USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 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 Set 1.1: A 40 SER OG : rot 115:sc= 0.891 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 172:sc= 1.03 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 28 MET CE :methyl 173:sc= 0 (180deg=-0.014) USER MOD Single : A 30 GLN : amide:sc= -0.824 X(o=-0.82,f=-0.68) USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= 1.42 (180deg=0.496) USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.21) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 133:sc= 0.216 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 138:sc= 1.18 (180deg=0.831) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 73 HIS : no HD1:sc= 0.743 K(o=2.1,f=-9.2!) USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 2.36 (180deg=2.19) USER MOD Single : A 79 HIS : no HE2:sc= 0.704 K(o=0.7,f=-4.7!) USER MOD Single : A 82 ASN : amide:sc= -1.38! K(o=-1.4!,f=-0.022) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot -4:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -16.019 12.485 -8.207 1.00 0.00 N ATOM 2 CA GLY A 25 -15.283 11.230 -7.924 1.00 0.00 C ATOM 3 C GLY A 25 -14.621 11.249 -6.564 1.00 0.00 C ATOM 4 O GLY A 25 -13.405 11.086 -6.450 1.00 0.00 O ATOM 0 HA2 GLY A 25 -15.972 10.387 -7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.526 11.074 -8.692 1.00 0.00 H new ATOM 10 N SER A 26 -15.419 11.459 -5.532 1.00 0.00 N ATOM 11 CA SER A 26 -14.926 11.458 -4.167 1.00 0.00 C ATOM 12 C SER A 26 -15.788 10.542 -3.304 1.00 0.00 C ATOM 13 O SER A 26 -16.485 9.670 -3.830 1.00 0.00 O ATOM 14 CB SER A 26 -14.923 12.887 -3.616 1.00 0.00 C ATOM 15 OG SER A 26 -16.162 13.535 -3.860 1.00 0.00 O ATOM 0 H SER A 26 -16.420 11.634 -5.616 1.00 0.00 H new ATOM 0 HA SER A 26 -13.904 11.081 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.726 12.866 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.115 13.456 -4.077 1.00 0.00 H new ATOM 0 HG SER A 26 -16.133 14.445 -3.496 1.00 0.00 H new ATOM 21 N HIS A 27 -15.733 10.739 -1.986 1.00 0.00 N ATOM 22 CA HIS A 27 -16.503 9.935 -1.040 1.00 0.00 C ATOM 23 C HIS A 27 -16.110 8.467 -1.168 1.00 0.00 C ATOM 24 O HIS A 27 -16.886 7.635 -1.635 1.00 0.00 O ATOM 25 CB HIS A 27 -18.012 10.125 -1.271 1.00 0.00 C ATOM 26 CG HIS A 27 -18.880 9.505 -0.217 1.00 0.00 C ATOM 27 ND1 HIS A 27 -19.496 8.280 -0.368 1.00 0.00 N ATOM 28 CD2 HIS A 27 -19.247 9.958 1.005 1.00 0.00 C ATOM 29 CE1 HIS A 27 -20.205 8.010 0.712 1.00 0.00 C ATOM 30 NE2 HIS A 27 -20.069 9.011 1.559 1.00 0.00 N ATOM 0 H HIS A 27 -15.156 11.457 -1.547 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.278 10.267 -0.027 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -18.228 11.192 -1.322 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.276 9.700 -2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -18.948 10.891 1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.796 7.121 0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.505 9.071 2.479 1.00 0.00 H new ATOM 39 N MET A 28 -14.888 8.156 -0.766 1.00 0.00 N ATOM 40 CA MET A 28 -14.378 6.801 -0.880 1.00 0.00 C ATOM 41 C MET A 28 -13.765 6.349 0.440 1.00 0.00 C ATOM 42 O MET A 28 -12.543 6.317 0.590 1.00 0.00 O ATOM 43 CB MET A 28 -13.334 6.709 -1.999 1.00 0.00 C ATOM 44 CG MET A 28 -13.861 7.090 -3.372 1.00 0.00 C ATOM 45 SD MET A 28 -12.598 6.979 -4.653 1.00 0.00 S ATOM 46 CE MET A 28 -13.501 7.597 -6.071 1.00 0.00 C ATOM 0 H MET A 28 -14.233 8.823 -0.359 1.00 0.00 H new ATOM 0 HA MET A 28 -15.212 6.144 -1.125 1.00 0.00 H new ATOM 0 HB2 MET A 28 -12.494 7.358 -1.751 1.00 0.00 H new ATOM 0 HB3 MET A 28 -12.949 5.690 -2.039 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.695 6.438 -3.631 1.00 0.00 H new ATOM 0 HG3 MET A 28 -14.251 8.107 -3.338 1.00 0.00 H new ATOM 0 HE1 MET A 28 -12.821 7.708 -6.916 1.00 0.00 H new ATOM 0 HE2 MET A 28 -14.293 6.895 -6.332 1.00 0.00 H new ATOM 0 HE3 MET A 28 -13.940 8.565 -5.829 1.00 0.00 H new ATOM 56 N PRO A 29 -14.607 5.997 1.425 1.00 0.00 N ATOM 57 CA PRO A 29 -14.143 5.489 2.717 1.00 0.00 C ATOM 58 C PRO A 29 -13.501 4.120 2.568 1.00 0.00 C ATOM 59 O PRO A 29 -12.644 3.728 3.362 1.00 0.00 O ATOM 60 CB PRO A 29 -15.421 5.396 3.565 1.00 0.00 C ATOM 61 CG PRO A 29 -16.460 6.154 2.810 1.00 0.00 C ATOM 62 CD PRO A 29 -16.073 6.064 1.365 1.00 0.00 C ATOM 0 HA PRO A 29 -13.384 6.131 3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -15.721 4.358 3.709 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -15.266 5.824 4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -17.450 5.729 2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -16.500 7.193 3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -16.499 5.182 0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -16.416 6.931 0.800 1.00 0.00 H new ATOM 70 N GLN A 30 -13.903 3.410 1.518 1.00 0.00 N ATOM 71 CA GLN A 30 -13.390 2.074 1.258 1.00 0.00 C ATOM 72 C GLN A 30 -11.906 2.132 0.919 1.00 0.00 C ATOM 73 O GLN A 30 -11.173 1.170 1.134 1.00 0.00 O ATOM 74 CB GLN A 30 -14.185 1.373 0.143 1.00 0.00 C ATOM 75 CG GLN A 30 -14.103 2.026 -1.236 1.00 0.00 C ATOM 76 CD GLN A 30 -14.830 1.211 -2.297 1.00 0.00 C ATOM 77 OE1 GLN A 30 -15.812 0.531 -2.004 1.00 0.00 O ATOM 78 NE2 GLN A 30 -14.362 1.280 -3.536 1.00 0.00 N ATOM 0 H GLN A 30 -14.584 3.741 0.834 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.514 1.483 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.832 0.345 0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.232 1.327 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -14.533 3.026 -1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -13.057 2.141 -1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -13.545 1.855 -3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.819 0.758 -4.284 1.00 0.00 H new ATOM 87 N ILE A 31 -11.467 3.281 0.415 1.00 0.00 N ATOM 88 CA ILE A 31 -10.062 3.496 0.104 1.00 0.00 C ATOM 89 C ILE A 31 -9.222 3.471 1.375 1.00 0.00 C ATOM 90 O ILE A 31 -8.229 2.750 1.453 1.00 0.00 O ATOM 91 CB ILE A 31 -9.847 4.836 -0.637 1.00 0.00 C ATOM 92 CG1 ILE A 31 -10.464 4.771 -2.034 1.00 0.00 C ATOM 93 CG2 ILE A 31 -8.366 5.188 -0.721 1.00 0.00 C ATOM 94 CD1 ILE A 31 -9.890 3.670 -2.897 1.00 0.00 C ATOM 0 H ILE A 31 -12.069 4.080 0.213 1.00 0.00 H new ATOM 0 HA ILE A 31 -9.744 2.686 -0.552 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.344 5.622 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.540 4.625 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.315 5.728 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.246 6.135 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.956 5.277 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.836 4.404 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.374 3.683 -3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.818 3.826 -3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.063 2.706 -2.419 1.00 0.00 H new ATOM 106 N GLU A 32 -9.649 4.237 2.380 1.00 0.00 N ATOM 107 CA GLU A 32 -8.922 4.330 3.646 1.00 0.00 C ATOM 108 C GLU A 32 -8.728 2.947 4.252 1.00 0.00 C ATOM 109 O GLU A 32 -7.622 2.578 4.666 1.00 0.00 O ATOM 110 CB GLU A 32 -9.700 5.192 4.642 1.00 0.00 C ATOM 111 CG GLU A 32 -9.981 6.605 4.167 1.00 0.00 C ATOM 112 CD GLU A 32 -10.953 7.326 5.079 1.00 0.00 C ATOM 113 OE1 GLU A 32 -10.510 7.930 6.079 1.00 0.00 O ATOM 114 OE2 GLU A 32 -12.172 7.279 4.806 1.00 0.00 O ATOM 0 H GLU A 32 -10.497 4.803 2.341 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.951 4.782 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.648 4.702 4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.140 5.241 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.047 7.164 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.387 6.574 3.156 1.00 0.00 H new ATOM 121 N ARG A 33 -9.810 2.177 4.265 1.00 0.00 N ATOM 122 CA ARG A 33 -9.795 0.847 4.854 1.00 0.00 C ATOM 123 C ARG A 33 -8.915 -0.076 4.031 1.00 0.00 C ATOM 124 O ARG A 33 -8.091 -0.814 4.570 1.00 0.00 O ATOM 125 CB ARG A 33 -11.216 0.269 4.930 1.00 0.00 C ATOM 126 CG ARG A 33 -12.281 1.281 5.329 1.00 0.00 C ATOM 127 CD ARG A 33 -11.980 1.938 6.666 1.00 0.00 C ATOM 128 NE ARG A 33 -12.134 1.019 7.790 1.00 0.00 N ATOM 129 CZ ARG A 33 -12.262 1.418 9.053 1.00 0.00 C ATOM 130 NH1 ARG A 33 -12.240 2.717 9.338 1.00 0.00 N ATOM 131 NH2 ARG A 33 -12.420 0.526 10.025 1.00 0.00 N ATOM 0 H ARG A 33 -10.710 2.454 3.873 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.395 0.926 5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.477 -0.153 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.224 -0.552 5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.357 2.048 4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.250 0.784 5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.961 2.325 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.644 2.791 6.805 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.144 0.018 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.126 3.401 8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.338 3.029 10.304 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.444 -0.470 9.805 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.518 0.837 10.992 1.00 0.00 H new ATOM 145 N ARG A 34 -9.074 0.007 2.717 1.00 0.00 N ATOM 146 CA ARG A 34 -8.373 -0.871 1.794 1.00 0.00 C ATOM 147 C ARG A 34 -6.866 -0.691 1.900 1.00 0.00 C ATOM 148 O ARG A 34 -6.122 -1.661 1.820 1.00 0.00 O ATOM 149 CB ARG A 34 -8.816 -0.594 0.364 1.00 0.00 C ATOM 150 CG ARG A 34 -8.295 -1.602 -0.640 1.00 0.00 C ATOM 151 CD ARG A 34 -8.556 -1.134 -2.058 1.00 0.00 C ATOM 152 NE ARG A 34 -9.949 -0.743 -2.252 1.00 0.00 N ATOM 153 CZ ARG A 34 -10.358 0.098 -3.197 1.00 0.00 C ATOM 154 NH1 ARG A 34 -9.483 0.668 -4.013 1.00 0.00 N ATOM 155 NH2 ARG A 34 -11.642 0.381 -3.312 1.00 0.00 N ATOM 0 H ARG A 34 -9.690 0.682 2.264 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.620 -1.899 2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.905 -0.585 0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.479 0.401 0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.225 -1.750 -0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.775 -2.567 -0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.906 -0.290 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.302 -1.931 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.650 -1.138 -1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.488 0.462 -3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.804 1.312 -4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.317 -0.045 -2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.959 1.026 -4.036 1.00 0.00 H new ATOM 169 N ILE A 35 -6.420 0.548 2.092 1.00 0.00 N ATOM 170 CA ILE A 35 -4.998 0.827 2.215 1.00 0.00 C ATOM 171 C ILE A 35 -4.425 0.063 3.398 1.00 0.00 C ATOM 172 O ILE A 35 -3.389 -0.595 3.286 1.00 0.00 O ATOM 173 CB ILE A 35 -4.733 2.339 2.408 1.00 0.00 C ATOM 174 CG1 ILE A 35 -5.253 3.128 1.207 1.00 0.00 C ATOM 175 CG2 ILE A 35 -3.248 2.606 2.615 1.00 0.00 C ATOM 176 CD1 ILE A 35 -5.185 4.628 1.387 1.00 0.00 C ATOM 0 H ILE A 35 -7.022 1.368 2.165 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.514 0.508 1.292 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.267 2.668 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.676 2.851 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.287 2.841 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.086 3.676 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.903 2.073 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.691 2.261 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.571 5.119 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.785 4.919 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.150 4.929 1.548 1.00 0.00 H new ATOM 188 N LYS A 36 -5.127 0.123 4.523 1.00 0.00 N ATOM 189 CA LYS A 36 -4.671 -0.553 5.730 1.00 0.00 C ATOM 190 C LYS A 36 -4.718 -2.061 5.539 1.00 0.00 C ATOM 191 O LYS A 36 -3.834 -2.783 5.997 1.00 0.00 O ATOM 192 CB LYS A 36 -5.505 -0.133 6.942 1.00 0.00 C ATOM 193 CG LYS A 36 -5.627 1.376 7.090 1.00 0.00 C ATOM 194 CD LYS A 36 -4.333 2.085 6.705 1.00 0.00 C ATOM 195 CE LYS A 36 -4.471 3.597 6.786 1.00 0.00 C ATOM 196 NZ LYS A 36 -5.630 4.101 6.000 1.00 0.00 N ATOM 0 H LYS A 36 -6.007 0.629 4.624 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.638 -0.259 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.502 -0.565 6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.055 -0.545 7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.442 1.739 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.884 1.621 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.529 1.758 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.050 1.800 5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.585 3.894 7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.556 4.063 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.381 5.008 5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.875 3.411 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.445 4.236 6.631 1.00 0.00 H new ATOM 210 N LYS A 37 -5.743 -2.524 4.833 1.00 0.00 N ATOM 211 CA LYS A 37 -5.876 -3.936 4.509 1.00 0.00 C ATOM 212 C LYS A 37 -4.719 -4.404 3.644 1.00 0.00 C ATOM 213 O LYS A 37 -4.186 -5.492 3.840 1.00 0.00 O ATOM 214 CB LYS A 37 -7.178 -4.194 3.761 1.00 0.00 C ATOM 215 CG LYS A 37 -8.430 -3.865 4.551 1.00 0.00 C ATOM 216 CD LYS A 37 -9.656 -3.937 3.661 1.00 0.00 C ATOM 217 CE LYS A 37 -10.941 -3.704 4.435 1.00 0.00 C ATOM 218 NZ LYS A 37 -12.131 -3.782 3.549 1.00 0.00 N ATOM 0 H LYS A 37 -6.496 -1.938 4.473 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.875 -4.489 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.178 -3.607 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.213 -5.243 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.536 -4.562 5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.344 -2.867 4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.572 -3.194 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.696 -4.914 3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.028 -4.445 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.906 -2.726 4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.993 -3.635 4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.067 -3.047 2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.167 -4.718 3.098 1.00 0.00 H new ATOM 232 N LEU A 38 -4.331 -3.568 2.690 1.00 0.00 N ATOM 233 CA LEU A 38 -3.294 -3.922 1.740 1.00 0.00 C ATOM 234 C LEU A 38 -1.965 -4.101 2.442 1.00 0.00 C ATOM 235 O LEU A 38 -1.260 -5.084 2.208 1.00 0.00 O ATOM 236 CB LEU A 38 -3.178 -2.865 0.642 1.00 0.00 C ATOM 237 CG LEU A 38 -4.367 -2.795 -0.321 1.00 0.00 C ATOM 238 CD1 LEU A 38 -4.149 -1.706 -1.358 1.00 0.00 C ATOM 239 CD2 LEU A 38 -4.587 -4.139 -1.004 1.00 0.00 C ATOM 0 H LEU A 38 -4.723 -2.636 2.556 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.571 -4.869 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.052 -1.889 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.274 -3.061 0.065 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.259 -2.552 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.004 -1.671 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.042 -0.743 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.245 -1.922 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.436 -4.067 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.694 -4.412 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.788 -4.901 -0.251 1.00 0.00 H new ATOM 251 N ILE A 39 -1.633 -3.167 3.320 1.00 0.00 N ATOM 252 CA ILE A 39 -0.412 -3.276 4.090 1.00 0.00 C ATOM 253 C ILE A 39 -0.502 -4.463 5.043 1.00 0.00 C ATOM 254 O ILE A 39 0.481 -5.173 5.269 1.00 0.00 O ATOM 255 CB ILE A 39 -0.119 -1.965 4.849 1.00 0.00 C ATOM 256 CG1 ILE A 39 0.726 -1.029 3.975 1.00 0.00 C ATOM 257 CG2 ILE A 39 0.571 -2.225 6.183 1.00 0.00 C ATOM 258 CD1 ILE A 39 0.046 -0.601 2.689 1.00 0.00 C ATOM 0 H ILE A 39 -2.189 -2.334 3.513 1.00 0.00 H new ATOM 0 HA ILE A 39 0.420 -3.447 3.407 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.073 -1.484 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.979 -0.140 4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.664 -1.527 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.760 -1.277 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.069 -2.846 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.517 -2.738 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.709 0.059 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.183 -1.481 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.878 -0.072 2.924 1.00 0.00 H new ATOM 270 N SER A 40 -1.702 -4.702 5.563 1.00 0.00 N ATOM 271 CA SER A 40 -1.914 -5.794 6.499 1.00 0.00 C ATOM 272 C SER A 40 -1.698 -7.127 5.798 1.00 0.00 C ATOM 273 O SER A 40 -1.059 -8.022 6.336 1.00 0.00 O ATOM 274 CB SER A 40 -3.319 -5.728 7.105 1.00 0.00 C ATOM 275 OG SER A 40 -3.510 -6.742 8.084 1.00 0.00 O ATOM 0 H SER A 40 -2.537 -4.156 5.352 1.00 0.00 H new ATOM 0 HA SER A 40 -1.193 -5.700 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.476 -4.749 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.063 -5.837 6.316 1.00 0.00 H new ATOM 0 HG SER A 40 -3.636 -6.328 8.963 1.00 0.00 H new ATOM 281 N LEU A 41 -2.202 -7.240 4.579 1.00 0.00 N ATOM 282 CA LEU A 41 -2.064 -8.453 3.807 1.00 0.00 C ATOM 283 C LEU A 41 -0.601 -8.773 3.580 1.00 0.00 C ATOM 284 O LEU A 41 -0.191 -9.910 3.752 1.00 0.00 O ATOM 285 CB LEU A 41 -2.800 -8.334 2.475 1.00 0.00 C ATOM 286 CG LEU A 41 -4.321 -8.251 2.591 1.00 0.00 C ATOM 287 CD1 LEU A 41 -4.947 -8.042 1.227 1.00 0.00 C ATOM 288 CD2 LEU A 41 -4.877 -9.507 3.242 1.00 0.00 C ATOM 0 H LEU A 41 -2.714 -6.496 4.105 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.513 -9.270 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.440 -7.446 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.543 -9.193 1.855 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.570 -7.397 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.031 -7.985 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.574 -7.114 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.687 -8.876 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.962 -9.429 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.616 -10.376 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.453 -9.618 4.240 1.00 0.00 H new ATOM 300 N GLY A 42 0.197 -7.758 3.250 1.00 0.00 N ATOM 301 CA GLY A 42 1.611 -7.981 3.032 1.00 0.00 C ATOM 302 C GLY A 42 2.289 -8.385 4.318 1.00 0.00 C ATOM 303 O GLY A 42 3.188 -9.222 4.334 1.00 0.00 O ATOM 0 H GLY A 42 -0.111 -6.793 3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.751 -8.759 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.072 -7.074 2.641 1.00 0.00 H new ATOM 307 N LYS A 43 1.810 -7.807 5.404 1.00 0.00 N ATOM 308 CA LYS A 43 2.327 -8.093 6.730 1.00 0.00 C ATOM 309 C LYS A 43 2.003 -9.539 7.109 1.00 0.00 C ATOM 310 O LYS A 43 2.793 -10.220 7.756 1.00 0.00 O ATOM 311 CB LYS A 43 1.716 -7.123 7.748 1.00 0.00 C ATOM 312 CG LYS A 43 2.715 -6.460 8.692 1.00 0.00 C ATOM 313 CD LYS A 43 3.200 -7.395 9.792 1.00 0.00 C ATOM 314 CE LYS A 43 4.517 -8.071 9.438 1.00 0.00 C ATOM 315 NZ LYS A 43 5.051 -8.855 10.583 1.00 0.00 N ATOM 0 H LYS A 43 1.051 -7.126 5.392 1.00 0.00 H new ATOM 0 HA LYS A 43 3.409 -7.963 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.179 -6.344 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.980 -7.662 8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.572 -6.108 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.253 -5.583 9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.321 -6.832 10.717 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.442 -8.156 9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.371 -8.729 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.246 -7.317 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.949 -9.303 10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.213 -8.222 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.365 -9.590 10.850 1.00 0.00 H new ATOM 329 N LYS A 44 0.823 -9.986 6.692 1.00 0.00 N ATOM 330 CA LYS A 44 0.396 -11.372 6.875 1.00 0.00 C ATOM 331 C LYS A 44 1.225 -12.289 6.003 1.00 0.00 C ATOM 332 O LYS A 44 1.626 -13.382 6.405 1.00 0.00 O ATOM 333 CB LYS A 44 -1.071 -11.529 6.474 1.00 0.00 C ATOM 334 CG LYS A 44 -2.037 -11.735 7.634 1.00 0.00 C ATOM 335 CD LYS A 44 -2.557 -10.423 8.208 1.00 0.00 C ATOM 336 CE LYS A 44 -1.436 -9.548 8.731 1.00 0.00 C ATOM 337 NZ LYS A 44 -1.931 -8.525 9.687 1.00 0.00 N ATOM 0 H LYS A 44 0.135 -9.400 6.218 1.00 0.00 H new ATOM 0 HA LYS A 44 0.526 -11.633 7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.377 -10.642 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.157 -12.376 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.880 -12.338 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.537 -12.298 8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.109 -9.884 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.259 -10.633 9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.688 -10.171 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.941 -9.054 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.123 -8.038 10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.520 -7.833 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.497 -8.987 10.427 1.00 0.00 H new ATOM 351 N LYS A 45 1.457 -11.816 4.797 1.00 0.00 N ATOM 352 CA LYS A 45 2.166 -12.569 3.780 1.00 0.00 C ATOM 353 C LYS A 45 3.633 -12.733 4.138 1.00 0.00 C ATOM 354 O LYS A 45 4.258 -13.739 3.801 1.00 0.00 O ATOM 355 CB LYS A 45 2.020 -11.885 2.427 1.00 0.00 C ATOM 356 CG LYS A 45 0.598 -11.925 1.902 1.00 0.00 C ATOM 357 CD LYS A 45 0.034 -13.335 1.884 1.00 0.00 C ATOM 358 CE LYS A 45 -1.419 -13.341 1.443 1.00 0.00 C ATOM 359 NZ LYS A 45 -2.053 -14.673 1.611 1.00 0.00 N ATOM 0 H LYS A 45 1.157 -10.890 4.491 1.00 0.00 H new ATOM 0 HA LYS A 45 1.725 -13.564 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.342 -10.847 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.682 -12.367 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.035 -11.290 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.573 -11.512 0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.624 -13.956 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.117 -13.775 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.974 -12.601 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.480 -13.041 0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.043 -14.628 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.541 -15.376 1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.020 -14.949 2.613 1.00 0.00 H new ATOM 373 N GLY A 46 4.175 -11.749 4.828 1.00 0.00 N ATOM 374 CA GLY A 46 5.552 -11.832 5.259 1.00 0.00 C ATOM 375 C GLY A 46 6.223 -10.481 5.378 1.00 0.00 C ATOM 376 O GLY A 46 6.699 -10.111 6.452 1.00 0.00 O ATOM 0 H GLY A 46 3.689 -10.894 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.594 -12.337 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.110 -12.447 4.553 1.00 0.00 H new ATOM 380 N TYR A 47 6.267 -9.739 4.283 1.00 0.00 N ATOM 381 CA TYR A 47 6.962 -8.466 4.267 1.00 0.00 C ATOM 382 C TYR A 47 6.007 -7.340 3.932 1.00 0.00 C ATOM 383 O TYR A 47 5.068 -7.513 3.161 1.00 0.00 O ATOM 384 CB TYR A 47 8.098 -8.474 3.243 1.00 0.00 C ATOM 385 CG TYR A 47 9.123 -9.563 3.453 1.00 0.00 C ATOM 386 CD1 TYR A 47 10.146 -9.413 4.379 1.00 0.00 C ATOM 387 CD2 TYR A 47 9.073 -10.737 2.714 1.00 0.00 C ATOM 388 CE1 TYR A 47 11.090 -10.406 4.565 1.00 0.00 C ATOM 389 CE2 TYR A 47 10.012 -11.733 2.893 1.00 0.00 C ATOM 390 CZ TYR A 47 11.018 -11.562 3.819 1.00 0.00 C ATOM 391 OH TYR A 47 11.957 -12.552 3.998 1.00 0.00 O ATOM 0 H TYR A 47 5.831 -9.997 3.398 1.00 0.00 H new ATOM 0 HA TYR A 47 7.377 -8.309 5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.671 -8.582 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.602 -7.508 3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.206 -8.507 4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.286 -10.873 1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.879 -10.276 5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.958 -12.641 2.311 1.00 0.00 H new ATOM 0 HH TYR A 47 11.762 -13.300 3.396 1.00 0.00 H new ATOM 401 N ILE A 48 6.254 -6.182 4.503 1.00 0.00 N ATOM 402 CA ILE A 48 5.472 -5.006 4.181 1.00 0.00 C ATOM 403 C ILE A 48 6.043 -4.334 2.939 1.00 0.00 C ATOM 404 O ILE A 48 6.848 -3.414 3.025 1.00 0.00 O ATOM 405 CB ILE A 48 5.403 -4.004 5.361 1.00 0.00 C ATOM 406 CG1 ILE A 48 6.556 -4.214 6.362 1.00 0.00 C ATOM 407 CG2 ILE A 48 4.066 -4.140 6.072 1.00 0.00 C ATOM 408 CD1 ILE A 48 7.940 -3.982 5.791 1.00 0.00 C ATOM 0 H ILE A 48 6.990 -6.028 5.193 1.00 0.00 H new ATOM 0 HA ILE A 48 4.450 -5.330 3.983 1.00 0.00 H new ATOM 0 HB ILE A 48 5.503 -2.999 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.410 -3.544 7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.503 -5.232 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.021 -3.434 6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.258 -3.929 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.959 -5.155 6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.687 -4.153 6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.112 -4.670 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.018 -2.956 5.432 1.00 0.00 H new ATOM 420 N THR A 49 5.599 -4.792 1.783 1.00 0.00 N ATOM 421 CA THR A 49 6.188 -4.388 0.523 1.00 0.00 C ATOM 422 C THR A 49 5.107 -4.218 -0.539 1.00 0.00 C ATOM 423 O THR A 49 4.095 -4.920 -0.512 1.00 0.00 O ATOM 424 CB THR A 49 7.212 -5.436 0.029 1.00 0.00 C ATOM 425 OG1 THR A 49 8.089 -5.826 1.092 1.00 0.00 O ATOM 426 CG2 THR A 49 8.037 -4.902 -1.129 1.00 0.00 C ATOM 0 H THR A 49 4.825 -5.450 1.693 1.00 0.00 H new ATOM 0 HA THR A 49 6.697 -3.438 0.687 1.00 0.00 H new ATOM 0 HB THR A 49 6.647 -6.303 -0.314 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.158 -6.803 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.747 -5.664 -1.452 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.377 -4.646 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.580 -4.013 -0.809 1.00 0.00 H new ATOM 434 N TYR A 50 5.324 -3.290 -1.465 1.00 0.00 N ATOM 435 CA TYR A 50 4.404 -3.082 -2.576 1.00 0.00 C ATOM 436 C TYR A 50 4.231 -4.379 -3.365 1.00 0.00 C ATOM 437 O TYR A 50 3.118 -4.756 -3.731 1.00 0.00 O ATOM 438 CB TYR A 50 4.950 -1.973 -3.486 1.00 0.00 C ATOM 439 CG TYR A 50 4.025 -1.564 -4.614 1.00 0.00 C ATOM 440 CD1 TYR A 50 3.069 -0.574 -4.426 1.00 0.00 C ATOM 441 CD2 TYR A 50 4.119 -2.157 -5.868 1.00 0.00 C ATOM 442 CE1 TYR A 50 2.232 -0.187 -5.455 1.00 0.00 C ATOM 443 CE2 TYR A 50 3.288 -1.772 -6.902 1.00 0.00 C ATOM 444 CZ TYR A 50 2.347 -0.788 -6.691 1.00 0.00 C ATOM 445 OH TYR A 50 1.522 -0.401 -7.722 1.00 0.00 O ATOM 0 H TYR A 50 6.132 -2.668 -1.467 1.00 0.00 H new ATOM 0 HA TYR A 50 3.430 -2.782 -2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.167 -1.096 -2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.896 -2.306 -3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.978 -0.099 -3.460 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.853 -2.931 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.492 0.582 -5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.375 -2.240 -7.871 1.00 0.00 H new ATOM 0 HH TYR A 50 1.734 -0.922 -8.524 1.00 0.00 H new ATOM 455 N GLU A 51 5.342 -5.075 -3.585 1.00 0.00 N ATOM 456 CA GLU A 51 5.324 -6.359 -4.272 1.00 0.00 C ATOM 457 C GLU A 51 4.678 -7.447 -3.418 1.00 0.00 C ATOM 458 O GLU A 51 4.050 -8.364 -3.943 1.00 0.00 O ATOM 459 CB GLU A 51 6.736 -6.766 -4.674 1.00 0.00 C ATOM 460 CG GLU A 51 7.389 -5.772 -5.615 1.00 0.00 C ATOM 461 CD GLU A 51 8.649 -6.317 -6.249 1.00 0.00 C ATOM 462 OE1 GLU A 51 9.734 -6.152 -5.661 1.00 0.00 O ATOM 463 OE2 GLU A 51 8.558 -6.923 -7.338 1.00 0.00 O ATOM 0 H GLU A 51 6.270 -4.768 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 51 4.719 -6.244 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.349 -6.868 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.705 -7.745 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.681 -5.498 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.627 -4.860 -5.067 1.00 0.00 H new ATOM 470 N ASP A 52 4.845 -7.346 -2.106 1.00 0.00 N ATOM 471 CA ASP A 52 4.269 -8.315 -1.180 1.00 0.00 C ATOM 472 C ASP A 52 2.751 -8.217 -1.151 1.00 0.00 C ATOM 473 O ASP A 52 2.055 -9.190 -0.877 1.00 0.00 O ATOM 474 CB ASP A 52 4.855 -8.165 0.218 1.00 0.00 C ATOM 475 CG ASP A 52 6.131 -8.969 0.387 1.00 0.00 C ATOM 476 OD1 ASP A 52 7.224 -8.435 0.088 1.00 0.00 O ATOM 477 OD2 ASP A 52 6.046 -10.145 0.803 1.00 0.00 O ATOM 0 H ASP A 52 5.376 -6.600 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 52 4.531 -9.309 -1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.060 -7.113 0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.121 -8.490 0.956 1.00 0.00 H new ATOM 482 N ILE A 53 2.242 -7.036 -1.403 1.00 0.00 N ATOM 483 CA ILE A 53 0.815 -6.857 -1.599 1.00 0.00 C ATOM 484 C ILE A 53 0.364 -7.576 -2.863 1.00 0.00 C ATOM 485 O ILE A 53 -0.667 -8.244 -2.879 1.00 0.00 O ATOM 486 CB ILE A 53 0.485 -5.381 -1.740 1.00 0.00 C ATOM 487 CG1 ILE A 53 0.925 -4.629 -0.477 1.00 0.00 C ATOM 488 CG2 ILE A 53 -1.002 -5.175 -2.017 1.00 0.00 C ATOM 489 CD1 ILE A 53 0.441 -3.198 -0.390 1.00 0.00 C ATOM 0 H ILE A 53 2.791 -6.180 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 53 0.299 -7.271 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 53 1.031 -4.978 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.566 -5.173 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.014 -4.633 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.210 -4.109 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.273 -5.683 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.586 -5.586 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.801 -2.748 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.822 -2.633 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.649 -3.181 -0.402 1.00 0.00 H new ATOM 501 N ASP A 54 1.148 -7.424 -3.927 1.00 0.00 N ATOM 502 CA ASP A 54 0.885 -8.128 -5.177 1.00 0.00 C ATOM 503 C ASP A 54 0.853 -9.626 -4.946 1.00 0.00 C ATOM 504 O ASP A 54 0.031 -10.334 -5.520 1.00 0.00 O ATOM 505 CB ASP A 54 1.951 -7.812 -6.227 1.00 0.00 C ATOM 506 CG ASP A 54 1.598 -6.628 -7.099 1.00 0.00 C ATOM 507 OD1 ASP A 54 0.679 -6.759 -7.935 1.00 0.00 O ATOM 508 OD2 ASP A 54 2.264 -5.580 -6.983 1.00 0.00 O ATOM 0 H ASP A 54 1.970 -6.820 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.085 -7.790 -5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.898 -7.615 -5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.100 -8.688 -6.858 1.00 0.00 H new ATOM 513 N LYS A 55 1.753 -10.101 -4.098 1.00 0.00 N ATOM 514 CA LYS A 55 1.824 -11.540 -3.808 1.00 0.00 C ATOM 515 C LYS A 55 0.718 -11.954 -2.843 1.00 0.00 C ATOM 516 O LYS A 55 0.434 -13.142 -2.679 1.00 0.00 O ATOM 517 CB LYS A 55 3.214 -11.987 -3.318 1.00 0.00 C ATOM 518 CG LYS A 55 3.770 -11.187 -2.161 1.00 0.00 C ATOM 519 CD LYS A 55 3.559 -11.857 -0.807 1.00 0.00 C ATOM 520 CE LYS A 55 4.545 -12.988 -0.571 1.00 0.00 C ATOM 521 NZ LYS A 55 5.944 -12.490 -0.484 1.00 0.00 N ATOM 0 H LYS A 55 2.437 -9.529 -3.602 1.00 0.00 H new ATOM 0 HA LYS A 55 1.663 -12.062 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.159 -13.035 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.914 -11.927 -4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.837 -11.028 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.300 -10.204 -2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.663 -11.115 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.542 -12.245 -0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.287 -13.510 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.467 -13.714 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.439 -12.979 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.435 -12.676 -1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.937 -11.467 -0.299 1.00 0.00 H new ATOM 535 N ALA A 56 0.112 -10.962 -2.195 1.00 0.00 N ATOM 536 CA ALA A 56 -1.016 -11.188 -1.302 1.00 0.00 C ATOM 537 C ALA A 56 -2.294 -11.466 -2.091 1.00 0.00 C ATOM 538 O ALA A 56 -3.265 -11.990 -1.546 1.00 0.00 O ATOM 539 CB ALA A 56 -1.212 -9.990 -0.383 1.00 0.00 C ATOM 0 H ALA A 56 0.389 -9.984 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.796 -12.066 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.059 -10.174 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.312 -9.838 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.406 -9.100 -0.982 1.00 0.00 H new ATOM 545 N PHE A 57 -2.279 -11.089 -3.371 1.00 0.00 N ATOM 546 CA PHE A 57 -3.417 -11.280 -4.271 1.00 0.00 C ATOM 547 C PHE A 57 -3.925 -12.724 -4.208 1.00 0.00 C ATOM 548 O PHE A 57 -3.132 -13.668 -4.213 1.00 0.00 O ATOM 549 CB PHE A 57 -2.990 -10.926 -5.702 1.00 0.00 C ATOM 550 CG PHE A 57 -4.115 -10.835 -6.694 1.00 0.00 C ATOM 551 CD1 PHE A 57 -4.545 -11.956 -7.382 1.00 0.00 C ATOM 552 CD2 PHE A 57 -4.736 -9.621 -6.942 1.00 0.00 C ATOM 553 CE1 PHE A 57 -5.573 -11.870 -8.298 1.00 0.00 C ATOM 554 CE2 PHE A 57 -5.764 -9.529 -7.859 1.00 0.00 C ATOM 555 CZ PHE A 57 -6.184 -10.655 -8.537 1.00 0.00 C ATOM 0 H PHE A 57 -1.476 -10.642 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.232 -10.626 -3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.464 -9.972 -5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.279 -11.675 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.071 -12.909 -7.200 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.412 -8.737 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.900 -12.753 -8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.239 -8.577 -8.045 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.989 -10.586 -9.253 1.00 0.00 H new ATOM 565 N PRO A 58 -5.254 -12.923 -4.149 1.00 0.00 N ATOM 566 CA PRO A 58 -6.240 -11.833 -4.172 1.00 0.00 C ATOM 567 C PRO A 58 -6.319 -11.077 -2.847 1.00 0.00 C ATOM 568 O PRO A 58 -6.298 -11.676 -1.771 1.00 0.00 O ATOM 569 CB PRO A 58 -7.554 -12.563 -4.452 1.00 0.00 C ATOM 570 CG PRO A 58 -7.359 -13.925 -3.885 1.00 0.00 C ATOM 571 CD PRO A 58 -5.899 -14.245 -4.051 1.00 0.00 C ATOM 0 HA PRO A 58 -5.987 -11.071 -4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.397 -12.056 -3.982 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.763 -12.605 -5.521 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.646 -13.954 -2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.979 -14.655 -4.405 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.516 -14.814 -3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.720 -14.844 -4.944 1.00 0.00 H new ATOM 579 N PRO A 59 -6.407 -9.741 -2.909 1.00 0.00 N ATOM 580 CA PRO A 59 -6.479 -8.883 -1.758 1.00 0.00 C ATOM 581 C PRO A 59 -7.920 -8.487 -1.487 1.00 0.00 C ATOM 582 O PRO A 59 -8.847 -9.074 -2.043 1.00 0.00 O ATOM 583 CB PRO A 59 -5.652 -7.668 -2.215 1.00 0.00 C ATOM 584 CG PRO A 59 -5.554 -7.782 -3.712 1.00 0.00 C ATOM 585 CD PRO A 59 -6.462 -8.914 -4.103 1.00 0.00 C ATOM 0 HA PRO A 59 -6.117 -9.338 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.134 -6.735 -1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.663 -7.673 -1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.859 -6.853 -4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.528 -7.980 -4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.474 -8.574 -4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.105 -9.442 -4.987 1.00 0.00 H new ATOM 593 N ASP A 60 -8.110 -7.480 -0.663 1.00 0.00 N ATOM 594 CA ASP A 60 -9.449 -7.072 -0.279 1.00 0.00 C ATOM 595 C ASP A 60 -9.921 -5.895 -1.131 1.00 0.00 C ATOM 596 O ASP A 60 -10.897 -5.226 -0.801 1.00 0.00 O ATOM 597 CB ASP A 60 -9.481 -6.716 1.215 1.00 0.00 C ATOM 598 CG ASP A 60 -10.854 -6.879 1.847 1.00 0.00 C ATOM 599 OD1 ASP A 60 -11.199 -8.017 2.232 1.00 0.00 O ATOM 600 OD2 ASP A 60 -11.577 -5.873 1.991 1.00 0.00 O ATOM 0 H ASP A 60 -7.360 -6.929 -0.246 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.132 -7.903 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.768 -7.346 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.151 -5.685 1.342 1.00 0.00 H new ATOM 605 N PHE A 61 -9.204 -5.638 -2.222 1.00 0.00 N ATOM 606 CA PHE A 61 -9.456 -4.462 -3.046 1.00 0.00 C ATOM 607 C PHE A 61 -10.858 -4.506 -3.669 1.00 0.00 C ATOM 608 O PHE A 61 -11.224 -5.450 -4.368 1.00 0.00 O ATOM 609 CB PHE A 61 -8.362 -4.320 -4.125 1.00 0.00 C ATOM 610 CG PHE A 61 -8.576 -5.127 -5.380 1.00 0.00 C ATOM 611 CD1 PHE A 61 -8.441 -6.506 -5.372 1.00 0.00 C ATOM 612 CD2 PHE A 61 -8.904 -4.499 -6.571 1.00 0.00 C ATOM 613 CE1 PHE A 61 -8.632 -7.242 -6.526 1.00 0.00 C ATOM 614 CE2 PHE A 61 -9.094 -5.229 -7.728 1.00 0.00 C ATOM 615 CZ PHE A 61 -8.958 -6.602 -7.705 1.00 0.00 C ATOM 0 H PHE A 61 -8.443 -6.230 -2.555 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.418 -3.581 -2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -8.283 -3.268 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.406 -4.608 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.183 -7.012 -4.453 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.012 -3.425 -6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.526 -8.317 -6.506 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.349 -4.726 -8.649 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.106 -7.175 -8.608 1.00 0.00 H new ATOM 625 N GLU A 62 -11.656 -3.494 -3.357 1.00 0.00 N ATOM 626 CA GLU A 62 -12.993 -3.360 -3.926 1.00 0.00 C ATOM 627 C GLU A 62 -12.927 -2.754 -5.319 1.00 0.00 C ATOM 628 O GLU A 62 -13.832 -2.924 -6.133 1.00 0.00 O ATOM 629 CB GLU A 62 -13.849 -2.493 -3.027 1.00 0.00 C ATOM 630 CG GLU A 62 -13.865 -2.999 -1.611 1.00 0.00 C ATOM 631 CD GLU A 62 -13.266 -2.004 -0.649 1.00 0.00 C ATOM 632 OE1 GLU A 62 -12.177 -1.469 -0.954 1.00 0.00 O ATOM 633 OE2 GLU A 62 -13.884 -1.741 0.403 1.00 0.00 O ATOM 0 H GLU A 62 -11.400 -2.749 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.438 -4.352 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.472 -1.470 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.868 -2.464 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.891 -3.217 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.311 -3.936 -1.555 1.00 0.00 H new ATOM 640 N GLY A 63 -11.837 -2.056 -5.583 1.00 0.00 N ATOM 641 CA GLY A 63 -11.680 -1.334 -6.802 1.00 0.00 C ATOM 642 C GLY A 63 -10.219 -1.116 -7.044 1.00 0.00 C ATOM 643 O GLY A 63 -9.445 -1.018 -6.093 1.00 0.00 O ATOM 0 H GLY A 63 -11.043 -1.983 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.122 -1.889 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.201 -0.378 -6.745 1.00 0.00 H new ATOM 647 N PHE A 64 -9.808 -1.101 -8.278 1.00 0.00 N ATOM 648 CA PHE A 64 -8.435 -0.763 -8.562 1.00 0.00 C ATOM 649 C PHE A 64 -8.381 0.686 -9.029 1.00 0.00 C ATOM 650 O PHE A 64 -8.995 1.044 -10.036 1.00 0.00 O ATOM 651 CB PHE A 64 -7.840 -1.706 -9.614 1.00 0.00 C ATOM 652 CG PHE A 64 -6.343 -1.617 -9.726 1.00 0.00 C ATOM 653 CD1 PHE A 64 -5.530 -2.376 -8.899 1.00 0.00 C ATOM 654 CD2 PHE A 64 -5.750 -0.776 -10.654 1.00 0.00 C ATOM 655 CE1 PHE A 64 -4.154 -2.299 -8.998 1.00 0.00 C ATOM 656 CE2 PHE A 64 -4.375 -0.696 -10.757 1.00 0.00 C ATOM 657 CZ PHE A 64 -3.576 -1.457 -9.928 1.00 0.00 C ATOM 0 H PHE A 64 -10.385 -1.313 -9.092 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.835 -0.878 -7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.117 -2.731 -9.369 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.282 -1.480 -10.584 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.977 -3.035 -8.169 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.370 -0.176 -11.304 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.531 -2.897 -8.349 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.925 -0.038 -11.486 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.501 -1.394 -10.006 1.00 0.00 H new ATOM 667 N ASP A 65 -7.639 1.513 -8.310 1.00 0.00 N ATOM 668 CA ASP A 65 -7.682 2.949 -8.531 1.00 0.00 C ATOM 669 C ASP A 65 -6.279 3.527 -8.562 1.00 0.00 C ATOM 670 O ASP A 65 -5.457 3.228 -7.697 1.00 0.00 O ATOM 671 CB ASP A 65 -8.471 3.641 -7.409 1.00 0.00 C ATOM 672 CG ASP A 65 -9.830 3.020 -7.146 1.00 0.00 C ATOM 673 OD1 ASP A 65 -10.782 3.303 -7.906 1.00 0.00 O ATOM 674 OD2 ASP A 65 -9.956 2.249 -6.170 1.00 0.00 O ATOM 0 H ASP A 65 -7.002 1.216 -7.571 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.172 3.123 -9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.884 3.610 -6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.605 4.692 -7.666 1.00 0.00 H new ATOM 679 N THR A 66 -6.012 4.353 -9.565 1.00 0.00 N ATOM 680 CA THR A 66 -4.768 5.104 -9.633 1.00 0.00 C ATOM 681 C THR A 66 -4.688 6.075 -8.461 1.00 0.00 C ATOM 682 O THR A 66 -3.607 6.363 -7.936 1.00 0.00 O ATOM 683 CB THR A 66 -4.662 5.880 -10.963 1.00 0.00 C ATOM 684 OG1 THR A 66 -4.952 5.004 -12.061 1.00 0.00 O ATOM 685 CG2 THR A 66 -3.274 6.483 -11.141 1.00 0.00 C ATOM 0 H THR A 66 -6.646 4.520 -10.347 1.00 0.00 H new ATOM 0 HA THR A 66 -3.938 4.399 -9.581 1.00 0.00 H new ATOM 0 HB THR A 66 -5.387 6.693 -10.940 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.885 5.501 -12.903 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.231 7.023 -12.087 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.068 7.170 -10.321 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.529 5.687 -11.143 1.00 0.00 H new ATOM 693 N ASN A 67 -5.857 6.555 -8.044 1.00 0.00 N ATOM 694 CA ASN A 67 -5.966 7.422 -6.881 1.00 0.00 C ATOM 695 C ASN A 67 -5.499 6.678 -5.645 1.00 0.00 C ATOM 696 O ASN A 67 -4.827 7.237 -4.793 1.00 0.00 O ATOM 697 CB ASN A 67 -7.414 7.880 -6.678 1.00 0.00 C ATOM 698 CG ASN A 67 -7.994 8.587 -7.887 1.00 0.00 C ATOM 699 OD1 ASN A 67 -8.557 7.948 -8.777 1.00 0.00 O ATOM 700 ND2 ASN A 67 -7.873 9.903 -7.923 1.00 0.00 N ATOM 0 H ASN A 67 -6.747 6.354 -8.501 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.340 8.299 -7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.032 7.014 -6.441 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.459 8.549 -5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.254 10.429 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.399 10.393 -7.164 1.00 0.00 H new ATOM 707 N LEU A 68 -5.837 5.399 -5.573 1.00 0.00 N ATOM 708 CA LEU A 68 -5.476 4.569 -4.439 1.00 0.00 C ATOM 709 C LEU A 68 -3.969 4.515 -4.275 1.00 0.00 C ATOM 710 O LEU A 68 -3.469 4.554 -3.163 1.00 0.00 O ATOM 711 CB LEU A 68 -6.035 3.155 -4.614 1.00 0.00 C ATOM 712 CG LEU A 68 -5.629 2.149 -3.535 1.00 0.00 C ATOM 713 CD1 LEU A 68 -6.253 2.511 -2.198 1.00 0.00 C ATOM 714 CD2 LEU A 68 -6.019 0.738 -3.949 1.00 0.00 C ATOM 0 H LEU A 68 -6.366 4.912 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.908 5.011 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.123 3.214 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.713 2.773 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.546 2.186 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.951 1.782 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.918 3.503 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.339 2.508 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.723 0.035 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.098 0.686 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.516 0.480 -4.881 1.00 0.00 H new ATOM 726 N ILE A 69 -3.251 4.447 -5.386 1.00 0.00 N ATOM 727 CA ILE A 69 -1.801 4.368 -5.344 1.00 0.00 C ATOM 728 C ILE A 69 -1.202 5.602 -4.671 1.00 0.00 C ATOM 729 O ILE A 69 -0.334 5.483 -3.797 1.00 0.00 O ATOM 730 CB ILE A 69 -1.215 4.201 -6.760 1.00 0.00 C ATOM 731 CG1 ILE A 69 -1.762 2.926 -7.410 1.00 0.00 C ATOM 732 CG2 ILE A 69 0.306 4.169 -6.715 1.00 0.00 C ATOM 733 CD1 ILE A 69 -1.489 1.670 -6.608 1.00 0.00 C ATOM 0 H ILE A 69 -3.649 4.445 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.538 3.490 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.517 5.058 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.838 3.032 -7.548 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.322 2.816 -8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.697 4.050 -7.725 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.677 5.101 -6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.634 3.332 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.905 0.808 -7.129 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.413 1.539 -6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.952 1.758 -5.625 1.00 0.00 H new ATOM 745 N GLU A 70 -1.669 6.786 -5.053 1.00 0.00 N ATOM 746 CA GLU A 70 -1.190 8.003 -4.419 1.00 0.00 C ATOM 747 C GLU A 70 -1.722 8.082 -2.992 1.00 0.00 C ATOM 748 O GLU A 70 -1.032 8.546 -2.083 1.00 0.00 O ATOM 749 CB GLU A 70 -1.579 9.255 -5.219 1.00 0.00 C ATOM 750 CG GLU A 70 -3.060 9.594 -5.179 1.00 0.00 C ATOM 751 CD GLU A 70 -3.372 10.919 -5.839 1.00 0.00 C ATOM 752 OE1 GLU A 70 -2.744 11.933 -5.467 1.00 0.00 O ATOM 753 OE2 GLU A 70 -4.264 10.957 -6.709 1.00 0.00 O ATOM 0 H GLU A 70 -2.366 6.926 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.101 7.968 -4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.014 10.105 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.279 9.115 -6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.623 8.804 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.395 9.621 -4.142 1.00 0.00 H new ATOM 760 N ARG A 71 -2.946 7.584 -2.797 1.00 0.00 N ATOM 761 CA ARG A 71 -3.606 7.660 -1.508 1.00 0.00 C ATOM 762 C ARG A 71 -2.948 6.736 -0.487 1.00 0.00 C ATOM 763 O ARG A 71 -2.911 7.041 0.701 1.00 0.00 O ATOM 764 CB ARG A 71 -5.108 7.365 -1.637 1.00 0.00 C ATOM 765 CG ARG A 71 -5.871 8.472 -2.354 1.00 0.00 C ATOM 766 CD ARG A 71 -5.617 9.838 -1.729 1.00 0.00 C ATOM 767 NE ARG A 71 -5.963 10.927 -2.644 1.00 0.00 N ATOM 768 CZ ARG A 71 -5.757 12.220 -2.388 1.00 0.00 C ATOM 769 NH1 ARG A 71 -5.267 12.612 -1.219 1.00 0.00 N ATOM 770 NH2 ARG A 71 -6.045 13.124 -3.310 1.00 0.00 N ATOM 0 H ARG A 71 -3.495 7.124 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.496 8.681 -1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.244 6.428 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.532 7.224 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.578 8.493 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.938 8.253 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.201 9.933 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.567 9.919 -1.447 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.390 10.681 -3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.043 11.921 -0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.114 13.604 -1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.423 12.831 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.890 14.114 -3.120 1.00 0.00 H new ATOM 784 N ILE A 72 -2.427 5.609 -0.952 1.00 0.00 N ATOM 785 CA ILE A 72 -1.683 4.706 -0.088 1.00 0.00 C ATOM 786 C ILE A 72 -0.449 5.407 0.465 1.00 0.00 C ATOM 787 O ILE A 72 -0.200 5.388 1.668 1.00 0.00 O ATOM 788 CB ILE A 72 -1.247 3.420 -0.833 1.00 0.00 C ATOM 789 CG1 ILE A 72 -2.467 2.570 -1.200 1.00 0.00 C ATOM 790 CG2 ILE A 72 -0.269 2.612 0.012 1.00 0.00 C ATOM 791 CD1 ILE A 72 -2.129 1.351 -2.032 1.00 0.00 C ATOM 0 H ILE A 72 -2.506 5.300 -1.921 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.347 4.419 0.727 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.742 3.715 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.964 2.248 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.178 3.188 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.024 1.713 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.615 3.214 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.746 2.330 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.041 0.797 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.660 1.665 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.442 0.711 -1.478 1.00 0.00 H new ATOM 803 N HIS A 73 0.318 6.034 -0.421 1.00 0.00 N ATOM 804 CA HIS A 73 1.556 6.696 -0.015 1.00 0.00 C ATOM 805 C HIS A 73 1.307 7.915 0.870 1.00 0.00 C ATOM 806 O HIS A 73 2.105 8.200 1.761 1.00 0.00 O ATOM 807 CB HIS A 73 2.417 7.089 -1.209 1.00 0.00 C ATOM 808 CG HIS A 73 2.969 5.919 -1.963 1.00 0.00 C ATOM 809 ND1 HIS A 73 2.339 5.348 -3.051 1.00 0.00 N ATOM 810 CD2 HIS A 73 4.102 5.203 -1.772 1.00 0.00 C ATOM 811 CE1 HIS A 73 3.061 4.333 -3.491 1.00 0.00 C ATOM 812 NE2 HIS A 73 4.132 4.227 -2.732 1.00 0.00 N ATOM 0 H HIS A 73 0.108 6.099 -1.417 1.00 0.00 H new ATOM 0 HA HIS A 73 2.100 5.958 0.574 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.823 7.701 -1.888 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.243 7.709 -0.862 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.844 5.370 -1.005 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.815 3.699 -4.330 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.867 3.529 -2.842 1.00 0.00 H new ATOM 821 N GLU A 74 0.226 8.654 0.630 1.00 0.00 N ATOM 822 CA GLU A 74 -0.076 9.788 1.495 1.00 0.00 C ATOM 823 C GLU A 74 -0.453 9.288 2.885 1.00 0.00 C ATOM 824 O GLU A 74 0.118 9.743 3.873 1.00 0.00 O ATOM 825 CB GLU A 74 -1.150 10.718 0.900 1.00 0.00 C ATOM 826 CG GLU A 74 -2.467 10.052 0.551 1.00 0.00 C ATOM 827 CD GLU A 74 -3.633 10.615 1.340 1.00 0.00 C ATOM 828 OE1 GLU A 74 -4.159 11.675 0.949 1.00 0.00 O ATOM 829 OE2 GLU A 74 -4.025 10.006 2.354 1.00 0.00 O ATOM 0 H GLU A 74 -0.435 8.495 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 74 0.822 10.400 1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.346 11.521 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.747 11.181 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.661 10.175 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.389 8.981 0.739 1.00 0.00 H new ATOM 836 N GLU A 75 -1.362 8.309 2.954 1.00 0.00 N ATOM 837 CA GLU A 75 -1.722 7.661 4.217 1.00 0.00 C ATOM 838 C GLU A 75 -0.502 7.036 4.863 1.00 0.00 C ATOM 839 O GLU A 75 -0.420 6.924 6.081 1.00 0.00 O ATOM 840 CB GLU A 75 -2.794 6.595 3.987 1.00 0.00 C ATOM 841 CG GLU A 75 -4.209 7.145 3.956 1.00 0.00 C ATOM 842 CD GLU A 75 -4.706 7.520 5.334 1.00 0.00 C ATOM 843 OE1 GLU A 75 -4.353 8.608 5.828 1.00 0.00 O ATOM 844 OE2 GLU A 75 -5.433 6.708 5.944 1.00 0.00 O ATOM 0 H GLU A 75 -1.864 7.947 2.143 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.121 8.423 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.591 6.087 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.723 5.845 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.242 8.021 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.877 6.401 3.521 1.00 0.00 H new ATOM 851 N LEU A 76 0.441 6.627 4.044 1.00 0.00 N ATOM 852 CA LEU A 76 1.710 6.143 4.540 1.00 0.00 C ATOM 853 C LEU A 76 2.389 7.215 5.398 1.00 0.00 C ATOM 854 O LEU A 76 2.883 6.929 6.486 1.00 0.00 O ATOM 855 CB LEU A 76 2.592 5.715 3.356 1.00 0.00 C ATOM 856 CG LEU A 76 4.096 5.855 3.557 1.00 0.00 C ATOM 857 CD1 LEU A 76 4.562 5.002 4.724 1.00 0.00 C ATOM 858 CD2 LEU A 76 4.843 5.481 2.284 1.00 0.00 C ATOM 0 H LEU A 76 0.353 6.620 3.028 1.00 0.00 H new ATOM 0 HA LEU A 76 1.550 5.273 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.372 4.673 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.306 6.304 2.484 1.00 0.00 H new ATOM 0 HG LEU A 76 4.316 6.897 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.639 5.116 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.054 5.321 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.329 3.956 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.916 5.587 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.617 4.448 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.532 6.140 1.473 1.00 0.00 H new ATOM 870 N GLU A 77 2.387 8.446 4.925 1.00 0.00 N ATOM 871 CA GLU A 77 3.050 9.518 5.633 1.00 0.00 C ATOM 872 C GLU A 77 2.171 10.131 6.735 1.00 0.00 C ATOM 873 O GLU A 77 2.590 10.207 7.892 1.00 0.00 O ATOM 874 CB GLU A 77 3.457 10.579 4.616 1.00 0.00 C ATOM 875 CG GLU A 77 3.944 11.866 5.234 1.00 0.00 C ATOM 876 CD GLU A 77 5.244 11.704 5.996 1.00 0.00 C ATOM 877 OE1 GLU A 77 6.128 10.954 5.529 1.00 0.00 O ATOM 878 OE2 GLU A 77 5.402 12.349 7.053 1.00 0.00 O ATOM 0 H GLU A 77 1.934 8.726 4.055 1.00 0.00 H new ATOM 0 HA GLU A 77 3.927 9.113 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.243 10.174 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.605 10.797 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.080 12.610 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.179 12.250 5.909 1.00 0.00 H new ATOM 885 N LYS A 78 0.951 10.538 6.388 1.00 0.00 N ATOM 886 CA LYS A 78 0.056 11.185 7.332 1.00 0.00 C ATOM 887 C LYS A 78 -0.517 10.214 8.356 1.00 0.00 C ATOM 888 O LYS A 78 -0.654 10.554 9.531 1.00 0.00 O ATOM 889 CB LYS A 78 -1.060 11.873 6.560 1.00 0.00 C ATOM 890 CG LYS A 78 -1.782 10.963 5.588 1.00 0.00 C ATOM 891 CD LYS A 78 -2.505 11.764 4.531 1.00 0.00 C ATOM 892 CE LYS A 78 -3.909 12.074 4.967 1.00 0.00 C ATOM 893 NZ LYS A 78 -4.816 10.925 4.704 1.00 0.00 N ATOM 0 H LYS A 78 0.562 10.428 5.451 1.00 0.00 H new ATOM 0 HA LYS A 78 0.631 11.919 7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.782 12.279 7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.643 12.717 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.067 10.291 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.495 10.340 6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.966 12.691 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.524 11.206 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.919 12.313 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.271 12.956 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.768 11.145 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.862 10.746 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.453 10.079 5.187 1.00 0.00 H new ATOM 907 N HIS A 79 -0.864 9.014 7.920 1.00 0.00 N ATOM 908 CA HIS A 79 -1.459 8.042 8.826 1.00 0.00 C ATOM 909 C HIS A 79 -0.376 7.151 9.415 1.00 0.00 C ATOM 910 O HIS A 79 -0.524 6.621 10.517 1.00 0.00 O ATOM 911 CB HIS A 79 -2.523 7.201 8.116 1.00 0.00 C ATOM 912 CG HIS A 79 -3.686 6.819 8.985 1.00 0.00 C ATOM 913 ND1 HIS A 79 -4.990 6.853 8.540 1.00 0.00 N ATOM 914 CD2 HIS A 79 -3.744 6.390 10.270 1.00 0.00 C ATOM 915 CE1 HIS A 79 -5.796 6.464 9.508 1.00 0.00 C ATOM 916 NE2 HIS A 79 -5.066 6.176 10.569 1.00 0.00 N ATOM 0 H HIS A 79 -0.747 8.692 6.959 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.951 8.583 9.634 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.894 7.757 7.255 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.057 6.293 7.733 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.286 7.136 7.606 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.905 6.244 10.935 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.872 6.393 9.444 1.00 0.00 H new ATOM 925 N GLY A 80 0.718 6.989 8.678 1.00 0.00 N ATOM 926 CA GLY A 80 1.856 6.272 9.219 1.00 0.00 C ATOM 927 C GLY A 80 1.875 4.796 8.863 1.00 0.00 C ATOM 928 O GLY A 80 2.492 4.002 9.573 1.00 0.00 O ATOM 0 H GLY A 80 0.836 7.337 7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.773 6.736 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.856 6.375 10.304 1.00 0.00 H new ATOM 932 N ILE A 81 1.201 4.411 7.782 1.00 0.00 N ATOM 933 CA ILE A 81 1.066 3.004 7.449 1.00 0.00 C ATOM 934 C ILE A 81 2.388 2.465 6.894 1.00 0.00 C ATOM 935 O ILE A 81 2.939 3.001 5.943 1.00 0.00 O ATOM 936 CB ILE A 81 -0.096 2.795 6.447 1.00 0.00 C ATOM 937 CG1 ILE A 81 -0.493 1.327 6.387 1.00 0.00 C ATOM 938 CG2 ILE A 81 0.244 3.309 5.056 1.00 0.00 C ATOM 939 CD1 ILE A 81 -1.531 1.035 5.327 1.00 0.00 C ATOM 0 H ILE A 81 0.746 5.050 7.130 1.00 0.00 H new ATOM 0 HA ILE A 81 0.827 2.445 8.354 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.942 3.378 6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.395 0.725 6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.880 1.022 7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.601 3.140 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.460 4.376 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.117 2.779 4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.771 -0.028 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.433 1.612 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.139 1.310 4.348 1.00 0.00 H new ATOM 951 N ASN A 82 2.917 1.425 7.514 1.00 0.00 N ATOM 952 CA ASN A 82 4.248 0.945 7.171 1.00 0.00 C ATOM 953 C ASN A 82 4.211 0.040 5.953 1.00 0.00 C ATOM 954 O ASN A 82 3.578 -1.012 5.965 1.00 0.00 O ATOM 955 CB ASN A 82 4.887 0.218 8.356 1.00 0.00 C ATOM 956 CG ASN A 82 5.167 1.145 9.529 1.00 0.00 C ATOM 957 OD1 ASN A 82 5.141 0.726 10.688 1.00 0.00 O ATOM 958 ND2 ASN A 82 5.431 2.411 9.242 1.00 0.00 N ATOM 0 H ASN A 82 2.451 0.898 8.253 1.00 0.00 H new ATOM 0 HA ASN A 82 4.859 1.814 6.928 1.00 0.00 H new ATOM 0 HB2 ASN A 82 4.228 -0.586 8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.819 -0.245 8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.621 3.075 9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.444 2.722 8.271 1.00 0.00 H new ATOM 965 N ILE A 83 4.897 0.464 4.903 1.00 0.00 N ATOM 966 CA ILE A 83 4.971 -0.291 3.667 1.00 0.00 C ATOM 967 C ILE A 83 6.225 0.124 2.908 1.00 0.00 C ATOM 968 O ILE A 83 6.574 1.304 2.866 1.00 0.00 O ATOM 969 CB ILE A 83 3.711 -0.072 2.791 1.00 0.00 C ATOM 970 CG1 ILE A 83 3.746 -0.940 1.536 1.00 0.00 C ATOM 971 CG2 ILE A 83 3.541 1.394 2.423 1.00 0.00 C ATOM 972 CD1 ILE A 83 3.377 -2.380 1.802 1.00 0.00 C ATOM 0 H ILE A 83 5.417 1.341 4.886 1.00 0.00 H new ATOM 0 HA ILE A 83 5.017 -1.353 3.907 1.00 0.00 H new ATOM 0 HB ILE A 83 2.849 -0.374 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.061 -0.526 0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.745 -0.901 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.649 1.514 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.439 1.988 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.414 1.733 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.421 -2.945 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.077 -2.808 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.367 -2.428 2.208 1.00 0.00 H new ATOM 984 N VAL A 84 6.925 -0.844 2.350 1.00 0.00 N ATOM 985 CA VAL A 84 8.173 -0.574 1.668 1.00 0.00 C ATOM 986 C VAL A 84 8.008 -0.723 0.155 1.00 0.00 C ATOM 987 O VAL A 84 7.161 -1.480 -0.325 1.00 0.00 O ATOM 988 CB VAL A 84 9.292 -1.505 2.196 1.00 0.00 C ATOM 989 CG1 VAL A 84 9.638 -2.606 1.203 1.00 0.00 C ATOM 990 CG2 VAL A 84 10.519 -0.692 2.568 1.00 0.00 C ATOM 0 H VAL A 84 6.649 -1.826 2.356 1.00 0.00 H new ATOM 0 HA VAL A 84 8.461 0.457 1.874 1.00 0.00 H new ATOM 0 HB VAL A 84 8.917 -2.000 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.427 -3.234 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.754 -3.214 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.981 -2.160 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.298 -1.358 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.883 -0.160 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.257 0.027 3.345 1.00 0.00 H new ATOM 1000 N GLU A 85 8.827 0.010 -0.585 1.00 0.00 N ATOM 1001 CA GLU A 85 8.749 0.026 -2.037 1.00 0.00 C ATOM 1002 C GLU A 85 9.598 -1.076 -2.638 1.00 0.00 C ATOM 1003 O GLU A 85 9.348 -1.520 -3.758 1.00 0.00 O ATOM 1004 CB GLU A 85 9.226 1.377 -2.573 1.00 0.00 C ATOM 1005 CG GLU A 85 8.271 2.526 -2.308 1.00 0.00 C ATOM 1006 CD GLU A 85 7.039 2.464 -3.180 1.00 0.00 C ATOM 1007 OE1 GLU A 85 7.188 2.519 -4.419 1.00 0.00 O ATOM 1008 OE2 GLU A 85 5.922 2.364 -2.636 1.00 0.00 O ATOM 0 H GLU A 85 9.559 0.606 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 85 7.709 -0.137 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.192 1.612 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.385 1.293 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.972 2.512 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.787 3.471 -2.480 1.00 0.00 H new ATOM 1015 N ASN A 86 10.625 -1.476 -1.884 1.00 0.00 N ATOM 1016 CA ASN A 86 11.585 -2.508 -2.295 1.00 0.00 C ATOM 1017 C ASN A 86 12.582 -1.920 -3.288 1.00 0.00 C ATOM 1018 O ASN A 86 13.631 -2.498 -3.567 1.00 0.00 O ATOM 1019 CB ASN A 86 10.857 -3.718 -2.894 1.00 0.00 C ATOM 1020 CG ASN A 86 11.735 -4.950 -3.002 1.00 0.00 C ATOM 1021 OD1 ASN A 86 11.798 -5.759 -2.077 1.00 0.00 O ATOM 1022 ND2 ASN A 86 12.400 -5.110 -4.133 1.00 0.00 N ATOM 0 H ASN A 86 10.817 -1.089 -0.960 1.00 0.00 H new ATOM 0 HA ASN A 86 12.132 -2.853 -1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.988 -3.952 -2.279 1.00 0.00 H new ATOM 0 HB3 ASN A 86 10.485 -3.456 -3.885 1.00 0.00 H new ATOM 0 HD21 ASN A 86 12.994 -5.929 -4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.319 -4.415 -4.875 1.00 0.00 H new ATOM 1029 N GLU A 87 12.251 -0.737 -3.771 1.00 0.00 N ATOM 1030 CA GLU A 87 13.099 0.003 -4.689 1.00 0.00 C ATOM 1031 C GLU A 87 14.167 0.741 -3.891 1.00 0.00 C ATOM 1032 O GLU A 87 13.847 1.398 -2.900 1.00 0.00 O ATOM 1033 CB GLU A 87 12.248 1.009 -5.474 1.00 0.00 C ATOM 1034 CG GLU A 87 13.000 1.756 -6.565 1.00 0.00 C ATOM 1035 CD GLU A 87 13.218 0.914 -7.804 1.00 0.00 C ATOM 1036 OE1 GLU A 87 14.210 0.163 -7.856 1.00 0.00 O ATOM 1037 OE2 GLU A 87 12.390 1.000 -8.733 1.00 0.00 O ATOM 0 H GLU A 87 11.381 -0.259 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 87 13.575 -0.683 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.408 0.481 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.830 1.735 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.444 2.654 -6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.965 2.082 -6.178 1.00 0.00 H new ATOM 1044 N PRO A 88 15.445 0.626 -4.279 1.00 0.00 N ATOM 1045 CA PRO A 88 16.527 1.352 -3.618 1.00 0.00 C ATOM 1046 C PRO A 88 16.503 2.842 -3.940 1.00 0.00 C ATOM 1047 O PRO A 88 17.377 3.356 -4.640 1.00 0.00 O ATOM 1048 CB PRO A 88 17.805 0.715 -4.168 1.00 0.00 C ATOM 1049 CG PRO A 88 17.366 -0.487 -4.942 1.00 0.00 C ATOM 1050 CD PRO A 88 15.947 -0.229 -5.359 1.00 0.00 C ATOM 0 HA PRO A 88 16.443 1.284 -2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 88 18.346 1.414 -4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 88 18.480 0.434 -3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 88 18.004 -0.643 -5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.434 -1.388 -4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 88 15.893 0.268 -6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.375 -1.153 -5.443 1.00 0.00 H new ATOM 1058 N GLU A 89 15.495 3.530 -3.428 1.00 0.00 N ATOM 1059 CA GLU A 89 15.396 4.972 -3.584 1.00 0.00 C ATOM 1060 C GLU A 89 16.085 5.669 -2.416 1.00 0.00 C ATOM 1061 O GLU A 89 15.907 6.865 -2.172 1.00 0.00 O ATOM 1062 CB GLU A 89 13.931 5.413 -3.741 1.00 0.00 C ATOM 1063 CG GLU A 89 12.919 4.571 -2.971 1.00 0.00 C ATOM 1064 CD GLU A 89 12.982 4.785 -1.476 1.00 0.00 C ATOM 1065 OE1 GLU A 89 13.773 4.092 -0.805 1.00 0.00 O ATOM 1066 OE2 GLU A 89 12.240 5.655 -0.968 1.00 0.00 O ATOM 0 H GLU A 89 14.731 3.111 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 89 15.909 5.266 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.842 6.449 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.671 5.389 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.915 4.808 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.092 3.517 -3.188 1.00 0.00 H new ATOM 1073 N GLU A 90 16.885 4.888 -1.706 1.00 0.00 N ATOM 1074 CA GLU A 90 17.747 5.393 -0.654 1.00 0.00 C ATOM 1075 C GLU A 90 19.184 5.047 -1.025 1.00 0.00 C ATOM 1076 O GLU A 90 19.750 4.060 -0.544 1.00 0.00 O ATOM 1077 CB GLU A 90 17.365 4.779 0.699 1.00 0.00 C ATOM 1078 CG GLU A 90 18.139 5.355 1.875 1.00 0.00 C ATOM 1079 CD GLU A 90 17.782 4.688 3.188 1.00 0.00 C ATOM 1080 OE1 GLU A 90 18.373 3.630 3.503 1.00 0.00 O ATOM 1081 OE2 GLU A 90 16.910 5.217 3.912 1.00 0.00 O ATOM 0 H GLU A 90 16.953 3.880 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 90 17.636 6.473 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.299 4.931 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.531 3.703 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 90 19.208 5.242 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.940 6.424 1.948 1.00 0.00 H new ATOM 1088 N GLU A 91 19.751 5.847 -1.915 1.00 0.00 N ATOM 1089 CA GLU A 91 21.036 5.534 -2.521 1.00 0.00 C ATOM 1090 C GLU A 91 21.869 6.809 -2.644 1.00 0.00 C ATOM 1091 O GLU A 91 21.321 7.911 -2.714 1.00 0.00 O ATOM 1092 CB GLU A 91 20.793 4.903 -3.902 1.00 0.00 C ATOM 1093 CG GLU A 91 21.787 3.817 -4.294 1.00 0.00 C ATOM 1094 CD GLU A 91 23.177 4.349 -4.555 1.00 0.00 C ATOM 1095 OE1 GLU A 91 23.462 4.750 -5.706 1.00 0.00 O ATOM 1096 OE2 GLU A 91 23.990 4.380 -3.612 1.00 0.00 O ATOM 0 H GLU A 91 19.338 6.723 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 91 21.585 4.827 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.789 4.480 -3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 91 20.821 5.690 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.833 3.072 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 91 21.426 3.308 -5.188 1.00 0.00 H new ATOM 1103 N GLU A 92 23.188 6.658 -2.669 1.00 0.00 N ATOM 1104 CA GLU A 92 24.088 7.798 -2.737 1.00 0.00 C ATOM 1105 C GLU A 92 25.265 7.527 -3.672 1.00 0.00 C ATOM 1106 O GLU A 92 25.259 7.939 -4.832 1.00 0.00 O ATOM 1107 CB GLU A 92 24.617 8.156 -1.346 1.00 0.00 C ATOM 1108 CG GLU A 92 23.550 8.651 -0.385 1.00 0.00 C ATOM 1109 CD GLU A 92 24.129 9.083 0.940 1.00 0.00 C ATOM 1110 OE1 GLU A 92 25.160 9.789 0.938 1.00 0.00 O ATOM 1111 OE2 GLU A 92 23.559 8.726 1.988 1.00 0.00 O ATOM 0 H GLU A 92 23.657 5.753 -2.643 1.00 0.00 H new ATOM 0 HA GLU A 92 23.515 8.637 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 92 25.099 7.278 -0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.384 8.924 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 92 23.017 9.488 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 92 22.819 7.860 -0.219 1.00 0.00 H new ATOM 1118 N ILE A 93 26.266 6.817 -3.164 1.00 0.00 N ATOM 1119 CA ILE A 93 27.516 6.620 -3.889 1.00 0.00 C ATOM 1120 C ILE A 93 27.624 5.186 -4.426 1.00 0.00 C ATOM 1121 O ILE A 93 28.686 4.740 -4.868 1.00 0.00 O ATOM 1122 CB ILE A 93 28.723 6.957 -2.973 1.00 0.00 C ATOM 1123 CG1 ILE A 93 30.027 7.045 -3.777 1.00 0.00 C ATOM 1124 CG2 ILE A 93 28.848 5.932 -1.849 1.00 0.00 C ATOM 1125 CD1 ILE A 93 31.229 7.451 -2.950 1.00 0.00 C ATOM 0 H ILE A 93 26.236 6.367 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 93 27.527 7.295 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 93 28.542 7.936 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 93 30.225 6.077 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 93 29.896 7.763 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 93 29.700 6.186 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 93 27.938 5.937 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 93 28.996 4.940 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 93 32.112 7.491 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.053 8.433 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 93 31.388 6.721 -2.156 1.00 0.00 H new ATOM 1137 N SER A 94 26.497 4.478 -4.386 1.00 0.00 N ATOM 1138 CA SER A 94 26.407 3.099 -4.852 1.00 0.00 C ATOM 1139 C SER A 94 27.402 2.203 -4.121 1.00 0.00 C ATOM 1140 O SER A 94 28.232 1.533 -4.735 1.00 0.00 O ATOM 1141 CB SER A 94 26.610 3.035 -6.368 1.00 0.00 C ATOM 1142 OG SER A 94 25.631 3.820 -7.036 1.00 0.00 O ATOM 0 H SER A 94 25.617 4.848 -4.027 1.00 0.00 H new ATOM 0 HA SER A 94 25.408 2.726 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 94 27.607 3.393 -6.623 1.00 0.00 H new ATOM 0 HB3 SER A 94 26.547 2.001 -6.706 1.00 0.00 H new ATOM 0 HG SER A 94 25.001 4.185 -6.380 1.00 0.00 H new ATOM 1148 N ALA A 95 27.305 2.201 -2.800 1.00 0.00 N ATOM 1149 CA ALA A 95 28.186 1.400 -1.966 1.00 0.00 C ATOM 1150 C ALA A 95 27.471 0.985 -0.687 1.00 0.00 C ATOM 1151 O ALA A 95 27.856 1.382 0.413 1.00 0.00 O ATOM 1152 CB ALA A 95 29.458 2.169 -1.644 1.00 0.00 C ATOM 0 H ALA A 95 26.620 2.749 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 95 28.461 0.499 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.106 1.555 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.977 2.418 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.204 3.086 -1.112 1.00 0.00 H new ATOM 1158 N GLY A 96 26.412 0.208 -0.840 1.00 0.00 N ATOM 1159 CA GLY A 96 25.665 -0.262 0.305 1.00 0.00 C ATOM 1160 C GLY A 96 24.539 -1.182 -0.104 1.00 0.00 C ATOM 1161 O GLY A 96 23.529 -1.254 0.619 1.00 0.00 O ATOM 1162 OXT GLY A 96 24.657 -1.831 -1.167 1.00 0.00 O ATOM 0 H GLY A 96 26.055 -0.107 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 96 26.335 -0.787 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 96 25.259 0.590 0.850 1.00 0.00 H new TER 1166 GLY A 96