USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 920 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 160:sc= 0.0708 (180deg=0.0143) USER MOD Single : A 17 LYS NZ :NH3+ 148:sc= 0.905 (180deg=-0.433!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.102 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.601 K(o=-0.6,f=-0.00081) USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= 2.32 (180deg=1.32) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0714 X(o=-0.071,f=-0.35) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.011) USER MOD Single : A 47 MET CE :methyl -147:sc= 0 (180deg=-0.668) USER MOD Single : A 50 CYS SG : rot 61:sc= -0.231 USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 1.76 (180deg=1.67) USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= 0.97 (180deg=-0.956!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 174:sc= 0.0654 USER MOD Single : A 65 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -170:sc= 0.542 USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0.567 (180deg=0.548) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -0.0812 K(o=-0.081,f=-1.6!) USER MOD Single : B 70 LYS NZ :NH3+ 160:sc= -0.0862 (180deg=-0.481) USER MOD Single : B 75 THR OG1 : rot -79:sc= 0.841 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 7.483 12.829 -5.258 1.00 0.00 N ATOM 19 CA ALA A 2 8.830 12.409 -5.578 1.00 0.00 C ATOM 20 C ALA A 2 8.822 10.972 -6.055 1.00 0.00 C ATOM 21 O ALA A 2 9.533 10.599 -6.984 1.00 0.00 O ATOM 22 CB ALA A 2 9.734 12.555 -4.362 1.00 0.00 C ATOM 0 HA ALA A 2 9.217 13.045 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.744 12.235 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.753 13.598 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.353 11.937 -3.549 1.00 0.00 H new ATOM 28 N TYR A 3 7.978 10.188 -5.445 1.00 0.00 N ATOM 29 CA TYR A 3 7.915 8.775 -5.731 1.00 0.00 C ATOM 30 C TYR A 3 6.871 8.455 -6.772 1.00 0.00 C ATOM 31 O TYR A 3 5.830 9.126 -6.862 1.00 0.00 O ATOM 32 CB TYR A 3 7.673 7.961 -4.439 1.00 0.00 C ATOM 33 CG TYR A 3 8.818 8.028 -3.437 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.091 9.196 -2.736 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.640 6.930 -3.214 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.137 9.270 -1.849 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.696 6.997 -2.324 1.00 0.00 C ATOM 38 CZ TYR A 3 10.938 8.173 -1.644 1.00 0.00 C ATOM 39 OH TYR A 3 11.991 8.253 -0.761 1.00 0.00 O ATOM 0 H TYR A 3 7.315 10.505 -4.738 1.00 0.00 H new ATOM 0 HA TYR A 3 8.882 8.486 -6.144 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.763 8.323 -3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.499 6.919 -4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.468 10.064 -2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.451 6.009 -3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.329 10.188 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.327 6.135 -2.162 1.00 0.00 H new ATOM 0 HH TYR A 3 12.458 7.392 -0.730 1.00 0.00 H new ATOM 49 N PHE A 4 7.177 7.477 -7.592 1.00 0.00 N ATOM 50 CA PHE A 4 6.236 6.962 -8.567 1.00 0.00 C ATOM 51 C PHE A 4 5.296 5.983 -7.860 1.00 0.00 C ATOM 52 O PHE A 4 5.515 5.641 -6.683 1.00 0.00 O ATOM 53 CB PHE A 4 6.970 6.243 -9.717 1.00 0.00 C ATOM 54 CG PHE A 4 7.999 7.086 -10.420 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.617 8.133 -11.232 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.349 6.833 -10.256 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.561 8.913 -11.870 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.298 7.606 -10.887 1.00 0.00 C ATOM 59 CZ PHE A 4 9.907 8.647 -11.694 1.00 0.00 C ATOM 0 H PHE A 4 8.086 7.013 -7.604 1.00 0.00 H new ATOM 0 HA PHE A 4 5.672 7.790 -8.996 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.457 5.352 -9.320 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.234 5.906 -10.447 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.567 8.345 -11.371 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.664 6.016 -9.623 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.249 9.729 -12.505 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.348 7.394 -10.748 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.649 9.256 -12.190 1.00 0.00 H new ATOM 69 N LEU A 5 4.285 5.509 -8.545 1.00 0.00 N ATOM 70 CA LEU A 5 3.344 4.617 -7.933 1.00 0.00 C ATOM 71 C LEU A 5 3.378 3.253 -8.625 1.00 0.00 C ATOM 72 O LEU A 5 3.404 3.176 -9.855 1.00 0.00 O ATOM 73 CB LEU A 5 1.960 5.250 -7.998 1.00 0.00 C ATOM 74 CG LEU A 5 0.808 4.468 -7.405 1.00 0.00 C ATOM 75 CD1 LEU A 5 1.039 4.183 -5.930 1.00 0.00 C ATOM 76 CD2 LEU A 5 -0.464 5.246 -7.596 1.00 0.00 C ATOM 0 H LEU A 5 4.097 5.728 -9.523 1.00 0.00 H new ATOM 0 HA LEU A 5 3.605 4.451 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.007 6.215 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.729 5.448 -9.045 1.00 0.00 H new ATOM 0 HG LEU A 5 0.732 3.509 -7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.195 3.620 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.952 3.600 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.136 5.124 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.299 4.689 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.379 6.210 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.638 5.404 -8.660 1.00 0.00 H new ATOM 88 N ASP A 6 3.407 2.201 -7.838 1.00 0.00 N ATOM 89 CA ASP A 6 3.450 0.818 -8.366 1.00 0.00 C ATOM 90 C ASP A 6 2.410 -0.029 -7.661 1.00 0.00 C ATOM 91 O ASP A 6 2.109 0.203 -6.490 1.00 0.00 O ATOM 92 CB ASP A 6 4.833 0.172 -8.136 1.00 0.00 C ATOM 93 CG ASP A 6 5.582 -0.163 -9.404 1.00 0.00 C ATOM 94 OD1 ASP A 6 6.094 0.754 -10.092 1.00 0.00 O ATOM 95 OD2 ASP A 6 5.711 -1.365 -9.724 1.00 0.00 O ATOM 0 H ASP A 6 3.402 2.258 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 6 3.251 0.866 -9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.442 0.849 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.703 -0.740 -7.553 1.00 0.00 H new ATOM 100 N PHE A 7 1.856 -0.987 -8.358 1.00 0.00 N ATOM 101 CA PHE A 7 0.879 -1.910 -7.780 1.00 0.00 C ATOM 102 C PHE A 7 1.107 -3.334 -8.234 1.00 0.00 C ATOM 103 O PHE A 7 1.469 -3.576 -9.373 1.00 0.00 O ATOM 104 CB PHE A 7 -0.567 -1.517 -8.122 1.00 0.00 C ATOM 105 CG PHE A 7 -1.203 -0.503 -7.216 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.017 0.847 -7.410 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.015 -0.915 -6.176 1.00 0.00 C ATOM 108 CE1 PHE A 7 -1.623 1.768 -6.586 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.629 0.003 -5.350 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.430 1.347 -5.554 1.00 0.00 C ATOM 0 H PHE A 7 2.061 -1.160 -9.342 1.00 0.00 H new ATOM 0 HA PHE A 7 1.023 -1.845 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.586 -1.128 -9.140 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.180 -2.418 -8.113 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.388 1.188 -8.219 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.171 -1.970 -6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.465 2.824 -6.750 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.265 -0.334 -4.545 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.905 2.070 -4.907 1.00 0.00 H new ATOM 120 N ASP A 8 0.919 -4.248 -7.322 1.00 0.00 N ATOM 121 CA ASP A 8 0.942 -5.688 -7.585 1.00 0.00 C ATOM 122 C ASP A 8 -0.276 -6.074 -8.433 1.00 0.00 C ATOM 123 O ASP A 8 -1.312 -5.426 -8.334 1.00 0.00 O ATOM 124 CB ASP A 8 0.959 -6.436 -6.225 1.00 0.00 C ATOM 125 CG ASP A 8 0.244 -7.772 -6.225 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.765 -8.751 -6.775 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.881 -7.833 -5.685 1.00 0.00 O ATOM 0 H ASP A 8 0.740 -4.021 -6.344 1.00 0.00 H new ATOM 0 HA ASP A 8 1.834 -5.967 -8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.995 -6.595 -5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.504 -5.796 -5.469 1.00 0.00 H new ATOM 132 N GLU A 9 -0.138 -7.097 -9.281 1.00 0.00 N ATOM 133 CA GLU A 9 -1.215 -7.551 -10.170 1.00 0.00 C ATOM 134 C GLU A 9 -2.504 -7.871 -9.391 1.00 0.00 C ATOM 135 O GLU A 9 -3.603 -7.597 -9.866 1.00 0.00 O ATOM 136 CB GLU A 9 -0.757 -8.778 -10.963 1.00 0.00 C ATOM 137 CG GLU A 9 -0.906 -8.669 -12.483 1.00 0.00 C ATOM 138 CD GLU A 9 -2.340 -8.628 -12.977 1.00 0.00 C ATOM 139 OE1 GLU A 9 -3.030 -9.671 -12.916 1.00 0.00 O ATOM 140 OE2 GLU A 9 -2.793 -7.577 -13.474 1.00 0.00 O ATOM 0 H GLU A 9 0.724 -7.635 -9.372 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.442 -6.738 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.290 -8.970 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.324 -9.644 -10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.393 -7.768 -12.821 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.400 -9.516 -12.946 1.00 0.00 H new ATOM 147 N ARG A 10 -2.372 -8.402 -8.187 1.00 0.00 N ATOM 148 CA ARG A 10 -3.542 -8.740 -7.389 1.00 0.00 C ATOM 149 C ARG A 10 -4.108 -7.450 -6.782 1.00 0.00 C ATOM 150 O ARG A 10 -5.324 -7.242 -6.754 1.00 0.00 O ATOM 151 CB ARG A 10 -3.175 -9.725 -6.270 1.00 0.00 C ATOM 152 CG ARG A 10 -2.355 -10.929 -6.715 1.00 0.00 C ATOM 153 CD ARG A 10 -3.114 -11.834 -7.657 1.00 0.00 C ATOM 154 NE ARG A 10 -2.255 -12.908 -8.170 1.00 0.00 N ATOM 155 CZ ARG A 10 -2.468 -14.222 -8.022 1.00 0.00 C ATOM 156 NH1 ARG A 10 -3.427 -14.669 -7.209 1.00 0.00 N ATOM 157 NH2 ARG A 10 -1.685 -15.085 -8.654 1.00 0.00 N ATOM 0 H ARG A 10 -1.477 -8.607 -7.743 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.287 -9.217 -8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.617 -9.188 -5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.094 -10.082 -5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.445 -10.583 -7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.048 -11.499 -5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.970 -12.266 -7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.506 -11.250 -8.489 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.421 -12.628 -8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.007 -14.008 -6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.580 -15.672 -7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.927 -14.747 -9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.840 -16.087 -8.547 1.00 0.00 H new ATOM 171 N ALA A 11 -3.203 -6.579 -6.325 1.00 0.00 N ATOM 172 CA ALA A 11 -3.532 -5.273 -5.726 1.00 0.00 C ATOM 173 C ALA A 11 -4.308 -4.370 -6.685 1.00 0.00 C ATOM 174 O ALA A 11 -5.115 -3.544 -6.251 1.00 0.00 O ATOM 175 CB ALA A 11 -2.276 -4.574 -5.230 1.00 0.00 C ATOM 0 H ALA A 11 -2.200 -6.762 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.184 -5.471 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.544 -3.612 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.789 -5.193 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.594 -4.415 -6.065 1.00 0.00 H new ATOM 181 N LEU A 12 -4.066 -4.540 -7.980 1.00 0.00 N ATOM 182 CA LEU A 12 -4.795 -3.820 -9.024 1.00 0.00 C ATOM 183 C LEU A 12 -6.272 -4.110 -8.885 1.00 0.00 C ATOM 184 O LEU A 12 -7.119 -3.209 -8.786 1.00 0.00 O ATOM 185 CB LEU A 12 -4.340 -4.283 -10.420 1.00 0.00 C ATOM 186 CG LEU A 12 -2.873 -4.082 -10.805 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.616 -4.701 -12.155 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.514 -2.615 -10.853 1.00 0.00 C ATOM 0 H LEU A 12 -3.358 -5.181 -8.339 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.597 -2.754 -8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.565 -5.346 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.952 -3.765 -11.159 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.255 -4.563 -10.047 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.571 -4.557 -12.428 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.837 -5.768 -12.114 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.254 -4.227 -12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.465 -2.506 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.138 -2.112 -11.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.679 -2.168 -9.873 1.00 0.00 H new ATOM 200 N LYS A 13 -6.556 -5.379 -8.783 1.00 0.00 N ATOM 201 CA LYS A 13 -7.903 -5.866 -8.736 1.00 0.00 C ATOM 202 C LYS A 13 -8.518 -5.470 -7.405 1.00 0.00 C ATOM 203 O LYS A 13 -9.699 -5.239 -7.319 1.00 0.00 O ATOM 204 CB LYS A 13 -7.919 -7.394 -8.881 1.00 0.00 C ATOM 205 CG LYS A 13 -6.894 -7.951 -9.874 1.00 0.00 C ATOM 206 CD LYS A 13 -7.055 -7.404 -11.286 1.00 0.00 C ATOM 207 CE LYS A 13 -5.827 -7.740 -12.110 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.929 -7.303 -13.513 1.00 0.00 N ATOM 0 H LYS A 13 -5.848 -6.112 -8.730 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.477 -5.434 -9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.738 -7.841 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.915 -7.706 -9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.891 -7.720 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.980 -9.037 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.944 -7.829 -11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.198 -6.324 -11.253 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.953 -7.274 -11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.664 -8.817 -12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.977 -7.245 -13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.500 -7.987 -14.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.382 -6.368 -13.553 1.00 0.00 H new ATOM 222 N GLU A 14 -7.663 -5.331 -6.388 1.00 0.00 N ATOM 223 CA GLU A 14 -8.084 -4.991 -5.034 1.00 0.00 C ATOM 224 C GLU A 14 -8.797 -3.649 -4.955 1.00 0.00 C ATOM 225 O GLU A 14 -9.854 -3.561 -4.352 1.00 0.00 O ATOM 226 CB GLU A 14 -6.915 -5.016 -4.053 1.00 0.00 C ATOM 227 CG GLU A 14 -6.266 -6.383 -3.854 1.00 0.00 C ATOM 228 CD GLU A 14 -7.168 -7.431 -3.229 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.287 -7.651 -3.710 1.00 0.00 O ATOM 230 OE2 GLU A 14 -6.741 -8.082 -2.267 1.00 0.00 O ATOM 0 H GLU A 14 -6.655 -5.453 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.799 -5.763 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.154 -4.317 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.264 -4.653 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.922 -6.750 -4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.383 -6.262 -3.226 1.00 0.00 H new ATOM 237 N TRP A 15 -8.260 -2.602 -5.580 1.00 0.00 N ATOM 238 CA TRP A 15 -8.946 -1.310 -5.482 1.00 0.00 C ATOM 239 C TRP A 15 -10.191 -1.320 -6.360 1.00 0.00 C ATOM 240 O TRP A 15 -11.134 -0.551 -6.157 1.00 0.00 O ATOM 241 CB TRP A 15 -8.041 -0.070 -5.803 1.00 0.00 C ATOM 242 CG TRP A 15 -7.810 0.255 -7.272 1.00 0.00 C ATOM 243 CD1 TRP A 15 -8.697 0.854 -8.134 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.611 0.076 -8.017 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.139 0.994 -9.369 1.00 0.00 N ATOM 246 CE2 TRP A 15 -6.860 0.537 -9.329 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.361 -0.442 -7.719 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -5.903 0.491 -10.328 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.412 -0.478 -8.712 1.00 0.00 C ATOM 250 CH2 TRP A 15 -4.687 -0.016 -10.001 1.00 0.00 C ATOM 0 H TRP A 15 -7.401 -2.613 -6.131 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.227 -1.190 -4.436 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.485 0.805 -5.328 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.070 -0.229 -5.334 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.696 1.169 -7.870 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.606 1.379 -10.190 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.138 -0.809 -6.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.115 0.844 -11.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.431 -0.872 -8.491 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.915 -0.063 -10.755 1.00 0.00 H new ATOM 261 N ARG A 16 -10.194 -2.204 -7.332 1.00 0.00 N ATOM 262 CA ARG A 16 -11.290 -2.283 -8.272 1.00 0.00 C ATOM 263 C ARG A 16 -12.450 -3.123 -7.732 1.00 0.00 C ATOM 264 O ARG A 16 -13.555 -3.083 -8.265 1.00 0.00 O ATOM 265 CB ARG A 16 -10.788 -2.793 -9.617 1.00 0.00 C ATOM 266 CG ARG A 16 -9.599 -1.986 -10.100 1.00 0.00 C ATOM 267 CD ARG A 16 -9.119 -2.375 -11.474 1.00 0.00 C ATOM 268 NE ARG A 16 -10.112 -2.069 -12.504 1.00 0.00 N ATOM 269 CZ ARG A 16 -9.906 -1.271 -13.558 1.00 0.00 C ATOM 270 NH1 ARG A 16 -8.696 -0.757 -13.785 1.00 0.00 N ATOM 271 NH2 ARG A 16 -10.902 -1.009 -14.398 1.00 0.00 N ATOM 0 H ARG A 16 -9.448 -2.880 -7.493 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.689 -1.279 -8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.507 -3.842 -9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.591 -2.738 -10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.866 -0.929 -10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.779 -2.105 -9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.191 -1.849 -11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.894 -3.441 -11.492 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.033 -2.497 -12.411 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.924 -0.972 -13.154 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.543 -0.149 -14.590 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.824 -1.416 -14.239 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.745 -0.401 -15.201 1.00 0.00 H new ATOM 285 N LYS A 17 -12.203 -3.859 -6.669 1.00 0.00 N ATOM 286 CA LYS A 17 -13.240 -4.672 -6.043 1.00 0.00 C ATOM 287 C LYS A 17 -13.790 -3.997 -4.792 1.00 0.00 C ATOM 288 O LYS A 17 -14.697 -4.520 -4.133 1.00 0.00 O ATOM 289 CB LYS A 17 -12.729 -6.118 -5.768 1.00 0.00 C ATOM 290 CG LYS A 17 -11.411 -6.201 -4.992 1.00 0.00 C ATOM 291 CD LYS A 17 -11.558 -6.186 -3.474 1.00 0.00 C ATOM 292 CE LYS A 17 -11.826 -7.581 -2.935 1.00 0.00 C ATOM 293 NZ LYS A 17 -10.758 -8.531 -3.349 1.00 0.00 N ATOM 0 H LYS A 17 -11.292 -3.915 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.073 -4.761 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.495 -6.659 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.605 -6.631 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.892 -7.114 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.778 -5.365 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.650 -5.787 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.374 -5.521 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.886 -7.548 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.791 -7.935 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.629 -9.251 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.031 -8.994 -4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.867 -8.013 -3.487 1.00 0.00 H new ATOM 307 N LEU A 18 -13.262 -2.834 -4.473 1.00 0.00 N ATOM 308 CA LEU A 18 -13.725 -2.100 -3.320 1.00 0.00 C ATOM 309 C LEU A 18 -14.410 -0.801 -3.723 1.00 0.00 C ATOM 310 O LEU A 18 -14.411 -0.431 -4.908 1.00 0.00 O ATOM 311 CB LEU A 18 -12.614 -1.924 -2.243 1.00 0.00 C ATOM 312 CG LEU A 18 -11.268 -1.322 -2.676 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.360 0.161 -2.972 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.198 -1.597 -1.641 1.00 0.00 C ATOM 0 H LEU A 18 -12.514 -2.379 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.492 -2.701 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.018 -1.297 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.415 -2.903 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.990 -1.813 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.381 0.533 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.075 0.328 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.691 0.691 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.254 -1.162 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.490 -1.154 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.078 -2.673 -1.519 1.00 0.00 H new ATOM 326 N GLY A 19 -14.992 -0.137 -2.754 1.00 0.00 N ATOM 327 CA GLY A 19 -15.762 1.059 -2.991 1.00 0.00 C ATOM 328 C GLY A 19 -14.975 2.241 -3.526 1.00 0.00 C ATOM 329 O GLY A 19 -13.773 2.391 -3.257 1.00 0.00 O ATOM 0 H GLY A 19 -14.944 -0.413 -1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.559 0.825 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.240 1.355 -2.057 1.00 0.00 H new ATOM 333 N SER A 20 -15.671 3.086 -4.249 1.00 0.00 N ATOM 334 CA SER A 20 -15.133 4.273 -4.860 1.00 0.00 C ATOM 335 C SER A 20 -14.520 5.227 -3.829 1.00 0.00 C ATOM 336 O SER A 20 -13.372 5.646 -3.967 1.00 0.00 O ATOM 337 CB SER A 20 -16.261 4.935 -5.631 1.00 0.00 C ATOM 338 OG SER A 20 -17.463 4.856 -4.870 1.00 0.00 O ATOM 0 H SER A 20 -16.666 2.958 -4.433 1.00 0.00 H new ATOM 0 HA SER A 20 -14.317 4.007 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.014 5.977 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.395 4.444 -6.595 1.00 0.00 H new ATOM 0 HG SER A 20 -18.192 5.284 -5.365 1.00 0.00 H new ATOM 344 N THR A 21 -15.262 5.520 -2.780 1.00 0.00 N ATOM 345 CA THR A 21 -14.799 6.425 -1.757 1.00 0.00 C ATOM 346 C THR A 21 -13.611 5.806 -1.011 1.00 0.00 C ATOM 347 O THR A 21 -12.679 6.501 -0.622 1.00 0.00 O ATOM 348 CB THR A 21 -15.936 6.759 -0.775 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.111 7.082 -1.537 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.565 7.960 0.091 1.00 0.00 C ATOM 0 H THR A 21 -16.194 5.139 -2.617 1.00 0.00 H new ATOM 0 HA THR A 21 -14.475 7.352 -2.230 1.00 0.00 H new ATOM 0 HB THR A 21 -16.113 5.901 -0.126 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.848 7.296 -0.927 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.382 8.179 0.778 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.663 7.734 0.660 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.384 8.826 -0.546 1.00 0.00 H new ATOM 358 N VAL A 22 -13.638 4.487 -0.855 1.00 0.00 N ATOM 359 CA VAL A 22 -12.542 3.775 -0.219 1.00 0.00 C ATOM 360 C VAL A 22 -11.266 3.922 -1.045 1.00 0.00 C ATOM 361 O VAL A 22 -10.218 4.283 -0.503 1.00 0.00 O ATOM 362 CB VAL A 22 -12.860 2.267 0.019 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.643 1.535 0.572 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.019 2.113 0.985 1.00 0.00 C ATOM 0 H VAL A 22 -14.408 3.892 -1.161 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.397 4.227 0.762 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.130 1.830 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.890 0.485 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.819 1.611 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.348 1.984 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.226 1.054 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.762 2.575 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.903 2.600 0.573 1.00 0.00 H new ATOM 374 N ARG A 23 -11.371 3.709 -2.368 1.00 0.00 N ATOM 375 CA ARG A 23 -10.193 3.786 -3.228 1.00 0.00 C ATOM 376 C ARG A 23 -9.634 5.202 -3.221 1.00 0.00 C ATOM 377 O ARG A 23 -8.433 5.389 -3.243 1.00 0.00 O ATOM 378 CB ARG A 23 -10.462 3.337 -4.696 1.00 0.00 C ATOM 379 CG ARG A 23 -11.049 4.417 -5.593 1.00 0.00 C ATOM 380 CD ARG A 23 -11.191 3.973 -7.022 1.00 0.00 C ATOM 381 NE ARG A 23 -11.470 5.111 -7.903 1.00 0.00 N ATOM 382 CZ ARG A 23 -11.888 5.018 -9.175 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.077 3.815 -9.740 1.00 0.00 N ATOM 384 NH2 ARG A 23 -12.122 6.125 -9.874 1.00 0.00 N ATOM 0 H ARG A 23 -12.242 3.487 -2.850 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.467 3.086 -2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.526 2.990 -5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.142 2.485 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.026 4.710 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.413 5.301 -5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.276 3.476 -7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.996 3.242 -7.101 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.336 6.047 -7.519 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.903 2.966 -9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.395 3.750 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.984 7.039 -9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.440 6.060 -10.841 1.00 0.00 H new ATOM 398 N GLU A 24 -10.520 6.193 -3.156 1.00 0.00 N ATOM 399 CA GLU A 24 -10.099 7.570 -3.171 1.00 0.00 C ATOM 400 C GLU A 24 -9.379 7.953 -1.910 1.00 0.00 C ATOM 401 O GLU A 24 -8.389 8.662 -1.966 1.00 0.00 O ATOM 402 CB GLU A 24 -11.242 8.522 -3.476 1.00 0.00 C ATOM 403 CG GLU A 24 -11.768 8.389 -4.896 1.00 0.00 C ATOM 404 CD GLU A 24 -10.667 8.512 -5.932 1.00 0.00 C ATOM 405 OE1 GLU A 24 -9.772 9.376 -5.782 1.00 0.00 O ATOM 406 OE2 GLU A 24 -10.661 7.719 -6.912 1.00 0.00 O ATOM 0 H GLU A 24 -11.529 6.057 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.386 7.664 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.056 8.339 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.906 9.546 -3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.264 7.425 -5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.520 9.157 -5.076 1.00 0.00 H new ATOM 413 N GLN A 25 -9.851 7.461 -0.779 1.00 0.00 N ATOM 414 CA GLN A 25 -9.192 7.701 0.495 1.00 0.00 C ATOM 415 C GLN A 25 -7.792 7.104 0.482 1.00 0.00 C ATOM 416 O GLN A 25 -6.844 7.706 0.986 1.00 0.00 O ATOM 417 CB GLN A 25 -9.993 7.103 1.631 1.00 0.00 C ATOM 418 CG GLN A 25 -11.334 7.751 1.864 1.00 0.00 C ATOM 419 CD GLN A 25 -12.131 7.020 2.916 1.00 0.00 C ATOM 420 OE1 GLN A 25 -12.029 7.304 4.105 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.931 6.084 2.489 1.00 0.00 N ATOM 0 H GLN A 25 -10.693 6.889 -0.715 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.121 8.778 0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.147 6.043 1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.407 7.173 2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.189 8.787 2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.896 7.771 0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.988 5.877 1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.500 5.558 3.152 1.00 0.00 H new ATOM 430 N LEU A 26 -7.670 5.936 -0.126 1.00 0.00 N ATOM 431 CA LEU A 26 -6.388 5.258 -0.261 1.00 0.00 C ATOM 432 C LEU A 26 -5.449 6.082 -1.139 1.00 0.00 C ATOM 433 O LEU A 26 -4.276 6.226 -0.842 1.00 0.00 O ATOM 434 CB LEU A 26 -6.592 3.865 -0.846 1.00 0.00 C ATOM 435 CG LEU A 26 -7.456 2.916 -0.010 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.744 1.652 -0.776 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.772 2.585 1.308 1.00 0.00 C ATOM 0 H LEU A 26 -8.454 5.431 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.934 5.154 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.046 3.967 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.615 3.405 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.399 3.418 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.359 0.989 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.276 1.897 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.806 1.153 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.403 1.910 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.813 2.105 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.609 3.502 1.874 1.00 0.00 H new ATOM 449 N LYS A 27 -6.005 6.667 -2.190 1.00 0.00 N ATOM 450 CA LYS A 27 -5.268 7.535 -3.100 1.00 0.00 C ATOM 451 C LYS A 27 -4.807 8.805 -2.389 1.00 0.00 C ATOM 452 O LYS A 27 -3.775 9.363 -2.714 1.00 0.00 O ATOM 453 CB LYS A 27 -6.113 7.855 -4.339 1.00 0.00 C ATOM 454 CG LYS A 27 -6.320 6.648 -5.259 1.00 0.00 C ATOM 455 CD LYS A 27 -7.406 6.879 -6.311 1.00 0.00 C ATOM 456 CE LYS A 27 -7.132 8.085 -7.198 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.228 8.294 -8.166 1.00 0.00 N ATOM 0 H LYS A 27 -6.988 6.552 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.374 7.008 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.085 8.231 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.631 8.654 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.380 6.414 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.585 5.779 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.494 5.989 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.365 7.014 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.014 8.975 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.193 7.941 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.330 9.310 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.010 7.792 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.116 7.927 -7.769 1.00 0.00 H new ATOM 471 N LYS A 28 -5.572 9.241 -1.407 1.00 0.00 N ATOM 472 CA LYS A 28 -5.179 10.374 -0.586 1.00 0.00 C ATOM 473 C LYS A 28 -3.994 9.993 0.303 1.00 0.00 C ATOM 474 O LYS A 28 -3.085 10.792 0.538 1.00 0.00 O ATOM 475 CB LYS A 28 -6.348 10.904 0.277 1.00 0.00 C ATOM 476 CG LYS A 28 -7.217 12.056 -0.301 1.00 0.00 C ATOM 477 CD LYS A 28 -8.088 11.706 -1.524 1.00 0.00 C ATOM 478 CE LYS A 28 -7.309 11.643 -2.836 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.203 11.408 -4.000 1.00 0.00 N ATOM 0 H LYS A 28 -6.471 8.828 -1.157 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.884 11.179 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.008 10.065 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.935 11.242 1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.870 12.422 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.556 12.879 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.570 10.744 -1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.881 12.448 -1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.763 12.576 -2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.568 10.846 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.636 11.372 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.705 10.506 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.894 12.182 -4.069 1.00 0.00 H new ATOM 493 N LYS A 29 -3.983 8.767 0.774 1.00 0.00 N ATOM 494 CA LYS A 29 -2.890 8.305 1.616 1.00 0.00 C ATOM 495 C LYS A 29 -1.641 8.094 0.766 1.00 0.00 C ATOM 496 O LYS A 29 -0.523 8.188 1.242 1.00 0.00 O ATOM 497 CB LYS A 29 -3.275 7.026 2.374 1.00 0.00 C ATOM 498 CG LYS A 29 -4.571 7.149 3.179 1.00 0.00 C ATOM 499 CD LYS A 29 -4.533 8.324 4.150 1.00 0.00 C ATOM 500 CE LYS A 29 -5.864 8.492 4.873 1.00 0.00 C ATOM 501 NZ LYS A 29 -5.863 9.671 5.757 1.00 0.00 N ATOM 0 H LYS A 29 -4.709 8.073 0.594 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.676 9.067 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.379 6.209 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.463 6.757 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.412 7.271 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.742 6.226 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.738 8.169 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.294 9.239 3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.666 8.588 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.074 7.598 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.786 9.751 6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.115 9.568 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.688 10.527 5.193 1.00 0.00 H new ATOM 515 N LEU A 30 -1.855 7.849 -0.498 1.00 0.00 N ATOM 516 CA LEU A 30 -0.777 7.698 -1.432 1.00 0.00 C ATOM 517 C LEU A 30 -0.207 9.054 -1.846 1.00 0.00 C ATOM 518 O LEU A 30 0.986 9.184 -2.044 1.00 0.00 O ATOM 519 CB LEU A 30 -1.214 6.882 -2.647 1.00 0.00 C ATOM 520 CG LEU A 30 -1.595 5.419 -2.373 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.095 4.745 -3.637 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.415 4.649 -1.795 1.00 0.00 C ATOM 0 H LEU A 30 -2.783 7.749 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 30 0.021 7.148 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.068 7.380 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.406 6.896 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.401 5.416 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.358 3.710 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.974 5.273 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.312 4.767 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.710 3.616 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.414 4.668 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.103 5.111 -0.858 1.00 0.00 H new ATOM 534 N VAL A 31 -1.042 10.084 -1.915 1.00 0.00 N ATOM 535 CA VAL A 31 -0.559 11.406 -2.321 1.00 0.00 C ATOM 536 C VAL A 31 0.340 12.016 -1.231 1.00 0.00 C ATOM 537 O VAL A 31 1.147 12.906 -1.500 1.00 0.00 O ATOM 538 CB VAL A 31 -1.711 12.402 -2.745 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.541 12.879 -1.571 1.00 0.00 C ATOM 540 CG2 VAL A 31 -1.169 13.589 -3.530 1.00 0.00 C ATOM 0 H VAL A 31 -2.038 10.037 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 31 0.036 11.250 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.373 11.830 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.315 13.560 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.006 12.023 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.900 13.398 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.991 14.250 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.453 14.135 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.675 13.232 -4.434 1.00 0.00 H new ATOM 550 N GLU A 32 0.221 11.522 0.000 1.00 0.00 N ATOM 551 CA GLU A 32 1.087 11.997 1.058 1.00 0.00 C ATOM 552 C GLU A 32 2.305 11.100 1.159 1.00 0.00 C ATOM 553 O GLU A 32 3.389 11.529 1.552 1.00 0.00 O ATOM 554 CB GLU A 32 0.348 12.114 2.407 1.00 0.00 C ATOM 555 CG GLU A 32 -0.296 10.830 2.893 1.00 0.00 C ATOM 556 CD GLU A 32 -0.926 10.964 4.254 1.00 0.00 C ATOM 557 OE1 GLU A 32 -2.054 11.486 4.358 1.00 0.00 O ATOM 558 OE2 GLU A 32 -0.311 10.562 5.250 1.00 0.00 O ATOM 0 H GLU A 32 -0.453 10.809 0.278 1.00 0.00 H new ATOM 0 HA GLU A 32 1.414 13.006 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.053 12.459 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.423 12.879 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.056 10.518 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.456 10.042 2.923 1.00 0.00 H new ATOM 565 N VAL A 33 2.141 9.875 0.715 1.00 0.00 N ATOM 566 CA VAL A 33 3.182 8.895 0.813 1.00 0.00 C ATOM 567 C VAL A 33 4.242 9.128 -0.264 1.00 0.00 C ATOM 568 O VAL A 33 5.416 8.872 -0.061 1.00 0.00 O ATOM 569 CB VAL A 33 2.603 7.453 0.743 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.567 6.854 -0.661 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.310 6.576 1.690 1.00 0.00 C ATOM 0 H VAL A 33 1.283 9.537 0.278 1.00 0.00 H new ATOM 0 HA VAL A 33 3.664 9.003 1.785 1.00 0.00 H new ATOM 0 HB VAL A 33 1.556 7.530 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.149 5.848 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.947 7.476 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.579 6.809 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.896 5.569 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.370 6.548 1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.188 6.961 2.703 1.00 0.00 H new ATOM 581 N LEU A 34 3.816 9.685 -1.390 1.00 0.00 N ATOM 582 CA LEU A 34 4.718 9.974 -2.500 1.00 0.00 C ATOM 583 C LEU A 34 5.594 11.179 -2.184 1.00 0.00 C ATOM 584 O LEU A 34 6.511 11.518 -2.950 1.00 0.00 O ATOM 585 CB LEU A 34 3.927 10.208 -3.793 1.00 0.00 C ATOM 586 CG LEU A 34 3.051 9.041 -4.267 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.287 9.418 -5.523 1.00 0.00 C ATOM 588 CD2 LEU A 34 3.885 7.798 -4.515 1.00 0.00 C ATOM 0 H LEU A 34 2.845 9.948 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 34 5.366 9.109 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.289 11.081 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.632 10.453 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 34 2.335 8.821 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.672 8.576 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.648 10.276 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.992 9.673 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.238 6.987 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.631 8.007 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.385 7.505 -3.592 1.00 0.00 H new ATOM 600 N GLU A 35 5.286 11.824 -1.077 1.00 0.00 N ATOM 601 CA GLU A 35 6.033 12.936 -0.580 1.00 0.00 C ATOM 602 C GLU A 35 6.995 12.448 0.489 1.00 0.00 C ATOM 603 O GLU A 35 8.168 12.842 0.529 1.00 0.00 O ATOM 604 CB GLU A 35 5.072 13.941 0.036 1.00 0.00 C ATOM 605 CG GLU A 35 4.023 14.469 -0.917 1.00 0.00 C ATOM 606 CD GLU A 35 4.591 15.342 -2.000 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.303 14.851 -2.874 1.00 0.00 O ATOM 608 OE2 GLU A 35 4.280 16.555 -2.016 1.00 0.00 O ATOM 0 H GLU A 35 4.488 11.575 -0.492 1.00 0.00 H new ATOM 0 HA GLU A 35 6.589 13.404 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.572 13.474 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.646 14.781 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.501 13.628 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.282 15.036 -0.353 1.00 0.00 H new ATOM 615 N SER A 36 6.503 11.563 1.326 1.00 0.00 N ATOM 616 CA SER A 36 7.245 11.069 2.448 1.00 0.00 C ATOM 617 C SER A 36 6.744 9.659 2.824 1.00 0.00 C ATOM 618 O SER A 36 5.764 9.513 3.544 1.00 0.00 O ATOM 619 CB SER A 36 7.084 12.056 3.634 1.00 0.00 C ATOM 620 OG SER A 36 7.870 11.691 4.767 1.00 0.00 O ATOM 0 H SER A 36 5.567 11.166 1.240 1.00 0.00 H new ATOM 0 HA SER A 36 8.303 10.994 2.196 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.367 13.057 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.034 12.100 3.924 1.00 0.00 H new ATOM 0 HG SER A 36 7.734 12.345 5.484 1.00 0.00 H new ATOM 626 N PRO A 37 7.376 8.601 2.284 1.00 0.00 N ATOM 627 CA PRO A 37 6.978 7.235 2.556 1.00 0.00 C ATOM 628 C PRO A 37 7.721 6.604 3.735 1.00 0.00 C ATOM 629 O PRO A 37 7.404 5.491 4.152 1.00 0.00 O ATOM 630 CB PRO A 37 7.339 6.521 1.263 1.00 0.00 C ATOM 631 CG PRO A 37 8.539 7.246 0.753 1.00 0.00 C ATOM 632 CD PRO A 37 8.475 8.657 1.307 1.00 0.00 C ATOM 0 HA PRO A 37 5.927 7.171 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.558 5.468 1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.518 6.560 0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.455 6.748 1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.547 7.260 -0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.415 8.945 1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.276 9.386 0.522 1.00 0.00 H new ATOM 640 N ARG A 38 8.708 7.296 4.269 1.00 0.00 N ATOM 641 CA ARG A 38 9.458 6.755 5.376 1.00 0.00 C ATOM 642 C ARG A 38 8.764 7.147 6.657 1.00 0.00 C ATOM 643 O ARG A 38 8.939 8.250 7.150 1.00 0.00 O ATOM 644 CB ARG A 38 10.924 7.248 5.396 1.00 0.00 C ATOM 645 CG ARG A 38 11.692 7.076 4.082 1.00 0.00 C ATOM 646 CD ARG A 38 11.699 5.634 3.586 1.00 0.00 C ATOM 647 NE ARG A 38 12.348 4.692 4.512 1.00 0.00 N ATOM 648 CZ ARG A 38 12.755 3.453 4.167 1.00 0.00 C ATOM 649 NH1 ARG A 38 12.891 3.132 2.890 1.00 0.00 N ATOM 650 NH2 ARG A 38 13.133 2.588 5.102 1.00 0.00 N ATOM 0 H ARG A 38 9.004 8.221 3.957 1.00 0.00 H new ATOM 0 HA ARG A 38 9.495 5.671 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.931 8.304 5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.458 6.715 6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.247 7.715 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.719 7.413 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.671 5.313 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.209 5.593 2.624 1.00 0.00 H new ATOM 0 HE ARG A 38 12.499 4.995 5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.688 3.822 2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.199 2.195 2.630 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.116 2.860 6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.440 1.652 4.837 1.00 0.00 H new ATOM 664 N ILE A 39 7.896 6.291 7.126 1.00 0.00 N ATOM 665 CA ILE A 39 7.169 6.531 8.347 1.00 0.00 C ATOM 666 C ILE A 39 7.334 5.307 9.223 1.00 0.00 C ATOM 667 O ILE A 39 6.560 4.362 9.111 1.00 0.00 O ATOM 668 CB ILE A 39 5.646 6.762 8.071 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.447 7.842 6.985 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.935 7.176 9.365 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.016 8.005 6.515 1.00 0.00 C ATOM 0 H ILE A 39 7.672 5.405 6.672 1.00 0.00 H new ATOM 0 HA ILE A 39 7.559 7.427 8.829 1.00 0.00 H new ATOM 0 HB ILE A 39 5.214 5.829 7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.800 8.798 7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.072 7.596 6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.876 7.335 9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.049 6.389 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.375 8.099 9.742 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.970 8.783 5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.662 7.064 6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.386 8.285 7.359 1.00 0.00 H new ATOM 683 N GLU A 40 8.359 5.315 10.078 1.00 0.00 N ATOM 684 CA GLU A 40 8.721 4.137 10.910 1.00 0.00 C ATOM 685 C GLU A 40 7.574 3.659 11.791 1.00 0.00 C ATOM 686 O GLU A 40 7.483 2.487 12.128 1.00 0.00 O ATOM 687 CB GLU A 40 9.958 4.413 11.772 1.00 0.00 C ATOM 688 CG GLU A 40 9.800 5.561 12.760 1.00 0.00 C ATOM 689 CD GLU A 40 10.971 5.673 13.706 1.00 0.00 C ATOM 690 OE1 GLU A 40 11.978 6.329 13.351 1.00 0.00 O ATOM 691 OE2 GLU A 40 10.910 5.112 14.821 1.00 0.00 O ATOM 0 H GLU A 40 8.964 6.124 10.222 1.00 0.00 H new ATOM 0 HA GLU A 40 8.951 3.338 10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.209 3.508 12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.801 4.629 11.116 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.689 6.496 12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.885 5.419 13.335 1.00 0.00 H new ATOM 698 N ALA A 41 6.690 4.566 12.114 1.00 0.00 N ATOM 699 CA ALA A 41 5.559 4.282 12.960 1.00 0.00 C ATOM 700 C ALA A 41 4.624 3.258 12.316 1.00 0.00 C ATOM 701 O ALA A 41 4.053 2.417 12.991 1.00 0.00 O ATOM 702 CB ALA A 41 4.814 5.571 13.275 1.00 0.00 C ATOM 0 H ALA A 41 6.735 5.533 11.794 1.00 0.00 H new ATOM 0 HA ALA A 41 5.926 3.848 13.890 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.960 5.350 13.915 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.483 6.262 13.788 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.465 6.025 12.348 1.00 0.00 H new ATOM 708 N ASN A 42 4.533 3.289 11.002 1.00 0.00 N ATOM 709 CA ASN A 42 3.610 2.427 10.283 1.00 0.00 C ATOM 710 C ASN A 42 4.268 1.143 9.791 1.00 0.00 C ATOM 711 O ASN A 42 3.633 0.377 9.057 1.00 0.00 O ATOM 712 CB ASN A 42 3.029 3.173 9.077 1.00 0.00 C ATOM 713 CG ASN A 42 2.159 4.360 9.441 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.463 4.371 10.464 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.207 5.370 8.622 1.00 0.00 N ATOM 0 H ASN A 42 5.088 3.903 10.406 1.00 0.00 H new ATOM 0 HA ASN A 42 2.823 2.155 10.987 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.849 3.518 8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.441 2.475 8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.659 6.208 8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.793 5.323 7.788 1.00 0.00 H new ATOM 722 N LYS A 43 5.520 0.889 10.196 1.00 0.00 N ATOM 723 CA LYS A 43 6.263 -0.287 9.708 1.00 0.00 C ATOM 724 C LYS A 43 5.554 -1.608 10.036 1.00 0.00 C ATOM 725 O LYS A 43 4.812 -1.710 11.029 1.00 0.00 O ATOM 726 CB LYS A 43 7.728 -0.282 10.194 1.00 0.00 C ATOM 727 CG LYS A 43 7.968 -0.676 11.647 1.00 0.00 C ATOM 728 CD LYS A 43 9.428 -0.439 12.013 1.00 0.00 C ATOM 729 CE LYS A 43 9.790 -0.980 13.391 1.00 0.00 C ATOM 730 NZ LYS A 43 9.840 -2.462 13.420 1.00 0.00 N ATOM 0 H LYS A 43 6.037 1.473 10.853 1.00 0.00 H new ATOM 0 HA LYS A 43 6.284 -0.211 8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.300 -0.959 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.134 0.718 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.320 -0.094 12.303 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.712 -1.725 11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.066 -0.909 11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.636 0.631 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.758 -0.580 13.693 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.059 -0.629 14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.139 -2.781 14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.897 -2.845 13.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.519 -2.800 12.709 1.00 0.00 H new ATOM 744 N LEU A 44 5.742 -2.575 9.183 1.00 0.00 N ATOM 745 CA LEU A 44 5.125 -3.870 9.307 1.00 0.00 C ATOM 746 C LEU A 44 6.008 -4.738 10.204 1.00 0.00 C ATOM 747 O LEU A 44 7.245 -4.623 10.178 1.00 0.00 O ATOM 748 CB LEU A 44 4.949 -4.482 7.900 1.00 0.00 C ATOM 749 CG LEU A 44 4.080 -5.746 7.777 1.00 0.00 C ATOM 750 CD1 LEU A 44 2.665 -5.472 8.248 1.00 0.00 C ATOM 751 CD2 LEU A 44 4.050 -6.233 6.333 1.00 0.00 C ATOM 0 H LEU A 44 6.342 -2.485 8.363 1.00 0.00 H new ATOM 0 HA LEU A 44 4.137 -3.798 9.762 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.523 -3.717 7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.939 -4.716 7.509 1.00 0.00 H new ATOM 0 HG LEU A 44 4.520 -6.519 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.068 -6.379 8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.683 -5.158 9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.225 -4.682 7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.431 -7.128 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.634 -5.454 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.063 -6.467 6.007 1.00 0.00 H new ATOM 763 N ARG A 45 5.398 -5.595 10.974 1.00 0.00 N ATOM 764 CA ARG A 45 6.103 -6.361 11.973 1.00 0.00 C ATOM 765 C ARG A 45 6.783 -7.583 11.377 1.00 0.00 C ATOM 766 O ARG A 45 6.202 -8.669 11.273 1.00 0.00 O ATOM 767 CB ARG A 45 5.177 -6.697 13.156 1.00 0.00 C ATOM 768 CG ARG A 45 5.764 -7.626 14.195 1.00 0.00 C ATOM 769 CD ARG A 45 4.855 -7.767 15.409 1.00 0.00 C ATOM 770 NE ARG A 45 3.441 -8.065 15.068 1.00 0.00 N ATOM 771 CZ ARG A 45 2.800 -9.208 15.388 1.00 0.00 C ATOM 772 NH1 ARG A 45 3.490 -10.286 15.736 1.00 0.00 N ATOM 773 NH2 ARG A 45 1.477 -9.280 15.293 1.00 0.00 N ATOM 0 H ARG A 45 4.397 -5.785 10.930 1.00 0.00 H new ATOM 0 HA ARG A 45 6.910 -5.745 12.370 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.889 -5.767 13.646 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.264 -7.147 12.765 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.932 -8.607 13.751 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.736 -7.249 14.511 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.240 -8.561 16.049 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.893 -6.844 15.988 1.00 0.00 H new ATOM 0 HE ARG A 45 2.917 -7.355 14.556 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.509 -10.253 15.762 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.001 -11.148 15.977 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.944 -8.470 14.977 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.995 -10.145 15.536 1.00 0.00 H new ATOM 787 N GLY A 46 7.994 -7.375 10.933 1.00 0.00 N ATOM 788 CA GLY A 46 8.764 -8.436 10.352 1.00 0.00 C ATOM 789 C GLY A 46 9.158 -8.118 8.938 1.00 0.00 C ATOM 790 O GLY A 46 9.892 -8.872 8.305 1.00 0.00 O ATOM 0 H GLY A 46 8.469 -6.473 10.964 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.659 -8.608 10.950 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.186 -9.360 10.371 1.00 0.00 H new ATOM 794 N MET A 47 8.667 -7.007 8.430 1.00 0.00 N ATOM 795 CA MET A 47 8.991 -6.581 7.080 1.00 0.00 C ATOM 796 C MET A 47 9.419 -5.124 7.071 1.00 0.00 C ATOM 797 O MET A 47 8.579 -4.222 7.110 1.00 0.00 O ATOM 798 CB MET A 47 7.819 -6.784 6.112 1.00 0.00 C ATOM 799 CG MET A 47 7.475 -8.234 5.793 1.00 0.00 C ATOM 800 SD MET A 47 8.799 -9.109 4.922 1.00 0.00 S ATOM 801 CE MET A 47 8.001 -10.686 4.609 1.00 0.00 C ATOM 0 H MET A 47 8.039 -6.379 8.932 1.00 0.00 H new ATOM 0 HA MET A 47 9.816 -7.205 6.738 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.936 -6.303 6.533 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.048 -6.269 5.179 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.251 -8.760 6.721 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.570 -8.260 5.185 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.744 -11.482 4.640 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.243 -10.868 5.371 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.531 -10.667 3.626 1.00 0.00 H new ATOM 811 N PRO A 48 10.731 -4.875 7.087 1.00 0.00 N ATOM 812 CA PRO A 48 11.277 -3.520 7.003 1.00 0.00 C ATOM 813 C PRO A 48 11.019 -2.922 5.612 1.00 0.00 C ATOM 814 O PRO A 48 10.911 -3.669 4.612 1.00 0.00 O ATOM 815 CB PRO A 48 12.785 -3.721 7.230 1.00 0.00 C ATOM 816 CG PRO A 48 12.910 -5.092 7.803 1.00 0.00 C ATOM 817 CD PRO A 48 11.791 -5.880 7.207 1.00 0.00 C ATOM 0 HA PRO A 48 10.826 -2.835 7.722 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.340 -3.631 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.185 -2.970 7.912 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.875 -5.534 7.556 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.838 -5.070 8.890 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.062 -6.303 6.240 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.493 -6.711 7.846 1.00 0.00 H new ATOM 825 N ASP A 49 10.870 -1.600 5.558 1.00 0.00 N ATOM 826 CA ASP A 49 10.579 -0.854 4.306 1.00 0.00 C ATOM 827 C ASP A 49 9.185 -1.122 3.791 1.00 0.00 C ATOM 828 O ASP A 49 8.823 -0.696 2.703 1.00 0.00 O ATOM 829 CB ASP A 49 11.636 -1.073 3.196 1.00 0.00 C ATOM 830 CG ASP A 49 12.818 -0.141 3.313 1.00 0.00 C ATOM 831 OD1 ASP A 49 13.426 -0.044 4.389 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.135 0.561 2.343 1.00 0.00 O ATOM 0 H ASP A 49 10.946 -1.000 6.379 1.00 0.00 H new ATOM 0 HA ASP A 49 10.636 0.199 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.988 -2.104 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.166 -0.934 2.222 1.00 0.00 H new ATOM 837 N CYS A 50 8.404 -1.798 4.581 1.00 0.00 N ATOM 838 CA CYS A 50 7.040 -2.085 4.259 1.00 0.00 C ATOM 839 C CYS A 50 6.195 -1.451 5.337 1.00 0.00 C ATOM 840 O CYS A 50 6.445 -1.659 6.518 1.00 0.00 O ATOM 841 CB CYS A 50 6.824 -3.596 4.213 1.00 0.00 C ATOM 842 SG CYS A 50 7.970 -4.461 3.102 1.00 0.00 S ATOM 0 H CYS A 50 8.703 -2.171 5.482 1.00 0.00 H new ATOM 0 HA CYS A 50 6.769 -1.688 3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.932 -4.001 5.219 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.801 -3.799 3.896 1.00 0.00 H new ATOM 0 HG CYS A 50 9.191 -4.280 3.511 1.00 0.00 H new ATOM 848 N TYR A 51 5.248 -0.652 4.953 1.00 0.00 N ATOM 849 CA TYR A 51 4.448 0.083 5.900 1.00 0.00 C ATOM 850 C TYR A 51 2.988 -0.082 5.553 1.00 0.00 C ATOM 851 O TYR A 51 2.655 -0.445 4.412 1.00 0.00 O ATOM 852 CB TYR A 51 4.826 1.579 5.858 1.00 0.00 C ATOM 853 CG TYR A 51 6.305 1.856 6.053 1.00 0.00 C ATOM 854 CD1 TYR A 51 6.843 1.927 7.311 1.00 0.00 C ATOM 855 CD2 TYR A 51 7.160 2.027 4.971 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.185 2.155 7.508 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.509 2.262 5.161 1.00 0.00 C ATOM 858 CZ TYR A 51 9.012 2.321 6.436 1.00 0.00 C ATOM 859 OH TYR A 51 10.355 2.541 6.644 1.00 0.00 O ATOM 0 H TYR A 51 5.003 -0.487 3.977 1.00 0.00 H new ATOM 0 HA TYR A 51 4.631 -0.301 6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.514 1.994 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.265 2.105 6.630 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.198 1.801 8.168 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.765 1.976 3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.584 2.203 8.511 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.162 2.398 4.312 1.00 0.00 H new ATOM 0 HH TYR A 51 10.634 2.099 7.473 1.00 0.00 H new ATOM 869 N LYS A 52 2.115 0.155 6.514 1.00 0.00 N ATOM 870 CA LYS A 52 0.702 0.086 6.257 1.00 0.00 C ATOM 871 C LYS A 52 0.056 1.382 6.716 1.00 0.00 C ATOM 872 O LYS A 52 0.426 1.932 7.759 1.00 0.00 O ATOM 873 CB LYS A 52 0.010 -1.145 6.954 1.00 0.00 C ATOM 874 CG LYS A 52 -0.499 -0.927 8.406 1.00 0.00 C ATOM 875 CD LYS A 52 0.597 -0.867 9.477 1.00 0.00 C ATOM 876 CE LYS A 52 1.112 -2.248 9.834 1.00 0.00 C ATOM 877 NZ LYS A 52 2.087 -2.221 10.951 1.00 0.00 N ATOM 0 H LYS A 52 2.365 0.395 7.473 1.00 0.00 H new ATOM 0 HA LYS A 52 0.565 -0.053 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.836 -1.453 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.718 -1.974 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.069 0.001 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.188 -1.733 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.423 -0.253 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.205 -0.383 10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.271 -2.886 10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.581 -2.695 8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.344 -3.195 11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.940 -1.706 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.662 -1.744 11.771 1.00 0.00 H new ATOM 891 N ILE A 53 -0.858 1.883 5.951 1.00 0.00 N ATOM 892 CA ILE A 53 -1.607 3.044 6.353 1.00 0.00 C ATOM 893 C ILE A 53 -3.063 2.659 6.361 1.00 0.00 C ATOM 894 O ILE A 53 -3.500 1.874 5.518 1.00 0.00 O ATOM 895 CB ILE A 53 -1.388 4.271 5.426 1.00 0.00 C ATOM 896 CG1 ILE A 53 0.115 4.588 5.312 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.138 5.479 6.007 1.00 0.00 C ATOM 898 CD1 ILE A 53 0.448 5.698 4.337 1.00 0.00 C ATOM 0 H ILE A 53 -1.110 1.508 5.036 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.261 3.353 7.340 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.771 4.047 4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.492 4.861 6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.643 3.684 5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.989 6.345 5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.202 5.251 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.756 5.700 7.004 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.526 5.855 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.105 5.421 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.048 6.617 4.649 1.00 0.00 H new ATOM 910 N LYS A 54 -3.790 3.153 7.311 1.00 0.00 N ATOM 911 CA LYS A 54 -5.169 2.817 7.456 1.00 0.00 C ATOM 912 C LYS A 54 -6.057 3.998 7.195 1.00 0.00 C ATOM 913 O LYS A 54 -5.630 5.162 7.265 1.00 0.00 O ATOM 914 CB LYS A 54 -5.433 2.377 8.870 1.00 0.00 C ATOM 915 CG LYS A 54 -4.767 1.106 9.299 1.00 0.00 C ATOM 916 CD LYS A 54 -4.919 0.976 10.783 1.00 0.00 C ATOM 917 CE LYS A 54 -4.466 -0.372 11.285 1.00 0.00 C ATOM 918 NZ LYS A 54 -5.283 -1.473 10.745 1.00 0.00 N ATOM 0 H LYS A 54 -3.441 3.806 8.013 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.385 2.027 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.116 3.174 9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.509 2.261 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.218 0.251 8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.712 1.118 9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.342 1.758 11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.963 1.131 11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.423 -0.528 11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.514 -0.387 12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.312 -2.253 11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.249 -1.133 10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.865 -1.811 9.855 1.00 0.00 H new ATOM 932 N LEU A 55 -7.281 3.685 6.929 1.00 0.00 N ATOM 933 CA LEU A 55 -8.334 4.639 6.835 1.00 0.00 C ATOM 934 C LEU A 55 -9.022 4.521 8.162 1.00 0.00 C ATOM 935 O LEU A 55 -9.730 3.548 8.404 1.00 0.00 O ATOM 936 CB LEU A 55 -9.295 4.290 5.694 1.00 0.00 C ATOM 937 CG LEU A 55 -8.680 4.147 4.304 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.762 3.891 3.273 1.00 0.00 C ATOM 939 CD2 LEU A 55 -7.861 5.380 3.945 1.00 0.00 C ATOM 0 H LEU A 55 -7.586 2.725 6.766 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.976 5.646 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.795 3.354 5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.065 5.060 5.649 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.005 3.291 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.309 3.791 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.293 2.972 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.464 4.725 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.433 5.255 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.504 6.260 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.059 5.508 4.672 1.00 0.00 H new ATOM 951 N ARG A 56 -8.773 5.475 9.016 1.00 0.00 N ATOM 952 CA ARG A 56 -9.093 5.375 10.444 1.00 0.00 C ATOM 953 C ARG A 56 -10.574 5.114 10.735 1.00 0.00 C ATOM 954 O ARG A 56 -10.910 4.284 11.586 1.00 0.00 O ATOM 955 CB ARG A 56 -8.609 6.621 11.201 1.00 0.00 C ATOM 956 CG ARG A 56 -7.147 7.011 10.938 1.00 0.00 C ATOM 957 CD ARG A 56 -6.160 5.855 11.137 1.00 0.00 C ATOM 958 NE ARG A 56 -6.229 5.268 12.476 1.00 0.00 N ATOM 959 CZ ARG A 56 -5.241 4.593 13.074 1.00 0.00 C ATOM 960 NH1 ARG A 56 -4.047 4.465 12.489 1.00 0.00 N ATOM 961 NH2 ARG A 56 -5.443 4.050 14.260 1.00 0.00 N ATOM 0 H ARG A 56 -8.338 6.360 8.754 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.556 4.497 10.804 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.248 7.462 10.932 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.738 6.451 12.270 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.057 7.384 9.918 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.873 7.831 11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.361 5.081 10.396 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.147 6.214 10.956 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.100 5.383 12.994 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.879 4.885 11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.303 3.948 12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.350 4.146 14.717 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.692 3.534 14.719 1.00 0.00 H new ATOM 975 N SER A 57 -11.441 5.781 10.019 1.00 0.00 N ATOM 976 CA SER A 57 -12.855 5.665 10.273 1.00 0.00 C ATOM 977 C SER A 57 -13.453 4.486 9.474 1.00 0.00 C ATOM 978 O SER A 57 -14.421 3.829 9.908 1.00 0.00 O ATOM 979 CB SER A 57 -13.538 7.007 9.929 1.00 0.00 C ATOM 980 OG SER A 57 -14.906 7.027 10.297 1.00 0.00 O ATOM 0 H SER A 57 -11.194 6.410 9.255 1.00 0.00 H new ATOM 0 HA SER A 57 -13.030 5.451 11.327 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.016 7.818 10.437 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.450 7.193 8.859 1.00 0.00 H new ATOM 0 HG SER A 57 -15.295 7.895 10.062 1.00 0.00 H new ATOM 986 N SER A 58 -12.856 4.192 8.341 1.00 0.00 N ATOM 987 CA SER A 58 -13.321 3.137 7.480 1.00 0.00 C ATOM 988 C SER A 58 -12.889 1.763 8.023 1.00 0.00 C ATOM 989 O SER A 58 -13.733 0.898 8.304 1.00 0.00 O ATOM 990 CB SER A 58 -12.802 3.370 6.054 1.00 0.00 C ATOM 991 OG SER A 58 -13.264 2.390 5.154 1.00 0.00 O ATOM 0 H SER A 58 -12.032 4.682 7.993 1.00 0.00 H new ATOM 0 HA SER A 58 -14.411 3.146 7.454 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.118 4.355 5.710 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.712 3.370 6.061 1.00 0.00 H new ATOM 0 HG SER A 58 -12.912 2.576 4.259 1.00 0.00 H new ATOM 997 N GLY A 59 -11.600 1.593 8.240 1.00 0.00 N ATOM 998 CA GLY A 59 -11.088 0.328 8.720 1.00 0.00 C ATOM 999 C GLY A 59 -10.366 -0.450 7.646 1.00 0.00 C ATOM 1000 O GLY A 59 -10.064 -1.619 7.821 1.00 0.00 O ATOM 0 H GLY A 59 -10.892 2.312 8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.408 0.508 9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.913 -0.271 9.105 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.158 0.172 6.515 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.361 -0.419 5.450 1.00 0.00 C ATOM 1006 C TYR A 60 -7.892 -0.065 5.634 1.00 0.00 C ATOM 1007 O TYR A 60 -7.559 0.778 6.462 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.849 0.032 4.070 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.110 -0.658 3.588 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.326 -0.489 4.234 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.079 -1.472 2.465 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.468 -1.114 3.781 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.216 -2.099 2.006 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.407 -1.918 2.668 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.546 -2.542 2.210 1.00 0.00 O ATOM 0 H TYR A 60 -10.530 1.097 6.298 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.476 -1.501 5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.026 1.107 4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.055 -0.143 3.344 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.379 0.144 5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.146 -1.617 1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.406 -0.973 4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.172 -2.730 1.130 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.331 -3.072 1.414 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.034 -0.692 4.871 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.613 -0.476 4.957 1.00 0.00 C ATOM 1027 C ARG A 61 -4.958 -0.694 3.596 1.00 0.00 C ATOM 1028 O ARG A 61 -5.556 -1.301 2.693 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.983 -1.391 6.066 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.276 -2.902 5.945 1.00 0.00 C ATOM 1031 CD ARG A 61 -4.503 -3.570 4.812 1.00 0.00 C ATOM 1032 NE ARG A 61 -4.961 -4.937 4.552 1.00 0.00 N ATOM 1033 CZ ARG A 61 -4.423 -5.770 3.650 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -3.346 -5.402 2.970 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -4.969 -6.953 3.427 1.00 0.00 N ATOM 0 H ARG A 61 -7.306 -1.375 4.164 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.428 0.559 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.902 -1.249 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.340 -1.049 7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.026 -3.392 6.886 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.344 -3.048 5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.609 -2.976 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.442 -3.587 5.060 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.750 -5.281 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.928 -4.486 3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.936 -6.035 2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.803 -7.235 3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.556 -7.584 2.740 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.760 -0.219 3.461 1.00 0.00 N ATOM 1050 CA LEU A 62 -2.971 -0.388 2.273 1.00 0.00 C ATOM 1051 C LEU A 62 -1.532 -0.634 2.706 1.00 0.00 C ATOM 1052 O LEU A 62 -1.036 0.033 3.617 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.136 0.859 1.360 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.369 0.915 0.023 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.043 1.906 -0.908 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -0.923 1.355 0.236 1.00 0.00 C ATOM 0 H LEU A 62 -3.287 0.312 4.192 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.298 -1.244 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.197 0.964 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.846 1.734 1.942 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.376 -0.085 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.500 1.945 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.070 1.591 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.043 2.895 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.407 1.385 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.907 2.347 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.421 0.648 0.896 1.00 0.00 H new ATOM 1068 N VAL A 63 -0.899 -1.614 2.098 1.00 0.00 N ATOM 1069 CA VAL A 63 0.457 -2.014 2.448 1.00 0.00 C ATOM 1070 C VAL A 63 1.346 -1.796 1.251 1.00 0.00 C ATOM 1071 O VAL A 63 1.040 -2.289 0.163 1.00 0.00 O ATOM 1072 CB VAL A 63 0.513 -3.519 2.823 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.897 -3.927 3.314 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.547 -3.860 3.843 1.00 0.00 C ATOM 0 H VAL A 63 -1.309 -2.162 1.342 1.00 0.00 H new ATOM 0 HA VAL A 63 0.785 -1.421 3.302 1.00 0.00 H new ATOM 0 HB VAL A 63 0.309 -4.090 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.895 -4.987 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.631 -3.742 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.156 -3.344 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.487 -4.920 4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.388 -3.268 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.532 -3.638 3.432 1.00 0.00 H new ATOM 1084 N TYR A 64 2.424 -1.100 1.442 1.00 0.00 N ATOM 1085 CA TYR A 64 3.333 -0.787 0.365 1.00 0.00 C ATOM 1086 C TYR A 64 4.761 -1.002 0.826 1.00 0.00 C ATOM 1087 O TYR A 64 5.039 -0.994 2.020 1.00 0.00 O ATOM 1088 CB TYR A 64 3.139 0.683 -0.086 1.00 0.00 C ATOM 1089 CG TYR A 64 3.458 1.697 0.996 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.527 2.020 1.972 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.704 2.304 1.053 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.830 2.908 2.974 1.00 0.00 C ATOM 1093 CE2 TYR A 64 5.013 3.196 2.046 1.00 0.00 C ATOM 1094 CZ TYR A 64 4.071 3.496 3.011 1.00 0.00 C ATOM 1095 OH TYR A 64 4.378 4.375 4.026 1.00 0.00 O ATOM 0 H TYR A 64 2.706 -0.728 2.349 1.00 0.00 H new ATOM 0 HA TYR A 64 3.125 -1.443 -0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.773 0.876 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.108 0.822 -0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.548 1.565 1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.443 2.069 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.096 3.143 3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.987 3.662 2.074 1.00 0.00 H new ATOM 0 HH TYR A 64 5.324 4.626 3.967 1.00 0.00 H new ATOM 1105 N GLN A 65 5.635 -1.218 -0.103 1.00 0.00 N ATOM 1106 CA GLN A 65 7.039 -1.315 0.163 1.00 0.00 C ATOM 1107 C GLN A 65 7.696 -0.102 -0.438 1.00 0.00 C ATOM 1108 O GLN A 65 7.277 0.372 -1.490 1.00 0.00 O ATOM 1109 CB GLN A 65 7.638 -2.589 -0.438 1.00 0.00 C ATOM 1110 CG GLN A 65 9.158 -2.720 -0.231 1.00 0.00 C ATOM 1111 CD GLN A 65 9.742 -3.966 -0.855 1.00 0.00 C ATOM 1112 OE1 GLN A 65 10.900 -3.985 -1.292 1.00 0.00 O ATOM 1113 NE2 GLN A 65 8.979 -5.007 -0.873 1.00 0.00 N ATOM 0 H GLN A 65 5.392 -1.334 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 65 7.207 -1.361 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.145 -3.455 0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.423 -2.611 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.652 -1.845 -0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.373 -2.722 0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.030 -4.950 -0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.325 -5.886 -1.257 1.00 0.00 H new ATOM 1122 N VAL A 66 8.680 0.398 0.210 1.00 0.00 N ATOM 1123 CA VAL A 66 9.368 1.562 -0.270 1.00 0.00 C ATOM 1124 C VAL A 66 10.570 1.137 -1.065 1.00 0.00 C ATOM 1125 O VAL A 66 11.486 0.503 -0.540 1.00 0.00 O ATOM 1126 CB VAL A 66 9.806 2.517 0.876 1.00 0.00 C ATOM 1127 CG1 VAL A 66 10.488 3.766 0.320 1.00 0.00 C ATOM 1128 CG2 VAL A 66 8.614 2.913 1.714 1.00 0.00 C ATOM 0 H VAL A 66 9.040 0.022 1.087 1.00 0.00 H new ATOM 0 HA VAL A 66 8.671 2.117 -0.898 1.00 0.00 H new ATOM 0 HB VAL A 66 10.522 1.984 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.784 4.416 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.371 3.476 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.796 4.299 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.936 3.582 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.882 3.422 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.162 2.021 2.148 1.00 0.00 H new ATOM 1138 N ILE A 67 10.546 1.416 -2.328 1.00 0.00 N ATOM 1139 CA ILE A 67 11.667 1.131 -3.146 1.00 0.00 C ATOM 1140 C ILE A 67 12.358 2.440 -3.409 1.00 0.00 C ATOM 1141 O ILE A 67 11.891 3.243 -4.210 1.00 0.00 O ATOM 1142 CB ILE A 67 11.245 0.496 -4.496 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.344 -0.732 -4.259 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.484 0.101 -5.295 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.863 -1.411 -5.528 1.00 0.00 C ATOM 0 H ILE A 67 9.756 1.843 -2.812 1.00 0.00 H new ATOM 0 HA ILE A 67 12.318 0.417 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 67 10.677 1.231 -5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.891 -1.458 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.477 -0.424 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.179 -0.344 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.090 0.986 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.069 -0.621 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.236 -2.264 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.285 -0.703 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.722 -1.754 -6.105 1.00 0.00 H new ATOM 1157 N ASP A 68 13.450 2.668 -2.751 1.00 0.00 N ATOM 1158 CA ASP A 68 14.161 3.920 -2.899 1.00 0.00 C ATOM 1159 C ASP A 68 15.062 3.898 -4.103 1.00 0.00 C ATOM 1160 O ASP A 68 15.315 4.932 -4.702 1.00 0.00 O ATOM 1161 CB ASP A 68 14.930 4.316 -1.624 1.00 0.00 C ATOM 1162 CG ASP A 68 15.915 3.276 -1.155 1.00 0.00 C ATOM 1163 OD1 ASP A 68 17.069 3.261 -1.631 1.00 0.00 O ATOM 1164 OD2 ASP A 68 15.556 2.450 -0.302 1.00 0.00 O ATOM 0 H ASP A 68 13.878 2.008 -2.102 1.00 0.00 H new ATOM 0 HA ASP A 68 13.408 4.692 -3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.462 5.249 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.214 4.510 -0.825 1.00 0.00 H new ATOM 1169 N GLU A 69 15.485 2.711 -4.505 1.00 0.00 N ATOM 1170 CA GLU A 69 16.370 2.564 -5.662 1.00 0.00 C ATOM 1171 C GLU A 69 15.669 2.870 -6.993 1.00 0.00 C ATOM 1172 O GLU A 69 16.318 3.171 -7.982 1.00 0.00 O ATOM 1173 CB GLU A 69 17.024 1.187 -5.692 1.00 0.00 C ATOM 1174 CG GLU A 69 16.047 0.035 -5.651 1.00 0.00 C ATOM 1175 CD GLU A 69 16.736 -1.287 -5.729 1.00 0.00 C ATOM 1176 OE1 GLU A 69 17.565 -1.587 -4.852 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.484 -2.046 -6.678 1.00 0.00 O ATOM 0 H GLU A 69 15.233 1.833 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 69 17.154 3.312 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.628 1.104 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.704 1.102 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.465 0.086 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.344 0.127 -6.479 1.00 0.00 H new ATOM 1184 N LYS A 70 14.349 2.774 -7.022 1.00 0.00 N ATOM 1185 CA LYS A 70 13.614 3.126 -8.238 1.00 0.00 C ATOM 1186 C LYS A 70 12.723 4.316 -7.970 1.00 0.00 C ATOM 1187 O LYS A 70 12.095 4.846 -8.885 1.00 0.00 O ATOM 1188 CB LYS A 70 12.755 1.973 -8.760 1.00 0.00 C ATOM 1189 CG LYS A 70 13.499 0.677 -9.027 1.00 0.00 C ATOM 1190 CD LYS A 70 12.636 -0.307 -9.820 1.00 0.00 C ATOM 1191 CE LYS A 70 11.274 -0.538 -9.182 1.00 0.00 C ATOM 1192 NZ LYS A 70 10.476 -1.506 -9.947 1.00 0.00 N ATOM 0 H LYS A 70 13.771 2.464 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 70 14.356 3.362 -9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.963 1.776 -8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.271 2.292 -9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.415 0.888 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.795 0.224 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.499 0.071 -10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.160 -1.259 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.406 -0.899 -8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.736 0.408 -9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.554 -1.639 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.330 -1.149 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.978 -2.416 -9.987 1.00 0.00 H new ATOM 1206 N VAL A 71 12.717 4.735 -6.704 1.00 0.00 N ATOM 1207 CA VAL A 71 11.888 5.823 -6.174 1.00 0.00 C ATOM 1208 C VAL A 71 10.411 5.560 -6.481 1.00 0.00 C ATOM 1209 O VAL A 71 9.835 6.174 -7.356 1.00 0.00 O ATOM 1210 CB VAL A 71 12.281 7.232 -6.711 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.710 8.306 -5.823 1.00 0.00 C ATOM 1212 CG2 VAL A 71 13.774 7.390 -6.825 1.00 0.00 C ATOM 0 H VAL A 71 13.311 4.311 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 71 12.063 5.834 -5.098 1.00 0.00 H new ATOM 0 HB VAL A 71 11.861 7.332 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.992 9.285 -6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.623 8.223 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.101 8.188 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.007 8.386 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.230 7.259 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.168 6.640 -7.511 1.00 0.00 H new ATOM 1222 N VAL A 72 9.823 4.620 -5.792 1.00 0.00 N ATOM 1223 CA VAL A 72 8.461 4.225 -6.068 1.00 0.00 C ATOM 1224 C VAL A 72 7.877 3.481 -4.864 1.00 0.00 C ATOM 1225 O VAL A 72 8.629 2.874 -4.080 1.00 0.00 O ATOM 1226 CB VAL A 72 8.423 3.309 -7.351 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.234 2.043 -7.158 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.012 2.976 -7.768 1.00 0.00 C ATOM 0 H VAL A 72 10.266 4.108 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 72 7.859 5.115 -6.252 1.00 0.00 H new ATOM 0 HB VAL A 72 8.879 3.885 -8.156 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.184 1.437 -8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.272 2.304 -6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.830 1.476 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.035 2.344 -8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.509 2.447 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.472 3.896 -7.992 1.00 0.00 H new ATOM 1238 N VAL A 73 6.575 3.568 -4.684 1.00 0.00 N ATOM 1239 CA VAL A 73 5.912 2.808 -3.651 1.00 0.00 C ATOM 1240 C VAL A 73 5.197 1.625 -4.278 1.00 0.00 C ATOM 1241 O VAL A 73 4.307 1.781 -5.097 1.00 0.00 O ATOM 1242 CB VAL A 73 4.943 3.656 -2.765 1.00 0.00 C ATOM 1243 CG1 VAL A 73 5.708 4.747 -2.070 1.00 0.00 C ATOM 1244 CG2 VAL A 73 3.795 4.260 -3.557 1.00 0.00 C ATOM 0 H VAL A 73 5.957 4.158 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 73 6.683 2.455 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 73 4.506 2.977 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.026 5.334 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.479 4.305 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.175 5.394 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.156 4.837 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.193 4.914 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.212 3.463 -4.018 1.00 0.00 H new ATOM 1254 N PHE A 74 5.618 0.459 -3.926 1.00 0.00 N ATOM 1255 CA PHE A 74 5.082 -0.744 -4.501 1.00 0.00 C ATOM 1256 C PHE A 74 4.024 -1.332 -3.586 1.00 0.00 C ATOM 1257 O PHE A 74 4.333 -2.001 -2.606 1.00 0.00 O ATOM 1258 CB PHE A 74 6.226 -1.739 -4.801 1.00 0.00 C ATOM 1259 CG PHE A 74 5.823 -3.067 -5.410 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.661 -3.203 -6.157 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.632 -4.181 -5.237 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.316 -4.412 -6.708 1.00 0.00 C ATOM 1263 CE2 PHE A 74 6.287 -5.397 -5.791 1.00 0.00 C ATOM 1264 CZ PHE A 74 5.127 -5.510 -6.525 1.00 0.00 C ATOM 0 H PHE A 74 6.346 0.304 -3.229 1.00 0.00 H new ATOM 0 HA PHE A 74 4.595 -0.516 -5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.932 -1.254 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.759 -1.937 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.020 -2.347 -6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.542 -4.095 -4.662 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.408 -4.502 -7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.925 -6.257 -5.649 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.853 -6.461 -6.958 1.00 0.00 H new ATOM 1274 N VAL A 75 2.793 -1.026 -3.880 1.00 0.00 N ATOM 1275 CA VAL A 75 1.674 -1.495 -3.108 1.00 0.00 C ATOM 1276 C VAL A 75 1.449 -2.976 -3.371 1.00 0.00 C ATOM 1277 O VAL A 75 1.211 -3.388 -4.504 1.00 0.00 O ATOM 1278 CB VAL A 75 0.390 -0.705 -3.428 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.750 -1.156 -2.535 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.627 0.795 -3.287 1.00 0.00 C ATOM 0 H VAL A 75 2.533 -0.437 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 75 1.907 -1.340 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 75 0.114 -0.907 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.648 -0.587 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.939 -2.217 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.483 -0.988 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.293 1.332 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.932 1.021 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.411 1.106 -3.977 1.00 0.00 H new ATOM 1290 N ILE A 76 1.547 -3.754 -2.327 1.00 0.00 N ATOM 1291 CA ILE A 76 1.424 -5.193 -2.416 1.00 0.00 C ATOM 1292 C ILE A 76 -0.024 -5.620 -2.214 1.00 0.00 C ATOM 1293 O ILE A 76 -0.554 -6.446 -2.944 1.00 0.00 O ATOM 1294 CB ILE A 76 2.300 -5.885 -1.339 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.769 -5.416 -1.436 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.202 -7.407 -1.461 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.461 -5.775 -2.733 1.00 0.00 C ATOM 0 H ILE A 76 1.716 -3.410 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 76 1.760 -5.492 -3.409 1.00 0.00 H new ATOM 0 HB ILE A 76 1.922 -5.598 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.800 -4.334 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.330 -5.849 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.823 -7.874 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.166 -7.717 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.547 -7.716 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.487 -5.407 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.467 -6.858 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.929 -5.319 -3.568 1.00 0.00 H new ATOM 1309 N SER A 77 -0.667 -5.063 -1.218 1.00 0.00 N ATOM 1310 CA SER A 77 -2.014 -5.455 -0.930 1.00 0.00 C ATOM 1311 C SER A 77 -2.853 -4.270 -0.495 1.00 0.00 C ATOM 1312 O SER A 77 -2.343 -3.304 0.092 1.00 0.00 O ATOM 1313 CB SER A 77 -2.033 -6.590 0.102 1.00 0.00 C ATOM 1314 OG SER A 77 -1.296 -6.245 1.266 1.00 0.00 O ATOM 0 H SER A 77 -0.281 -4.346 -0.603 1.00 0.00 H new ATOM 0 HA SER A 77 -2.466 -5.836 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.063 -6.817 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.614 -7.494 -0.341 1.00 0.00 H new ATOM 0 HG SER A 77 -1.192 -7.037 1.834 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.125 -4.355 -0.782 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.094 -3.313 -0.527 1.00 0.00 C ATOM 1322 C VAL A 78 -6.358 -4.008 -0.050 1.00 0.00 C ATOM 1323 O VAL A 78 -6.684 -5.085 -0.546 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.444 -2.540 -1.845 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.437 -1.436 -1.587 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.217 -1.974 -2.522 1.00 0.00 C ATOM 0 H VAL A 78 -4.534 -5.182 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.696 -2.605 0.200 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.892 -3.272 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.658 -0.920 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.355 -1.860 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.017 -0.728 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.512 -1.448 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.717 -1.280 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.536 -2.785 -2.778 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.033 -3.441 0.903 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.264 -4.020 1.367 1.00 0.00 C ATOM 1338 C GLY A 79 -8.286 -4.052 2.849 1.00 0.00 C ATOM 1339 O GLY A 79 -7.697 -3.190 3.487 1.00 0.00 O ATOM 0 H GLY A 79 -6.756 -2.580 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.110 -3.441 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.371 -5.030 0.972 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.928 -5.019 3.417 1.00 0.00 N ATOM 1344 CA LYS A 80 -8.959 -5.128 4.843 1.00 0.00 C ATOM 1345 C LYS A 80 -7.981 -6.173 5.310 1.00 0.00 C ATOM 1346 O LYS A 80 -7.575 -7.043 4.544 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.372 -5.360 5.370 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.257 -4.125 5.232 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.650 -4.324 5.805 1.00 0.00 C ATOM 1350 CE LYS A 80 -12.632 -4.614 7.307 1.00 0.00 C ATOM 1351 NZ LYS A 80 -12.118 -3.482 8.105 1.00 0.00 N ATOM 0 H LYS A 80 -9.439 -5.747 2.918 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.643 -4.174 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.826 -6.191 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.322 -5.652 6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.780 -3.285 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.339 -3.859 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.247 -3.431 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.138 -5.148 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.642 -4.856 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.016 -5.494 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.033 -3.770 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.184 -3.199 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.775 -2.679 8.032 1.00 0.00 H new ATOM 1715 N GLU B 54 -2.811 -8.019 12.935 1.00 0.00 N ATOM 1716 CA GLU B 54 -2.944 -7.994 11.498 1.00 0.00 C ATOM 1717 C GLU B 54 -1.570 -8.091 10.835 1.00 0.00 C ATOM 1718 O GLU B 54 -1.429 -8.719 9.812 1.00 0.00 O ATOM 1719 CB GLU B 54 -3.674 -6.719 11.054 1.00 0.00 C ATOM 1720 CG GLU B 54 -2.981 -5.429 11.458 1.00 0.00 C ATOM 1721 CD GLU B 54 -3.790 -4.204 11.134 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -4.683 -3.846 11.926 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -3.565 -3.572 10.100 1.00 0.00 O ATOM 0 HA GLU B 54 -3.535 -8.855 11.185 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -3.782 -6.735 9.970 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.679 -6.725 11.475 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -2.778 -5.451 12.529 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -2.018 -5.366 10.952 1.00 0.00 H new ATOM 1730 N ASP B 55 -0.550 -7.503 11.475 1.00 0.00 N ATOM 1731 CA ASP B 55 0.827 -7.514 10.954 1.00 0.00 C ATOM 1732 C ASP B 55 1.306 -8.895 10.697 1.00 0.00 C ATOM 1733 O ASP B 55 1.929 -9.149 9.702 1.00 0.00 O ATOM 1734 CB ASP B 55 1.814 -6.863 11.901 1.00 0.00 C ATOM 1735 CG ASP B 55 1.753 -5.377 11.914 1.00 0.00 C ATOM 1736 OD1 ASP B 55 0.808 -4.822 12.463 1.00 0.00 O ATOM 1737 OD2 ASP B 55 2.692 -4.740 11.405 1.00 0.00 O ATOM 0 H ASP B 55 -0.653 -7.010 12.362 1.00 0.00 H new ATOM 0 HA ASP B 55 0.782 -6.945 10.025 1.00 0.00 H new ATOM 0 HB2 ASP B 55 1.631 -7.232 12.910 1.00 0.00 H new ATOM 0 HB3 ASP B 55 2.823 -7.172 11.627 1.00 0.00 H new ATOM 1742 N ALA B 56 0.963 -9.795 11.577 1.00 0.00 N ATOM 1743 CA ALA B 56 1.403 -11.174 11.472 1.00 0.00 C ATOM 1744 C ALA B 56 0.767 -11.854 10.269 1.00 0.00 C ATOM 1745 O ALA B 56 1.326 -12.785 9.695 1.00 0.00 O ATOM 1746 CB ALA B 56 1.069 -11.916 12.740 1.00 0.00 C ATOM 0 H ALA B 56 0.373 -9.602 12.387 1.00 0.00 H new ATOM 0 HA ALA B 56 2.484 -11.186 11.331 1.00 0.00 H new ATOM 0 HB1 ALA B 56 1.402 -12.950 12.655 1.00 0.00 H new ATOM 0 HB2 ALA B 56 1.572 -11.441 13.583 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -0.009 -11.894 12.901 1.00 0.00 H new ATOM 1752 N GLU B 57 -0.354 -11.336 9.855 1.00 0.00 N ATOM 1753 CA GLU B 57 -1.088 -11.891 8.771 1.00 0.00 C ATOM 1754 C GLU B 57 -0.693 -11.194 7.483 1.00 0.00 C ATOM 1755 O GLU B 57 -0.602 -11.798 6.434 1.00 0.00 O ATOM 1756 CB GLU B 57 -2.572 -11.753 9.058 1.00 0.00 C ATOM 1757 CG GLU B 57 -3.015 -12.516 10.286 1.00 0.00 C ATOM 1758 CD GLU B 57 -2.560 -13.955 10.267 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -3.076 -14.746 9.463 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -1.655 -14.308 11.057 1.00 0.00 O ATOM 0 H GLU B 57 -0.782 -10.508 10.269 1.00 0.00 H new ATOM 0 HA GLU B 57 -0.861 -12.951 8.656 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -2.814 -10.698 9.187 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -3.137 -12.106 8.195 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -2.621 -12.025 11.176 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -4.102 -12.483 10.358 1.00 0.00 H new ATOM 1767 N LEU B 58 -0.411 -9.928 7.582 1.00 0.00 N ATOM 1768 CA LEU B 58 0.026 -9.153 6.443 1.00 0.00 C ATOM 1769 C LEU B 58 1.415 -9.544 6.002 1.00 0.00 C ATOM 1770 O LEU B 58 1.729 -9.444 4.830 1.00 0.00 O ATOM 1771 CB LEU B 58 -0.070 -7.645 6.704 1.00 0.00 C ATOM 1772 CG LEU B 58 -1.450 -6.977 6.483 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -2.581 -7.710 7.177 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -1.415 -5.528 6.934 1.00 0.00 C ATOM 0 H LEU B 58 -0.475 -9.398 8.451 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.656 -9.384 5.625 1.00 0.00 H new ATOM 0 HB2 LEU B 58 0.234 -7.460 7.734 1.00 0.00 H new ATOM 0 HB3 LEU B 58 0.655 -7.144 6.063 1.00 0.00 H new ATOM 0 HG LEU B 58 -1.650 -7.024 5.413 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -3.521 -7.194 6.985 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -2.642 -8.729 6.796 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -2.394 -7.735 8.251 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.392 -5.073 6.772 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -1.165 -5.483 7.994 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -0.663 -4.986 6.360 1.00 0.00 H new ATOM 1786 N VAL B 59 2.243 -10.016 6.930 1.00 0.00 N ATOM 1787 CA VAL B 59 3.585 -10.440 6.570 1.00 0.00 C ATOM 1788 C VAL B 59 3.550 -11.735 5.742 1.00 0.00 C ATOM 1789 O VAL B 59 4.389 -11.933 4.860 1.00 0.00 O ATOM 1790 CB VAL B 59 4.583 -10.554 7.780 1.00 0.00 C ATOM 1791 CG1 VAL B 59 4.702 -9.247 8.521 1.00 0.00 C ATOM 1792 CG2 VAL B 59 4.249 -11.712 8.709 1.00 0.00 C ATOM 0 H VAL B 59 2.011 -10.112 7.919 1.00 0.00 H new ATOM 0 HA VAL B 59 3.987 -9.637 5.953 1.00 0.00 H new ATOM 0 HB VAL B 59 5.563 -10.780 7.359 1.00 0.00 H new ATOM 0 HG11 VAL B 59 5.399 -9.361 9.351 1.00 0.00 H new ATOM 0 HG12 VAL B 59 5.068 -8.476 7.843 1.00 0.00 H new ATOM 0 HG13 VAL B 59 3.724 -8.957 8.906 1.00 0.00 H new ATOM 0 HG21 VAL B 59 4.970 -11.743 9.526 1.00 0.00 H new ATOM 0 HG22 VAL B 59 3.247 -11.575 9.115 1.00 0.00 H new ATOM 0 HG23 VAL B 59 4.291 -12.648 8.153 1.00 0.00 H new ATOM 1802 N GLU B 60 2.546 -12.594 5.979 1.00 0.00 N ATOM 1803 CA GLU B 60 2.412 -13.791 5.171 1.00 0.00 C ATOM 1804 C GLU B 60 1.775 -13.465 3.821 1.00 0.00 C ATOM 1805 O GLU B 60 2.068 -14.112 2.820 1.00 0.00 O ATOM 1806 CB GLU B 60 1.678 -14.951 5.877 1.00 0.00 C ATOM 1807 CG GLU B 60 0.298 -14.630 6.395 1.00 0.00 C ATOM 1808 CD GLU B 60 -0.487 -15.858 6.762 1.00 0.00 C ATOM 1809 OE1 GLU B 60 -0.129 -16.556 7.743 1.00 0.00 O ATOM 1810 OE2 GLU B 60 -1.466 -16.184 6.035 1.00 0.00 O ATOM 0 H GLU B 60 1.839 -12.478 6.705 1.00 0.00 H new ATOM 0 HA GLU B 60 3.426 -14.155 5.005 1.00 0.00 H new ATOM 0 HB2 GLU B 60 1.600 -15.785 5.180 1.00 0.00 H new ATOM 0 HB3 GLU B 60 2.291 -15.290 6.713 1.00 0.00 H new ATOM 0 HG2 GLU B 60 0.384 -13.985 7.269 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -0.248 -14.068 5.637 1.00 0.00 H new ATOM 1817 N ILE B 61 0.928 -12.446 3.794 1.00 0.00 N ATOM 1818 CA ILE B 61 0.280 -12.004 2.557 1.00 0.00 C ATOM 1819 C ILE B 61 1.290 -11.337 1.607 1.00 0.00 C ATOM 1820 O ILE B 61 1.250 -11.549 0.397 1.00 0.00 O ATOM 1821 CB ILE B 61 -0.920 -11.045 2.846 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -2.002 -11.790 3.642 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -1.506 -10.469 1.550 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -3.171 -10.928 4.073 1.00 0.00 C ATOM 0 H ILE B 61 0.669 -11.903 4.618 1.00 0.00 H new ATOM 0 HA ILE B 61 -0.115 -12.893 2.065 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.551 -10.207 3.438 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.379 -12.614 3.036 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -1.545 -12.230 4.528 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -2.338 -9.807 1.790 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -0.736 -9.907 1.021 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.861 -11.283 0.918 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.886 -11.535 4.628 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.811 -10.119 4.708 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -3.658 -10.509 3.193 1.00 0.00 H new ATOM 1836 N VAL B 62 2.212 -10.565 2.157 1.00 0.00 N ATOM 1837 CA VAL B 62 3.207 -9.891 1.341 1.00 0.00 C ATOM 1838 C VAL B 62 4.205 -10.905 0.748 1.00 0.00 C ATOM 1839 O VAL B 62 4.439 -10.921 -0.477 1.00 0.00 O ATOM 1840 CB VAL B 62 3.927 -8.705 2.102 1.00 0.00 C ATOM 1841 CG1 VAL B 62 4.630 -9.176 3.344 1.00 0.00 C ATOM 1842 CG2 VAL B 62 4.905 -7.968 1.202 1.00 0.00 C ATOM 0 H VAL B 62 2.292 -10.390 3.159 1.00 0.00 H new ATOM 0 HA VAL B 62 2.680 -9.421 0.511 1.00 0.00 H new ATOM 0 HB VAL B 62 3.140 -8.012 2.398 1.00 0.00 H new ATOM 0 HG11 VAL B 62 5.110 -8.329 3.834 1.00 0.00 H new ATOM 0 HG12 VAL B 62 3.906 -9.626 4.024 1.00 0.00 H new ATOM 0 HG13 VAL B 62 5.385 -9.916 3.077 1.00 0.00 H new ATOM 0 HG21 VAL B 62 5.378 -7.161 1.762 1.00 0.00 H new ATOM 0 HG22 VAL B 62 5.669 -8.661 0.849 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.371 -7.552 0.348 1.00 0.00 H new ATOM 1852 N LYS B 63 4.702 -11.825 1.597 1.00 0.00 N ATOM 1853 CA LYS B 63 5.652 -12.850 1.155 1.00 0.00 C ATOM 1854 C LYS B 63 4.976 -13.809 0.166 1.00 0.00 C ATOM 1855 O LYS B 63 5.648 -14.505 -0.612 1.00 0.00 O ATOM 1856 CB LYS B 63 6.241 -13.618 2.348 1.00 0.00 C ATOM 1857 CG LYS B 63 5.253 -14.497 3.085 1.00 0.00 C ATOM 1858 CD LYS B 63 5.860 -15.116 4.337 1.00 0.00 C ATOM 1859 CE LYS B 63 7.103 -15.929 4.011 1.00 0.00 C ATOM 1860 NZ LYS B 63 7.669 -16.587 5.207 1.00 0.00 N ATOM 0 H LYS B 63 4.460 -11.875 2.587 1.00 0.00 H new ATOM 0 HA LYS B 63 6.478 -12.352 0.647 1.00 0.00 H new ATOM 0 HB2 LYS B 63 7.064 -14.238 1.993 1.00 0.00 H new ATOM 0 HB3 LYS B 63 6.663 -12.901 3.052 1.00 0.00 H new ATOM 0 HG2 LYS B 63 4.379 -13.907 3.360 1.00 0.00 H new ATOM 0 HG3 LYS B 63 4.907 -15.289 2.421 1.00 0.00 H new ATOM 0 HD2 LYS B 63 6.115 -14.329 5.046 1.00 0.00 H new ATOM 0 HD3 LYS B 63 5.123 -15.756 4.822 1.00 0.00 H new ATOM 0 HE2 LYS B 63 6.856 -16.685 3.265 1.00 0.00 H new ATOM 0 HE3 LYS B 63 7.855 -15.277 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 8.514 -17.130 4.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 7.930 -15.866 5.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 6.962 -17.229 5.617 1.00 0.00 H new ATOM 1874 N GLU B 64 3.646 -13.845 0.225 1.00 0.00 N ATOM 1875 CA GLU B 64 2.839 -14.589 -0.705 1.00 0.00 C ATOM 1876 C GLU B 64 2.866 -13.928 -2.054 1.00 0.00 C ATOM 1877 O GLU B 64 3.369 -14.481 -2.993 1.00 0.00 O ATOM 1878 CB GLU B 64 1.390 -14.702 -0.219 1.00 0.00 C ATOM 1879 CG GLU B 64 0.435 -15.197 -1.285 1.00 0.00 C ATOM 1880 CD GLU B 64 -0.920 -15.523 -0.765 1.00 0.00 C ATOM 1881 OE1 GLU B 64 -1.786 -14.622 -0.678 1.00 0.00 O ATOM 1882 OE2 GLU B 64 -1.157 -16.709 -0.470 1.00 0.00 O ATOM 0 H GLU B 64 3.105 -13.349 0.933 1.00 0.00 H new ATOM 0 HA GLU B 64 3.256 -15.593 -0.780 1.00 0.00 H new ATOM 0 HB2 GLU B 64 1.353 -15.379 0.634 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.056 -13.726 0.133 1.00 0.00 H new ATOM 0 HG2 GLU B 64 0.344 -14.437 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU B 64 0.858 -16.085 -1.756 1.00 0.00 H new ATOM 1889 N ARG B 65 2.384 -12.705 -2.113 1.00 0.00 N ATOM 1890 CA ARG B 65 2.268 -11.979 -3.365 1.00 0.00 C ATOM 1891 C ARG B 65 3.619 -11.686 -3.979 1.00 0.00 C ATOM 1892 O ARG B 65 3.725 -11.472 -5.178 1.00 0.00 O ATOM 1893 CB ARG B 65 1.441 -10.714 -3.201 1.00 0.00 C ATOM 1894 CG ARG B 65 -0.006 -10.978 -2.834 1.00 0.00 C ATOM 1895 CD ARG B 65 -0.808 -9.700 -2.819 1.00 0.00 C ATOM 1896 NE ARG B 65 -2.193 -9.921 -2.377 1.00 0.00 N ATOM 1897 CZ ARG B 65 -3.216 -9.100 -2.626 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -3.045 -8.035 -3.417 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -4.414 -9.360 -2.096 1.00 0.00 N ATOM 0 H ARG B 65 2.061 -12.184 -1.297 1.00 0.00 H new ATOM 0 HA ARG B 65 1.738 -12.628 -4.062 1.00 0.00 H new ATOM 0 HB2 ARG B 65 1.895 -10.091 -2.430 1.00 0.00 H new ATOM 0 HB3 ARG B 65 1.473 -10.146 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG B 65 -0.443 -11.676 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG B 65 -0.054 -11.452 -1.854 1.00 0.00 H new ATOM 0 HD2 ARG B 65 -0.328 -8.979 -2.158 1.00 0.00 H new ATOM 0 HD3 ARG B 65 -0.812 -9.263 -3.818 1.00 0.00 H new ATOM 0 HE ARG B 65 -2.387 -10.766 -1.839 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -2.132 -7.849 -3.831 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -3.828 -7.409 -3.606 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -4.543 -10.181 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -5.200 -8.737 -2.282 1.00 0.00 H new ATOM 1913 N LEU B 66 4.662 -11.744 -3.162 1.00 0.00 N ATOM 1914 CA LEU B 66 6.014 -11.576 -3.671 1.00 0.00 C ATOM 1915 C LEU B 66 6.514 -12.821 -4.426 1.00 0.00 C ATOM 1916 O LEU B 66 7.626 -12.818 -4.942 1.00 0.00 O ATOM 1917 CB LEU B 66 7.008 -11.192 -2.563 1.00 0.00 C ATOM 1918 CG LEU B 66 6.858 -9.791 -1.954 1.00 0.00 C ATOM 1919 CD1 LEU B 66 7.886 -9.580 -0.855 1.00 0.00 C ATOM 1920 CD2 LEU B 66 7.002 -8.713 -3.024 1.00 0.00 C ATOM 0 H LEU B 66 4.599 -11.904 -2.157 1.00 0.00 H new ATOM 0 HA LEU B 66 5.963 -10.751 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU B 66 6.920 -11.923 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU B 66 8.017 -11.281 -2.966 1.00 0.00 H new ATOM 0 HG LEU B 66 5.860 -9.714 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.767 -8.582 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU B 66 7.740 -10.325 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU B 66 8.889 -9.681 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU B 66 6.892 -7.730 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU B 66 7.986 -8.789 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.232 -8.849 -3.783 1.00 0.00 H new ATOM 1932 N ARG B 67 5.702 -13.887 -4.475 1.00 0.00 N ATOM 1933 CA ARG B 67 6.077 -15.106 -5.208 1.00 0.00 C ATOM 1934 C ARG B 67 6.116 -14.810 -6.714 1.00 0.00 C ATOM 1935 O ARG B 67 7.052 -15.202 -7.416 1.00 0.00 O ATOM 1936 CB ARG B 67 5.106 -16.287 -4.880 1.00 0.00 C ATOM 1937 CG ARG B 67 3.669 -16.137 -5.409 1.00 0.00 C ATOM 1938 CD ARG B 67 2.715 -17.156 -4.793 1.00 0.00 C ATOM 1939 NE ARG B 67 3.115 -18.536 -5.054 1.00 0.00 N ATOM 1940 CZ ARG B 67 2.560 -19.619 -4.505 1.00 0.00 C ATOM 1941 NH1 ARG B 67 1.508 -19.505 -3.679 1.00 0.00 N ATOM 1942 NH2 ARG B 67 3.032 -20.814 -4.809 1.00 0.00 N ATOM 0 H ARG B 67 4.790 -13.931 -4.021 1.00 0.00 H new ATOM 0 HA ARG B 67 7.072 -15.417 -4.889 1.00 0.00 H new ATOM 0 HB2 ARG B 67 5.529 -17.205 -5.288 1.00 0.00 H new ATOM 0 HB3 ARG B 67 5.064 -16.409 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG B 67 3.309 -15.131 -5.196 1.00 0.00 H new ATOM 0 HG3 ARG B 67 3.669 -16.252 -6.493 1.00 0.00 H new ATOM 0 HD2 ARG B 67 2.664 -16.995 -3.716 1.00 0.00 H new ATOM 0 HD3 ARG B 67 1.712 -16.993 -5.187 1.00 0.00 H new ATOM 0 HE ARG B 67 3.882 -18.685 -5.710 1.00 0.00 H new ATOM 0 HH11 ARG B 67 1.125 -18.584 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG B 67 1.092 -20.339 -3.265 1.00 0.00 H new ATOM 0 HH21 ARG B 67 3.814 -20.904 -5.458 1.00 0.00 H new ATOM 0 HH22 ARG B 67 2.615 -21.648 -4.395 1.00 0.00 H new ATOM 1956 N ASN B 68 5.107 -14.092 -7.176 1.00 0.00 N ATOM 1957 CA ASN B 68 4.962 -13.655 -8.555 1.00 0.00 C ATOM 1958 C ASN B 68 4.088 -12.420 -8.510 1.00 0.00 C ATOM 1959 O ASN B 68 2.876 -12.519 -8.617 1.00 0.00 O ATOM 1960 CB ASN B 68 4.271 -14.719 -9.474 1.00 0.00 C ATOM 1961 CG ASN B 68 4.987 -16.062 -9.564 1.00 0.00 C ATOM 1962 OD1 ASN B 68 4.712 -16.973 -8.786 1.00 0.00 O ATOM 1963 ND2 ASN B 68 5.897 -16.203 -10.492 1.00 0.00 N ATOM 0 H ASN B 68 4.338 -13.786 -6.580 1.00 0.00 H new ATOM 0 HA ASN B 68 5.951 -13.479 -8.977 1.00 0.00 H new ATOM 0 HB2 ASN B 68 3.258 -14.889 -9.108 1.00 0.00 H new ATOM 0 HB3 ASN B 68 4.182 -14.305 -10.478 1.00 0.00 H new ATOM 0 HD21 ASN B 68 6.399 -17.086 -10.584 1.00 0.00 H new ATOM 0 HD22 ASN B 68 6.105 -15.430 -11.124 1.00 0.00 H new ATOM 1970 N PRO B 69 4.676 -11.249 -8.256 1.00 0.00 N ATOM 1971 CA PRO B 69 3.906 -10.018 -8.090 1.00 0.00 C ATOM 1972 C PRO B 69 3.335 -9.490 -9.399 1.00 0.00 C ATOM 1973 O PRO B 69 2.122 -9.361 -9.553 1.00 0.00 O ATOM 1974 CB PRO B 69 4.916 -9.009 -7.511 1.00 0.00 C ATOM 1975 CG PRO B 69 6.198 -9.756 -7.296 1.00 0.00 C ATOM 1976 CD PRO B 69 6.120 -11.029 -8.089 1.00 0.00 C ATOM 0 HA PRO B 69 3.041 -10.189 -7.450 1.00 0.00 H new ATOM 0 HB2 PRO B 69 5.065 -8.174 -8.196 1.00 0.00 H new ATOM 0 HB3 PRO B 69 4.550 -8.590 -6.573 1.00 0.00 H new ATOM 0 HG2 PRO B 69 7.049 -9.156 -7.618 1.00 0.00 H new ATOM 0 HG3 PRO B 69 6.342 -9.972 -6.237 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.624 -10.933 -9.051 1.00 0.00 H new ATOM 0 HD3 PRO B 69 6.593 -11.858 -7.563 1.00 0.00 H new ATOM 1984 N LYS B 70 4.226 -9.235 -10.349 1.00 0.00 N ATOM 1985 CA LYS B 70 3.892 -8.622 -11.628 1.00 0.00 C ATOM 1986 C LYS B 70 3.319 -7.222 -11.436 1.00 0.00 C ATOM 1987 O LYS B 70 2.107 -7.005 -11.531 1.00 0.00 O ATOM 1988 CB LYS B 70 3.006 -9.508 -12.546 1.00 0.00 C ATOM 1989 CG LYS B 70 3.739 -10.672 -13.208 1.00 0.00 C ATOM 1990 CD LYS B 70 4.253 -11.693 -12.211 1.00 0.00 C ATOM 1991 CE LYS B 70 5.131 -12.728 -12.879 1.00 0.00 C ATOM 1992 NZ LYS B 70 6.339 -12.131 -13.500 1.00 0.00 N ATOM 0 H LYS B 70 5.218 -9.452 -10.250 1.00 0.00 H new ATOM 0 HA LYS B 70 4.833 -8.526 -12.170 1.00 0.00 H new ATOM 0 HB2 LYS B 70 2.179 -9.905 -11.957 1.00 0.00 H new ATOM 0 HB3 LYS B 70 2.571 -8.881 -13.324 1.00 0.00 H new ATOM 0 HG2 LYS B 70 3.067 -11.165 -13.911 1.00 0.00 H new ATOM 0 HG3 LYS B 70 4.577 -10.284 -13.787 1.00 0.00 H new ATOM 0 HD2 LYS B 70 4.817 -11.186 -11.428 1.00 0.00 H new ATOM 0 HD3 LYS B 70 3.410 -12.187 -11.727 1.00 0.00 H new ATOM 0 HE2 LYS B 70 5.435 -13.472 -12.143 1.00 0.00 H new ATOM 0 HE3 LYS B 70 4.555 -13.251 -13.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 7.058 -12.869 -13.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 6.087 -11.715 -14.419 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 6.719 -11.390 -12.877 1.00 0.00 H new ATOM 2006 N PRO B 71 4.194 -6.260 -11.105 1.00 0.00 N ATOM 2007 CA PRO B 71 3.785 -4.897 -10.847 1.00 0.00 C ATOM 2008 C PRO B 71 3.523 -4.084 -12.111 1.00 0.00 C ATOM 2009 O PRO B 71 4.005 -4.406 -13.217 1.00 0.00 O ATOM 2010 CB PRO B 71 4.953 -4.310 -10.080 1.00 0.00 C ATOM 2011 CG PRO B 71 6.141 -5.070 -10.527 1.00 0.00 C ATOM 2012 CD PRO B 71 5.656 -6.436 -10.937 1.00 0.00 C ATOM 0 HA PRO B 71 2.837 -4.873 -10.309 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.066 -3.246 -10.290 1.00 0.00 H new ATOM 0 HB3 PRO B 71 4.806 -4.409 -9.005 1.00 0.00 H new ATOM 0 HG2 PRO B 71 6.630 -4.567 -11.361 1.00 0.00 H new ATOM 0 HG3 PRO B 71 6.876 -5.145 -9.725 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.128 -6.766 -11.863 1.00 0.00 H new ATOM 0 HD3 PRO B 71 5.884 -7.185 -10.179 1.00 0.00 H new ATOM 2020 N VAL B 72 2.749 -3.061 -11.940 1.00 0.00 N ATOM 2021 CA VAL B 72 2.393 -2.140 -12.968 1.00 0.00 C ATOM 2022 C VAL B 72 2.658 -0.751 -12.433 1.00 0.00 C ATOM 2023 O VAL B 72 2.216 -0.421 -11.323 1.00 0.00 O ATOM 2024 CB VAL B 72 0.881 -2.256 -13.340 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.512 -1.298 -14.456 1.00 0.00 C ATOM 2026 CG2 VAL B 72 0.518 -3.677 -13.729 1.00 0.00 C ATOM 0 H VAL B 72 2.329 -2.836 -11.038 1.00 0.00 H new ATOM 0 HA VAL B 72 2.975 -2.352 -13.865 1.00 0.00 H new ATOM 0 HB VAL B 72 0.309 -1.985 -12.452 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.547 -1.404 -14.691 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.713 -0.275 -14.138 1.00 0.00 H new ATOM 0 HG13 VAL B 72 1.105 -1.526 -15.342 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.541 -3.726 -13.982 1.00 0.00 H new ATOM 0 HG22 VAL B 72 1.112 -3.981 -14.591 1.00 0.00 H new ATOM 0 HG23 VAL B 72 0.722 -4.346 -12.893 1.00 0.00 H new ATOM 2036 N ARG B 73 3.403 0.028 -13.173 1.00 0.00 N ATOM 2037 CA ARG B 73 3.680 1.386 -12.791 1.00 0.00 C ATOM 2038 C ARG B 73 2.441 2.201 -13.130 1.00 0.00 C ATOM 2039 O ARG B 73 1.960 2.171 -14.272 1.00 0.00 O ATOM 2040 CB ARG B 73 4.940 1.905 -13.548 1.00 0.00 C ATOM 2041 CG ARG B 73 5.532 3.263 -13.077 1.00 0.00 C ATOM 2042 CD ARG B 73 4.623 4.458 -13.368 1.00 0.00 C ATOM 2043 NE ARG B 73 4.333 4.592 -14.807 1.00 0.00 N ATOM 2044 CZ ARG B 73 3.171 5.026 -15.335 1.00 0.00 C ATOM 2045 NH1 ARG B 73 2.223 5.518 -14.550 1.00 0.00 N ATOM 2046 NH2 ARG B 73 2.991 4.994 -16.645 1.00 0.00 N ATOM 0 H ARG B 73 3.832 -0.260 -14.052 1.00 0.00 H new ATOM 0 HA ARG B 73 3.897 1.469 -11.726 1.00 0.00 H new ATOM 0 HB2 ARG B 73 5.720 1.148 -13.467 1.00 0.00 H new ATOM 0 HB3 ARG B 73 4.689 1.992 -14.605 1.00 0.00 H new ATOM 0 HG2 ARG B 73 5.723 3.215 -12.005 1.00 0.00 H new ATOM 0 HG3 ARG B 73 6.493 3.420 -13.566 1.00 0.00 H new ATOM 0 HD2 ARG B 73 3.688 4.345 -12.819 1.00 0.00 H new ATOM 0 HD3 ARG B 73 5.097 5.371 -13.007 1.00 0.00 H new ATOM 0 HE ARG B 73 5.074 4.335 -15.459 1.00 0.00 H new ATOM 0 HH11 ARG B 73 2.371 5.569 -13.542 1.00 0.00 H new ATOM 0 HH12 ARG B 73 1.345 5.845 -14.954 1.00 0.00 H new ATOM 0 HH21 ARG B 73 3.730 4.642 -17.253 1.00 0.00 H new ATOM 0 HH22 ARG B 73 2.113 5.322 -17.047 1.00 0.00 H new ATOM 2060 N VAL B 74 1.923 2.896 -12.157 1.00 0.00 N ATOM 2061 CA VAL B 74 0.743 3.712 -12.323 1.00 0.00 C ATOM 2062 C VAL B 74 0.938 5.077 -11.652 1.00 0.00 C ATOM 2063 O VAL B 74 2.029 5.385 -11.139 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.550 3.029 -11.767 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -0.959 1.826 -12.606 1.00 0.00 C ATOM 2066 CG2 VAL B 74 -0.350 2.602 -10.330 1.00 0.00 C ATOM 0 H VAL B 74 2.309 2.915 -11.213 1.00 0.00 H new ATOM 0 HA VAL B 74 0.604 3.844 -13.396 1.00 0.00 H new ATOM 0 HB VAL B 74 -1.351 3.767 -11.818 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.861 1.380 -12.187 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -1.154 2.146 -13.630 1.00 0.00 H new ATOM 0 HG13 VAL B 74 -0.155 1.090 -12.603 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -1.260 2.129 -9.961 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.476 1.893 -10.273 1.00 0.00 H new ATOM 0 HG23 VAL B 74 -0.122 3.476 -9.719 1.00 0.00 H new ATOM 2076 N THR B 75 -0.058 5.898 -11.767 1.00 0.00 N ATOM 2077 CA THR B 75 -0.126 7.189 -11.145 1.00 0.00 C ATOM 2078 C THR B 75 -1.505 7.303 -10.513 1.00 0.00 C ATOM 2079 O THR B 75 -2.412 6.569 -10.905 1.00 0.00 O ATOM 2080 CB THR B 75 0.102 8.347 -12.170 1.00 0.00 C ATOM 2081 OG1 THR B 75 -0.758 8.190 -13.317 1.00 0.00 O ATOM 2082 CG2 THR B 75 1.557 8.414 -12.623 1.00 0.00 C ATOM 0 H THR B 75 -0.885 5.679 -12.322 1.00 0.00 H new ATOM 0 HA THR B 75 0.663 7.282 -10.399 1.00 0.00 H new ATOM 0 HB THR B 75 -0.143 9.281 -11.664 1.00 0.00 H new ATOM 0 HG1 THR B 75 -0.378 7.519 -13.922 1.00 0.00 H new ATOM 0 HG21 THR B 75 1.679 9.230 -13.335 1.00 0.00 H new ATOM 0 HG22 THR B 75 2.199 8.587 -11.759 1.00 0.00 H new ATOM 0 HG23 THR B 75 1.834 7.473 -13.099 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.680 8.194 -9.573 1.00 0.00 N ATOM 2091 CA LEU B 76 -2.980 8.369 -8.917 1.00 0.00 C ATOM 2092 C LEU B 76 -3.995 8.935 -9.891 1.00 0.00 C ATOM 2093 O LEU B 76 -5.189 8.664 -9.792 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.831 9.271 -7.705 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.910 8.735 -6.629 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -1.640 9.787 -5.576 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -2.504 7.500 -5.984 1.00 0.00 C ATOM 0 H LEU B 76 -0.948 8.817 -9.234 1.00 0.00 H new ATOM 0 HA LEU B 76 -3.341 7.396 -8.583 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -2.458 10.241 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.816 9.439 -7.271 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.965 8.466 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.976 9.378 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -1.169 10.654 -6.040 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -2.580 10.089 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.827 7.130 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -3.464 7.751 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.649 6.729 -6.740 1.00 0.00 H new ATOM 2109 N ASP B 77 -3.489 9.683 -10.849 1.00 0.00 N ATOM 2110 CA ASP B 77 -4.275 10.288 -11.919 1.00 0.00 C ATOM 2111 C ASP B 77 -5.015 9.243 -12.747 1.00 0.00 C ATOM 2112 O ASP B 77 -6.178 9.453 -13.150 1.00 0.00 O ATOM 2113 CB ASP B 77 -3.347 11.105 -12.829 1.00 0.00 C ATOM 2114 CG ASP B 77 -4.023 11.594 -14.092 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -4.655 12.663 -14.068 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -3.915 10.916 -15.134 1.00 0.00 O ATOM 0 H ASP B 77 -2.494 9.896 -10.912 1.00 0.00 H new ATOM 0 HA ASP B 77 -5.024 10.934 -11.461 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -2.968 11.963 -12.273 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -2.486 10.494 -13.100 1.00 0.00 H new ATOM 2121 N GLU B 78 -4.367 8.117 -12.975 1.00 0.00 N ATOM 2122 CA GLU B 78 -4.923 7.088 -13.826 1.00 0.00 C ATOM 2123 C GLU B 78 -5.671 6.020 -13.027 1.00 0.00 C ATOM 2124 O GLU B 78 -6.237 5.101 -13.611 1.00 0.00 O ATOM 2125 CB GLU B 78 -3.832 6.470 -14.719 1.00 0.00 C ATOM 2126 CG GLU B 78 -2.716 5.778 -13.958 1.00 0.00 C ATOM 2127 CD GLU B 78 -1.565 5.350 -14.840 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -1.734 4.466 -15.698 1.00 0.00 O ATOM 2129 OE2 GLU B 78 -0.459 5.915 -14.688 1.00 0.00 O ATOM 0 H GLU B 78 -3.453 7.893 -12.581 1.00 0.00 H new ATOM 0 HA GLU B 78 -5.660 7.562 -14.474 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -4.296 5.750 -15.393 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -3.400 7.255 -15.339 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -2.342 6.450 -13.185 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -3.121 4.902 -13.451 1.00 0.00 H new ATOM 2136 N LEU B 79 -5.664 6.128 -11.710 1.00 0.00 N ATOM 2137 CA LEU B 79 -6.415 5.180 -10.898 1.00 0.00 C ATOM 2138 C LEU B 79 -7.876 5.593 -10.853 1.00 0.00 C ATOM 2139 O LEU B 79 -8.691 4.992 -11.571 1.00 0.00 O ATOM 2140 CB LEU B 79 -5.862 5.073 -9.474 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.395 4.679 -9.331 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -4.059 4.434 -7.880 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -4.057 3.466 -10.178 1.00 0.00 C ATOM 2144 OXT LEU B 79 -8.193 6.580 -10.149 1.00 0.00 O ATOM 0 H LEU B 79 -5.160 6.844 -11.187 1.00 0.00 H new ATOM 0 HA LEU B 79 -6.317 4.198 -11.361 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -6.004 6.035 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.463 4.344 -8.930 1.00 0.00 H new ATOM 0 HG LEU B 79 -3.787 5.507 -9.695 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -3.009 4.154 -7.792 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -4.241 5.342 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -4.683 3.629 -7.493 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -3.004 3.215 -10.050 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -4.672 2.622 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.252 3.689 -11.227 1.00 0.00 H new