USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=15 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 150:sc= -1.56 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 13 GLN : amide:sc=-0.00662 X(o=-0.0066,f=-0.41) USER MOD Single : A 15 MET CE :methyl 166:sc= 0 (180deg=-0.312) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 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+ -169:sc= 1.7 (180deg=1.59) USER MOD Single : A 40 HIS : no HD1:sc= -0.23 K(o=0.35,f=-10!) USER MOD Single : A 46 THR OG1 : rot 75:sc= 0.858 USER MOD Single : A 48 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.37) USER MOD Single : B 3 TYR OH : rot 30:sc= 0 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0101) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= -0.0945 X(o=-0.095,f=-0.44) USER MOD Single : B 15 MET CE :methyl 150:sc= -0.289 (180deg=-1.35) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.14) USER MOD Single : B 40 HIS : no HD1:sc= -0.618 K(o=0.21,f=-6.6!) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 ASN : amide:sc=-0.00232 K(o=-0.0023,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 32 N TYR A 3 -3.204 -16.349 -4.586 1.00 0.00 N ATOM 33 CA TYR A 3 -2.210 -15.414 -5.135 1.00 0.00 C ATOM 34 C TYR A 3 -2.122 -14.068 -4.386 1.00 0.00 C ATOM 35 O TYR A 3 -1.039 -13.488 -4.282 1.00 0.00 O ATOM 36 CB TYR A 3 -2.506 -15.175 -6.629 1.00 0.00 C ATOM 37 CG TYR A 3 -3.537 -14.087 -6.887 1.00 0.00 C ATOM 38 CD1 TYR A 3 -4.905 -14.323 -6.644 1.00 0.00 C ATOM 39 CD2 TYR A 3 -3.102 -12.797 -7.251 1.00 0.00 C ATOM 40 CE1 TYR A 3 -5.829 -13.260 -6.714 1.00 0.00 C ATOM 41 CE2 TYR A 3 -4.024 -11.740 -7.337 1.00 0.00 C ATOM 42 CZ TYR A 3 -5.386 -11.961 -7.043 1.00 0.00 C ATOM 43 OH TYR A 3 -6.268 -10.927 -7.073 1.00 0.00 O ATOM 0 HA TYR A 3 -1.236 -15.885 -5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -1.578 -14.910 -7.135 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.856 -16.107 -7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.246 -15.319 -6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.058 -12.620 -7.464 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.875 -13.440 -6.516 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.689 -10.756 -7.629 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.805 -10.096 -6.838 1.00 0.00 H new ATOM 53 N LEU A 4 -3.243 -13.562 -3.850 1.00 0.00 N ATOM 54 CA LEU A 4 -3.378 -12.234 -3.255 1.00 0.00 C ATOM 55 C LEU A 4 -2.452 -11.954 -2.060 1.00 0.00 C ATOM 56 O LEU A 4 -2.210 -10.791 -1.737 1.00 0.00 O ATOM 57 CB LEU A 4 -4.867 -11.989 -2.969 1.00 0.00 C ATOM 58 CG LEU A 4 -5.471 -12.900 -1.886 1.00 0.00 C ATOM 59 CD1 LEU A 4 -5.339 -12.333 -0.469 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.959 -13.128 -2.148 1.00 0.00 C ATOM 0 H LEU A 4 -4.113 -14.093 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.022 -11.499 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.999 -10.950 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.428 -12.125 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.905 -13.830 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.786 -13.026 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.285 -12.195 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.853 -11.373 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.370 -13.774 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.481 -12.171 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.089 -13.601 -3.121 1.00 0.00 H new ATOM 72 N ARG A 5 -1.873 -12.990 -1.439 1.00 0.00 N ATOM 73 CA ARG A 5 -0.809 -12.837 -0.433 1.00 0.00 C ATOM 74 C ARG A 5 0.393 -12.059 -0.964 1.00 0.00 C ATOM 75 O ARG A 5 0.932 -11.224 -0.245 1.00 0.00 O ATOM 76 CB ARG A 5 -0.404 -14.222 0.121 1.00 0.00 C ATOM 77 CG ARG A 5 0.387 -15.091 -0.882 1.00 0.00 C ATOM 78 CD ARG A 5 0.691 -16.502 -0.369 1.00 0.00 C ATOM 79 NE ARG A 5 -0.520 -17.339 -0.277 1.00 0.00 N ATOM 80 CZ ARG A 5 -0.583 -18.557 0.234 1.00 0.00 C ATOM 81 NH1 ARG A 5 0.482 -19.195 0.636 1.00 0.00 N ATOM 82 NH2 ARG A 5 -1.725 -19.166 0.361 1.00 0.00 N ATOM 0 H ARG A 5 -2.129 -13.961 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.207 -12.239 0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.198 -14.081 1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.303 -14.759 0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.180 -15.166 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.326 -14.591 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.410 -16.980 -1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.159 -16.436 0.613 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.387 -16.943 -0.640 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.399 -18.755 0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.397 -20.134 1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.585 -18.704 0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.761 -20.105 0.757 1.00 0.00 H new ATOM 96 N GLU A 6 0.788 -12.270 -2.220 1.00 0.00 N ATOM 97 CA GLU A 6 1.873 -11.556 -2.856 1.00 0.00 C ATOM 98 C GLU A 6 1.512 -10.082 -3.060 1.00 0.00 C ATOM 99 O GLU A 6 2.350 -9.218 -2.820 1.00 0.00 O ATOM 100 CB GLU A 6 2.154 -12.260 -4.184 1.00 0.00 C ATOM 101 CG GLU A 6 2.846 -13.617 -3.988 1.00 0.00 C ATOM 102 CD GLU A 6 3.272 -14.237 -5.333 1.00 0.00 C ATOM 103 OE1 GLU A 6 4.386 -13.926 -5.821 1.00 0.00 O ATOM 104 OE2 GLU A 6 2.511 -15.060 -5.897 1.00 0.00 O ATOM 0 H GLU A 6 0.347 -12.959 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 6 2.766 -11.565 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.217 -12.407 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.781 -11.621 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.722 -13.491 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.171 -14.299 -3.470 1.00 0.00 H new ATOM 111 N LEU A 7 0.257 -9.772 -3.405 1.00 0.00 N ATOM 112 CA LEU A 7 -0.228 -8.392 -3.484 1.00 0.00 C ATOM 113 C LEU A 7 -0.154 -7.682 -2.126 1.00 0.00 C ATOM 114 O LEU A 7 0.389 -6.583 -2.041 1.00 0.00 O ATOM 115 CB LEU A 7 -1.650 -8.346 -4.064 1.00 0.00 C ATOM 116 CG LEU A 7 -1.843 -8.901 -5.485 1.00 0.00 C ATOM 117 CD1 LEU A 7 -3.207 -8.439 -6.005 1.00 0.00 C ATOM 118 CD2 LEU A 7 -0.764 -8.456 -6.469 1.00 0.00 C ATOM 0 H LEU A 7 -0.449 -10.471 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 7 0.431 -7.850 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.308 -8.898 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.985 -7.309 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.776 -9.987 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.361 -8.824 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.993 -8.814 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.239 -7.350 -6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.966 -8.886 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.765 -7.368 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.211 -8.795 -6.118 1.00 0.00 H new ATOM 130 N TYR A 8 -0.628 -8.316 -1.052 1.00 0.00 N ATOM 131 CA TYR A 8 -0.491 -7.822 0.326 1.00 0.00 C ATOM 132 C TYR A 8 0.959 -7.507 0.680 1.00 0.00 C ATOM 133 O TYR A 8 1.292 -6.401 1.112 1.00 0.00 O ATOM 134 CB TYR A 8 -1.082 -8.876 1.277 1.00 0.00 C ATOM 135 CG TYR A 8 -1.677 -8.338 2.568 1.00 0.00 C ATOM 136 CD1 TYR A 8 -0.856 -7.712 3.529 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.055 -8.490 2.820 1.00 0.00 C ATOM 138 CE1 TYR A 8 -1.415 -7.222 4.726 1.00 0.00 C ATOM 139 CE2 TYR A 8 -3.618 -7.997 4.013 1.00 0.00 C ATOM 140 CZ TYR A 8 -2.800 -7.358 4.969 1.00 0.00 C ATOM 141 OH TYR A 8 -3.349 -6.883 6.121 1.00 0.00 O ATOM 0 H TYR A 8 -1.127 -9.203 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.036 -6.883 0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.856 -9.427 0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.299 -9.591 1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.203 -7.608 3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.682 -8.987 2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.784 -6.742 5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.677 -8.108 4.196 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.313 -7.061 6.122 1.00 0.00 H new ATOM 151 N LYS A 9 1.827 -8.477 0.405 1.00 0.00 N ATOM 152 CA LYS A 9 3.283 -8.422 0.617 1.00 0.00 C ATOM 153 C LYS A 9 4.036 -7.510 -0.370 1.00 0.00 C ATOM 154 O LYS A 9 5.264 -7.441 -0.319 1.00 0.00 O ATOM 155 CB LYS A 9 3.821 -9.863 0.663 1.00 0.00 C ATOM 156 CG LYS A 9 3.248 -10.622 1.879 1.00 0.00 C ATOM 157 CD LYS A 9 3.428 -12.140 1.752 1.00 0.00 C ATOM 158 CE LYS A 9 2.646 -12.910 2.829 1.00 0.00 C ATOM 159 NZ LYS A 9 3.131 -12.629 4.209 1.00 0.00 N ATOM 0 H LYS A 9 1.527 -9.368 0.009 1.00 0.00 H new ATOM 0 HA LYS A 9 3.474 -7.938 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.555 -10.385 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.910 -9.848 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.740 -10.274 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.188 -10.391 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.097 -12.462 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.487 -12.386 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.590 -12.649 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.724 -13.979 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.568 -13.174 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.131 -12.902 4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.033 -11.614 4.412 1.00 0.00 H new ATOM 173 N LEU A 10 3.312 -6.752 -1.201 1.00 0.00 N ATOM 174 CA LEU A 10 3.828 -5.655 -2.029 1.00 0.00 C ATOM 175 C LEU A 10 3.178 -4.302 -1.680 1.00 0.00 C ATOM 176 O LEU A 10 3.888 -3.301 -1.595 1.00 0.00 O ATOM 177 CB LEU A 10 3.600 -5.994 -3.513 1.00 0.00 C ATOM 178 CG LEU A 10 4.437 -7.172 -4.054 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.866 -7.620 -5.399 1.00 0.00 C ATOM 180 CD2 LEU A 10 5.902 -6.790 -4.237 1.00 0.00 C ATOM 0 H LEU A 10 2.309 -6.892 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 10 4.894 -5.551 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.544 -6.222 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.820 -5.109 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 10 4.387 -7.981 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.454 -8.452 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.831 -7.937 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.904 -6.790 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.456 -7.647 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.977 -5.964 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.321 -6.485 -3.278 1.00 0.00 H new ATOM 192 N GLU A 11 1.865 -4.244 -1.428 1.00 0.00 N ATOM 193 CA GLU A 11 1.155 -2.979 -1.170 1.00 0.00 C ATOM 194 C GLU A 11 1.504 -2.398 0.211 1.00 0.00 C ATOM 195 O GLU A 11 1.867 -1.224 0.315 1.00 0.00 O ATOM 196 CB GLU A 11 -0.364 -3.195 -1.288 1.00 0.00 C ATOM 197 CG GLU A 11 -0.846 -3.465 -2.725 1.00 0.00 C ATOM 198 CD GLU A 11 -1.100 -2.176 -3.508 1.00 0.00 C ATOM 199 OE1 GLU A 11 -0.266 -1.296 -3.775 1.00 0.00 O ATOM 200 OE2 GLU A 11 -2.211 -1.770 -3.894 1.00 0.00 O ATOM 0 H GLU A 11 1.264 -5.067 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 11 1.478 -2.257 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.652 -4.034 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.877 -2.314 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.101 -4.064 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.763 -4.054 -2.693 1.00 0.00 H new ATOM 207 N GLN A 12 1.471 -3.218 1.270 1.00 0.00 N ATOM 208 CA GLN A 12 1.910 -2.818 2.611 1.00 0.00 C ATOM 209 C GLN A 12 3.417 -2.508 2.655 1.00 0.00 C ATOM 210 O GLN A 12 3.840 -1.560 3.319 1.00 0.00 O ATOM 211 CB GLN A 12 1.529 -3.928 3.605 1.00 0.00 C ATOM 212 CG GLN A 12 0.474 -3.449 4.605 1.00 0.00 C ATOM 213 CD GLN A 12 1.018 -2.485 5.662 1.00 0.00 C ATOM 214 OE1 GLN A 12 2.043 -2.713 6.293 1.00 0.00 O ATOM 215 NE2 GLN A 12 0.356 -1.375 5.907 1.00 0.00 N ATOM 0 H GLN A 12 1.138 -4.181 1.219 1.00 0.00 H new ATOM 0 HA GLN A 12 1.406 -1.893 2.890 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.149 -4.791 3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.418 -4.257 4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.333 -2.959 4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.041 -4.315 5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.500 -1.167 5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.698 -0.722 6.612 1.00 0.00 H new ATOM 224 N GLN A 13 4.224 -3.257 1.893 1.00 0.00 N ATOM 225 CA GLN A 13 5.659 -3.029 1.728 1.00 0.00 C ATOM 226 C GLN A 13 5.971 -1.665 1.088 1.00 0.00 C ATOM 227 O GLN A 13 6.870 -0.962 1.548 1.00 0.00 O ATOM 228 CB GLN A 13 6.251 -4.195 0.935 1.00 0.00 C ATOM 229 CG GLN A 13 6.934 -5.245 1.826 1.00 0.00 C ATOM 230 CD GLN A 13 8.278 -4.777 2.385 1.00 0.00 C ATOM 231 OE1 GLN A 13 8.363 -4.082 3.387 1.00 0.00 O ATOM 232 NE2 GLN A 13 9.382 -5.146 1.768 1.00 0.00 N ATOM 0 H GLN A 13 3.885 -4.059 1.362 1.00 0.00 H new ATOM 0 HA GLN A 13 6.128 -2.991 2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.459 -4.675 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.976 -3.808 0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.271 -5.496 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.085 -6.158 1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.329 -5.726 0.931 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.290 -4.852 2.128 1.00 0.00 H new ATOM 241 N ALA A 14 5.203 -1.250 0.074 1.00 0.00 N ATOM 242 CA ALA A 14 5.320 0.081 -0.523 1.00 0.00 C ATOM 243 C ALA A 14 4.888 1.194 0.453 1.00 0.00 C ATOM 244 O ALA A 14 5.606 2.181 0.626 1.00 0.00 O ATOM 245 CB ALA A 14 4.506 0.107 -1.823 1.00 0.00 C ATOM 0 H ALA A 14 4.482 -1.830 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 14 6.367 0.282 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.583 1.093 -2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.895 -0.644 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.461 -0.110 -1.602 1.00 0.00 H new ATOM 251 N MET A 15 3.758 1.022 1.155 1.00 0.00 N ATOM 252 CA MET A 15 3.269 1.986 2.158 1.00 0.00 C ATOM 253 C MET A 15 4.281 2.291 3.266 1.00 0.00 C ATOM 254 O MET A 15 4.417 3.446 3.673 1.00 0.00 O ATOM 255 CB MET A 15 1.977 1.466 2.807 1.00 0.00 C ATOM 256 CG MET A 15 0.758 1.519 1.883 1.00 0.00 C ATOM 257 SD MET A 15 -0.672 2.364 2.612 1.00 0.00 S ATOM 258 CE MET A 15 -0.018 4.056 2.657 1.00 0.00 C ATOM 0 H MET A 15 3.154 0.208 1.044 1.00 0.00 H new ATOM 0 HA MET A 15 3.092 2.913 1.613 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.132 0.437 3.130 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.769 2.053 3.702 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.036 2.025 0.958 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.471 0.502 1.616 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.833 4.756 2.841 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.719 4.140 3.455 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.453 4.290 1.702 1.00 0.00 H new ATOM 268 N LYS A 16 5.019 1.271 3.717 1.00 0.00 N ATOM 269 CA LYS A 16 6.127 1.365 4.684 1.00 0.00 C ATOM 270 C LYS A 16 7.165 2.433 4.321 1.00 0.00 C ATOM 271 O LYS A 16 7.734 3.070 5.204 1.00 0.00 O ATOM 272 CB LYS A 16 6.812 -0.013 4.757 1.00 0.00 C ATOM 273 CG LYS A 16 6.896 -0.607 6.172 1.00 0.00 C ATOM 274 CD LYS A 16 7.862 0.150 7.094 1.00 0.00 C ATOM 275 CE LYS A 16 7.936 -0.552 8.456 1.00 0.00 C ATOM 276 NZ LYS A 16 8.916 0.105 9.361 1.00 0.00 N ATOM 0 H LYS A 16 4.856 0.313 3.406 1.00 0.00 H new ATOM 0 HA LYS A 16 5.707 1.662 5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.271 -0.709 4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.820 0.074 4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.902 -0.604 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.212 -1.648 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.853 0.192 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.526 1.179 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.951 -0.547 8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.216 -1.596 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.938 -0.397 10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.861 0.078 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.635 1.094 9.518 1.00 0.00 H new ATOM 290 N LEU A 17 7.410 2.615 3.024 1.00 0.00 N ATOM 291 CA LEU A 17 8.483 3.429 2.474 1.00 0.00 C ATOM 292 C LEU A 17 7.998 4.817 2.096 1.00 0.00 C ATOM 293 O LEU A 17 8.676 5.803 2.371 1.00 0.00 O ATOM 294 CB LEU A 17 8.987 2.728 1.215 1.00 0.00 C ATOM 295 CG LEU A 17 9.597 1.365 1.526 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.794 0.605 0.220 1.00 0.00 C ATOM 297 CD2 LEU A 17 10.915 1.483 2.289 1.00 0.00 C ATOM 0 H LEU A 17 6.839 2.179 2.300 1.00 0.00 H new ATOM 0 HA LEU A 17 9.266 3.542 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.162 2.604 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.731 3.355 0.724 1.00 0.00 H new ATOM 0 HG LEU A 17 8.912 0.819 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.230 -0.372 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.831 0.474 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.462 1.168 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.311 0.487 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.632 2.046 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.744 2.000 3.233 1.00 0.00 H new ATOM 309 N TYR A 18 6.800 4.888 1.516 1.00 0.00 N ATOM 310 CA TYR A 18 6.134 6.132 1.176 1.00 0.00 C ATOM 311 C TYR A 18 6.004 7.036 2.412 1.00 0.00 C ATOM 312 O TYR A 18 6.393 8.202 2.356 1.00 0.00 O ATOM 313 CB TYR A 18 4.763 5.805 0.571 1.00 0.00 C ATOM 314 CG TYR A 18 4.722 5.348 -0.880 1.00 0.00 C ATOM 315 CD1 TYR A 18 5.329 6.124 -1.890 1.00 0.00 C ATOM 316 CD2 TYR A 18 3.971 4.211 -1.239 1.00 0.00 C ATOM 317 CE1 TYR A 18 5.194 5.761 -3.244 1.00 0.00 C ATOM 318 CE2 TYR A 18 3.841 3.838 -2.590 1.00 0.00 C ATOM 319 CZ TYR A 18 4.454 4.613 -3.595 1.00 0.00 C ATOM 320 OH TYR A 18 4.284 4.278 -4.902 1.00 0.00 O ATOM 0 H TYR A 18 6.259 4.060 1.266 1.00 0.00 H new ATOM 0 HA TYR A 18 6.725 6.681 0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.304 5.027 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.136 6.692 0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.900 7.001 -1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.492 3.621 -0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.657 6.361 -4.013 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.272 2.959 -2.856 1.00 0.00 H new ATOM 0 HH TYR A 18 5.057 4.584 -5.421 1.00 0.00 H new ATOM 330 N ARG A 19 5.545 6.497 3.554 1.00 0.00 N ATOM 331 CA ARG A 19 5.416 7.257 4.813 1.00 0.00 C ATOM 332 C ARG A 19 6.760 7.696 5.408 1.00 0.00 C ATOM 333 O ARG A 19 6.832 8.751 6.036 1.00 0.00 O ATOM 334 CB ARG A 19 4.554 6.480 5.828 1.00 0.00 C ATOM 335 CG ARG A 19 5.241 5.251 6.452 1.00 0.00 C ATOM 336 CD ARG A 19 4.343 4.506 7.452 1.00 0.00 C ATOM 337 NE ARG A 19 3.166 3.885 6.808 1.00 0.00 N ATOM 338 CZ ARG A 19 1.901 4.266 6.895 1.00 0.00 C ATOM 339 NH1 ARG A 19 1.537 5.345 7.529 1.00 0.00 N ATOM 340 NH2 ARG A 19 0.961 3.556 6.341 1.00 0.00 N ATOM 0 H ARG A 19 5.253 5.523 3.632 1.00 0.00 H new ATOM 0 HA ARG A 19 4.903 8.187 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.259 7.159 6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.639 6.155 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.539 4.566 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.153 5.569 6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.927 3.734 7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.007 5.202 8.221 1.00 0.00 H new ATOM 0 HE ARG A 19 3.350 3.066 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.238 5.931 7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.551 5.603 7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.197 2.701 5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.012 3.854 6.411 1.00 0.00 H new ATOM 354 N GLU A 20 7.824 6.917 5.198 1.00 0.00 N ATOM 355 CA GLU A 20 9.176 7.224 5.687 1.00 0.00 C ATOM 356 C GLU A 20 9.822 8.352 4.872 1.00 0.00 C ATOM 357 O GLU A 20 10.298 9.352 5.413 1.00 0.00 O ATOM 358 CB GLU A 20 10.038 5.955 5.585 1.00 0.00 C ATOM 359 CG GLU A 20 11.201 5.973 6.582 1.00 0.00 C ATOM 360 CD GLU A 20 12.002 4.658 6.529 1.00 0.00 C ATOM 361 OE1 GLU A 20 12.928 4.539 5.690 1.00 0.00 O ATOM 362 OE2 GLU A 20 11.723 3.740 7.339 1.00 0.00 O ATOM 0 H GLU A 20 7.773 6.042 4.676 1.00 0.00 H new ATOM 0 HA GLU A 20 9.107 7.557 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.417 5.078 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.430 5.863 4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.860 6.812 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.817 6.127 7.590 1.00 0.00 H new ATOM 369 N ALA A 21 9.785 8.191 3.549 1.00 0.00 N ATOM 370 CA ALA A 21 10.293 9.155 2.575 1.00 0.00 C ATOM 371 C ALA A 21 9.511 10.480 2.561 1.00 0.00 C ATOM 372 O ALA A 21 10.107 11.519 2.287 1.00 0.00 O ATOM 373 CB ALA A 21 10.294 8.495 1.189 1.00 0.00 C ATOM 0 H ALA A 21 9.388 7.359 3.113 1.00 0.00 H new ATOM 0 HA ALA A 21 11.308 9.426 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.671 9.202 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.934 7.613 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.278 8.201 0.925 1.00 0.00 H new ATOM 379 N SER A 22 8.210 10.482 2.882 1.00 0.00 N ATOM 380 CA SER A 22 7.342 11.672 2.801 1.00 0.00 C ATOM 381 C SER A 22 7.915 12.905 3.497 1.00 0.00 C ATOM 382 O SER A 22 7.959 13.986 2.911 1.00 0.00 O ATOM 383 CB SER A 22 5.967 11.362 3.406 1.00 0.00 C ATOM 384 OG SER A 22 4.962 12.202 2.859 1.00 0.00 O ATOM 0 H SER A 22 7.722 9.649 3.210 1.00 0.00 H new ATOM 0 HA SER A 22 7.263 11.908 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.713 10.318 3.220 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.005 11.493 4.487 1.00 0.00 H new ATOM 0 HG SER A 22 4.096 11.981 3.261 1.00 0.00 H new ATOM 390 N GLU A 23 8.396 12.746 4.730 1.00 0.00 N ATOM 391 CA GLU A 23 8.979 13.850 5.513 1.00 0.00 C ATOM 392 C GLU A 23 10.315 14.370 4.936 1.00 0.00 C ATOM 393 O GLU A 23 10.600 15.569 5.018 1.00 0.00 O ATOM 394 CB GLU A 23 9.131 13.409 6.979 1.00 0.00 C ATOM 395 CG GLU A 23 9.465 14.582 7.911 1.00 0.00 C ATOM 396 CD GLU A 23 9.449 14.144 9.387 1.00 0.00 C ATOM 397 OE1 GLU A 23 10.505 13.710 9.910 1.00 0.00 O ATOM 398 OE2 GLU A 23 8.382 14.243 10.044 1.00 0.00 O ATOM 0 H GLU A 23 8.395 11.851 5.219 1.00 0.00 H new ATOM 0 HA GLU A 23 8.293 14.695 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.207 12.936 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.917 12.657 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.447 14.982 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.745 15.386 7.760 1.00 0.00 H new ATOM 405 N ARG A 24 11.121 13.493 4.316 1.00 0.00 N ATOM 406 CA ARG A 24 12.401 13.846 3.669 1.00 0.00 C ATOM 407 C ARG A 24 12.245 14.393 2.243 1.00 0.00 C ATOM 408 O ARG A 24 13.105 15.158 1.801 1.00 0.00 O ATOM 409 CB ARG A 24 13.354 12.633 3.689 1.00 0.00 C ATOM 410 CG ARG A 24 13.943 12.411 5.093 1.00 0.00 C ATOM 411 CD ARG A 24 15.020 11.317 5.104 1.00 0.00 C ATOM 412 NE ARG A 24 15.715 11.279 6.407 1.00 0.00 N ATOM 413 CZ ARG A 24 16.745 10.522 6.743 1.00 0.00 C ATOM 414 NH1 ARG A 24 17.263 9.648 5.929 1.00 0.00 N ATOM 415 NH2 ARG A 24 17.287 10.633 7.922 1.00 0.00 N ATOM 0 H ARG A 24 10.900 12.500 4.248 1.00 0.00 H new ATOM 0 HA ARG A 24 12.828 14.662 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.816 11.739 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.161 12.790 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.372 13.345 5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.143 12.138 5.782 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.563 10.348 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.741 11.502 4.307 1.00 0.00 H new ATOM 0 HE ARG A 24 15.360 11.907 7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.874 9.529 4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.058 9.083 6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.917 11.307 8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.082 10.046 8.175 1.00 0.00 H new ATOM 429 N VAL A 25 11.166 14.046 1.533 1.00 0.00 N ATOM 430 CA VAL A 25 10.926 14.456 0.133 1.00 0.00 C ATOM 431 C VAL A 25 9.992 15.673 0.040 1.00 0.00 C ATOM 432 O VAL A 25 10.275 16.608 -0.709 1.00 0.00 O ATOM 433 CB VAL A 25 10.395 13.265 -0.686 1.00 0.00 C ATOM 434 CG1 VAL A 25 10.082 13.637 -2.140 1.00 0.00 C ATOM 435 CG2 VAL A 25 11.419 12.122 -0.728 1.00 0.00 C ATOM 0 H VAL A 25 10.420 13.464 1.915 1.00 0.00 H new ATOM 0 HA VAL A 25 11.879 14.768 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 25 9.479 12.957 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.712 12.759 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.323 14.419 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.988 13.998 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.017 11.295 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.342 12.477 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.626 11.782 0.287 1.00 0.00 H new ATOM 445 N GLY A 26 8.921 15.709 0.839 1.00 0.00 N ATOM 446 CA GLY A 26 8.043 16.875 1.015 1.00 0.00 C ATOM 447 C GLY A 26 7.108 17.221 -0.157 1.00 0.00 C ATOM 448 O GLY A 26 6.542 18.316 -0.170 1.00 0.00 O ATOM 0 H GLY A 26 8.631 14.906 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.430 16.709 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.669 17.744 1.219 1.00 0.00 H new ATOM 452 N ASP A 27 6.933 16.335 -1.144 1.00 0.00 N ATOM 453 CA ASP A 27 6.044 16.561 -2.297 1.00 0.00 C ATOM 454 C ASP A 27 4.584 16.135 -2.011 1.00 0.00 C ATOM 455 O ASP A 27 4.358 15.076 -1.413 1.00 0.00 O ATOM 456 CB ASP A 27 6.581 15.820 -3.533 1.00 0.00 C ATOM 457 CG ASP A 27 7.604 16.680 -4.294 1.00 0.00 C ATOM 458 OD1 ASP A 27 7.176 17.620 -5.006 1.00 0.00 O ATOM 459 OD2 ASP A 27 8.826 16.427 -4.187 1.00 0.00 O ATOM 0 H ASP A 27 7.407 15.432 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 27 6.033 17.634 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.046 14.883 -3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.754 15.563 -4.195 1.00 0.00 H new ATOM 464 N PRO A 28 3.572 16.906 -2.465 1.00 0.00 N ATOM 465 CA PRO A 28 2.165 16.639 -2.157 1.00 0.00 C ATOM 466 C PRO A 28 1.605 15.396 -2.865 1.00 0.00 C ATOM 467 O PRO A 28 0.734 14.724 -2.315 1.00 0.00 O ATOM 468 CB PRO A 28 1.411 17.910 -2.565 1.00 0.00 C ATOM 469 CG PRO A 28 2.279 18.508 -3.671 1.00 0.00 C ATOM 470 CD PRO A 28 3.695 18.140 -3.232 1.00 0.00 C ATOM 0 HA PRO A 28 2.047 16.411 -1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.407 17.682 -2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.302 18.597 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.037 18.087 -4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.148 19.587 -3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.346 18.000 -4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.134 18.933 -2.627 1.00 0.00 H new ATOM 478 N VAL A 29 2.115 15.041 -4.053 1.00 0.00 N ATOM 479 CA VAL A 29 1.702 13.810 -4.756 1.00 0.00 C ATOM 480 C VAL A 29 2.111 12.542 -3.990 1.00 0.00 C ATOM 481 O VAL A 29 1.365 11.566 -3.970 1.00 0.00 O ATOM 482 CB VAL A 29 2.173 13.814 -6.226 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.685 13.660 -6.420 1.00 0.00 C ATOM 484 CG2 VAL A 29 1.466 12.731 -7.042 1.00 0.00 C ATOM 0 H VAL A 29 2.817 15.589 -4.551 1.00 0.00 H new ATOM 0 HA VAL A 29 0.612 13.796 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 29 1.904 14.808 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.919 13.674 -7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.201 14.482 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.013 12.714 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.821 12.762 -8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.682 11.753 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.390 12.906 -7.024 1.00 0.00 H new ATOM 494 N LEU A 30 3.235 12.571 -3.264 1.00 0.00 N ATOM 495 CA LEU A 30 3.657 11.495 -2.364 1.00 0.00 C ATOM 496 C LEU A 30 2.656 11.299 -1.209 1.00 0.00 C ATOM 497 O LEU A 30 2.237 10.174 -0.934 1.00 0.00 O ATOM 498 CB LEU A 30 5.083 11.829 -1.872 1.00 0.00 C ATOM 499 CG LEU A 30 5.978 10.598 -1.672 1.00 0.00 C ATOM 500 CD1 LEU A 30 7.414 11.049 -1.410 1.00 0.00 C ATOM 501 CD2 LEU A 30 5.540 9.713 -0.507 1.00 0.00 C ATOM 0 H LEU A 30 3.886 13.356 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 30 3.674 10.540 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.557 12.497 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.013 12.372 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 30 5.898 10.010 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.050 10.175 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.775 11.626 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.443 11.668 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.216 8.862 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.565 10.290 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.526 9.355 -0.683 1.00 0.00 H new ATOM 513 N ALA A 31 2.188 12.390 -0.595 1.00 0.00 N ATOM 514 CA ALA A 31 1.117 12.345 0.406 1.00 0.00 C ATOM 515 C ALA A 31 -0.222 11.846 -0.182 1.00 0.00 C ATOM 516 O ALA A 31 -0.908 11.036 0.447 1.00 0.00 O ATOM 517 CB ALA A 31 0.978 13.732 1.045 1.00 0.00 C ATOM 0 H ALA A 31 2.541 13.329 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 31 1.386 11.619 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.184 13.711 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.918 14.008 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.733 14.464 0.276 1.00 0.00 H new ATOM 523 N LYS A 32 -0.574 12.264 -1.409 1.00 0.00 N ATOM 524 CA LYS A 32 -1.770 11.802 -2.144 1.00 0.00 C ATOM 525 C LYS A 32 -1.768 10.290 -2.408 1.00 0.00 C ATOM 526 O LYS A 32 -2.822 9.658 -2.374 1.00 0.00 O ATOM 527 CB LYS A 32 -1.897 12.607 -3.453 1.00 0.00 C ATOM 528 CG LYS A 32 -3.195 12.387 -4.247 1.00 0.00 C ATOM 529 CD LYS A 32 -4.450 12.889 -3.516 1.00 0.00 C ATOM 530 CE LYS A 32 -5.673 12.750 -4.432 1.00 0.00 C ATOM 531 NZ LYS A 32 -6.895 13.321 -3.806 1.00 0.00 N ATOM 0 H LYS A 32 -0.025 12.947 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.643 11.982 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.813 13.668 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.053 12.357 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.115 12.896 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.307 11.324 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.602 12.317 -2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.320 13.931 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.479 13.255 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.839 11.697 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.701 13.209 -4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.094 12.822 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.745 14.331 -3.611 1.00 0.00 H new ATOM 545 N ILE A 33 -0.597 9.688 -2.615 1.00 0.00 N ATOM 546 CA ILE A 33 -0.458 8.235 -2.809 1.00 0.00 C ATOM 547 C ILE A 33 -0.820 7.432 -1.552 1.00 0.00 C ATOM 548 O ILE A 33 -1.389 6.349 -1.675 1.00 0.00 O ATOM 549 CB ILE A 33 0.950 7.905 -3.347 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.000 8.357 -4.821 1.00 0.00 C ATOM 551 CG2 ILE A 33 1.308 6.413 -3.237 1.00 0.00 C ATOM 552 CD1 ILE A 33 2.409 8.345 -5.401 1.00 0.00 C ATOM 0 H ILE A 33 0.289 10.192 -2.654 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.184 7.924 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 33 1.686 8.431 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.362 7.704 -5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.589 9.363 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.310 6.249 -3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.276 6.107 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.591 5.824 -3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.378 8.673 -6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.045 9.019 -4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.814 7.334 -5.351 1.00 0.00 H new ATOM 564 N LEU A 34 -0.571 7.949 -0.344 1.00 0.00 N ATOM 565 CA LEU A 34 -0.952 7.259 0.899 1.00 0.00 C ATOM 566 C LEU A 34 -2.466 7.024 0.991 1.00 0.00 C ATOM 567 O LEU A 34 -2.894 5.957 1.424 1.00 0.00 O ATOM 568 CB LEU A 34 -0.469 8.056 2.128 1.00 0.00 C ATOM 569 CG LEU A 34 1.041 8.349 2.188 1.00 0.00 C ATOM 570 CD1 LEU A 34 1.350 9.277 3.363 1.00 0.00 C ATOM 571 CD2 LEU A 34 1.866 7.075 2.369 1.00 0.00 C ATOM 0 H LEU A 34 -0.106 8.845 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.466 6.283 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.005 9.005 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.749 7.506 3.026 1.00 0.00 H new ATOM 0 HG LEU A 34 1.308 8.815 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.421 9.478 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.809 10.215 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.041 8.801 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.925 7.330 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.578 6.584 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.684 6.401 1.532 1.00 0.00 H new ATOM 583 N GLU A 35 -3.280 7.977 0.533 1.00 0.00 N ATOM 584 CA GLU A 35 -4.724 7.842 0.436 1.00 0.00 C ATOM 585 C GLU A 35 -5.145 6.746 -0.548 1.00 0.00 C ATOM 586 O GLU A 35 -6.085 6.004 -0.271 1.00 0.00 O ATOM 587 CB GLU A 35 -5.262 9.201 -0.014 1.00 0.00 C ATOM 588 CG GLU A 35 -5.690 10.069 1.167 1.00 0.00 C ATOM 589 CD GLU A 35 -7.048 9.680 1.795 1.00 0.00 C ATOM 590 OE1 GLU A 35 -7.844 8.937 1.167 1.00 0.00 O ATOM 591 OE2 GLU A 35 -7.335 10.135 2.928 1.00 0.00 O ATOM 0 H GLU A 35 -2.939 8.884 0.213 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.132 7.546 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.495 9.722 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.112 9.052 -0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.920 10.016 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.741 11.107 0.838 1.00 0.00 H new ATOM 598 N ASP A 36 -4.472 6.617 -1.692 1.00 0.00 N ATOM 599 CA ASP A 36 -4.743 5.557 -2.657 1.00 0.00 C ATOM 600 C ASP A 36 -4.391 4.173 -2.086 1.00 0.00 C ATOM 601 O ASP A 36 -5.251 3.292 -2.012 1.00 0.00 O ATOM 602 CB ASP A 36 -3.923 5.823 -3.926 1.00 0.00 C ATOM 603 CG ASP A 36 -4.432 6.954 -4.833 1.00 0.00 C ATOM 604 OD1 ASP A 36 -5.564 7.463 -4.651 1.00 0.00 O ATOM 605 OD2 ASP A 36 -3.672 7.305 -5.767 1.00 0.00 O ATOM 0 H ASP A 36 -3.722 7.248 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.808 5.557 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.899 6.054 -3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.887 4.904 -4.511 1.00 0.00 H new ATOM 610 N GLU A 37 -3.144 3.979 -1.643 1.00 0.00 N ATOM 611 CA GLU A 37 -2.665 2.679 -1.153 1.00 0.00 C ATOM 612 C GLU A 37 -3.407 2.210 0.121 1.00 0.00 C ATOM 613 O GLU A 37 -3.555 1.005 0.325 1.00 0.00 O ATOM 614 CB GLU A 37 -1.143 2.693 -0.921 1.00 0.00 C ATOM 615 CG GLU A 37 -0.239 3.141 -2.088 1.00 0.00 C ATOM 616 CD GLU A 37 -0.209 2.232 -3.330 1.00 0.00 C ATOM 617 OE1 GLU A 37 -1.007 1.269 -3.457 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.579 2.482 -4.280 1.00 0.00 O ATOM 0 H GLU A 37 -2.439 4.716 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.889 1.956 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.940 3.345 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.840 1.687 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.557 4.135 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.780 3.236 -1.712 1.00 0.00 H new ATOM 625 N GLU A 38 -3.942 3.125 0.942 1.00 0.00 N ATOM 626 CA GLU A 38 -4.822 2.791 2.075 1.00 0.00 C ATOM 627 C GLU A 38 -6.100 2.060 1.629 1.00 0.00 C ATOM 628 O GLU A 38 -6.378 0.963 2.123 1.00 0.00 O ATOM 629 CB GLU A 38 -5.198 4.063 2.857 1.00 0.00 C ATOM 630 CG GLU A 38 -4.153 4.466 3.907 1.00 0.00 C ATOM 631 CD GLU A 38 -4.352 3.702 5.231 1.00 0.00 C ATOM 632 OE1 GLU A 38 -3.817 2.578 5.382 1.00 0.00 O ATOM 633 OE2 GLU A 38 -5.044 4.227 6.138 1.00 0.00 O ATOM 0 H GLU A 38 -3.776 4.126 0.839 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.263 2.114 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.332 4.886 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.157 3.906 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.153 4.269 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.218 5.538 4.092 1.00 0.00 H new ATOM 640 N LYS A 39 -6.875 2.611 0.678 1.00 0.00 N ATOM 641 CA LYS A 39 -8.057 1.908 0.157 1.00 0.00 C ATOM 642 C LYS A 39 -7.693 0.652 -0.631 1.00 0.00 C ATOM 643 O LYS A 39 -8.407 -0.340 -0.509 1.00 0.00 O ATOM 644 CB LYS A 39 -8.959 2.831 -0.676 1.00 0.00 C ATOM 645 CG LYS A 39 -9.827 3.755 0.198 1.00 0.00 C ATOM 646 CD LYS A 39 -9.253 5.160 0.413 1.00 0.00 C ATOM 647 CE LYS A 39 -9.421 6.000 -0.862 1.00 0.00 C ATOM 648 NZ LYS A 39 -8.550 7.196 -0.843 1.00 0.00 N ATOM 0 H LYS A 39 -6.707 3.527 0.261 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.623 1.589 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.340 3.438 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.605 2.225 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.812 3.846 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.970 3.283 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.761 5.645 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.198 5.094 0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.185 5.390 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.462 6.308 -0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.819 7.833 -1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.660 7.691 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.558 6.905 -0.961 1.00 0.00 H new ATOM 662 N HIS A 40 -6.571 0.630 -1.361 1.00 0.00 N ATOM 663 CA HIS A 40 -6.122 -0.549 -2.106 1.00 0.00 C ATOM 664 C HIS A 40 -6.012 -1.808 -1.240 1.00 0.00 C ATOM 665 O HIS A 40 -6.392 -2.875 -1.698 1.00 0.00 O ATOM 666 CB HIS A 40 -4.745 -0.301 -2.725 1.00 0.00 C ATOM 667 CG HIS A 40 -4.620 0.655 -3.882 1.00 0.00 C ATOM 668 ND1 HIS A 40 -3.449 0.814 -4.640 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.586 1.484 -4.369 1.00 0.00 C ATOM 670 CE1 HIS A 40 -3.751 1.766 -5.552 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.022 2.173 -5.415 1.00 0.00 N ATOM 0 H HIS A 40 -5.948 1.433 -1.451 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.882 -0.715 -2.870 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.089 0.057 -1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.354 -1.265 -3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.598 1.580 -4.004 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.062 2.147 -6.291 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.490 2.874 -5.989 1.00 0.00 H new ATOM 679 N ILE A 41 -5.497 -1.684 -0.013 1.00 0.00 N ATOM 680 CA ILE A 41 -5.158 -2.769 0.924 1.00 0.00 C ATOM 681 C ILE A 41 -6.388 -3.180 1.762 1.00 0.00 C ATOM 682 O ILE A 41 -6.559 -4.352 2.094 1.00 0.00 O ATOM 683 CB ILE A 41 -3.930 -2.330 1.778 1.00 0.00 C ATOM 684 CG1 ILE A 41 -2.831 -3.411 1.860 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.265 -1.775 3.174 1.00 0.00 C ATOM 686 CD1 ILE A 41 -3.168 -4.667 2.670 1.00 0.00 C ATOM 0 H ILE A 41 -5.291 -0.766 0.381 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.872 -3.669 0.380 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.531 -1.485 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.577 -3.717 0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.938 -2.958 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.343 -1.499 3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.902 -0.896 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.788 -2.537 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.318 -5.350 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.388 -4.387 3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.038 -5.159 2.234 1.00 0.00 H new ATOM 698 N GLU A 42 -7.305 -2.243 2.027 1.00 0.00 N ATOM 699 CA GLU A 42 -8.650 -2.542 2.542 1.00 0.00 C ATOM 700 C GLU A 42 -9.450 -3.362 1.511 1.00 0.00 C ATOM 701 O GLU A 42 -10.013 -4.415 1.832 1.00 0.00 O ATOM 702 CB GLU A 42 -9.358 -1.215 2.877 1.00 0.00 C ATOM 703 CG GLU A 42 -10.676 -1.382 3.644 1.00 0.00 C ATOM 704 CD GLU A 42 -10.440 -1.746 5.123 1.00 0.00 C ATOM 705 OE1 GLU A 42 -10.346 -2.952 5.453 1.00 0.00 O ATOM 706 OE2 GLU A 42 -10.356 -0.824 5.973 1.00 0.00 O ATOM 0 H GLU A 42 -7.135 -1.247 1.890 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.577 -3.144 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.683 -0.595 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.556 -0.677 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.250 -0.457 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.275 -2.159 3.170 1.00 0.00 H new ATOM 713 N TRP A 43 -9.432 -2.934 0.245 1.00 0.00 N ATOM 714 CA TRP A 43 -9.979 -3.697 -0.876 1.00 0.00 C ATOM 715 C TRP A 43 -9.227 -5.017 -1.109 1.00 0.00 C ATOM 716 O TRP A 43 -9.869 -6.008 -1.443 1.00 0.00 O ATOM 717 CB TRP A 43 -10.013 -2.831 -2.146 1.00 0.00 C ATOM 718 CG TRP A 43 -10.883 -1.604 -2.092 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.060 -1.491 -1.432 1.00 0.00 C ATOM 720 CD2 TRP A 43 -10.676 -0.306 -2.742 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.592 -0.230 -1.628 1.00 0.00 N ATOM 722 CE2 TRP A 43 -11.786 0.539 -2.436 1.00 0.00 C ATOM 723 CE3 TRP A 43 -9.675 0.241 -3.576 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -11.902 1.846 -2.934 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -9.781 1.550 -4.088 1.00 0.00 C ATOM 726 CH2 TRP A 43 -10.892 2.352 -3.770 1.00 0.00 C ATOM 0 H TRP A 43 -9.032 -2.037 -0.031 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.002 -3.972 -0.619 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.994 -2.518 -2.375 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.349 -3.453 -2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.516 -2.271 -0.840 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.472 0.090 -1.224 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.811 -0.356 -3.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.756 2.455 -2.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.004 1.940 -4.729 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.969 3.353 -4.167 1.00 0.00 H new ATOM 737 N LEU A 44 -7.910 -5.082 -0.872 1.00 0.00 N ATOM 738 CA LEU A 44 -7.113 -6.315 -0.983 1.00 0.00 C ATOM 739 C LEU A 44 -7.625 -7.437 -0.067 1.00 0.00 C ATOM 740 O LEU A 44 -7.895 -8.551 -0.516 1.00 0.00 O ATOM 741 CB LEU A 44 -5.673 -5.936 -0.622 1.00 0.00 C ATOM 742 CG LEU A 44 -4.546 -6.750 -1.220 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.241 -6.110 -0.778 1.00 0.00 C ATOM 744 CD2 LEU A 44 -4.565 -8.235 -0.875 1.00 0.00 C ATOM 0 H LEU A 44 -7.359 -4.270 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.186 -6.711 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.521 -4.896 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.579 -5.984 0.463 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.667 -6.732 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.403 -6.671 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.201 -5.081 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.182 -6.118 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.718 -8.730 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.497 -8.358 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.493 -8.680 -1.233 1.00 0.00 H new ATOM 756 N GLU A 45 -7.806 -7.124 1.216 1.00 0.00 N ATOM 757 CA GLU A 45 -8.414 -8.038 2.194 1.00 0.00 C ATOM 758 C GLU A 45 -9.855 -8.413 1.807 1.00 0.00 C ATOM 759 O GLU A 45 -10.231 -9.586 1.838 1.00 0.00 O ATOM 760 CB GLU A 45 -8.384 -7.400 3.591 1.00 0.00 C ATOM 761 CG GLU A 45 -8.642 -8.447 4.683 1.00 0.00 C ATOM 762 CD GLU A 45 -8.603 -7.826 6.093 1.00 0.00 C ATOM 763 OE1 GLU A 45 -7.509 -7.764 6.706 1.00 0.00 O ATOM 764 OE2 GLU A 45 -9.672 -7.421 6.613 1.00 0.00 O ATOM 0 H GLU A 45 -7.534 -6.224 1.613 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.830 -8.958 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.416 -6.928 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.137 -6.614 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.614 -8.912 4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.894 -9.237 4.613 1.00 0.00 H new ATOM 771 N THR A 46 -10.645 -7.427 1.369 1.00 0.00 N ATOM 772 CA THR A 46 -12.012 -7.641 0.848 1.00 0.00 C ATOM 773 C THR A 46 -12.038 -8.609 -0.347 1.00 0.00 C ATOM 774 O THR A 46 -12.952 -9.427 -0.465 1.00 0.00 O ATOM 775 CB THR A 46 -12.687 -6.308 0.475 1.00 0.00 C ATOM 776 OG1 THR A 46 -12.689 -5.419 1.575 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.150 -6.466 0.059 1.00 0.00 C ATOM 0 H THR A 46 -10.358 -6.448 1.363 1.00 0.00 H new ATOM 0 HA THR A 46 -12.580 -8.102 1.656 1.00 0.00 H new ATOM 0 HB THR A 46 -12.104 -5.926 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.789 -5.052 1.701 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.565 -5.489 -0.190 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.212 -7.120 -0.811 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.717 -6.902 0.882 1.00 0.00 H new ATOM 785 N ILE A 47 -11.004 -8.598 -1.197 1.00 0.00 N ATOM 786 CA ILE A 47 -10.820 -9.508 -2.345 1.00 0.00 C ATOM 787 C ILE A 47 -10.629 -10.992 -1.964 1.00 0.00 C ATOM 788 O ILE A 47 -10.736 -11.881 -2.811 1.00 0.00 O ATOM 789 CB ILE A 47 -9.738 -8.920 -3.303 1.00 0.00 C ATOM 790 CG1 ILE A 47 -10.369 -8.371 -4.599 1.00 0.00 C ATOM 791 CG2 ILE A 47 -8.580 -9.861 -3.677 1.00 0.00 C ATOM 792 CD1 ILE A 47 -11.257 -7.138 -4.386 1.00 0.00 C ATOM 0 H ILE A 47 -10.239 -7.930 -1.104 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.757 -9.551 -2.900 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.296 -8.120 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.573 -8.117 -5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.963 -9.158 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.892 -9.344 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.050 -10.163 -2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.976 -10.745 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.663 -6.812 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.075 -7.391 -3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.664 -6.333 -3.951 1.00 0.00 H new ATOM 804 N ASN A 48 -10.448 -11.268 -0.672 1.00 0.00 N ATOM 805 CA ASN A 48 -10.355 -12.611 -0.081 1.00 0.00 C ATOM 806 C ASN A 48 -11.634 -13.054 0.673 1.00 0.00 C ATOM 807 O ASN A 48 -11.747 -14.220 1.064 1.00 0.00 O ATOM 808 CB ASN A 48 -9.114 -12.648 0.834 1.00 0.00 C ATOM 809 CG ASN A 48 -8.711 -14.057 1.253 1.00 0.00 C ATOM 810 OD1 ASN A 48 -8.728 -15.004 0.479 1.00 0.00 O ATOM 811 ND2 ASN A 48 -8.314 -14.244 2.493 1.00 0.00 N ATOM 0 H ASN A 48 -10.358 -10.530 0.026 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.254 -13.333 -0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.277 -12.177 0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.312 -12.055 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.024 -15.172 2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.296 -13.461 3.146 1.00 0.00 H new ATOM 858 N TYR B 3 15.708 5.658 -2.678 1.00 0.00 N ATOM 859 CA TYR B 3 14.455 5.028 -2.229 1.00 0.00 C ATOM 860 C TYR B 3 13.534 4.732 -3.424 1.00 0.00 C ATOM 861 O TYR B 3 12.916 3.671 -3.501 1.00 0.00 O ATOM 862 CB TYR B 3 13.729 5.953 -1.224 1.00 0.00 C ATOM 863 CG TYR B 3 13.443 7.356 -1.744 1.00 0.00 C ATOM 864 CD1 TYR B 3 14.449 8.340 -1.683 1.00 0.00 C ATOM 865 CD2 TYR B 3 12.206 7.656 -2.351 1.00 0.00 C ATOM 866 CE1 TYR B 3 14.249 9.598 -2.281 1.00 0.00 C ATOM 867 CE2 TYR B 3 12.000 8.916 -2.947 1.00 0.00 C ATOM 868 CZ TYR B 3 13.029 9.882 -2.930 1.00 0.00 C ATOM 869 OH TYR B 3 12.852 11.076 -3.557 1.00 0.00 O ATOM 0 HA TYR B 3 14.701 4.085 -1.740 1.00 0.00 H new ATOM 0 HB2 TYR B 3 12.786 5.487 -0.937 1.00 0.00 H new ATOM 0 HB3 TYR B 3 14.334 6.031 -0.320 1.00 0.00 H new ATOM 0 HD1 TYR B 3 15.378 8.128 -1.175 1.00 0.00 H new ATOM 0 HD2 TYR B 3 11.416 6.920 -2.359 1.00 0.00 H new ATOM 0 HE1 TYR B 3 15.028 10.345 -2.243 1.00 0.00 H new ATOM 0 HE2 TYR B 3 11.054 9.143 -3.417 1.00 0.00 H new ATOM 0 HH TYR B 3 13.715 11.404 -3.886 1.00 0.00 H new ATOM 879 N LEU B 4 13.475 5.651 -4.396 1.00 0.00 N ATOM 880 CA LEU B 4 12.607 5.580 -5.563 1.00 0.00 C ATOM 881 C LEU B 4 12.841 4.358 -6.470 1.00 0.00 C ATOM 882 O LEU B 4 11.895 3.876 -7.085 1.00 0.00 O ATOM 883 CB LEU B 4 12.665 6.943 -6.267 1.00 0.00 C ATOM 884 CG LEU B 4 13.990 7.239 -6.984 1.00 0.00 C ATOM 885 CD1 LEU B 4 13.934 6.858 -8.464 1.00 0.00 C ATOM 886 CD2 LEU B 4 14.344 8.722 -6.878 1.00 0.00 C ATOM 0 H LEU B 4 14.053 6.491 -4.385 1.00 0.00 H new ATOM 0 HA LEU B 4 11.582 5.394 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.855 6.996 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU B 4 12.484 7.725 -5.530 1.00 0.00 H new ATOM 0 HG LEU B 4 14.753 6.636 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU B 4 14.891 7.083 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU B 4 13.726 5.792 -8.558 1.00 0.00 H new ATOM 0 HD13 LEU B 4 13.145 7.426 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU B 4 15.286 8.909 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU B 4 13.555 9.318 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU B 4 14.443 8.998 -5.828 1.00 0.00 H new ATOM 898 N ARG B 5 14.055 3.787 -6.511 1.00 0.00 N ATOM 899 CA ARG B 5 14.306 2.512 -7.214 1.00 0.00 C ATOM 900 C ARG B 5 13.549 1.350 -6.580 1.00 0.00 C ATOM 901 O ARG B 5 12.961 0.556 -7.308 1.00 0.00 O ATOM 902 CB ARG B 5 15.814 2.183 -7.259 1.00 0.00 C ATOM 903 CG ARG B 5 16.576 2.781 -8.453 1.00 0.00 C ATOM 904 CD ARG B 5 16.685 4.309 -8.416 1.00 0.00 C ATOM 905 NE ARG B 5 17.526 4.813 -9.521 1.00 0.00 N ATOM 906 CZ ARG B 5 17.159 5.067 -10.766 1.00 0.00 C ATOM 907 NH1 ARG B 5 15.932 4.916 -11.180 1.00 0.00 N ATOM 908 NH2 ARG B 5 18.036 5.479 -11.635 1.00 0.00 N ATOM 0 H ARG B 5 14.881 4.186 -6.066 1.00 0.00 H new ATOM 0 HA ARG B 5 13.940 2.644 -8.232 1.00 0.00 H new ATOM 0 HB2 ARG B 5 16.276 2.539 -6.338 1.00 0.00 H new ATOM 0 HB3 ARG B 5 15.933 1.100 -7.277 1.00 0.00 H new ATOM 0 HG2 ARG B 5 17.579 2.355 -8.482 1.00 0.00 H new ATOM 0 HG3 ARG B 5 16.077 2.484 -9.376 1.00 0.00 H new ATOM 0 HD2 ARG B 5 15.690 4.749 -8.484 1.00 0.00 H new ATOM 0 HD3 ARG B 5 17.108 4.623 -7.462 1.00 0.00 H new ATOM 0 HE ARG B 5 18.506 4.986 -9.297 1.00 0.00 H new ATOM 0 HH11 ARG B 5 15.212 4.590 -10.535 1.00 0.00 H new ATOM 0 HH12 ARG B 5 15.692 5.123 -12.149 1.00 0.00 H new ATOM 0 HH21 ARG B 5 19.009 5.607 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG B 5 17.750 5.674 -12.595 1.00 0.00 H new ATOM 922 N GLU B 6 13.521 1.247 -5.253 1.00 0.00 N ATOM 923 CA GLU B 6 12.754 0.240 -4.546 1.00 0.00 C ATOM 924 C GLU B 6 11.245 0.464 -4.707 1.00 0.00 C ATOM 925 O GLU B 6 10.520 -0.510 -4.879 1.00 0.00 O ATOM 926 CB GLU B 6 13.189 0.273 -3.078 1.00 0.00 C ATOM 927 CG GLU B 6 14.460 -0.553 -2.844 1.00 0.00 C ATOM 928 CD GLU B 6 14.815 -0.620 -1.346 1.00 0.00 C ATOM 929 OE1 GLU B 6 15.513 0.291 -0.840 1.00 0.00 O ATOM 930 OE2 GLU B 6 14.416 -1.599 -0.669 1.00 0.00 O ATOM 0 H GLU B 6 14.040 1.872 -4.636 1.00 0.00 H new ATOM 0 HA GLU B 6 12.949 -0.747 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.364 1.305 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.384 -0.112 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU B 6 14.318 -1.562 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.290 -0.113 -3.397 1.00 0.00 H new ATOM 937 N LEU B 7 10.766 1.715 -4.761 1.00 0.00 N ATOM 938 CA LEU B 7 9.375 2.001 -5.137 1.00 0.00 C ATOM 939 C LEU B 7 9.065 1.488 -6.549 1.00 0.00 C ATOM 940 O LEU B 7 8.114 0.731 -6.721 1.00 0.00 O ATOM 941 CB LEU B 7 9.075 3.505 -5.036 1.00 0.00 C ATOM 942 CG LEU B 7 9.272 4.177 -3.669 1.00 0.00 C ATOM 943 CD1 LEU B 7 8.928 5.664 -3.769 1.00 0.00 C ATOM 944 CD2 LEU B 7 8.389 3.559 -2.593 1.00 0.00 C ATOM 0 H LEU B 7 11.321 2.544 -4.549 1.00 0.00 H new ATOM 0 HA LEU B 7 8.730 1.474 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.705 4.023 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.041 3.663 -5.343 1.00 0.00 H new ATOM 0 HG LEU B 7 10.316 4.033 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU B 7 9.069 6.136 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU B 7 9.580 6.140 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.889 5.777 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU B 7 8.563 4.066 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.342 3.667 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.630 2.501 -2.488 1.00 0.00 H new ATOM 956 N TYR B 8 9.879 1.834 -7.551 1.00 0.00 N ATOM 957 CA TYR B 8 9.717 1.348 -8.928 1.00 0.00 C ATOM 958 C TYR B 8 9.661 -0.180 -9.005 1.00 0.00 C ATOM 959 O TYR B 8 8.709 -0.755 -9.538 1.00 0.00 O ATOM 960 CB TYR B 8 10.864 1.899 -9.786 1.00 0.00 C ATOM 961 CG TYR B 8 10.507 2.126 -11.245 1.00 0.00 C ATOM 962 CD1 TYR B 8 10.424 1.030 -12.127 1.00 0.00 C ATOM 963 CD2 TYR B 8 10.249 3.427 -11.722 1.00 0.00 C ATOM 964 CE1 TYR B 8 10.067 1.226 -13.474 1.00 0.00 C ATOM 965 CE2 TYR B 8 9.882 3.628 -13.067 1.00 0.00 C ATOM 966 CZ TYR B 8 9.785 2.528 -13.947 1.00 0.00 C ATOM 967 OH TYR B 8 9.423 2.727 -15.245 1.00 0.00 O ATOM 0 H TYR B 8 10.673 2.462 -7.431 1.00 0.00 H new ATOM 0 HA TYR B 8 8.761 1.707 -9.310 1.00 0.00 H new ATOM 0 HB2 TYR B 8 11.201 2.842 -9.357 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.704 1.207 -9.734 1.00 0.00 H new ATOM 0 HD1 TYR B 8 10.636 0.034 -11.767 1.00 0.00 H new ATOM 0 HD2 TYR B 8 10.333 4.272 -11.055 1.00 0.00 H new ATOM 0 HE1 TYR B 8 10.009 0.382 -14.146 1.00 0.00 H new ATOM 0 HE2 TYR B 8 9.674 4.625 -13.426 1.00 0.00 H new ATOM 0 HH TYR B 8 9.265 3.682 -15.398 1.00 0.00 H new ATOM 977 N LYS B 9 10.654 -0.833 -8.395 1.00 0.00 N ATOM 978 CA LYS B 9 10.751 -2.304 -8.296 1.00 0.00 C ATOM 979 C LYS B 9 9.707 -2.980 -7.389 1.00 0.00 C ATOM 980 O LYS B 9 9.676 -4.209 -7.326 1.00 0.00 O ATOM 981 CB LYS B 9 12.196 -2.752 -7.972 1.00 0.00 C ATOM 982 CG LYS B 9 13.042 -3.007 -9.236 1.00 0.00 C ATOM 983 CD LYS B 9 13.570 -1.750 -9.951 1.00 0.00 C ATOM 984 CE LYS B 9 14.745 -1.085 -9.217 1.00 0.00 C ATOM 985 NZ LYS B 9 16.006 -1.867 -9.340 1.00 0.00 N ATOM 0 H LYS B 9 11.432 -0.350 -7.945 1.00 0.00 H new ATOM 0 HA LYS B 9 10.493 -2.667 -9.291 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.681 -1.988 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.163 -3.662 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.893 -3.631 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.442 -3.580 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.885 -2.019 -10.959 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.758 -1.029 -10.052 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.901 -0.084 -9.618 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.493 -0.970 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.787 -1.338 -8.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.895 -2.782 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 16.218 -2.028 -10.345 1.00 0.00 H new ATOM 999 N LEU B 10 8.803 -2.218 -6.772 1.00 0.00 N ATOM 1000 CA LEU B 10 7.596 -2.729 -6.105 1.00 0.00 C ATOM 1001 C LEU B 10 6.317 -2.396 -6.892 1.00 0.00 C ATOM 1002 O LEU B 10 5.447 -3.253 -7.008 1.00 0.00 O ATOM 1003 CB LEU B 10 7.522 -2.169 -4.672 1.00 0.00 C ATOM 1004 CG LEU B 10 8.588 -2.727 -3.706 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.595 -1.900 -2.423 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.321 -4.181 -3.323 1.00 0.00 C ATOM 0 H LEU B 10 8.888 -1.203 -6.719 1.00 0.00 H new ATOM 0 HA LEU B 10 7.665 -3.816 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.622 -1.084 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.534 -2.382 -4.264 1.00 0.00 H new ATOM 0 HG LEU B 10 9.546 -2.673 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.348 -2.294 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.828 -0.862 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.614 -1.953 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU B 10 9.099 -4.527 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.350 -4.256 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.323 -4.800 -4.220 1.00 0.00 H new ATOM 1018 N GLU B 11 6.201 -1.204 -7.487 1.00 0.00 N ATOM 1019 CA GLU B 11 4.997 -0.767 -8.212 1.00 0.00 C ATOM 1020 C GLU B 11 4.831 -1.479 -9.571 1.00 0.00 C ATOM 1021 O GLU B 11 3.715 -1.851 -9.930 1.00 0.00 O ATOM 1022 CB GLU B 11 5.035 0.763 -8.399 1.00 0.00 C ATOM 1023 CG GLU B 11 4.893 1.561 -7.087 1.00 0.00 C ATOM 1024 CD GLU B 11 3.433 1.799 -6.675 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.676 2.644 -7.181 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.822 1.274 -5.726 1.00 0.00 O ATOM 0 H GLU B 11 6.946 -0.507 -7.480 1.00 0.00 H new ATOM 0 HA GLU B 11 4.130 -1.043 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.975 1.037 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.234 1.055 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.406 1.026 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.393 2.523 -7.199 1.00 0.00 H new ATOM 1033 N GLN B 12 5.922 -1.734 -10.309 1.00 0.00 N ATOM 1034 CA GLN B 12 5.915 -2.542 -11.536 1.00 0.00 C ATOM 1035 C GLN B 12 5.814 -4.050 -11.261 1.00 0.00 C ATOM 1036 O GLN B 12 5.263 -4.798 -12.071 1.00 0.00 O ATOM 1037 CB GLN B 12 7.187 -2.232 -12.341 1.00 0.00 C ATOM 1038 CG GLN B 12 6.849 -1.523 -13.650 1.00 0.00 C ATOM 1039 CD GLN B 12 6.283 -2.463 -14.713 1.00 0.00 C ATOM 1040 OE1 GLN B 12 5.079 -2.599 -14.884 1.00 0.00 O ATOM 1041 NE2 GLN B 12 7.118 -3.148 -15.467 1.00 0.00 N ATOM 0 H GLN B 12 6.847 -1.379 -10.066 1.00 0.00 H new ATOM 0 HA GLN B 12 5.025 -2.275 -12.105 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.854 -1.607 -11.747 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.722 -3.158 -12.553 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.126 -0.732 -13.451 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.747 -1.044 -14.039 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.124 -3.045 -15.337 1.00 0.00 H new ATOM 0 HE22 GLN B 12 6.758 -3.781 -16.181 1.00 0.00 H new ATOM 1050 N GLN B 13 6.312 -4.505 -10.108 1.00 0.00 N ATOM 1051 CA GLN B 13 6.067 -5.858 -9.612 1.00 0.00 C ATOM 1052 C GLN B 13 4.571 -6.058 -9.330 1.00 0.00 C ATOM 1053 O GLN B 13 3.960 -6.975 -9.873 1.00 0.00 O ATOM 1054 CB GLN B 13 6.946 -6.118 -8.391 1.00 0.00 C ATOM 1055 CG GLN B 13 8.140 -7.038 -8.691 1.00 0.00 C ATOM 1056 CD GLN B 13 7.751 -8.481 -9.031 1.00 0.00 C ATOM 1057 OE1 GLN B 13 6.730 -9.009 -8.611 1.00 0.00 O ATOM 1058 NE2 GLN B 13 8.549 -9.178 -9.813 1.00 0.00 N ATOM 0 H GLN B 13 6.898 -3.942 -9.492 1.00 0.00 H new ATOM 0 HA GLN B 13 6.339 -6.593 -10.370 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.316 -5.167 -8.008 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.340 -6.565 -7.603 1.00 0.00 H new ATOM 0 HG2 GLN B 13 8.706 -6.620 -9.524 1.00 0.00 H new ATOM 0 HG3 GLN B 13 8.804 -7.047 -7.827 1.00 0.00 H new ATOM 0 HE21 GLN B 13 9.405 -8.757 -10.174 1.00 0.00 H new ATOM 0 HE22 GLN B 13 8.311 -10.139 -10.058 1.00 0.00 H new ATOM 1067 N ALA B 14 3.950 -5.129 -8.595 1.00 0.00 N ATOM 1068 CA ALA B 14 2.509 -5.030 -8.346 1.00 0.00 C ATOM 1069 C ALA B 14 1.704 -4.566 -9.589 1.00 0.00 C ATOM 1070 O ALA B 14 0.835 -3.696 -9.501 1.00 0.00 O ATOM 1071 CB ALA B 14 2.306 -4.115 -7.126 1.00 0.00 C ATOM 0 H ALA B 14 4.470 -4.384 -8.132 1.00 0.00 H new ATOM 0 HA ALA B 14 2.110 -6.022 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.241 -4.021 -6.915 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.811 -4.545 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.722 -3.130 -7.337 1.00 0.00 H new ATOM 1077 N MET B 15 1.991 -5.157 -10.754 1.00 0.00 N ATOM 1078 CA MET B 15 1.314 -4.886 -12.023 1.00 0.00 C ATOM 1079 C MET B 15 1.289 -6.110 -12.933 1.00 0.00 C ATOM 1080 O MET B 15 0.211 -6.469 -13.403 1.00 0.00 O ATOM 1081 CB MET B 15 1.996 -3.698 -12.729 1.00 0.00 C ATOM 1082 CG MET B 15 1.332 -3.303 -14.055 1.00 0.00 C ATOM 1083 SD MET B 15 -0.445 -2.938 -13.984 1.00 0.00 S ATOM 1084 CE MET B 15 -0.438 -1.706 -12.657 1.00 0.00 C ATOM 0 H MET B 15 2.725 -5.860 -10.840 1.00 0.00 H new ATOM 0 HA MET B 15 0.277 -4.633 -11.804 1.00 0.00 H new ATOM 0 HB2 MET B 15 1.990 -2.838 -12.060 1.00 0.00 H new ATOM 0 HB3 MET B 15 3.040 -3.949 -12.917 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.846 -2.426 -14.448 1.00 0.00 H new ATOM 0 HG3 MET B 15 1.488 -4.111 -14.770 1.00 0.00 H new ATOM 0 HE1 MET B 15 -1.257 -1.003 -12.809 1.00 0.00 H new ATOM 0 HE2 MET B 15 -0.562 -2.205 -11.696 1.00 0.00 H new ATOM 0 HE3 MET B 15 0.509 -1.167 -12.666 1.00 0.00 H new ATOM 1094 N LYS B 16 2.426 -6.796 -13.128 1.00 0.00 N ATOM 1095 CA LYS B 16 2.512 -7.988 -13.994 1.00 0.00 C ATOM 1096 C LYS B 16 1.485 -9.065 -13.621 1.00 0.00 C ATOM 1097 O LYS B 16 0.802 -9.586 -14.500 1.00 0.00 O ATOM 1098 CB LYS B 16 3.959 -8.517 -13.985 1.00 0.00 C ATOM 1099 CG LYS B 16 4.134 -9.758 -14.879 1.00 0.00 C ATOM 1100 CD LYS B 16 5.608 -10.152 -15.081 1.00 0.00 C ATOM 1101 CE LYS B 16 6.378 -9.220 -16.032 1.00 0.00 C ATOM 1102 NZ LYS B 16 5.968 -9.397 -17.452 1.00 0.00 N ATOM 0 H LYS B 16 3.312 -6.542 -12.691 1.00 0.00 H new ATOM 0 HA LYS B 16 2.254 -7.698 -15.013 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.633 -7.730 -14.324 1.00 0.00 H new ATOM 0 HB3 LYS B 16 4.246 -8.765 -12.963 1.00 0.00 H new ATOM 0 HG2 LYS B 16 3.597 -10.597 -14.436 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.679 -9.566 -15.851 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.108 -10.160 -14.112 1.00 0.00 H new ATOM 0 HD3 LYS B 16 5.652 -11.169 -15.471 1.00 0.00 H new ATOM 0 HE2 LYS B 16 6.213 -8.184 -15.735 1.00 0.00 H new ATOM 0 HE3 LYS B 16 7.447 -9.412 -15.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 6.514 -8.748 -18.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 6.150 -10.378 -17.746 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 4.954 -9.189 -17.549 1.00 0.00 H new ATOM 1116 N LEU B 17 1.332 -9.351 -12.324 1.00 0.00 N ATOM 1117 CA LEU B 17 0.341 -10.290 -11.798 1.00 0.00 C ATOM 1118 C LEU B 17 -1.001 -9.609 -11.530 1.00 0.00 C ATOM 1119 O LEU B 17 -2.057 -10.208 -11.720 1.00 0.00 O ATOM 1120 CB LEU B 17 0.820 -10.920 -10.479 1.00 0.00 C ATOM 1121 CG LEU B 17 2.334 -11.053 -10.298 1.00 0.00 C ATOM 1122 CD1 LEU B 17 2.853 -9.883 -9.466 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.702 -12.355 -9.596 1.00 0.00 C ATOM 0 H LEU B 17 1.907 -8.926 -11.597 1.00 0.00 H new ATOM 0 HA LEU B 17 0.215 -11.058 -12.561 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.428 -10.325 -9.654 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.377 -11.912 -10.394 1.00 0.00 H new ATOM 0 HG LEU B 17 2.789 -11.052 -11.288 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.931 -9.978 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.630 -8.946 -9.976 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.369 -9.888 -8.489 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.785 -12.415 -9.485 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.234 -12.383 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.351 -13.200 -10.189 1.00 0.00 H new ATOM 1135 N TYR B 18 -0.935 -8.351 -11.080 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.101 -7.563 -10.667 1.00 0.00 C ATOM 1137 C TYR B 18 -3.105 -7.436 -11.824 1.00 0.00 C ATOM 1138 O TYR B 18 -4.296 -7.707 -11.650 1.00 0.00 O ATOM 1139 CB TYR B 18 -1.640 -6.189 -10.136 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.301 -5.734 -8.843 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.702 -5.644 -8.748 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.508 -5.394 -7.729 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -4.307 -5.257 -7.535 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -2.104 -4.994 -6.518 1.00 0.00 C ATOM 1145 CZ TYR B 18 -3.510 -4.939 -6.414 1.00 0.00 C ATOM 1146 OH TYR B 18 -4.097 -4.576 -5.240 1.00 0.00 O ATOM 0 H TYR B 18 -0.055 -7.844 -10.991 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.619 -8.075 -9.856 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.562 -6.222 -9.981 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -1.829 -5.439 -10.904 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.316 -5.872 -9.607 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.432 -5.441 -7.805 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -5.383 -5.204 -7.463 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.487 -4.730 -5.672 1.00 0.00 H new ATOM 0 HH TYR B 18 -3.405 -4.392 -4.571 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.615 -7.109 -13.032 1.00 0.00 N ATOM 1157 CA ARG B 19 -3.437 -7.088 -14.257 1.00 0.00 C ATOM 1158 C ARG B 19 -3.910 -8.467 -14.747 1.00 0.00 C ATOM 1159 O ARG B 19 -4.965 -8.558 -15.372 1.00 0.00 O ATOM 1160 CB ARG B 19 -2.706 -6.301 -15.360 1.00 0.00 C ATOM 1161 CG ARG B 19 -1.595 -7.084 -16.077 1.00 0.00 C ATOM 1162 CD ARG B 19 -0.719 -6.129 -16.894 1.00 0.00 C ATOM 1163 NE ARG B 19 0.249 -6.863 -17.731 1.00 0.00 N ATOM 1164 CZ ARG B 19 1.149 -6.330 -18.537 1.00 0.00 C ATOM 1165 NH1 ARG B 19 1.324 -5.040 -18.626 1.00 0.00 N ATOM 1166 NH2 ARG B 19 1.898 -7.089 -19.283 1.00 0.00 N ATOM 0 H ARG B 19 -1.640 -6.852 -13.188 1.00 0.00 H new ATOM 0 HA ARG B 19 -4.363 -6.577 -13.995 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -3.437 -5.974 -16.100 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -2.273 -5.402 -14.921 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.984 -7.615 -15.347 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -2.035 -7.836 -16.732 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -1.351 -5.507 -17.528 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -0.184 -5.459 -16.221 1.00 0.00 H new ATOM 0 HE ARG B 19 0.220 -7.881 -17.682 1.00 0.00 H new ATOM 0 HH11 ARG B 19 0.756 -4.408 -18.062 1.00 0.00 H new ATOM 0 HH12 ARG B 19 2.029 -4.663 -19.260 1.00 0.00 H new ATOM 0 HH21 ARG B 19 1.792 -8.103 -19.248 1.00 0.00 H new ATOM 0 HH22 ARG B 19 2.591 -6.670 -19.903 1.00 0.00 H new ATOM 1180 N GLU B 20 -3.155 -9.534 -14.472 1.00 0.00 N ATOM 1181 CA GLU B 20 -3.429 -10.893 -14.970 1.00 0.00 C ATOM 1182 C GLU B 20 -4.589 -11.561 -14.220 1.00 0.00 C ATOM 1183 O GLU B 20 -5.589 -11.977 -14.810 1.00 0.00 O ATOM 1184 CB GLU B 20 -2.159 -11.747 -14.793 1.00 0.00 C ATOM 1185 CG GLU B 20 -2.143 -13.039 -15.621 1.00 0.00 C ATOM 1186 CD GLU B 20 -2.013 -12.768 -17.133 1.00 0.00 C ATOM 1187 OE1 GLU B 20 -0.869 -12.666 -17.640 1.00 0.00 O ATOM 1188 OE2 GLU B 20 -3.053 -12.669 -17.828 1.00 0.00 O ATOM 0 H GLU B 20 -2.321 -9.481 -13.887 1.00 0.00 H new ATOM 0 HA GLU B 20 -3.713 -10.818 -16.020 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -1.291 -11.146 -15.064 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -2.053 -12.004 -13.739 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.313 -13.666 -15.295 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -3.059 -13.599 -15.433 1.00 0.00 H new ATOM 1195 N ALA B 21 -4.451 -11.637 -12.896 1.00 0.00 N ATOM 1196 CA ALA B 21 -5.401 -12.300 -11.995 1.00 0.00 C ATOM 1197 C ALA B 21 -6.793 -11.645 -11.947 1.00 0.00 C ATOM 1198 O ALA B 21 -7.767 -12.305 -11.585 1.00 0.00 O ATOM 1199 CB ALA B 21 -4.781 -12.350 -10.598 1.00 0.00 C ATOM 0 H ALA B 21 -3.655 -11.229 -12.405 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.577 -13.302 -12.387 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -5.471 -12.840 -9.911 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.847 -12.910 -10.634 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -4.583 -11.336 -10.252 1.00 0.00 H new ATOM 1205 N SER B 22 -6.902 -10.372 -12.339 1.00 0.00 N ATOM 1206 CA SER B 22 -8.151 -9.599 -12.340 1.00 0.00 C ATOM 1207 C SER B 22 -9.317 -10.305 -13.035 1.00 0.00 C ATOM 1208 O SER B 22 -10.415 -10.400 -12.486 1.00 0.00 O ATOM 1209 CB SER B 22 -7.892 -8.261 -13.033 1.00 0.00 C ATOM 1210 OG SER B 22 -8.851 -7.298 -12.639 1.00 0.00 O ATOM 0 H SER B 22 -6.102 -9.834 -12.674 1.00 0.00 H new ATOM 0 HA SER B 22 -8.447 -9.470 -11.299 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.891 -7.906 -12.787 1.00 0.00 H new ATOM 0 HB3 SER B 22 -7.926 -8.394 -14.114 1.00 0.00 H new ATOM 0 HG SER B 22 -8.667 -6.449 -13.092 1.00 0.00 H new ATOM 1216 N GLU B 23 -9.065 -10.859 -14.223 1.00 0.00 N ATOM 1217 CA GLU B 23 -10.081 -11.577 -15.011 1.00 0.00 C ATOM 1218 C GLU B 23 -10.588 -12.865 -14.324 1.00 0.00 C ATOM 1219 O GLU B 23 -11.778 -13.180 -14.409 1.00 0.00 O ATOM 1220 CB GLU B 23 -9.523 -11.871 -16.414 1.00 0.00 C ATOM 1221 CG GLU B 23 -10.606 -12.386 -17.373 1.00 0.00 C ATOM 1222 CD GLU B 23 -10.064 -12.533 -18.806 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -9.541 -13.620 -19.155 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -10.171 -11.569 -19.604 1.00 0.00 O ATOM 0 H GLU B 23 -8.149 -10.825 -14.671 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.954 -10.930 -15.092 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -9.079 -10.964 -16.824 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -8.726 -12.610 -16.338 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -10.977 -13.349 -17.022 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -11.452 -11.699 -17.371 1.00 0.00 H new ATOM 1231 N ARG B 24 -9.714 -13.588 -13.603 1.00 0.00 N ATOM 1232 CA ARG B 24 -10.091 -14.777 -12.811 1.00 0.00 C ATOM 1233 C ARG B 24 -10.801 -14.417 -11.504 1.00 0.00 C ATOM 1234 O ARG B 24 -11.778 -15.079 -11.150 1.00 0.00 O ATOM 1235 CB ARG B 24 -8.860 -15.653 -12.511 1.00 0.00 C ATOM 1236 CG ARG B 24 -8.545 -16.618 -13.665 1.00 0.00 C ATOM 1237 CD ARG B 24 -7.480 -17.640 -13.245 1.00 0.00 C ATOM 1238 NE ARG B 24 -7.365 -18.732 -14.237 1.00 0.00 N ATOM 1239 CZ ARG B 24 -7.069 -19.999 -13.998 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -6.768 -20.436 -12.806 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -7.070 -20.868 -14.967 1.00 0.00 N ATOM 0 H ARG B 24 -8.720 -13.365 -13.551 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.796 -15.340 -13.423 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.996 -15.014 -12.327 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -9.035 -16.223 -11.599 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.454 -17.137 -13.969 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -8.194 -16.055 -14.530 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.517 -17.141 -13.136 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -7.736 -18.056 -12.270 1.00 0.00 H new ATOM 0 HE ARG B 24 -7.532 -18.480 -15.211 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -6.755 -19.792 -12.015 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -6.546 -21.422 -12.665 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -7.300 -20.573 -15.916 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -6.841 -21.844 -14.777 1.00 0.00 H new ATOM 1255 N VAL B 25 -10.330 -13.393 -10.785 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.913 -12.993 -9.486 1.00 0.00 C ATOM 1257 C VAL B 25 -12.262 -12.278 -9.659 1.00 0.00 C ATOM 1258 O VAL B 25 -13.191 -12.515 -8.886 1.00 0.00 O ATOM 1259 CB VAL B 25 -9.906 -12.156 -8.678 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -10.484 -11.623 -7.363 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -8.681 -13.010 -8.318 1.00 0.00 C ATOM 0 H VAL B 25 -9.540 -12.818 -11.078 1.00 0.00 H new ATOM 0 HA VAL B 25 -11.122 -13.898 -8.916 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.643 -11.312 -9.315 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -9.724 -11.041 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -11.345 -10.989 -7.575 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -10.795 -12.459 -6.737 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -7.974 -12.409 -7.746 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -8.997 -13.865 -7.721 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -8.202 -13.363 -9.231 1.00 0.00 H new ATOM 1271 N GLY B 26 -12.407 -11.456 -10.702 1.00 0.00 N ATOM 1272 CA GLY B 26 -13.682 -10.893 -11.163 1.00 0.00 C ATOM 1273 C GLY B 26 -14.179 -9.640 -10.424 1.00 0.00 C ATOM 1274 O GLY B 26 -15.082 -8.966 -10.921 1.00 0.00 O ATOM 0 H GLY B 26 -11.615 -11.153 -11.268 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -13.586 -10.651 -12.221 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -14.447 -11.665 -11.080 1.00 0.00 H new ATOM 1278 N ASP B 27 -13.612 -9.296 -9.262 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.944 -8.065 -8.528 1.00 0.00 C ATOM 1280 C ASP B 27 -13.537 -6.801 -9.325 1.00 0.00 C ATOM 1281 O ASP B 27 -12.374 -6.687 -9.725 1.00 0.00 O ATOM 1282 CB ASP B 27 -13.264 -8.069 -7.151 1.00 0.00 C ATOM 1283 CG ASP B 27 -14.017 -8.964 -6.152 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -15.117 -8.564 -5.703 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -13.513 -10.059 -5.810 1.00 0.00 O ATOM 0 H ASP B 27 -12.904 -9.867 -8.799 1.00 0.00 H new ATOM 0 HA ASP B 27 -15.025 -8.038 -8.392 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.237 -8.420 -7.252 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.217 -7.051 -6.765 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.445 -5.829 -9.553 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.185 -4.700 -10.452 1.00 0.00 C ATOM 1292 C PRO B 28 -13.141 -3.713 -9.907 1.00 0.00 C ATOM 1293 O PRO B 28 -12.376 -3.139 -10.682 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.547 -4.032 -10.673 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.343 -4.396 -9.420 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.819 -5.787 -9.070 1.00 0.00 C ATOM 0 HA PRO B 28 -13.747 -5.050 -11.387 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.449 -2.952 -10.784 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.032 -4.403 -11.576 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.171 -3.685 -8.612 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.416 -4.406 -9.612 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.861 -5.961 -7.995 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.423 -6.562 -9.542 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.056 -3.538 -8.582 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.053 -2.671 -7.928 1.00 0.00 C ATOM 1306 C VAL B 29 -10.610 -3.105 -8.209 1.00 0.00 C ATOM 1307 O VAL B 29 -9.713 -2.269 -8.283 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.348 -2.556 -6.418 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.078 -3.848 -5.633 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -11.570 -1.406 -5.778 1.00 0.00 C ATOM 0 H VAL B 29 -13.685 -3.996 -7.923 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.143 -1.678 -8.369 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.418 -2.356 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.309 -3.689 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.705 -4.649 -6.024 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.029 -4.124 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -11.803 -1.356 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.501 -1.574 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -11.850 -0.467 -6.255 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.379 -4.396 -8.458 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.076 -4.941 -8.836 1.00 0.00 C ATOM 1322 C LEU B 30 -8.571 -4.334 -10.162 1.00 0.00 C ATOM 1323 O LEU B 30 -7.409 -3.939 -10.253 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.227 -6.478 -8.870 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.005 -7.264 -8.377 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -8.386 -8.732 -8.191 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -6.831 -7.205 -9.349 1.00 0.00 C ATOM 0 H LEU B 30 -11.109 -5.106 -8.401 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.306 -4.675 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -10.088 -6.756 -8.262 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -9.447 -6.783 -9.893 1.00 0.00 H new ATOM 0 HG LEU B 30 -7.695 -6.804 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -7.519 -9.291 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -9.188 -8.810 -7.457 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -8.723 -9.144 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -5.996 -7.779 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -7.132 -7.626 -10.309 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -6.525 -6.168 -9.487 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.458 -4.143 -11.144 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.151 -3.411 -12.376 1.00 0.00 C ATOM 1341 C ALA B 31 -8.911 -1.904 -12.136 1.00 0.00 C ATOM 1342 O ALA B 31 -8.040 -1.309 -12.774 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.284 -3.642 -13.384 1.00 0.00 C ATOM 0 H ALA B 31 -10.415 -4.494 -11.106 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.213 -3.796 -12.777 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.067 -3.102 -14.306 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.368 -4.707 -13.599 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.223 -3.281 -12.965 1.00 0.00 H new ATOM 1349 N LYS B 32 -9.633 -1.281 -11.191 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.464 0.143 -10.825 1.00 0.00 C ATOM 1351 C LYS B 32 -8.107 0.446 -10.183 1.00 0.00 C ATOM 1352 O LYS B 32 -7.564 1.532 -10.377 1.00 0.00 O ATOM 1353 CB LYS B 32 -10.589 0.614 -9.886 1.00 0.00 C ATOM 1354 CG LYS B 32 -12.008 0.429 -10.445 1.00 0.00 C ATOM 1355 CD LYS B 32 -12.316 1.352 -11.637 1.00 0.00 C ATOM 1356 CE LYS B 32 -13.695 1.078 -12.258 1.00 0.00 C ATOM 1357 NZ LYS B 32 -14.817 1.432 -11.347 1.00 0.00 N ATOM 0 H LYS B 32 -10.359 -1.752 -10.651 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.513 0.694 -11.764 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.510 0.071 -8.944 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.437 1.669 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -12.137 -0.608 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -12.731 0.617 -9.652 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.270 2.390 -11.309 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.547 1.224 -12.399 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -13.791 1.646 -13.183 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -13.766 0.023 -12.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -15.723 1.227 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -14.745 0.872 -10.474 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -14.769 2.444 -11.114 1.00 0.00 H new ATOM 1371 N ILE B 33 -7.519 -0.515 -9.469 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.145 -0.367 -8.937 1.00 0.00 C ATOM 1373 C ILE B 33 -5.099 -0.284 -10.057 1.00 0.00 C ATOM 1374 O ILE B 33 -4.108 0.425 -9.905 1.00 0.00 O ATOM 1375 CB ILE B 33 -5.847 -1.501 -7.938 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -6.751 -1.271 -6.709 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -4.357 -1.553 -7.549 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -6.629 -2.363 -5.659 1.00 0.00 C ATOM 0 H ILE B 33 -7.963 -1.405 -9.241 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.081 0.581 -8.403 1.00 0.00 H new ATOM 0 HB ILE B 33 -6.060 -2.468 -8.393 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.500 -0.312 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -7.788 -1.206 -7.037 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -4.193 -2.367 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -3.754 -1.719 -8.441 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.068 -0.609 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -7.291 -2.139 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -6.909 -3.321 -6.097 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -5.600 -2.413 -5.304 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.317 -0.926 -11.207 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.370 -0.852 -12.328 1.00 0.00 C ATOM 1392 C LEU B 34 -4.218 0.582 -12.864 1.00 0.00 C ATOM 1393 O LEU B 34 -3.114 0.988 -13.219 1.00 0.00 O ATOM 1394 CB LEU B 34 -4.789 -1.813 -13.458 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.179 -3.234 -13.009 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -5.634 -4.052 -14.216 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -4.039 -3.967 -12.304 1.00 0.00 C ATOM 0 H LEU B 34 -6.139 -1.503 -11.389 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.396 -1.160 -11.948 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.633 -1.374 -13.990 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -3.968 -1.888 -14.170 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.992 -3.126 -12.291 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.909 -5.056 -13.892 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.496 -3.571 -14.677 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.822 -4.114 -14.941 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.373 -4.962 -12.011 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.189 -4.054 -12.981 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.741 -3.408 -11.417 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.297 1.371 -12.861 1.00 0.00 N ATOM 1410 CA GLU B 35 -5.286 2.803 -13.137 1.00 0.00 C ATOM 1411 C GLU B 35 -4.483 3.586 -12.084 1.00 0.00 C ATOM 1412 O GLU B 35 -3.637 4.406 -12.441 1.00 0.00 O ATOM 1413 CB GLU B 35 -6.752 3.254 -13.171 1.00 0.00 C ATOM 1414 CG GLU B 35 -7.310 3.341 -14.596 1.00 0.00 C ATOM 1415 CD GLU B 35 -7.016 4.673 -15.320 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -6.531 5.645 -14.691 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -7.300 4.764 -16.538 1.00 0.00 O ATOM 0 H GLU B 35 -6.231 1.014 -12.659 1.00 0.00 H new ATOM 0 HA GLU B 35 -4.793 3.003 -14.088 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -7.356 2.557 -12.590 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.840 4.228 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.896 2.523 -15.185 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -8.389 3.193 -14.559 1.00 0.00 H new ATOM 1424 N ASP B 36 -4.685 3.307 -10.791 1.00 0.00 N ATOM 1425 CA ASP B 36 -3.973 3.967 -9.701 1.00 0.00 C ATOM 1426 C ASP B 36 -2.456 3.724 -9.774 1.00 0.00 C ATOM 1427 O ASP B 36 -1.681 4.677 -9.791 1.00 0.00 O ATOM 1428 CB ASP B 36 -4.520 3.460 -8.360 1.00 0.00 C ATOM 1429 CG ASP B 36 -5.909 3.979 -7.951 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -6.451 4.924 -8.574 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -6.439 3.439 -6.952 1.00 0.00 O ATOM 0 H ASP B 36 -5.356 2.608 -10.473 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.135 5.041 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -4.558 2.371 -8.396 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -3.810 3.728 -7.577 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.012 2.465 -9.863 1.00 0.00 N ATOM 1437 CA GLU B 37 -0.579 2.137 -9.911 1.00 0.00 C ATOM 1438 C GLU B 37 0.104 2.647 -11.202 1.00 0.00 C ATOM 1439 O GLU B 37 1.289 2.978 -11.174 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.341 0.624 -9.745 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.004 -0.070 -8.538 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.547 0.379 -7.145 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.261 1.320 -6.968 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -1.027 -0.175 -6.124 1.00 0.00 O ATOM 0 H GLU B 37 -2.626 1.652 -9.904 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.121 2.657 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -0.687 0.127 -10.651 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.734 0.457 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.081 0.083 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -0.828 -1.142 -8.624 1.00 0.00 H new ATOM 1451 N GLU B 38 -0.624 2.775 -12.322 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.123 3.420 -13.550 1.00 0.00 C ATOM 1453 C GLU B 38 0.164 4.912 -13.335 1.00 0.00 C ATOM 1454 O GLU B 38 1.228 5.418 -13.704 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.149 3.260 -14.682 1.00 0.00 C ATOM 1456 CG GLU B 38 -0.575 3.633 -16.053 1.00 0.00 C ATOM 1457 CD GLU B 38 -1.612 3.400 -17.169 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -2.393 4.332 -17.482 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -1.642 2.291 -17.757 1.00 0.00 O ATOM 0 H GLU B 38 -1.581 2.433 -12.404 1.00 0.00 H new ATOM 0 HA GLU B 38 0.812 2.929 -13.819 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -1.499 2.228 -14.707 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -2.016 3.886 -14.473 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.268 4.679 -16.050 1.00 0.00 H new ATOM 0 HG3 GLU B 38 0.317 3.039 -16.251 1.00 0.00 H new ATOM 1466 N LYS B 39 -0.770 5.616 -12.690 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.558 7.008 -12.256 1.00 0.00 C ATOM 1468 C LYS B 39 0.606 7.142 -11.271 1.00 0.00 C ATOM 1469 O LYS B 39 1.464 8.004 -11.460 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.849 7.588 -11.662 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.669 8.371 -12.693 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.212 7.529 -13.858 1.00 0.00 C ATOM 1473 CE LYS B 39 -4.217 8.315 -14.708 1.00 0.00 C ATOM 1474 NZ LYS B 39 -5.598 8.204 -14.169 1.00 0.00 N ATOM 0 H LYS B 39 -1.690 5.244 -12.453 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.288 7.584 -13.141 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -2.456 6.777 -11.259 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.599 8.243 -10.828 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -3.508 8.846 -12.184 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.049 9.170 -13.099 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -2.384 7.200 -14.486 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -3.691 6.632 -13.466 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -3.923 9.364 -14.742 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -4.195 7.944 -15.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -6.235 8.815 -14.718 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -5.919 7.217 -14.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -5.607 8.502 -13.173 1.00 0.00 H new ATOM 1488 N HIS B 40 0.689 6.268 -10.264 1.00 0.00 N ATOM 1489 CA HIS B 40 1.719 6.302 -9.226 1.00 0.00 C ATOM 1490 C HIS B 40 3.152 6.252 -9.763 1.00 0.00 C ATOM 1491 O HIS B 40 4.013 6.916 -9.203 1.00 0.00 O ATOM 1492 CB HIS B 40 1.540 5.104 -8.294 1.00 0.00 C ATOM 1493 CG HIS B 40 0.367 5.076 -7.351 1.00 0.00 C ATOM 1494 ND1 HIS B 40 0.182 4.100 -6.358 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.668 5.961 -7.313 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -0.987 4.434 -5.763 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.511 5.540 -6.315 1.00 0.00 N ATOM 0 H HIS B 40 0.027 5.501 -10.147 1.00 0.00 H new ATOM 0 HA HIS B 40 1.589 7.256 -8.714 1.00 0.00 H new ATOM 0 HB2 HIS B 40 1.483 4.210 -8.916 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.446 5.017 -7.694 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.800 6.826 -7.946 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.439 3.883 -4.951 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -2.384 5.990 -6.040 1.00 0.00 H new ATOM 1505 N ILE B 41 3.414 5.482 -10.822 1.00 0.00 N ATOM 1506 CA ILE B 41 4.743 5.205 -11.389 1.00 0.00 C ATOM 1507 C ILE B 41 5.150 6.253 -12.440 1.00 0.00 C ATOM 1508 O ILE B 41 6.335 6.546 -12.597 1.00 0.00 O ATOM 1509 CB ILE B 41 4.821 3.751 -11.911 1.00 0.00 C ATOM 1510 CG1 ILE B 41 6.291 3.320 -12.097 1.00 0.00 C ATOM 1511 CG2 ILE B 41 4.010 3.520 -13.196 1.00 0.00 C ATOM 1512 CD1 ILE B 41 6.456 1.813 -12.316 1.00 0.00 C ATOM 0 H ILE B 41 2.670 5.010 -11.335 1.00 0.00 H new ATOM 0 HA ILE B 41 5.481 5.294 -10.592 1.00 0.00 H new ATOM 0 HB ILE B 41 4.360 3.123 -11.149 1.00 0.00 H new ATOM 0 HG12 ILE B 41 6.714 3.853 -12.949 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.864 3.618 -11.219 1.00 0.00 H new ATOM 0 HG21 ILE B 41 4.109 2.480 -13.507 1.00 0.00 H new ATOM 0 HG22 ILE B 41 2.960 3.745 -13.009 1.00 0.00 H new ATOM 0 HG23 ILE B 41 4.385 4.172 -13.985 1.00 0.00 H new ATOM 0 HD11 ILE B 41 7.513 1.577 -12.440 1.00 0.00 H new ATOM 0 HD12 ILE B 41 6.062 1.275 -11.454 1.00 0.00 H new ATOM 0 HD13 ILE B 41 5.910 1.513 -13.211 1.00 0.00 H new ATOM 1524 N GLU B 42 4.180 6.901 -13.097 1.00 0.00 N ATOM 1525 CA GLU B 42 4.420 8.156 -13.824 1.00 0.00 C ATOM 1526 C GLU B 42 4.796 9.284 -12.845 1.00 0.00 C ATOM 1527 O GLU B 42 5.789 9.986 -13.055 1.00 0.00 O ATOM 1528 CB GLU B 42 3.182 8.517 -14.663 1.00 0.00 C ATOM 1529 CG GLU B 42 3.434 9.739 -15.557 1.00 0.00 C ATOM 1530 CD GLU B 42 2.242 9.999 -16.498 1.00 0.00 C ATOM 1531 OE1 GLU B 42 2.228 9.458 -17.631 1.00 0.00 O ATOM 1532 OE2 GLU B 42 1.319 10.764 -16.124 1.00 0.00 O ATOM 0 H GLU B 42 3.215 6.575 -13.140 1.00 0.00 H new ATOM 0 HA GLU B 42 5.262 8.024 -14.504 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.902 7.665 -15.283 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.340 8.719 -14.000 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.608 10.617 -14.935 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.338 9.581 -16.146 1.00 0.00 H new ATOM 1539 N TRP B 43 4.062 9.411 -11.730 1.00 0.00 N ATOM 1540 CA TRP B 43 4.412 10.318 -10.632 1.00 0.00 C ATOM 1541 C TRP B 43 5.741 9.947 -9.951 1.00 0.00 C ATOM 1542 O TRP B 43 6.469 10.849 -9.543 1.00 0.00 O ATOM 1543 CB TRP B 43 3.265 10.385 -9.610 1.00 0.00 C ATOM 1544 CG TRP B 43 1.948 10.922 -10.102 1.00 0.00 C ATOM 1545 CD1 TRP B 43 1.783 11.845 -11.079 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.598 10.610 -9.626 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.439 12.119 -11.243 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.338 11.390 -10.371 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.064 9.775 -8.618 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.721 11.340 -10.138 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -1.321 9.722 -8.366 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -2.214 10.498 -9.126 1.00 0.00 C ATOM 0 H TRP B 43 3.205 8.884 -11.566 1.00 0.00 H new ATOM 0 HA TRP B 43 4.558 11.307 -11.066 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.098 9.381 -9.220 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.592 11.002 -8.773 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.583 12.299 -11.645 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.068 12.780 -11.926 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.732 9.165 -8.029 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.397 11.940 -10.728 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.700 9.081 -7.584 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.275 10.447 -8.933 1.00 0.00 H new ATOM 1563 N LEU B 44 6.100 8.658 -9.868 1.00 0.00 N ATOM 1564 CA LEU B 44 7.357 8.187 -9.271 1.00 0.00 C ATOM 1565 C LEU B 44 8.606 8.828 -9.909 1.00 0.00 C ATOM 1566 O LEU B 44 9.404 9.465 -9.226 1.00 0.00 O ATOM 1567 CB LEU B 44 7.346 6.658 -9.413 1.00 0.00 C ATOM 1568 CG LEU B 44 8.178 5.830 -8.452 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.941 4.354 -8.727 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.665 6.138 -8.487 1.00 0.00 C ATOM 0 H LEU B 44 5.514 7.901 -10.220 1.00 0.00 H new ATOM 0 HA LEU B 44 7.418 8.485 -8.224 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.312 6.326 -9.325 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.673 6.418 -10.425 1.00 0.00 H new ATOM 0 HG LEU B 44 7.849 6.097 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.537 3.755 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.885 4.123 -8.588 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.231 4.124 -9.752 1.00 0.00 H new ATOM 0 HD21 LEU B 44 10.185 5.502 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU B 44 10.052 5.949 -9.488 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.826 7.184 -8.228 1.00 0.00 H new ATOM 1582 N GLU B 45 8.750 8.709 -11.229 1.00 0.00 N ATOM 1583 CA GLU B 45 9.889 9.258 -11.995 1.00 0.00 C ATOM 1584 C GLU B 45 9.991 10.798 -11.927 1.00 0.00 C ATOM 1585 O GLU B 45 11.074 11.380 -12.001 1.00 0.00 O ATOM 1586 CB GLU B 45 9.735 8.818 -13.459 1.00 0.00 C ATOM 1587 CG GLU B 45 11.050 8.791 -14.254 1.00 0.00 C ATOM 1588 CD GLU B 45 11.904 7.545 -13.943 1.00 0.00 C ATOM 1589 OE1 GLU B 45 12.639 7.538 -12.926 1.00 0.00 O ATOM 1590 OE2 GLU B 45 11.866 6.572 -14.736 1.00 0.00 O ATOM 0 H GLU B 45 8.071 8.221 -11.814 1.00 0.00 H new ATOM 0 HA GLU B 45 10.806 8.872 -11.550 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.290 7.823 -13.482 1.00 0.00 H new ATOM 0 HB3 GLU B 45 9.037 9.491 -13.957 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.826 8.817 -15.320 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.626 9.688 -14.027 1.00 0.00 H new ATOM 1597 N THR B 46 8.849 11.467 -11.762 1.00 0.00 N ATOM 1598 CA THR B 46 8.712 12.933 -11.618 1.00 0.00 C ATOM 1599 C THR B 46 9.426 13.529 -10.385 1.00 0.00 C ATOM 1600 O THR B 46 9.674 14.735 -10.332 1.00 0.00 O ATOM 1601 CB THR B 46 7.205 13.290 -11.668 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.889 13.842 -12.930 1.00 0.00 O ATOM 1603 CG2 THR B 46 6.640 14.239 -10.606 1.00 0.00 C ATOM 0 H THR B 46 7.949 10.988 -11.722 1.00 0.00 H new ATOM 0 HA THR B 46 9.234 13.401 -12.453 1.00 0.00 H new ATOM 0 HB THR B 46 6.736 12.328 -11.461 1.00 0.00 H new ATOM 0 HG1 THR B 46 5.935 14.065 -12.960 1.00 0.00 H new ATOM 0 HG21 THR B 46 5.574 14.387 -10.780 1.00 0.00 H new ATOM 0 HG22 THR B 46 6.790 13.808 -9.616 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.154 15.199 -10.665 1.00 0.00 H new ATOM 1611 N ILE B 47 9.803 12.701 -9.406 1.00 0.00 N ATOM 1612 CA ILE B 47 10.339 13.078 -8.088 1.00 0.00 C ATOM 1613 C ILE B 47 11.881 13.135 -8.064 1.00 0.00 C ATOM 1614 O ILE B 47 12.502 13.597 -7.105 1.00 0.00 O ATOM 1615 CB ILE B 47 9.720 12.107 -7.045 1.00 0.00 C ATOM 1616 CG1 ILE B 47 8.192 12.299 -6.881 1.00 0.00 C ATOM 1617 CG2 ILE B 47 10.386 12.123 -5.671 1.00 0.00 C ATOM 1618 CD1 ILE B 47 7.742 13.612 -6.226 1.00 0.00 C ATOM 0 H ILE B 47 9.740 11.689 -9.516 1.00 0.00 H new ATOM 0 HA ILE B 47 10.053 14.099 -7.836 1.00 0.00 H new ATOM 0 HB ILE B 47 9.916 11.126 -7.477 1.00 0.00 H new ATOM 0 HG12 ILE B 47 7.730 12.231 -7.866 1.00 0.00 H new ATOM 0 HG13 ILE B 47 7.804 11.470 -6.289 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.883 11.413 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE B 47 11.435 11.844 -5.772 1.00 0.00 H new ATOM 0 HG23 ILE B 47 10.316 13.124 -5.244 1.00 0.00 H new ATOM 0 HD11 ILE B 47 6.654 13.634 -6.165 1.00 0.00 H new ATOM 0 HD12 ILE B 47 8.163 13.681 -5.223 1.00 0.00 H new ATOM 0 HD13 ILE B 47 8.089 14.455 -6.824 1.00 0.00 H new ATOM 1630 N ASN B 48 12.509 12.738 -9.167 1.00 0.00 N ATOM 1631 CA ASN B 48 13.955 12.613 -9.364 1.00 0.00 C ATOM 1632 C ASN B 48 14.720 13.962 -9.446 1.00 0.00 C ATOM 1633 O ASN B 48 15.934 13.964 -9.672 1.00 0.00 O ATOM 1634 CB ASN B 48 14.168 11.757 -10.630 1.00 0.00 C ATOM 1635 CG ASN B 48 13.816 10.285 -10.452 1.00 0.00 C ATOM 1636 OD1 ASN B 48 12.797 9.910 -9.892 1.00 0.00 O ATOM 1637 ND2 ASN B 48 14.659 9.391 -10.919 1.00 0.00 N ATOM 0 H ASN B 48 11.989 12.477 -10.005 1.00 0.00 H new ATOM 0 HA ASN B 48 14.381 12.136 -8.481 1.00 0.00 H new ATOM 0 HB2 ASN B 48 13.565 12.168 -11.439 1.00 0.00 H new ATOM 0 HB3 ASN B 48 15.211 11.836 -10.938 1.00 0.00 H new ATOM 0 HD21 ASN B 48 14.459 8.397 -10.812 1.00 0.00 H new ATOM 0 HD22 ASN B 48 15.513 9.692 -11.388 1.00 0.00 H new