USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -172:sc=-0.00191 (180deg=-0.129) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc=-0.00528 X(o=-0.0053,f=0) USER MOD Single : A 15 MET CE :methyl 178:sc= -0.25 (180deg=-0.256) USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0205) USER MOD Single : A 18 TYR OH : rot -30:sc= -0.164 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -8.6! C(o=-8.6!,f=-11!) USER MOD Single : A 46 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.073) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 15 MET CE :methyl -170:sc= -0.141 (180deg=-0.215) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot -139:sc= -1.56 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -175:sc= 0.857 (180deg=0.819) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 HIS : no HE2:sc= -3.58! C(o=-3.6!,f=-11!) USER MOD Single : B 46 THR OG1 : rot 79:sc= 0.208 USER MOD Single : B 48 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 32 N TYR A 3 -3.453 -14.850 -4.492 1.00 0.00 N ATOM 33 CA TYR A 3 -2.601 -13.697 -4.836 1.00 0.00 C ATOM 34 C TYR A 3 -2.687 -12.560 -3.805 1.00 0.00 C ATOM 35 O TYR A 3 -1.736 -11.805 -3.632 1.00 0.00 O ATOM 36 CB TYR A 3 -2.985 -13.142 -6.220 1.00 0.00 C ATOM 37 CG TYR A 3 -3.217 -14.174 -7.310 1.00 0.00 C ATOM 38 CD1 TYR A 3 -2.124 -14.827 -7.912 1.00 0.00 C ATOM 39 CD2 TYR A 3 -4.531 -14.467 -7.731 1.00 0.00 C ATOM 40 CE1 TYR A 3 -2.344 -15.781 -8.924 1.00 0.00 C ATOM 41 CE2 TYR A 3 -4.755 -15.423 -8.740 1.00 0.00 C ATOM 42 CZ TYR A 3 -3.660 -16.087 -9.337 1.00 0.00 C ATOM 43 OH TYR A 3 -3.864 -17.016 -10.312 1.00 0.00 O ATOM 0 HA TYR A 3 -1.575 -14.066 -4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.892 -12.547 -6.112 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.197 -12.465 -6.550 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -1.117 -14.596 -7.597 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.368 -13.956 -7.278 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.505 -16.280 -9.386 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.762 -15.648 -9.057 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.825 -17.110 -10.478 1.00 0.00 H new ATOM 53 N LEU A 4 -3.822 -12.456 -3.101 1.00 0.00 N ATOM 54 CA LEU A 4 -4.136 -11.500 -2.042 1.00 0.00 C ATOM 55 C LEU A 4 -3.052 -11.451 -0.953 1.00 0.00 C ATOM 56 O LEU A 4 -2.750 -10.371 -0.459 1.00 0.00 O ATOM 57 CB LEU A 4 -5.518 -11.866 -1.474 1.00 0.00 C ATOM 58 CG LEU A 4 -6.625 -12.147 -2.515 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.962 -12.393 -1.822 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.807 -11.027 -3.539 1.00 0.00 C ATOM 0 H LEU A 4 -4.602 -13.090 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.161 -10.492 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.408 -12.748 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.851 -11.053 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.296 -13.035 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.729 -12.589 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.875 -13.253 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.238 -11.513 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.601 -11.296 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.074 -10.104 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.877 -10.881 -4.088 1.00 0.00 H new ATOM 72 N ARG A 5 -2.385 -12.564 -0.612 1.00 0.00 N ATOM 73 CA ARG A 5 -1.277 -12.516 0.358 1.00 0.00 C ATOM 74 C ARG A 5 -0.024 -11.882 -0.236 1.00 0.00 C ATOM 75 O ARG A 5 0.584 -11.044 0.424 1.00 0.00 O ATOM 76 CB ARG A 5 -0.977 -13.928 0.889 1.00 0.00 C ATOM 77 CG ARG A 5 -0.355 -13.861 2.292 1.00 0.00 C ATOM 78 CD ARG A 5 0.528 -15.077 2.590 1.00 0.00 C ATOM 79 NE ARG A 5 1.852 -14.942 1.945 1.00 0.00 N ATOM 80 CZ ARG A 5 2.726 -15.903 1.704 1.00 0.00 C ATOM 81 NH1 ARG A 5 2.482 -17.153 1.978 1.00 0.00 N ATOM 82 NH2 ARG A 5 3.883 -15.620 1.177 1.00 0.00 N ATOM 0 H ARG A 5 -2.587 -13.492 -0.984 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.590 -11.884 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.896 -14.513 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.297 -14.441 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.239 -12.952 2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.148 -13.798 3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.654 -15.184 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.037 -15.983 2.235 1.00 0.00 H new ATOM 0 HE ARG A 5 2.120 -14.002 1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.589 -17.419 2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.183 -17.866 1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.117 -14.654 0.949 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.555 -16.365 0.992 1.00 0.00 H new ATOM 96 N GLU A 6 0.338 -12.230 -1.475 1.00 0.00 N ATOM 97 CA GLU A 6 1.440 -11.621 -2.213 1.00 0.00 C ATOM 98 C GLU A 6 1.216 -10.119 -2.447 1.00 0.00 C ATOM 99 O GLU A 6 2.134 -9.322 -2.278 1.00 0.00 O ATOM 100 CB GLU A 6 1.638 -12.365 -3.545 1.00 0.00 C ATOM 101 CG GLU A 6 2.886 -13.261 -3.529 1.00 0.00 C ATOM 102 CD GLU A 6 3.689 -13.160 -4.840 1.00 0.00 C ATOM 103 OE1 GLU A 6 3.409 -13.933 -5.789 1.00 0.00 O ATOM 104 OE2 GLU A 6 4.625 -12.327 -4.911 1.00 0.00 O ATOM 0 H GLU A 6 -0.141 -12.961 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 6 2.345 -11.711 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.758 -12.974 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.723 -11.640 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.524 -12.979 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.586 -14.296 -3.367 1.00 0.00 H new ATOM 111 N LEU A 7 -0.019 -9.722 -2.752 1.00 0.00 N ATOM 112 CA LEU A 7 -0.458 -8.332 -2.830 1.00 0.00 C ATOM 113 C LEU A 7 -0.236 -7.602 -1.509 1.00 0.00 C ATOM 114 O LEU A 7 0.467 -6.596 -1.478 1.00 0.00 O ATOM 115 CB LEU A 7 -1.939 -8.350 -3.228 1.00 0.00 C ATOM 116 CG LEU A 7 -2.197 -8.719 -4.691 1.00 0.00 C ATOM 117 CD1 LEU A 7 -3.624 -9.195 -4.966 1.00 0.00 C ATOM 118 CD2 LEU A 7 -2.033 -7.474 -5.520 1.00 0.00 C ATOM 0 H LEU A 7 -0.767 -10.384 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 7 0.126 -7.787 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.466 -9.059 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.367 -7.367 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.501 -9.523 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.729 -9.438 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.833 -10.082 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.328 -8.405 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.212 -7.709 -6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.748 -6.720 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.020 -7.089 -5.402 1.00 0.00 H new ATOM 130 N TYR A 8 -0.764 -8.131 -0.408 1.00 0.00 N ATOM 131 CA TYR A 8 -0.579 -7.565 0.933 1.00 0.00 C ATOM 132 C TYR A 8 0.891 -7.325 1.282 1.00 0.00 C ATOM 133 O TYR A 8 1.279 -6.205 1.621 1.00 0.00 O ATOM 134 CB TYR A 8 -1.261 -8.489 1.949 1.00 0.00 C ATOM 135 CG TYR A 8 -1.948 -7.774 3.098 1.00 0.00 C ATOM 136 CD1 TYR A 8 -1.196 -7.116 4.091 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.358 -7.747 3.156 1.00 0.00 C ATOM 138 CE1 TYR A 8 -1.852 -6.431 5.134 1.00 0.00 C ATOM 139 CE2 TYR A 8 -4.016 -7.054 4.189 1.00 0.00 C ATOM 140 CZ TYR A 8 -3.263 -6.396 5.186 1.00 0.00 C ATOM 141 OH TYR A 8 -3.888 -5.732 6.197 1.00 0.00 O ATOM 0 H TYR A 8 -1.339 -8.973 -0.418 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.042 -6.578 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.998 -9.099 1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.515 -9.170 2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.117 -7.136 4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.936 -8.262 2.403 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.273 -5.931 5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.095 -7.025 4.219 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.859 -5.804 6.085 1.00 0.00 H new ATOM 151 N LYS A 9 1.725 -8.357 1.113 1.00 0.00 N ATOM 152 CA LYS A 9 3.183 -8.272 1.351 1.00 0.00 C ATOM 153 C LYS A 9 3.989 -7.458 0.330 1.00 0.00 C ATOM 154 O LYS A 9 5.191 -7.297 0.526 1.00 0.00 O ATOM 155 CB LYS A 9 3.792 -9.659 1.651 1.00 0.00 C ATOM 156 CG LYS A 9 3.808 -10.638 0.465 1.00 0.00 C ATOM 157 CD LYS A 9 4.934 -10.521 -0.577 1.00 0.00 C ATOM 158 CE LYS A 9 6.203 -11.329 -0.257 1.00 0.00 C ATOM 159 NZ LYS A 9 6.938 -10.829 0.936 1.00 0.00 N ATOM 0 H LYS A 9 1.414 -9.279 0.807 1.00 0.00 H new ATOM 0 HA LYS A 9 3.277 -7.666 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.815 -9.521 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.234 -10.114 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.838 -11.649 0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.859 -10.535 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.549 -10.846 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.206 -9.471 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.929 -12.372 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.868 -11.304 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.848 -11.327 1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.109 -9.808 0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.371 -11.002 1.791 1.00 0.00 H new ATOM 173 N LEU A 10 3.358 -6.914 -0.710 1.00 0.00 N ATOM 174 CA LEU A 10 3.948 -5.895 -1.596 1.00 0.00 C ATOM 175 C LEU A 10 3.408 -4.492 -1.278 1.00 0.00 C ATOM 176 O LEU A 10 4.169 -3.527 -1.285 1.00 0.00 O ATOM 177 CB LEU A 10 3.659 -6.265 -3.068 1.00 0.00 C ATOM 178 CG LEU A 10 4.424 -7.497 -3.597 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.853 -7.943 -4.944 1.00 0.00 C ATOM 180 CD2 LEU A 10 5.908 -7.208 -3.801 1.00 0.00 C ATOM 0 H LEU A 10 2.405 -7.169 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 10 5.025 -5.874 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.590 -6.446 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.903 -5.408 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 10 4.308 -8.277 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.404 -8.813 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.801 -8.203 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.947 -7.131 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.405 -8.103 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.025 -6.400 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.355 -6.913 -2.852 1.00 0.00 H new ATOM 192 N GLU A 11 2.120 -4.360 -0.952 1.00 0.00 N ATOM 193 CA GLU A 11 1.449 -3.066 -0.774 1.00 0.00 C ATOM 194 C GLU A 11 1.809 -2.407 0.568 1.00 0.00 C ATOM 195 O GLU A 11 2.158 -1.225 0.600 1.00 0.00 O ATOM 196 CB GLU A 11 -0.067 -3.285 -0.890 1.00 0.00 C ATOM 197 CG GLU A 11 -0.517 -3.708 -2.300 1.00 0.00 C ATOM 198 CD GLU A 11 -0.857 -2.504 -3.174 1.00 0.00 C ATOM 199 OE1 GLU A 11 -0.078 -1.815 -3.857 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.989 -2.008 -3.282 1.00 0.00 O ATOM 0 H GLU A 11 1.504 -5.159 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 11 1.789 -2.382 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.372 -4.049 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.582 -2.365 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.274 -4.289 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.388 -4.358 -2.223 1.00 0.00 H new ATOM 207 N GLN A 12 1.810 -3.168 1.670 1.00 0.00 N ATOM 208 CA GLN A 12 2.292 -2.698 2.975 1.00 0.00 C ATOM 209 C GLN A 12 3.814 -2.447 2.970 1.00 0.00 C ATOM 210 O GLN A 12 4.301 -1.511 3.607 1.00 0.00 O ATOM 211 CB GLN A 12 1.881 -3.721 4.050 1.00 0.00 C ATOM 212 CG GLN A 12 0.831 -3.159 5.012 1.00 0.00 C ATOM 213 CD GLN A 12 1.428 -2.216 6.056 1.00 0.00 C ATOM 214 OE1 GLN A 12 1.491 -1.007 5.884 1.00 0.00 O ATOM 215 NE2 GLN A 12 1.893 -2.731 7.176 1.00 0.00 N ATOM 0 H GLN A 12 1.475 -4.131 1.681 1.00 0.00 H new ATOM 0 HA GLN A 12 1.833 -1.736 3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.487 -4.615 3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.762 -4.026 4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.070 -2.627 4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.330 -3.984 5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.847 -3.738 7.332 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.299 -2.123 7.887 1.00 0.00 H new ATOM 224 N GLN A 13 4.569 -3.240 2.201 1.00 0.00 N ATOM 225 CA GLN A 13 6.008 -3.066 1.981 1.00 0.00 C ATOM 226 C GLN A 13 6.339 -1.778 1.207 1.00 0.00 C ATOM 227 O GLN A 13 7.281 -1.076 1.572 1.00 0.00 O ATOM 228 CB GLN A 13 6.558 -4.316 1.291 1.00 0.00 C ATOM 229 CG GLN A 13 7.324 -5.257 2.242 1.00 0.00 C ATOM 230 CD GLN A 13 8.832 -5.003 2.280 1.00 0.00 C ATOM 231 OE1 GLN A 13 9.637 -5.876 1.979 1.00 0.00 O ATOM 232 NE2 GLN A 13 9.292 -3.824 2.645 1.00 0.00 N ATOM 0 H GLN A 13 4.185 -4.042 1.701 1.00 0.00 H new ATOM 0 HA GLN A 13 6.497 -2.947 2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.732 -4.864 0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.221 -4.012 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.921 -5.147 3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.146 -6.289 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.643 -3.080 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.298 -3.655 2.672 1.00 0.00 H new ATOM 241 N ALA A 14 5.543 -1.426 0.192 1.00 0.00 N ATOM 242 CA ALA A 14 5.630 -0.136 -0.493 1.00 0.00 C ATOM 243 C ALA A 14 5.230 1.040 0.422 1.00 0.00 C ATOM 244 O ALA A 14 5.956 2.032 0.500 1.00 0.00 O ATOM 245 CB ALA A 14 4.769 -0.202 -1.760 1.00 0.00 C ATOM 0 H ALA A 14 4.814 -2.035 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 14 6.667 0.055 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.821 0.752 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.139 -0.995 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.735 -0.410 -1.487 1.00 0.00 H new ATOM 251 N MET A 15 4.128 0.924 1.177 1.00 0.00 N ATOM 252 CA MET A 15 3.675 1.930 2.159 1.00 0.00 C ATOM 253 C MET A 15 4.761 2.306 3.178 1.00 0.00 C ATOM 254 O MET A 15 4.963 3.488 3.453 1.00 0.00 O ATOM 255 CB MET A 15 2.425 1.397 2.874 1.00 0.00 C ATOM 256 CG MET A 15 1.847 2.396 3.889 1.00 0.00 C ATOM 257 SD MET A 15 0.055 2.615 3.783 1.00 0.00 S ATOM 258 CE MET A 15 0.011 3.501 2.205 1.00 0.00 C ATOM 0 H MET A 15 3.512 0.113 1.124 1.00 0.00 H new ATOM 0 HA MET A 15 3.442 2.846 1.616 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.663 1.157 2.133 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.674 0.468 3.387 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.101 2.062 4.895 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.328 3.363 3.743 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.024 3.705 1.931 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.553 4.442 2.301 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.477 2.890 1.432 1.00 0.00 H new ATOM 268 N LYS A 16 5.510 1.315 3.675 1.00 0.00 N ATOM 269 CA LYS A 16 6.682 1.477 4.556 1.00 0.00 C ATOM 270 C LYS A 16 7.722 2.482 4.039 1.00 0.00 C ATOM 271 O LYS A 16 8.329 3.197 4.830 1.00 0.00 O ATOM 272 CB LYS A 16 7.335 0.094 4.734 1.00 0.00 C ATOM 273 CG LYS A 16 7.268 -0.455 6.166 1.00 0.00 C ATOM 274 CD LYS A 16 8.164 0.321 7.151 1.00 0.00 C ATOM 275 CE LYS A 16 8.889 -0.608 8.137 1.00 0.00 C ATOM 276 NZ LYS A 16 9.962 -1.401 7.473 1.00 0.00 N ATOM 0 H LYS A 16 5.311 0.336 3.468 1.00 0.00 H new ATOM 0 HA LYS A 16 6.327 1.886 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.849 -0.614 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.380 0.156 4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.236 -0.418 6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.566 -1.504 6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.900 0.898 6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.556 1.034 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.323 -0.014 8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.168 -1.286 8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.073 -2.312 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.704 -1.570 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.858 -0.875 7.513 1.00 0.00 H new ATOM 290 N LEU A 17 7.920 2.539 2.721 1.00 0.00 N ATOM 291 CA LEU A 17 8.908 3.369 2.037 1.00 0.00 C ATOM 292 C LEU A 17 8.308 4.711 1.634 1.00 0.00 C ATOM 293 O LEU A 17 8.928 5.758 1.826 1.00 0.00 O ATOM 294 CB LEU A 17 9.346 2.606 0.782 1.00 0.00 C ATOM 295 CG LEU A 17 10.026 1.274 1.096 1.00 0.00 C ATOM 296 CD1 LEU A 17 10.013 0.365 -0.130 1.00 0.00 C ATOM 297 CD2 LEU A 17 11.466 1.485 1.559 1.00 0.00 C ATOM 0 H LEU A 17 7.368 1.979 2.071 1.00 0.00 H new ATOM 0 HA LEU A 17 9.751 3.569 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.475 2.423 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.030 3.229 0.206 1.00 0.00 H new ATOM 0 HG LEU A 17 9.466 0.800 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.501 -0.579 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.983 0.174 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.546 0.850 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.924 0.520 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.031 1.987 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.472 2.099 2.459 1.00 0.00 H new ATOM 309 N TYR A 18 7.065 4.680 1.147 1.00 0.00 N ATOM 310 CA TYR A 18 6.280 5.876 0.862 1.00 0.00 C ATOM 311 C TYR A 18 6.153 6.786 2.099 1.00 0.00 C ATOM 312 O TYR A 18 6.357 7.997 1.993 1.00 0.00 O ATOM 313 CB TYR A 18 4.901 5.452 0.329 1.00 0.00 C ATOM 314 CG TYR A 18 4.815 5.085 -1.148 1.00 0.00 C ATOM 315 CD1 TYR A 18 5.324 5.957 -2.133 1.00 0.00 C ATOM 316 CD2 TYR A 18 4.170 3.895 -1.547 1.00 0.00 C ATOM 317 CE1 TYR A 18 5.243 5.622 -3.498 1.00 0.00 C ATOM 318 CE2 TYR A 18 4.085 3.554 -2.913 1.00 0.00 C ATOM 319 CZ TYR A 18 4.644 4.405 -3.891 1.00 0.00 C ATOM 320 OH TYR A 18 4.619 4.044 -5.203 1.00 0.00 O ATOM 0 H TYR A 18 6.573 3.811 0.938 1.00 0.00 H new ATOM 0 HA TYR A 18 6.794 6.465 0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.561 4.596 0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.200 6.265 0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.780 6.890 -1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.739 3.242 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.639 6.295 -4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.592 2.641 -3.211 1.00 0.00 H new ATOM 0 HH TYR A 18 4.592 4.848 -5.763 1.00 0.00 H new ATOM 330 N ARG A 19 5.898 6.223 3.293 1.00 0.00 N ATOM 331 CA ARG A 19 5.829 7.015 4.538 1.00 0.00 C ATOM 332 C ARG A 19 7.190 7.564 4.980 1.00 0.00 C ATOM 333 O ARG A 19 7.251 8.629 5.585 1.00 0.00 O ATOM 334 CB ARG A 19 5.124 6.243 5.673 1.00 0.00 C ATOM 335 CG ARG A 19 5.972 5.141 6.330 1.00 0.00 C ATOM 336 CD ARG A 19 5.309 4.560 7.586 1.00 0.00 C ATOM 337 NE ARG A 19 6.318 4.295 8.634 1.00 0.00 N ATOM 338 CZ ARG A 19 6.093 3.958 9.890 1.00 0.00 C ATOM 339 NH1 ARG A 19 4.900 3.672 10.330 1.00 0.00 N ATOM 340 NH2 ARG A 19 7.079 3.908 10.739 1.00 0.00 N ATOM 0 H ARG A 19 5.736 5.224 3.424 1.00 0.00 H new ATOM 0 HA ARG A 19 5.216 7.886 4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.819 6.954 6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.214 5.793 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.143 4.341 5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.949 5.547 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.560 5.256 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.788 3.636 7.334 1.00 0.00 H new ATOM 0 HE ARG A 19 7.295 4.382 8.356 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.101 3.704 9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.765 3.416 11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.027 4.129 10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.904 3.647 11.709 1.00 0.00 H new ATOM 354 N GLU A 20 8.284 6.873 4.661 1.00 0.00 N ATOM 355 CA GLU A 20 9.645 7.279 5.026 1.00 0.00 C ATOM 356 C GLU A 20 10.076 8.514 4.224 1.00 0.00 C ATOM 357 O GLU A 20 10.568 9.498 4.777 1.00 0.00 O ATOM 358 CB GLU A 20 10.586 6.101 4.736 1.00 0.00 C ATOM 359 CG GLU A 20 11.769 5.998 5.704 1.00 0.00 C ATOM 360 CD GLU A 20 11.370 5.309 7.028 1.00 0.00 C ATOM 361 OE1 GLU A 20 10.643 5.922 7.847 1.00 0.00 O ATOM 362 OE2 GLU A 20 11.798 4.153 7.266 1.00 0.00 O ATOM 0 H GLU A 20 8.251 6.001 4.133 1.00 0.00 H new ATOM 0 HA GLU A 20 9.683 7.542 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.014 5.174 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.968 6.196 3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.577 5.438 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.154 6.996 5.915 1.00 0.00 H new ATOM 369 N ALA A 21 9.805 8.491 2.917 1.00 0.00 N ATOM 370 CA ALA A 21 9.931 9.664 2.046 1.00 0.00 C ATOM 371 C ALA A 21 8.999 10.829 2.463 1.00 0.00 C ATOM 372 O ALA A 21 9.391 11.998 2.390 1.00 0.00 O ATOM 373 CB ALA A 21 9.686 9.221 0.600 1.00 0.00 C ATOM 0 H ALA A 21 9.490 7.653 2.429 1.00 0.00 H new ATOM 0 HA ALA A 21 10.940 10.065 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.775 10.081 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.423 8.468 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.685 8.798 0.514 1.00 0.00 H new ATOM 379 N SER A 22 7.796 10.527 2.966 1.00 0.00 N ATOM 380 CA SER A 22 6.883 11.524 3.548 1.00 0.00 C ATOM 381 C SER A 22 7.475 12.206 4.788 1.00 0.00 C ATOM 382 O SER A 22 7.439 13.430 4.913 1.00 0.00 O ATOM 383 CB SER A 22 5.548 10.870 3.923 1.00 0.00 C ATOM 384 OG SER A 22 4.488 11.811 3.878 1.00 0.00 O ATOM 0 H SER A 22 7.424 9.577 2.982 1.00 0.00 H new ATOM 0 HA SER A 22 6.726 12.288 2.786 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.338 10.048 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.617 10.443 4.923 1.00 0.00 H new ATOM 0 HG SER A 22 3.647 11.369 4.119 1.00 0.00 H new ATOM 390 N GLU A 23 8.071 11.428 5.693 1.00 0.00 N ATOM 391 CA GLU A 23 8.785 11.948 6.873 1.00 0.00 C ATOM 392 C GLU A 23 10.034 12.773 6.507 1.00 0.00 C ATOM 393 O GLU A 23 10.317 13.777 7.168 1.00 0.00 O ATOM 394 CB GLU A 23 9.175 10.797 7.817 1.00 0.00 C ATOM 395 CG GLU A 23 7.991 10.232 8.616 1.00 0.00 C ATOM 396 CD GLU A 23 7.514 11.212 9.706 1.00 0.00 C ATOM 397 OE1 GLU A 23 8.101 11.224 10.816 1.00 0.00 O ATOM 398 OE2 GLU A 23 6.545 11.974 9.467 1.00 0.00 O ATOM 0 H GLU A 23 8.075 10.410 5.632 1.00 0.00 H new ATOM 0 HA GLU A 23 8.094 12.622 7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.624 9.994 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.937 11.150 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.166 10.014 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.282 9.289 9.078 1.00 0.00 H new ATOM 405 N ARG A 24 10.768 12.393 5.447 1.00 0.00 N ATOM 406 CA ARG A 24 11.923 13.158 4.939 1.00 0.00 C ATOM 407 C ARG A 24 11.552 14.516 4.333 1.00 0.00 C ATOM 408 O ARG A 24 12.296 15.477 4.536 1.00 0.00 O ATOM 409 CB ARG A 24 12.709 12.329 3.907 1.00 0.00 C ATOM 410 CG ARG A 24 13.682 11.348 4.575 1.00 0.00 C ATOM 411 CD ARG A 24 14.533 10.625 3.519 1.00 0.00 C ATOM 412 NE ARG A 24 15.835 10.195 4.070 1.00 0.00 N ATOM 413 CZ ARG A 24 16.930 10.932 4.186 1.00 0.00 C ATOM 414 NH1 ARG A 24 16.978 12.178 3.803 1.00 0.00 N ATOM 415 NH2 ARG A 24 18.017 10.426 4.693 1.00 0.00 N ATOM 0 H ARG A 24 10.577 11.544 4.916 1.00 0.00 H new ATOM 0 HA ARG A 24 12.544 13.364 5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.010 11.775 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.264 13.000 3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.331 11.885 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.125 10.618 5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.990 9.756 3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.698 11.287 2.669 1.00 0.00 H new ATOM 0 HE ARG A 24 15.897 9.230 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.153 12.619 3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.841 12.711 3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 24 18.030 9.455 5.005 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.855 11.001 4.779 1.00 0.00 H new ATOM 429 N VAL A 25 10.441 14.607 3.592 1.00 0.00 N ATOM 430 CA VAL A 25 10.053 15.824 2.845 1.00 0.00 C ATOM 431 C VAL A 25 8.535 16.028 2.833 1.00 0.00 C ATOM 432 O VAL A 25 8.052 17.079 3.261 1.00 0.00 O ATOM 433 CB VAL A 25 10.573 15.790 1.388 1.00 0.00 C ATOM 434 CG1 VAL A 25 10.312 17.127 0.686 1.00 0.00 C ATOM 435 CG2 VAL A 25 12.076 15.502 1.264 1.00 0.00 C ATOM 0 H VAL A 25 9.778 13.838 3.489 1.00 0.00 H new ATOM 0 HA VAL A 25 10.515 16.661 3.368 1.00 0.00 H new ATOM 0 HB VAL A 25 10.026 14.971 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.686 17.080 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.241 17.328 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.824 17.926 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.360 15.495 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.639 16.275 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.298 14.531 1.706 1.00 0.00 H new ATOM 445 N GLY A 26 7.787 15.040 2.338 1.00 0.00 N ATOM 446 CA GLY A 26 6.324 15.060 2.220 1.00 0.00 C ATOM 447 C GLY A 26 5.872 14.728 0.798 1.00 0.00 C ATOM 448 O GLY A 26 5.309 13.661 0.579 1.00 0.00 O ATOM 0 H GLY A 26 8.197 14.171 1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.892 14.342 2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.949 16.044 2.502 1.00 0.00 H new ATOM 452 N ASP A 27 6.207 15.621 -0.145 1.00 0.00 N ATOM 453 CA ASP A 27 5.802 15.689 -1.567 1.00 0.00 C ATOM 454 C ASP A 27 4.282 15.553 -1.864 1.00 0.00 C ATOM 455 O ASP A 27 3.622 14.612 -1.417 1.00 0.00 O ATOM 456 CB ASP A 27 6.639 14.717 -2.416 1.00 0.00 C ATOM 457 CG ASP A 27 8.051 15.262 -2.683 1.00 0.00 C ATOM 458 OD1 ASP A 27 8.179 16.215 -3.488 1.00 0.00 O ATOM 459 OD2 ASP A 27 9.030 14.743 -2.099 1.00 0.00 O ATOM 0 H ASP A 27 6.831 16.394 0.087 1.00 0.00 H new ATOM 0 HA ASP A 27 6.017 16.717 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.711 13.757 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.134 14.536 -3.365 1.00 0.00 H new ATOM 464 N PRO A 28 3.680 16.465 -2.660 1.00 0.00 N ATOM 465 CA PRO A 28 2.222 16.552 -2.775 1.00 0.00 C ATOM 466 C PRO A 28 1.585 15.366 -3.513 1.00 0.00 C ATOM 467 O PRO A 28 0.555 14.854 -3.069 1.00 0.00 O ATOM 468 CB PRO A 28 1.946 17.892 -3.470 1.00 0.00 C ATOM 469 CG PRO A 28 3.216 18.152 -4.278 1.00 0.00 C ATOM 470 CD PRO A 28 4.312 17.550 -3.401 1.00 0.00 C ATOM 0 HA PRO A 28 1.760 16.504 -1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.067 17.836 -4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.762 18.687 -2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.176 17.675 -5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.375 19.217 -4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.138 17.179 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.725 18.297 -2.723 1.00 0.00 H new ATOM 478 N VAL A 29 2.201 14.877 -4.599 1.00 0.00 N ATOM 479 CA VAL A 29 1.709 13.676 -5.302 1.00 0.00 C ATOM 480 C VAL A 29 2.031 12.384 -4.533 1.00 0.00 C ATOM 481 O VAL A 29 1.282 11.413 -4.613 1.00 0.00 O ATOM 482 CB VAL A 29 2.135 13.665 -6.791 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.554 13.186 -7.122 1.00 0.00 C ATOM 484 CG2 VAL A 29 1.185 12.799 -7.614 1.00 0.00 C ATOM 0 H VAL A 29 3.038 15.290 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 29 0.620 13.721 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 29 2.101 14.725 -7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.712 13.232 -8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.280 13.826 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.680 12.159 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.500 12.803 -8.657 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.202 11.778 -7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.173 13.197 -7.539 1.00 0.00 H new ATOM 494 N LEU A 30 3.075 12.383 -3.697 1.00 0.00 N ATOM 495 CA LEU A 30 3.441 11.276 -2.811 1.00 0.00 C ATOM 496 C LEU A 30 2.411 11.078 -1.682 1.00 0.00 C ATOM 497 O LEU A 30 1.969 9.955 -1.433 1.00 0.00 O ATOM 498 CB LEU A 30 4.858 11.570 -2.292 1.00 0.00 C ATOM 499 CG LEU A 30 5.700 10.322 -2.013 1.00 0.00 C ATOM 500 CD1 LEU A 30 7.154 10.718 -1.754 1.00 0.00 C ATOM 501 CD2 LEU A 30 5.212 9.513 -0.811 1.00 0.00 C ATOM 0 H LEU A 30 3.708 13.179 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 30 3.437 10.328 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.379 12.189 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.782 12.155 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 30 5.606 9.697 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.745 9.824 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.553 11.231 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.202 11.382 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.855 8.644 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.245 10.135 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.188 9.183 -0.986 1.00 0.00 H new ATOM 513 N ALA A 31 1.937 12.167 -1.066 1.00 0.00 N ATOM 514 CA ALA A 31 0.812 12.127 -0.128 1.00 0.00 C ATOM 515 C ALA A 31 -0.463 11.533 -0.768 1.00 0.00 C ATOM 516 O ALA A 31 -1.144 10.712 -0.148 1.00 0.00 O ATOM 517 CB ALA A 31 0.578 13.542 0.416 1.00 0.00 C ATOM 0 H ALA A 31 2.324 13.101 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 31 1.060 11.460 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.257 13.529 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.476 13.888 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.349 14.216 -0.409 1.00 0.00 H new ATOM 523 N LYS A 32 -0.758 11.881 -2.032 1.00 0.00 N ATOM 524 CA LYS A 32 -1.878 11.309 -2.806 1.00 0.00 C ATOM 525 C LYS A 32 -1.702 9.809 -3.095 1.00 0.00 C ATOM 526 O LYS A 32 -2.656 9.043 -2.975 1.00 0.00 O ATOM 527 CB LYS A 32 -2.067 12.127 -4.097 1.00 0.00 C ATOM 528 CG LYS A 32 -3.338 11.783 -4.893 1.00 0.00 C ATOM 529 CD LYS A 32 -4.630 12.236 -4.195 1.00 0.00 C ATOM 530 CE LYS A 32 -5.839 11.889 -5.074 1.00 0.00 C ATOM 531 NZ LYS A 32 -7.086 12.520 -4.568 1.00 0.00 N ATOM 0 H LYS A 32 -0.221 12.575 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.782 11.378 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.090 13.186 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.199 11.974 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.281 12.250 -5.876 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.378 10.706 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.721 11.748 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.598 13.310 -4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.653 12.219 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.966 10.807 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.881 12.263 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.277 12.185 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.973 13.554 -4.560 1.00 0.00 H new ATOM 545 N ILE A 33 -0.481 9.371 -3.403 1.00 0.00 N ATOM 546 CA ILE A 33 -0.132 7.947 -3.569 1.00 0.00 C ATOM 547 C ILE A 33 -0.372 7.155 -2.284 1.00 0.00 C ATOM 548 O ILE A 33 -1.013 6.108 -2.343 1.00 0.00 O ATOM 549 CB ILE A 33 1.310 7.796 -4.080 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.352 8.244 -5.554 1.00 0.00 C ATOM 551 CG2 ILE A 33 1.808 6.345 -3.974 1.00 0.00 C ATOM 552 CD1 ILE A 33 2.751 8.657 -5.983 1.00 0.00 C ATOM 0 H ILE A 33 0.310 9.999 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.794 7.523 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 33 1.963 8.413 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.003 7.431 -6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.667 9.079 -5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.831 6.283 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.781 6.026 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.166 5.696 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.735 8.965 -7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.091 9.488 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.432 7.814 -5.864 1.00 0.00 H new ATOM 564 N LEU A 34 0.076 7.642 -1.121 1.00 0.00 N ATOM 565 CA LEU A 34 -0.147 6.934 0.148 1.00 0.00 C ATOM 566 C LEU A 34 -1.647 6.848 0.513 1.00 0.00 C ATOM 567 O LEU A 34 -2.091 5.836 1.053 1.00 0.00 O ATOM 568 CB LEU A 34 0.807 7.473 1.240 1.00 0.00 C ATOM 569 CG LEU A 34 0.230 8.409 2.317 1.00 0.00 C ATOM 570 CD1 LEU A 34 -0.529 7.670 3.427 1.00 0.00 C ATOM 571 CD2 LEU A 34 1.379 9.160 2.997 1.00 0.00 C ATOM 0 H LEU A 34 0.592 8.517 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 34 0.127 5.884 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.249 6.616 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.619 8.002 0.741 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.466 9.071 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.908 8.391 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.363 7.119 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.144 6.974 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.977 9.825 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.058 8.444 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.920 9.746 2.254 1.00 0.00 H new ATOM 583 N GLU A 35 -2.449 7.854 0.152 1.00 0.00 N ATOM 584 CA GLU A 35 -3.906 7.856 0.263 1.00 0.00 C ATOM 585 C GLU A 35 -4.579 6.830 -0.669 1.00 0.00 C ATOM 586 O GLU A 35 -5.535 6.163 -0.276 1.00 0.00 O ATOM 587 CB GLU A 35 -4.370 9.275 -0.083 1.00 0.00 C ATOM 588 CG GLU A 35 -4.523 10.170 1.148 1.00 0.00 C ATOM 589 CD GLU A 35 -5.964 10.149 1.692 1.00 0.00 C ATOM 590 OE1 GLU A 35 -6.331 9.194 2.419 1.00 0.00 O ATOM 591 OE2 GLU A 35 -6.739 11.093 1.401 1.00 0.00 O ATOM 0 H GLU A 35 -2.084 8.722 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.193 7.567 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.654 9.729 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.324 9.222 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.835 9.839 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.246 11.192 0.891 1.00 0.00 H new ATOM 598 N ASP A 36 -4.078 6.660 -1.893 1.00 0.00 N ATOM 599 CA ASP A 36 -4.565 5.658 -2.837 1.00 0.00 C ATOM 600 C ASP A 36 -4.161 4.228 -2.428 1.00 0.00 C ATOM 601 O ASP A 36 -4.988 3.317 -2.474 1.00 0.00 O ATOM 602 CB ASP A 36 -4.003 6.000 -4.218 1.00 0.00 C ATOM 603 CG ASP A 36 -4.705 7.165 -4.944 1.00 0.00 C ATOM 604 OD1 ASP A 36 -5.849 7.545 -4.592 1.00 0.00 O ATOM 605 OD2 ASP A 36 -4.106 7.672 -5.922 1.00 0.00 O ATOM 0 H ASP A 36 -3.311 7.224 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.655 5.678 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.946 6.244 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.064 5.112 -4.847 1.00 0.00 H new ATOM 610 N GLU A 37 -2.924 4.025 -1.952 1.00 0.00 N ATOM 611 CA GLU A 37 -2.475 2.753 -1.364 1.00 0.00 C ATOM 612 C GLU A 37 -3.234 2.375 -0.062 1.00 0.00 C ATOM 613 O GLU A 37 -3.052 1.269 0.438 1.00 0.00 O ATOM 614 CB GLU A 37 -0.952 2.728 -1.119 1.00 0.00 C ATOM 615 CG GLU A 37 -0.027 2.801 -2.349 1.00 0.00 C ATOM 616 CD GLU A 37 -0.117 1.666 -3.382 1.00 0.00 C ATOM 617 OE1 GLU A 37 -0.969 0.744 -3.347 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.622 1.712 -4.393 1.00 0.00 O ATOM 0 H GLU A 37 -2.201 4.744 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.717 1.997 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.704 3.563 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.715 1.814 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.229 3.740 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.002 2.848 -1.992 1.00 0.00 H new ATOM 625 N GLU A 38 -4.100 3.237 0.489 1.00 0.00 N ATOM 626 CA GLU A 38 -4.968 2.929 1.643 1.00 0.00 C ATOM 627 C GLU A 38 -6.208 2.107 1.241 1.00 0.00 C ATOM 628 O GLU A 38 -6.416 1.004 1.758 1.00 0.00 O ATOM 629 CB GLU A 38 -5.380 4.247 2.324 1.00 0.00 C ATOM 630 CG GLU A 38 -5.902 4.095 3.760 1.00 0.00 C ATOM 631 CD GLU A 38 -7.378 3.648 3.843 1.00 0.00 C ATOM 632 OE1 GLU A 38 -8.261 4.330 3.269 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.662 2.638 4.531 1.00 0.00 O ATOM 0 H GLU A 38 -4.222 4.188 0.141 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.404 2.311 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.521 4.918 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.152 4.725 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.282 3.369 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.791 5.047 4.280 1.00 0.00 H new ATOM 640 N LYS A 39 -6.995 2.592 0.265 1.00 0.00 N ATOM 641 CA LYS A 39 -8.156 1.862 -0.311 1.00 0.00 C ATOM 642 C LYS A 39 -7.753 0.467 -0.795 1.00 0.00 C ATOM 643 O LYS A 39 -8.447 -0.523 -0.572 1.00 0.00 O ATOM 644 CB LYS A 39 -8.765 2.636 -1.496 1.00 0.00 C ATOM 645 CG LYS A 39 -9.759 3.745 -1.134 1.00 0.00 C ATOM 646 CD LYS A 39 -9.116 4.979 -0.485 1.00 0.00 C ATOM 647 CE LYS A 39 -10.127 6.124 -0.327 1.00 0.00 C ATOM 648 NZ LYS A 39 -11.194 5.804 0.658 1.00 0.00 N ATOM 0 H LYS A 39 -6.848 3.510 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.895 1.769 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.952 3.078 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.268 1.923 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.284 4.056 -2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.507 3.339 -0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.714 4.710 0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.276 5.315 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.604 7.027 -0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.581 6.340 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.852 6.606 0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.712 4.958 0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.765 5.623 1.588 1.00 0.00 H new ATOM 662 N HIS A 40 -6.567 0.413 -1.390 1.00 0.00 N ATOM 663 CA HIS A 40 -5.829 -0.758 -1.866 1.00 0.00 C ATOM 664 C HIS A 40 -5.518 -1.855 -0.833 1.00 0.00 C ATOM 665 O HIS A 40 -5.006 -2.891 -1.245 1.00 0.00 O ATOM 666 CB HIS A 40 -4.502 -0.227 -2.403 1.00 0.00 C ATOM 667 CG HIS A 40 -4.489 0.261 -3.825 1.00 0.00 C ATOM 668 ND1 HIS A 40 -3.368 0.242 -4.672 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.504 0.937 -4.435 1.00 0.00 C ATOM 670 CE1 HIS A 40 -3.751 0.944 -5.762 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.021 1.359 -5.645 1.00 0.00 N ATOM 0 H HIS A 40 -6.045 1.270 -1.570 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.471 -1.250 -2.596 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.180 0.592 -1.760 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.758 -1.018 -2.309 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.466 -0.203 -4.502 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.495 1.107 -4.041 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.118 1.144 -6.614 1.00 0.00 H new ATOM 679 N ILE A 41 -5.803 -1.667 0.462 1.00 0.00 N ATOM 680 CA ILE A 41 -5.638 -2.677 1.526 1.00 0.00 C ATOM 681 C ILE A 41 -7.017 -3.142 2.028 1.00 0.00 C ATOM 682 O ILE A 41 -7.213 -4.336 2.258 1.00 0.00 O ATOM 683 CB ILE A 41 -4.802 -2.119 2.708 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.384 -1.641 2.324 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.698 -3.135 3.860 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.423 -2.699 1.767 1.00 0.00 C ATOM 0 H ILE A 41 -6.167 -0.781 0.814 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.101 -3.527 1.105 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.356 -1.238 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.482 -0.848 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.925 -1.197 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.105 -2.708 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.696 -3.372 4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.218 -4.045 3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.464 -2.235 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.278 -3.485 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.844 -3.130 0.859 1.00 0.00 H new ATOM 698 N GLU A 42 -8.005 -2.241 2.133 1.00 0.00 N ATOM 699 CA GLU A 42 -9.400 -2.637 2.381 1.00 0.00 C ATOM 700 C GLU A 42 -9.939 -3.506 1.241 1.00 0.00 C ATOM 701 O GLU A 42 -10.399 -4.621 1.489 1.00 0.00 O ATOM 702 CB GLU A 42 -10.323 -1.420 2.568 1.00 0.00 C ATOM 703 CG GLU A 42 -10.329 -0.896 4.009 1.00 0.00 C ATOM 704 CD GLU A 42 -11.560 -0.001 4.256 1.00 0.00 C ATOM 705 OE1 GLU A 42 -12.636 -0.536 4.628 1.00 0.00 O ATOM 706 OE2 GLU A 42 -11.476 1.239 4.083 1.00 0.00 O ATOM 0 H GLU A 42 -7.864 -1.234 2.050 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.396 -3.213 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.005 -0.622 1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.339 -1.692 2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.336 -1.734 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.417 -0.330 4.200 1.00 0.00 H new ATOM 713 N TRP A 43 -9.834 -3.043 -0.009 1.00 0.00 N ATOM 714 CA TRP A 43 -10.240 -3.815 -1.189 1.00 0.00 C ATOM 715 C TRP A 43 -9.463 -5.132 -1.315 1.00 0.00 C ATOM 716 O TRP A 43 -10.033 -6.139 -1.733 1.00 0.00 O ATOM 717 CB TRP A 43 -10.078 -2.953 -2.451 1.00 0.00 C ATOM 718 CG TRP A 43 -10.926 -1.714 -2.534 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.134 -1.535 -1.946 1.00 0.00 C ATOM 720 CD2 TRP A 43 -10.674 -0.485 -3.291 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.641 -0.295 -2.280 1.00 0.00 N ATOM 722 CE2 TRP A 43 -11.793 0.387 -3.124 1.00 0.00 C ATOM 723 CE3 TRP A 43 -9.630 -0.027 -4.129 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -11.876 1.638 -3.753 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -9.705 1.226 -4.771 1.00 0.00 C ATOM 726 CH2 TRP A 43 -10.824 2.058 -4.583 1.00 0.00 C ATOM 0 H TRP A 43 -9.464 -2.119 -0.232 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.290 -4.085 -1.072 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.032 -2.656 -2.528 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.298 -3.575 -3.319 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.627 -2.256 -1.310 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.532 0.070 -1.944 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.760 -0.649 -4.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.738 2.270 -3.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.898 1.549 -5.412 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.874 3.018 -5.076 1.00 0.00 H new ATOM 737 N LEU A 44 -8.194 -5.144 -0.892 1.00 0.00 N ATOM 738 CA LEU A 44 -7.306 -6.313 -0.899 1.00 0.00 C ATOM 739 C LEU A 44 -7.916 -7.515 -0.164 1.00 0.00 C ATOM 740 O LEU A 44 -8.096 -8.592 -0.732 1.00 0.00 O ATOM 741 CB LEU A 44 -5.993 -5.882 -0.222 1.00 0.00 C ATOM 742 CG LEU A 44 -4.712 -6.459 -0.806 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.495 -5.891 -0.095 1.00 0.00 C ATOM 744 CD2 LEU A 44 -4.704 -7.975 -0.764 1.00 0.00 C ATOM 0 H LEU A 44 -7.740 -4.309 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.140 -6.639 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.928 -4.795 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.044 -6.159 0.831 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.669 -6.165 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.589 -6.316 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.478 -4.807 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.543 -6.141 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.772 -8.346 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.789 -8.311 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.545 -8.359 -1.341 1.00 0.00 H new ATOM 756 N GLU A 45 -8.257 -7.300 1.106 1.00 0.00 N ATOM 757 CA GLU A 45 -8.825 -8.322 1.992 1.00 0.00 C ATOM 758 C GLU A 45 -10.334 -8.510 1.773 1.00 0.00 C ATOM 759 O GLU A 45 -10.856 -9.613 1.917 1.00 0.00 O ATOM 760 CB GLU A 45 -8.556 -7.921 3.450 1.00 0.00 C ATOM 761 CG GLU A 45 -8.451 -9.121 4.405 1.00 0.00 C ATOM 762 CD GLU A 45 -7.032 -9.730 4.450 1.00 0.00 C ATOM 763 OE1 GLU A 45 -6.539 -10.243 3.419 1.00 0.00 O ATOM 764 OE2 GLU A 45 -6.408 -9.719 5.541 1.00 0.00 O ATOM 0 H GLU A 45 -8.145 -6.393 1.559 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.347 -9.274 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.630 -7.348 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.356 -7.264 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.738 -8.807 5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.161 -9.888 4.096 1.00 0.00 H new ATOM 771 N THR A 46 -11.057 -7.455 1.384 1.00 0.00 N ATOM 772 CA THR A 46 -12.493 -7.548 1.033 1.00 0.00 C ATOM 773 C THR A 46 -12.732 -8.498 -0.149 1.00 0.00 C ATOM 774 O THR A 46 -13.710 -9.248 -0.159 1.00 0.00 O ATOM 775 CB THR A 46 -13.101 -6.165 0.747 1.00 0.00 C ATOM 776 OG1 THR A 46 -12.979 -5.341 1.885 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.593 -6.202 0.417 1.00 0.00 C ATOM 0 H THR A 46 -10.673 -6.514 1.301 1.00 0.00 H new ATOM 0 HA THR A 46 -13.000 -7.964 1.904 1.00 0.00 H new ATOM 0 HB THR A 46 -12.552 -5.788 -0.116 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.127 -4.857 1.849 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.949 -5.189 0.228 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.754 -6.815 -0.470 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.141 -6.628 1.257 1.00 0.00 H new ATOM 785 N ILE A 47 -11.807 -8.543 -1.115 1.00 0.00 N ATOM 786 CA ILE A 47 -11.825 -9.459 -2.271 1.00 0.00 C ATOM 787 C ILE A 47 -11.778 -10.967 -1.936 1.00 0.00 C ATOM 788 O ILE A 47 -12.057 -11.808 -2.794 1.00 0.00 O ATOM 789 CB ILE A 47 -10.772 -8.975 -3.310 1.00 0.00 C ATOM 790 CG1 ILE A 47 -11.314 -7.819 -4.183 1.00 0.00 C ATOM 791 CG2 ILE A 47 -10.170 -10.056 -4.215 1.00 0.00 C ATOM 792 CD1 ILE A 47 -12.474 -8.178 -5.123 1.00 0.00 C ATOM 0 H ILE A 47 -10.997 -7.924 -1.117 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.813 -9.399 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.953 -8.628 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.641 -7.014 -3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.493 -7.427 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.451 -9.601 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.667 -10.804 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.964 -10.532 -4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.773 -7.294 -5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.154 -8.957 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.319 -8.538 -4.537 1.00 0.00 H new ATOM 804 N ASN A 48 -11.552 -11.334 -0.675 1.00 0.00 N ATOM 805 CA ASN A 48 -11.758 -12.700 -0.177 1.00 0.00 C ATOM 806 C ASN A 48 -13.228 -13.176 -0.244 1.00 0.00 C ATOM 807 O ASN A 48 -13.481 -14.385 -0.240 1.00 0.00 O ATOM 808 CB ASN A 48 -11.214 -12.804 1.257 1.00 0.00 C ATOM 809 CG ASN A 48 -9.704 -12.962 1.322 1.00 0.00 C ATOM 810 OD1 ASN A 48 -8.944 -12.007 1.334 1.00 0.00 O ATOM 811 ND2 ASN A 48 -9.215 -14.182 1.377 1.00 0.00 N ATOM 0 H ASN A 48 -11.217 -10.687 0.039 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.208 -13.368 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.502 -11.911 1.812 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.682 -13.654 1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.206 -14.325 1.429 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.844 -14.985 1.367 1.00 0.00 H new ATOM 858 N TYR B 3 15.509 5.662 -2.711 1.00 0.00 N ATOM 859 CA TYR B 3 14.263 5.036 -2.220 1.00 0.00 C ATOM 860 C TYR B 3 13.303 4.697 -3.368 1.00 0.00 C ATOM 861 O TYR B 3 12.886 3.547 -3.504 1.00 0.00 O ATOM 862 CB TYR B 3 13.572 5.944 -1.179 1.00 0.00 C ATOM 863 CG TYR B 3 13.137 7.315 -1.684 1.00 0.00 C ATOM 864 CD1 TYR B 3 14.096 8.332 -1.847 1.00 0.00 C ATOM 865 CD2 TYR B 3 11.796 7.565 -2.036 1.00 0.00 C ATOM 866 CE1 TYR B 3 13.730 9.583 -2.383 1.00 0.00 C ATOM 867 CE2 TYR B 3 11.422 8.812 -2.575 1.00 0.00 C ATOM 868 CZ TYR B 3 12.388 9.826 -2.749 1.00 0.00 C ATOM 869 OH TYR B 3 12.025 11.031 -3.265 1.00 0.00 O ATOM 0 HA TYR B 3 14.536 4.098 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR B 3 12.695 5.423 -0.795 1.00 0.00 H new ATOM 0 HB3 TYR B 3 14.252 6.085 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR B 3 15.121 8.152 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR B 3 11.051 6.797 -1.892 1.00 0.00 H new ATOM 0 HE1 TYR B 3 14.475 10.354 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR B 3 10.395 8.992 -2.855 1.00 0.00 H new ATOM 0 HH TYR B 3 11.065 11.026 -3.463 1.00 0.00 H new ATOM 879 N LEU B 4 13.012 5.670 -4.242 1.00 0.00 N ATOM 880 CA LEU B 4 12.118 5.592 -5.401 1.00 0.00 C ATOM 881 C LEU B 4 12.340 4.381 -6.326 1.00 0.00 C ATOM 882 O LEU B 4 11.397 3.903 -6.953 1.00 0.00 O ATOM 883 CB LEU B 4 12.198 6.946 -6.121 1.00 0.00 C ATOM 884 CG LEU B 4 13.592 7.292 -6.678 1.00 0.00 C ATOM 885 CD1 LEU B 4 13.692 7.059 -8.185 1.00 0.00 C ATOM 886 CD2 LEU B 4 13.946 8.744 -6.370 1.00 0.00 C ATOM 0 H LEU B 4 13.426 6.598 -4.149 1.00 0.00 H new ATOM 0 HA LEU B 4 11.103 5.405 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.481 6.949 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU B 4 11.893 7.730 -5.428 1.00 0.00 H new ATOM 0 HG LEU B 4 14.299 6.624 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU B 4 14.694 7.318 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU B 4 13.493 6.010 -8.405 1.00 0.00 H new ATOM 0 HD13 LEU B 4 12.960 7.683 -8.699 1.00 0.00 H new ATOM 0 HD21 LEU B 4 14.934 8.971 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU B 4 13.209 9.403 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU B 4 13.949 8.897 -5.291 1.00 0.00 H new ATOM 898 N ARG B 5 13.567 3.854 -6.369 1.00 0.00 N ATOM 899 CA ARG B 5 13.980 2.673 -7.142 1.00 0.00 C ATOM 900 C ARG B 5 13.433 1.355 -6.579 1.00 0.00 C ATOM 901 O ARG B 5 12.995 0.511 -7.359 1.00 0.00 O ATOM 902 CB ARG B 5 15.517 2.715 -7.199 1.00 0.00 C ATOM 903 CG ARG B 5 16.161 1.824 -8.268 1.00 0.00 C ATOM 904 CD ARG B 5 17.623 2.269 -8.440 1.00 0.00 C ATOM 905 NE ARG B 5 18.354 1.483 -9.456 1.00 0.00 N ATOM 906 CZ ARG B 5 19.373 1.906 -10.189 1.00 0.00 C ATOM 907 NH1 ARG B 5 19.836 3.123 -10.107 1.00 0.00 N ATOM 908 NH2 ARG B 5 19.964 1.106 -11.030 1.00 0.00 N ATOM 0 H ARG B 5 14.340 4.258 -5.840 1.00 0.00 H new ATOM 0 HA ARG B 5 13.556 2.707 -8.146 1.00 0.00 H new ATOM 0 HB2 ARG B 5 15.829 3.745 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG B 5 15.908 2.424 -6.224 1.00 0.00 H new ATOM 0 HG2 ARG B 5 16.114 0.777 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG B 5 15.623 1.911 -9.212 1.00 0.00 H new ATOM 0 HD2 ARG B 5 17.645 3.322 -8.719 1.00 0.00 H new ATOM 0 HD3 ARG B 5 18.138 2.182 -7.483 1.00 0.00 H new ATOM 0 HE ARG B 5 18.044 0.523 -9.607 1.00 0.00 H new ATOM 0 HH11 ARG B 5 19.411 3.788 -9.461 1.00 0.00 H new ATOM 0 HH12 ARG B 5 20.623 3.410 -10.689 1.00 0.00 H new ATOM 0 HH21 ARG B 5 19.643 0.143 -11.129 1.00 0.00 H new ATOM 0 HH22 ARG B 5 20.748 1.443 -11.589 1.00 0.00 H new ATOM 922 N GLU B 6 13.363 1.192 -5.253 1.00 0.00 N ATOM 923 CA GLU B 6 12.630 0.108 -4.614 1.00 0.00 C ATOM 924 C GLU B 6 11.130 0.217 -4.882 1.00 0.00 C ATOM 925 O GLU B 6 10.520 -0.773 -5.268 1.00 0.00 O ATOM 926 CB GLU B 6 12.885 0.139 -3.095 1.00 0.00 C ATOM 927 CG GLU B 6 13.868 -0.941 -2.640 1.00 0.00 C ATOM 928 CD GLU B 6 13.509 -1.478 -1.240 1.00 0.00 C ATOM 929 OE1 GLU B 6 13.986 -0.915 -0.225 1.00 0.00 O ATOM 930 OE2 GLU B 6 12.759 -2.480 -1.148 1.00 0.00 O ATOM 0 H GLU B 6 13.821 1.819 -4.592 1.00 0.00 H new ATOM 0 HA GLU B 6 12.983 -0.834 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.273 1.119 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU B 6 11.939 0.009 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU B 6 13.866 -1.762 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU B 6 14.878 -0.532 -2.626 1.00 0.00 H new ATOM 937 N LEU B 7 10.536 1.409 -4.744 1.00 0.00 N ATOM 938 CA LEU B 7 9.118 1.632 -5.051 1.00 0.00 C ATOM 939 C LEU B 7 8.780 1.263 -6.495 1.00 0.00 C ATOM 940 O LEU B 7 7.782 0.601 -6.744 1.00 0.00 O ATOM 941 CB LEU B 7 8.750 3.088 -4.781 1.00 0.00 C ATOM 942 CG LEU B 7 8.757 3.449 -3.293 1.00 0.00 C ATOM 943 CD1 LEU B 7 9.592 4.685 -2.988 1.00 0.00 C ATOM 944 CD2 LEU B 7 7.350 3.791 -2.842 1.00 0.00 C ATOM 0 H LEU B 7 11.023 2.243 -4.417 1.00 0.00 H new ATOM 0 HA LEU B 7 8.533 0.981 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.450 3.736 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.760 3.287 -5.191 1.00 0.00 H new ATOM 0 HG LEU B 7 9.172 2.582 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU B 7 9.559 4.892 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU B 7 10.624 4.511 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU B 7 9.192 5.539 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.360 4.047 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.980 4.640 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU B 7 6.698 2.932 -3.002 1.00 0.00 H new ATOM 956 N TYR B 8 9.636 1.631 -7.445 1.00 0.00 N ATOM 957 CA TYR B 8 9.524 1.202 -8.846 1.00 0.00 C ATOM 958 C TYR B 8 9.504 -0.329 -8.980 1.00 0.00 C ATOM 959 O TYR B 8 8.560 -0.904 -9.523 1.00 0.00 O ATOM 960 CB TYR B 8 10.687 1.815 -9.638 1.00 0.00 C ATOM 961 CG TYR B 8 10.378 2.182 -11.077 1.00 0.00 C ATOM 962 CD1 TYR B 8 9.454 3.211 -11.351 1.00 0.00 C ATOM 963 CD2 TYR B 8 11.049 1.542 -12.138 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.197 3.596 -12.681 1.00 0.00 C ATOM 965 CE2 TYR B 8 10.800 1.931 -13.469 1.00 0.00 C ATOM 966 CZ TYR B 8 9.871 2.958 -13.746 1.00 0.00 C ATOM 967 OH TYR B 8 9.638 3.329 -15.035 1.00 0.00 O ATOM 0 H TYR B 8 10.435 2.240 -7.268 1.00 0.00 H new ATOM 0 HA TYR B 8 8.575 1.554 -9.251 1.00 0.00 H new ATOM 0 HB2 TYR B 8 11.025 2.711 -9.118 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.519 1.110 -9.632 1.00 0.00 H new ATOM 0 HD1 TYR B 8 8.942 3.705 -10.539 1.00 0.00 H new ATOM 0 HD2 TYR B 8 11.755 0.752 -11.931 1.00 0.00 H new ATOM 0 HE1 TYR B 8 8.484 4.380 -12.887 1.00 0.00 H new ATOM 0 HE2 TYR B 8 11.321 1.443 -14.279 1.00 0.00 H new ATOM 0 HH TYR B 8 10.188 2.785 -15.636 1.00 0.00 H new ATOM 977 N LYS B 9 10.495 -0.988 -8.369 1.00 0.00 N ATOM 978 CA LYS B 9 10.571 -2.455 -8.182 1.00 0.00 C ATOM 979 C LYS B 9 9.562 -3.042 -7.160 1.00 0.00 C ATOM 980 O LYS B 9 9.690 -4.206 -6.774 1.00 0.00 O ATOM 981 CB LYS B 9 12.029 -2.882 -7.886 1.00 0.00 C ATOM 982 CG LYS B 9 12.872 -3.108 -9.154 1.00 0.00 C ATOM 983 CD LYS B 9 13.512 -1.843 -9.742 1.00 0.00 C ATOM 984 CE LYS B 9 14.299 -2.233 -11.001 1.00 0.00 C ATOM 985 NZ LYS B 9 15.194 -1.141 -11.466 1.00 0.00 N ATOM 0 H LYS B 9 11.300 -0.503 -7.974 1.00 0.00 H new ATOM 0 HA LYS B 9 10.257 -2.895 -9.128 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.506 -2.117 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.018 -3.800 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.662 -3.823 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.240 -3.565 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.744 -1.110 -9.988 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.174 -1.379 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.893 -3.124 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.601 -2.492 -11.797 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.705 -1.450 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.627 -0.298 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.878 -0.910 -10.717 1.00 0.00 H new ATOM 999 N LEU B 10 8.518 -2.299 -6.777 1.00 0.00 N ATOM 1000 CA LEU B 10 7.362 -2.782 -6.007 1.00 0.00 C ATOM 1001 C LEU B 10 6.036 -2.476 -6.724 1.00 0.00 C ATOM 1002 O LEU B 10 5.158 -3.331 -6.744 1.00 0.00 O ATOM 1003 CB LEU B 10 7.360 -2.153 -4.596 1.00 0.00 C ATOM 1004 CG LEU B 10 8.465 -2.637 -3.633 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.546 -1.697 -2.427 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.199 -4.043 -3.106 1.00 0.00 C ATOM 0 H LEU B 10 8.451 -1.307 -7.002 1.00 0.00 H new ATOM 0 HA LEU B 10 7.452 -3.865 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.448 -1.072 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.393 -2.350 -4.134 1.00 0.00 H new ATOM 0 HG LEU B 10 9.396 -2.643 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.327 -2.041 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.780 -0.688 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.589 -1.691 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU B 10 9.004 -4.338 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.252 -4.056 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.150 -4.742 -3.941 1.00 0.00 H new ATOM 1018 N GLU B 11 5.885 -1.309 -7.356 1.00 0.00 N ATOM 1019 CA GLU B 11 4.649 -0.881 -8.028 1.00 0.00 C ATOM 1020 C GLU B 11 4.491 -1.576 -9.387 1.00 0.00 C ATOM 1021 O GLU B 11 3.474 -2.216 -9.646 1.00 0.00 O ATOM 1022 CB GLU B 11 4.684 0.648 -8.216 1.00 0.00 C ATOM 1023 CG GLU B 11 4.584 1.436 -6.899 1.00 0.00 C ATOM 1024 CD GLU B 11 3.139 1.776 -6.539 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.498 2.760 -6.953 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.393 1.132 -5.784 1.00 0.00 O ATOM 0 H GLU B 11 6.633 -0.618 -7.418 1.00 0.00 H new ATOM 0 HA GLU B 11 3.796 -1.160 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.609 0.922 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU B 11 3.863 0.944 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.030 0.852 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.162 2.356 -6.983 1.00 0.00 H new ATOM 1033 N GLN B 12 5.520 -1.522 -10.236 1.00 0.00 N ATOM 1034 CA GLN B 12 5.598 -2.281 -11.489 1.00 0.00 C ATOM 1035 C GLN B 12 5.674 -3.800 -11.266 1.00 0.00 C ATOM 1036 O GLN B 12 5.057 -4.572 -12.002 1.00 0.00 O ATOM 1037 CB GLN B 12 6.809 -1.780 -12.292 1.00 0.00 C ATOM 1038 CG GLN B 12 6.387 -1.260 -13.665 1.00 0.00 C ATOM 1039 CD GLN B 12 6.094 -2.350 -14.697 1.00 0.00 C ATOM 1040 OE1 GLN B 12 6.789 -3.351 -14.818 1.00 0.00 O ATOM 1041 NE2 GLN B 12 5.055 -2.199 -15.494 1.00 0.00 N ATOM 0 H GLN B 12 6.339 -0.938 -10.069 1.00 0.00 H new ATOM 0 HA GLN B 12 4.678 -2.111 -12.048 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.312 -0.987 -11.739 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.528 -2.590 -12.413 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.497 -0.642 -13.547 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.175 -0.614 -14.052 1.00 0.00 H new ATOM 0 HE21 GLN B 12 4.463 -1.372 -15.410 1.00 0.00 H new ATOM 0 HE22 GLN B 12 4.843 -2.909 -16.195 1.00 0.00 H new ATOM 1050 N GLN B 13 6.379 -4.239 -10.217 1.00 0.00 N ATOM 1051 CA GLN B 13 6.406 -5.643 -9.793 1.00 0.00 C ATOM 1052 C GLN B 13 5.013 -6.146 -9.377 1.00 0.00 C ATOM 1053 O GLN B 13 4.577 -7.204 -9.836 1.00 0.00 O ATOM 1054 CB GLN B 13 7.451 -5.819 -8.691 1.00 0.00 C ATOM 1055 CG GLN B 13 8.505 -6.888 -9.017 1.00 0.00 C ATOM 1056 CD GLN B 13 7.977 -8.325 -8.961 1.00 0.00 C ATOM 1057 OE1 GLN B 13 7.115 -8.683 -8.169 1.00 0.00 O ATOM 1058 NE2 GLN B 13 8.479 -9.215 -9.793 1.00 0.00 N ATOM 0 H GLN B 13 6.950 -3.626 -9.635 1.00 0.00 H new ATOM 0 HA GLN B 13 6.696 -6.264 -10.640 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.951 -4.866 -8.519 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.948 -6.087 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN B 13 8.904 -6.698 -10.013 1.00 0.00 H new ATOM 0 HG3 GLN B 13 9.335 -6.790 -8.317 1.00 0.00 H new ATOM 0 HE21 GLN B 13 9.198 -8.939 -10.462 1.00 0.00 H new ATOM 0 HE22 GLN B 13 8.148 -10.180 -9.768 1.00 0.00 H new ATOM 1067 N ALA B 14 4.268 -5.351 -8.599 1.00 0.00 N ATOM 1068 CA ALA B 14 2.860 -5.607 -8.320 1.00 0.00 C ATOM 1069 C ALA B 14 2.010 -5.578 -9.599 1.00 0.00 C ATOM 1070 O ALA B 14 1.170 -6.453 -9.762 1.00 0.00 O ATOM 1071 CB ALA B 14 2.333 -4.607 -7.282 1.00 0.00 C ATOM 0 H ALA B 14 4.631 -4.512 -8.147 1.00 0.00 H new ATOM 0 HA ALA B 14 2.778 -6.612 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.281 -4.810 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.903 -4.707 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.441 -3.593 -7.666 1.00 0.00 H new ATOM 1077 N MET B 15 2.219 -4.630 -10.524 1.00 0.00 N ATOM 1078 CA MET B 15 1.408 -4.469 -11.745 1.00 0.00 C ATOM 1079 C MET B 15 1.300 -5.748 -12.594 1.00 0.00 C ATOM 1080 O MET B 15 0.203 -6.080 -13.051 1.00 0.00 O ATOM 1081 CB MET B 15 1.936 -3.287 -12.575 1.00 0.00 C ATOM 1082 CG MET B 15 1.074 -2.988 -13.812 1.00 0.00 C ATOM 1083 SD MET B 15 0.590 -1.254 -14.002 1.00 0.00 S ATOM 1084 CE MET B 15 -0.664 -1.184 -12.695 1.00 0.00 C ATOM 0 H MET B 15 2.968 -3.941 -10.446 1.00 0.00 H new ATOM 0 HA MET B 15 0.390 -4.257 -11.419 1.00 0.00 H new ATOM 0 HB2 MET B 15 1.978 -2.398 -11.945 1.00 0.00 H new ATOM 0 HB3 MET B 15 2.956 -3.501 -12.893 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.622 -3.297 -14.702 1.00 0.00 H new ATOM 0 HG3 MET B 15 0.172 -3.599 -13.765 1.00 0.00 H new ATOM 0 HE1 MET B 15 -1.211 -0.244 -12.766 1.00 0.00 H new ATOM 0 HE2 MET B 15 -1.357 -2.017 -12.811 1.00 0.00 H new ATOM 0 HE3 MET B 15 -0.179 -1.249 -11.721 1.00 0.00 H new ATOM 1094 N LYS B 16 2.393 -6.512 -12.747 1.00 0.00 N ATOM 1095 CA LYS B 16 2.378 -7.835 -13.402 1.00 0.00 C ATOM 1096 C LYS B 16 1.348 -8.783 -12.776 1.00 0.00 C ATOM 1097 O LYS B 16 0.515 -9.356 -13.475 1.00 0.00 O ATOM 1098 CB LYS B 16 3.788 -8.461 -13.365 1.00 0.00 C ATOM 1099 CG LYS B 16 4.431 -8.442 -14.756 1.00 0.00 C ATOM 1100 CD LYS B 16 5.821 -9.092 -14.721 1.00 0.00 C ATOM 1101 CE LYS B 16 6.466 -9.109 -16.113 1.00 0.00 C ATOM 1102 NZ LYS B 16 5.947 -10.209 -16.971 1.00 0.00 N ATOM 0 H LYS B 16 3.317 -6.231 -12.419 1.00 0.00 H new ATOM 0 HA LYS B 16 2.079 -7.684 -14.439 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.415 -7.913 -12.662 1.00 0.00 H new ATOM 0 HB3 LYS B 16 3.725 -9.487 -13.003 1.00 0.00 H new ATOM 0 HG2 LYS B 16 3.794 -8.972 -15.464 1.00 0.00 H new ATOM 0 HG3 LYS B 16 4.514 -7.414 -15.110 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.462 -8.547 -14.028 1.00 0.00 H new ATOM 0 HD3 LYS B 16 5.738 -10.111 -14.344 1.00 0.00 H new ATOM 0 HE2 LYS B 16 6.285 -8.153 -16.605 1.00 0.00 H new ATOM 0 HE3 LYS B 16 7.546 -9.214 -16.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 6.415 -10.175 -17.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 6.142 -11.124 -16.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 4.921 -10.097 -17.096 1.00 0.00 H new ATOM 1116 N LEU B 17 1.377 -8.907 -11.451 1.00 0.00 N ATOM 1117 CA LEU B 17 0.517 -9.782 -10.660 1.00 0.00 C ATOM 1118 C LEU B 17 -0.910 -9.259 -10.585 1.00 0.00 C ATOM 1119 O LEU B 17 -1.862 -10.029 -10.661 1.00 0.00 O ATOM 1120 CB LEU B 17 1.092 -9.834 -9.240 1.00 0.00 C ATOM 1121 CG LEU B 17 2.493 -10.440 -9.205 1.00 0.00 C ATOM 1122 CD1 LEU B 17 3.180 -10.066 -7.897 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.445 -11.959 -9.371 1.00 0.00 C ATOM 0 H LEU B 17 2.030 -8.376 -10.874 1.00 0.00 H new ATOM 0 HA LEU B 17 0.488 -10.765 -11.129 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.124 -8.826 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.429 -10.420 -8.603 1.00 0.00 H new ATOM 0 HG LEU B 17 3.065 -10.036 -10.040 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.180 -10.500 -7.874 1.00 0.00 H new ATOM 0 HD12 LEU B 17 3.253 -8.981 -7.822 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.599 -10.449 -7.058 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.458 -12.360 -9.342 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.858 -12.395 -8.562 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.984 -12.206 -10.327 1.00 0.00 H new ATOM 1135 N TYR B 18 -1.041 -7.941 -10.477 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.304 -7.223 -10.446 1.00 0.00 C ATOM 1137 C TYR B 18 -3.131 -7.529 -11.692 1.00 0.00 C ATOM 1138 O TYR B 18 -4.324 -7.812 -11.559 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.032 -5.715 -10.346 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.166 -5.077 -8.979 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.363 -5.227 -8.253 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.137 -4.257 -8.475 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.515 -4.598 -7.005 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.283 -3.626 -7.227 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.468 -3.803 -6.487 1.00 0.00 C ATOM 1146 OH TYR B 18 -2.598 -3.190 -5.284 1.00 0.00 O ATOM 0 H TYR B 18 -0.234 -7.321 -10.406 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.873 -7.547 -9.575 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.021 -5.529 -10.708 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.713 -5.203 -11.026 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.166 -5.826 -8.656 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.234 -4.113 -9.049 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.429 -4.722 -6.444 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.488 -3.007 -6.837 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.221 -2.287 -5.335 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.522 -7.536 -12.895 1.00 0.00 N ATOM 1157 CA ARG B 19 -3.291 -7.863 -14.106 1.00 0.00 C ATOM 1158 C ARG B 19 -3.586 -9.360 -14.196 1.00 0.00 C ATOM 1159 O ARG B 19 -4.691 -9.733 -14.580 1.00 0.00 O ATOM 1160 CB ARG B 19 -2.651 -7.296 -15.386 1.00 0.00 C ATOM 1161 CG ARG B 19 -1.305 -7.922 -15.777 1.00 0.00 C ATOM 1162 CD ARG B 19 -0.940 -7.611 -17.231 1.00 0.00 C ATOM 1163 NE ARG B 19 0.225 -8.419 -17.642 1.00 0.00 N ATOM 1164 CZ ARG B 19 0.339 -9.180 -18.718 1.00 0.00 C ATOM 1165 NH1 ARG B 19 -0.567 -9.219 -19.653 1.00 0.00 N ATOM 1166 NH2 ARG B 19 1.390 -9.932 -18.875 1.00 0.00 N ATOM 0 H ARG B 19 -1.536 -7.327 -13.050 1.00 0.00 H new ATOM 0 HA ARG B 19 -4.254 -7.360 -14.019 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -3.349 -7.430 -16.212 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -2.511 -6.223 -15.258 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.523 -7.547 -15.117 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -1.351 -9.002 -15.636 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -1.788 -7.824 -17.881 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -0.714 -6.550 -17.339 1.00 0.00 H new ATOM 0 HE ARG B 19 1.036 -8.387 -17.025 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -1.408 -8.647 -19.573 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -0.436 -9.822 -20.465 1.00 0.00 H new ATOM 0 HH21 ARG B 19 2.126 -9.934 -18.168 1.00 0.00 H new ATOM 0 HH22 ARG B 19 1.478 -10.519 -19.705 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.655 -10.216 -13.765 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.804 -11.674 -13.820 1.00 0.00 C ATOM 1182 C GLU B 20 -3.951 -12.152 -12.918 1.00 0.00 C ATOM 1183 O GLU B 20 -4.823 -12.916 -13.333 1.00 0.00 O ATOM 1184 CB GLU B 20 -1.479 -12.303 -13.363 1.00 0.00 C ATOM 1185 CG GLU B 20 -1.206 -13.681 -13.974 1.00 0.00 C ATOM 1186 CD GLU B 20 -0.796 -13.579 -15.458 1.00 0.00 C ATOM 1187 OE1 GLU B 20 0.410 -13.384 -15.748 1.00 0.00 O ATOM 1188 OE2 GLU B 20 -1.675 -13.711 -16.344 1.00 0.00 O ATOM 0 H GLU B 20 -1.767 -9.914 -13.364 1.00 0.00 H new ATOM 0 HA GLU B 20 -3.044 -11.976 -14.839 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.660 -11.632 -13.623 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.485 -12.392 -12.277 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -0.415 -14.178 -13.412 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -2.098 -14.301 -13.885 1.00 0.00 H new ATOM 1195 N ALA B 21 -3.968 -11.632 -11.690 1.00 0.00 N ATOM 1196 CA ALA B 21 -5.031 -11.826 -10.712 1.00 0.00 C ATOM 1197 C ALA B 21 -6.374 -11.257 -11.201 1.00 0.00 C ATOM 1198 O ALA B 21 -7.377 -11.967 -11.161 1.00 0.00 O ATOM 1199 CB ALA B 21 -4.602 -11.191 -9.383 1.00 0.00 C ATOM 0 H ALA B 21 -3.213 -11.043 -11.340 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.190 -12.895 -10.569 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -5.390 -11.330 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.686 -11.666 -9.032 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -4.425 -10.125 -9.529 1.00 0.00 H new ATOM 1205 N SER B 22 -6.410 -10.022 -11.720 1.00 0.00 N ATOM 1206 CA SER B 22 -7.640 -9.413 -12.259 1.00 0.00 C ATOM 1207 C SER B 22 -8.258 -10.243 -13.388 1.00 0.00 C ATOM 1208 O SER B 22 -9.453 -10.528 -13.381 1.00 0.00 O ATOM 1209 CB SER B 22 -7.352 -8.011 -12.795 1.00 0.00 C ATOM 1210 OG SER B 22 -8.554 -7.266 -12.861 1.00 0.00 O ATOM 0 H SER B 22 -5.591 -9.416 -11.779 1.00 0.00 H new ATOM 0 HA SER B 22 -8.349 -9.370 -11.432 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.635 -7.505 -12.149 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.899 -8.076 -13.784 1.00 0.00 H new ATOM 0 HG SER B 22 -8.364 -6.368 -13.203 1.00 0.00 H new ATOM 1216 N GLU B 23 -7.426 -10.697 -14.326 1.00 0.00 N ATOM 1217 CA GLU B 23 -7.829 -11.558 -15.452 1.00 0.00 C ATOM 1218 C GLU B 23 -8.371 -12.945 -15.034 1.00 0.00 C ATOM 1219 O GLU B 23 -9.117 -13.558 -15.804 1.00 0.00 O ATOM 1220 CB GLU B 23 -6.663 -11.703 -16.448 1.00 0.00 C ATOM 1221 CG GLU B 23 -6.467 -10.429 -17.286 1.00 0.00 C ATOM 1222 CD GLU B 23 -5.275 -10.560 -18.258 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -5.359 -11.367 -19.217 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -4.263 -9.834 -18.101 1.00 0.00 O ATOM 0 H GLU B 23 -6.430 -10.475 -14.329 1.00 0.00 H new ATOM 0 HA GLU B 23 -8.669 -11.056 -15.931 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -5.745 -11.925 -15.904 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -6.853 -12.548 -17.110 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.376 -10.222 -17.851 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -6.304 -9.579 -16.623 1.00 0.00 H new ATOM 1231 N ARG B 24 -8.060 -13.431 -13.822 1.00 0.00 N ATOM 1232 CA ARG B 24 -8.661 -14.646 -13.227 1.00 0.00 C ATOM 1233 C ARG B 24 -9.910 -14.342 -12.385 1.00 0.00 C ATOM 1234 O ARG B 24 -10.905 -15.063 -12.483 1.00 0.00 O ATOM 1235 CB ARG B 24 -7.619 -15.386 -12.359 1.00 0.00 C ATOM 1236 CG ARG B 24 -6.892 -16.531 -13.084 1.00 0.00 C ATOM 1237 CD ARG B 24 -5.967 -16.086 -14.230 1.00 0.00 C ATOM 1238 NE ARG B 24 -6.403 -16.630 -15.534 1.00 0.00 N ATOM 1239 CZ ARG B 24 -5.632 -17.058 -16.520 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -4.331 -17.018 -16.459 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -6.163 -17.545 -17.605 1.00 0.00 N ATOM 0 H ARG B 24 -7.372 -12.987 -13.214 1.00 0.00 H new ATOM 0 HA ARG B 24 -8.975 -15.279 -14.057 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -6.880 -14.667 -12.007 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.117 -15.788 -11.477 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -6.302 -17.087 -12.355 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -7.636 -17.220 -13.484 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -5.948 -14.997 -14.279 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -4.948 -16.414 -14.022 1.00 0.00 H new ATOM 0 HE ARG B 24 -7.410 -16.681 -15.691 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -3.871 -16.646 -15.628 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -3.773 -17.358 -17.242 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -7.177 -17.598 -17.697 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -5.564 -17.874 -18.363 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.858 -13.302 -11.551 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.865 -12.992 -10.515 1.00 0.00 C ATOM 1257 C VAL B 25 -12.060 -12.197 -11.068 1.00 0.00 C ATOM 1258 O VAL B 25 -13.205 -12.471 -10.703 1.00 0.00 O ATOM 1259 CB VAL B 25 -10.189 -12.244 -9.348 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -11.168 -11.765 -8.274 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -9.162 -13.139 -8.636 1.00 0.00 C ATOM 0 H VAL B 25 -9.094 -12.627 -11.572 1.00 0.00 H new ATOM 0 HA VAL B 25 -11.273 -13.936 -10.153 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.719 -11.379 -9.816 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -10.620 -11.248 -7.486 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -11.892 -11.083 -8.720 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -11.691 -12.622 -7.850 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -8.702 -12.585 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -9.662 -14.023 -8.240 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -8.393 -13.445 -9.345 1.00 0.00 H new ATOM 1271 N GLY B 26 -11.818 -11.238 -11.966 1.00 0.00 N ATOM 1272 CA GLY B 26 -12.847 -10.440 -12.649 1.00 0.00 C ATOM 1273 C GLY B 26 -13.535 -9.348 -11.809 1.00 0.00 C ATOM 1274 O GLY B 26 -14.528 -8.778 -12.264 1.00 0.00 O ATOM 0 H GLY B 26 -10.871 -10.985 -12.249 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -12.391 -9.966 -13.518 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.614 -11.119 -13.022 1.00 0.00 H new ATOM 1278 N ASP B 27 -13.056 -9.049 -10.595 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.648 -8.019 -9.723 1.00 0.00 C ATOM 1280 C ASP B 27 -13.386 -6.581 -10.234 1.00 0.00 C ATOM 1281 O ASP B 27 -12.260 -6.266 -10.641 1.00 0.00 O ATOM 1282 CB ASP B 27 -13.145 -8.178 -8.276 1.00 0.00 C ATOM 1283 CG ASP B 27 -14.167 -8.947 -7.421 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -15.150 -8.320 -6.961 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -14.005 -10.172 -7.217 1.00 0.00 O ATOM 0 H ASP B 27 -12.245 -9.514 -10.186 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.727 -8.171 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.192 -8.707 -8.274 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.965 -7.196 -7.839 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.384 -5.672 -10.181 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.278 -4.337 -10.774 1.00 0.00 C ATOM 1292 C PRO B 28 -13.306 -3.418 -10.024 1.00 0.00 C ATOM 1293 O PRO B 28 -12.588 -2.639 -10.652 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.706 -3.779 -10.774 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.380 -4.497 -9.606 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.715 -5.873 -9.623 1.00 0.00 C ATOM 0 HA PRO B 28 -13.862 -4.395 -11.780 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.713 -2.698 -10.636 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.215 -3.983 -11.716 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.212 -3.979 -8.662 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.459 -4.568 -9.743 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.657 -6.290 -8.618 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.289 -6.576 -10.227 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.223 -3.527 -8.692 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.243 -2.772 -7.890 1.00 0.00 C ATOM 1306 C VAL B 29 -10.803 -3.223 -8.176 1.00 0.00 C ATOM 1307 O VAL B 29 -9.894 -2.397 -8.207 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.601 -2.822 -6.391 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.375 -4.187 -5.736 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -11.840 -1.763 -5.594 1.00 0.00 C ATOM 0 H VAL B 29 -13.827 -4.136 -8.140 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.294 -1.726 -8.192 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.672 -2.619 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.651 -4.135 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.989 -4.936 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.324 -4.462 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.119 -1.829 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.768 -1.931 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -12.090 -0.772 -5.974 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.590 -4.510 -8.481 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.276 -5.044 -8.863 1.00 0.00 C ATOM 1322 C LEU B 30 -8.817 -4.467 -10.216 1.00 0.00 C ATOM 1323 O LEU B 30 -7.671 -4.035 -10.353 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.336 -6.590 -8.863 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.165 -7.258 -8.117 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -8.382 -8.772 -8.057 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -6.809 -6.998 -8.774 1.00 0.00 C ATOM 0 H LEU B 30 -11.328 -5.214 -8.470 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.526 -4.736 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -10.274 -6.908 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -9.347 -6.944 -9.894 1.00 0.00 H new ATOM 0 HG LEU B 30 -8.148 -6.818 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -7.551 -9.238 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -9.312 -8.986 -7.531 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -8.438 -9.172 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -6.026 -7.495 -8.201 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -6.817 -7.388 -9.792 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -6.616 -5.925 -8.798 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.735 -4.361 -11.185 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.502 -3.660 -12.449 1.00 0.00 C ATOM 1341 C ALA B 31 -9.262 -2.145 -12.265 1.00 0.00 C ATOM 1342 O ALA B 31 -8.367 -1.585 -12.901 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.686 -3.933 -13.385 1.00 0.00 C ATOM 0 H ALA B 31 -10.669 -4.764 -11.110 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.582 -4.044 -12.890 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.528 -3.417 -14.332 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.768 -5.005 -13.565 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.605 -3.571 -12.924 1.00 0.00 H new ATOM 1349 N LYS B 32 -10.003 -1.482 -11.363 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.795 -0.063 -11.012 1.00 0.00 C ATOM 1351 C LYS B 32 -8.395 0.207 -10.450 1.00 0.00 C ATOM 1352 O LYS B 32 -7.781 1.219 -10.776 1.00 0.00 O ATOM 1353 CB LYS B 32 -10.883 0.393 -10.027 1.00 0.00 C ATOM 1354 CG LYS B 32 -10.801 1.900 -9.738 1.00 0.00 C ATOM 1355 CD LYS B 32 -11.770 2.298 -8.621 1.00 0.00 C ATOM 1356 CE LYS B 32 -11.684 3.803 -8.313 1.00 0.00 C ATOM 1357 NZ LYS B 32 -10.365 4.207 -7.749 1.00 0.00 N ATOM 0 H LYS B 32 -10.770 -1.917 -10.851 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.872 0.519 -11.930 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.865 0.155 -10.436 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.783 -0.161 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.783 2.164 -9.452 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -11.034 2.461 -10.643 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.789 2.042 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.544 1.727 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.870 4.367 -9.227 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.472 4.070 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.394 5.212 -7.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.156 3.632 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -9.623 4.059 -8.462 1.00 0.00 H new ATOM 1371 N ILE B 33 -7.865 -0.700 -9.634 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.533 -0.550 -9.029 1.00 0.00 C ATOM 1373 C ILE B 33 -5.405 -0.482 -10.070 1.00 0.00 C ATOM 1374 O ILE B 33 -4.461 0.268 -9.859 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.339 -1.587 -7.911 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.257 -1.205 -6.724 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -4.889 -1.620 -7.415 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.529 -2.387 -5.802 1.00 0.00 C ATOM 0 H ILE B 33 -8.342 -1.562 -9.370 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.473 0.426 -8.547 1.00 0.00 H new ATOM 0 HB ILE B 33 -6.587 -2.571 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.794 -0.400 -6.153 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.202 -0.821 -7.107 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -4.791 -2.365 -6.625 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.227 -1.879 -8.242 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.616 -0.640 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -8.177 -2.070 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -8.018 -3.182 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.587 -2.756 -5.396 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.526 -1.116 -11.240 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.589 -0.907 -12.361 1.00 0.00 C ATOM 1392 C LEU B 34 -4.499 0.591 -12.751 1.00 0.00 C ATOM 1393 O LEU B 34 -3.404 1.093 -12.978 1.00 0.00 O ATOM 1394 CB LEU B 34 -5.056 -1.728 -13.582 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.406 -3.205 -13.314 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -5.791 -3.908 -14.615 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -4.246 -3.965 -12.686 1.00 0.00 C ATOM 0 H LEU B 34 -6.269 -1.785 -11.442 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.600 -1.236 -12.043 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.932 -1.240 -14.008 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.272 -1.693 -14.339 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.244 -3.204 -12.617 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.035 -4.950 -14.407 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.657 -3.413 -15.053 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.956 -3.863 -15.314 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.539 -5.001 -12.516 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.387 -3.937 -13.356 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.980 -3.502 -11.736 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.621 1.327 -12.792 1.00 0.00 N ATOM 1410 CA GLU B 35 -5.691 2.764 -13.093 1.00 0.00 C ATOM 1411 C GLU B 35 -5.100 3.643 -11.980 1.00 0.00 C ATOM 1412 O GLU B 35 -4.343 4.576 -12.256 1.00 0.00 O ATOM 1413 CB GLU B 35 -7.172 3.129 -13.308 1.00 0.00 C ATOM 1414 CG GLU B 35 -7.521 3.414 -14.767 1.00 0.00 C ATOM 1415 CD GLU B 35 -7.618 4.927 -15.045 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -6.569 5.574 -15.282 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -8.745 5.480 -15.033 1.00 0.00 O ATOM 0 H GLU B 35 -6.539 0.921 -12.609 1.00 0.00 H new ATOM 0 HA GLU B 35 -5.094 2.954 -13.985 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -7.796 2.312 -12.946 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.414 4.005 -12.707 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.764 2.973 -15.415 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -8.469 2.937 -15.014 1.00 0.00 H new ATOM 1424 N ASP B 36 -5.404 3.339 -10.717 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.790 3.997 -9.572 1.00 0.00 C ATOM 1426 C ASP B 36 -3.259 3.777 -9.546 1.00 0.00 C ATOM 1427 O ASP B 36 -2.503 4.732 -9.368 1.00 0.00 O ATOM 1428 CB ASP B 36 -5.452 3.455 -8.301 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.842 4.041 -7.982 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -7.768 4.004 -8.826 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -7.041 4.471 -6.823 1.00 0.00 O ATOM 0 H ASP B 36 -6.087 2.625 -10.463 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.945 5.074 -9.640 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.544 2.373 -8.392 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.791 3.649 -7.456 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.775 2.547 -9.779 1.00 0.00 N ATOM 1437 CA GLU B 37 -1.336 2.240 -9.816 1.00 0.00 C ATOM 1438 C GLU B 37 -0.634 2.765 -11.091 1.00 0.00 C ATOM 1439 O GLU B 37 0.583 2.946 -11.077 1.00 0.00 O ATOM 1440 CB GLU B 37 -1.107 0.720 -9.677 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.611 0.044 -8.386 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.929 0.494 -7.078 1.00 0.00 C ATOM 1443 OE1 GLU B 37 -0.062 1.400 -7.064 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -1.292 0.044 -5.960 1.00 0.00 O ATOM 0 H GLU B 37 -3.371 1.736 -9.947 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.888 2.761 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -1.585 0.228 -10.524 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -0.037 0.531 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.682 0.229 -8.297 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -1.481 -1.033 -8.489 1.00 0.00 H new ATOM 1451 N GLU B 38 -1.362 3.057 -12.177 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.816 3.685 -13.395 1.00 0.00 C ATOM 1453 C GLU B 38 -0.380 5.138 -13.156 1.00 0.00 C ATOM 1454 O GLU B 38 0.718 5.531 -13.563 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.856 3.659 -14.533 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.822 2.374 -15.369 1.00 0.00 C ATOM 1457 CD GLU B 38 -0.897 2.525 -16.592 1.00 0.00 C ATOM 1458 OE1 GLU B 38 0.344 2.417 -16.442 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -1.407 2.758 -17.716 1.00 0.00 O ATOM 0 H GLU B 38 -2.361 2.862 -12.238 1.00 0.00 H new ATOM 0 HA GLU B 38 0.062 3.104 -13.676 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.852 3.778 -14.106 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -1.686 4.513 -15.188 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -1.478 1.545 -14.751 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.830 2.127 -15.701 1.00 0.00 H new ATOM 1466 N LYS B 39 -1.205 5.950 -12.480 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.840 7.341 -12.170 1.00 0.00 C ATOM 1468 C LYS B 39 0.259 7.405 -11.108 1.00 0.00 C ATOM 1469 O LYS B 39 1.191 8.197 -11.249 1.00 0.00 O ATOM 1470 CB LYS B 39 -2.077 8.158 -11.769 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.829 8.741 -12.979 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.610 7.714 -13.817 1.00 0.00 C ATOM 1473 CE LYS B 39 -4.144 8.302 -15.132 1.00 0.00 C ATOM 1474 NZ LYS B 39 -5.152 9.374 -14.922 1.00 0.00 N ATOM 0 H LYS B 39 -2.125 5.670 -12.139 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.433 7.793 -13.075 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -2.755 7.524 -11.197 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.771 8.972 -11.111 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -3.525 9.501 -12.623 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.110 9.244 -13.626 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -2.963 6.866 -14.040 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -4.445 7.332 -13.230 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -3.311 8.703 -15.709 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -4.589 7.504 -15.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -5.475 9.732 -15.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -5.963 8.990 -14.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -4.724 10.151 -14.380 1.00 0.00 H new ATOM 1488 N HIS B 40 0.223 6.515 -10.110 1.00 0.00 N ATOM 1489 CA HIS B 40 1.240 6.414 -9.062 1.00 0.00 C ATOM 1490 C HIS B 40 2.668 6.327 -9.584 1.00 0.00 C ATOM 1491 O HIS B 40 3.537 6.971 -9.024 1.00 0.00 O ATOM 1492 CB HIS B 40 1.021 5.137 -8.252 1.00 0.00 C ATOM 1493 CG HIS B 40 -0.060 5.129 -7.222 1.00 0.00 C ATOM 1494 ND1 HIS B 40 -0.220 4.115 -6.265 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -1.005 6.092 -7.040 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -1.295 4.507 -5.543 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.769 5.683 -5.981 1.00 0.00 N ATOM 0 H HIS B 40 -0.529 5.833 -10.008 1.00 0.00 H new ATOM 0 HA HIS B 40 1.130 7.327 -8.476 1.00 0.00 H new ATOM 0 HB2 HIS B 40 0.817 4.329 -8.954 1.00 0.00 H new ATOM 0 HB3 HIS B 40 1.959 4.896 -7.752 1.00 0.00 H new ATOM 0 HD1 HIS B 40 0.345 3.275 -6.142 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -1.127 6.997 -7.616 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.716 3.946 -4.722 1.00 0.00 H new ATOM 1505 N ILE B 41 2.915 5.510 -10.607 1.00 0.00 N ATOM 1506 CA ILE B 41 4.241 5.142 -11.110 1.00 0.00 C ATOM 1507 C ILE B 41 4.777 6.196 -12.075 1.00 0.00 C ATOM 1508 O ILE B 41 5.970 6.476 -12.040 1.00 0.00 O ATOM 1509 CB ILE B 41 4.262 3.715 -11.701 1.00 0.00 C ATOM 1510 CG1 ILE B 41 5.729 3.306 -11.956 1.00 0.00 C ATOM 1511 CG2 ILE B 41 3.400 3.558 -12.963 1.00 0.00 C ATOM 1512 CD1 ILE B 41 5.915 1.830 -12.306 1.00 0.00 C ATOM 0 H ILE B 41 2.163 5.065 -11.133 1.00 0.00 H new ATOM 0 HA ILE B 41 4.924 5.119 -10.261 1.00 0.00 H new ATOM 0 HB ILE B 41 3.809 3.043 -10.972 1.00 0.00 H new ATOM 0 HG12 ILE B 41 6.128 3.914 -12.768 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.318 3.534 -11.068 1.00 0.00 H new ATOM 0 HG21 ILE B 41 3.464 2.531 -13.322 1.00 0.00 H new ATOM 0 HG22 ILE B 41 2.363 3.797 -12.727 1.00 0.00 H new ATOM 0 HG23 ILE B 41 3.761 4.235 -13.737 1.00 0.00 H new ATOM 0 HD11 ILE B 41 6.973 1.625 -12.470 1.00 0.00 H new ATOM 0 HD12 ILE B 41 5.549 1.213 -11.486 1.00 0.00 H new ATOM 0 HD13 ILE B 41 5.356 1.598 -13.212 1.00 0.00 H new ATOM 1524 N GLU B 42 3.917 6.860 -12.857 1.00 0.00 N ATOM 1525 CA GLU B 42 4.309 8.077 -13.576 1.00 0.00 C ATOM 1526 C GLU B 42 4.803 9.137 -12.577 1.00 0.00 C ATOM 1527 O GLU B 42 5.893 9.685 -12.727 1.00 0.00 O ATOM 1528 CB GLU B 42 3.129 8.598 -14.417 1.00 0.00 C ATOM 1529 CG GLU B 42 3.568 9.698 -15.391 1.00 0.00 C ATOM 1530 CD GLU B 42 2.374 10.239 -16.200 1.00 0.00 C ATOM 1531 OE1 GLU B 42 2.011 9.629 -17.237 1.00 0.00 O ATOM 1532 OE2 GLU B 42 1.798 11.285 -15.813 1.00 0.00 O ATOM 0 H GLU B 42 2.949 6.576 -13.007 1.00 0.00 H new ATOM 0 HA GLU B 42 5.128 7.850 -14.258 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.688 7.772 -14.975 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.354 8.986 -13.756 1.00 0.00 H new ATOM 0 HG2 GLU B 42 4.033 10.513 -14.837 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.323 9.304 -16.072 1.00 0.00 H new ATOM 1539 N TRP B 43 4.043 9.360 -11.504 1.00 0.00 N ATOM 1540 CA TRP B 43 4.363 10.338 -10.459 1.00 0.00 C ATOM 1541 C TRP B 43 5.527 9.914 -9.569 1.00 0.00 C ATOM 1542 O TRP B 43 6.340 10.760 -9.195 1.00 0.00 O ATOM 1543 CB TRP B 43 3.085 10.608 -9.659 1.00 0.00 C ATOM 1544 CG TRP B 43 1.961 11.135 -10.495 1.00 0.00 C ATOM 1545 CD1 TRP B 43 2.114 11.679 -11.721 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.520 11.116 -10.246 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.895 11.862 -12.306 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.135 11.682 -11.387 1.00 0.00 C ATOM 1549 CE3 TRP B 43 -0.296 10.690 -9.171 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.524 11.906 -11.401 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -1.685 10.915 -9.177 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -2.296 11.544 -10.278 1.00 0.00 C ATOM 0 H TRP B 43 3.172 8.858 -11.332 1.00 0.00 H new ATOM 0 HA TRP B 43 4.710 11.258 -10.930 1.00 0.00 H new ATOM 0 HB2 TRP B 43 2.766 9.685 -9.175 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.305 11.324 -8.867 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.062 11.932 -12.172 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.757 12.100 -13.288 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.155 10.183 -8.331 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -1.995 12.352 -12.265 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.284 10.604 -8.334 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.356 11.749 -10.263 1.00 0.00 H new ATOM 1563 N LEU B 44 5.668 8.618 -9.286 1.00 0.00 N ATOM 1564 CA LEU B 44 6.820 8.069 -8.586 1.00 0.00 C ATOM 1565 C LEU B 44 8.105 8.202 -9.430 1.00 0.00 C ATOM 1566 O LEU B 44 9.156 8.542 -8.892 1.00 0.00 O ATOM 1567 CB LEU B 44 6.424 6.642 -8.202 1.00 0.00 C ATOM 1568 CG LEU B 44 7.577 5.807 -7.699 1.00 0.00 C ATOM 1569 CD1 LEU B 44 8.134 6.268 -6.354 1.00 0.00 C ATOM 1570 CD2 LEU B 44 7.199 4.334 -7.657 1.00 0.00 C ATOM 0 H LEU B 44 4.974 7.915 -9.542 1.00 0.00 H new ATOM 0 HA LEU B 44 7.074 8.617 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU B 44 5.653 6.683 -7.432 1.00 0.00 H new ATOM 0 HB3 LEU B 44 5.982 6.151 -9.069 1.00 0.00 H new ATOM 0 HG LEU B 44 8.385 5.948 -8.417 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.959 5.619 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.493 7.294 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.349 6.221 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU B 44 8.045 3.752 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.348 4.196 -6.990 1.00 0.00 H new ATOM 0 HD23 LEU B 44 6.933 3.998 -8.659 1.00 0.00 H new ATOM 1582 N GLU B 45 8.036 7.998 -10.749 1.00 0.00 N ATOM 1583 CA GLU B 45 9.176 8.195 -11.655 1.00 0.00 C ATOM 1584 C GLU B 45 9.558 9.678 -11.772 1.00 0.00 C ATOM 1585 O GLU B 45 10.729 10.024 -11.629 1.00 0.00 O ATOM 1586 CB GLU B 45 8.841 7.587 -13.025 1.00 0.00 C ATOM 1587 CG GLU B 45 10.064 7.298 -13.909 1.00 0.00 C ATOM 1588 CD GLU B 45 10.528 8.506 -14.749 1.00 0.00 C ATOM 1589 OE1 GLU B 45 9.719 9.056 -15.535 1.00 0.00 O ATOM 1590 OE2 GLU B 45 11.725 8.873 -14.679 1.00 0.00 O ATOM 0 H GLU B 45 7.186 7.691 -11.222 1.00 0.00 H new ATOM 0 HA GLU B 45 10.047 7.686 -11.244 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.291 6.658 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.176 8.267 -13.557 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.888 6.970 -13.276 1.00 0.00 H new ATOM 0 HG3 GLU B 45 9.828 6.471 -14.579 1.00 0.00 H new ATOM 1597 N THR B 46 8.575 10.570 -11.934 1.00 0.00 N ATOM 1598 CA THR B 46 8.768 12.036 -11.917 1.00 0.00 C ATOM 1599 C THR B 46 9.394 12.556 -10.608 1.00 0.00 C ATOM 1600 O THR B 46 10.047 13.602 -10.613 1.00 0.00 O ATOM 1601 CB THR B 46 7.438 12.755 -12.220 1.00 0.00 C ATOM 1602 OG1 THR B 46 7.006 12.444 -13.531 1.00 0.00 O ATOM 1603 CG2 THR B 46 7.479 14.283 -12.153 1.00 0.00 C ATOM 0 H THR B 46 7.604 10.296 -12.084 1.00 0.00 H new ATOM 0 HA THR B 46 9.487 12.266 -12.703 1.00 0.00 H new ATOM 0 HB THR B 46 6.771 12.398 -11.436 1.00 0.00 H new ATOM 0 HG1 THR B 46 6.592 11.556 -13.537 1.00 0.00 H new ATOM 0 HG21 THR B 46 6.492 14.684 -12.383 1.00 0.00 H new ATOM 0 HG22 THR B 46 7.773 14.595 -11.151 1.00 0.00 H new ATOM 0 HG23 THR B 46 8.201 14.660 -12.877 1.00 0.00 H new ATOM 1611 N ILE B 47 9.265 11.829 -9.489 1.00 0.00 N ATOM 1612 CA ILE B 47 9.863 12.195 -8.190 1.00 0.00 C ATOM 1613 C ILE B 47 11.400 12.056 -8.121 1.00 0.00 C ATOM 1614 O ILE B 47 12.024 12.471 -7.143 1.00 0.00 O ATOM 1615 CB ILE B 47 9.085 11.497 -7.034 1.00 0.00 C ATOM 1616 CG1 ILE B 47 8.487 12.528 -6.051 1.00 0.00 C ATOM 1617 CG2 ILE B 47 9.882 10.446 -6.240 1.00 0.00 C ATOM 1618 CD1 ILE B 47 7.348 13.360 -6.661 1.00 0.00 C ATOM 0 H ILE B 47 8.736 10.958 -9.457 1.00 0.00 H new ATOM 0 HA ILE B 47 9.739 13.270 -8.062 1.00 0.00 H new ATOM 0 HB ILE B 47 8.293 10.953 -7.550 1.00 0.00 H new ATOM 0 HG12 ILE B 47 8.114 12.006 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE B 47 9.277 13.199 -5.714 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.249 10.022 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.210 9.653 -6.913 1.00 0.00 H new ATOM 0 HG23 ILE B 47 10.752 10.918 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE B 47 6.973 14.064 -5.918 1.00 0.00 H new ATOM 0 HD12 ILE B 47 7.721 13.909 -7.525 1.00 0.00 H new ATOM 0 HD13 ILE B 47 6.540 12.698 -6.973 1.00 0.00 H new ATOM 1630 N ASN B 48 12.025 11.527 -9.175 1.00 0.00 N ATOM 1631 CA ASN B 48 13.468 11.302 -9.294 1.00 0.00 C ATOM 1632 C ASN B 48 14.372 12.553 -9.202 1.00 0.00 C ATOM 1633 O ASN B 48 15.567 12.422 -8.920 1.00 0.00 O ATOM 1634 CB ASN B 48 13.736 10.498 -10.577 1.00 0.00 C ATOM 1635 CG ASN B 48 13.654 11.299 -11.875 1.00 0.00 C ATOM 1636 OD1 ASN B 48 12.927 12.273 -12.015 1.00 0.00 O ATOM 1637 ND2 ASN B 48 14.436 10.936 -12.868 1.00 0.00 N ATOM 0 H ASN B 48 11.516 11.230 -10.007 1.00 0.00 H new ATOM 0 HA ASN B 48 13.757 10.739 -8.406 1.00 0.00 H new ATOM 0 HB2 ASN B 48 14.728 10.051 -10.506 1.00 0.00 H new ATOM 0 HB3 ASN B 48 13.020 9.678 -10.629 1.00 0.00 H new ATOM 0 HD21 ASN B 48 14.431 11.464 -13.740 1.00 0.00 H new ATOM 0 HD22 ASN B 48 15.048 10.126 -12.766 1.00 0.00 H new