0.341 9.267 1.00 0.00 C ATOM 175 C THR A 14 -2.659 0.935 10.672 1.00 0.00 C ATOM 176 O THR A 14 -1.925 0.415 11.512 1.00 0.00 O ATOM 177 CB THR A 14 -4.148 -0.260 8.970 1.00 0.00 C ATOM 178 OG1 THR A 14 -4.207 -1.418 9.799 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.250 -0.815 7.548 1.00 0.00 C ATOM 0 H THR A 14 -2.120 -1.649 9.213 1.00 0.00 H new ATOM 0 HA THR A 14 -2.612 1.174 8.583 1.00 0.00 H new ATOM 0 HB THR A 14 -4.916 0.499 9.119 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.068 -1.869 9.671 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.246 -1.229 7.390 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.072 -0.013 6.831 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.505 -1.598 7.409 1.00 0.00 H new ATOM 187 N LEU A 15 -3.397 2.015 10.885 1.00 0.00 N ATOM 188 CA LEU A 15 -3.388 2.684 12.175 1.00 0.00 C ATOM 189 C LEU A 15 -4.151 1.833 13.192 1.00 0.00 C ATOM 190 O LEU A 15 -5.143 2.283 13.763 1.00 0.00 O ATOM 191 CB LEU A 15 -3.925 4.111 12.041 1.00 0.00 C ATOM 192 CG LEU A 15 -3.473 4.884 10.800 1.00 0.00 C ATOM 193 CD1 LEU A 15 -2.035 4.523 10.423 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.442 4.668 9.636 1.00 0.00 C ATOM 0 H LEU A 15 -4.005 2.443 10.186 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.368 2.784 12.545 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.014 4.070 12.042 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.626 4.675 12.925 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.487 5.948 11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.739 5.086 9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.369 4.770 11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.971 3.456 10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.097 5.228 8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.485 3.607 9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.435 5.015 9.921 1.00 0.00 H new ATOM 206 N ASP A 16 -3.659 0.619 13.387 1.00 0.00 N ATOM 207 CA ASP A 16 -4.282 -0.299 14.325 1.00 0.00 C ATOM 208 C ASP A 16 -3.409 -1.548 14.465 1.00 0.00 C ATOM 209 O ASP A 16 -3.923 -2.653 14.632 1.00 0.00 O ATOM 210 CB ASP A 16 -5.661 -0.740 13.831 1.00 0.00 C ATOM 211 CG ASP A 16 -6.726 -0.873 14.921 1.00 0.00 C ATOM 212 OD1 ASP A 16 -6.417 -1.529 15.940 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.825 -0.316 14.712 1.00 0.00 O ATOM 0 H ASP A 16 -2.836 0.249 12.911 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.389 0.216 15.280 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.011 -0.023 13.088 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.559 -1.700 13.325 1.00 0.00 H new ATOM 218 N SER A 17 -2.104 -1.331 14.393 1.00 0.00 N ATOM 219 CA SER A 17 -1.155 -2.425 14.509 1.00 0.00 C ATOM 220 C SER A 17 -1.686 -3.658 13.775 1.00 0.00 C ATOM 221 O SER A 17 -2.025 -4.660 14.403 1.00 0.00 O ATOM 222 CB SER A 17 -0.878 -2.759 15.976 1.00 0.00 C ATOM 223 OG SER A 17 -2.080 -2.964 16.714 1.00 0.00 O ATOM 0 H SER A 17 -1.681 -0.413 14.256 1.00 0.00 H new ATOM 0 HA SER A 17 -0.216 -2.114 14.051 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.260 -3.655 16.033 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.307 -1.949 16.431 1.00 0.00 H new ATOM 0 HG SER A 17 -2.689 -3.531 16.196 1.00 0.00 H new ATOM 229 N GLN A 18 -1.741 -3.544 12.456 1.00 0.00 N ATOM 230 CA GLN A 18 -2.224 -4.638 11.631 1.00 0.00 C ATOM 231 C GLN A 18 -1.446 -4.692 10.314 1.00 0.00 C ATOM 232 O GLN A 18 -1.726 -3.929 9.391 1.00 0.00 O ATOM 233 CB GLN A 18 -3.727 -4.508 11.374 1.00 0.00 C ATOM 234 CG GLN A 18 -4.533 -5.013 12.573 1.00 0.00 C ATOM 235 CD GLN A 18 -5.805 -5.731 12.115 1.00 0.00 C ATOM 236 OE1 GLN A 18 -5.957 -6.932 12.262 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.706 -4.929 11.555 1.00 0.00 N ATOM 0 H GLN A 18 -1.459 -2.711 11.939 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.059 -5.573 12.167 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.977 -3.466 11.176 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.998 -5.076 10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.921 -5.692 13.167 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.796 -4.175 13.218 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.514 -3.931 11.463 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.589 -5.311 11.217 1.00 0.00 H new ATOM 246 N THR A 19 -0.485 -5.603 10.269 1.00 0.00 N ATOM 247 CA THR A 19 0.335 -5.768 9.081 1.00 0.00 C ATOM 248 C THR A 19 -0.236 -6.870 8.187 1.00 0.00 C ATOM 249 O THR A 19 -0.706 -7.893 8.681 1.00 0.00 O ATOM 250 CB THR A 19 1.772 -6.035 9.532 1.00 0.00 C ATOM 251 OG1 THR A 19 2.200 -4.793 10.084 1.00 0.00 O ATOM 252 CG2 THR A 19 2.722 -6.267 8.355 1.00 0.00 C ATOM 0 H THR A 19 -0.256 -6.235 11.036 1.00 0.00 H new ATOM 0 HA THR A 19 0.333 -4.865 8.471 1.00 0.00 H new ATOM 0 HB THR A 19 1.790 -6.904 10.189 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.123 -4.877 10.403 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.728 -6.452 8.731 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.385 -7.130 7.780 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.730 -5.385 7.715 1.00 0.00 H new ATOM 260 N ARG A 20 -0.177 -6.622 6.887 1.00 0.00 N ATOM 261 CA ARG A 20 -0.683 -7.581 5.919 1.00 0.00 C ATOM 262 C ARG A 20 0.282 -7.702 4.738 1.00 0.00 C ATOM 263 O ARG A 20 0.548 -6.721 4.045 1.00 0.00 O ATOM 264 CB ARG A 20 -2.062 -7.165 5.401 1.00 0.00 C ATOM 265 CG ARG A 20 -3.129 -7.336 6.485 1.00 0.00 C ATOM 266 CD ARG A 20 -4.135 -6.185 6.450 1.00 0.00 C ATOM 267 NE ARG A 20 -4.910 -6.151 7.711 1.00 0.00 N ATOM 268 CZ ARG A 20 -5.914 -6.989 7.998 1.00 0.00 C ATOM 269 NH1 ARG A 20 -6.273 -7.933 7.117 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.561 -6.885 9.167 1.00 0.00 N ATOM 0 H ARG A 20 0.213 -5.771 6.481 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.771 -8.544 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.033 -6.125 5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.324 -7.766 4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.649 -8.283 6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.653 -7.378 7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.613 -5.239 6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.809 -6.306 5.602 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.664 -5.445 8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.781 -8.013 6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.038 -8.571 7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.289 -6.167 9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.326 -7.524 9.385 1.00 0.00 H new ATOM 284 N THR A 21 0.780 -8.914 4.544 1.00 0.00 N ATOM 285 CA THR A 21 1.710 -9.177 3.459 1.00 0.00 C ATOM 286 C THR A 21 0.956 -9.332 2.136 1.00 0.00 C ATOM 287 O THR A 21 -0.093 -9.973 2.087 1.00 0.00 O ATOM 288 CB THR A 21 2.539 -10.407 3.834 1.00 0.00 C ATOM 289 OG1 THR A 21 3.591 -9.883 4.639 1.00 0.00 O ATOM 290 CG2 THR A 21 3.260 -11.016 2.629 1.00 0.00 C ATOM 0 H THR A 21 0.557 -9.726 5.120 1.00 0.00 H new ATOM 0 HA THR A 21 2.393 -8.340 3.312 1.00 0.00 H new ATOM 0 HB THR A 21 1.891 -11.158 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.177 -10.614 4.928 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.834 -11.886 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.527 -11.320 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.934 -10.276 2.196 1.00 0.00 H new ATOM 298 N PHE A 22 1.520 -8.735 1.097 1.00 0.00 N ATOM 299 CA PHE A 22 0.914 -8.799 -0.222 1.00 0.00 C ATOM 300 C PHE A 22 1.955 -9.147 -1.288 1.00 0.00 C ATOM 301 O PHE A 22 3.074 -8.636 -1.257 1.00 0.00 O ATOM 302 CB PHE A 22 0.341 -7.412 -0.519 1.00 0.00 C ATOM 303 CG PHE A 22 -0.865 -7.038 0.346 1.00 0.00 C ATOM 304 CD1 PHE A 22 -2.020 -7.749 0.245 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.781 -5.996 1.215 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.139 -7.402 1.048 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.899 -5.649 2.018 1.00 0.00 C ATOM 308 CZ PHE A 22 -3.055 -6.359 1.918 1.00 0.00 C ATOM 0 H PHE A 22 2.390 -8.205 1.142 1.00 0.00 H new ATOM 0 HA PHE A 22 0.144 -9.570 -0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.124 -6.668 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.050 -7.368 -1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.086 -8.577 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.137 -5.432 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.057 -7.966 0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.832 -4.821 2.708 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.906 -6.095 2.529 1.00 0.00 H new ATOM 318 N ILE A 23 1.551 -10.013 -2.205 1.00 0.00 N ATOM 319 CA ILE A 23 2.435 -10.434 -3.278 1.00 0.00 C ATOM 320 C ILE A 23 1.908 -9.895 -4.609 1.00 0.00 C ATOM 321 O ILE A 23 0.934 -10.416 -5.152 1.00 0.00 O ATOM 322 CB ILE A 23 2.616 -11.953 -3.258 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.155 -12.423 -1.905 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.499 -12.416 -4.419 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.672 -12.243 -1.827 1.00 0.00 C ATOM 0 H ILE A 23 0.623 -10.435 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 23 3.431 -10.015 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 23 1.638 -12.415 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.677 -11.860 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.901 -13.472 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.611 -13.500 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.036 -12.132 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.480 -11.947 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.029 -12.585 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.149 -12.827 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.920 -11.189 -1.955 1.00 0.00 H new ATOM 337 N VAL A 24 2.574 -8.859 -5.098 1.00 0.00 N ATOM 338 CA VAL A 24 2.184 -8.244 -6.355 1.00 0.00 C ATOM 339 C VAL A 24 3.395 -8.191 -7.289 1.00 0.00 C ATOM 340 O VAL A 24 4.533 -8.340 -6.845 1.00 0.00 O ATOM 341 CB VAL A 24 1.569 -6.868 -6.096 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.269 -6.990 -5.298 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.563 -5.947 -5.386 1.00 0.00 C ATOM 0 H VAL A 24 3.381 -8.430 -4.646 1.00 0.00 H new ATOM 0 HA VAL A 24 1.417 -8.840 -6.850 1.00 0.00 H new ATOM 0 HB VAL A 24 1.330 -6.422 -7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.148 -5.997 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.446 -7.593 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.474 -7.467 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.100 -4.975 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.848 -6.387 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.450 -5.821 -6.007 1.00 0.00 H new ATOM 353 N GLY A 25 3.110 -7.979 -8.565 1.00 0.00 N ATOM 354 CA GLY A 25 4.161 -7.905 -9.565 1.00 0.00 C ATOM 355 C GLY A 25 4.958 -6.605 -9.427 1.00 0.00 C ATOM 356 O GLY A 25 4.390 -5.516 -9.487 1.00 0.00 O ATOM 0 H GLY A 25 2.165 -7.856 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.830 -8.759 -9.459 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.724 -7.964 -10.562 1.00 0.00 H new ATOM 360 N ALA A 26 6.261 -6.764 -9.246 1.00 0.00 N ATOM 361 CA ALA A 26 7.141 -5.617 -9.099 1.00 0.00 C ATOM 362 C ALA A 26 6.735 -4.537 -10.103 1.00 0.00 C ATOM 363 O ALA A 26 6.681 -3.356 -9.763 1.00 0.00 O ATOM 364 CB ALA A 26 8.594 -6.062 -9.277 1.00 0.00 C ATOM 0 H ALA A 26 6.728 -7.669 -9.198 1.00 0.00 H new ATOM 0 HA ALA A 26 7.051 -5.190 -8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.254 -5.202 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.841 -6.808 -8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.723 -6.494 -10.269 1.00 0.00 H new ATOM 370 N GLN A 27 6.460 -4.979 -11.322 1.00 0.00 N ATOM 371 CA GLN A 27 6.061 -4.065 -12.378 1.00 0.00 C ATOM 372 C GLN A 27 4.890 -3.197 -11.914 1.00 0.00 C ATOM 373 O GLN A 27 4.887 -1.986 -12.128 1.00 0.00 O ATOM 374 CB GLN A 27 5.707 -4.826 -13.657 1.00 0.00 C ATOM 375 CG GLN A 27 6.964 -5.163 -14.461 1.00 0.00 C ATOM 376 CD GLN A 27 6.627 -6.050 -15.661 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.073 -5.609 -16.655 1.00 0.00 O ATOM 378 NE2 GLN A 27 6.990 -7.321 -15.514 1.00 0.00 N ATOM 0 H GLN A 27 6.506 -5.959 -11.601 1.00 0.00 H new ATOM 0 HA GLN A 27 6.904 -3.412 -12.605 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.177 -5.744 -13.403 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.031 -4.226 -14.266 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.437 -4.243 -14.806 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.685 -5.671 -13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.450 -7.624 -14.656 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.808 -7.993 -16.260 1.00 0.00 H new ATOM 387 N MET A 28 3.922 -3.850 -11.288 1.00 0.00 N ATOM 388 CA MET A 28 2.748 -3.153 -10.792 1.00 0.00 C ATOM 389 C MET A 28 3.121 -1.780 -10.230 1.00 0.00 C ATOM 390 O MET A 28 4.227 -1.592 -9.726 1.00 0.00 O ATOM 391 CB MET A 28 2.083 -3.989 -9.696 1.00 0.00 C ATOM 392 CG MET A 28 0.790 -3.329 -9.211 1.00 0.00 C ATOM 393 SD MET A 28 0.045 -4.317 -7.925 1.00 0.00 S ATOM 394 CE MET A 28 -0.868 -5.484 -8.920 1.00 0.00 C ATOM 0 H MET A 28 3.927 -4.855 -11.113 1.00 0.00 H new ATOM 0 HA MET A 28 2.057 -3.009 -11.623 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.866 -4.987 -10.076 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.770 -4.110 -8.859 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.002 -2.328 -8.835 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.095 -3.217 -10.043 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.397 -6.181 -8.270 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.587 -4.949 -9.540 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.178 -6.036 -9.559 1.00 0.00 H new ATOM 404 N ASN A 29 2.178 -0.856 -10.338 1.00 0.00 N ATOM 405 CA ASN A 29 2.394 0.495 -9.847 1.00 0.00 C ATOM 406 C ASN A 29 1.699 0.659 -8.494 1.00 0.00 C ATOM 407 O ASN A 29 0.908 -0.193 -8.091 1.00 0.00 O ATOM 408 CB ASN A 29 1.808 1.530 -10.808 1.00 0.00 C ATOM 409 CG ASN A 29 0.445 1.078 -11.337 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.261 -0.047 -11.770 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.496 2.016 -11.277 1.00 0.00 N ATOM 0 H ASN A 29 1.262 -1.016 -10.758 1.00 0.00 H new ATOM 0 HA ASN A 29 3.469 0.653 -9.758 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.705 2.488 -10.298 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.492 1.685 -11.642 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.440 1.813 -11.606 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.274 2.938 -10.902 1.00 0.00 H new ATOM 418 N VAL A 30 2.019 1.759 -7.830 1.00 0.00 N ATOM 419 CA VAL A 30 1.435 2.046 -6.530 1.00 0.00 C ATOM 420 C VAL A 30 -0.090 2.049 -6.651 1.00 0.00 C ATOM 421 O VAL A 30 -0.771 1.275 -5.981 1.00 0.00 O ATOM 422 CB VAL A 30 1.995 3.361 -5.983 1.00 0.00 C ATOM 423 CG1 VAL A 30 1.109 3.910 -4.863 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.438 3.186 -5.506 1.00 0.00 C ATOM 0 H VAL A 30 2.675 2.463 -8.167 1.00 0.00 H new ATOM 0 HA VAL A 30 1.702 1.271 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 30 1.997 4.088 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.529 4.845 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.106 4.091 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.060 3.186 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.812 4.135 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.471 2.436 -4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.060 2.862 -6.340 1.00 0.00 H new ATOM 434 N LYS A 31 -0.582 2.929 -7.511 1.00 0.00 N ATOM 435 CA LYS A 31 -2.014 3.044 -7.729 1.00 0.00 C ATOM 436 C LYS A 31 -2.624 1.644 -7.825 1.00 0.00 C ATOM 437 O LYS A 31 -3.526 1.303 -7.062 1.00 0.00 O ATOM 438 CB LYS A 31 -2.302 3.926 -8.945 1.00 0.00 C ATOM 439 CG LYS A 31 -3.665 3.591 -9.554 1.00 0.00 C ATOM 440 CD LYS A 31 -4.339 4.846 -10.112 1.00 0.00 C ATOM 441 CE LYS A 31 -4.532 4.738 -11.626 1.00 0.00 C ATOM 442 NZ LYS A 31 -3.224 4.756 -12.318 1.00 0.00 N ATOM 0 H LYS A 31 -0.014 3.569 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.490 3.542 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.279 4.975 -8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.521 3.787 -9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.541 2.856 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.304 3.137 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.305 4.990 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.733 5.722 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.064 3.818 -11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.149 5.564 -11.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.375 4.716 -13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.715 5.630 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.661 3.934 -12.018 1.00 0.00 H new ATOM 456 N GLU A 32 -2.108 0.872 -8.770 1.00 0.00 N ATOM 457 CA GLU A 32 -2.591 -0.483 -8.976 1.00 0.00 C ATOM 458 C GLU A 32 -2.600 -1.250 -7.652 1.00 0.00 C ATOM 459 O GLU A 32 -3.646 -1.722 -7.211 1.00 0.00 O ATOM 460 CB GLU A 32 -1.750 -1.211 -10.026 1.00 0.00 C ATOM 461 CG GLU A 32 -2.317 -0.992 -11.430 1.00 0.00 C ATOM 462 CD GLU A 32 -1.908 -2.128 -12.370 1.00 0.00 C ATOM 463 OE1 GLU A 32 -0.775 -2.053 -12.892 1.00 0.00 O ATOM 464 OE2 GLU A 32 -2.738 -3.045 -12.546 1.00 0.00 O ATOM 0 H GLU A 32 -1.360 1.159 -9.402 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.613 -0.431 -9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.721 -0.853 -9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.725 -2.277 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.404 -0.929 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.960 -0.041 -11.826 1.00 0.00 H new ATOM 471 N PHE A 33 -1.421 -1.351 -7.055 1.00 0.00 N ATOM 472 CA PHE A 33 -1.280 -2.053 -5.791 1.00 0.00 C ATOM 473 C PHE A 33 -2.431 -1.712 -4.843 1.00 0.00 C ATOM 474 O PHE A 33 -2.957 -2.589 -4.159 1.00 0.00 O ATOM 475 CB PHE A 33 0.036 -1.586 -5.165 1.00 0.00 C ATOM 476 CG PHE A 33 0.429 -2.351 -3.899 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.665 -3.689 -3.959 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.542 -1.693 -2.714 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.029 -4.399 -2.785 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.906 -2.403 -1.540 1.00 0.00 C ATOM 481 CZ PHE A 33 1.142 -3.741 -1.600 1.00 0.00 C ATOM 0 H PHE A 33 -0.555 -0.958 -7.424 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.291 -3.130 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.833 -1.688 -5.901 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.043 -0.525 -4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.575 -4.211 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.355 -0.630 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.216 -5.462 -2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.996 -1.881 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.419 -4.281 -0.707 1.00 0.00 H new ATOM 491 N LYS A 34 -2.789 -0.436 -4.833 1.00 0.00 N ATOM 492 CA LYS A 34 -3.869 0.031 -3.980 1.00 0.00 C ATOM 493 C LYS A 34 -5.161 -0.696 -4.357 1.00 0.00 C ATOM 494 O LYS A 34 -5.915 -1.123 -3.483 1.00 0.00 O ATOM 495 CB LYS A 34 -3.980 1.555 -4.043 1.00 0.00 C ATOM 496 CG LYS A 34 -2.670 2.219 -3.612 1.00 0.00 C ATOM 497 CD LYS A 34 -2.928 3.602 -3.012 1.00 0.00 C ATOM 498 CE LYS A 34 -1.767 4.554 -3.310 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.277 5.894 -3.678 1.00 0.00 N ATOM 0 H LYS A 34 -2.351 0.288 -5.402 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.661 -0.207 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.231 1.863 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.792 1.891 -3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.163 1.590 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.004 2.309 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.853 4.012 -3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.064 3.515 -1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.120 4.632 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.160 4.154 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.477 6.527 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.876 5.817 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.837 6.280 -2.891 1.00 0.00 H new ATOM 513 N GLU A 35 -5.379 -0.814 -5.658 1.00 0.00 N ATOM 514 CA GLU A 35 -6.567 -1.481 -6.161 1.00 0.00 C ATOM 515 C GLU A 35 -6.528 -2.970 -5.812 1.00 0.00 C ATOM 516 O GLU A 35 -7.569 -3.590 -5.604 1.00 0.00 O ATOM 517 CB GLU A 35 -6.714 -1.276 -7.670 1.00 0.00 C ATOM 518 CG GLU A 35 -6.677 0.211 -8.028 1.00 0.00 C ATOM 519 CD GLU A 35 -7.335 0.466 -9.386 1.00 0.00 C ATOM 520 OE1 GLU A 35 -6.953 -0.243 -10.342 1.00 0.00 O ATOM 521 OE2 GLU A 35 -8.204 1.362 -9.436 1.00 0.00 O ATOM 0 H GLU A 35 -4.752 -0.458 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.439 -1.038 -5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.912 -1.799 -8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.653 -1.712 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.190 0.787 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.644 0.558 -8.050 1.00 0.00 H new ATOM 528 N HIS A 36 -5.315 -3.501 -5.758 1.00 0.00 N ATOM 529 CA HIS A 36 -5.126 -4.905 -5.437 1.00 0.00 C ATOM 530 C HIS A 36 -5.445 -5.142 -3.960 1.00 0.00 C ATOM 531 O HIS A 36 -6.315 -5.946 -3.630 1.00 0.00 O ATOM 532 CB HIS A 36 -3.718 -5.366 -5.821 1.00 0.00 C ATOM 533 CG HIS A 36 -3.481 -6.844 -5.624 1.00 0.00 C ATOM 534 ND1 HIS A 36 -4.087 -7.811 -6.407 1.00 0.00 N ATOM 535 CD2 HIS A 36 -2.697 -7.509 -4.728 1.00 0.00 C ATOM 536 CE1 HIS A 36 -3.680 -9.001 -5.991 1.00 0.00 C ATOM 537 NE2 HIS A 36 -2.819 -8.812 -4.950 1.00 0.00 N ATOM 0 H HIS A 36 -4.453 -2.984 -5.931 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.816 -5.511 -6.023 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.537 -5.116 -6.866 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.991 -4.810 -5.230 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.081 -7.053 -3.967 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.978 -9.954 -6.404 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.347 -9.550 -4.428 1.00 0.00 H new ATOM 545 N ILE A 37 -4.724 -4.426 -3.110 1.00 0.00 N ATOM 546 CA ILE A 37 -4.919 -4.548 -1.675 1.00 0.00 C ATOM 547 C ILE A 37 -6.292 -3.985 -1.302 1.00 0.00 C ATOM 548 O ILE A 37 -6.893 -4.408 -0.316 1.00 0.00 O ATOM 549 CB ILE A 37 -3.761 -3.893 -0.919 1.00 0.00 C ATOM 550 CG1 ILE A 37 -3.830 -2.368 -1.023 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.415 -4.440 -1.398 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.095 -1.705 0.143 1.00 0.00 C ATOM 0 H ILE A 37 -4.004 -3.759 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.911 -5.597 -1.378 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.855 -4.148 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.390 -2.044 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.872 -2.047 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.609 -3.958 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.379 -5.516 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.297 -4.236 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.159 -0.621 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.553 -2.012 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.048 -2.009 0.133 1.00 0.00 H new ATOM 564 N ALA A 38 -6.749 -3.040 -2.111 1.00 0.00 N ATOM 565 CA ALA A 38 -8.040 -2.416 -1.878 1.00 0.00 C ATOM 566 C ALA A 38 -9.045 -3.482 -1.438 1.00 0.00 C ATOM 567 O ALA A 38 -9.978 -3.190 -0.691 1.00 0.00 O ATOM 568 CB ALA A 38 -8.487 -1.680 -3.143 1.00 0.00 C ATOM 0 H ALA A 38 -6.248 -2.692 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.971 -1.678 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.456 -1.212 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.754 -0.914 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.570 -2.389 -3.966 1.00 0.00 H new ATOM 574 N ALA A 39 -8.822 -4.696 -1.921 1.00 0.00 N ATOM 575 CA ALA A 39 -9.697 -5.807 -1.587 1.00 0.00 C ATOM 576 C ALA A 39 -9.538 -6.147 -0.104 1.00 0.00 C ATOM 577 O ALA A 39 -10.500 -6.074 0.660 1.00 0.00 O ATOM 578 CB ALA A 39 -9.381 -6.996 -2.496 1.00 0.00 C ATOM 0 H ALA A 39 -8.048 -4.934 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.740 -5.538 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.037 -7.830 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.538 -6.710 -3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.343 -7.296 -2.355 1.00 0.00 H new ATOM 584 N SER A 40 -8.317 -6.511 0.260 1.00 0.00 N ATOM 585 CA SER A 40 -8.021 -6.863 1.638 1.00 0.00 C ATOM 586 C SER A 40 -8.391 -5.704 2.565 1.00 0.00 C ATOM 587 O SER A 40 -9.211 -5.865 3.469 1.00 0.00 O ATOM 588 CB SER A 40 -6.544 -7.227 1.808 1.00 0.00 C ATOM 589 OG SER A 40 -6.249 -8.519 1.284 1.00 0.00 O ATOM 0 H SER A 40 -7.521 -6.570 -0.376 1.00 0.00 H new ATOM 0 HA SER A 40 -8.616 -7.737 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.927 -6.482 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.282 -7.196 2.866 1.00 0.00 H new ATOM 0 HG SER A 40 -5.623 -8.979 1.881 1.00 0.00 H new ATOM 595 N VAL A 41 -7.771 -4.562 2.310 1.00 0.00 N ATOM 596 CA VAL A 41 -8.026 -3.376 3.110 1.00 0.00 C ATOM 597 C VAL A 41 -9.497 -2.979 2.972 1.00 0.00 C ATOM 598 O VAL A 41 -10.074 -2.392 3.886 1.00 0.00 O ATOM 599 CB VAL A 41 -7.063 -2.257 2.709 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.608 -2.687 2.908 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.311 -1.812 1.266 1.00 0.00 C ATOM 0 H VAL A 41 -7.092 -4.432 1.560 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.843 -3.580 4.165 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.251 -1.404 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.945 -1.873 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.441 -2.932 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.400 -3.563 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.614 -1.016 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.164 -2.658 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.333 -1.445 1.169 1.00 0.00 H new ATOM 611 N SER A 42 -10.061 -3.314 1.821 1.00 0.00 N ATOM 612 CA SER A 42 -11.454 -3.000 1.551 1.00 0.00 C ATOM 613 C SER A 42 -11.619 -1.493 1.343 1.00 0.00 C ATOM 614 O SER A 42 -12.733 -0.974 1.393 1.00 0.00 O ATOM 615 CB SER A 42 -12.358 -3.481 2.687 1.00 0.00 C ATOM 616 OG SER A 42 -13.368 -4.372 2.225 1.00 0.00 O ATOM 0 H SER A 42 -9.579 -3.800 1.065 1.00 0.00 H new ATOM 0 HA SER A 42 -11.752 -3.521 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.754 -3.980 3.445 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.825 -2.621 3.167 1.00 0.00 H new ATOM 0 HG SER A 42 -13.923 -4.658 2.981 1.00 0.00 H new ATOM 622 N ILE A 43 -10.493 -0.833 1.113 1.00 0.00 N ATOM 623 CA ILE A 43 -10.499 0.604 0.897 1.00 0.00 C ATOM 624 C ILE A 43 -10.101 0.900 -0.550 1.00 0.00 C ATOM 625 O ILE A 43 -9.211 0.251 -1.098 1.00 0.00 O ATOM 626 CB ILE A 43 -9.618 1.305 1.933 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.153 1.082 3.349 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.465 2.792 1.606 1.00 0.00 C ATOM 629 CD1 ILE A 43 -9.122 1.504 4.398 1.00 0.00 C ATOM 0 H ILE A 43 -9.571 -1.267 1.072 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.502 1.006 1.040 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.623 0.862 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.072 1.651 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.406 0.030 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.834 3.267 2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.005 2.903 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.446 3.267 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.528 1.335 5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.213 0.916 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.890 2.562 4.275 1.00 0.00 H new ATOM 641 N PRO A 44 -10.797 1.906 -1.143 1.00 0.00 N ATOM 642 CA PRO A 44 -10.525 2.296 -2.517 1.00 0.00 C ATOM 643 C PRO A 44 -9.223 3.093 -2.613 1.00 0.00 C ATOM 644 O PRO A 44 -8.863 3.816 -1.684 1.00 0.00 O ATOM 645 CB PRO A 44 -11.744 3.095 -2.948 1.00 0.00 C ATOM 646 CG PRO A 44 -12.441 3.518 -1.664 1.00 0.00 C ATOM 647 CD PRO A 44 -11.857 2.697 -0.526 1.00 0.00 C ATOM 0 HA PRO A 44 -10.373 1.440 -3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.453 3.964 -3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.405 2.493 -3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.293 4.582 -1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.516 3.354 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.464 3.338 0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.613 2.058 -0.070 1.00 0.00 H new ATOM 655 N SER A 45 -8.552 2.935 -3.744 1.00 0.00 N ATOM 656 CA SER A 45 -7.297 3.631 -3.973 1.00 0.00 C ATOM 657 C SER A 45 -7.497 5.139 -3.807 1.00 0.00 C ATOM 658 O SER A 45 -6.552 5.864 -3.500 1.00 0.00 O ATOM 659 CB SER A 45 -6.741 3.320 -5.364 1.00 0.00 C ATOM 660 OG SER A 45 -7.559 3.858 -6.399 1.00 0.00 O ATOM 0 H SER A 45 -8.853 2.335 -4.512 1.00 0.00 H new ATOM 0 HA SER A 45 -6.574 3.283 -3.236 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.733 3.726 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.661 2.240 -5.489 1.00 0.00 H new ATOM 0 HG SER A 45 -7.169 3.639 -7.271 1.00 0.00 H new ATOM 666 N GLU A 46 -8.734 5.566 -4.018 1.00 0.00 N ATOM 667 CA GLU A 46 -9.070 6.974 -3.895 1.00 0.00 C ATOM 668 C GLU A 46 -9.049 7.399 -2.425 1.00 0.00 C ATOM 669 O GLU A 46 -9.043 8.590 -2.119 1.00 0.00 O ATOM 670 CB GLU A 46 -10.429 7.271 -4.532 1.00 0.00 C ATOM 671 CG GLU A 46 -11.569 6.966 -3.559 1.00 0.00 C ATOM 672 CD GLU A 46 -12.926 7.051 -4.261 1.00 0.00 C ATOM 673 OE1 GLU A 46 -13.114 6.283 -5.229 1.00 0.00 O ATOM 674 OE2 GLU A 46 -13.745 7.883 -3.814 1.00 0.00 O ATOM 0 H GLU A 46 -9.515 4.962 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.319 7.554 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.473 8.318 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.549 6.675 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.435 5.970 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.541 7.670 -2.728 1.00 0.00 H new ATOM 681 N LYS A 47 -9.040 6.400 -1.554 1.00 0.00 N ATOM 682 CA LYS A 47 -9.020 6.655 -0.124 1.00 0.00 C ATOM 683 C LYS A 47 -7.660 6.246 0.444 1.00 0.00 C ATOM 684 O LYS A 47 -7.226 6.773 1.468 1.00 0.00 O ATOM 685 CB LYS A 47 -10.204 5.968 0.560 1.00 0.00 C ATOM 686 CG LYS A 47 -11.513 6.700 0.256 1.00 0.00 C ATOM 687 CD LYS A 47 -12.556 6.431 1.343 1.00 0.00 C ATOM 688 CE LYS A 47 -12.864 4.937 1.451 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.042 4.711 2.318 1.00 0.00 N ATOM 0 H LYS A 47 -9.046 5.413 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.141 7.720 0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.274 4.934 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.040 5.940 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.326 7.771 0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.899 6.377 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.191 6.801 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.471 6.979 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.051 4.526 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.000 4.410 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.237 3.691 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.850 5.085 3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.868 5.197 1.915 1.00 0.00 H new ATOM 703 N GLN A 48 -7.024 5.310 -0.245 1.00 0.00 N ATOM 704 CA GLN A 48 -5.722 4.824 0.178 1.00 0.00 C ATOM 705 C GLN A 48 -4.656 5.898 -0.046 1.00 0.00 C ATOM 706 O GLN A 48 -4.831 6.787 -0.877 1.00 0.00 O ATOM 707 CB GLN A 48 -5.357 3.528 -0.549 1.00 0.00 C ATOM 708 CG GLN A 48 -6.272 2.381 -0.118 1.00 0.00 C ATOM 709 CD GLN A 48 -5.697 1.030 -0.549 1.00 0.00 C ATOM 710 OE1 GLN A 48 -4.797 0.484 0.067 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.267 0.522 -1.639 1.00 0.00 N ATOM 0 H GLN A 48 -7.386 4.875 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.768 4.602 1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.437 3.676 -1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.319 3.269 -0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.398 2.398 0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.261 2.516 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.017 1.031 -2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.954 -0.377 -2.006 1.00 0.00 H new ATOM 720 N ARG A 49 -3.574 5.780 0.709 1.00 0.00 N ATOM 721 CA ARG A 49 -2.479 6.729 0.603 1.00 0.00 C ATOM 722 C ARG A 49 -1.207 6.144 1.218 1.00 0.00 C ATOM 723 O ARG A 49 -0.799 6.543 2.308 1.00 0.00 O ATOM 724 CB ARG A 49 -2.820 8.044 1.308 1.00 0.00 C ATOM 725 CG ARG A 49 -1.673 9.048 1.181 1.00 0.00 C ATOM 726 CD ARG A 49 -1.946 10.302 2.014 1.00 0.00 C ATOM 727 NE ARG A 49 -1.126 11.429 1.517 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.780 12.490 2.259 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.182 12.576 3.534 1.00 0.00 N ATOM 730 NH2 ARG A 49 -0.033 13.466 1.724 1.00 0.00 N ATOM 0 H ARG A 49 -3.432 5.041 1.397 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.315 6.929 -0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.728 8.467 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.026 7.853 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.742 8.585 1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.541 9.324 0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.004 10.560 1.961 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.717 10.109 3.062 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.804 11.396 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.752 11.834 3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.918 13.384 4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.272 13.401 0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.231 14.274 2.288 1.00 0.00 H new ATOM 744 N LEU A 50 -0.614 5.207 0.493 1.00 0.00 N ATOM 745 CA LEU A 50 0.604 4.563 0.953 1.00 0.00 C ATOM 746 C LEU A 50 1.639 5.632 1.310 1.00 0.00 C ATOM 747 O LEU A 50 1.878 6.554 0.531 1.00 0.00 O ATOM 748 CB LEU A 50 1.099 3.550 -0.081 1.00 0.00 C ATOM 749 CG LEU A 50 0.075 2.512 -0.547 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.707 1.519 -1.524 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.574 1.809 0.646 1.00 0.00 C ATOM 0 H LEU A 50 -0.955 4.878 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 50 0.411 3.990 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.456 4.097 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.956 3.023 0.337 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.718 3.031 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.042 0.792 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.082 2.055 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.531 1.001 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.297 1.077 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.194 1.304 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.081 2.545 1.270 1.00 0.00 H new ATOM 763 N ILE A 51 2.224 5.474 2.488 1.00 0.00 N ATOM 764 CA ILE A 51 3.227 6.415 2.958 1.00 0.00 C ATOM 765 C ILE A 51 4.390 5.643 3.584 1.00 0.00 C ATOM 766 O ILE A 51 4.186 4.818 4.473 1.00 0.00 O ATOM 767 CB ILE A 51 2.597 7.446 3.896 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.565 8.301 3.158 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.671 8.300 4.572 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.489 8.812 4.119 1.00 0.00 C ATOM 0 H ILE A 51 2.023 4.708 3.131 1.00 0.00 H new ATOM 0 HA ILE A 51 3.635 6.986 2.124 1.00 0.00 H new ATOM 0 HB ILE A 51 2.067 6.912 4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.062 9.145 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.101 7.714 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.196 9.025 5.233 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.334 7.658 5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.249 8.826 3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.232 9.417 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.022 7.965 4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.954 9.419 4.896 1.00 0.00 H new ATOM 782 N TYR A 52 5.586 5.939 3.095 1.00 0.00 N ATOM 783 CA TYR A 52 6.782 5.283 3.595 1.00 0.00 C ATOM 784 C TYR A 52 7.734 6.295 4.236 1.00 0.00 C ATOM 785 O TYR A 52 8.170 7.243 3.584 1.00 0.00 O ATOM 786 CB TYR A 52 7.464 4.661 2.375 1.00 0.00 C ATOM 787 CG TYR A 52 8.492 3.582 2.719 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.562 3.884 3.537 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.350 2.306 2.212 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.530 2.868 3.861 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.318 1.291 2.537 1.00 0.00 C ATOM 792 CZ TYR A 52 10.360 1.622 3.345 1.00 0.00 C ATOM 793 OH TYR A 52 11.274 0.662 3.651 1.00 0.00 O ATOM 0 H TYR A 52 5.752 6.624 2.358 1.00 0.00 H new ATOM 0 HA TYR A 52 6.525 4.543 4.353 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.702 4.229 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.957 5.449 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.673 4.882 3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.513 2.069 1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.372 3.091 4.500 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.219 0.289 2.147 1.00 0.00 H new ATOM 0 HH TYR A 52 11.651 0.840 4.538 1.00 0.00 H new ATOM 803 N GLN A 53 8.030 6.059 5.506 1.00 0.00 N ATOM 804 CA GLN A 53 8.923 6.938 6.242 1.00 0.00 C ATOM 805 C GLN A 53 8.219 8.257 6.568 1.00 0.00 C ATOM 806 O GLN A 53 7.991 8.570 7.736 1.00 0.00 O ATOM 807 CB GLN A 53 10.216 7.184 5.462 1.00 0.00 C ATOM 808 CG GLN A 53 11.414 6.550 6.172 1.00 0.00 C ATOM 809 CD GLN A 53 12.700 7.323 5.873 1.00 0.00 C ATOM 810 OE1 GLN A 53 12.703 8.333 5.190 1.00 0.00 O ATOM 811 NE2 GLN A 53 13.789 6.793 6.422 1.00 0.00 N ATOM 0 H GLN A 53 7.667 5.272 6.044 1.00 0.00 H new ATOM 0 HA GLN A 53 9.191 6.450 7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.123 6.770 4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.380 8.256 5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.237 6.533 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.525 5.514 5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.716 5.945 6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.698 7.235 6.282 1.00 0.00 H new ATOM 820 N GLY A 54 7.896 8.994 5.516 1.00 0.00 N ATOM 821 CA GLY A 54 7.223 10.272 5.676 1.00 0.00 C ATOM 822 C GLY A 54 6.950 10.922 4.318 1.00 0.00 C ATOM 823 O GLY A 54 7.003 12.144 4.189 1.00 0.00 O ATOM 0 H GLY A 54 8.088 8.731 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.284 10.128 6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.837 10.936 6.284 1.00 0.00 H new ATOM 827 N ARG A 55 6.665 10.075 3.340 1.00 0.00 N ATOM 828 CA ARG A 55 6.383 10.552 1.996 1.00 0.00 C ATOM 829 C ARG A 55 5.214 9.773 1.390 1.00 0.00 C ATOM 830 O ARG A 55 5.060 8.580 1.645 1.00 0.00 O ATOM 831 CB ARG A 55 7.609 10.404 1.092 1.00 0.00 C ATOM 832 CG ARG A 55 8.376 11.724 0.988 1.00 0.00 C ATOM 833 CD ARG A 55 9.416 11.667 -0.133 1.00 0.00 C ATOM 834 NE ARG A 55 10.764 11.937 0.414 1.00 0.00 N ATOM 835 CZ ARG A 55 11.796 12.380 -0.317 1.00 0.00 C ATOM 836 NH1 ARG A 55 11.641 12.604 -1.629 1.00 0.00 N ATOM 837 NH2 ARG A 55 12.984 12.597 0.263 1.00 0.00 N ATOM 0 H ARG A 55 6.623 9.062 3.451 1.00 0.00 H new ATOM 0 HA ARG A 55 6.122 11.608 2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.265 9.628 1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.296 10.082 0.099 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.678 12.540 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.869 11.938 1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.397 10.686 -0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.173 12.399 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 55 10.917 11.776 1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.737 12.437 -2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.427 12.941 -2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.103 12.425 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.769 12.934 -0.294 1.00 0.00 H new ATOM 851 N VAL A 56 4.420 10.480 0.600 1.00 0.00 N ATOM 852 CA VAL A 56 3.269 9.870 -0.044 1.00 0.00 C ATOM 853 C VAL A 56 3.718 9.184 -1.336 1.00 0.00 C ATOM 854 O VAL A 56 4.057 9.851 -2.312 1.00 0.00 O ATOM 855 CB VAL A 56 2.179 10.919 -0.272 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.602 11.925 -1.344 1.00 0.00 C ATOM 857 CG2 VAL A 56 0.848 10.257 -0.635 1.00 0.00 C ATOM 0 H VAL A 56 4.551 11.470 0.391 1.00 0.00 H new ATOM 0 HA VAL A 56 2.834 9.104 0.598 1.00 0.00 H new ATOM 0 HB VAL A 56 2.038 11.464 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.809 12.660 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.514 12.432 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.785 11.401 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.090 11.025 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.969 9.674 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.536 9.599 0.176 1.00 0.00 H new ATOM 867 N LEU A 57 3.704 7.859 -1.301 1.00 0.00 N ATOM 868 CA LEU A 57 4.105 7.076 -2.457 1.00 0.00 C ATOM 869 C LEU A 57 3.230 7.455 -3.653 1.00 0.00 C ATOM 870 O LEU A 57 2.016 7.258 -3.626 1.00 0.00 O ATOM 871 CB LEU A 57 4.081 5.582 -2.126 1.00 0.00 C ATOM 872 CG LEU A 57 4.956 5.141 -0.951 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.374 3.901 -0.269 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.404 4.925 -1.395 1.00 0.00 C ATOM 0 H LEU A 57 3.421 7.309 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 57 5.135 7.302 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.051 5.293 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.392 5.029 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 57 4.963 5.942 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.015 3.609 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.375 4.126 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.317 3.084 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.004 4.612 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.438 4.153 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.804 5.856 -1.798 1.00 0.00 H new ATOM 886 N GLN A 58 3.880 7.992 -4.675 1.00 0.00 N ATOM 887 CA GLN A 58 3.176 8.400 -5.879 1.00 0.00 C ATOM 888 C GLN A 58 2.425 7.212 -6.484 1.00 0.00 C ATOM 889 O GLN A 58 2.699 6.062 -6.144 1.00 0.00 O ATOM 890 CB GLN A 58 4.140 9.015 -6.896 1.00 0.00 C ATOM 891 CG GLN A 58 4.051 10.542 -6.882 1.00 0.00 C ATOM 892 CD GLN A 58 4.114 11.082 -5.452 1.00 0.00 C ATOM 893 OE1 GLN A 58 4.958 10.706 -4.655 1.00 0.00 O ATOM 894 NE2 GLN A 58 3.176 11.983 -5.173 1.00 0.00 N ATOM 0 H GLN A 58 4.887 8.154 -4.694 1.00 0.00 H new ATOM 0 HA GLN A 58 2.448 9.165 -5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.160 8.705 -6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.908 8.643 -7.894 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.867 10.963 -7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.121 10.860 -7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.500 12.253 -5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.133 12.404 -4.245 1.00 0.00 H new ATOM 903 N ASP A 59 1.493 7.531 -7.369 1.00 0.00 N ATOM 904 CA ASP A 59 0.701 6.504 -8.024 1.00 0.00 C ATOM 905 C ASP A 59 1.474 5.959 -9.226 1.00 0.00 C ATOM 906 O ASP A 59 1.760 4.764 -9.295 1.00 0.00 O ATOM 907 CB ASP A 59 -0.625 7.073 -8.534 1.00 0.00 C ATOM 908 CG ASP A 59 -0.539 8.480 -9.129 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.684 9.439 -8.341 1.00 0.00 O ATOM 910 OD2 ASP A 59 -0.331 8.564 -10.359 1.00 0.00 O ATOM 0 H ASP A 59 1.268 8.486 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 59 0.501 5.718 -7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.025 6.399 -9.291 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.338 7.086 -7.710 1.00 0.00 H new ATOM 915 N ASP A 60 1.791 6.860 -10.144 1.00 0.00 N ATOM 916 CA ASP A 60 2.526 6.484 -11.340 1.00 0.00 C ATOM 917 C ASP A 60 3.758 5.670 -10.941 1.00 0.00 C ATOM 918 O ASP A 60 4.236 4.841 -11.714 1.00 0.00 O ATOM 919 CB ASP A 60 3.003 7.720 -12.105 1.00 0.00 C ATOM 920 CG ASP A 60 2.023 8.251 -13.153 1.00 0.00 C ATOM 921 OD1 ASP A 60 0.957 8.750 -12.731 1.00 0.00 O ATOM 922 OD2 ASP A 60 2.361 8.145 -14.351 1.00 0.00 O ATOM 0 H ASP A 60 1.552 7.850 -10.084 1.00 0.00 H new ATOM 0 HA ASP A 60 1.860 5.902 -11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.210 8.515 -11.388 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.945 7.482 -12.598 1.00 0.00 H new ATOM 927 N LYS A 61 4.238 5.935 -9.735 1.00 0.00 N ATOM 928 CA LYS A 61 5.406 5.237 -9.224 1.00 0.00 C ATOM 929 C LYS A 61 5.056 3.765 -8.995 1.00 0.00 C ATOM 930 O LYS A 61 3.882 3.398 -8.982 1.00 0.00 O ATOM 931 CB LYS A 61 5.948 5.941 -7.979 1.00 0.00 C ATOM 932 CG LYS A 61 7.132 6.844 -8.331 1.00 0.00 C ATOM 933 CD LYS A 61 8.459 6.180 -7.959 1.00 0.00 C ATOM 934 CE LYS A 61 9.564 7.223 -7.784 1.00 0.00 C ATOM 935 NZ LYS A 61 9.820 7.472 -6.348 1.00 0.00 N ATOM 0 H LYS A 61 3.839 6.623 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 61 6.215 5.263 -9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.158 6.534 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.258 5.199 -7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.119 7.066 -9.398 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.037 7.795 -7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.340 5.613 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.744 5.469 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.478 6.878 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.275 8.153 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.861 8.497 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.054 7.055 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.726 7.039 -6.077 1.00 0.00 H new ATOM 949 N LYS A 62 6.095 2.963 -8.821 1.00 0.00 N ATOM 950 CA LYS A 62 5.912 1.539 -8.593 1.00 0.00 C ATOM 951 C LYS A 62 6.536 1.158 -7.250 1.00 0.00 C ATOM 952 O LYS A 62 7.446 1.832 -6.770 1.00 0.00 O ATOM 953 CB LYS A 62 6.456 0.734 -9.775 1.00 0.00 C ATOM 954 CG LYS A 62 6.053 1.373 -11.106 1.00 0.00 C ATOM 955 CD LYS A 62 6.724 0.660 -12.281 1.00 0.00 C ATOM 956 CE LYS A 62 5.803 0.629 -13.502 1.00 0.00 C ATOM 957 NZ LYS A 62 6.596 0.538 -14.748 1.00 0.00 N ATOM 0 H LYS A 62 7.067 3.271 -8.833 1.00 0.00 H new ATOM 0 HA LYS A 62 4.851 1.295 -8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.542 0.675 -9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.078 -0.287 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.970 1.331 -11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.333 2.426 -11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.654 1.168 -12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.985 -0.358 -11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.126 -0.222 -13.432 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.186 1.527 -13.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.955 0.518 -15.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.225 1.363 -14.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.166 -0.331 -14.734 1.00 0.00 H new ATOM 971 N LEU A 63 6.023 0.077 -6.680 1.00 0.00 N ATOM 972 CA LEU A 63 6.519 -0.402 -5.402 1.00 0.00 C ATOM 973 C LEU A 63 8.023 -0.659 -5.507 1.00 0.00 C ATOM 974 O LEU A 63 8.811 -0.059 -4.777 1.00 0.00 O ATOM 975 CB LEU A 63 5.718 -1.621 -4.939 1.00 0.00 C ATOM 976 CG LEU A 63 4.233 -1.627 -5.307 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.673 -0.204 -5.348 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.996 -2.374 -6.621 1.00 0.00 C ATOM 0 H LEU A 63 5.269 -0.480 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 63 6.378 0.355 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.180 -2.515 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.804 -1.697 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 63 3.691 -2.165 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.616 -0.236 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.788 0.261 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.215 0.379 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.932 -2.363 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.552 -1.887 -7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.335 -3.405 -6.520 1.00 0.00 H new ATOM 990 N GLN A 64 8.377 -1.552 -6.420 1.00 0.00 N ATOM 991 CA GLN A 64 9.773 -1.895 -6.630 1.00 0.00 C ATOM 992 C GLN A 64 10.640 -0.635 -6.600 1.00 0.00 C ATOM 993 O GLN A 64 11.628 -0.573 -5.870 1.00 0.00 O ATOM 994 CB GLN A 64 9.958 -2.657 -7.943 1.00 0.00 C ATOM 995 CG GLN A 64 11.369 -3.240 -8.044 1.00 0.00 C ATOM 996 CD GLN A 64 11.716 -3.591 -9.493 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.276 -4.589 -10.040 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.526 -2.716 -10.082 1.00 0.00 N ATOM 0 H GLN A 64 7.721 -2.048 -7.023 1.00 0.00 H new ATOM 0 HA GLN A 64 10.092 -2.550 -5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.223 -3.460 -8.008 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.776 -1.989 -8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.092 -2.521 -7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.443 -4.132 -7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.858 -1.901 -9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.815 -2.860 -11.049 1.00 0.00 H new ATOM 1007 N GLU A 65 10.238 0.340 -7.403 1.00 0.00 N ATOM 1008 CA GLU A 65 10.966 1.595 -7.478 1.00 0.00 C ATOM 1009 C GLU A 65 11.390 2.048 -6.079 1.00 0.00 C ATOM 1010 O GLU A 65 12.571 2.285 -5.830 1.00 0.00 O ATOM 1011 CB GLU A 65 10.131 2.673 -8.173 1.00 0.00 C ATOM 1012 CG GLU A 65 10.824 3.168 -9.444 1.00 0.00 C ATOM 1013 CD GLU A 65 11.812 4.293 -9.127 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.276 4.331 -7.967 1.00 0.00 O ATOM 1015 OE2 GLU A 65 12.080 5.090 -10.052 1.00 0.00 O ATOM 0 H GLU A 65 9.418 0.286 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 65 11.864 1.436 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.148 2.272 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.971 3.509 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.350 2.341 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.078 3.524 -10.154 1.00 0.00 H new ATOM 1022 N TYR A 66 10.403 2.154 -5.202 1.00 0.00 N ATOM 1023 CA TYR A 66 10.658 2.573 -3.834 1.00 0.00 C ATOM 1024 C TYR A 66 11.484 1.526 -3.085 1.00 0.00 C ATOM 1025 O TYR A 66 12.197 1.854 -2.138 1.00 0.00 O ATOM 1026 CB TYR A 66 9.287 2.697 -3.168 1.00 0.00 C ATOM 1027 CG TYR A 66 8.514 3.957 -3.563 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.951 5.195 -3.140 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.379 3.854 -4.341 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.224 6.381 -3.512 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.651 5.040 -4.713 1.00 0.00 C ATOM 1032 CZ TYR A 66 7.110 6.245 -4.280 1.00 0.00 C ATOM 1033 OH TYR A 66 6.422 7.365 -4.631 1.00 0.00 O ATOM 0 H TYR A 66 9.425 1.957 -5.412 1.00 0.00 H new ATOM 0 HA TYR A 66 11.216 3.509 -3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.690 1.822 -3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.418 2.688 -2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.838 5.275 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.037 2.884 -4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.556 7.356 -3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.761 4.974 -5.322 1.00 0.00 H new ATOM 0 HH TYR A 66 6.660 7.622 -5.546 1.00 0.00 H new ATOM 1043 N ASN A 67 11.360 0.287 -3.537 1.00 0.00 N ATOM 1044 CA ASN A 67 12.086 -0.811 -2.921 1.00 0.00 C ATOM 1045 C ASN A 67 11.394 -1.205 -1.615 1.00 0.00 C ATOM 1046 O ASN A 67 12.056 -1.454 -0.608 1.00 0.00 O ATOM 1047 CB ASN A 67 13.524 -0.403 -2.590 1.00 0.00 C ATOM 1048 CG ASN A 67 14.512 -1.497 -3.002 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.506 -2.601 -2.485 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.358 -1.128 -3.959 1.00 0.00 N ATOM 0 H ASN A 67 10.768 0.019 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 67 12.100 -1.643 -3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.770 0.526 -3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.614 -0.210 -1.521 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.057 -1.786 -4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.308 -0.187 -4.349 1.00 0.00 H new ATOM 1057 N VAL A 68 10.071 -1.248 -1.673 1.00 0.00 N ATOM 1058 CA VAL A 68 9.283 -1.608 -0.507 1.00 0.00 C ATOM 1059 C VAL A 68 9.092 -3.125 -0.473 1.00 0.00 C ATOM 1060 O VAL A 68 8.242 -3.632 0.258 1.00 0.00 O ATOM 1061 CB VAL A 68 7.959 -0.839 -0.513 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.203 0.671 -0.503 1.00 0.00 C ATOM 1063 CG2 VAL A 68 7.093 -1.248 -1.706 1.00 0.00 C ATOM 0 H VAL A 68 9.525 -1.040 -2.509 1.00 0.00 H new ATOM 0 HA VAL A 68 9.804 -1.326 0.408 1.00 0.00 H new ATOM 0 HB VAL A 68 7.417 -1.096 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.247 1.194 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.761 0.943 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.775 0.953 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.159 -0.687 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.626 -1.034 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.877 -2.315 -1.650 1.00 0.00 H new ATOM 1073 N GLY A 69 9.897 -3.809 -1.273 1.00 0.00 N ATOM 1074 CA GLY A 69 9.828 -5.258 -1.345 1.00 0.00 C ATOM 1075 C GLY A 69 10.076 -5.887 0.028 1.00 0.00 C ATOM 1076 O GLY A 69 11.163 -5.755 0.588 1.00 0.00 O ATOM 0 H GLY A 69 10.601 -3.385 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.849 -5.561 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.567 -5.626 -2.057 1.00 0.00 H new ATOM 1080 N GLY A 70 9.049 -6.557 0.530 1.00 0.00 N ATOM 1081 CA GLY A 70 9.142 -7.207 1.827 1.00 0.00 C ATOM 1082 C GLY A 70 9.292 -6.176 2.947 1.00 0.00 C ATOM 1083 O GLY A 70 9.560 -6.534 4.093 1.00 0.00 O ATOM 0 H GLY A 70 8.149 -6.664 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.251 -7.810 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.994 -7.887 1.837 1.00 0.00 H new ATOM 1087 N LYS A 71 9.112 -4.916 2.577 1.00 0.00 N ATOM 1088 CA LYS A 71 9.224 -3.831 3.536 1.00 0.00 C ATOM 1089 C LYS A 71 7.855 -3.571 4.168 1.00 0.00 C ATOM 1090 O LYS A 71 6.864 -4.191 3.786 1.00 0.00 O ATOM 1091 CB LYS A 71 9.843 -2.596 2.878 1.00 0.00 C ATOM 1092 CG LYS A 71 11.298 -2.855 2.484 1.00 0.00 C ATOM 1093 CD LYS A 71 12.236 -2.636 3.674 1.00 0.00 C ATOM 1094 CE LYS A 71 13.664 -3.065 3.332 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.639 -2.342 4.179 1.00 0.00 N ATOM 0 H LYS A 71 8.889 -4.623 1.626 1.00 0.00 H new ATOM 0 HA LYS A 71 9.901 -4.106 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.266 -2.323 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.793 -1.751 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.403 -3.876 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.581 -2.192 1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.227 -1.584 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.878 -3.203 4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.772 -4.140 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.868 -2.865 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.603 -2.645 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.546 -1.319 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.453 -2.554 5.180 1.00 0.00 H new ATOM 1109 N VAL A 72 7.845 -2.653 5.123 1.00 0.00 N ATOM 1110 CA VAL A 72 6.614 -2.303 5.812 1.00 0.00 C ATOM 1111 C VAL A 72 6.247 -0.854 5.487 1.00 0.00 C ATOM 1112 O VAL A 72 6.995 0.067 5.812 1.00 0.00 O ATOM 1113 CB VAL A 72 6.762 -2.561 7.312 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.627 -1.900 8.097 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.832 -4.060 7.607 1.00 0.00 C ATOM 0 H VAL A 72 8.670 -2.141 5.436 1.00 0.00 H new ATOM 0 HA VAL A 72 5.792 -2.931 5.468 1.00 0.00 H new ATOM 0 HB VAL A 72 7.700 -2.112 7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.756 -2.099 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.644 -0.824 7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.671 -2.306 7.766 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.937 -4.215 8.681 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.919 -4.542 7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.690 -4.492 7.092 1.00 0.00 H new ATOM 1125 N ILE A 73 5.096 -0.696 4.850 1.00 0.00 N ATOM 1126 CA ILE A 73 4.622 0.625 4.477 1.00 0.00 C ATOM 1127 C ILE A 73 3.618 1.115 5.523 1.00 0.00 C ATOM 1128 O ILE A 73 3.256 0.375 6.436 1.00 0.00 O ATOM 1129 CB ILE A 73 4.068 0.614 3.051 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.875 -0.330 2.157 1.00 0.00 C ATOM 1131 CG2 ILE A 73 4.002 2.031 2.477 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.206 -0.497 0.791 1.00 0.00 C ATOM 0 H ILE A 73 4.478 -1.462 4.583 1.00 0.00 H new ATOM 0 HA ILE A 73 5.447 1.337 4.467 1.00 0.00 H new ATOM 0 HB ILE A 73 3.047 0.233 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.884 0.061 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.970 -1.302 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.605 1.995 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.352 2.646 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.002 2.463 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.800 -1.173 0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.206 -0.911 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.135 0.473 0.300 1.00 0.00 H new ATOM 1144 N HIS A 74 3.195 2.359 5.354 1.00 0.00 N ATOM 1145 CA HIS A 74 2.240 2.957 6.272 1.00 0.00 C ATOM 1146 C HIS A 74 1.072 3.550 5.482 1.00 0.00 C ATOM 1147 O HIS A 74 1.131 4.700 5.049 1.00 0.00 O ATOM 1148 CB HIS A 74 2.925 3.982 7.178 1.00 0.00 C ATOM 1149 CG HIS A 74 3.819 3.371 8.231 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.341 2.912 9.446 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.164 3.147 8.237 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.361 2.437 10.145 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.490 2.584 9.394 1.00 0.00 N ATOM 0 H HIS A 74 3.496 2.970 4.595 1.00 0.00 H new ATOM 0 HA HIS A 74 1.835 2.190 6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.517 4.658 6.561 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.161 4.585 7.670 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.848 3.387 7.436 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.308 2.009 11.135 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.430 2.307 9.675 1.00 0.00 H new ATOM 1161 N LEU A 75 0.037 2.739 5.319 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.143 3.170 4.589 1.00 0.00 C ATOM 1163 C LEU A 75 -2.055 3.965 5.525 1.00 0.00 C ATOM 1164 O LEU A 75 -2.038 3.757 6.738 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.832 1.973 3.930 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.342 2.099 3.723 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.659 3.016 2.540 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -3.991 0.722 3.570 1.00 0.00 C ATOM 0 H LEU A 75 -0.009 1.786 5.680 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.863 3.837 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.366 1.799 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.641 1.089 4.538 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.771 2.561 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.739 3.088 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.248 4.008 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.215 2.606 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.065 0.840 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.562 0.211 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.810 0.132 4.469 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.830 4.858 4.928 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.747 5.685 5.694 1.00 0.00 C ATOM 1182 C VAL A 76 -5.040 5.875 4.899 1.00 0.00 C ATOM 1183 O VAL A 76 -5.009 6.003 3.676 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.073 7.008 6.064 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.867 6.773 6.975 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.670 7.788 4.811 1.00 0.00 C ATOM 0 H VAL A 76 -2.842 5.027 3.922 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.011 5.196 6.632 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.796 7.610 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.406 7.729 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.193 6.279 7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.141 6.143 6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.193 8.724 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.972 7.194 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.557 8.003 4.215 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.148 5.887 5.627 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.450 6.059 5.005 1.00 0.00 C ATOM 1198 C GLU A 77 -8.072 7.389 5.436 1.00 0.00 C ATOM 1199 O GLU A 77 -8.066 7.727 6.618 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.375 4.887 5.338 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.758 5.086 4.714 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.857 4.552 5.635 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.984 5.106 6.748 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.545 3.601 5.205 1.00 0.00 O ATOM 0 H GLU A 77 -6.170 5.780 6.641 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.316 6.077 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.937 3.958 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.470 4.790 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.924 6.146 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.804 4.575 3.752 1.00 0.00 H new ATOM 1211 N ARG A 78 -8.594 8.107 4.452 1.00 0.00 N ATOM 1212 CA ARG A 78 -9.219 9.392 4.714 1.00 0.00 C ATOM 1213 C ARG A 78 -10.544 9.197 5.455 1.00 0.00 C ATOM 1214 O ARG A 78 -11.372 8.382 5.049 1.00 0.00 O ATOM 1215 CB ARG A 78 -9.477 10.155 3.413 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.503 11.324 3.261 1.00 0.00 C ATOM 1217 CD ARG A 78 -7.997 11.432 1.821 1.00 0.00 C ATOM 1218 NE ARG A 78 -8.428 12.717 1.228 1.00 0.00 N ATOM 1219 CZ ARG A 78 -9.641 12.932 0.700 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -10.550 11.948 0.689 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -9.944 14.131 0.184 1.00 0.00 N ATOM 0 H ARG A 78 -8.597 7.823 3.472 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.535 9.973 5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.374 9.479 2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.502 10.527 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.996 12.253 3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.659 11.189 3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.910 11.360 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.381 10.602 1.229 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.760 13.488 1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.319 11.036 1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.473 12.111 0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.252 14.880 0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.867 14.295 -0.218 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.704 9.958 6.527 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.914 9.879 7.328 1.00 0.00 C ATOM 1237 C ALA A 79 -12.851 11.025 6.942 1.00 0.00 C ATOM 1238 O ALA A 79 -12.505 12.195 7.100 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.546 9.901 8.813 1.00 0.00 C ATOM 0 H ALA A 79 -10.016 10.633 6.860 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.441 8.944 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.454 9.842 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.904 9.051 9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.018 10.826 9.043 1.00 0.00 H new ATOM 1245 N PRO A 80 -14.051 10.639 6.431 1.00 0.00 N ATOM 1246 CA PRO A 80 -15.040 11.621 6.021 1.00 0.00 C ATOM 1247 C PRO A 80 -15.722 12.252 7.237 1.00 0.00 C ATOM 1248 O PRO A 80 -16.900 12.004 7.491 1.00 0.00 O ATOM 1249 CB PRO A 80 -16.005 10.858 5.129 1.00 0.00 C ATOM 1250 CG PRO A 80 -15.790 9.387 5.443 1.00 0.00 C ATOM 1251 CD PRO A 80 -14.495 9.263 6.230 1.00 0.00 C ATOM 0 HA PRO A 80 -14.601 12.461 5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.036 11.153 5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.811 11.065 4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.627 8.994 6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.735 8.804 4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.657 8.756 7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -13.752 8.683 5.682 1.00 0.00 H new ATOM 1259 N SER A 81 -14.953 13.056 7.956 1.00 0.00 N ATOM 1260 CA SER A 81 -15.468 13.724 9.139 1.00 0.00 C ATOM 1261 C SER A 81 -14.345 14.498 9.833 1.00 0.00 C ATOM 1262 O SER A 81 -13.171 14.167 9.679 1.00 0.00 O ATOM 1263 CB SER A 81 -16.099 12.722 10.107 1.00 0.00 C ATOM 1264 OG SER A 81 -17.410 13.115 10.504 1.00 0.00 O ATOM 0 H SER A 81 -13.977 13.260 7.742 1.00 0.00 H new ATOM 0 HA SER A 81 -16.244 14.423 8.827 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.142 11.740 9.635 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.467 12.624 10.990 1.00 0.00 H new ATOM 0 HG SER A 81 -17.779 12.448 11.120 1.00 0.00 H new ATOM 1270 N GLY A 82 -14.746 15.514 10.583 1.00 0.00 N ATOM 1271 CA GLY A 82 -13.789 16.338 11.301 1.00 0.00 C ATOM 1272 C GLY A 82 -14.008 17.822 11.001 1.00 0.00 C ATOM 1273 O GLY A 82 -14.618 18.536 11.795 1.00 0.00 O ATOM 0 H GLY A 82 -15.721 15.785 10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.884 16.162 12.372 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.775 16.052 11.020 1.00 0.00 H new ATOM 1277 N PRO A 83 -13.485 18.253 9.822 1.00 0.00 N ATOM 1278 CA PRO A 83 -13.617 19.639 9.406 1.00 0.00 C ATOM 1279 C PRO A 83 -15.039 19.933 8.923 1.00 0.00 C ATOM 1280 O PRO A 83 -15.253 20.208 7.743 1.00 0.00 O ATOM 1281 CB PRO A 83 -12.570 19.826 8.321 1.00 0.00 C ATOM 1282 CG PRO A 83 -12.210 18.429 7.844 1.00 0.00 C ATOM 1283 CD PRO A 83 -12.756 17.435 8.856 1.00 0.00 C ATOM 0 HA PRO A 83 -13.453 20.341 10.223 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -12.960 20.430 7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.693 20.344 8.709 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.634 18.241 6.858 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.129 18.324 7.751 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.411 16.705 8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.952 16.877 9.336 1.00 0.00 H new ATOM 1291 N SER A 84 -15.974 19.865 9.859 1.00 0.00 N ATOM 1292 CA SER A 84 -17.369 20.120 9.543 1.00 0.00 C ATOM 1293 C SER A 84 -18.177 20.279 10.833 1.00 0.00 C ATOM 1294 O SER A 84 -17.737 19.856 11.901 1.00 0.00 O ATOM 1295 CB SER A 84 -17.954 18.997 8.685 1.00 0.00 C ATOM 1296 OG SER A 84 -18.943 19.478 7.778 1.00 0.00 O ATOM 0 H SER A 84 -15.793 19.637 10.837 1.00 0.00 H new ATOM 0 HA SER A 84 -17.426 21.045 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 84 -17.153 18.514 8.125 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.394 18.238 9.332 1.00 0.00 H new ATOM 0 HG SER A 84 -19.291 18.731 7.247 1.00 0.00 H new ATOM 1302 N SER A 85 -19.345 20.889 10.691 1.00 0.00 N ATOM 1303 CA SER A 85 -20.218 21.108 11.831 1.00 0.00 C ATOM 1304 C SER A 85 -20.274 19.848 12.697 1.00 0.00 C ATOM 1305 O SER A 85 -20.300 18.734 12.177 1.00 0.00 O ATOM 1306 CB SER A 85 -21.625 21.505 11.379 1.00 0.00 C ATOM 1307 OG SER A 85 -22.325 22.230 12.387 1.00 0.00 O ATOM 0 H SER A 85 -19.707 21.238 9.804 1.00 0.00 H new ATOM 0 HA SER A 85 -19.810 21.929 12.421 1.00 0.00 H new ATOM 0 HB2 SER A 85 -21.558 22.112 10.476 1.00 0.00 H new ATOM 0 HB3 SER A 85 -22.189 20.609 11.119 1.00 0.00 H new ATOM 0 HG SER A 85 -23.218 22.467 12.059 1.00 0.00 H new ATOM 1313 N GLY A 86 -20.292 20.067 14.004 1.00 0.00 N ATOM 1314 CA GLY A 86 -20.345 18.963 14.947 1.00 0.00 C ATOM 1315 C GLY A 86 -20.562 19.471 16.374 1.00 0.00 C ATOM 1316 O GLY A 86 -21.308 20.424 16.590 1.00 0.00 O ATOM 0 H GLY A 86 -20.271 20.993 14.432 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.152 18.284 14.672 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.417 18.393 14.897 1.00 0.00 H new TER 1320 GLY A 86