USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=18 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 Set 1.1: A 43 LYS NZ :NH3+ -135:sc= 2.46 (180deg=-0.518) USER MOD Set 1.2: A 51 TYR OH : rot 30:sc= 0.976 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.698! K(o=-0.019!,f=0.99) USER MOD Set 2.2: A 58 SER OG : rot 88:sc= 0.678 USER MOD Single : A 3 TYR OH : rot -151:sc= 1.24 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -79:sc= 0.798 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.14) USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= -0.117 (180deg=-0.488) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 42 ASN : amide:sc= -0.959 K(o=-0.96,f=-1.7!) USER MOD Single : A 47 MET CE :methyl -139:sc= 0 (180deg=-0.922) USER MOD Single : A 50 CYS SG : rot 61:sc= 0.15 USER MOD Single : A 52 LYS NZ :NH3+ -142:sc= 0.829! (180deg=-0.517!) USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= 0.958 (180deg=-0.65!) USER MOD Single : A 57 SER OG : rot -49:sc= 0.0429 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.63! K(o=-1.6!,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 32:sc= 1.52 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -0.889 K(o=-0.89,f=-5.2!) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 THR OG1 : rot -79:sc= -0.418! USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 7.741 12.756 -5.577 1.00 0.00 N ATOM 19 CA ALA A 2 9.127 12.317 -5.589 1.00 0.00 C ATOM 20 C ALA A 2 9.173 10.837 -5.903 1.00 0.00 C ATOM 21 O ALA A 2 9.918 10.392 -6.776 1.00 0.00 O ATOM 22 CB ALA A 2 9.806 12.618 -4.258 1.00 0.00 C ATOM 0 HA ALA A 2 9.672 12.863 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.842 12.280 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.781 13.692 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.282 12.098 -3.456 1.00 0.00 H new ATOM 28 N TYR A 3 8.376 10.094 -5.195 1.00 0.00 N ATOM 29 CA TYR A 3 8.219 8.692 -5.442 1.00 0.00 C ATOM 30 C TYR A 3 7.063 8.498 -6.388 1.00 0.00 C ATOM 31 O TYR A 3 6.061 9.222 -6.307 1.00 0.00 O ATOM 32 CB TYR A 3 7.970 7.919 -4.134 1.00 0.00 C ATOM 33 CG TYR A 3 9.175 7.798 -3.204 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.630 8.886 -2.462 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.847 6.587 -3.060 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.714 8.772 -1.612 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.930 6.463 -2.203 1.00 0.00 C ATOM 38 CZ TYR A 3 11.359 7.559 -1.482 1.00 0.00 C ATOM 39 OH TYR A 3 12.432 7.440 -0.611 1.00 0.00 O ATOM 0 H TYR A 3 7.811 10.447 -4.423 1.00 0.00 H new ATOM 0 HA TYR A 3 9.136 8.302 -5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.161 8.408 -3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.624 6.916 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.126 9.837 -2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.519 5.728 -3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.055 9.630 -1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.435 5.514 -2.100 1.00 0.00 H new ATOM 0 HH TYR A 3 13.044 6.748 -0.938 1.00 0.00 H new ATOM 49 N PHE A 4 7.212 7.583 -7.304 1.00 0.00 N ATOM 50 CA PHE A 4 6.154 7.261 -8.226 1.00 0.00 C ATOM 51 C PHE A 4 5.293 6.162 -7.595 1.00 0.00 C ATOM 52 O PHE A 4 5.455 5.843 -6.412 1.00 0.00 O ATOM 53 CB PHE A 4 6.724 6.807 -9.581 1.00 0.00 C ATOM 54 CG PHE A 4 7.815 7.697 -10.105 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.528 8.950 -10.616 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.137 7.278 -10.067 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.539 9.767 -11.083 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.150 8.085 -10.527 1.00 0.00 C ATOM 59 CZ PHE A 4 9.853 9.334 -11.038 1.00 0.00 C ATOM 0 H PHE A 4 8.066 7.040 -7.434 1.00 0.00 H new ATOM 0 HA PHE A 4 5.545 8.145 -8.418 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.111 5.793 -9.481 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.916 6.769 -10.311 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.504 9.292 -10.650 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.374 6.302 -9.670 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.305 10.743 -11.483 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.174 7.744 -10.489 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.645 9.972 -11.402 1.00 0.00 H new ATOM 69 N LEU A 5 4.420 5.568 -8.353 1.00 0.00 N ATOM 70 CA LEU A 5 3.495 4.622 -7.797 1.00 0.00 C ATOM 71 C LEU A 5 3.509 3.314 -8.588 1.00 0.00 C ATOM 72 O LEU A 5 3.644 3.320 -9.803 1.00 0.00 O ATOM 73 CB LEU A 5 2.111 5.273 -7.798 1.00 0.00 C ATOM 74 CG LEU A 5 0.941 4.475 -7.251 1.00 0.00 C ATOM 75 CD1 LEU A 5 1.154 4.112 -5.787 1.00 0.00 C ATOM 76 CD2 LEU A 5 -0.323 5.287 -7.414 1.00 0.00 C ATOM 0 H LEU A 5 4.328 5.720 -9.357 1.00 0.00 H new ATOM 0 HA LEU A 5 3.778 4.364 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.178 6.199 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.874 5.549 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 5 0.857 3.542 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.299 3.541 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.059 3.512 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.257 5.023 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.170 4.723 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.227 6.224 -6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.485 5.501 -8.471 1.00 0.00 H new ATOM 88 N ASP A 6 3.378 2.224 -7.890 1.00 0.00 N ATOM 89 CA ASP A 6 3.354 0.883 -8.477 1.00 0.00 C ATOM 90 C ASP A 6 2.351 0.036 -7.735 1.00 0.00 C ATOM 91 O ASP A 6 2.043 0.314 -6.584 1.00 0.00 O ATOM 92 CB ASP A 6 4.739 0.197 -8.417 1.00 0.00 C ATOM 93 CG ASP A 6 5.567 0.321 -9.689 1.00 0.00 C ATOM 94 OD1 ASP A 6 6.313 1.300 -9.857 1.00 0.00 O ATOM 95 OD2 ASP A 6 5.527 -0.610 -10.521 1.00 0.00 O ATOM 0 H ASP A 6 3.282 2.224 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 6 3.076 0.983 -9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.305 0.623 -7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.596 -0.860 -8.195 1.00 0.00 H new ATOM 100 N PHE A 7 1.816 -0.955 -8.391 1.00 0.00 N ATOM 101 CA PHE A 7 0.868 -1.888 -7.775 1.00 0.00 C ATOM 102 C PHE A 7 1.117 -3.298 -8.228 1.00 0.00 C ATOM 103 O PHE A 7 1.461 -3.528 -9.374 1.00 0.00 O ATOM 104 CB PHE A 7 -0.593 -1.544 -8.124 1.00 0.00 C ATOM 105 CG PHE A 7 -1.240 -0.477 -7.297 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.063 0.852 -7.592 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.053 -0.817 -6.231 1.00 0.00 C ATOM 108 CE1 PHE A 7 -1.679 1.828 -6.844 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.676 0.157 -5.478 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.488 1.483 -5.786 1.00 0.00 C ATOM 0 H PHE A 7 2.015 -1.153 -9.372 1.00 0.00 H new ATOM 0 HA PHE A 7 1.022 -1.798 -6.700 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.632 -1.237 -9.169 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.189 -2.453 -8.036 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.432 1.135 -8.422 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.202 -1.858 -5.985 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.527 2.869 -7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.310 -0.122 -4.649 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.973 2.250 -5.201 1.00 0.00 H new ATOM 120 N ASP A 8 0.962 -4.219 -7.323 1.00 0.00 N ATOM 121 CA ASP A 8 0.964 -5.648 -7.637 1.00 0.00 C ATOM 122 C ASP A 8 -0.307 -5.975 -8.431 1.00 0.00 C ATOM 123 O ASP A 8 -1.351 -5.328 -8.215 1.00 0.00 O ATOM 124 CB ASP A 8 1.042 -6.458 -6.320 1.00 0.00 C ATOM 125 CG ASP A 8 0.305 -7.786 -6.359 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.799 -8.755 -6.957 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.801 -7.856 -5.781 1.00 0.00 O ATOM 0 H ASP A 8 0.828 -4.015 -6.333 1.00 0.00 H new ATOM 0 HA ASP A 8 1.829 -5.915 -8.245 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.090 -6.644 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.634 -5.853 -5.510 1.00 0.00 H new ATOM 132 N GLU A 9 -0.227 -6.933 -9.369 1.00 0.00 N ATOM 133 CA GLU A 9 -1.381 -7.304 -10.199 1.00 0.00 C ATOM 134 C GLU A 9 -2.607 -7.668 -9.384 1.00 0.00 C ATOM 135 O GLU A 9 -3.735 -7.356 -9.779 1.00 0.00 O ATOM 136 CB GLU A 9 -1.096 -8.461 -11.144 1.00 0.00 C ATOM 137 CG GLU A 9 -0.123 -8.180 -12.254 1.00 0.00 C ATOM 138 CD GLU A 9 -0.146 -9.289 -13.265 1.00 0.00 C ATOM 139 OE1 GLU A 9 0.456 -10.358 -13.024 1.00 0.00 O ATOM 140 OE2 GLU A 9 -0.822 -9.138 -14.308 1.00 0.00 O ATOM 0 H GLU A 9 0.622 -7.462 -9.570 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.579 -6.402 -10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.716 -9.298 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.038 -8.783 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.375 -7.235 -12.736 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.882 -8.072 -11.846 1.00 0.00 H new ATOM 147 N ARG A 10 -2.398 -8.303 -8.258 1.00 0.00 N ATOM 148 CA ARG A 10 -3.501 -8.759 -7.446 1.00 0.00 C ATOM 149 C ARG A 10 -4.124 -7.537 -6.766 1.00 0.00 C ATOM 150 O ARG A 10 -5.342 -7.384 -6.743 1.00 0.00 O ATOM 151 CB ARG A 10 -3.018 -9.784 -6.407 1.00 0.00 C ATOM 152 CG ARG A 10 -2.022 -10.802 -6.967 1.00 0.00 C ATOM 153 CD ARG A 10 -1.534 -11.754 -5.893 1.00 0.00 C ATOM 154 NE ARG A 10 -0.335 -12.511 -6.314 1.00 0.00 N ATOM 155 CZ ARG A 10 0.061 -13.697 -5.801 1.00 0.00 C ATOM 156 NH1 ARG A 10 -0.684 -14.331 -4.902 1.00 0.00 N ATOM 157 NH2 ARG A 10 1.209 -14.240 -6.193 1.00 0.00 N ATOM 0 H ARG A 10 -1.474 -8.517 -7.882 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.247 -9.256 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.554 -9.254 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.881 -10.316 -6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.493 -11.369 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.172 -10.278 -7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.306 -11.191 -4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.332 -12.453 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 10 0.240 -12.105 -7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.566 -13.923 -4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.374 -15.226 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.791 -13.762 -6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.508 -15.135 -5.806 1.00 0.00 H new ATOM 171 N ALA A 11 -3.255 -6.640 -6.286 1.00 0.00 N ATOM 172 CA ALA A 11 -3.654 -5.374 -5.646 1.00 0.00 C ATOM 173 C ALA A 11 -4.486 -4.491 -6.591 1.00 0.00 C ATOM 174 O ALA A 11 -5.370 -3.753 -6.149 1.00 0.00 O ATOM 175 CB ALA A 11 -2.433 -4.616 -5.150 1.00 0.00 C ATOM 0 H ALA A 11 -2.244 -6.771 -6.330 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.283 -5.626 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.749 -3.684 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.897 -5.225 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.776 -4.394 -5.991 1.00 0.00 H new ATOM 181 N LEU A 12 -4.199 -4.574 -7.889 1.00 0.00 N ATOM 182 CA LEU A 12 -4.975 -3.860 -8.922 1.00 0.00 C ATOM 183 C LEU A 12 -6.450 -4.249 -8.813 1.00 0.00 C ATOM 184 O LEU A 12 -7.358 -3.405 -8.735 1.00 0.00 O ATOM 185 CB LEU A 12 -4.487 -4.255 -10.326 1.00 0.00 C ATOM 186 CG LEU A 12 -3.027 -3.983 -10.695 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.726 -4.583 -12.051 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.745 -2.501 -10.736 1.00 0.00 C ATOM 0 H LEU A 12 -3.430 -5.131 -8.260 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.844 -2.789 -8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.667 -5.323 -10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.114 -3.738 -11.052 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.393 -4.438 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.686 -4.388 -12.312 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.897 -5.659 -12.019 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.378 -4.134 -12.800 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.700 -2.337 -11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.386 -2.029 -11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.944 -2.066 -9.757 1.00 0.00 H new ATOM 200 N LYS A 13 -6.668 -5.539 -8.715 1.00 0.00 N ATOM 201 CA LYS A 13 -8.004 -6.108 -8.703 1.00 0.00 C ATOM 202 C LYS A 13 -8.629 -5.864 -7.333 1.00 0.00 C ATOM 203 O LYS A 13 -9.839 -5.962 -7.143 1.00 0.00 O ATOM 204 CB LYS A 13 -7.921 -7.620 -8.965 1.00 0.00 C ATOM 205 CG LYS A 13 -6.869 -8.026 -9.998 1.00 0.00 C ATOM 206 CD LYS A 13 -7.109 -7.448 -11.387 1.00 0.00 C ATOM 207 CE LYS A 13 -5.860 -7.638 -12.239 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.059 -7.272 -13.649 1.00 0.00 N ATOM 0 H LYS A 13 -5.922 -6.231 -8.641 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.612 -5.642 -9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.704 -8.128 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.897 -7.972 -9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.888 -7.706 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.844 -9.113 -10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.960 -7.941 -11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.355 -6.389 -11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.051 -7.036 -11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.544 -8.680 -12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.175 -7.423 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.811 -7.863 -14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.333 -6.271 -13.712 1.00 0.00 H new ATOM 222 N GLU A 14 -7.789 -5.521 -6.389 1.00 0.00 N ATOM 223 CA GLU A 14 -8.197 -5.285 -5.044 1.00 0.00 C ATOM 224 C GLU A 14 -8.828 -3.941 -4.826 1.00 0.00 C ATOM 225 O GLU A 14 -9.588 -3.775 -3.911 1.00 0.00 O ATOM 226 CB GLU A 14 -7.084 -5.484 -4.089 1.00 0.00 C ATOM 227 CG GLU A 14 -6.681 -6.925 -3.947 1.00 0.00 C ATOM 228 CD GLU A 14 -5.795 -7.177 -2.777 1.00 0.00 C ATOM 229 OE1 GLU A 14 -4.752 -6.530 -2.642 1.00 0.00 O ATOM 230 OE2 GLU A 14 -6.103 -8.088 -1.987 1.00 0.00 O ATOM 0 H GLU A 14 -6.789 -5.398 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.970 -6.030 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.223 -4.902 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.377 -5.097 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.577 -7.538 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.170 -7.243 -4.856 1.00 0.00 H new ATOM 237 N TRP A 15 -8.515 -2.979 -5.620 1.00 0.00 N ATOM 238 CA TRP A 15 -9.221 -1.714 -5.464 1.00 0.00 C ATOM 239 C TRP A 15 -10.478 -1.748 -6.308 1.00 0.00 C ATOM 240 O TRP A 15 -11.421 -0.977 -6.109 1.00 0.00 O ATOM 241 CB TRP A 15 -8.362 -0.446 -5.783 1.00 0.00 C ATOM 242 CG TRP A 15 -8.112 -0.134 -7.258 1.00 0.00 C ATOM 243 CD1 TRP A 15 -9.036 0.282 -8.183 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.858 -0.127 -7.944 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.449 0.485 -9.388 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.117 0.254 -9.281 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.555 -0.418 -7.577 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.120 0.354 -10.235 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.567 -0.314 -8.530 1.00 0.00 C ATOM 250 CH2 TRP A 15 -4.854 0.070 -9.842 1.00 0.00 C ATOM 0 H TRP A 15 -7.812 -3.016 -6.358 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.469 -1.616 -4.407 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.851 0.417 -5.332 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.396 -0.558 -5.291 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -10.087 0.428 -7.979 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.933 0.767 -10.241 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.319 -0.719 -6.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.341 0.646 -11.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.546 -0.535 -8.257 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.050 0.142 -10.559 1.00 0.00 H new ATOM 261 N ARG A 16 -10.475 -2.640 -7.264 1.00 0.00 N ATOM 262 CA ARG A 16 -11.583 -2.769 -8.193 1.00 0.00 C ATOM 263 C ARG A 16 -12.749 -3.545 -7.584 1.00 0.00 C ATOM 264 O ARG A 16 -13.901 -3.422 -8.023 1.00 0.00 O ATOM 265 CB ARG A 16 -11.100 -3.402 -9.487 1.00 0.00 C ATOM 266 CG ARG A 16 -10.015 -2.580 -10.162 1.00 0.00 C ATOM 267 CD ARG A 16 -9.568 -3.180 -11.474 1.00 0.00 C ATOM 268 NE ARG A 16 -10.695 -3.414 -12.384 1.00 0.00 N ATOM 269 CZ ARG A 16 -10.601 -3.793 -13.658 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.415 -3.888 -14.260 1.00 0.00 N ATOM 271 NH2 ARG A 16 -11.706 -4.054 -14.342 1.00 0.00 N ATOM 0 H ARG A 16 -9.712 -3.297 -7.426 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.962 -1.772 -8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.719 -4.402 -9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.942 -3.517 -10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.384 -1.569 -10.335 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.158 -2.496 -9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.849 -2.514 -11.951 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.053 -4.122 -11.285 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.633 -3.274 -12.008 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.562 -3.669 -13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.360 -4.180 -15.236 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.617 -3.964 -13.893 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.645 -4.345 -15.318 1.00 0.00 H new ATOM 285 N LYS A 17 -12.451 -4.316 -6.565 1.00 0.00 N ATOM 286 CA LYS A 17 -13.459 -5.097 -5.850 1.00 0.00 C ATOM 287 C LYS A 17 -14.200 -4.234 -4.834 1.00 0.00 C ATOM 288 O LYS A 17 -15.319 -4.563 -4.426 1.00 0.00 O ATOM 289 CB LYS A 17 -12.800 -6.228 -5.068 1.00 0.00 C ATOM 290 CG LYS A 17 -11.742 -5.698 -4.124 1.00 0.00 C ATOM 291 CD LYS A 17 -11.535 -6.522 -2.885 1.00 0.00 C ATOM 292 CE LYS A 17 -10.979 -7.894 -3.192 1.00 0.00 C ATOM 293 NZ LYS A 17 -10.757 -8.690 -1.965 1.00 0.00 N ATOM 0 H LYS A 17 -11.505 -4.426 -6.200 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.149 -5.486 -6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.557 -6.771 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.349 -6.938 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.796 -5.631 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.013 -4.684 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.854 -5.999 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.484 -6.627 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.668 -8.425 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.038 -7.791 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.376 -9.623 -2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.080 -8.196 -1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.659 -8.811 -1.462 1.00 0.00 H new ATOM 307 N LEU A 18 -13.578 -3.161 -4.420 1.00 0.00 N ATOM 308 CA LEU A 18 -14.099 -2.379 -3.342 1.00 0.00 C ATOM 309 C LEU A 18 -14.670 -1.059 -3.827 1.00 0.00 C ATOM 310 O LEU A 18 -14.538 -0.718 -5.013 1.00 0.00 O ATOM 311 CB LEU A 18 -13.027 -2.226 -2.226 1.00 0.00 C ATOM 312 CG LEU A 18 -11.638 -1.679 -2.624 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.648 -0.196 -2.944 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.618 -1.979 -1.555 1.00 0.00 C ATOM 0 H LEU A 18 -12.706 -2.812 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.944 -2.905 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.436 -1.570 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.882 -3.204 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.359 -2.195 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.642 0.124 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.326 -0.008 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.983 0.363 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.648 -1.585 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.924 -1.512 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.544 -3.057 -1.415 1.00 0.00 H new ATOM 326 N GLY A 19 -15.287 -0.323 -2.928 1.00 0.00 N ATOM 327 CA GLY A 19 -15.917 0.926 -3.277 1.00 0.00 C ATOM 328 C GLY A 19 -14.926 2.034 -3.573 1.00 0.00 C ATOM 329 O GLY A 19 -13.866 2.134 -2.930 1.00 0.00 O ATOM 0 H GLY A 19 -15.364 -0.573 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.552 0.773 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.567 1.238 -2.460 1.00 0.00 H new ATOM 333 N SER A 20 -15.290 2.880 -4.518 1.00 0.00 N ATOM 334 CA SER A 20 -14.487 3.998 -4.965 1.00 0.00 C ATOM 335 C SER A 20 -14.119 4.902 -3.802 1.00 0.00 C ATOM 336 O SER A 20 -12.974 5.304 -3.682 1.00 0.00 O ATOM 337 CB SER A 20 -15.256 4.793 -6.028 1.00 0.00 C ATOM 338 OG SER A 20 -14.498 5.891 -6.548 1.00 0.00 O ATOM 0 H SER A 20 -16.180 2.804 -5.010 1.00 0.00 H new ATOM 0 HA SER A 20 -13.564 3.611 -5.398 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.532 4.127 -6.846 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.183 5.169 -5.596 1.00 0.00 H new ATOM 0 HG SER A 20 -14.534 6.641 -5.918 1.00 0.00 H new ATOM 344 N THR A 21 -15.074 5.145 -2.914 1.00 0.00 N ATOM 345 CA THR A 21 -14.887 6.032 -1.779 1.00 0.00 C ATOM 346 C THR A 21 -13.684 5.586 -0.910 1.00 0.00 C ATOM 347 O THR A 21 -12.974 6.406 -0.338 1.00 0.00 O ATOM 348 CB THR A 21 -16.167 6.047 -0.933 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.301 6.205 -1.810 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.144 7.205 0.056 1.00 0.00 C ATOM 0 H THR A 21 -16.004 4.729 -2.963 1.00 0.00 H new ATOM 0 HA THR A 21 -14.677 7.034 -2.152 1.00 0.00 H new ATOM 0 HB THR A 21 -16.236 5.111 -0.378 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.125 6.214 -1.280 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.060 7.198 0.646 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.285 7.101 0.719 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.070 8.147 -0.488 1.00 0.00 H new ATOM 358 N VAL A 22 -13.439 4.297 -0.879 1.00 0.00 N ATOM 359 CA VAL A 22 -12.351 3.737 -0.113 1.00 0.00 C ATOM 360 C VAL A 22 -11.007 4.022 -0.792 1.00 0.00 C ATOM 361 O VAL A 22 -10.085 4.550 -0.168 1.00 0.00 O ATOM 362 CB VAL A 22 -12.541 2.213 0.070 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.349 1.577 0.765 1.00 0.00 C ATOM 364 CG2 VAL A 22 -13.814 1.932 0.848 1.00 0.00 C ATOM 0 H VAL A 22 -13.991 3.605 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.352 4.210 0.869 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.621 1.768 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.521 0.506 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.451 1.741 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.219 2.027 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.936 0.856 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.753 2.404 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.669 2.335 0.305 1.00 0.00 H new ATOM 374 N ARG A 23 -10.927 3.738 -2.074 1.00 0.00 N ATOM 375 CA ARG A 23 -9.673 3.870 -2.806 1.00 0.00 C ATOM 376 C ARG A 23 -9.274 5.334 -3.007 1.00 0.00 C ATOM 377 O ARG A 23 -8.096 5.649 -3.120 1.00 0.00 O ATOM 378 CB ARG A 23 -9.720 3.096 -4.130 1.00 0.00 C ATOM 379 CG ARG A 23 -10.703 3.629 -5.145 1.00 0.00 C ATOM 380 CD ARG A 23 -10.850 2.672 -6.299 1.00 0.00 C ATOM 381 NE ARG A 23 -11.759 3.175 -7.311 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.568 2.427 -8.058 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.668 1.109 -7.842 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.292 3.004 -9.006 1.00 0.00 N ATOM 0 H ARG A 23 -11.713 3.413 -2.637 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.890 3.421 -2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.724 3.102 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.968 2.056 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.672 3.787 -4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.365 4.599 -5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.873 2.492 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.213 1.713 -5.930 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.780 4.183 -7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.122 0.671 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.290 0.543 -8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.226 4.011 -9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.916 2.442 -9.585 1.00 0.00 H new ATOM 398 N GLU A 24 -10.253 6.221 -3.014 1.00 0.00 N ATOM 399 CA GLU A 24 -9.993 7.642 -3.154 1.00 0.00 C ATOM 400 C GLU A 24 -9.328 8.178 -1.894 1.00 0.00 C ATOM 401 O GLU A 24 -8.423 9.006 -1.971 1.00 0.00 O ATOM 402 CB GLU A 24 -11.276 8.402 -3.478 1.00 0.00 C ATOM 403 CG GLU A 24 -11.895 7.970 -4.794 1.00 0.00 C ATOM 404 CD GLU A 24 -13.191 8.652 -5.084 1.00 0.00 C ATOM 405 OE1 GLU A 24 -13.197 9.752 -5.663 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.245 8.099 -4.727 1.00 0.00 O ATOM 0 H GLU A 24 -11.240 5.980 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.309 7.793 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.997 8.249 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.061 9.470 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.194 8.176 -5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.055 6.892 -4.777 1.00 0.00 H new ATOM 413 N GLN A 25 -9.743 7.653 -0.739 1.00 0.00 N ATOM 414 CA GLN A 25 -9.130 8.021 0.539 1.00 0.00 C ATOM 415 C GLN A 25 -7.673 7.579 0.535 1.00 0.00 C ATOM 416 O GLN A 25 -6.775 8.305 0.981 1.00 0.00 O ATOM 417 CB GLN A 25 -9.848 7.354 1.715 1.00 0.00 C ATOM 418 CG GLN A 25 -11.296 7.762 1.918 1.00 0.00 C ATOM 419 CD GLN A 25 -11.916 7.060 3.116 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.844 7.550 4.248 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.541 5.936 2.883 1.00 0.00 N ATOM 0 H GLN A 25 -10.499 6.973 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.207 9.102 0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.810 6.274 1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.295 7.576 2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.354 8.841 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.869 7.527 1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.580 5.561 1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.990 5.434 3.649 1.00 0.00 H new ATOM 430 N LEU A 26 -7.453 6.396 -0.006 1.00 0.00 N ATOM 431 CA LEU A 26 -6.126 5.827 -0.128 1.00 0.00 C ATOM 432 C LEU A 26 -5.235 6.687 -1.014 1.00 0.00 C ATOM 433 O LEU A 26 -4.080 6.892 -0.697 1.00 0.00 O ATOM 434 CB LEU A 26 -6.202 4.387 -0.646 1.00 0.00 C ATOM 435 CG LEU A 26 -6.917 3.386 0.274 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.051 2.038 -0.398 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.164 3.239 1.589 1.00 0.00 C ATOM 0 H LEU A 26 -8.194 5.800 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.675 5.806 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.710 4.393 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.187 4.030 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.916 3.771 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.560 1.346 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.629 2.145 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.061 1.650 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.684 2.526 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.154 2.879 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.114 4.206 2.089 1.00 0.00 H new ATOM 449 N LYS A 27 -5.800 7.225 -2.097 1.00 0.00 N ATOM 450 CA LYS A 27 -5.062 8.123 -3.001 1.00 0.00 C ATOM 451 C LYS A 27 -4.549 9.364 -2.258 1.00 0.00 C ATOM 452 O LYS A 27 -3.436 9.825 -2.493 1.00 0.00 O ATOM 453 CB LYS A 27 -5.923 8.550 -4.207 1.00 0.00 C ATOM 454 CG LYS A 27 -6.250 7.425 -5.194 1.00 0.00 C ATOM 455 CD LYS A 27 -7.111 7.911 -6.374 1.00 0.00 C ATOM 456 CE LYS A 27 -6.449 9.055 -7.139 1.00 0.00 C ATOM 457 NZ LYS A 27 -7.213 9.459 -8.340 1.00 0.00 N ATOM 0 H LYS A 27 -6.767 7.057 -2.373 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.206 7.561 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.857 8.972 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.404 9.345 -4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.322 6.999 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.775 6.626 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.294 7.079 -7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.082 8.239 -6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.341 9.914 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.445 8.754 -7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.655 10.141 -8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.412 8.621 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.109 9.900 -8.049 1.00 0.00 H new ATOM 471 N LYS A 28 -5.354 9.869 -1.337 1.00 0.00 N ATOM 472 CA LYS A 28 -4.989 11.044 -0.538 1.00 0.00 C ATOM 473 C LYS A 28 -3.807 10.742 0.376 1.00 0.00 C ATOM 474 O LYS A 28 -2.881 11.570 0.548 1.00 0.00 O ATOM 475 CB LYS A 28 -6.189 11.539 0.296 1.00 0.00 C ATOM 476 CG LYS A 28 -7.187 12.531 -0.370 1.00 0.00 C ATOM 477 CD LYS A 28 -7.819 12.071 -1.691 1.00 0.00 C ATOM 478 CE LYS A 28 -6.897 12.261 -2.902 1.00 0.00 C ATOM 479 NZ LYS A 28 -6.502 13.678 -3.092 1.00 0.00 N ATOM 0 H LYS A 28 -6.273 9.485 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.697 11.833 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.754 10.664 0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.797 12.014 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.988 12.739 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.667 13.472 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.089 11.018 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.743 12.625 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.003 11.651 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.401 11.903 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.621 13.940 -4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.102 14.288 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.506 13.801 -2.818 1.00 0.00 H new ATOM 493 N LYS A 29 -3.796 9.567 0.943 1.00 0.00 N ATOM 494 CA LYS A 29 -2.738 9.237 1.853 1.00 0.00 C ATOM 495 C LYS A 29 -1.464 8.911 1.084 1.00 0.00 C ATOM 496 O LYS A 29 -0.379 9.210 1.531 1.00 0.00 O ATOM 497 CB LYS A 29 -3.125 8.112 2.835 1.00 0.00 C ATOM 498 CG LYS A 29 -4.466 8.322 3.586 1.00 0.00 C ATOM 499 CD LYS A 29 -4.668 9.763 4.111 1.00 0.00 C ATOM 500 CE LYS A 29 -3.565 10.241 5.053 1.00 0.00 C ATOM 501 NZ LYS A 29 -3.538 9.525 6.341 1.00 0.00 N ATOM 0 H LYS A 29 -4.492 8.837 0.795 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.550 10.115 2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.179 7.173 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.328 8.004 3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.289 8.070 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.514 7.629 4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.726 10.443 3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.625 9.819 4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.600 10.121 4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.696 11.306 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.767 9.899 6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.445 9.659 6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.383 8.511 6.171 1.00 0.00 H new ATOM 515 N LEU A 30 -1.617 8.364 -0.099 1.00 0.00 N ATOM 516 CA LEU A 30 -0.483 8.030 -0.934 1.00 0.00 C ATOM 517 C LEU A 30 0.198 9.280 -1.467 1.00 0.00 C ATOM 518 O LEU A 30 1.419 9.343 -1.502 1.00 0.00 O ATOM 519 CB LEU A 30 -0.880 7.107 -2.094 1.00 0.00 C ATOM 520 CG LEU A 30 -1.371 5.702 -1.719 1.00 0.00 C ATOM 521 CD1 LEU A 30 -1.783 4.936 -2.966 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.292 4.936 -0.961 1.00 0.00 C ATOM 0 H LEU A 30 -2.523 8.139 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 30 0.225 7.492 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.665 7.600 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.020 7.002 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.239 5.806 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.129 3.941 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.587 5.470 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.929 4.846 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.662 3.943 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.595 4.842 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.037 5.474 -0.048 1.00 0.00 H new ATOM 534 N VAL A 31 -0.589 10.297 -1.829 1.00 0.00 N ATOM 535 CA VAL A 31 -0.023 11.515 -2.411 1.00 0.00 C ATOM 536 C VAL A 31 0.925 12.212 -1.439 1.00 0.00 C ATOM 537 O VAL A 31 1.932 12.794 -1.862 1.00 0.00 O ATOM 538 CB VAL A 31 -1.100 12.518 -2.972 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.917 13.172 -1.883 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.468 13.568 -3.880 1.00 0.00 C ATOM 0 H VAL A 31 -1.604 10.302 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 31 0.550 11.182 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.789 11.919 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.642 13.852 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.442 12.406 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.257 13.731 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.241 14.243 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.273 14.137 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.016 13.076 -4.723 1.00 0.00 H new ATOM 550 N GLU A 32 0.636 12.134 -0.138 1.00 0.00 N ATOM 551 CA GLU A 32 1.543 12.737 0.824 1.00 0.00 C ATOM 552 C GLU A 32 2.807 11.876 1.046 1.00 0.00 C ATOM 553 O GLU A 32 3.904 12.416 1.263 1.00 0.00 O ATOM 554 CB GLU A 32 0.862 13.078 2.158 1.00 0.00 C ATOM 555 CG GLU A 32 0.303 11.897 2.913 1.00 0.00 C ATOM 556 CD GLU A 32 -0.164 12.267 4.289 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.304 12.733 4.439 1.00 0.00 O ATOM 558 OE2 GLU A 32 0.607 12.084 5.257 1.00 0.00 O ATOM 0 H GLU A 32 -0.186 11.677 0.257 1.00 0.00 H new ATOM 0 HA GLU A 32 1.858 13.683 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.583 13.589 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.053 13.782 1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.529 11.472 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.066 11.122 2.987 1.00 0.00 H new ATOM 565 N VAL A 33 2.683 10.547 0.938 1.00 0.00 N ATOM 566 CA VAL A 33 3.838 9.664 1.191 1.00 0.00 C ATOM 567 C VAL A 33 4.761 9.667 0.022 1.00 0.00 C ATOM 568 O VAL A 33 5.900 9.288 0.135 1.00 0.00 O ATOM 569 CB VAL A 33 3.462 8.195 1.550 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.338 8.183 2.491 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.176 7.308 0.340 1.00 0.00 C ATOM 0 H VAL A 33 1.820 10.065 0.684 1.00 0.00 H new ATOM 0 HA VAL A 33 4.328 10.079 2.071 1.00 0.00 H new ATOM 0 HB VAL A 33 4.343 7.758 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.081 7.153 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.619 8.714 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.477 8.673 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.923 6.303 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.341 7.722 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.060 7.265 -0.297 1.00 0.00 H new ATOM 581 N LEU A 34 4.267 10.113 -1.099 1.00 0.00 N ATOM 582 CA LEU A 34 5.101 10.189 -2.287 1.00 0.00 C ATOM 583 C LEU A 34 6.274 11.164 -2.082 1.00 0.00 C ATOM 584 O LEU A 34 7.283 11.093 -2.781 1.00 0.00 O ATOM 585 CB LEU A 34 4.315 10.537 -3.557 1.00 0.00 C ATOM 586 CG LEU A 34 3.207 9.562 -3.985 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.589 10.007 -5.289 1.00 0.00 C ATOM 588 CD2 LEU A 34 3.740 8.149 -4.121 1.00 0.00 C ATOM 0 H LEU A 34 3.305 10.428 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 34 5.503 9.187 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.865 11.520 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.024 10.625 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 34 2.443 9.565 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.806 9.306 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.159 11.001 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.355 10.035 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.932 7.483 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.529 8.129 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.142 7.818 -3.163 1.00 0.00 H new ATOM 600 N GLU A 35 6.111 12.080 -1.143 1.00 0.00 N ATOM 601 CA GLU A 35 7.171 12.981 -0.754 1.00 0.00 C ATOM 602 C GLU A 35 7.937 12.433 0.452 1.00 0.00 C ATOM 603 O GLU A 35 9.165 12.595 0.553 1.00 0.00 O ATOM 604 CB GLU A 35 6.627 14.381 -0.452 1.00 0.00 C ATOM 605 CG GLU A 35 6.554 15.331 -1.652 1.00 0.00 C ATOM 606 CD GLU A 35 5.771 14.798 -2.825 1.00 0.00 C ATOM 607 OE1 GLU A 35 4.540 14.982 -2.878 1.00 0.00 O ATOM 608 OE2 GLU A 35 6.374 14.215 -3.738 1.00 0.00 O ATOM 0 H GLU A 35 5.239 12.216 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 35 7.861 13.061 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.628 14.280 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.253 14.838 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.106 16.270 -1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.568 15.558 -1.981 1.00 0.00 H new ATOM 615 N SER A 36 7.230 11.786 1.363 1.00 0.00 N ATOM 616 CA SER A 36 7.844 11.247 2.575 1.00 0.00 C ATOM 617 C SER A 36 7.137 9.945 3.022 1.00 0.00 C ATOM 618 O SER A 36 6.134 9.991 3.750 1.00 0.00 O ATOM 619 CB SER A 36 7.804 12.297 3.699 1.00 0.00 C ATOM 620 OG SER A 36 8.386 13.531 3.266 1.00 0.00 O ATOM 0 H SER A 36 6.227 11.618 1.290 1.00 0.00 H new ATOM 0 HA SER A 36 8.884 11.005 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.772 12.466 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.341 11.923 4.571 1.00 0.00 H new ATOM 0 HG SER A 36 8.348 14.184 3.996 1.00 0.00 H new ATOM 626 N PRO A 37 7.595 8.774 2.529 1.00 0.00 N ATOM 627 CA PRO A 37 6.992 7.493 2.857 1.00 0.00 C ATOM 628 C PRO A 37 7.685 6.734 3.988 1.00 0.00 C ATOM 629 O PRO A 37 7.329 5.594 4.274 1.00 0.00 O ATOM 630 CB PRO A 37 7.140 6.730 1.549 1.00 0.00 C ATOM 631 CG PRO A 37 8.431 7.227 0.967 1.00 0.00 C ATOM 632 CD PRO A 37 8.672 8.612 1.535 1.00 0.00 C ATOM 0 HA PRO A 37 5.972 7.616 3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.170 5.654 1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.302 6.924 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.252 6.557 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.375 7.261 -0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.657 8.690 1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.620 9.377 0.760 1.00 0.00 H new ATOM 640 N ARG A 38 8.649 7.337 4.638 1.00 0.00 N ATOM 641 CA ARG A 38 9.348 6.642 5.693 1.00 0.00 C ATOM 642 C ARG A 38 8.723 6.915 7.043 1.00 0.00 C ATOM 643 O ARG A 38 9.279 7.618 7.893 1.00 0.00 O ATOM 644 CB ARG A 38 10.855 6.899 5.678 1.00 0.00 C ATOM 645 CG ARG A 38 11.528 6.430 4.398 1.00 0.00 C ATOM 646 CD ARG A 38 13.013 6.701 4.425 1.00 0.00 C ATOM 647 NE ARG A 38 13.676 6.290 3.180 1.00 0.00 N ATOM 648 CZ ARG A 38 14.840 6.788 2.741 1.00 0.00 C ATOM 649 NH1 ARG A 38 15.528 7.640 3.487 1.00 0.00 N ATOM 650 NH2 ARG A 38 15.328 6.396 1.584 1.00 0.00 N ATOM 0 H ARG A 38 8.965 8.291 4.461 1.00 0.00 H new ATOM 0 HA ARG A 38 9.234 5.576 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.037 7.966 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.312 6.393 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.354 5.362 4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.080 6.936 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.183 7.765 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.462 6.171 5.265 1.00 0.00 H new ATOM 0 HE ARG A 38 13.219 5.577 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.172 7.920 4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.413 8.016 3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.820 5.713 1.021 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.214 6.775 1.249 1.00 0.00 H new ATOM 664 N ILE A 39 7.536 6.390 7.198 1.00 0.00 N ATOM 665 CA ILE A 39 6.771 6.520 8.407 1.00 0.00 C ATOM 666 C ILE A 39 7.095 5.301 9.261 1.00 0.00 C ATOM 667 O ILE A 39 6.435 4.263 9.160 1.00 0.00 O ATOM 668 CB ILE A 39 5.246 6.543 8.102 1.00 0.00 C ATOM 669 CG1 ILE A 39 4.954 7.428 6.868 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.484 7.070 9.317 1.00 0.00 C ATOM 671 CD1 ILE A 39 3.509 7.421 6.423 1.00 0.00 C ATOM 0 H ILE A 39 7.066 5.850 6.472 1.00 0.00 H new ATOM 0 HA ILE A 39 7.021 7.452 8.914 1.00 0.00 H new ATOM 0 HB ILE A 39 4.916 5.527 7.884 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.247 8.453 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.578 7.093 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.416 7.084 9.099 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.671 6.421 10.173 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.821 8.081 9.547 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.393 8.067 5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.213 6.405 6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.877 7.786 7.233 1.00 0.00 H new ATOM 683 N GLU A 40 8.136 5.420 10.068 1.00 0.00 N ATOM 684 CA GLU A 40 8.707 4.297 10.827 1.00 0.00 C ATOM 685 C GLU A 40 7.704 3.583 11.734 1.00 0.00 C ATOM 686 O GLU A 40 7.809 2.376 11.952 1.00 0.00 O ATOM 687 CB GLU A 40 9.927 4.745 11.615 1.00 0.00 C ATOM 688 CG GLU A 40 9.643 5.787 12.670 1.00 0.00 C ATOM 689 CD GLU A 40 10.882 6.224 13.367 1.00 0.00 C ATOM 690 OE1 GLU A 40 11.348 5.523 14.287 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.425 7.281 13.009 1.00 0.00 O ATOM 0 H GLU A 40 8.620 6.304 10.223 1.00 0.00 H new ATOM 0 HA GLU A 40 9.008 3.559 10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.374 3.874 12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.667 5.142 10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.163 6.650 12.208 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.940 5.383 13.399 1.00 0.00 H new ATOM 698 N ALA A 41 6.726 4.309 12.205 1.00 0.00 N ATOM 699 CA ALA A 41 5.702 3.768 13.084 1.00 0.00 C ATOM 700 C ALA A 41 4.771 2.830 12.326 1.00 0.00 C ATOM 701 O ALA A 41 4.071 2.022 12.918 1.00 0.00 O ATOM 702 CB ALA A 41 4.907 4.895 13.727 1.00 0.00 C ATOM 0 H ALA A 41 6.609 5.300 11.993 1.00 0.00 H new ATOM 0 HA ALA A 41 6.197 3.195 13.868 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.144 4.474 14.382 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.577 5.527 14.310 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.429 5.492 12.950 1.00 0.00 H new ATOM 708 N ASN A 42 4.783 2.924 11.015 1.00 0.00 N ATOM 709 CA ASN A 42 3.933 2.079 10.204 1.00 0.00 C ATOM 710 C ASN A 42 4.710 1.003 9.500 1.00 0.00 C ATOM 711 O ASN A 42 4.159 0.263 8.696 1.00 0.00 O ATOM 712 CB ASN A 42 3.055 2.873 9.239 1.00 0.00 C ATOM 713 CG ASN A 42 1.942 3.609 9.963 1.00 0.00 C ATOM 714 OD1 ASN A 42 0.880 3.055 10.216 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.157 4.852 10.281 1.00 0.00 N ATOM 0 H ASN A 42 5.368 3.573 10.489 1.00 0.00 H new ATOM 0 HA ASN A 42 3.254 1.582 10.897 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.670 3.589 8.694 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.623 2.197 8.501 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.431 5.390 10.753 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.052 5.288 10.058 1.00 0.00 H new ATOM 722 N LYS A 43 5.992 0.914 9.809 1.00 0.00 N ATOM 723 CA LYS A 43 6.815 -0.168 9.312 1.00 0.00 C ATOM 724 C LYS A 43 6.301 -1.477 9.919 1.00 0.00 C ATOM 725 O LYS A 43 6.086 -1.565 11.145 1.00 0.00 O ATOM 726 CB LYS A 43 8.292 0.045 9.689 1.00 0.00 C ATOM 727 CG LYS A 43 9.061 1.082 8.870 1.00 0.00 C ATOM 728 CD LYS A 43 10.487 1.207 9.404 1.00 0.00 C ATOM 729 CE LYS A 43 11.357 2.252 8.679 1.00 0.00 C ATOM 730 NZ LYS A 43 11.663 1.910 7.275 1.00 0.00 N ATOM 0 H LYS A 43 6.484 1.581 10.403 1.00 0.00 H new ATOM 0 HA LYS A 43 6.754 -0.203 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.338 0.336 10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.808 -0.911 9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.080 0.789 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.557 2.047 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.443 1.463 10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.974 0.235 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.847 3.215 8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.293 2.372 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.671 2.082 7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.446 0.907 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.087 2.500 6.641 1.00 0.00 H new ATOM 744 N LEU A 44 6.096 -2.463 9.086 1.00 0.00 N ATOM 745 CA LEU A 44 5.546 -3.733 9.495 1.00 0.00 C ATOM 746 C LEU A 44 6.491 -4.501 10.397 1.00 0.00 C ATOM 747 O LEU A 44 7.683 -4.199 10.480 1.00 0.00 O ATOM 748 CB LEU A 44 5.196 -4.570 8.282 1.00 0.00 C ATOM 749 CG LEU A 44 4.074 -4.068 7.388 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.856 -5.035 6.240 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.794 -3.901 8.185 1.00 0.00 C ATOM 0 H LEU A 44 6.309 -2.408 8.090 1.00 0.00 H new ATOM 0 HA LEU A 44 4.642 -3.523 10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.094 -4.671 7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.931 -5.569 8.627 1.00 0.00 H new ATOM 0 HG LEU A 44 4.356 -3.096 6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.050 -4.669 5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.772 -5.117 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.589 -6.015 6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.001 -3.541 7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.504 -4.861 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.956 -3.181 8.987 1.00 0.00 H new ATOM 763 N ARG A 45 5.962 -5.512 11.042 1.00 0.00 N ATOM 764 CA ARG A 45 6.715 -6.298 11.974 1.00 0.00 C ATOM 765 C ARG A 45 7.564 -7.301 11.216 1.00 0.00 C ATOM 766 O ARG A 45 7.059 -8.306 10.738 1.00 0.00 O ATOM 767 CB ARG A 45 5.768 -7.038 12.927 1.00 0.00 C ATOM 768 CG ARG A 45 4.692 -6.175 13.585 1.00 0.00 C ATOM 769 CD ARG A 45 5.257 -4.948 14.276 1.00 0.00 C ATOM 770 NE ARG A 45 6.260 -5.277 15.289 1.00 0.00 N ATOM 771 CZ ARG A 45 7.074 -4.396 15.882 1.00 0.00 C ATOM 772 NH1 ARG A 45 6.965 -3.104 15.618 1.00 0.00 N ATOM 773 NH2 ARG A 45 7.985 -4.820 16.738 1.00 0.00 N ATOM 0 H ARG A 45 4.993 -5.810 10.931 1.00 0.00 H new ATOM 0 HA ARG A 45 7.359 -5.641 12.558 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.279 -7.840 12.375 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.363 -7.507 13.711 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.973 -5.860 12.828 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.146 -6.776 14.312 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.703 -4.290 13.530 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.443 -4.394 14.744 1.00 0.00 H new ATOM 0 HE ARG A 45 6.346 -6.255 15.565 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.258 -2.776 14.960 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.588 -2.436 16.073 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.066 -5.815 16.945 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.608 -4.152 17.192 1.00 0.00 H new ATOM 787 N GLY A 46 8.815 -6.983 11.029 1.00 0.00 N ATOM 788 CA GLY A 46 9.707 -7.874 10.321 1.00 0.00 C ATOM 789 C GLY A 46 9.929 -7.415 8.901 1.00 0.00 C ATOM 790 O GLY A 46 10.829 -7.890 8.217 1.00 0.00 O ATOM 0 H GLY A 46 9.244 -6.117 11.354 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.663 -7.925 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.291 -8.882 10.319 1.00 0.00 H new ATOM 794 N MET A 47 9.111 -6.491 8.464 1.00 0.00 N ATOM 795 CA MET A 47 9.224 -5.913 7.138 1.00 0.00 C ATOM 796 C MET A 47 9.404 -4.420 7.282 1.00 0.00 C ATOM 797 O MET A 47 8.433 -3.683 7.362 1.00 0.00 O ATOM 798 CB MET A 47 7.987 -6.202 6.270 1.00 0.00 C ATOM 799 CG MET A 47 7.794 -7.639 5.840 1.00 0.00 C ATOM 800 SD MET A 47 9.065 -8.213 4.717 1.00 0.00 S ATOM 801 CE MET A 47 8.416 -9.835 4.347 1.00 0.00 C ATOM 0 H MET A 47 8.342 -6.113 9.017 1.00 0.00 H new ATOM 0 HA MET A 47 10.081 -6.365 6.638 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.101 -5.887 6.821 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.043 -5.581 5.376 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.782 -8.278 6.723 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.821 -7.741 5.360 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.232 -10.557 4.325 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.697 -10.123 5.114 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.922 -9.816 3.375 1.00 0.00 H new ATOM 811 N PRO A 48 10.646 -3.951 7.370 1.00 0.00 N ATOM 812 CA PRO A 48 10.929 -2.543 7.597 1.00 0.00 C ATOM 813 C PRO A 48 10.808 -1.697 6.326 1.00 0.00 C ATOM 814 O PRO A 48 10.809 -0.471 6.383 1.00 0.00 O ATOM 815 CB PRO A 48 12.365 -2.558 8.113 1.00 0.00 C ATOM 816 CG PRO A 48 12.991 -3.757 7.485 1.00 0.00 C ATOM 817 CD PRO A 48 11.888 -4.757 7.261 1.00 0.00 C ATOM 0 HA PRO A 48 10.218 -2.089 8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.893 -1.646 7.835 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.392 -2.623 9.201 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.471 -3.493 6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.764 -4.173 8.131 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.972 -5.231 6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.914 -5.553 8.005 1.00 0.00 H new ATOM 825 N ASP A 49 10.695 -2.354 5.198 1.00 0.00 N ATOM 826 CA ASP A 49 10.571 -1.686 3.904 1.00 0.00 C ATOM 827 C ASP A 49 9.114 -1.607 3.515 1.00 0.00 C ATOM 828 O ASP A 49 8.744 -0.932 2.547 1.00 0.00 O ATOM 829 CB ASP A 49 11.337 -2.459 2.824 1.00 0.00 C ATOM 830 CG ASP A 49 10.738 -3.822 2.520 1.00 0.00 C ATOM 831 OD1 ASP A 49 10.321 -4.542 3.468 1.00 0.00 O ATOM 832 OD2 ASP A 49 10.702 -4.211 1.344 1.00 0.00 O ATOM 0 H ASP A 49 10.685 -3.372 5.140 1.00 0.00 H new ATOM 0 HA ASP A 49 10.991 -0.684 3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.358 -1.867 1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.371 -2.588 3.144 1.00 0.00 H new ATOM 837 N CYS A 50 8.297 -2.291 4.273 1.00 0.00 N ATOM 838 CA CYS A 50 6.893 -2.346 4.027 1.00 0.00 C ATOM 839 C CYS A 50 6.175 -1.570 5.118 1.00 0.00 C ATOM 840 O CYS A 50 6.575 -1.603 6.280 1.00 0.00 O ATOM 841 CB CYS A 50 6.435 -3.798 3.994 1.00 0.00 C ATOM 842 SG CYS A 50 7.361 -4.840 2.830 1.00 0.00 S ATOM 0 H CYS A 50 8.598 -2.829 5.086 1.00 0.00 H new ATOM 0 HA CYS A 50 6.659 -1.897 3.062 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.527 -4.220 4.995 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.378 -3.829 3.731 1.00 0.00 H new ATOM 0 HG CYS A 50 8.617 -4.853 3.164 1.00 0.00 H new ATOM 848 N TYR A 51 5.160 -0.858 4.738 1.00 0.00 N ATOM 849 CA TYR A 51 4.426 -0.006 5.627 1.00 0.00 C ATOM 850 C TYR A 51 2.957 -0.303 5.493 1.00 0.00 C ATOM 851 O TYR A 51 2.538 -1.026 4.571 1.00 0.00 O ATOM 852 CB TYR A 51 4.670 1.471 5.292 1.00 0.00 C ATOM 853 CG TYR A 51 6.104 1.935 5.391 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.050 1.557 4.451 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.505 2.762 6.410 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.346 1.987 4.538 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.803 3.196 6.497 1.00 0.00 C ATOM 858 CZ TYR A 51 8.714 2.804 5.559 1.00 0.00 C ATOM 859 OH TYR A 51 10.009 3.238 5.646 1.00 0.00 O ATOM 0 H TYR A 51 4.809 -0.851 3.780 1.00 0.00 H new ATOM 0 HA TYR A 51 4.762 -0.194 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.316 1.658 4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.063 2.082 5.960 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.759 0.912 3.635 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.788 3.076 7.154 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.072 1.679 3.800 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.104 3.846 7.305 1.00 0.00 H new ATOM 0 HH TYR A 51 10.394 3.300 4.747 1.00 0.00 H new ATOM 869 N LYS A 52 2.185 0.276 6.362 1.00 0.00 N ATOM 870 CA LYS A 52 0.768 0.060 6.418 1.00 0.00 C ATOM 871 C LYS A 52 0.057 1.392 6.601 1.00 0.00 C ATOM 872 O LYS A 52 0.573 2.297 7.252 1.00 0.00 O ATOM 873 CB LYS A 52 0.455 -0.870 7.610 1.00 0.00 C ATOM 874 CG LYS A 52 0.950 -0.291 8.936 1.00 0.00 C ATOM 875 CD LYS A 52 0.765 -1.195 10.146 1.00 0.00 C ATOM 876 CE LYS A 52 -0.690 -1.487 10.444 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.852 -2.155 11.754 1.00 0.00 N ATOM 0 H LYS A 52 2.529 0.927 7.068 1.00 0.00 H new ATOM 0 HA LYS A 52 0.423 -0.400 5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.621 -1.037 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.920 -1.842 7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.009 -0.054 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.429 0.648 9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.292 -2.134 9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.222 -0.726 11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.258 -0.557 10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.104 -2.119 9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.602 -2.873 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.042 -2.612 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.111 -1.450 12.474 1.00 0.00 H new ATOM 891 N ILE A 53 -1.075 1.523 5.991 1.00 0.00 N ATOM 892 CA ILE A 53 -1.929 2.665 6.178 1.00 0.00 C ATOM 893 C ILE A 53 -3.298 2.120 6.451 1.00 0.00 C ATOM 894 O ILE A 53 -3.642 1.074 5.922 1.00 0.00 O ATOM 895 CB ILE A 53 -2.034 3.565 4.924 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.649 3.954 4.408 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.828 4.814 5.292 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.671 4.732 3.110 1.00 0.00 C ATOM 0 H ILE A 53 -1.444 0.833 5.337 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.518 3.276 6.982 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.539 3.017 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.144 4.550 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.058 3.049 4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.913 5.462 4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.824 4.526 5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.316 5.348 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.350 4.970 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.146 4.132 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.233 5.656 3.249 1.00 0.00 H new ATOM 910 N LYS A 54 -4.060 2.777 7.269 1.00 0.00 N ATOM 911 CA LYS A 54 -5.384 2.335 7.588 1.00 0.00 C ATOM 912 C LYS A 54 -6.331 3.499 7.499 1.00 0.00 C ATOM 913 O LYS A 54 -5.964 4.633 7.821 1.00 0.00 O ATOM 914 CB LYS A 54 -5.392 1.757 8.988 1.00 0.00 C ATOM 915 CG LYS A 54 -4.479 0.560 9.135 1.00 0.00 C ATOM 916 CD LYS A 54 -4.180 0.247 10.570 1.00 0.00 C ATOM 917 CE LYS A 54 -5.419 -0.178 11.347 1.00 0.00 C ATOM 918 NZ LYS A 54 -5.078 -0.744 12.669 1.00 0.00 N ATOM 0 H LYS A 54 -3.781 3.639 7.737 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.701 1.566 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.089 2.528 9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.409 1.466 9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.942 -0.308 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.546 0.750 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.436 -0.548 10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.741 1.124 11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.076 0.682 11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.974 -0.917 10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.844 -1.371 12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.194 -1.287 12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.956 0.027 13.356 1.00 0.00 H new ATOM 932 N LEU A 55 -7.508 3.235 7.043 1.00 0.00 N ATOM 933 CA LEU A 55 -8.531 4.230 6.927 1.00 0.00 C ATOM 934 C LEU A 55 -9.344 4.238 8.193 1.00 0.00 C ATOM 935 O LEU A 55 -10.073 3.267 8.490 1.00 0.00 O ATOM 936 CB LEU A 55 -9.403 3.950 5.713 1.00 0.00 C ATOM 937 CG LEU A 55 -8.688 3.987 4.361 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.649 3.650 3.241 1.00 0.00 C ATOM 939 CD2 LEU A 55 -8.048 5.350 4.127 1.00 0.00 C ATOM 0 H LEU A 55 -7.796 2.307 6.734 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.082 5.213 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.860 2.968 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.214 4.678 5.695 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.898 3.237 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.122 3.682 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.055 2.651 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.463 4.375 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.545 5.355 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.819 6.121 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.322 5.551 4.915 1.00 0.00 H new ATOM 951 N ARG A 56 -9.222 5.326 8.914 1.00 0.00 N ATOM 952 CA ARG A 56 -9.766 5.511 10.249 1.00 0.00 C ATOM 953 C ARG A 56 -11.257 5.232 10.316 1.00 0.00 C ATOM 954 O ARG A 56 -11.736 4.648 11.278 1.00 0.00 O ATOM 955 CB ARG A 56 -9.480 6.946 10.720 1.00 0.00 C ATOM 956 CG ARG A 56 -9.685 7.194 12.203 1.00 0.00 C ATOM 957 CD ARG A 56 -8.773 6.307 13.018 1.00 0.00 C ATOM 958 NE ARG A 56 -8.765 6.657 14.434 1.00 0.00 N ATOM 959 CZ ARG A 56 -9.050 5.825 15.429 1.00 0.00 C ATOM 960 NH1 ARG A 56 -9.699 4.685 15.182 1.00 0.00 N ATOM 961 NH2 ARG A 56 -8.752 6.169 16.680 1.00 0.00 N ATOM 0 H ARG A 56 -8.719 6.147 8.576 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.278 4.791 10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.450 7.196 10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.121 7.629 10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.486 8.241 12.434 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.724 7.001 12.470 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.087 5.269 12.906 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.759 6.377 12.625 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.521 7.617 14.679 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.976 4.452 14.228 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.917 4.047 15.947 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.307 7.067 16.870 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.968 5.534 17.449 1.00 0.00 H new ATOM 975 N SER A 57 -11.972 5.614 9.299 1.00 0.00 N ATOM 976 CA SER A 57 -13.392 5.462 9.306 1.00 0.00 C ATOM 977 C SER A 57 -13.825 4.463 8.211 1.00 0.00 C ATOM 978 O SER A 57 -14.931 4.530 7.692 1.00 0.00 O ATOM 979 CB SER A 57 -14.025 6.854 9.102 1.00 0.00 C ATOM 980 OG SER A 57 -15.404 6.882 9.452 1.00 0.00 O ATOM 0 H SER A 57 -11.590 6.035 8.452 1.00 0.00 H new ATOM 0 HA SER A 57 -13.733 5.055 10.258 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.486 7.586 9.703 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.912 7.152 8.060 1.00 0.00 H new ATOM 0 HG SER A 57 -15.864 6.126 9.031 1.00 0.00 H new ATOM 986 N SER A 58 -12.961 3.525 7.859 1.00 0.00 N ATOM 987 CA SER A 58 -13.337 2.537 6.856 1.00 0.00 C ATOM 988 C SER A 58 -12.886 1.102 7.223 1.00 0.00 C ATOM 989 O SER A 58 -13.497 0.127 6.789 1.00 0.00 O ATOM 990 CB SER A 58 -12.841 2.957 5.467 1.00 0.00 C ATOM 991 OG SER A 58 -13.306 4.270 5.139 1.00 0.00 O ATOM 0 H SER A 58 -12.020 3.425 8.239 1.00 0.00 H new ATOM 0 HA SER A 58 -14.426 2.506 6.832 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.751 2.935 5.443 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.191 2.245 4.720 1.00 0.00 H new ATOM 0 HG SER A 58 -12.670 4.936 5.475 1.00 0.00 H new ATOM 997 N GLY A 59 -11.813 0.970 8.001 1.00 0.00 N ATOM 998 CA GLY A 59 -11.363 -0.363 8.422 1.00 0.00 C ATOM 999 C GLY A 59 -10.501 -1.045 7.377 1.00 0.00 C ATOM 1000 O GLY A 59 -10.035 -2.173 7.559 1.00 0.00 O ATOM 0 H GLY A 59 -11.249 1.746 8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.800 -0.276 9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.232 -0.986 8.633 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.322 -0.373 6.275 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.480 -0.845 5.215 1.00 0.00 C ATOM 1006 C TYR A 60 -8.046 -0.460 5.486 1.00 0.00 C ATOM 1007 O TYR A 60 -7.772 0.375 6.343 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.930 -0.294 3.858 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.167 -0.950 3.276 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.450 -0.572 3.659 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.039 -1.945 2.322 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.565 -1.178 3.099 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.141 -2.554 1.763 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.400 -2.169 2.150 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.499 -2.780 1.592 1.00 0.00 O ATOM 0 H TYR A 60 -10.762 0.528 6.086 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.560 -1.931 5.177 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.119 0.774 3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.110 -0.405 3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.579 0.202 4.401 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.052 -2.251 2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.557 -0.877 3.403 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.015 -3.331 1.024 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.205 -3.452 0.943 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.161 -1.055 4.766 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.765 -0.825 4.886 1.00 0.00 C ATOM 1027 C ARG A 61 -5.099 -0.988 3.535 1.00 0.00 C ATOM 1028 O ARG A 61 -5.651 -1.625 2.624 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.120 -1.754 5.978 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.389 -3.279 5.888 1.00 0.00 C ATOM 1031 CD ARG A 61 -4.751 -3.957 4.676 1.00 0.00 C ATOM 1032 NE ARG A 61 -4.964 -5.414 4.682 1.00 0.00 N ATOM 1033 CZ ARG A 61 -4.908 -6.222 3.614 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -4.746 -5.719 2.381 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -5.016 -7.523 3.792 1.00 0.00 N ATOM 0 H ARG A 61 -7.399 -1.741 4.050 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.606 0.200 5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.041 -1.603 5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.464 -1.411 6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.017 -3.756 6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.466 -3.446 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.168 -3.534 3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.681 -3.747 4.665 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.173 -5.848 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.664 -4.711 2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.705 -6.345 1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.140 -7.901 4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.976 -8.153 2.990 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.957 -0.426 3.407 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.164 -0.532 2.231 1.00 0.00 C ATOM 1051 C LEU A 62 -1.757 -0.810 2.690 1.00 0.00 C ATOM 1052 O LEU A 62 -1.249 -0.140 3.575 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.286 0.769 1.383 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.480 0.866 0.063 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.079 1.930 -0.834 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.022 1.229 0.328 1.00 0.00 C ATOM 0 H LEU A 62 -3.529 0.141 4.139 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.496 -1.339 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.339 0.909 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.990 1.606 2.015 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.525 -0.110 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.506 1.991 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.113 1.672 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.050 2.893 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.484 1.289 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.973 2.193 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.565 0.465 0.957 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.171 -1.821 2.147 1.00 0.00 N ATOM 1069 CA VAL A 63 0.163 -2.212 2.509 1.00 0.00 C ATOM 1070 C VAL A 63 1.031 -1.859 1.347 1.00 0.00 C ATOM 1071 O VAL A 63 0.648 -2.131 0.215 1.00 0.00 O ATOM 1072 CB VAL A 63 0.254 -3.741 2.730 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.560 -4.129 3.401 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.936 -4.258 3.510 1.00 0.00 C ATOM 0 H VAL A 63 -1.601 -2.409 1.433 1.00 0.00 H new ATOM 0 HA VAL A 63 0.463 -1.714 3.431 1.00 0.00 H new ATOM 0 HB VAL A 63 0.236 -4.213 1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.590 -5.210 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.397 -3.821 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.632 -3.636 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.841 -5.335 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.973 -3.770 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.853 -4.042 2.961 1.00 0.00 H new ATOM 1084 N TYR A 64 2.151 -1.257 1.582 1.00 0.00 N ATOM 1085 CA TYR A 64 3.013 -0.887 0.491 1.00 0.00 C ATOM 1086 C TYR A 64 4.453 -1.146 0.835 1.00 0.00 C ATOM 1087 O TYR A 64 4.758 -1.551 1.930 1.00 0.00 O ATOM 1088 CB TYR A 64 2.790 0.576 0.041 1.00 0.00 C ATOM 1089 CG TYR A 64 3.119 1.657 1.065 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.192 2.050 2.018 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.348 2.303 1.049 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.486 3.050 2.923 1.00 0.00 C ATOM 1093 CE2 TYR A 64 4.641 3.304 1.949 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.707 3.673 2.884 1.00 0.00 C ATOM 1095 OH TYR A 64 3.994 4.670 3.789 1.00 0.00 O ATOM 0 H TYR A 64 2.495 -1.009 2.510 1.00 0.00 H new ATOM 0 HA TYR A 64 2.751 -1.517 -0.359 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.392 0.755 -0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.746 0.688 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.227 1.567 2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.088 2.015 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.754 3.342 3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.602 3.796 1.919 1.00 0.00 H new ATOM 0 HH TYR A 64 4.900 5.007 3.628 1.00 0.00 H new ATOM 1105 N GLN A 65 5.299 -0.944 -0.107 1.00 0.00 N ATOM 1106 CA GLN A 65 6.703 -1.127 0.030 1.00 0.00 C ATOM 1107 C GLN A 65 7.392 0.073 -0.544 1.00 0.00 C ATOM 1108 O GLN A 65 6.985 0.588 -1.582 1.00 0.00 O ATOM 1109 CB GLN A 65 7.108 -2.402 -0.700 1.00 0.00 C ATOM 1110 CG GLN A 65 8.608 -2.631 -0.856 1.00 0.00 C ATOM 1111 CD GLN A 65 8.905 -3.976 -1.479 1.00 0.00 C ATOM 1112 OE1 GLN A 65 9.879 -4.148 -2.218 1.00 0.00 O ATOM 1113 NE2 GLN A 65 8.111 -4.945 -1.140 1.00 0.00 N ATOM 0 H GLN A 65 5.023 -0.632 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 65 6.988 -1.229 1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.683 -3.253 -0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.657 -2.389 -1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.035 -1.841 -1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.090 -2.567 0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.316 -4.763 -0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.282 -5.889 -1.486 1.00 0.00 H new ATOM 1122 N VAL A 66 8.395 0.531 0.120 1.00 0.00 N ATOM 1123 CA VAL A 66 9.105 1.698 -0.333 1.00 0.00 C ATOM 1124 C VAL A 66 10.406 1.281 -0.963 1.00 0.00 C ATOM 1125 O VAL A 66 11.394 0.994 -0.270 1.00 0.00 O ATOM 1126 CB VAL A 66 9.360 2.732 0.797 1.00 0.00 C ATOM 1127 CG1 VAL A 66 10.109 3.950 0.269 1.00 0.00 C ATOM 1128 CG2 VAL A 66 8.051 3.173 1.392 1.00 0.00 C ATOM 0 H VAL A 66 8.751 0.121 0.983 1.00 0.00 H new ATOM 0 HA VAL A 66 8.473 2.196 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 66 9.972 2.252 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.273 4.657 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.070 3.637 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.520 4.428 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.237 3.898 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.435 3.631 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.530 2.310 1.806 1.00 0.00 H new ATOM 1138 N ILE A 67 10.393 1.198 -2.263 1.00 0.00 N ATOM 1139 CA ILE A 67 11.556 0.815 -3.001 1.00 0.00 C ATOM 1140 C ILE A 67 12.300 2.075 -3.366 1.00 0.00 C ATOM 1141 O ILE A 67 11.778 2.898 -4.111 1.00 0.00 O ATOM 1142 CB ILE A 67 11.185 0.063 -4.302 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.218 -1.095 -4.004 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.453 -0.469 -4.961 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.770 -1.871 -5.230 1.00 0.00 C ATOM 0 H ILE A 67 9.574 1.395 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 67 12.162 0.147 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 67 10.687 0.756 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.699 -1.784 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.338 -0.696 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.192 -0.999 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.116 0.363 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.959 -1.152 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.091 -2.668 -4.928 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.258 -1.199 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.640 -2.303 -5.725 1.00 0.00 H new ATOM 1157 N ASP A 68 13.491 2.229 -2.859 1.00 0.00 N ATOM 1158 CA ASP A 68 14.262 3.441 -3.101 1.00 0.00 C ATOM 1159 C ASP A 68 14.964 3.458 -4.430 1.00 0.00 C ATOM 1160 O ASP A 68 15.178 4.524 -4.994 1.00 0.00 O ATOM 1161 CB ASP A 68 15.250 3.746 -1.982 1.00 0.00 C ATOM 1162 CG ASP A 68 14.674 4.659 -0.939 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.513 5.870 -1.232 1.00 0.00 O ATOM 1164 OD2 ASP A 68 14.421 4.222 0.213 1.00 0.00 O ATOM 0 H ASP A 68 13.959 1.537 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 68 13.514 4.233 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.561 2.813 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.144 4.203 -2.406 1.00 0.00 H new ATOM 1169 N GLU A 69 15.325 2.298 -4.939 1.00 0.00 N ATOM 1170 CA GLU A 69 16.031 2.245 -6.214 1.00 0.00 C ATOM 1171 C GLU A 69 15.091 2.478 -7.403 1.00 0.00 C ATOM 1172 O GLU A 69 15.464 3.115 -8.387 1.00 0.00 O ATOM 1173 CB GLU A 69 16.822 0.948 -6.376 1.00 0.00 C ATOM 1174 CG GLU A 69 16.005 -0.316 -6.342 1.00 0.00 C ATOM 1175 CD GLU A 69 16.835 -1.509 -6.679 1.00 0.00 C ATOM 1176 OE1 GLU A 69 17.510 -2.056 -5.795 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.835 -1.917 -7.848 1.00 0.00 O ATOM 0 H GLU A 69 15.148 1.393 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 69 16.750 3.065 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.361 0.987 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.571 0.898 -5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.569 -0.443 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.178 -0.235 -7.047 1.00 0.00 H new ATOM 1184 N LYS A 70 13.884 1.957 -7.309 1.00 0.00 N ATOM 1185 CA LYS A 70 12.858 2.149 -8.343 1.00 0.00 C ATOM 1186 C LYS A 70 12.153 3.468 -8.079 1.00 0.00 C ATOM 1187 O LYS A 70 11.547 4.055 -8.964 1.00 0.00 O ATOM 1188 CB LYS A 70 11.850 0.994 -8.293 1.00 0.00 C ATOM 1189 CG LYS A 70 12.451 -0.393 -8.536 1.00 0.00 C ATOM 1190 CD LYS A 70 12.741 -0.686 -10.007 1.00 0.00 C ATOM 1191 CE LYS A 70 11.449 -0.871 -10.800 1.00 0.00 C ATOM 1192 NZ LYS A 70 11.699 -1.350 -12.173 1.00 0.00 N ATOM 0 H LYS A 70 13.576 1.388 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 70 13.317 2.166 -9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.362 0.998 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.075 1.174 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.376 -0.483 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.766 -1.149 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.320 0.132 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.352 -1.585 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.805 -1.581 -10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.911 0.076 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.793 -1.461 -12.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.291 -0.661 -12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.189 -2.267 -12.137 1.00 0.00 H new ATOM 1206 N VAL A 71 12.275 3.901 -6.821 1.00 0.00 N ATOM 1207 CA VAL A 71 11.726 5.144 -6.275 1.00 0.00 C ATOM 1208 C VAL A 71 10.225 5.093 -6.385 1.00 0.00 C ATOM 1209 O VAL A 71 9.610 5.939 -6.999 1.00 0.00 O ATOM 1210 CB VAL A 71 12.261 6.437 -6.972 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.001 7.658 -6.108 1.00 0.00 C ATOM 1212 CG2 VAL A 71 13.729 6.332 -7.293 1.00 0.00 C ATOM 0 H VAL A 71 12.786 3.365 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 71 12.052 5.209 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 71 11.720 6.546 -7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.381 8.547 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.929 7.765 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.506 7.540 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.062 7.250 -7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.293 6.181 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.896 5.488 -7.963 1.00 0.00 H new ATOM 1222 N VAL A 72 9.637 4.069 -5.817 1.00 0.00 N ATOM 1223 CA VAL A 72 8.214 3.865 -5.964 1.00 0.00 C ATOM 1224 C VAL A 72 7.570 3.349 -4.711 1.00 0.00 C ATOM 1225 O VAL A 72 8.225 2.719 -3.850 1.00 0.00 O ATOM 1226 CB VAL A 72 7.858 2.874 -7.117 1.00 0.00 C ATOM 1227 CG1 VAL A 72 8.271 3.406 -8.462 1.00 0.00 C ATOM 1228 CG2 VAL A 72 8.466 1.500 -6.882 1.00 0.00 C ATOM 0 H VAL A 72 10.116 3.368 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 72 7.826 4.856 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 72 6.773 2.772 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.005 2.686 -9.236 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.759 4.349 -8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.349 3.569 -8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.197 0.837 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.551 1.587 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.086 1.089 -5.946 1.00 0.00 H new ATOM 1238 N VAL A 73 6.308 3.629 -4.609 1.00 0.00 N ATOM 1239 CA VAL A 73 5.463 3.100 -3.602 1.00 0.00 C ATOM 1240 C VAL A 73 4.751 1.914 -4.221 1.00 0.00 C ATOM 1241 O VAL A 73 3.781 2.067 -4.953 1.00 0.00 O ATOM 1242 CB VAL A 73 4.444 4.159 -3.099 1.00 0.00 C ATOM 1243 CG1 VAL A 73 3.467 3.569 -2.097 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.182 5.329 -2.480 1.00 0.00 C ATOM 0 H VAL A 73 5.827 4.257 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 73 6.044 2.801 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 73 3.868 4.503 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.771 4.341 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.912 2.756 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.015 3.186 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.462 6.069 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.781 4.978 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.835 5.783 -3.226 1.00 0.00 H new ATOM 1254 N PHE A 74 5.302 0.766 -3.991 1.00 0.00 N ATOM 1255 CA PHE A 74 4.816 -0.469 -4.548 1.00 0.00 C ATOM 1256 C PHE A 74 3.792 -1.084 -3.621 1.00 0.00 C ATOM 1257 O PHE A 74 4.129 -1.687 -2.619 1.00 0.00 O ATOM 1258 CB PHE A 74 6.010 -1.416 -4.816 1.00 0.00 C ATOM 1259 CG PHE A 74 5.670 -2.835 -5.215 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.703 -3.107 -6.171 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.345 -3.901 -4.629 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.413 -4.407 -6.529 1.00 0.00 C ATOM 1263 CE2 PHE A 74 6.060 -5.204 -4.985 1.00 0.00 C ATOM 1264 CZ PHE A 74 5.090 -5.457 -5.935 1.00 0.00 C ATOM 0 H PHE A 74 6.123 0.651 -3.397 1.00 0.00 H new ATOM 0 HA PHE A 74 4.319 -0.284 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.623 -0.978 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.625 -1.453 -3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.171 -2.292 -6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.103 -3.706 -3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.657 -4.605 -7.274 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.593 -6.022 -4.523 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.860 -6.475 -6.214 1.00 0.00 H new ATOM 1274 N VAL A 75 2.553 -0.864 -3.933 1.00 0.00 N ATOM 1275 CA VAL A 75 1.459 -1.357 -3.150 1.00 0.00 C ATOM 1276 C VAL A 75 1.312 -2.856 -3.340 1.00 0.00 C ATOM 1277 O VAL A 75 1.203 -3.350 -4.464 1.00 0.00 O ATOM 1278 CB VAL A 75 0.142 -0.644 -3.497 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.993 -1.128 -2.604 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.309 0.870 -3.388 1.00 0.00 C ATOM 0 H VAL A 75 2.267 -0.328 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 75 1.681 -1.148 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.116 -0.889 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.913 -0.608 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.131 -2.201 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.749 -0.922 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.633 1.359 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.596 1.132 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.084 1.201 -4.080 1.00 0.00 H new ATOM 1290 N ILE A 76 1.334 -3.545 -2.239 1.00 0.00 N ATOM 1291 CA ILE A 76 1.259 -4.978 -2.189 1.00 0.00 C ATOM 1292 C ILE A 76 -0.192 -5.440 -2.167 1.00 0.00 C ATOM 1293 O ILE A 76 -0.568 -6.336 -2.898 1.00 0.00 O ATOM 1294 CB ILE A 76 1.964 -5.502 -0.911 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.428 -5.018 -0.843 1.00 0.00 C ATOM 1296 CG2 ILE A 76 1.887 -7.020 -0.820 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.299 -5.480 -1.997 1.00 0.00 C ATOM 0 H ILE A 76 1.407 -3.112 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 76 1.752 -5.372 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 76 1.435 -5.090 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.436 -3.928 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.869 -5.366 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.390 -7.356 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.842 -7.330 -0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.373 -7.462 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.310 -5.094 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.327 -6.569 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.887 -5.109 -2.935 1.00 0.00 H new ATOM 1309 N SER A 77 -0.999 -4.826 -1.318 1.00 0.00 N ATOM 1310 CA SER A 77 -2.371 -5.246 -1.166 1.00 0.00 C ATOM 1311 C SER A 77 -3.246 -4.091 -0.711 1.00 0.00 C ATOM 1312 O SER A 77 -2.803 -3.216 0.051 1.00 0.00 O ATOM 1313 CB SER A 77 -2.472 -6.423 -0.168 1.00 0.00 C ATOM 1314 OG SER A 77 -3.821 -6.879 -0.014 1.00 0.00 O ATOM 0 H SER A 77 -0.725 -4.040 -0.729 1.00 0.00 H new ATOM 0 HA SER A 77 -2.730 -5.583 -2.139 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.848 -7.247 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.081 -6.112 0.801 1.00 0.00 H new ATOM 0 HG SER A 77 -4.307 -6.754 -0.856 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.471 -4.112 -1.164 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.479 -3.124 -0.846 1.00 0.00 C ATOM 1322 C VAL A 78 -6.715 -3.873 -0.344 1.00 0.00 C ATOM 1323 O VAL A 78 -7.228 -4.736 -1.034 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.887 -2.306 -2.112 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.915 -1.252 -1.766 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.682 -1.665 -2.776 1.00 0.00 C ATOM 0 H VAL A 78 -4.812 -4.843 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.083 -2.435 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.329 -3.007 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.183 -0.696 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.805 -1.732 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.500 -0.568 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.005 -1.104 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.195 -0.989 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.979 -2.440 -3.080 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.163 -3.586 0.845 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.338 -4.270 1.352 1.00 0.00 C ATOM 1338 C GLY A 79 -8.366 -4.252 2.846 1.00 0.00 C ATOM 1339 O GLY A 79 -7.562 -3.590 3.442 1.00 0.00 O ATOM 0 H GLY A 79 -6.750 -2.900 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.237 -3.793 0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.345 -5.301 0.997 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.263 -4.972 3.450 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.375 -4.968 4.898 1.00 0.00 C ATOM 1345 C LYS A 80 -8.448 -5.973 5.530 1.00 0.00 C ATOM 1346 O LYS A 80 -8.061 -6.951 4.901 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.810 -5.251 5.353 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.800 -4.146 5.037 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.216 -4.482 5.497 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.285 -4.756 6.999 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.668 -5.005 7.455 1.00 0.00 N ATOM 0 H LYS A 80 -9.934 -5.574 2.972 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.089 -3.968 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.152 -6.173 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.809 -5.424 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.475 -3.223 5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.804 -3.962 3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.882 -3.656 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.575 -5.356 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.664 -5.619 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.872 -3.906 7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.669 -5.186 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.256 -4.172 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.054 -5.832 6.957 1.00 0.00 H new ATOM 1715 N GLU B 54 -3.161 -7.943 12.478 1.00 0.00 N ATOM 1716 CA GLU B 54 -3.229 -7.376 11.143 1.00 0.00 C ATOM 1717 C GLU B 54 -1.834 -7.202 10.542 1.00 0.00 C ATOM 1718 O GLU B 54 -1.631 -7.457 9.380 1.00 0.00 O ATOM 1719 CB GLU B 54 -3.974 -6.040 11.163 1.00 0.00 C ATOM 1720 CG GLU B 54 -3.443 -5.045 12.179 1.00 0.00 C ATOM 1721 CD GLU B 54 -4.108 -3.709 12.078 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -5.315 -3.610 12.333 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -3.427 -2.719 11.779 1.00 0.00 O ATOM 0 HA GLU B 54 -3.781 -8.073 10.513 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -3.920 -5.592 10.171 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -5.027 -6.228 11.371 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -3.588 -5.444 13.183 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -2.369 -4.924 12.036 1.00 0.00 H new ATOM 1730 N ASP B 55 -0.875 -6.816 11.363 1.00 0.00 N ATOM 1731 CA ASP B 55 0.501 -6.594 10.915 1.00 0.00 C ATOM 1732 C ASP B 55 1.100 -7.891 10.444 1.00 0.00 C ATOM 1733 O ASP B 55 1.799 -7.943 9.431 1.00 0.00 O ATOM 1734 CB ASP B 55 1.348 -6.013 12.043 1.00 0.00 C ATOM 1735 CG ASP B 55 0.863 -4.664 12.493 1.00 0.00 C ATOM 1736 OD1 ASP B 55 -0.149 -4.588 13.222 1.00 0.00 O ATOM 1737 OD2 ASP B 55 1.455 -3.649 12.104 1.00 0.00 O ATOM 0 H ASP B 55 -1.020 -6.646 12.358 1.00 0.00 H new ATOM 0 HA ASP B 55 0.486 -5.881 10.090 1.00 0.00 H new ATOM 0 HB2 ASP B 55 1.339 -6.699 12.890 1.00 0.00 H new ATOM 0 HB3 ASP B 55 2.383 -5.931 11.710 1.00 0.00 H new ATOM 1742 N ALA B 56 0.769 -8.945 11.155 1.00 0.00 N ATOM 1743 CA ALA B 56 1.234 -10.267 10.836 1.00 0.00 C ATOM 1744 C ALA B 56 0.533 -10.796 9.575 1.00 0.00 C ATOM 1745 O ALA B 56 1.092 -11.617 8.843 1.00 0.00 O ATOM 1746 CB ALA B 56 1.033 -11.190 12.021 1.00 0.00 C ATOM 0 H ALA B 56 0.165 -8.904 11.976 1.00 0.00 H new ATOM 0 HA ALA B 56 2.302 -10.228 10.621 1.00 0.00 H new ATOM 0 HB1 ALA B 56 1.389 -12.189 11.769 1.00 0.00 H new ATOM 0 HB2 ALA B 56 1.592 -10.811 12.876 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -0.027 -11.235 12.272 1.00 0.00 H new ATOM 1752 N GLU B 57 -0.686 -10.312 9.331 1.00 0.00 N ATOM 1753 CA GLU B 57 -1.423 -10.631 8.111 1.00 0.00 C ATOM 1754 C GLU B 57 -0.693 -9.989 6.931 1.00 0.00 C ATOM 1755 O GLU B 57 -0.405 -10.632 5.927 1.00 0.00 O ATOM 1756 CB GLU B 57 -2.863 -10.058 8.173 1.00 0.00 C ATOM 1757 CG GLU B 57 -3.693 -10.314 6.915 1.00 0.00 C ATOM 1758 CD GLU B 57 -4.963 -9.473 6.832 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -4.909 -8.348 6.285 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -6.040 -9.935 7.269 1.00 0.00 O ATOM 0 H GLU B 57 -1.186 -9.693 9.969 1.00 0.00 H new ATOM 0 HA GLU B 57 -1.481 -11.714 8.000 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -3.378 -10.492 9.030 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -2.807 -8.983 8.346 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -3.078 -10.113 6.038 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -3.964 -11.369 6.879 1.00 0.00 H new ATOM 1767 N LEU B 58 -0.358 -8.729 7.097 1.00 0.00 N ATOM 1768 CA LEU B 58 0.262 -7.946 6.048 1.00 0.00 C ATOM 1769 C LEU B 58 1.638 -8.501 5.665 1.00 0.00 C ATOM 1770 O LEU B 58 1.981 -8.542 4.484 1.00 0.00 O ATOM 1771 CB LEU B 58 0.372 -6.465 6.457 1.00 0.00 C ATOM 1772 CG LEU B 58 -0.900 -5.819 7.041 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -0.734 -4.340 7.309 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -2.152 -6.119 6.233 1.00 0.00 C ATOM 0 H LEU B 58 -0.508 -8.216 7.966 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.380 -8.016 5.170 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.171 -6.372 7.193 1.00 0.00 H new ATOM 0 HB3 LEU B 58 0.676 -5.891 5.582 1.00 0.00 H new ATOM 0 HG LEU B 58 -1.047 -6.297 8.010 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -1.661 -3.938 7.719 1.00 0.00 H new ATOM 0 HD12 LEU B 58 0.075 -4.188 8.024 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -0.497 -3.826 6.378 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -3.010 -5.635 6.699 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -2.029 -5.742 5.218 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -2.316 -7.196 6.202 1.00 0.00 H new ATOM 1786 N VAL B 59 2.413 -8.957 6.657 1.00 0.00 N ATOM 1787 CA VAL B 59 3.750 -9.494 6.374 1.00 0.00 C ATOM 1788 C VAL B 59 3.695 -10.814 5.613 1.00 0.00 C ATOM 1789 O VAL B 59 4.585 -11.101 4.802 1.00 0.00 O ATOM 1790 CB VAL B 59 4.659 -9.633 7.627 1.00 0.00 C ATOM 1791 CG1 VAL B 59 4.838 -8.301 8.322 1.00 0.00 C ATOM 1792 CG2 VAL B 59 4.146 -10.684 8.585 1.00 0.00 C ATOM 0 H VAL B 59 2.146 -8.966 7.641 1.00 0.00 H new ATOM 0 HA VAL B 59 4.212 -8.741 5.736 1.00 0.00 H new ATOM 0 HB VAL B 59 5.637 -9.966 7.279 1.00 0.00 H new ATOM 0 HG11 VAL B 59 5.478 -8.429 9.195 1.00 0.00 H new ATOM 0 HG12 VAL B 59 5.299 -7.591 7.635 1.00 0.00 H new ATOM 0 HG13 VAL B 59 3.866 -7.922 8.638 1.00 0.00 H new ATOM 0 HG21 VAL B 59 4.812 -10.747 9.446 1.00 0.00 H new ATOM 0 HG22 VAL B 59 3.145 -10.413 8.920 1.00 0.00 H new ATOM 0 HG23 VAL B 59 4.112 -11.650 8.081 1.00 0.00 H new ATOM 1802 N GLU B 60 2.652 -11.608 5.832 1.00 0.00 N ATOM 1803 CA GLU B 60 2.554 -12.843 5.111 1.00 0.00 C ATOM 1804 C GLU B 60 2.014 -12.603 3.709 1.00 0.00 C ATOM 1805 O GLU B 60 2.434 -13.251 2.765 1.00 0.00 O ATOM 1806 CB GLU B 60 1.773 -13.931 5.853 1.00 0.00 C ATOM 1807 CG GLU B 60 0.340 -13.596 6.168 1.00 0.00 C ATOM 1808 CD GLU B 60 -0.389 -14.773 6.707 1.00 0.00 C ATOM 1809 OE1 GLU B 60 -0.842 -15.616 5.899 1.00 0.00 O ATOM 1810 OE2 GLU B 60 -0.514 -14.904 7.944 1.00 0.00 O ATOM 0 H GLU B 60 1.892 -11.416 6.484 1.00 0.00 H new ATOM 0 HA GLU B 60 3.567 -13.236 5.027 1.00 0.00 H new ATOM 0 HB2 GLU B 60 1.792 -14.841 5.254 1.00 0.00 H new ATOM 0 HB3 GLU B 60 2.290 -14.153 6.786 1.00 0.00 H new ATOM 0 HG2 GLU B 60 0.306 -12.783 6.893 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -0.158 -13.240 5.266 1.00 0.00 H new ATOM 1817 N ILE B 61 1.124 -11.629 3.567 1.00 0.00 N ATOM 1818 CA ILE B 61 0.585 -11.284 2.263 1.00 0.00 C ATOM 1819 C ILE B 61 1.683 -10.707 1.360 1.00 0.00 C ATOM 1820 O ILE B 61 1.726 -10.990 0.159 1.00 0.00 O ATOM 1821 CB ILE B 61 -0.636 -10.313 2.361 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -1.786 -11.004 3.109 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -1.100 -9.853 0.973 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -3.023 -10.150 3.278 1.00 0.00 C ATOM 0 H ILE B 61 0.763 -11.067 4.338 1.00 0.00 H new ATOM 0 HA ILE B 61 0.215 -12.205 1.812 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.326 -9.426 2.914 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.057 -11.913 2.573 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -1.432 -11.308 4.094 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -1.950 -9.179 1.078 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -0.285 -9.332 0.471 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.395 -10.720 0.382 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.784 -10.715 3.816 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.771 -9.252 3.842 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -3.406 -9.867 2.298 1.00 0.00 H new ATOM 1836 N VAL B 62 2.594 -9.930 1.937 1.00 0.00 N ATOM 1837 CA VAL B 62 3.679 -9.375 1.147 1.00 0.00 C ATOM 1838 C VAL B 62 4.675 -10.446 0.720 1.00 0.00 C ATOM 1839 O VAL B 62 4.989 -10.526 -0.450 1.00 0.00 O ATOM 1840 CB VAL B 62 4.387 -8.117 1.783 1.00 0.00 C ATOM 1841 CG1 VAL B 62 4.946 -8.409 3.146 1.00 0.00 C ATOM 1842 CG2 VAL B 62 5.492 -7.584 0.874 1.00 0.00 C ATOM 0 H VAL B 62 2.602 -9.677 2.925 1.00 0.00 H new ATOM 0 HA VAL B 62 3.200 -8.987 0.248 1.00 0.00 H new ATOM 0 HB VAL B 62 3.618 -7.353 1.891 1.00 0.00 H new ATOM 0 HG11 VAL B 62 5.423 -7.513 3.543 1.00 0.00 H new ATOM 0 HG12 VAL B 62 4.139 -8.716 3.812 1.00 0.00 H new ATOM 0 HG13 VAL B 62 5.681 -9.210 3.074 1.00 0.00 H new ATOM 0 HG21 VAL B 62 5.960 -6.717 1.340 1.00 0.00 H new ATOM 0 HG22 VAL B 62 6.241 -8.361 0.717 1.00 0.00 H new ATOM 0 HG23 VAL B 62 5.065 -7.293 -0.086 1.00 0.00 H new ATOM 1852 N LYS B 63 5.097 -11.319 1.649 1.00 0.00 N ATOM 1853 CA LYS B 63 6.080 -12.376 1.331 1.00 0.00 C ATOM 1854 C LYS B 63 5.494 -13.349 0.292 1.00 0.00 C ATOM 1855 O LYS B 63 6.220 -13.955 -0.507 1.00 0.00 O ATOM 1856 CB LYS B 63 6.506 -13.128 2.609 1.00 0.00 C ATOM 1857 CG LYS B 63 5.406 -13.975 3.222 1.00 0.00 C ATOM 1858 CD LYS B 63 5.765 -14.535 4.596 1.00 0.00 C ATOM 1859 CE LYS B 63 7.052 -15.343 4.579 1.00 0.00 C ATOM 1860 NZ LYS B 63 7.275 -16.030 5.872 1.00 0.00 N ATOM 0 H LYS B 63 4.779 -11.317 2.618 1.00 0.00 H new ATOM 0 HA LYS B 63 6.968 -11.909 0.906 1.00 0.00 H new ATOM 0 HB2 LYS B 63 7.356 -13.769 2.375 1.00 0.00 H new ATOM 0 HB3 LYS B 63 6.847 -12.403 3.348 1.00 0.00 H new ATOM 0 HG2 LYS B 63 4.501 -13.374 3.308 1.00 0.00 H new ATOM 0 HG3 LYS B 63 5.177 -14.802 2.550 1.00 0.00 H new ATOM 0 HD2 LYS B 63 5.866 -13.713 5.304 1.00 0.00 H new ATOM 0 HD3 LYS B 63 4.950 -15.165 4.952 1.00 0.00 H new ATOM 0 HE2 LYS B 63 7.011 -16.079 3.776 1.00 0.00 H new ATOM 0 HE3 LYS B 63 7.894 -14.685 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 8.161 -16.573 5.828 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 7.338 -15.325 6.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 6.483 -16.676 6.063 1.00 0.00 H new ATOM 1874 N GLU B 64 4.181 -13.470 0.319 1.00 0.00 N ATOM 1875 CA GLU B 64 3.436 -14.281 -0.607 1.00 0.00 C ATOM 1876 C GLU B 64 3.485 -13.676 -2.011 1.00 0.00 C ATOM 1877 O GLU B 64 4.016 -14.277 -2.945 1.00 0.00 O ATOM 1878 CB GLU B 64 1.989 -14.366 -0.129 1.00 0.00 C ATOM 1879 CG GLU B 64 1.042 -15.024 -1.095 1.00 0.00 C ATOM 1880 CD GLU B 64 1.281 -16.490 -1.243 1.00 0.00 C ATOM 1881 OE1 GLU B 64 2.191 -16.870 -1.991 1.00 0.00 O ATOM 1882 OE2 GLU B 64 0.542 -17.295 -0.633 1.00 0.00 O ATOM 0 H GLU B 64 3.595 -12.993 1.004 1.00 0.00 H new ATOM 0 HA GLU B 64 3.875 -15.278 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU B 64 1.964 -14.914 0.813 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.630 -13.358 0.080 1.00 0.00 H new ATOM 0 HG2 GLU B 64 0.018 -14.861 -0.759 1.00 0.00 H new ATOM 0 HG3 GLU B 64 1.137 -14.546 -2.070 1.00 0.00 H new ATOM 1889 N ARG B 65 2.976 -12.466 -2.145 1.00 0.00 N ATOM 1890 CA ARG B 65 2.888 -11.814 -3.441 1.00 0.00 C ATOM 1891 C ARG B 65 4.245 -11.424 -3.948 1.00 0.00 C ATOM 1892 O ARG B 65 4.432 -11.251 -5.122 1.00 0.00 O ATOM 1893 CB ARG B 65 1.980 -10.590 -3.394 1.00 0.00 C ATOM 1894 CG ARG B 65 0.573 -10.906 -2.970 1.00 0.00 C ATOM 1895 CD ARG B 65 -0.322 -9.694 -3.050 1.00 0.00 C ATOM 1896 NE ARG B 65 -1.662 -10.002 -2.550 1.00 0.00 N ATOM 1897 CZ ARG B 65 -2.721 -9.203 -2.636 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -2.672 -8.100 -3.369 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -3.850 -9.539 -2.006 1.00 0.00 N ATOM 0 H ARG B 65 2.615 -11.911 -1.369 1.00 0.00 H new ATOM 0 HA ARG B 65 2.452 -12.538 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.404 -9.859 -2.705 1.00 0.00 H new ATOM 0 HB3 ARG B 65 1.959 -10.125 -4.379 1.00 0.00 H new ATOM 0 HG2 ARG B 65 0.171 -11.697 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG B 65 0.578 -11.287 -1.949 1.00 0.00 H new ATOM 0 HD2 ARG B 65 0.109 -8.879 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG B 65 -0.385 -9.350 -4.083 1.00 0.00 H new ATOM 0 HE ARG B 65 -1.795 -10.906 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -1.818 -7.859 -3.872 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -3.488 -7.492 -3.430 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -3.894 -10.402 -1.465 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -4.668 -8.932 -2.066 1.00 0.00 H new ATOM 1913 N LEU B 66 5.203 -11.356 -3.056 1.00 0.00 N ATOM 1914 CA LEU B 66 6.548 -10.949 -3.405 1.00 0.00 C ATOM 1915 C LEU B 66 7.215 -11.983 -4.312 1.00 0.00 C ATOM 1916 O LEU B 66 8.143 -11.659 -5.059 1.00 0.00 O ATOM 1917 CB LEU B 66 7.370 -10.737 -2.140 1.00 0.00 C ATOM 1918 CG LEU B 66 8.691 -10.004 -2.280 1.00 0.00 C ATOM 1919 CD1 LEU B 66 8.460 -8.629 -2.888 1.00 0.00 C ATOM 1920 CD2 LEU B 66 9.323 -9.861 -0.917 1.00 0.00 C ATOM 0 H LEU B 66 5.076 -11.580 -2.069 1.00 0.00 H new ATOM 0 HA LEU B 66 6.494 -10.009 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU B 66 6.755 -10.189 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU B 66 7.572 -11.714 -1.702 1.00 0.00 H new ATOM 0 HG LEU B 66 9.354 -10.570 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU B 66 9.413 -8.109 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU B 66 8.004 -8.738 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU B 66 7.797 -8.053 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU B 66 10.273 -9.335 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU B 66 8.657 -9.296 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU B 66 9.496 -10.849 -0.490 1.00 0.00 H new ATOM 1932 N ARG B 67 6.730 -13.213 -4.276 1.00 0.00 N ATOM 1933 CA ARG B 67 7.304 -14.242 -5.113 1.00 0.00 C ATOM 1934 C ARG B 67 6.751 -14.124 -6.545 1.00 0.00 C ATOM 1935 O ARG B 67 7.437 -14.438 -7.510 1.00 0.00 O ATOM 1936 CB ARG B 67 7.068 -15.659 -4.531 1.00 0.00 C ATOM 1937 CG ARG B 67 5.658 -16.210 -4.697 1.00 0.00 C ATOM 1938 CD ARG B 67 5.486 -17.531 -3.975 1.00 0.00 C ATOM 1939 NE ARG B 67 4.247 -18.205 -4.365 1.00 0.00 N ATOM 1940 CZ ARG B 67 3.679 -19.222 -3.712 1.00 0.00 C ATOM 1941 NH1 ARG B 67 4.226 -19.705 -2.610 1.00 0.00 N ATOM 1942 NH2 ARG B 67 2.573 -19.771 -4.187 1.00 0.00 N ATOM 0 H ARG B 67 5.955 -13.516 -3.686 1.00 0.00 H new ATOM 0 HA ARG B 67 8.383 -14.093 -5.142 1.00 0.00 H new ATOM 0 HB2 ARG B 67 7.767 -16.348 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG B 67 7.309 -15.641 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG B 67 4.937 -15.488 -4.313 1.00 0.00 H new ATOM 0 HG3 ARG B 67 5.441 -16.343 -5.757 1.00 0.00 H new ATOM 0 HD2 ARG B 67 6.336 -18.178 -4.193 1.00 0.00 H new ATOM 0 HD3 ARG B 67 5.483 -17.360 -2.899 1.00 0.00 H new ATOM 0 HE ARG B 67 3.778 -17.870 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG B 67 5.091 -19.301 -2.250 1.00 0.00 H new ATOM 0 HH12 ARG B 67 3.784 -20.482 -2.119 1.00 0.00 H new ATOM 0 HH21 ARG B 67 2.157 -19.417 -5.049 1.00 0.00 H new ATOM 0 HH22 ARG B 67 2.136 -20.548 -3.691 1.00 0.00 H new ATOM 1956 N ASN B 68 5.538 -13.600 -6.674 1.00 0.00 N ATOM 1957 CA ASN B 68 4.861 -13.469 -7.977 1.00 0.00 C ATOM 1958 C ASN B 68 3.909 -12.270 -7.969 1.00 0.00 C ATOM 1959 O ASN B 68 2.701 -12.444 -7.747 1.00 0.00 O ATOM 1960 CB ASN B 68 4.065 -14.753 -8.345 1.00 0.00 C ATOM 1961 CG ASN B 68 4.921 -15.929 -8.788 1.00 0.00 C ATOM 1962 OD1 ASN B 68 5.363 -16.742 -7.976 1.00 0.00 O ATOM 1963 ND2 ASN B 68 5.116 -16.056 -10.062 1.00 0.00 N ATOM 0 H ASN B 68 4.990 -13.252 -5.887 1.00 0.00 H new ATOM 0 HA ASN B 68 5.637 -13.318 -8.727 1.00 0.00 H new ATOM 0 HB2 ASN B 68 3.474 -15.057 -7.481 1.00 0.00 H new ATOM 0 HB3 ASN B 68 3.363 -14.512 -9.143 1.00 0.00 H new ATOM 0 HD21 ASN B 68 5.650 -16.848 -10.420 1.00 0.00 H new ATOM 0 HD22 ASN B 68 4.736 -15.364 -10.708 1.00 0.00 H new ATOM 1970 N PRO B 69 4.443 -11.033 -8.104 1.00 0.00 N ATOM 1971 CA PRO B 69 3.635 -9.816 -8.086 1.00 0.00 C ATOM 1972 C PRO B 69 3.313 -9.223 -9.480 1.00 0.00 C ATOM 1973 O PRO B 69 2.161 -9.214 -9.897 1.00 0.00 O ATOM 1974 CB PRO B 69 4.531 -8.840 -7.303 1.00 0.00 C ATOM 1975 CG PRO B 69 5.938 -9.412 -7.372 1.00 0.00 C ATOM 1976 CD PRO B 69 5.863 -10.711 -8.158 1.00 0.00 C ATOM 0 HA PRO B 69 2.652 -10.011 -7.658 1.00 0.00 H new ATOM 0 HB2 PRO B 69 4.494 -7.842 -7.739 1.00 0.00 H new ATOM 0 HB3 PRO B 69 4.198 -8.749 -6.269 1.00 0.00 H new ATOM 0 HG2 PRO B 69 6.615 -8.709 -7.857 1.00 0.00 H new ATOM 0 HG3 PRO B 69 6.329 -9.592 -6.370 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.212 -10.585 -9.183 1.00 0.00 H new ATOM 0 HD3 PRO B 69 6.474 -11.493 -7.707 1.00 0.00 H new ATOM 1984 N LYS B 70 4.371 -8.785 -10.199 1.00 0.00 N ATOM 1985 CA LYS B 70 4.270 -8.017 -11.452 1.00 0.00 C ATOM 1986 C LYS B 70 3.700 -6.632 -11.185 1.00 0.00 C ATOM 1987 O LYS B 70 2.489 -6.441 -11.130 1.00 0.00 O ATOM 1988 CB LYS B 70 3.520 -8.722 -12.609 1.00 0.00 C ATOM 1989 CG LYS B 70 4.314 -9.782 -13.377 1.00 0.00 C ATOM 1990 CD LYS B 70 4.654 -10.993 -12.538 1.00 0.00 C ATOM 1991 CE LYS B 70 5.333 -12.061 -13.380 1.00 0.00 C ATOM 1992 NZ LYS B 70 5.658 -13.269 -12.603 1.00 0.00 N ATOM 0 H LYS B 70 5.335 -8.961 -9.916 1.00 0.00 H new ATOM 0 HA LYS B 70 5.295 -7.931 -11.814 1.00 0.00 H new ATOM 0 HB2 LYS B 70 2.625 -9.192 -12.202 1.00 0.00 H new ATOM 0 HB3 LYS B 70 3.188 -7.962 -13.316 1.00 0.00 H new ATOM 0 HG2 LYS B 70 3.738 -10.100 -14.246 1.00 0.00 H new ATOM 0 HG3 LYS B 70 5.236 -9.336 -13.751 1.00 0.00 H new ATOM 0 HD2 LYS B 70 5.309 -10.700 -11.717 1.00 0.00 H new ATOM 0 HD3 LYS B 70 3.746 -11.398 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS B 70 4.682 -12.332 -14.211 1.00 0.00 H new ATOM 0 HE3 LYS B 70 6.247 -11.653 -13.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 6.119 -13.966 -13.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 6.301 -13.019 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 4.784 -13.676 -12.213 1.00 0.00 H new ATOM 2006 N PRO B 71 4.580 -5.654 -10.949 1.00 0.00 N ATOM 2007 CA PRO B 71 4.168 -4.306 -10.650 1.00 0.00 C ATOM 2008 C PRO B 71 3.883 -3.476 -11.905 1.00 0.00 C ATOM 2009 O PRO B 71 4.652 -3.497 -12.884 1.00 0.00 O ATOM 2010 CB PRO B 71 5.360 -3.741 -9.878 1.00 0.00 C ATOM 2011 CG PRO B 71 6.551 -4.482 -10.394 1.00 0.00 C ATOM 2012 CD PRO B 71 6.053 -5.791 -10.958 1.00 0.00 C ATOM 0 HA PRO B 71 3.231 -4.281 -10.094 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.462 -2.668 -10.043 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.239 -3.889 -8.805 1.00 0.00 H new ATOM 0 HG2 PRO B 71 7.062 -3.902 -11.162 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.271 -4.657 -9.595 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.431 -5.960 -11.966 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.378 -6.636 -10.350 1.00 0.00 H new ATOM 2020 N VAL B 72 2.773 -2.800 -11.892 1.00 0.00 N ATOM 2021 CA VAL B 72 2.393 -1.892 -12.935 1.00 0.00 C ATOM 2022 C VAL B 72 2.663 -0.493 -12.416 1.00 0.00 C ATOM 2023 O VAL B 72 2.160 -0.125 -11.341 1.00 0.00 O ATOM 2024 CB VAL B 72 0.881 -2.031 -13.278 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.481 -1.094 -14.414 1.00 0.00 C ATOM 2026 CG2 VAL B 72 0.536 -3.475 -13.622 1.00 0.00 C ATOM 0 H VAL B 72 2.089 -2.866 -11.138 1.00 0.00 H new ATOM 0 HA VAL B 72 2.958 -2.106 -13.843 1.00 0.00 H new ATOM 0 HB VAL B 72 0.312 -1.743 -12.394 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.581 -1.216 -14.629 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.676 -0.063 -14.121 1.00 0.00 H new ATOM 0 HG13 VAL B 72 1.062 -1.334 -15.305 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.525 -3.549 -13.858 1.00 0.00 H new ATOM 0 HG22 VAL B 72 1.123 -3.794 -14.483 1.00 0.00 H new ATOM 0 HG23 VAL B 72 0.764 -4.116 -12.770 1.00 0.00 H new ATOM 2036 N ARG B 73 3.455 0.272 -13.141 1.00 0.00 N ATOM 2037 CA ARG B 73 3.817 1.592 -12.690 1.00 0.00 C ATOM 2038 C ARG B 73 2.687 2.529 -13.059 1.00 0.00 C ATOM 2039 O ARG B 73 2.341 2.685 -14.234 1.00 0.00 O ATOM 2040 CB ARG B 73 5.172 2.036 -13.310 1.00 0.00 C ATOM 2041 CG ARG B 73 5.917 3.176 -12.570 1.00 0.00 C ATOM 2042 CD ARG B 73 5.236 4.538 -12.679 1.00 0.00 C ATOM 2043 NE ARG B 73 5.240 5.054 -14.055 1.00 0.00 N ATOM 2044 CZ ARG B 73 4.215 5.665 -14.662 1.00 0.00 C ATOM 2045 NH1 ARG B 73 3.074 5.859 -14.016 1.00 0.00 N ATOM 2046 NH2 ARG B 73 4.348 6.098 -15.898 1.00 0.00 N ATOM 0 H ARG B 73 3.856 0.001 -14.039 1.00 0.00 H new ATOM 0 HA ARG B 73 3.960 1.605 -11.609 1.00 0.00 H new ATOM 0 HB2 ARG B 73 5.830 1.168 -13.355 1.00 0.00 H new ATOM 0 HB3 ARG B 73 4.992 2.353 -14.337 1.00 0.00 H new ATOM 0 HG2 ARG B 73 6.010 2.911 -11.517 1.00 0.00 H new ATOM 0 HG3 ARG B 73 6.928 3.254 -12.969 1.00 0.00 H new ATOM 0 HD2 ARG B 73 4.208 4.457 -12.326 1.00 0.00 H new ATOM 0 HD3 ARG B 73 5.742 5.248 -12.025 1.00 0.00 H new ATOM 0 HE ARG B 73 6.098 4.936 -14.594 1.00 0.00 H new ATOM 0 HH11 ARG B 73 2.974 5.542 -13.052 1.00 0.00 H new ATOM 0 HH12 ARG B 73 2.296 6.325 -14.483 1.00 0.00 H new ATOM 0 HH21 ARG B 73 5.231 5.968 -16.392 1.00 0.00 H new ATOM 0 HH22 ARG B 73 3.568 6.564 -16.362 1.00 0.00 H new ATOM 2060 N VAL B 74 2.106 3.118 -12.070 1.00 0.00 N ATOM 2061 CA VAL B 74 0.993 4.009 -12.227 1.00 0.00 C ATOM 2062 C VAL B 74 1.275 5.303 -11.481 1.00 0.00 C ATOM 2063 O VAL B 74 2.365 5.506 -10.964 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.346 3.383 -11.712 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -0.801 2.225 -12.584 1.00 0.00 C ATOM 2066 CG2 VAL B 74 -0.198 2.911 -10.285 1.00 0.00 C ATOM 0 H VAL B 74 2.396 2.994 -11.100 1.00 0.00 H new ATOM 0 HA VAL B 74 0.871 4.204 -13.293 1.00 0.00 H new ATOM 0 HB VAL B 74 -1.104 4.165 -11.761 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.734 1.819 -12.192 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -0.959 2.577 -13.603 1.00 0.00 H new ATOM 0 HG13 VAL B 74 -0.038 1.447 -12.583 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -1.139 2.479 -9.945 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.588 2.157 -10.231 1.00 0.00 H new ATOM 0 HG23 VAL B 74 0.065 3.755 -9.648 1.00 0.00 H new ATOM 2076 N THR B 75 0.364 6.195 -11.540 1.00 0.00 N ATOM 2077 CA THR B 75 0.398 7.417 -10.805 1.00 0.00 C ATOM 2078 C THR B 75 -0.975 7.578 -10.207 1.00 0.00 C ATOM 2079 O THR B 75 -1.901 6.878 -10.622 1.00 0.00 O ATOM 2080 CB THR B 75 0.737 8.642 -11.704 1.00 0.00 C ATOM 2081 OG1 THR B 75 -0.139 8.679 -12.827 1.00 0.00 O ATOM 2082 CG2 THR B 75 2.183 8.612 -12.179 1.00 0.00 C ATOM 0 H THR B 75 -0.466 6.098 -12.125 1.00 0.00 H new ATOM 0 HA THR B 75 1.180 7.377 -10.047 1.00 0.00 H new ATOM 0 HB THR B 75 0.602 9.541 -11.102 1.00 0.00 H new ATOM 0 HG1 THR B 75 0.165 8.036 -13.501 1.00 0.00 H new ATOM 0 HG21 THR B 75 2.379 9.484 -12.803 1.00 0.00 H new ATOM 0 HG22 THR B 75 2.850 8.626 -11.317 1.00 0.00 H new ATOM 0 HG23 THR B 75 2.357 7.705 -12.758 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.134 8.464 -9.265 1.00 0.00 N ATOM 2091 CA LEU B 76 -2.447 8.699 -8.682 1.00 0.00 C ATOM 2092 C LEU B 76 -3.342 9.400 -9.674 1.00 0.00 C ATOM 2093 O LEU B 76 -4.550 9.257 -9.635 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.323 9.514 -7.411 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.551 8.841 -6.293 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -1.303 9.811 -5.180 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -2.310 7.636 -5.766 1.00 0.00 C ATOM 0 H LEU B 76 -0.384 9.037 -8.879 1.00 0.00 H new ATOM 0 HA LEU B 76 -2.894 7.737 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -1.837 10.460 -7.650 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.324 9.751 -7.050 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.595 8.503 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.748 9.316 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -0.724 10.655 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -2.256 10.169 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.738 7.168 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -3.279 7.956 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.458 6.918 -6.573 1.00 0.00 H new ATOM 2109 N ASP B 77 -2.722 10.112 -10.596 1.00 0.00 N ATOM 2110 CA ASP B 77 -3.452 10.837 -11.617 1.00 0.00 C ATOM 2111 C ASP B 77 -4.120 9.875 -12.576 1.00 0.00 C ATOM 2112 O ASP B 77 -5.271 10.070 -12.976 1.00 0.00 O ATOM 2113 CB ASP B 77 -2.535 11.785 -12.393 1.00 0.00 C ATOM 2114 CG ASP B 77 -3.284 12.529 -13.477 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -4.078 13.414 -13.151 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -3.092 12.234 -14.676 1.00 0.00 O ATOM 0 H ASP B 77 -1.708 10.204 -10.658 1.00 0.00 H new ATOM 0 HA ASP B 77 -4.214 11.432 -11.114 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -2.086 12.501 -11.705 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -1.719 11.217 -12.839 1.00 0.00 H new ATOM 2121 N GLU B 78 -3.425 8.811 -12.917 1.00 0.00 N ATOM 2122 CA GLU B 78 -3.958 7.861 -13.868 1.00 0.00 C ATOM 2123 C GLU B 78 -4.837 6.806 -13.195 1.00 0.00 C ATOM 2124 O GLU B 78 -5.408 5.936 -13.865 1.00 0.00 O ATOM 2125 CB GLU B 78 -2.854 7.246 -14.717 1.00 0.00 C ATOM 2126 CG GLU B 78 -1.842 6.434 -13.953 1.00 0.00 C ATOM 2127 CD GLU B 78 -0.662 6.046 -14.811 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -0.805 5.202 -15.718 1.00 0.00 O ATOM 2129 OE2 GLU B 78 0.442 6.588 -14.583 1.00 0.00 O ATOM 0 H GLU B 78 -2.499 8.584 -12.554 1.00 0.00 H new ATOM 0 HA GLU B 78 -4.610 8.410 -14.547 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -3.311 6.610 -15.475 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -2.333 8.046 -15.244 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -1.492 7.006 -13.094 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -2.319 5.534 -13.564 1.00 0.00 H new ATOM 2136 N LEU B 79 -4.923 6.865 -11.876 1.00 0.00 N ATOM 2137 CA LEU B 79 -5.856 6.032 -11.165 1.00 0.00 C ATOM 2138 C LEU B 79 -7.192 6.731 -11.139 1.00 0.00 C ATOM 2139 O LEU B 79 -8.013 6.458 -12.008 1.00 0.00 O ATOM 2140 CB LEU B 79 -5.397 5.720 -9.738 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.102 4.929 -9.591 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -3.835 4.641 -8.134 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -4.153 3.636 -10.391 1.00 0.00 C ATOM 2144 OXT LEU B 79 -7.410 7.617 -10.277 1.00 0.00 O ATOM 0 H LEU B 79 -4.359 7.478 -11.287 1.00 0.00 H new ATOM 0 HA LEU B 79 -5.927 5.076 -11.684 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -5.282 6.663 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.192 5.166 -9.239 1.00 0.00 H new ATOM 0 HG LEU B 79 -3.286 5.532 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -2.908 4.076 -8.039 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -3.745 5.580 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -4.659 4.059 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -3.216 3.094 -10.266 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -4.979 3.020 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.301 3.866 -11.446 1.00 0.00 H new