USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.23 K(o=0.92,f=-5.4!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -170:sc= 0.689 (180deg=0) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 0.861 K(o=0.95,f=-5.8!) USER MOD Set 2.2: A 6 SER OG : rot -160:sc= 0.0932 USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= -0.0329 (180deg=-0.288) USER MOD Single : A 8 SER OG : rot 60:sc= 1.24 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.366 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.115) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.83! C(o=-2.8!,f=-7.5!) USER MOD Single : A 35 LYS NZ :NH3+ -114:sc= 0.0847 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -81:sc= 1.22 USER MOD Single : A 46 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-6.5!) USER MOD Single : A 50 SER OG : rot -89:sc= 1.28 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= 0.883 USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= -0.04 (180deg=-0.215) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 1.2 (180deg=1.04) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= 1.22 (180deg=0.985) USER MOD Single : A 85 GLN : amide:sc= -2.03! C(o=-2!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 10.763 7.423 -8.932 1.00 0.00 N ATOM 2 CA GLU A 2 10.198 8.752 -8.760 1.00 0.00 C ATOM 3 C GLU A 2 10.231 9.128 -7.293 1.00 0.00 C ATOM 4 O GLU A 2 9.961 8.290 -6.430 1.00 0.00 O ATOM 5 CB GLU A 2 8.764 8.779 -9.281 1.00 0.00 C ATOM 6 CG GLU A 2 8.046 10.097 -9.084 1.00 0.00 C ATOM 7 CD GLU A 2 6.629 10.046 -9.589 1.00 0.00 C ATOM 8 OE1 GLU A 2 5.760 9.483 -8.895 1.00 0.00 O ATOM 9 OE2 GLU A 2 6.353 10.549 -10.704 1.00 0.00 O ATOM 0 HA GLU A 2 10.787 9.473 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.773 8.541 -10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.196 7.993 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.045 10.355 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.588 10.887 -9.604 1.00 0.00 H new ATOM 16 N LEU A 3 10.577 10.359 -7.005 1.00 0.00 N ATOM 17 CA LEU A 3 10.601 10.830 -5.653 1.00 0.00 C ATOM 18 C LEU A 3 9.370 11.615 -5.301 1.00 0.00 C ATOM 19 O LEU A 3 9.039 12.634 -5.920 1.00 0.00 O ATOM 20 CB LEU A 3 11.883 11.581 -5.289 1.00 0.00 C ATOM 21 CG LEU A 3 13.130 10.718 -5.074 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.338 11.597 -4.791 1.00 0.00 C ATOM 23 CD2 LEU A 3 12.903 9.739 -3.916 1.00 0.00 C ATOM 0 H LEU A 3 10.847 11.054 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 3 10.599 9.932 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.096 12.301 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.700 12.152 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 3 13.320 10.147 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.217 10.970 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.509 12.264 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.156 12.188 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.796 9.131 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.694 10.297 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.057 9.092 -4.147 1.00 0.00 H new ATOM 35 N LYS A 4 8.692 11.106 -4.334 1.00 0.00 N ATOM 36 CA LYS A 4 7.494 11.672 -3.800 1.00 0.00 C ATOM 37 C LYS A 4 7.812 12.748 -2.769 1.00 0.00 C ATOM 38 O LYS A 4 8.974 12.968 -2.410 1.00 0.00 O ATOM 39 CB LYS A 4 6.778 10.564 -3.079 1.00 0.00 C ATOM 40 CG LYS A 4 7.631 10.010 -1.954 1.00 0.00 C ATOM 41 CD LYS A 4 7.066 8.781 -1.378 1.00 0.00 C ATOM 42 CE LYS A 4 7.955 8.242 -0.300 1.00 0.00 C ATOM 43 NZ LYS A 4 9.275 7.809 -0.811 1.00 0.00 N ATOM 0 H LYS A 4 8.967 10.241 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 4 6.906 12.112 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.836 10.936 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.533 9.767 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.634 9.805 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.730 10.763 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.076 8.987 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.940 8.032 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.099 9.007 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.463 7.398 0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.741 7.207 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.147 7.271 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.866 8.644 -0.998 1.00 0.00 H new ATOM 57 N HIS A 5 6.778 13.404 -2.303 1.00 0.00 N ATOM 58 CA HIS A 5 6.893 14.294 -1.167 1.00 0.00 C ATOM 59 C HIS A 5 6.193 13.636 0.045 1.00 0.00 C ATOM 60 O HIS A 5 6.346 14.086 1.176 1.00 0.00 O ATOM 61 CB HIS A 5 6.275 15.691 -1.474 1.00 0.00 C ATOM 62 CG HIS A 5 4.778 15.704 -1.625 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.117 15.284 -2.746 1.00 0.00 N ATOM 64 CD2 HIS A 5 3.818 16.040 -0.731 1.00 0.00 C ATOM 65 CE1 HIS A 5 2.815 15.358 -2.513 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.573 15.814 -1.299 1.00 0.00 N ATOM 0 H HIS A 5 5.838 13.339 -2.695 1.00 0.00 H new ATOM 0 HA HIS A 5 7.947 14.457 -0.942 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.550 16.377 -0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.721 16.076 -2.391 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.552 14.968 -3.613 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.993 16.422 0.264 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.051 15.081 -3.224 1.00 0.00 H new ATOM 74 N SER A 6 5.418 12.560 -0.227 1.00 0.00 N ATOM 75 CA SER A 6 4.643 11.839 0.793 1.00 0.00 C ATOM 76 C SER A 6 3.918 10.671 0.133 1.00 0.00 C ATOM 77 O SER A 6 4.117 10.415 -1.061 1.00 0.00 O ATOM 78 CB SER A 6 3.583 12.782 1.378 1.00 0.00 C ATOM 79 OG SER A 6 2.674 13.212 0.366 1.00 0.00 O ATOM 0 H SER A 6 5.317 12.172 -1.165 1.00 0.00 H new ATOM 0 HA SER A 6 5.313 11.483 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.036 12.274 2.172 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.069 13.648 1.829 1.00 0.00 H new ATOM 0 HG SER A 6 2.219 14.029 0.660 1.00 0.00 H new ATOM 85 N ILE A 7 3.064 9.980 0.901 1.00 0.00 N ATOM 86 CA ILE A 7 2.185 8.944 0.354 1.00 0.00 C ATOM 87 C ILE A 7 1.151 9.596 -0.595 1.00 0.00 C ATOM 88 O ILE A 7 0.688 8.989 -1.548 1.00 0.00 O ATOM 89 CB ILE A 7 1.424 8.158 1.490 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.494 7.090 0.886 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.626 9.109 2.391 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.278 6.298 1.914 1.00 0.00 C ATOM 0 H ILE A 7 2.965 10.123 1.906 1.00 0.00 H new ATOM 0 HA ILE A 7 2.807 8.232 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 7 2.175 7.661 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.211 7.576 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.089 6.403 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.114 8.535 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.305 9.822 2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.108 9.647 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.910 5.567 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.419 5.782 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.901 6.973 2.501 1.00 0.00 H new ATOM 104 N SER A 8 0.874 10.872 -0.360 1.00 0.00 N ATOM 105 CA SER A 8 -0.133 11.593 -1.098 1.00 0.00 C ATOM 106 C SER A 8 0.403 11.999 -2.485 1.00 0.00 C ATOM 107 O SER A 8 -0.346 12.460 -3.357 1.00 0.00 O ATOM 108 CB SER A 8 -0.576 12.819 -0.277 1.00 0.00 C ATOM 109 OG SER A 8 -1.727 13.433 -0.824 1.00 0.00 O ATOM 0 H SER A 8 1.347 11.430 0.351 1.00 0.00 H new ATOM 0 HA SER A 8 -1.000 10.954 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.780 12.514 0.749 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.238 13.543 -0.238 1.00 0.00 H new ATOM 0 HG SER A 8 -2.464 12.787 -0.845 1.00 0.00 H new ATOM 115 N ASP A 9 1.704 11.816 -2.687 1.00 0.00 N ATOM 116 CA ASP A 9 2.326 12.104 -3.985 1.00 0.00 C ATOM 117 C ASP A 9 1.981 10.981 -4.947 1.00 0.00 C ATOM 118 O ASP A 9 1.963 11.154 -6.171 1.00 0.00 O ATOM 119 CB ASP A 9 3.834 12.182 -3.844 1.00 0.00 C ATOM 120 CG ASP A 9 4.541 12.826 -5.033 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.690 12.200 -6.090 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.009 13.965 -4.885 1.00 0.00 O ATOM 0 H ASP A 9 2.349 11.472 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 9 1.955 13.059 -4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.075 12.747 -2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.227 11.175 -3.704 1.00 0.00 H new ATOM 127 N TYR A 10 1.679 9.841 -4.378 1.00 0.00 N ATOM 128 CA TYR A 10 1.312 8.684 -5.135 1.00 0.00 C ATOM 129 C TYR A 10 -0.123 8.817 -5.558 1.00 0.00 C ATOM 130 O TYR A 10 -0.953 9.364 -4.823 1.00 0.00 O ATOM 131 CB TYR A 10 1.430 7.394 -4.304 1.00 0.00 C ATOM 132 CG TYR A 10 2.825 6.883 -3.986 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.561 7.372 -2.913 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.387 5.856 -4.744 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.799 6.862 -2.621 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.632 5.339 -4.438 1.00 0.00 C ATOM 137 CZ TYR A 10 5.332 5.851 -3.372 1.00 0.00 C ATOM 138 OH TYR A 10 6.577 5.344 -3.048 1.00 0.00 O ATOM 0 H TYR A 10 1.683 9.695 -3.369 1.00 0.00 H new ATOM 0 HA TYR A 10 1.987 8.620 -5.989 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.909 7.554 -3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.896 6.604 -4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.152 8.163 -2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.840 5.457 -5.585 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.359 7.263 -1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.051 4.540 -5.031 1.00 0.00 H new ATOM 0 HH TYR A 10 6.813 4.630 -3.677 1.00 0.00 H new ATOM 148 N THR A 11 -0.414 8.364 -6.724 1.00 0.00 N ATOM 149 CA THR A 11 -1.756 8.285 -7.170 1.00 0.00 C ATOM 150 C THR A 11 -2.275 6.938 -6.720 1.00 0.00 C ATOM 151 O THR A 11 -1.472 6.112 -6.224 1.00 0.00 O ATOM 152 CB THR A 11 -1.803 8.380 -8.698 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.942 7.373 -9.259 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.350 9.753 -9.157 1.00 0.00 C ATOM 0 H THR A 11 0.277 8.036 -7.399 1.00 0.00 H new ATOM 0 HA THR A 11 -2.359 9.098 -6.765 1.00 0.00 H new ATOM 0 HB THR A 11 -2.827 8.222 -9.035 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.969 7.427 -10.237 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.389 9.804 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.007 10.513 -8.734 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.328 9.930 -8.822 1.00 0.00 H new ATOM 162 N GLU A 12 -3.563 6.681 -6.872 1.00 0.00 N ATOM 163 CA GLU A 12 -4.087 5.384 -6.497 1.00 0.00 C ATOM 164 C GLU A 12 -3.408 4.327 -7.335 1.00 0.00 C ATOM 165 O GLU A 12 -2.932 3.350 -6.818 1.00 0.00 O ATOM 166 CB GLU A 12 -5.596 5.295 -6.691 1.00 0.00 C ATOM 167 CG GLU A 12 -6.180 3.945 -6.279 1.00 0.00 C ATOM 168 CD GLU A 12 -7.645 3.841 -6.568 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.426 4.521 -5.902 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.042 3.113 -7.503 1.00 0.00 O ATOM 0 H GLU A 12 -4.249 7.338 -7.244 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.886 5.229 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.077 6.083 -6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.832 5.481 -7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.652 3.149 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.011 3.790 -5.213 1.00 0.00 H new ATOM 177 N ALA A 13 -3.297 4.607 -8.617 1.00 0.00 N ATOM 178 CA ALA A 13 -2.706 3.699 -9.582 1.00 0.00 C ATOM 179 C ALA A 13 -1.250 3.366 -9.246 1.00 0.00 C ATOM 180 O ALA A 13 -0.876 2.196 -9.235 1.00 0.00 O ATOM 181 CB ALA A 13 -2.810 4.285 -10.980 1.00 0.00 C ATOM 0 H ALA A 13 -3.619 5.484 -9.025 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.265 2.764 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.364 3.596 -11.697 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.859 4.442 -11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.282 5.238 -11.015 1.00 0.00 H new ATOM 187 N GLU A 14 -0.442 4.370 -8.950 1.00 0.00 N ATOM 188 CA GLU A 14 0.972 4.134 -8.642 1.00 0.00 C ATOM 189 C GLU A 14 1.180 3.516 -7.282 1.00 0.00 C ATOM 190 O GLU A 14 2.153 2.785 -7.059 1.00 0.00 O ATOM 191 CB GLU A 14 1.815 5.384 -8.828 1.00 0.00 C ATOM 192 CG GLU A 14 1.988 5.772 -10.281 1.00 0.00 C ATOM 193 CD GLU A 14 2.637 4.671 -11.087 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.814 4.360 -10.835 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.975 4.078 -11.974 1.00 0.00 O ATOM 0 H GLU A 14 -0.729 5.348 -8.915 1.00 0.00 H new ATOM 0 HA GLU A 14 1.319 3.400 -9.370 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.352 6.211 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.796 5.223 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.015 6.011 -10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.595 6.675 -10.345 1.00 0.00 H new ATOM 202 N PHE A 15 0.282 3.773 -6.379 1.00 0.00 N ATOM 203 CA PHE A 15 0.358 3.139 -5.100 1.00 0.00 C ATOM 204 C PHE A 15 -0.152 1.739 -5.230 1.00 0.00 C ATOM 205 O PHE A 15 0.287 0.858 -4.564 1.00 0.00 O ATOM 206 CB PHE A 15 -0.360 3.904 -4.017 1.00 0.00 C ATOM 207 CG PHE A 15 0.107 3.490 -2.671 1.00 0.00 C ATOM 208 CD1 PHE A 15 1.234 4.077 -2.127 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.549 2.511 -1.959 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.693 3.695 -0.898 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.090 2.129 -0.731 1.00 0.00 C ATOM 212 CZ PHE A 15 1.031 2.718 -0.205 1.00 0.00 C ATOM 0 H PHE A 15 -0.504 4.411 -6.503 1.00 0.00 H new ATOM 0 HA PHE A 15 1.401 3.121 -4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.193 4.973 -4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.434 3.737 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.757 4.845 -2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.430 2.043 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.572 4.161 -0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.610 1.363 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.394 2.408 0.764 1.00 0.00 H new ATOM 222 N LEU A 16 -1.076 1.544 -6.097 1.00 0.00 N ATOM 223 CA LEU A 16 -1.586 0.230 -6.381 1.00 0.00 C ATOM 224 C LEU A 16 -0.505 -0.598 -7.062 1.00 0.00 C ATOM 225 O LEU A 16 -0.500 -1.825 -7.022 1.00 0.00 O ATOM 226 CB LEU A 16 -2.870 0.369 -7.184 1.00 0.00 C ATOM 227 CG LEU A 16 -3.718 -0.834 -7.331 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.174 -0.446 -7.242 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.478 -1.491 -8.623 1.00 0.00 C ATOM 0 H LEU A 16 -1.511 2.290 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.844 -0.310 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.473 1.151 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.606 0.718 -8.182 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.464 -1.527 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.795 -1.335 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.369 0.016 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.411 0.262 -8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.114 -2.373 -8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.710 -0.798 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.432 -1.790 -8.690 1.00 0.00 H new ATOM 241 N GLU A 17 0.414 0.086 -7.645 1.00 0.00 N ATOM 242 CA GLU A 17 1.590 -0.535 -8.147 1.00 0.00 C ATOM 243 C GLU A 17 2.525 -0.941 -7.008 1.00 0.00 C ATOM 244 O GLU A 17 3.352 -1.789 -7.216 1.00 0.00 O ATOM 245 CB GLU A 17 2.344 0.324 -9.151 1.00 0.00 C ATOM 246 CG GLU A 17 1.638 0.521 -10.462 1.00 0.00 C ATOM 247 CD GLU A 17 1.310 -0.785 -11.146 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.182 -1.677 -11.203 1.00 0.00 O ATOM 249 OE2 GLU A 17 0.189 -0.921 -11.678 1.00 0.00 O ATOM 0 H GLU A 17 0.373 1.095 -7.788 1.00 0.00 H new ATOM 0 HA GLU A 17 1.251 -1.425 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.532 1.300 -8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.316 -0.132 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.718 1.081 -10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.263 1.125 -11.120 1.00 0.00 H new ATOM 256 N PHE A 18 2.379 -0.325 -5.797 1.00 0.00 N ATOM 257 CA PHE A 18 3.248 -0.657 -4.623 1.00 0.00 C ATOM 258 C PHE A 18 3.120 -2.107 -4.351 1.00 0.00 C ATOM 259 O PHE A 18 4.081 -2.843 -4.357 1.00 0.00 O ATOM 260 CB PHE A 18 2.893 0.181 -3.288 1.00 0.00 C ATOM 261 CG PHE A 18 2.091 -0.534 -2.102 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.691 -0.669 -2.114 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.759 -1.046 -0.984 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.007 -1.289 -1.053 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.065 -1.656 0.060 1.00 0.00 C ATOM 266 CZ PHE A 18 0.701 -1.775 0.020 1.00 0.00 C ATOM 0 H PHE A 18 1.680 0.393 -5.609 1.00 0.00 H new ATOM 0 HA PHE A 18 4.270 -0.382 -4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.832 0.549 -2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.316 1.054 -3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.130 -0.289 -2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.835 -0.967 -0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.069 -1.381 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.609 -2.039 0.910 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.175 -2.252 0.834 1.00 0.00 H new ATOM 276 N VAL A 19 1.904 -2.503 -4.244 1.00 0.00 N ATOM 277 CA VAL A 19 1.551 -3.830 -3.858 1.00 0.00 C ATOM 278 C VAL A 19 1.841 -4.830 -4.966 1.00 0.00 C ATOM 279 O VAL A 19 2.316 -5.928 -4.711 1.00 0.00 O ATOM 280 CB VAL A 19 0.079 -3.873 -3.378 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.871 -3.391 -4.437 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.302 -5.222 -2.822 1.00 0.00 C ATOM 0 H VAL A 19 1.101 -1.901 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 19 2.176 -4.129 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.005 -3.172 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.892 -3.438 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.629 -2.362 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.782 -4.023 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.343 -5.202 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.176 -5.982 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.337 -5.459 -1.971 1.00 0.00 H new ATOM 292 N LYS A 20 1.607 -4.423 -6.189 1.00 0.00 N ATOM 293 CA LYS A 20 1.921 -5.248 -7.329 1.00 0.00 C ATOM 294 C LYS A 20 3.432 -5.422 -7.458 1.00 0.00 C ATOM 295 O LYS A 20 3.925 -6.497 -7.772 1.00 0.00 O ATOM 296 CB LYS A 20 1.335 -4.637 -8.571 1.00 0.00 C ATOM 297 CG LYS A 20 -0.135 -4.893 -8.656 1.00 0.00 C ATOM 298 CD LYS A 20 -0.822 -3.909 -9.535 1.00 0.00 C ATOM 299 CE LYS A 20 -2.241 -4.336 -9.818 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.329 -5.340 -10.899 1.00 0.00 N ATOM 0 H LYS A 20 1.197 -3.518 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 20 1.484 -6.237 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.521 -3.563 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.830 -5.048 -9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.306 -5.900 -9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.569 -4.851 -7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.821 -2.928 -9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.275 -3.809 -10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.681 -4.747 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.832 -3.462 -10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.325 -5.598 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.935 -4.942 -11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.789 -6.187 -10.631 1.00 0.00 H new ATOM 314 N LYS A 21 4.154 -4.353 -7.141 1.00 0.00 N ATOM 315 CA LYS A 21 5.603 -4.330 -7.156 1.00 0.00 C ATOM 316 C LYS A 21 6.125 -5.247 -6.071 1.00 0.00 C ATOM 317 O LYS A 21 7.106 -5.908 -6.256 1.00 0.00 O ATOM 318 CB LYS A 21 6.099 -2.881 -6.969 1.00 0.00 C ATOM 319 CG LYS A 21 7.595 -2.650 -7.089 1.00 0.00 C ATOM 320 CD LYS A 21 7.895 -1.148 -7.194 1.00 0.00 C ATOM 321 CE LYS A 21 7.412 -0.359 -5.981 1.00 0.00 C ATOM 322 NZ LYS A 21 7.583 1.096 -6.172 1.00 0.00 N ATOM 0 H LYS A 21 3.737 -3.465 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 21 5.980 -4.688 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.598 -2.252 -7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.780 -2.537 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.105 -3.070 -6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.980 -3.167 -7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.969 -1.005 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.422 -0.750 -8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.361 -0.581 -5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.964 -0.677 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.726 1.553 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.410 1.272 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.733 1.489 -6.624 1.00 0.00 H new ATOM 336 N ILE A 22 5.412 -5.300 -4.957 1.00 0.00 N ATOM 337 CA ILE A 22 5.745 -6.189 -3.854 1.00 0.00 C ATOM 338 C ILE A 22 5.403 -7.639 -4.217 1.00 0.00 C ATOM 339 O ILE A 22 6.086 -8.578 -3.812 1.00 0.00 O ATOM 340 CB ILE A 22 5.041 -5.768 -2.538 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.449 -4.339 -2.192 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.419 -6.717 -1.399 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.802 -3.774 -0.967 1.00 0.00 C ATOM 0 H ILE A 22 4.585 -4.727 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 22 6.819 -6.114 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 22 3.961 -5.818 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.531 -4.308 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.213 -3.695 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.915 -6.406 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.113 -7.732 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.498 -6.691 -1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.156 -2.756 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.720 -3.766 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.058 -4.388 -0.104 1.00 0.00 H new ATOM 355 N CYS A 23 4.352 -7.817 -4.978 1.00 0.00 N ATOM 356 CA CYS A 23 3.954 -9.135 -5.437 1.00 0.00 C ATOM 357 C CYS A 23 5.030 -9.708 -6.391 1.00 0.00 C ATOM 358 O CYS A 23 5.263 -10.904 -6.427 1.00 0.00 O ATOM 359 CB CYS A 23 2.578 -9.065 -6.120 1.00 0.00 C ATOM 360 SG CYS A 23 1.825 -10.671 -6.474 1.00 0.00 S ATOM 0 H CYS A 23 3.748 -7.060 -5.298 1.00 0.00 H new ATOM 0 HA CYS A 23 3.868 -9.806 -4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.901 -8.494 -5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.679 -8.513 -7.054 1.00 0.00 H new ATOM 0 HG CYS A 23 0.671 -10.493 -7.046 1.00 0.00 H new ATOM 366 N ARG A 24 5.692 -8.832 -7.129 1.00 0.00 N ATOM 367 CA ARG A 24 6.785 -9.221 -8.023 1.00 0.00 C ATOM 368 C ARG A 24 8.175 -8.963 -7.399 1.00 0.00 C ATOM 369 O ARG A 24 9.203 -9.132 -8.050 1.00 0.00 O ATOM 370 CB ARG A 24 6.651 -8.552 -9.390 1.00 0.00 C ATOM 371 CG ARG A 24 6.557 -7.051 -9.368 1.00 0.00 C ATOM 372 CD ARG A 24 6.553 -6.517 -10.769 1.00 0.00 C ATOM 373 NE ARG A 24 6.362 -5.052 -10.814 1.00 0.00 N ATOM 374 CZ ARG A 24 7.089 -4.192 -11.553 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.085 -4.633 -12.324 1.00 0.00 N ATOM 376 NH2 ARG A 24 6.795 -2.896 -11.533 1.00 0.00 N ATOM 0 H ARG A 24 5.492 -7.832 -7.130 1.00 0.00 H new ATOM 0 HA ARG A 24 6.704 -10.298 -8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.508 -8.836 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.763 -8.947 -9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.649 -6.743 -8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.398 -6.634 -8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.495 -6.773 -11.255 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.759 -7.002 -11.337 1.00 0.00 H new ATOM 0 HE ARG A 24 5.618 -4.660 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.301 -5.629 -12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.630 -3.974 -12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.022 -2.557 -10.960 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.342 -2.240 -12.091 1.00 0.00 H new ATOM 390 N ALA A 25 8.186 -8.594 -6.131 1.00 0.00 N ATOM 391 CA ALA A 25 9.409 -8.190 -5.400 1.00 0.00 C ATOM 392 C ALA A 25 10.214 -9.365 -4.852 1.00 0.00 C ATOM 393 O ALA A 25 11.025 -9.175 -3.944 1.00 0.00 O ATOM 394 CB ALA A 25 9.030 -7.281 -4.248 1.00 0.00 C ATOM 0 H ALA A 25 7.343 -8.561 -5.558 1.00 0.00 H new ATOM 0 HA ALA A 25 10.043 -7.678 -6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.929 -6.983 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.528 -6.394 -4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.360 -7.811 -3.571 1.00 0.00 H new ATOM 400 N GLU A 26 10.012 -10.560 -5.409 1.00 0.00 N ATOM 401 CA GLU A 26 10.727 -11.755 -4.956 1.00 0.00 C ATOM 402 C GLU A 26 12.259 -11.551 -4.991 1.00 0.00 C ATOM 403 O GLU A 26 12.972 -12.025 -4.099 1.00 0.00 O ATOM 404 CB GLU A 26 10.291 -13.002 -5.742 1.00 0.00 C ATOM 405 CG GLU A 26 10.381 -12.865 -7.250 1.00 0.00 C ATOM 406 CD GLU A 26 10.140 -14.172 -7.962 1.00 0.00 C ATOM 407 OE1 GLU A 26 11.070 -15.006 -8.006 1.00 0.00 O ATOM 408 OE2 GLU A 26 9.048 -14.378 -8.532 1.00 0.00 O ATOM 0 H GLU A 26 9.359 -10.727 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 26 10.456 -11.924 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.907 -13.845 -5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.262 -13.243 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.651 -12.130 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.366 -12.484 -7.519 1.00 0.00 H new ATOM 415 N GLY A 27 12.726 -10.846 -6.028 1.00 0.00 N ATOM 416 CA GLY A 27 14.113 -10.412 -6.155 1.00 0.00 C ATOM 417 C GLY A 27 15.157 -11.488 -5.942 1.00 0.00 C ATOM 418 O GLY A 27 15.455 -12.282 -6.843 1.00 0.00 O ATOM 0 H GLY A 27 12.139 -10.559 -6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.252 -9.987 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.291 -9.611 -5.438 1.00 0.00 H new ATOM 422 N ALA A 28 15.701 -11.515 -4.751 1.00 0.00 N ATOM 423 CA ALA A 28 16.746 -12.445 -4.400 1.00 0.00 C ATOM 424 C ALA A 28 16.393 -13.173 -3.116 1.00 0.00 C ATOM 425 O ALA A 28 16.374 -14.403 -3.067 1.00 0.00 O ATOM 426 CB ALA A 28 18.069 -11.711 -4.242 1.00 0.00 C ATOM 0 H ALA A 28 15.430 -10.889 -3.993 1.00 0.00 H new ATOM 0 HA ALA A 28 16.845 -13.178 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.851 -12.423 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.328 -11.221 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.978 -10.962 -3.455 1.00 0.00 H new ATOM 432 N THR A 29 16.105 -12.417 -2.088 1.00 0.00 N ATOM 433 CA THR A 29 15.777 -12.960 -0.800 1.00 0.00 C ATOM 434 C THR A 29 14.501 -12.235 -0.309 1.00 0.00 C ATOM 435 O THR A 29 14.146 -11.199 -0.871 1.00 0.00 O ATOM 436 CB THR A 29 16.965 -12.713 0.168 1.00 0.00 C ATOM 437 OG1 THR A 29 18.210 -13.006 -0.509 1.00 0.00 O ATOM 438 CG2 THR A 29 16.879 -13.603 1.390 1.00 0.00 C ATOM 0 H THR A 29 16.092 -11.398 -2.124 1.00 0.00 H new ATOM 0 HA THR A 29 15.596 -14.034 -0.847 1.00 0.00 H new ATOM 0 HB THR A 29 16.923 -11.670 0.481 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.960 -12.848 0.102 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.726 -13.403 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.951 -13.399 1.924 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.898 -14.648 1.081 1.00 0.00 H new ATOM 446 N GLU A 30 13.836 -12.757 0.730 1.00 0.00 N ATOM 447 CA GLU A 30 12.547 -12.203 1.221 1.00 0.00 C ATOM 448 C GLU A 30 12.707 -10.799 1.803 1.00 0.00 C ATOM 449 O GLU A 30 11.734 -10.065 1.993 1.00 0.00 O ATOM 450 CB GLU A 30 11.861 -13.150 2.247 1.00 0.00 C ATOM 451 CG GLU A 30 12.488 -13.215 3.644 1.00 0.00 C ATOM 452 CD GLU A 30 13.937 -13.602 3.640 1.00 0.00 C ATOM 453 OE1 GLU A 30 14.245 -14.797 3.534 1.00 0.00 O ATOM 454 OE2 GLU A 30 14.791 -12.708 3.734 1.00 0.00 O ATOM 0 H GLU A 30 14.164 -13.567 1.256 1.00 0.00 H new ATOM 0 HA GLU A 30 11.896 -12.126 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.821 -12.841 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.853 -14.157 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.383 -12.242 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.932 -13.931 4.249 1.00 0.00 H new ATOM 461 N GLU A 31 13.932 -10.446 2.097 1.00 0.00 N ATOM 462 CA GLU A 31 14.253 -9.139 2.584 1.00 0.00 C ATOM 463 C GLU A 31 14.070 -8.076 1.504 1.00 0.00 C ATOM 464 O GLU A 31 13.810 -6.915 1.799 1.00 0.00 O ATOM 465 CB GLU A 31 15.652 -9.117 3.241 1.00 0.00 C ATOM 466 CG GLU A 31 16.817 -9.713 2.421 1.00 0.00 C ATOM 467 CD GLU A 31 17.183 -8.935 1.177 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.665 -7.796 1.305 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.002 -9.453 0.060 1.00 0.00 O ATOM 0 H GLU A 31 14.737 -11.065 2.003 1.00 0.00 H new ATOM 0 HA GLU A 31 13.544 -8.883 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.899 -8.082 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.592 -9.656 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.696 -9.780 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.555 -10.731 2.132 1.00 0.00 H new ATOM 476 N ASP A 32 14.164 -8.496 0.256 1.00 0.00 N ATOM 477 CA ASP A 32 13.992 -7.604 -0.879 1.00 0.00 C ATOM 478 C ASP A 32 12.511 -7.304 -1.047 1.00 0.00 C ATOM 479 O ASP A 32 12.118 -6.253 -1.566 1.00 0.00 O ATOM 480 CB ASP A 32 14.593 -8.232 -2.140 1.00 0.00 C ATOM 481 CG ASP A 32 14.741 -7.262 -3.298 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.351 -6.188 -3.127 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.337 -7.588 -4.432 1.00 0.00 O ATOM 0 H ASP A 32 14.361 -9.463 -0.001 1.00 0.00 H new ATOM 0 HA ASP A 32 14.518 -6.665 -0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.572 -8.645 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.964 -9.065 -2.454 1.00 0.00 H new ATOM 488 N ASP A 33 11.694 -8.233 -0.565 1.00 0.00 N ATOM 489 CA ASP A 33 10.244 -8.061 -0.525 1.00 0.00 C ATOM 490 C ASP A 33 9.912 -7.160 0.632 1.00 0.00 C ATOM 491 O ASP A 33 9.347 -6.066 0.466 1.00 0.00 O ATOM 492 CB ASP A 33 9.488 -9.385 -0.232 1.00 0.00 C ATOM 493 CG ASP A 33 9.653 -10.520 -1.206 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.587 -11.320 -1.048 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.767 -10.713 -2.069 1.00 0.00 O ATOM 0 H ASP A 33 12.016 -9.126 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 33 9.946 -7.673 -1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.802 -9.739 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.425 -9.155 -0.163 1.00 0.00 H new ATOM 500 N ASN A 34 10.308 -7.615 1.820 1.00 0.00 N ATOM 501 CA ASN A 34 9.926 -6.974 3.066 1.00 0.00 C ATOM 502 C ASN A 34 10.395 -5.546 3.190 1.00 0.00 C ATOM 503 O ASN A 34 9.695 -4.738 3.774 1.00 0.00 O ATOM 504 CB ASN A 34 10.265 -7.818 4.335 1.00 0.00 C ATOM 505 CG ASN A 34 11.750 -7.987 4.686 1.00 0.00 C ATOM 506 OD1 ASN A 34 12.584 -7.126 4.442 1.00 0.00 O ATOM 507 ND2 ASN A 34 12.075 -9.104 5.277 1.00 0.00 N ATOM 0 H ASN A 34 10.901 -8.436 1.940 1.00 0.00 H new ATOM 0 HA ASN A 34 8.838 -6.926 3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.765 -7.360 5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.833 -8.810 4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.044 -9.275 5.547 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.360 -9.806 5.469 1.00 0.00 H new ATOM 514 N LYS A 35 11.539 -5.212 2.607 1.00 0.00 N ATOM 515 CA LYS A 35 12.040 -3.853 2.701 1.00 0.00 C ATOM 516 C LYS A 35 11.101 -2.893 1.990 1.00 0.00 C ATOM 517 O LYS A 35 10.923 -1.758 2.430 1.00 0.00 O ATOM 518 CB LYS A 35 13.467 -3.715 2.149 1.00 0.00 C ATOM 519 CG LYS A 35 13.585 -3.878 0.649 1.00 0.00 C ATOM 520 CD LYS A 35 15.014 -3.750 0.201 1.00 0.00 C ATOM 521 CE LYS A 35 15.104 -3.762 -1.302 1.00 0.00 C ATOM 522 NZ LYS A 35 16.493 -3.722 -1.763 1.00 0.00 N ATOM 0 H LYS A 35 12.127 -5.853 2.074 1.00 0.00 H new ATOM 0 HA LYS A 35 12.081 -3.598 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.855 -2.735 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.102 -4.458 2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.194 -4.852 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.975 -3.125 0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.440 -2.825 0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.604 -4.569 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.618 -4.658 -1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.562 -2.907 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.668 -2.825 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.132 -3.796 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.667 -4.516 -2.411 1.00 0.00 H new ATOM 536 N LEU A 36 10.473 -3.350 0.900 1.00 0.00 N ATOM 537 CA LEU A 36 9.543 -2.498 0.203 1.00 0.00 C ATOM 538 C LEU A 36 8.323 -2.308 1.061 1.00 0.00 C ATOM 539 O LEU A 36 7.897 -1.188 1.292 1.00 0.00 O ATOM 540 CB LEU A 36 9.163 -3.052 -1.177 1.00 0.00 C ATOM 541 CG LEU A 36 10.300 -3.180 -2.199 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.761 -3.692 -3.519 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.011 -1.841 -2.399 1.00 0.00 C ATOM 0 H LEU A 36 10.596 -4.281 0.501 1.00 0.00 H new ATOM 0 HA LEU A 36 10.024 -1.537 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.716 -4.037 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.392 -2.409 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 36 11.027 -3.894 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.577 -3.779 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.303 -4.670 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.014 -2.996 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.812 -1.960 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.298 -1.101 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.431 -1.507 -1.450 1.00 0.00 H new ATOM 555 N VAL A 37 7.823 -3.413 1.598 1.00 0.00 N ATOM 556 CA VAL A 37 6.653 -3.403 2.474 1.00 0.00 C ATOM 557 C VAL A 37 6.863 -2.424 3.627 1.00 0.00 C ATOM 558 O VAL A 37 6.043 -1.554 3.871 1.00 0.00 O ATOM 559 CB VAL A 37 6.388 -4.798 3.090 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.112 -4.774 3.901 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.326 -5.880 2.030 1.00 0.00 C ATOM 0 H VAL A 37 8.214 -4.342 1.441 1.00 0.00 H new ATOM 0 HA VAL A 37 5.803 -3.107 1.860 1.00 0.00 H new ATOM 0 HB VAL A 37 7.224 -5.036 3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.935 -5.760 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.204 -4.041 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.276 -4.503 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.138 -6.843 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.521 -5.657 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.274 -5.918 1.493 1.00 0.00 H new ATOM 571 N ARG A 38 8.005 -2.556 4.266 1.00 0.00 N ATOM 572 CA ARG A 38 8.387 -1.769 5.423 1.00 0.00 C ATOM 573 C ARG A 38 8.362 -0.258 5.183 1.00 0.00 C ATOM 574 O ARG A 38 7.919 0.503 6.053 1.00 0.00 O ATOM 575 CB ARG A 38 9.738 -2.234 5.929 1.00 0.00 C ATOM 576 CG ARG A 38 9.646 -3.557 6.659 1.00 0.00 C ATOM 577 CD ARG A 38 10.984 -4.227 6.809 1.00 0.00 C ATOM 578 NE ARG A 38 11.994 -3.392 7.470 1.00 0.00 N ATOM 579 CZ ARG A 38 12.568 -3.661 8.645 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.097 -4.626 9.426 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.593 -2.935 9.050 1.00 0.00 N ATOM 0 H ARG A 38 8.716 -3.233 3.988 1.00 0.00 H new ATOM 0 HA ARG A 38 7.631 -1.940 6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.426 -2.331 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.154 -1.480 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.212 -3.394 7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.970 -4.220 6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.857 -5.147 7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.350 -4.511 5.822 1.00 0.00 H new ATOM 0 HE ARG A 38 12.281 -2.537 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.288 -5.172 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.545 -4.822 10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.941 -2.174 8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.037 -3.134 9.947 1.00 0.00 H new ATOM 595 N GLU A 39 8.801 0.196 4.014 1.00 0.00 N ATOM 596 CA GLU A 39 8.774 1.628 3.753 1.00 0.00 C ATOM 597 C GLU A 39 7.351 2.082 3.462 1.00 0.00 C ATOM 598 O GLU A 39 6.920 3.157 3.904 1.00 0.00 O ATOM 599 CB GLU A 39 9.738 2.052 2.635 1.00 0.00 C ATOM 600 CG GLU A 39 9.392 1.566 1.238 1.00 0.00 C ATOM 601 CD GLU A 39 10.415 2.014 0.245 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.570 1.551 0.321 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.105 2.861 -0.620 1.00 0.00 O ATOM 0 H GLU A 39 9.167 -0.383 3.258 1.00 0.00 H new ATOM 0 HA GLU A 39 9.126 2.127 4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.787 3.141 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.736 1.692 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.328 0.478 1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.411 1.944 0.950 1.00 0.00 H new ATOM 610 N PHE A 40 6.602 1.238 2.772 1.00 0.00 N ATOM 611 CA PHE A 40 5.233 1.543 2.454 1.00 0.00 C ATOM 612 C PHE A 40 4.371 1.534 3.706 1.00 0.00 C ATOM 613 O PHE A 40 3.466 2.350 3.835 1.00 0.00 O ATOM 614 CB PHE A 40 4.672 0.627 1.377 1.00 0.00 C ATOM 615 CG PHE A 40 5.264 0.834 -0.003 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.055 2.015 -0.698 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.987 -0.169 -0.618 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.563 2.180 -1.977 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.501 -0.010 -1.885 1.00 0.00 C ATOM 620 CZ PHE A 40 6.289 1.161 -2.568 1.00 0.00 C ATOM 0 H PHE A 40 6.928 0.336 2.424 1.00 0.00 H new ATOM 0 HA PHE A 40 5.213 2.551 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.838 -0.408 1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.593 0.774 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.491 2.814 -0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.153 -1.098 -0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.392 3.103 -2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.071 -0.806 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.688 1.287 -3.564 1.00 0.00 H new ATOM 630 N GLU A 41 4.667 0.625 4.638 1.00 0.00 N ATOM 631 CA GLU A 41 4.023 0.584 5.950 1.00 0.00 C ATOM 632 C GLU A 41 4.184 1.900 6.686 1.00 0.00 C ATOM 633 O GLU A 41 3.318 2.295 7.437 1.00 0.00 O ATOM 634 CB GLU A 41 4.598 -0.531 6.809 1.00 0.00 C ATOM 635 CG GLU A 41 4.089 -1.914 6.487 1.00 0.00 C ATOM 636 CD GLU A 41 4.728 -2.963 7.357 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.910 -3.297 7.155 1.00 0.00 O ATOM 638 OE2 GLU A 41 4.053 -3.462 8.290 1.00 0.00 O ATOM 0 H GLU A 41 5.364 -0.107 4.501 1.00 0.00 H new ATOM 0 HA GLU A 41 2.963 0.398 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.683 -0.527 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.378 -0.314 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.007 -1.943 6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.289 -2.140 5.440 1.00 0.00 H new ATOM 645 N ARG A 42 5.294 2.567 6.471 1.00 0.00 N ATOM 646 CA ARG A 42 5.552 3.852 7.106 1.00 0.00 C ATOM 647 C ARG A 42 4.840 4.972 6.378 1.00 0.00 C ATOM 648 O ARG A 42 4.373 5.909 6.995 1.00 0.00 O ATOM 649 CB ARG A 42 7.045 4.117 7.196 1.00 0.00 C ATOM 650 CG ARG A 42 7.778 3.130 8.082 1.00 0.00 C ATOM 651 CD ARG A 42 9.277 3.349 8.034 1.00 0.00 C ATOM 652 NE ARG A 42 9.660 4.715 8.423 1.00 0.00 N ATOM 653 CZ ARG A 42 10.870 5.257 8.206 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.819 4.557 7.584 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.123 6.496 8.605 1.00 0.00 N ATOM 0 H ARG A 42 6.042 2.243 5.858 1.00 0.00 H new ATOM 0 HA ARG A 42 5.155 3.814 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.474 4.083 6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.205 5.125 7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.427 3.231 9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.547 2.113 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.766 2.635 8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.638 3.147 7.026 1.00 0.00 H new ATOM 0 HE ARG A 42 8.959 5.290 8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.628 3.605 7.270 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.736 4.973 7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.399 7.038 9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.042 6.907 8.440 1.00 0.00 H new ATOM 669 N LEU A 43 4.749 4.862 5.075 1.00 0.00 N ATOM 670 CA LEU A 43 4.037 5.852 4.269 1.00 0.00 C ATOM 671 C LEU A 43 2.544 5.779 4.533 1.00 0.00 C ATOM 672 O LEU A 43 1.870 6.797 4.651 1.00 0.00 O ATOM 673 CB LEU A 43 4.321 5.628 2.786 1.00 0.00 C ATOM 674 CG LEU A 43 5.771 5.808 2.359 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.937 5.439 0.896 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.220 7.250 2.609 1.00 0.00 C ATOM 0 H LEU A 43 5.158 4.097 4.538 1.00 0.00 H new ATOM 0 HA LEU A 43 4.390 6.844 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.006 4.618 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.703 6.315 2.208 1.00 0.00 H new ATOM 0 HG LEU A 43 6.399 5.145 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.978 5.572 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.649 4.398 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.303 6.081 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.259 7.366 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.592 7.931 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.130 7.480 3.671 1.00 0.00 H new ATOM 688 N THR A 44 2.046 4.580 4.648 1.00 0.00 N ATOM 689 CA THR A 44 0.647 4.357 4.894 1.00 0.00 C ATOM 690 C THR A 44 0.328 4.488 6.349 1.00 0.00 C ATOM 691 O THR A 44 -0.812 4.834 6.714 1.00 0.00 O ATOM 692 CB THR A 44 0.232 2.969 4.408 1.00 0.00 C ATOM 693 OG1 THR A 44 1.079 1.967 5.003 1.00 0.00 O ATOM 694 CG2 THR A 44 0.369 2.902 2.925 1.00 0.00 C ATOM 0 H THR A 44 2.600 3.727 4.574 1.00 0.00 H new ATOM 0 HA THR A 44 0.091 5.115 4.343 1.00 0.00 H new ATOM 0 HB THR A 44 -0.804 2.786 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.924 1.917 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.073 1.912 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.272 3.655 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.406 3.090 2.647 1.00 0.00 H new ATOM 702 N GLU A 45 1.350 4.207 7.187 1.00 0.00 N ATOM 703 CA GLU A 45 1.229 4.179 8.641 1.00 0.00 C ATOM 704 C GLU A 45 0.178 3.147 8.975 1.00 0.00 C ATOM 705 O GLU A 45 -0.513 3.218 9.991 1.00 0.00 O ATOM 706 CB GLU A 45 0.855 5.565 9.146 1.00 0.00 C ATOM 707 CG GLU A 45 1.858 6.616 8.729 1.00 0.00 C ATOM 708 CD GLU A 45 1.405 7.999 9.017 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.604 8.544 8.232 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.841 8.579 10.022 1.00 0.00 O ATOM 0 H GLU A 45 2.291 3.992 6.857 1.00 0.00 H new ATOM 0 HA GLU A 45 2.167 3.909 9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.130 5.835 8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.782 5.546 10.233 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.801 6.434 9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.054 6.519 7.661 1.00 0.00 H new ATOM 717 N HIS A 46 0.117 2.142 8.113 1.00 0.00 N ATOM 718 CA HIS A 46 -0.933 1.207 8.144 1.00 0.00 C ATOM 719 C HIS A 46 -0.599 -0.022 9.022 1.00 0.00 C ATOM 720 O HIS A 46 0.419 -0.705 8.826 1.00 0.00 O ATOM 721 CB HIS A 46 -1.380 0.818 6.707 1.00 0.00 C ATOM 722 CG HIS A 46 -2.713 0.164 6.689 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.922 -1.097 7.140 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.929 0.697 6.487 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.234 -1.275 7.254 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.892 -0.222 6.855 1.00 0.00 N ATOM 0 H HIS A 46 0.808 1.976 7.382 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.786 1.687 8.623 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.408 1.711 6.083 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.642 0.146 6.269 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.123 1.686 6.099 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.696 -2.176 7.629 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.904 -0.102 6.822 1.00 0.00 H new ATOM 734 N PRO A 47 -1.509 -0.318 9.958 1.00 0.00 N ATOM 735 CA PRO A 47 -1.394 -1.399 10.956 1.00 0.00 C ATOM 736 C PRO A 47 -1.325 -2.769 10.371 1.00 0.00 C ATOM 737 O PRO A 47 -0.684 -3.662 10.907 1.00 0.00 O ATOM 738 CB PRO A 47 -2.691 -1.280 11.738 1.00 0.00 C ATOM 739 CG PRO A 47 -3.592 -0.428 10.949 1.00 0.00 C ATOM 740 CD PRO A 47 -2.744 0.428 10.134 1.00 0.00 C ATOM 0 HA PRO A 47 -0.475 -1.287 11.531 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.134 -2.262 11.902 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.510 -0.844 12.721 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.248 -1.033 10.323 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.232 0.167 11.600 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.212 0.647 9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.561 1.384 10.625 1.00 0.00 H new ATOM 748 N ASP A 48 -1.978 -2.931 9.277 1.00 0.00 N ATOM 749 CA ASP A 48 -2.060 -4.196 8.641 1.00 0.00 C ATOM 750 C ASP A 48 -1.224 -4.128 7.407 1.00 0.00 C ATOM 751 O ASP A 48 -1.335 -4.955 6.558 1.00 0.00 O ATOM 752 CB ASP A 48 -3.499 -4.564 8.203 1.00 0.00 C ATOM 753 CG ASP A 48 -4.530 -4.629 9.299 1.00 0.00 C ATOM 754 OD1 ASP A 48 -5.118 -3.579 9.644 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.830 -5.727 9.780 1.00 0.00 O ATOM 0 H ASP A 48 -2.475 -2.183 8.794 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.725 -4.950 9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.830 -3.834 7.464 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.468 -5.532 7.703 1.00 0.00 H new ATOM 760 N GLY A 49 -0.386 -3.097 7.324 1.00 0.00 N ATOM 761 CA GLY A 49 0.439 -2.840 6.105 1.00 0.00 C ATOM 762 C GLY A 49 1.183 -4.015 5.586 1.00 0.00 C ATOM 763 O GLY A 49 1.249 -4.208 4.380 1.00 0.00 O ATOM 0 H GLY A 49 -0.248 -2.418 8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.214 -2.466 5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.153 -2.048 6.330 1.00 0.00 H new ATOM 767 N SER A 50 1.709 -4.800 6.443 1.00 0.00 N ATOM 768 CA SER A 50 2.384 -5.984 5.975 1.00 0.00 C ATOM 769 C SER A 50 1.401 -7.119 5.741 1.00 0.00 C ATOM 770 O SER A 50 1.404 -7.749 4.679 1.00 0.00 O ATOM 771 CB SER A 50 3.575 -6.364 6.852 1.00 0.00 C ATOM 772 OG SER A 50 3.351 -6.012 8.209 1.00 0.00 O ATOM 0 H SER A 50 1.697 -4.666 7.454 1.00 0.00 H new ATOM 0 HA SER A 50 2.822 -5.757 5.003 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.756 -7.436 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.472 -5.863 6.488 1.00 0.00 H new ATOM 0 HG SER A 50 3.660 -5.095 8.364 1.00 0.00 H new ATOM 778 N ASP A 51 0.510 -7.305 6.706 1.00 0.00 N ATOM 779 CA ASP A 51 -0.512 -8.338 6.665 1.00 0.00 C ATOM 780 C ASP A 51 -1.357 -8.256 5.422 1.00 0.00 C ATOM 781 O ASP A 51 -1.594 -9.247 4.826 1.00 0.00 O ATOM 782 CB ASP A 51 -1.418 -8.313 7.907 1.00 0.00 C ATOM 783 CG ASP A 51 -0.732 -8.768 9.174 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.155 -7.924 9.889 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.771 -9.981 9.496 1.00 0.00 O ATOM 0 H ASP A 51 0.478 -6.734 7.550 1.00 0.00 H new ATOM 0 HA ASP A 51 0.030 -9.284 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.792 -7.299 8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.284 -8.949 7.726 1.00 0.00 H new ATOM 790 N LEU A 52 -1.744 -7.047 5.010 1.00 0.00 N ATOM 791 CA LEU A 52 -2.620 -6.825 3.837 1.00 0.00 C ATOM 792 C LEU A 52 -2.091 -7.465 2.591 1.00 0.00 C ATOM 793 O LEU A 52 -2.841 -8.034 1.822 1.00 0.00 O ATOM 794 CB LEU A 52 -2.789 -5.341 3.514 1.00 0.00 C ATOM 795 CG LEU A 52 -3.509 -4.466 4.517 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.543 -3.047 3.992 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.921 -4.978 4.768 1.00 0.00 C ATOM 0 H LEU A 52 -1.462 -6.185 5.477 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.571 -7.274 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.796 -4.920 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.320 -5.266 2.565 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.976 -4.492 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.060 -2.407 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.524 -2.686 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.070 -3.025 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.419 -4.333 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.481 -4.974 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.875 -5.995 5.159 1.00 0.00 H new ATOM 809 N ILE A 53 -0.797 -7.398 2.425 1.00 0.00 N ATOM 810 CA ILE A 53 -0.162 -7.837 1.188 1.00 0.00 C ATOM 811 C ILE A 53 -0.245 -9.330 1.062 1.00 0.00 C ATOM 812 O ILE A 53 -0.420 -9.899 -0.032 1.00 0.00 O ATOM 813 CB ILE A 53 1.300 -7.366 1.171 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.310 -5.841 1.246 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.048 -7.874 -0.067 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.671 -5.243 1.362 1.00 0.00 C ATOM 0 H ILE A 53 -0.150 -7.043 3.129 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.683 -7.399 0.337 1.00 0.00 H new ATOM 0 HB ILE A 53 1.826 -7.781 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.825 -5.442 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.713 -5.527 2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.078 -7.519 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.040 -8.964 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.558 -7.501 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.588 -4.157 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.154 -5.610 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.267 -5.524 0.494 1.00 0.00 H new ATOM 828 N TYR A 54 -0.185 -9.941 2.174 1.00 0.00 N ATOM 829 CA TYR A 54 -0.205 -11.334 2.261 1.00 0.00 C ATOM 830 C TYR A 54 -1.635 -11.845 2.469 1.00 0.00 C ATOM 831 O TYR A 54 -2.035 -12.856 1.897 1.00 0.00 O ATOM 832 CB TYR A 54 0.720 -11.741 3.390 1.00 0.00 C ATOM 833 CG TYR A 54 2.170 -11.367 3.142 1.00 0.00 C ATOM 834 CD1 TYR A 54 2.951 -12.091 2.254 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.745 -10.277 3.775 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.264 -11.739 2.009 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.055 -9.913 3.537 1.00 0.00 C ATOM 838 CZ TYR A 54 4.811 -10.649 2.652 1.00 0.00 C ATOM 839 OH TYR A 54 6.124 -10.293 2.410 1.00 0.00 O ATOM 0 H TYR A 54 -0.119 -9.468 3.075 1.00 0.00 H new ATOM 0 HA TYR A 54 0.145 -11.784 1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.383 -11.270 4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.650 -12.819 3.537 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.526 -12.944 1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.155 -9.699 4.471 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.860 -12.315 1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.483 -9.059 4.040 1.00 0.00 H new ATOM 0 HH TYR A 54 6.352 -9.502 2.942 1.00 0.00 H new ATOM 849 N TYR A 55 -2.395 -11.125 3.270 1.00 0.00 N ATOM 850 CA TYR A 55 -3.754 -11.477 3.635 1.00 0.00 C ATOM 851 C TYR A 55 -4.608 -10.199 3.756 1.00 0.00 C ATOM 852 O TYR A 55 -4.575 -9.530 4.805 1.00 0.00 O ATOM 853 CB TYR A 55 -3.768 -12.168 5.016 1.00 0.00 C ATOM 854 CG TYR A 55 -2.773 -13.287 5.176 1.00 0.00 C ATOM 855 CD1 TYR A 55 -3.053 -14.554 4.706 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.537 -13.064 5.788 1.00 0.00 C ATOM 857 CE1 TYR A 55 -2.147 -15.576 4.832 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.621 -14.089 5.915 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.933 -15.344 5.433 1.00 0.00 C ATOM 860 OH TYR A 55 -0.023 -16.381 5.563 1.00 0.00 O ATOM 0 H TYR A 55 -2.076 -10.255 3.697 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.152 -12.141 2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.576 -11.418 5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.768 -12.562 5.199 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.004 -14.744 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.296 -12.081 6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.387 -16.561 4.460 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.333 -13.910 6.388 1.00 0.00 H new ATOM 0 HH TYR A 55 0.786 -16.053 6.008 1.00 0.00 H new ATOM 870 N PRO A 56 -5.319 -9.787 2.694 1.00 0.00 N ATOM 871 CA PRO A 56 -6.227 -8.651 2.774 1.00 0.00 C ATOM 872 C PRO A 56 -7.359 -8.976 3.745 1.00 0.00 C ATOM 873 O PRO A 56 -8.120 -9.913 3.496 1.00 0.00 O ATOM 874 CB PRO A 56 -6.751 -8.464 1.345 1.00 0.00 C ATOM 875 CG PRO A 56 -6.419 -9.725 0.624 1.00 0.00 C ATOM 876 CD PRO A 56 -5.271 -10.370 1.350 1.00 0.00 C ATOM 0 HA PRO A 56 -5.748 -7.743 3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.826 -8.284 1.343 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.283 -7.604 0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.281 -10.392 0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.149 -9.516 -0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.380 -11.454 1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.321 -10.159 0.859 1.00 0.00 H new ATOM 884 N ARG A 57 -7.492 -8.119 4.783 1.00 0.00 N ATOM 885 CA ARG A 57 -8.311 -8.329 6.016 1.00 0.00 C ATOM 886 C ARG A 57 -9.333 -9.486 5.999 1.00 0.00 C ATOM 887 O ARG A 57 -8.948 -10.656 5.977 1.00 0.00 O ATOM 888 CB ARG A 57 -8.955 -7.013 6.487 1.00 0.00 C ATOM 889 CG ARG A 57 -7.969 -5.997 7.038 1.00 0.00 C ATOM 890 CD ARG A 57 -8.668 -4.726 7.489 1.00 0.00 C ATOM 891 NE ARG A 57 -7.749 -3.806 8.173 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.912 -2.480 8.278 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.885 -1.857 7.606 1.00 0.00 N ATOM 894 NH2 ARG A 57 -7.055 -1.779 9.014 1.00 0.00 N ATOM 0 H ARG A 57 -7.013 -7.219 4.792 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.577 -8.668 6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.491 -6.565 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.694 -7.238 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.428 -6.433 7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.230 -5.755 6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.105 -4.226 6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.490 -4.982 8.158 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.918 -4.210 8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.513 -2.391 7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.000 -0.847 7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.286 -2.251 9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.166 -0.769 9.103 1.00 0.00 H new ATOM 908 N ASP A 58 -10.599 -9.186 6.081 1.00 0.00 N ATOM 909 CA ASP A 58 -11.595 -10.253 6.057 1.00 0.00 C ATOM 910 C ASP A 58 -12.575 -10.071 4.926 1.00 0.00 C ATOM 911 O ASP A 58 -12.789 -10.959 4.101 1.00 0.00 O ATOM 912 CB ASP A 58 -12.331 -10.368 7.396 1.00 0.00 C ATOM 913 CG ASP A 58 -13.210 -11.598 7.463 1.00 0.00 C ATOM 914 OD1 ASP A 58 -12.720 -12.668 7.896 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.403 -11.530 7.098 1.00 0.00 O ATOM 0 H ASP A 58 -10.972 -8.240 6.163 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.057 -11.186 5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.603 -10.399 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.942 -9.478 7.550 1.00 0.00 H new ATOM 920 N ASP A 59 -13.150 -8.893 4.894 1.00 0.00 N ATOM 921 CA ASP A 59 -14.213 -8.542 3.959 1.00 0.00 C ATOM 922 C ASP A 59 -13.675 -7.947 2.696 1.00 0.00 C ATOM 923 O ASP A 59 -14.423 -7.691 1.760 1.00 0.00 O ATOM 924 CB ASP A 59 -15.145 -7.510 4.591 1.00 0.00 C ATOM 925 CG ASP A 59 -15.816 -7.992 5.834 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.902 -8.602 5.733 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.285 -7.761 6.941 1.00 0.00 O ATOM 0 H ASP A 59 -12.894 -8.133 5.524 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.743 -9.465 3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.574 -6.611 4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.906 -7.227 3.864 1.00 0.00 H new ATOM 932 N ARG A 60 -12.403 -7.704 2.664 1.00 0.00 N ATOM 933 CA ARG A 60 -11.809 -7.054 1.575 1.00 0.00 C ATOM 934 C ARG A 60 -11.567 -8.014 0.447 1.00 0.00 C ATOM 935 O ARG A 60 -11.248 -9.196 0.676 1.00 0.00 O ATOM 936 CB ARG A 60 -10.510 -6.451 2.028 1.00 0.00 C ATOM 937 CG ARG A 60 -9.817 -5.624 0.998 1.00 0.00 C ATOM 938 CD ARG A 60 -10.639 -4.389 0.649 1.00 0.00 C ATOM 939 NE ARG A 60 -10.947 -3.594 1.840 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.956 -2.724 1.972 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.907 -2.638 1.037 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.036 -1.982 3.071 1.00 0.00 N ATOM 0 H ARG A 60 -11.754 -7.960 3.408 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.478 -6.274 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.698 -5.832 2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.842 -7.253 2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.837 -5.321 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.649 -6.219 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.091 -3.776 -0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.566 -4.693 0.164 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.334 -3.715 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.868 -3.239 0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.672 -1.972 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.333 -2.078 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.800 -1.316 3.182 1.00 0.00 H new ATOM 956 N GLU A 61 -11.751 -7.514 -0.748 1.00 0.00 N ATOM 957 CA GLU A 61 -11.462 -8.248 -1.959 1.00 0.00 C ATOM 958 C GLU A 61 -9.990 -8.632 -1.953 1.00 0.00 C ATOM 959 O GLU A 61 -9.124 -7.835 -1.548 1.00 0.00 O ATOM 960 CB GLU A 61 -11.784 -7.385 -3.190 1.00 0.00 C ATOM 961 CG GLU A 61 -11.525 -8.064 -4.540 1.00 0.00 C ATOM 962 CD GLU A 61 -12.217 -9.405 -4.679 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.407 -9.450 -5.060 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.579 -10.438 -4.416 1.00 0.00 O ATOM 0 H GLU A 61 -12.110 -6.574 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.077 -9.147 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.832 -7.089 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.192 -6.471 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.861 -7.405 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.452 -8.202 -4.670 1.00 0.00 H new ATOM 971 N ASP A 62 -9.706 -9.817 -2.387 1.00 0.00 N ATOM 972 CA ASP A 62 -8.362 -10.313 -2.365 1.00 0.00 C ATOM 973 C ASP A 62 -7.681 -9.920 -3.650 1.00 0.00 C ATOM 974 O ASP A 62 -7.652 -10.685 -4.615 1.00 0.00 O ATOM 975 CB ASP A 62 -8.337 -11.839 -2.170 1.00 0.00 C ATOM 976 CG ASP A 62 -6.943 -12.418 -2.000 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.214 -12.595 -2.998 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.563 -12.763 -0.857 1.00 0.00 O ATOM 0 H ASP A 62 -10.393 -10.469 -2.766 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.828 -9.875 -1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.934 -12.093 -1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.814 -12.312 -3.028 1.00 0.00 H new ATOM 983 N SER A 63 -7.273 -8.690 -3.721 1.00 0.00 N ATOM 984 CA SER A 63 -6.584 -8.222 -4.865 1.00 0.00 C ATOM 985 C SER A 63 -5.598 -7.163 -4.430 1.00 0.00 C ATOM 986 O SER A 63 -5.773 -6.584 -3.344 1.00 0.00 O ATOM 987 CB SER A 63 -7.609 -7.640 -5.854 1.00 0.00 C ATOM 988 OG SER A 63 -8.340 -6.569 -5.273 1.00 0.00 O ATOM 0 H SER A 63 -7.411 -7.993 -2.989 1.00 0.00 H new ATOM 0 HA SER A 63 -6.043 -9.031 -5.355 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.095 -7.288 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.298 -8.424 -6.170 1.00 0.00 H new ATOM 0 HG SER A 63 -9.085 -6.324 -5.861 1.00 0.00 H new ATOM 994 N PRO A 64 -4.532 -6.893 -5.235 1.00 0.00 N ATOM 995 CA PRO A 64 -3.613 -5.776 -4.980 1.00 0.00 C ATOM 996 C PRO A 64 -4.412 -4.481 -4.869 1.00 0.00 C ATOM 997 O PRO A 64 -4.101 -3.600 -4.079 1.00 0.00 O ATOM 998 CB PRO A 64 -2.724 -5.768 -6.251 1.00 0.00 C ATOM 999 CG PRO A 64 -2.705 -7.185 -6.667 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.099 -7.693 -6.406 1.00 0.00 C ATOM 0 HA PRO A 64 -3.037 -5.869 -4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.140 -5.127 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.721 -5.399 -6.037 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.441 -7.283 -7.720 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.967 -7.752 -6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.752 -7.538 -7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.105 -8.761 -6.190 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.487 -4.440 -5.630 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.393 -3.322 -5.679 1.00 0.00 C ATOM 1010 C GLU A 65 -7.100 -3.176 -4.341 1.00 0.00 C ATOM 1011 O GLU A 65 -7.124 -2.101 -3.769 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.410 -3.558 -6.779 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.777 -3.960 -8.094 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.784 -4.258 -9.152 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.530 -5.253 -9.016 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.850 -3.507 -10.139 1.00 0.00 O ATOM 0 H GLU A 65 -5.757 -5.207 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.839 -2.407 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.104 -4.337 -6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.995 -2.650 -6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.122 -3.159 -8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.151 -4.838 -7.937 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.634 -4.287 -3.841 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.327 -4.308 -2.571 1.00 0.00 C ATOM 1025 C GLY A 66 -7.439 -3.890 -1.422 1.00 0.00 C ATOM 1026 O GLY A 66 -7.889 -3.244 -0.494 1.00 0.00 O ATOM 0 H GLY A 66 -7.595 -5.192 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.190 -3.643 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.708 -5.312 -2.385 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.185 -4.260 -1.499 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.187 -3.887 -0.503 1.00 0.00 C ATOM 1032 C ILE A 67 -5.029 -2.357 -0.453 1.00 0.00 C ATOM 1033 O ILE A 67 -5.130 -1.743 0.601 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.846 -4.584 -0.838 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.025 -6.105 -0.687 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.699 -4.062 0.034 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.872 -6.927 -1.195 1.00 0.00 C ATOM 0 H ILE A 67 -5.816 -4.833 -2.257 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.511 -4.215 0.484 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.573 -4.354 -1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.182 -6.336 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.929 -6.405 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.776 -4.577 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.577 -2.991 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.927 -4.247 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.087 -7.985 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.726 -6.731 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.967 -6.661 -0.649 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.826 -1.773 -1.606 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.710 -0.324 -1.781 1.00 0.00 C ATOM 1051 C VAL A 68 -6.017 0.370 -1.389 1.00 0.00 C ATOM 1052 O VAL A 68 -6.026 1.450 -0.780 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.366 -0.019 -3.257 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.229 1.477 -3.510 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.089 -0.718 -3.594 1.00 0.00 C ATOM 0 H VAL A 68 -4.733 -2.293 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.918 0.054 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.178 -0.376 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.987 1.648 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.168 1.974 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.433 1.881 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.827 -0.516 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.294 -0.357 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.214 -1.792 -3.453 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.101 -0.280 -1.704 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.417 0.209 -1.415 1.00 0.00 C ATOM 1067 C LYS A 69 -8.647 0.195 0.104 1.00 0.00 C ATOM 1068 O LYS A 69 -9.306 1.079 0.647 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.436 -0.667 -2.167 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.808 -0.061 -2.345 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.672 -0.195 -1.119 1.00 0.00 C ATOM 1072 CE LYS A 69 -12.961 0.578 -1.289 1.00 0.00 C ATOM 1073 NZ LYS A 69 -13.717 0.169 -2.499 1.00 0.00 N ATOM 0 H LYS A 69 -7.093 -1.183 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.537 1.239 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.031 -0.901 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.541 -1.611 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.704 0.995 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.305 -0.541 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.894 -1.247 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.133 0.173 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.586 0.433 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.736 1.643 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.674 0.574 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.226 0.515 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.781 -0.868 -2.534 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.083 -0.793 0.772 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.166 -0.907 2.215 1.00 0.00 C ATOM 1089 C GLU A 70 -7.435 0.285 2.830 1.00 0.00 C ATOM 1090 O GLU A 70 -7.944 0.923 3.770 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.509 -2.217 2.677 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.756 -2.584 4.133 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.188 -2.973 4.390 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.555 -4.121 4.119 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.983 -2.139 4.836 1.00 0.00 O ATOM 0 H GLU A 70 -7.552 -1.542 0.327 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.209 -0.914 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.872 -3.029 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.434 -2.143 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.102 -3.410 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.492 -1.738 4.768 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.261 0.612 2.241 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.428 1.731 2.695 1.00 0.00 C ATOM 1104 C ILE A 71 -6.227 3.014 2.615 1.00 0.00 C ATOM 1105 O ILE A 71 -6.303 3.773 3.598 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.166 1.978 1.795 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.362 0.707 1.487 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.258 3.037 2.423 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.775 0.002 2.668 1.00 0.00 C ATOM 0 H ILE A 71 -5.874 0.107 1.444 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.113 1.469 3.705 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.548 2.336 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.011 0.009 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.553 0.969 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.388 3.195 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.807 3.973 2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.930 2.699 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.230 -0.880 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.093 0.673 3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.574 -0.302 3.345 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.841 3.248 1.436 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.548 4.448 1.192 1.00 0.00 C ATOM 1123 C LYS A 72 -8.695 4.586 2.141 1.00 0.00 C ATOM 1124 O LYS A 72 -8.771 5.554 2.806 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.011 4.576 -0.280 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.307 3.878 -0.670 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.545 3.899 -2.176 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.705 5.325 -2.684 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.069 5.379 -4.108 1.00 0.00 N ATOM 0 H LYS A 72 -6.840 2.593 0.654 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.856 5.272 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.118 5.636 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.216 4.191 -0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.279 2.845 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.144 4.361 -0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.710 3.419 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.438 3.322 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.471 5.832 -2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.773 5.869 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.001 6.360 -4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.420 4.778 -4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.044 5.038 -4.230 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.518 3.553 2.276 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.717 3.653 3.082 1.00 0.00 C ATOM 1145 C GLU A 73 -10.419 3.866 4.541 1.00 0.00 C ATOM 1146 O GLU A 73 -11.172 4.535 5.234 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.631 2.463 2.891 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.251 2.402 1.523 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.064 3.631 1.201 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.105 3.868 1.867 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.716 4.355 0.259 1.00 0.00 O ATOM 0 H GLU A 73 -9.374 2.643 1.838 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.241 4.540 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.066 1.548 3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.422 2.498 3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.465 2.284 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.889 1.521 1.456 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.316 3.327 4.982 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.889 3.468 6.343 1.00 0.00 C ATOM 1160 C TRP A 74 -8.417 4.903 6.564 1.00 0.00 C ATOM 1161 O TRP A 74 -8.953 5.617 7.409 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.776 2.461 6.601 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.269 2.375 7.998 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.864 1.778 9.070 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.026 2.862 8.452 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.040 1.857 10.157 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.906 2.525 9.800 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.007 3.553 7.833 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.786 2.852 10.544 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.895 3.895 8.540 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.783 3.539 9.899 1.00 0.00 C ATOM 0 H TRP A 74 -8.685 2.774 4.402 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.703 3.270 7.040 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.134 1.474 6.306 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.938 2.704 5.948 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.839 1.313 9.061 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.240 1.479 11.083 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.090 3.822 6.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.703 2.580 11.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.097 4.440 8.058 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.892 3.811 10.445 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.486 5.355 5.736 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.942 6.698 5.862 1.00 0.00 C ATOM 1184 C ARG A 75 -7.989 7.764 5.555 1.00 0.00 C ATOM 1185 O ARG A 75 -8.028 8.802 6.212 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.652 6.860 5.039 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.538 5.985 5.592 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.185 6.197 4.946 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.796 7.609 4.888 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.857 8.198 5.651 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.186 7.507 6.565 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.596 9.481 5.483 1.00 0.00 N ATOM 0 H ARG A 75 -7.092 4.810 4.969 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.661 6.849 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.844 6.596 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.338 7.904 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.447 6.170 6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.823 4.940 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.431 5.640 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.202 5.788 3.936 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.280 8.197 4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.379 6.514 6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.477 7.969 7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.104 10.017 4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.886 9.936 6.057 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.872 7.453 4.628 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.982 8.316 4.230 1.00 0.00 C ATOM 1208 C ALA A 76 -10.990 8.464 5.375 1.00 0.00 C ATOM 1209 O ALA A 76 -11.662 9.488 5.497 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.680 7.744 2.969 1.00 0.00 C ATOM 0 H ALA A 76 -8.843 6.573 4.114 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.584 9.303 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.505 8.396 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.962 7.686 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.064 6.747 3.186 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.075 7.445 6.226 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.017 7.449 7.327 1.00 0.00 C ATOM 1218 C ALA A 77 -11.410 8.185 8.474 1.00 0.00 C ATOM 1219 O ALA A 77 -12.070 8.952 9.179 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.391 6.033 7.740 1.00 0.00 C ATOM 0 H ALA A 77 -10.498 6.606 6.169 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.934 7.946 7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.099 6.070 8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.847 5.516 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.495 5.497 8.053 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.123 7.936 8.656 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.359 8.533 9.702 1.00 0.00 C ATOM 1228 C ASN A 78 -9.238 10.031 9.512 1.00 0.00 C ATOM 1229 O ASN A 78 -9.262 10.788 10.470 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.945 7.954 9.766 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.799 6.470 10.071 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.795 5.882 9.695 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.744 5.863 10.730 1.00 0.00 N ATOM 0 H ASN A 78 -9.586 7.302 8.064 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.891 8.316 10.628 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.460 8.149 8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.390 8.508 10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.658 4.870 10.946 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.570 6.381 11.030 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.108 10.447 8.280 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.894 11.843 7.996 1.00 0.00 C ATOM 1242 C GLY A 79 -7.438 12.095 7.702 1.00 0.00 C ATOM 1243 O GLY A 79 -6.960 13.236 7.725 1.00 0.00 O ATOM 0 H GLY A 79 -9.146 9.843 7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.503 12.146 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.211 12.448 8.846 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.733 11.017 7.422 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.348 11.058 7.095 1.00 0.00 C ATOM 1249 C LYS A 80 -5.197 11.432 5.632 1.00 0.00 C ATOM 1250 O LYS A 80 -6.178 11.416 4.881 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.732 9.695 7.325 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.583 9.259 8.784 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.063 7.836 8.833 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.689 7.341 10.242 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.827 7.257 11.184 1.00 0.00 N ATOM 0 H LYS A 80 -7.128 10.076 7.419 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.846 11.794 7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.338 8.953 6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.746 9.682 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.898 9.927 9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.544 9.325 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.820 7.171 8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.186 7.761 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.230 6.356 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.936 8.009 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.470 7.082 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.357 8.152 11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.455 6.478 10.901 1.00 0.00 H new ATOM 1269 N SER A 81 -4.001 11.739 5.236 1.00 0.00 N ATOM 1270 CA SER A 81 -3.696 12.111 3.895 1.00 0.00 C ATOM 1271 C SER A 81 -3.892 10.902 2.966 1.00 0.00 C ATOM 1272 O SER A 81 -3.578 9.757 3.349 1.00 0.00 O ATOM 1273 CB SER A 81 -2.261 12.567 3.882 1.00 0.00 C ATOM 1274 OG SER A 81 -2.035 13.546 4.893 1.00 0.00 O ATOM 0 H SER A 81 -3.190 11.737 5.855 1.00 0.00 H new ATOM 0 HA SER A 81 -4.351 12.908 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.602 11.714 4.041 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.015 12.982 2.905 1.00 0.00 H new ATOM 0 HG SER A 81 -1.097 13.829 4.870 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.385 11.146 1.785 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.696 10.073 0.870 1.00 0.00 C ATOM 1282 C GLY A 82 -3.961 10.215 -0.430 1.00 0.00 C ATOM 1283 O GLY A 82 -3.232 11.191 -0.621 1.00 0.00 O ATOM 0 H GLY A 82 -4.583 12.081 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.440 9.118 1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.769 10.057 0.680 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.151 9.265 -1.327 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.484 9.265 -2.612 1.00 0.00 C ATOM 1289 C PHE A 83 -4.060 10.349 -3.491 1.00 0.00 C ATOM 1290 O PHE A 83 -5.178 10.841 -3.250 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.685 7.932 -3.334 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.499 6.720 -2.474 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.298 6.498 -1.845 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.535 5.808 -2.285 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.123 5.400 -1.045 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.357 4.704 -1.480 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.149 4.501 -0.862 1.00 0.00 C ATOM 0 H PHE A 83 -4.774 8.471 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.422 9.433 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.690 7.911 -3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.987 7.878 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.485 7.195 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.485 5.968 -2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.174 5.239 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.165 4.002 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.003 3.636 -0.232 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.333 10.708 -4.496 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.799 11.657 -5.445 1.00 0.00 C ATOM 1309 C LYS A 84 -4.737 10.946 -6.401 1.00 0.00 C ATOM 1310 O LYS A 84 -4.381 9.952 -7.033 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.629 12.312 -6.154 1.00 0.00 C ATOM 1312 CG LYS A 84 -3.009 13.468 -7.079 1.00 0.00 C ATOM 1313 CD LYS A 84 -1.781 14.255 -7.529 1.00 0.00 C ATOM 1314 CE LYS A 84 -0.899 13.487 -8.508 1.00 0.00 C ATOM 1315 NZ LYS A 84 -1.463 13.438 -9.873 1.00 0.00 N ATOM 0 H LYS A 84 -2.396 10.349 -4.681 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.347 12.461 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.927 12.679 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.105 11.555 -6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.532 13.079 -7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.700 14.135 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.105 15.185 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.190 14.526 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.086 13.952 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.758 12.470 -8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.121 12.585 -10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.501 13.413 -9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.164 14.282 -10.403 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.912 11.466 -6.489 1.00 0.00 N ATOM 1330 CA GLN A 85 -7.041 10.858 -7.212 1.00 0.00 C ATOM 1331 C GLN A 85 -6.973 10.987 -8.738 1.00 0.00 C ATOM 1332 O GLN A 85 -7.961 10.738 -9.432 1.00 0.00 O ATOM 1333 CB GLN A 85 -8.396 11.379 -6.677 1.00 0.00 C ATOM 1334 CG GLN A 85 -8.620 12.905 -6.789 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.736 13.723 -5.857 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.367 13.273 -4.782 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.362 14.893 -6.267 1.00 0.00 N ATOM 0 H GLN A 85 -6.150 12.357 -6.054 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.958 9.790 -7.009 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.197 10.872 -7.215 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.486 11.093 -5.629 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.435 13.216 -7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.665 13.127 -6.572 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.685 15.245 -7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.745 15.463 -5.689 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.838 11.282 -9.240 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.664 11.439 -10.655 1.00 0.00 C ATOM 1348 C GLY A 86 -4.441 12.228 -10.922 1.00 0.00 C ATOM 1349 O GLY A 86 -3.813 12.067 -11.976 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.060 13.008 -10.047 1.00 0.00 O ATOM 0 H GLY A 86 -4.990 11.425 -8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.590 10.462 -11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.532 11.939 -11.085 1.00 0.00 H new TER 1354 GLY A 86