USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 180:sc= 0.191 USER MOD Set 1.2: A 36 THR OG1 : rot 99:sc= 0.116 USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.584) USER MOD Single : A 9 THR OG1 : rot -76:sc= -1.44 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.528 (180deg=-1.4!) USER MOD Single : A 15 TYR OH : rot -140:sc= -0.387 USER MOD Single : A 19 THR OG1 : rot -139:sc= 0.777 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= -0.5 (180deg=-1.41) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0819 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0266) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -9.85! C(o=-9.9!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -81:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= -0.758 K(o=-0.76,f=-5!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.58! C(o=-6.6!,f=-9.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 68 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 8.739 5.274 -2.797 1.00 23.12 N ATOM 88 CA LYS A 6 10.121 5.191 -3.254 1.00 43.11 C ATOM 89 C LYS A 6 10.370 6.153 -4.412 1.00 32.50 C ATOM 90 O LYS A 6 11.498 6.591 -4.634 1.00 53.23 O ATOM 91 CB LYS A 6 10.453 3.761 -3.685 1.00 74.51 C ATOM 92 CG LYS A 6 10.181 3.490 -5.155 1.00 22.22 C ATOM 93 CD LYS A 6 11.410 3.759 -6.008 1.00 32.45 C ATOM 94 CE LYS A 6 11.782 2.546 -6.847 1.00 54.13 C ATOM 95 NZ LYS A 6 12.807 2.877 -7.875 1.00 72.25 N ATOM 0 HA LYS A 6 10.769 5.473 -2.424 1.00 43.11 H new ATOM 0 HB2 LYS A 6 11.504 3.562 -3.476 1.00 74.51 H new ATOM 0 HB3 LYS A 6 9.871 3.064 -3.082 1.00 74.51 H new ATOM 0 HG2 LYS A 6 9.868 2.454 -5.283 1.00 22.22 H new ATOM 0 HG3 LYS A 6 9.357 4.117 -5.495 1.00 22.22 H new ATOM 0 HD2 LYS A 6 11.221 4.611 -6.661 1.00 32.45 H new ATOM 0 HD3 LYS A 6 12.248 4.029 -5.366 1.00 32.45 H new ATOM 0 HE2 LYS A 6 12.161 1.757 -6.197 1.00 54.13 H new ATOM 0 HE3 LYS A 6 10.890 2.155 -7.336 1.00 54.13 H new ATOM 0 HZ1 LYS A 6 13.313 2.012 -8.152 1.00 72.25 H new ATOM 0 HZ2 LYS A 6 12.342 3.289 -8.709 1.00 72.25 H new ATOM 0 HZ3 LYS A 6 13.484 3.562 -7.483 1.00 72.25 H new ATOM 109 N GLU A 7 9.309 6.476 -5.145 1.00 11.33 N ATOM 110 CA GLU A 7 9.414 7.387 -6.279 1.00 33.31 C ATOM 111 C GLU A 7 9.355 8.840 -5.817 1.00 41.02 C ATOM 112 O GLU A 7 9.846 9.739 -6.500 1.00 0.45 O ATOM 113 CB GLU A 7 8.294 7.114 -7.285 1.00 52.33 C ATOM 114 CG GLU A 7 8.204 5.660 -7.717 1.00 12.21 C ATOM 115 CD GLU A 7 7.356 5.472 -8.960 1.00 43.11 C ATOM 116 OE1 GLU A 7 7.856 5.757 -10.068 1.00 62.44 O ATOM 117 OE2 GLU A 7 6.192 5.040 -8.824 1.00 64.21 O ATOM 0 H GLU A 7 8.368 6.121 -4.974 1.00 11.33 H new ATOM 0 HA GLU A 7 10.376 7.217 -6.762 1.00 33.31 H new ATOM 0 HB2 GLU A 7 7.342 7.413 -6.846 1.00 52.33 H new ATOM 0 HB3 GLU A 7 8.449 7.737 -8.166 1.00 52.33 H new ATOM 0 HG2 GLU A 7 9.207 5.278 -7.905 1.00 12.21 H new ATOM 0 HG3 GLU A 7 7.785 5.068 -6.903 1.00 12.21 H new ATOM 124 N ARG A 8 8.751 9.061 -4.654 1.00 54.35 N ATOM 125 CA ARG A 8 8.626 10.405 -4.102 1.00 33.32 C ATOM 126 C ARG A 8 9.993 11.069 -3.972 1.00 65.43 C ATOM 127 O ARG A 8 10.122 12.285 -4.118 1.00 23.34 O ATOM 128 CB ARG A 8 7.939 10.355 -2.736 1.00 4.35 C ATOM 129 CG ARG A 8 7.274 11.663 -2.341 1.00 13.43 C ATOM 130 CD ARG A 8 5.758 11.552 -2.383 1.00 33.13 C ATOM 131 NE ARG A 8 5.107 12.835 -2.131 1.00 43.02 N ATOM 132 CZ ARG A 8 3.796 12.975 -1.968 1.00 4.00 C ATOM 133 NH1 ARG A 8 3.001 11.916 -2.029 1.00 54.32 N ATOM 134 NH2 ARG A 8 3.279 14.176 -1.742 1.00 42.05 N ATOM 0 H ARG A 8 8.341 8.327 -4.076 1.00 54.35 H new ATOM 0 HA ARG A 8 8.018 10.997 -4.786 1.00 33.32 H new ATOM 0 HB2 ARG A 8 7.189 9.564 -2.745 1.00 4.35 H new ATOM 0 HB3 ARG A 8 8.675 10.088 -1.978 1.00 4.35 H new ATOM 0 HG2 ARG A 8 7.592 11.945 -1.337 1.00 13.43 H new ATOM 0 HG3 ARG A 8 7.601 12.456 -3.014 1.00 13.43 H new ATOM 0 HD2 ARG A 8 5.449 11.174 -3.358 1.00 33.13 H new ATOM 0 HD3 ARG A 8 5.427 10.826 -1.640 1.00 33.13 H new ATOM 0 HE ARG A 8 5.691 13.669 -2.077 1.00 43.02 H new ATOM 0 HH11 ARG A 8 3.396 10.991 -2.201 1.00 54.32 H new ATOM 0 HH12 ARG A 8 1.995 12.026 -1.904 1.00 54.32 H new ATOM 0 HH21 ARG A 8 3.888 14.993 -1.693 1.00 42.05 H new ATOM 0 HH22 ARG A 8 2.272 14.283 -1.617 1.00 42.05 H new ATOM 148 N THR A 9 11.014 10.262 -3.697 1.00 73.32 N ATOM 149 CA THR A 9 12.371 10.770 -3.546 1.00 41.22 C ATOM 150 C THR A 9 13.047 10.943 -4.901 1.00 44.23 C ATOM 151 O THR A 9 13.921 11.795 -5.065 1.00 51.51 O ATOM 152 CB THR A 9 13.228 9.834 -2.673 1.00 70.35 C ATOM 153 OG1 THR A 9 14.584 10.293 -2.647 1.00 12.54 O ATOM 154 CG2 THR A 9 13.181 8.408 -3.202 1.00 11.00 C ATOM 0 H THR A 9 10.926 9.253 -3.574 1.00 73.32 H new ATOM 0 HA THR A 9 12.292 11.740 -3.056 1.00 41.22 H new ATOM 0 HB THR A 9 12.822 9.844 -1.662 1.00 70.35 H new ATOM 0 HG1 THR A 9 15.023 10.065 -3.493 1.00 12.54 H new ATOM 0 HG21 THR A 9 13.793 7.765 -2.570 1.00 11.00 H new ATOM 0 HG22 THR A 9 12.151 8.051 -3.194 1.00 11.00 H new ATOM 0 HG23 THR A 9 13.565 8.385 -4.222 1.00 11.00 H new ATOM 162 N ILE A 10 12.638 10.131 -5.870 1.00 31.23 N ATOM 163 CA ILE A 10 13.204 10.196 -7.211 1.00 52.24 C ATOM 164 C ILE A 10 13.198 11.626 -7.741 1.00 74.05 C ATOM 165 O ILE A 10 14.194 12.103 -8.285 1.00 2.13 O ATOM 166 CB ILE A 10 12.432 9.294 -8.192 1.00 65.43 C ATOM 167 CG1 ILE A 10 12.643 7.820 -7.837 1.00 12.30 C ATOM 168 CG2 ILE A 10 12.873 9.567 -9.622 1.00 44.34 C ATOM 169 CD1 ILE A 10 14.081 7.367 -7.964 1.00 15.51 C ATOM 0 H ILE A 10 11.916 9.420 -5.751 1.00 31.23 H new ATOM 0 HA ILE A 10 14.232 9.842 -7.137 1.00 52.24 H new ATOM 0 HB ILE A 10 11.369 9.520 -8.111 1.00 65.43 H new ATOM 0 HG12 ILE A 10 12.306 7.649 -6.815 1.00 12.30 H new ATOM 0 HG13 ILE A 10 12.018 7.206 -8.486 1.00 12.30 H new ATOM 0 HG21 ILE A 10 12.318 8.922 -10.303 1.00 44.34 H new ATOM 0 HG22 ILE A 10 12.677 10.610 -9.870 1.00 44.34 H new ATOM 0 HG23 ILE A 10 13.940 9.365 -9.719 1.00 44.34 H new ATOM 0 HD11 ILE A 10 14.155 6.313 -7.697 1.00 15.51 H new ATOM 0 HD12 ILE A 10 14.417 7.506 -8.992 1.00 15.51 H new ATOM 0 HD13 ILE A 10 14.708 7.956 -7.295 1.00 15.51 H new ATOM 181 N LYS A 11 12.068 12.307 -7.579 1.00 22.45 N ATOM 182 CA LYS A 11 11.931 13.684 -8.037 1.00 63.12 C ATOM 183 C LYS A 11 12.963 14.585 -7.368 1.00 5.54 C ATOM 184 O LYS A 11 13.548 15.459 -8.010 1.00 31.33 O ATOM 185 CB LYS A 11 10.521 14.202 -7.747 1.00 10.12 C ATOM 186 CG LYS A 11 9.422 13.241 -8.164 1.00 73.35 C ATOM 187 CD LYS A 11 8.045 13.863 -8.000 1.00 60.55 C ATOM 188 CE LYS A 11 6.941 12.855 -8.284 1.00 41.44 C ATOM 189 NZ LYS A 11 6.491 12.911 -9.703 1.00 13.43 N ATOM 0 H LYS A 11 11.233 11.927 -7.133 1.00 22.45 H new ATOM 0 HA LYS A 11 12.103 13.701 -9.113 1.00 63.12 H new ATOM 0 HB2 LYS A 11 10.430 14.404 -6.680 1.00 10.12 H new ATOM 0 HB3 LYS A 11 10.378 15.151 -8.264 1.00 10.12 H new ATOM 0 HG2 LYS A 11 9.569 12.948 -9.204 1.00 73.35 H new ATOM 0 HG3 LYS A 11 9.485 12.332 -7.565 1.00 73.35 H new ATOM 0 HD2 LYS A 11 7.936 14.247 -6.986 1.00 60.55 H new ATOM 0 HD3 LYS A 11 7.946 14.713 -8.675 1.00 60.55 H new ATOM 0 HE2 LYS A 11 7.298 11.851 -8.056 1.00 41.44 H new ATOM 0 HE3 LYS A 11 6.094 13.049 -7.626 1.00 41.44 H new ATOM 0 HZ1 LYS A 11 5.739 12.210 -9.857 1.00 13.43 H new ATOM 0 HZ2 LYS A 11 6.126 13.862 -9.914 1.00 13.43 H new ATOM 0 HZ3 LYS A 11 7.293 12.701 -10.330 1.00 13.43 H new ATOM 203 N ILE A 12 13.183 14.367 -6.076 1.00 5.34 N ATOM 204 CA ILE A 12 14.147 15.159 -5.321 1.00 21.21 C ATOM 205 C ILE A 12 15.569 14.907 -5.811 1.00 1.12 C ATOM 206 O ILE A 12 16.272 15.834 -6.212 1.00 73.43 O ATOM 207 CB ILE A 12 14.073 14.849 -3.814 1.00 50.21 C ATOM 208 CG1 ILE A 12 12.639 15.016 -3.307 1.00 20.20 C ATOM 209 CG2 ILE A 12 15.022 15.752 -3.041 1.00 24.15 C ATOM 210 CD1 ILE A 12 12.481 14.719 -1.832 1.00 63.22 C ATOM 0 H ILE A 12 12.707 13.649 -5.530 1.00 5.34 H new ATOM 0 HA ILE A 12 13.890 16.206 -5.481 1.00 21.21 H new ATOM 0 HB ILE A 12 14.377 13.814 -3.655 1.00 50.21 H new ATOM 0 HG12 ILE A 12 12.310 16.037 -3.501 1.00 20.20 H new ATOM 0 HG13 ILE A 12 11.982 14.356 -3.875 1.00 20.20 H new ATOM 0 HG21 ILE A 12 14.959 15.521 -1.978 1.00 24.15 H new ATOM 0 HG22 ILE A 12 16.043 15.589 -3.387 1.00 24.15 H new ATOM 0 HG23 ILE A 12 14.746 16.794 -3.203 1.00 24.15 H new ATOM 0 HD11 ILE A 12 11.439 14.858 -1.542 1.00 63.22 H new ATOM 0 HD12 ILE A 12 12.778 13.689 -1.634 1.00 63.22 H new ATOM 0 HD13 ILE A 12 13.111 15.396 -1.255 1.00 63.22 H new ATOM 222 N GLY A 13 15.987 13.645 -5.776 1.00 55.14 N ATOM 223 CA GLY A 13 17.322 13.293 -6.221 1.00 44.21 C ATOM 224 C GLY A 13 17.597 13.742 -7.643 1.00 30.52 C ATOM 225 O GLY A 13 18.737 14.041 -7.998 1.00 50.24 O ATOM 0 H GLY A 13 15.424 12.860 -5.447 1.00 55.14 H new ATOM 0 HA2 GLY A 13 18.055 13.744 -5.553 1.00 44.21 H new ATOM 0 HA3 GLY A 13 17.451 12.213 -6.153 1.00 44.21 H new ATOM 229 N LYS A 14 16.550 13.787 -8.460 1.00 22.41 N ATOM 230 CA LYS A 14 16.683 14.201 -9.852 1.00 35.14 C ATOM 231 C LYS A 14 16.593 15.718 -9.978 1.00 43.34 C ATOM 232 O LYS A 14 17.101 16.302 -10.936 1.00 65.22 O ATOM 233 CB LYS A 14 15.597 13.542 -10.707 1.00 5.34 C ATOM 234 CG LYS A 14 15.692 12.027 -10.747 1.00 74.15 C ATOM 235 CD LYS A 14 16.055 11.528 -12.136 1.00 3.01 C ATOM 236 CE LYS A 14 15.723 10.053 -12.303 1.00 1.10 C ATOM 237 NZ LYS A 14 16.853 9.295 -12.908 1.00 41.21 N ATOM 0 H LYS A 14 15.600 13.542 -8.182 1.00 22.41 H new ATOM 0 HA LYS A 14 17.662 13.881 -10.209 1.00 35.14 H new ATOM 0 HB2 LYS A 14 14.619 13.826 -10.320 1.00 5.34 H new ATOM 0 HB3 LYS A 14 15.662 13.929 -11.724 1.00 5.34 H new ATOM 0 HG2 LYS A 14 16.441 11.689 -10.031 1.00 74.15 H new ATOM 0 HG3 LYS A 14 14.740 11.593 -10.441 1.00 74.15 H new ATOM 0 HD2 LYS A 14 15.518 12.110 -12.885 1.00 3.01 H new ATOM 0 HD3 LYS A 14 17.119 11.685 -12.314 1.00 3.01 H new ATOM 0 HE2 LYS A 14 15.477 9.624 -11.332 1.00 1.10 H new ATOM 0 HE3 LYS A 14 14.838 9.949 -12.931 1.00 1.10 H new ATOM 0 HZ1 LYS A 14 16.837 8.314 -12.564 1.00 41.21 H new ATOM 0 HZ2 LYS A 14 16.759 9.300 -13.944 1.00 41.21 H new ATOM 0 HZ3 LYS A 14 17.753 9.741 -12.640 1.00 41.21 H new ATOM 251 N TYR A 15 15.946 16.351 -9.007 1.00 10.44 N ATOM 252 CA TYR A 15 15.790 17.801 -9.010 1.00 52.14 C ATOM 253 C TYR A 15 17.042 18.485 -8.471 1.00 1.42 C ATOM 254 O TYR A 15 17.499 19.490 -9.018 1.00 34.30 O ATOM 255 CB TYR A 15 14.574 18.206 -8.176 1.00 11.35 C ATOM 256 CG TYR A 15 14.258 19.683 -8.243 1.00 1.41 C ATOM 257 CD1 TYR A 15 14.915 20.592 -7.423 1.00 4.33 C ATOM 258 CD2 TYR A 15 13.302 20.170 -9.126 1.00 1.23 C ATOM 259 CE1 TYR A 15 14.630 21.943 -7.480 1.00 72.31 C ATOM 260 CE2 TYR A 15 13.011 21.519 -9.191 1.00 61.00 C ATOM 261 CZ TYR A 15 13.677 22.401 -8.366 1.00 44.22 C ATOM 262 OH TYR A 15 13.389 23.745 -8.427 1.00 43.42 O ATOM 0 H TYR A 15 15.521 15.883 -8.207 1.00 10.44 H new ATOM 0 HA TYR A 15 15.638 18.122 -10.040 1.00 52.14 H new ATOM 0 HB2 TYR A 15 13.706 17.642 -8.517 1.00 11.35 H new ATOM 0 HB3 TYR A 15 14.748 17.927 -7.137 1.00 11.35 H new ATOM 0 HD1 TYR A 15 15.662 20.236 -6.729 1.00 4.33 H new ATOM 0 HD2 TYR A 15 12.777 19.482 -9.773 1.00 1.23 H new ATOM 0 HE1 TYR A 15 15.150 22.636 -6.835 1.00 72.31 H new ATOM 0 HE2 TYR A 15 12.266 21.881 -9.884 1.00 61.00 H new ATOM 0 HH TYR A 15 12.423 23.868 -8.533 1.00 43.42 H new ATOM 272 N ILE A 16 17.593 17.934 -7.395 1.00 34.33 N ATOM 273 CA ILE A 16 18.793 18.489 -6.782 1.00 32.25 C ATOM 274 C ILE A 16 19.895 18.692 -7.816 1.00 14.42 C ATOM 275 O ILE A 16 20.662 19.652 -7.740 1.00 64.22 O ATOM 276 CB ILE A 16 19.322 17.580 -5.656 1.00 70.14 C ATOM 277 CG1 ILE A 16 19.868 16.275 -6.240 1.00 3.15 C ATOM 278 CG2 ILE A 16 18.222 17.295 -4.644 1.00 63.25 C ATOM 279 CD1 ILE A 16 21.347 16.327 -6.555 1.00 73.34 C ATOM 0 H ILE A 16 17.227 17.103 -6.930 1.00 34.33 H new ATOM 0 HA ILE A 16 18.514 19.454 -6.358 1.00 32.25 H new ATOM 0 HB ILE A 16 20.134 18.095 -5.144 1.00 70.14 H new ATOM 0 HG12 ILE A 16 19.683 15.465 -5.534 1.00 3.15 H new ATOM 0 HG13 ILE A 16 19.319 16.036 -7.151 1.00 3.15 H new ATOM 0 HG21 ILE A 16 18.611 16.652 -3.855 1.00 63.25 H new ATOM 0 HG22 ILE A 16 17.875 18.233 -4.210 1.00 63.25 H new ATOM 0 HG23 ILE A 16 17.390 16.796 -5.141 1.00 63.25 H new ATOM 0 HD11 ILE A 16 21.666 15.369 -6.965 1.00 73.34 H new ATOM 0 HD12 ILE A 16 21.536 17.115 -7.284 1.00 73.34 H new ATOM 0 HD13 ILE A 16 21.906 16.535 -5.643 1.00 73.34 H new ATOM 291 N VAL A 17 19.966 17.784 -8.784 1.00 33.25 N ATOM 292 CA VAL A 17 20.972 17.865 -9.836 1.00 34.22 C ATOM 293 C VAL A 17 20.498 18.752 -10.982 1.00 1.14 C ATOM 294 O VAL A 17 21.305 19.371 -11.674 1.00 42.00 O ATOM 295 CB VAL A 17 21.317 16.470 -10.390 1.00 44.03 C ATOM 296 CG1 VAL A 17 20.136 15.890 -11.152 1.00 54.13 C ATOM 297 CG2 VAL A 17 22.551 16.541 -11.277 1.00 64.41 C ATOM 0 H VAL A 17 19.339 16.984 -8.861 1.00 33.25 H new ATOM 0 HA VAL A 17 21.865 18.301 -9.388 1.00 34.22 H new ATOM 0 HB VAL A 17 21.536 15.809 -9.551 1.00 44.03 H new ATOM 0 HG11 VAL A 17 20.399 14.904 -11.536 1.00 54.13 H new ATOM 0 HG12 VAL A 17 19.279 15.802 -10.484 1.00 54.13 H new ATOM 0 HG13 VAL A 17 19.882 16.547 -11.984 1.00 54.13 H new ATOM 0 HG21 VAL A 17 22.781 15.547 -11.660 1.00 64.41 H new ATOM 0 HG22 VAL A 17 22.361 17.217 -12.111 1.00 64.41 H new ATOM 0 HG23 VAL A 17 23.396 16.910 -10.696 1.00 64.41 H new ATOM 307 N GLU A 18 19.184 18.809 -11.175 1.00 21.12 N ATOM 308 CA GLU A 18 18.603 19.621 -12.238 1.00 23.23 C ATOM 309 C GLU A 18 18.761 21.108 -11.934 1.00 72.02 C ATOM 310 O GLU A 18 18.906 21.927 -12.842 1.00 55.41 O ATOM 311 CB GLU A 18 17.123 19.280 -12.419 1.00 53.01 C ATOM 312 CG GLU A 18 16.761 18.875 -13.838 1.00 54.42 C ATOM 313 CD GLU A 18 15.382 18.251 -13.933 1.00 50.21 C ATOM 314 OE1 GLU A 18 14.671 18.227 -12.907 1.00 34.12 O ATOM 315 OE2 GLU A 18 15.015 17.787 -15.032 1.00 55.25 O ATOM 0 H GLU A 18 18.502 18.303 -10.610 1.00 21.12 H new ATOM 0 HA GLU A 18 19.135 19.399 -13.163 1.00 23.23 H new ATOM 0 HB2 GLU A 18 16.860 18.469 -11.740 1.00 53.01 H new ATOM 0 HB3 GLU A 18 16.522 20.143 -12.132 1.00 53.01 H new ATOM 0 HG2 GLU A 18 16.804 19.752 -14.484 1.00 54.42 H new ATOM 0 HG3 GLU A 18 17.502 18.168 -14.210 1.00 54.42 H new ATOM 322 N THR A 19 18.731 21.450 -10.650 1.00 11.31 N ATOM 323 CA THR A 19 18.868 22.838 -10.225 1.00 63.33 C ATOM 324 C THR A 19 20.203 23.069 -9.526 1.00 11.10 C ATOM 325 O THR A 19 20.659 24.205 -9.396 1.00 42.33 O ATOM 326 CB THR A 19 17.727 23.251 -9.277 1.00 74.24 C ATOM 327 OG1 THR A 19 17.779 22.470 -8.078 1.00 74.13 O ATOM 328 CG2 THR A 19 16.374 23.069 -9.949 1.00 14.33 C ATOM 0 H THR A 19 18.613 20.785 -9.886 1.00 11.31 H new ATOM 0 HA THR A 19 18.821 23.450 -11.126 1.00 63.33 H new ATOM 0 HB THR A 19 17.853 24.305 -9.029 1.00 74.24 H new ATOM 0 HG1 THR A 19 16.870 22.219 -7.811 1.00 74.13 H new ATOM 0 HG21 THR A 19 15.583 23.367 -9.261 1.00 14.33 H new ATOM 0 HG22 THR A 19 16.327 23.687 -10.845 1.00 14.33 H new ATOM 0 HG23 THR A 19 16.242 22.022 -10.223 1.00 14.33 H new ATOM 336 N LYS A 20 20.826 21.985 -9.077 1.00 20.11 N ATOM 337 CA LYS A 20 22.110 22.069 -8.392 1.00 25.41 C ATOM 338 C LYS A 20 21.996 22.906 -7.122 1.00 23.20 C ATOM 339 O LYS A 20 22.972 23.509 -6.674 1.00 35.03 O ATOM 340 CB LYS A 20 23.168 22.671 -9.319 1.00 41.24 C ATOM 341 CG LYS A 20 23.236 22.001 -10.681 1.00 12.41 C ATOM 342 CD LYS A 20 23.716 20.564 -10.572 1.00 31.10 C ATOM 343 CE LYS A 20 25.136 20.490 -10.031 1.00 35.11 C ATOM 344 NZ LYS A 20 26.060 19.823 -10.989 1.00 21.33 N ATOM 0 H LYS A 20 20.462 21.037 -9.175 1.00 20.11 H new ATOM 0 HA LYS A 20 22.412 21.059 -8.114 1.00 25.41 H new ATOM 0 HB2 LYS A 20 22.958 23.732 -9.455 1.00 41.24 H new ATOM 0 HB3 LYS A 20 24.144 22.598 -8.839 1.00 41.24 H new ATOM 0 HG2 LYS A 20 22.251 22.022 -11.147 1.00 12.41 H new ATOM 0 HG3 LYS A 20 23.908 22.562 -11.330 1.00 12.41 H new ATOM 0 HD2 LYS A 20 23.047 20.004 -9.918 1.00 31.10 H new ATOM 0 HD3 LYS A 20 23.674 20.090 -11.553 1.00 31.10 H new ATOM 0 HE2 LYS A 20 25.497 21.496 -9.819 1.00 35.11 H new ATOM 0 HE3 LYS A 20 25.137 19.946 -9.087 1.00 35.11 H new ATOM 0 HZ1 LYS A 20 27.017 19.792 -10.584 1.00 21.33 H new ATOM 0 HZ2 LYS A 20 25.730 18.854 -11.172 1.00 21.33 H new ATOM 0 HZ3 LYS A 20 26.079 20.356 -11.882 1.00 21.33 H new ATOM 358 N LYS A 21 20.800 22.937 -6.545 1.00 53.42 N ATOM 359 CA LYS A 21 20.558 23.698 -5.325 1.00 12.00 C ATOM 360 C LYS A 21 20.807 22.838 -4.090 1.00 13.43 C ATOM 361 O LYS A 21 21.256 21.697 -4.195 1.00 22.32 O ATOM 362 CB LYS A 21 19.123 24.231 -5.308 1.00 5.32 C ATOM 363 CG LYS A 21 19.034 25.741 -5.453 1.00 31.52 C ATOM 364 CD LYS A 21 18.251 26.136 -6.694 1.00 11.04 C ATOM 365 CE LYS A 21 16.821 25.619 -6.639 1.00 4.33 C ATOM 366 NZ LYS A 21 15.829 26.730 -6.650 1.00 64.11 N ATOM 0 H LYS A 21 19.982 22.443 -6.903 1.00 53.42 H new ATOM 0 HA LYS A 21 21.251 24.539 -5.307 1.00 12.00 H new ATOM 0 HB2 LYS A 21 18.561 23.763 -6.116 1.00 5.32 H new ATOM 0 HB3 LYS A 21 18.645 23.935 -4.374 1.00 5.32 H new ATOM 0 HG2 LYS A 21 18.556 26.165 -4.570 1.00 31.52 H new ATOM 0 HG3 LYS A 21 20.038 26.162 -5.505 1.00 31.52 H new ATOM 0 HD2 LYS A 21 18.243 27.222 -6.790 1.00 11.04 H new ATOM 0 HD3 LYS A 21 18.748 25.741 -7.580 1.00 11.04 H new ATOM 0 HE2 LYS A 21 16.640 24.962 -7.489 1.00 4.33 H new ATOM 0 HE3 LYS A 21 16.686 25.020 -5.738 1.00 4.33 H new ATOM 0 HZ1 LYS A 21 14.992 26.453 -6.099 1.00 64.11 H new ATOM 0 HZ2 LYS A 21 16.255 27.580 -6.229 1.00 64.11 H new ATOM 0 HZ3 LYS A 21 15.546 26.933 -7.630 1.00 64.11 H new ATOM 380 N THR A 22 20.510 23.393 -2.918 1.00 44.45 N ATOM 381 CA THR A 22 20.702 22.678 -1.663 1.00 74.34 C ATOM 382 C THR A 22 19.400 22.042 -1.189 1.00 72.13 C ATOM 383 O THR A 22 18.313 22.446 -1.602 1.00 50.54 O ATOM 384 CB THR A 22 21.236 23.611 -0.560 1.00 74.33 C ATOM 385 OG1 THR A 22 20.186 24.465 -0.091 1.00 25.33 O ATOM 386 CG2 THR A 22 22.390 24.455 -1.078 1.00 3.21 C ATOM 0 H THR A 22 20.135 24.336 -2.813 1.00 44.45 H new ATOM 0 HA THR A 22 21.437 21.896 -1.854 1.00 74.34 H new ATOM 0 HB THR A 22 21.598 22.995 0.263 1.00 74.33 H new ATOM 0 HG1 THR A 22 20.533 25.054 0.611 1.00 25.33 H new ATOM 0 HG21 THR A 22 22.751 25.106 -0.282 1.00 3.21 H new ATOM 0 HG22 THR A 22 23.199 23.803 -1.408 1.00 3.21 H new ATOM 0 HG23 THR A 22 22.049 25.062 -1.917 1.00 3.21 H new ATOM 394 N VAL A 23 19.517 21.044 -0.319 1.00 14.13 N ATOM 395 CA VAL A 23 18.348 20.353 0.214 1.00 41.34 C ATOM 396 C VAL A 23 17.338 21.342 0.784 1.00 54.11 C ATOM 397 O VAL A 23 16.135 21.080 0.792 1.00 14.52 O ATOM 398 CB VAL A 23 18.742 19.348 1.312 1.00 5.10 C ATOM 399 CG1 VAL A 23 19.358 18.100 0.698 1.00 75.21 C ATOM 400 CG2 VAL A 23 19.700 19.992 2.304 1.00 71.33 C ATOM 0 H VAL A 23 20.409 20.696 0.032 1.00 14.13 H new ATOM 0 HA VAL A 23 17.894 19.812 -0.616 1.00 41.34 H new ATOM 0 HB VAL A 23 17.841 19.052 1.850 1.00 5.10 H new ATOM 0 HG11 VAL A 23 19.630 17.401 1.489 1.00 75.21 H new ATOM 0 HG12 VAL A 23 18.637 17.629 0.030 1.00 75.21 H new ATOM 0 HG13 VAL A 23 20.249 18.374 0.134 1.00 75.21 H new ATOM 0 HG21 VAL A 23 19.968 19.268 3.073 1.00 71.33 H new ATOM 0 HG22 VAL A 23 20.600 20.317 1.782 1.00 71.33 H new ATOM 0 HG23 VAL A 23 19.219 20.853 2.768 1.00 71.33 H new ATOM 410 N ARG A 24 17.834 22.479 1.260 1.00 43.34 N ATOM 411 CA ARG A 24 16.975 23.508 1.833 1.00 73.13 C ATOM 412 C ARG A 24 16.094 24.141 0.759 1.00 5.11 C ATOM 413 O ARG A 24 14.940 24.485 1.011 1.00 13.25 O ATOM 414 CB ARG A 24 17.819 24.585 2.516 1.00 13.32 C ATOM 415 CG ARG A 24 16.993 25.650 3.221 1.00 64.43 C ATOM 416 CD ARG A 24 17.427 25.824 4.668 1.00 60.52 C ATOM 417 NE ARG A 24 17.227 27.191 5.139 1.00 53.44 N ATOM 418 CZ ARG A 24 17.737 27.661 6.272 1.00 73.31 C ATOM 419 NH1 ARG A 24 18.474 26.876 7.046 1.00 51.31 N ATOM 420 NH2 ARG A 24 17.510 28.917 6.633 1.00 40.34 N ATOM 0 H ARG A 24 18.827 22.711 1.260 1.00 43.34 H new ATOM 0 HA ARG A 24 16.331 23.036 2.575 1.00 73.13 H new ATOM 0 HB2 ARG A 24 18.480 24.111 3.241 1.00 13.32 H new ATOM 0 HB3 ARG A 24 18.454 25.064 1.771 1.00 13.32 H new ATOM 0 HG2 ARG A 24 17.093 26.598 2.693 1.00 64.43 H new ATOM 0 HG3 ARG A 24 15.939 25.376 3.187 1.00 64.43 H new ATOM 0 HD2 ARG A 24 16.864 25.137 5.300 1.00 60.52 H new ATOM 0 HD3 ARG A 24 18.479 25.558 4.765 1.00 60.52 H new ATOM 0 HE ARG A 24 16.664 27.820 4.566 1.00 53.44 H new ATOM 0 HH11 ARG A 24 18.650 25.909 6.772 1.00 51.31 H new ATOM 0 HH12 ARG A 24 18.865 27.239 7.916 1.00 51.31 H new ATOM 0 HH21 ARG A 24 16.943 29.523 6.040 1.00 40.34 H new ATOM 0 HH22 ARG A 24 17.902 29.276 7.503 1.00 40.34 H new ATOM 434 N VAL A 25 16.649 24.292 -0.440 1.00 15.43 N ATOM 435 CA VAL A 25 15.914 24.884 -1.552 1.00 64.41 C ATOM 436 C VAL A 25 15.096 23.831 -2.292 1.00 11.35 C ATOM 437 O VAL A 25 14.060 24.138 -2.883 1.00 3.53 O ATOM 438 CB VAL A 25 16.865 25.573 -2.549 1.00 61.50 C ATOM 439 CG1 VAL A 25 16.075 26.360 -3.583 1.00 63.25 C ATOM 440 CG2 VAL A 25 17.844 26.475 -1.814 1.00 4.11 C ATOM 0 H VAL A 25 17.604 24.013 -0.666 1.00 15.43 H new ATOM 0 HA VAL A 25 15.242 25.630 -1.127 1.00 64.41 H new ATOM 0 HB VAL A 25 17.436 24.805 -3.071 1.00 61.50 H new ATOM 0 HG11 VAL A 25 16.763 26.840 -4.279 1.00 63.25 H new ATOM 0 HG12 VAL A 25 15.418 25.684 -4.131 1.00 63.25 H new ATOM 0 HG13 VAL A 25 15.477 27.121 -3.082 1.00 63.25 H new ATOM 0 HG21 VAL A 25 18.508 26.954 -2.534 1.00 4.11 H new ATOM 0 HG22 VAL A 25 17.293 27.239 -1.265 1.00 4.11 H new ATOM 0 HG23 VAL A 25 18.433 25.880 -1.116 1.00 4.11 H new ATOM 450 N ILE A 26 15.567 22.589 -2.254 1.00 12.43 N ATOM 451 CA ILE A 26 14.877 21.491 -2.919 1.00 64.11 C ATOM 452 C ILE A 26 13.717 20.977 -2.073 1.00 44.00 C ATOM 453 O ILE A 26 12.712 20.503 -2.602 1.00 25.01 O ATOM 454 CB ILE A 26 15.836 20.324 -3.219 1.00 22.54 C ATOM 455 CG1 ILE A 26 16.955 20.782 -4.156 1.00 60.45 C ATOM 456 CG2 ILE A 26 15.074 19.155 -3.825 1.00 64.33 C ATOM 457 CD1 ILE A 26 18.340 20.421 -3.666 1.00 51.32 C ATOM 0 H ILE A 26 16.423 22.318 -1.770 1.00 12.43 H new ATOM 0 HA ILE A 26 14.491 21.884 -3.859 1.00 64.11 H new ATOM 0 HB ILE A 26 16.286 19.993 -2.283 1.00 22.54 H new ATOM 0 HG12 ILE A 26 16.799 20.338 -5.139 1.00 60.45 H new ATOM 0 HG13 ILE A 26 16.893 21.863 -4.281 1.00 60.45 H new ATOM 0 HG21 ILE A 26 15.765 18.338 -4.032 1.00 64.33 H new ATOM 0 HG22 ILE A 26 14.311 18.816 -3.125 1.00 64.33 H new ATOM 0 HG23 ILE A 26 14.599 19.472 -4.754 1.00 64.33 H new ATOM 0 HD11 ILE A 26 19.083 20.777 -4.380 1.00 51.32 H new ATOM 0 HD12 ILE A 26 18.516 20.887 -2.697 1.00 51.32 H new ATOM 0 HD13 ILE A 26 18.421 19.338 -3.568 1.00 51.32 H new ATOM 469 N ALA A 27 13.864 21.076 -0.756 1.00 15.22 N ATOM 470 CA ALA A 27 12.827 20.625 0.164 1.00 55.11 C ATOM 471 C ALA A 27 11.631 21.572 0.150 1.00 30.41 C ATOM 472 O ALA A 27 10.488 21.143 -0.011 1.00 61.14 O ATOM 473 CB ALA A 27 13.388 20.501 1.573 1.00 50.34 C ATOM 0 H ALA A 27 14.691 21.464 -0.302 1.00 15.22 H new ATOM 0 HA ALA A 27 12.485 19.644 -0.166 1.00 55.11 H new ATOM 0 HB1 ALA A 27 12.602 20.163 2.249 1.00 50.34 H new ATOM 0 HB2 ALA A 27 14.205 19.780 1.577 1.00 50.34 H new ATOM 0 HB3 ALA A 27 13.759 21.471 1.904 1.00 50.34 H new ATOM 479 N LYS A 28 11.901 22.861 0.321 1.00 2.23 N ATOM 480 CA LYS A 28 10.848 23.870 0.328 1.00 22.33 C ATOM 481 C LYS A 28 9.963 23.741 -0.907 1.00 62.23 C ATOM 482 O LYS A 28 8.772 24.047 -0.863 1.00 3.31 O ATOM 483 CB LYS A 28 11.457 25.272 0.388 1.00 5.32 C ATOM 484 CG LYS A 28 12.484 25.536 -0.699 1.00 45.33 C ATOM 485 CD LYS A 28 11.831 26.052 -1.970 1.00 52.52 C ATOM 486 CE LYS A 28 12.071 27.543 -2.155 1.00 0.02 C ATOM 487 NZ LYS A 28 12.136 27.920 -3.594 1.00 4.21 N ATOM 0 H LYS A 28 12.841 23.233 0.457 1.00 2.23 H new ATOM 0 HA LYS A 28 10.232 23.710 1.213 1.00 22.33 H new ATOM 0 HB2 LYS A 28 10.658 26.010 0.308 1.00 5.32 H new ATOM 0 HB3 LYS A 28 11.926 25.414 1.362 1.00 5.32 H new ATOM 0 HG2 LYS A 28 13.213 26.263 -0.343 1.00 45.33 H new ATOM 0 HG3 LYS A 28 13.029 24.618 -0.916 1.00 45.33 H new ATOM 0 HD2 LYS A 28 12.226 25.510 -2.829 1.00 52.52 H new ATOM 0 HD3 LYS A 28 10.759 25.857 -1.935 1.00 52.52 H new ATOM 0 HE2 LYS A 28 11.272 28.103 -1.669 1.00 0.02 H new ATOM 0 HE3 LYS A 28 13.002 27.825 -1.663 1.00 0.02 H new ATOM 0 HZ1 LYS A 28 12.301 28.943 -3.678 1.00 4.21 H new ATOM 0 HZ2 LYS A 28 12.915 27.405 -4.053 1.00 4.21 H new ATOM 0 HZ3 LYS A 28 11.238 27.675 -4.058 1.00 4.21 H new ATOM 501 N GLU A 29 10.553 23.284 -2.008 1.00 4.34 N ATOM 502 CA GLU A 29 9.817 23.115 -3.255 1.00 33.45 C ATOM 503 C GLU A 29 8.782 22.000 -3.128 1.00 63.20 C ATOM 504 O GLU A 29 7.679 22.098 -3.665 1.00 71.44 O ATOM 505 CB GLU A 29 10.779 22.805 -4.403 1.00 71.41 C ATOM 506 CG GLU A 29 11.543 24.020 -4.902 1.00 20.43 C ATOM 507 CD GLU A 29 11.385 24.236 -6.394 1.00 53.32 C ATOM 508 OE1 GLU A 29 11.199 23.238 -7.121 1.00 53.04 O ATOM 509 OE2 GLU A 29 11.447 25.403 -6.835 1.00 21.11 O ATOM 0 H GLU A 29 11.538 23.025 -2.061 1.00 4.34 H new ATOM 0 HA GLU A 29 9.296 24.048 -3.470 1.00 33.45 H new ATOM 0 HB2 GLU A 29 11.491 22.048 -4.075 1.00 71.41 H new ATOM 0 HB3 GLU A 29 10.216 22.375 -5.231 1.00 71.41 H new ATOM 0 HG2 GLU A 29 11.195 24.906 -4.372 1.00 20.43 H new ATOM 0 HG3 GLU A 29 12.601 23.902 -4.666 1.00 20.43 H new ATOM 516 N PHE A 30 9.148 20.940 -2.414 1.00 54.12 N ATOM 517 CA PHE A 30 8.253 19.805 -2.218 1.00 1.31 C ATOM 518 C PHE A 30 7.274 20.075 -1.079 1.00 41.10 C ATOM 519 O PHE A 30 6.194 19.489 -1.022 1.00 51.13 O ATOM 520 CB PHE A 30 9.059 18.538 -1.923 1.00 40.44 C ATOM 521 CG PHE A 30 9.651 17.906 -3.150 1.00 61.22 C ATOM 522 CD1 PHE A 30 10.536 18.610 -3.951 1.00 12.23 C ATOM 523 CD2 PHE A 30 9.322 16.607 -3.503 1.00 64.13 C ATOM 524 CE1 PHE A 30 11.083 18.031 -5.080 1.00 72.12 C ATOM 525 CE2 PHE A 30 9.866 16.022 -4.631 1.00 45.33 C ATOM 526 CZ PHE A 30 10.747 16.735 -5.421 1.00 53.54 C ATOM 0 H PHE A 30 10.057 20.843 -1.962 1.00 54.12 H new ATOM 0 HA PHE A 30 7.684 19.660 -3.136 1.00 1.31 H new ATOM 0 HB2 PHE A 30 9.861 18.781 -1.226 1.00 40.44 H new ATOM 0 HB3 PHE A 30 8.414 17.814 -1.426 1.00 40.44 H new ATOM 0 HD1 PHE A 30 10.801 19.624 -3.690 1.00 12.23 H new ATOM 0 HD2 PHE A 30 8.633 16.045 -2.890 1.00 64.13 H new ATOM 0 HE1 PHE A 30 11.772 18.591 -5.695 1.00 72.12 H new ATOM 0 HE2 PHE A 30 9.603 15.008 -4.895 1.00 45.33 H new ATOM 0 HZ PHE A 30 11.172 16.280 -6.303 1.00 53.54 H new ATOM 536 N GLY A 31 7.661 20.967 -0.172 1.00 44.22 N ATOM 537 CA GLY A 31 6.808 21.299 0.954 1.00 51.25 C ATOM 538 C GLY A 31 7.119 20.468 2.182 1.00 21.40 C ATOM 539 O GLY A 31 6.213 20.037 2.895 1.00 74.51 O ATOM 0 H GLY A 31 8.550 21.466 -0.197 1.00 44.22 H new ATOM 0 HA2 GLY A 31 6.925 22.356 1.195 1.00 51.25 H new ATOM 0 HA3 GLY A 31 5.766 21.150 0.673 1.00 51.25 H new ATOM 543 N VAL A 32 8.405 20.240 2.430 1.00 31.44 N ATOM 544 CA VAL A 32 8.834 19.453 3.581 1.00 54.30 C ATOM 545 C VAL A 32 10.085 20.048 4.218 1.00 54.23 C ATOM 546 O VAL A 32 10.683 20.981 3.682 1.00 71.23 O ATOM 547 CB VAL A 32 9.117 17.991 3.188 1.00 53.33 C ATOM 548 CG1 VAL A 32 7.816 17.249 2.919 1.00 4.04 C ATOM 549 CG2 VAL A 32 10.033 17.934 1.975 1.00 51.23 C ATOM 0 H VAL A 32 9.168 20.589 1.850 1.00 31.44 H new ATOM 0 HA VAL A 32 8.017 19.476 4.302 1.00 54.30 H new ATOM 0 HB VAL A 32 9.622 17.500 4.020 1.00 53.33 H new ATOM 0 HG11 VAL A 32 8.036 16.218 2.643 1.00 4.04 H new ATOM 0 HG12 VAL A 32 7.198 17.260 3.817 1.00 4.04 H new ATOM 0 HG13 VAL A 32 7.281 17.737 2.104 1.00 4.04 H new ATOM 0 HG21 VAL A 32 10.223 16.894 1.711 1.00 51.23 H new ATOM 0 HG22 VAL A 32 9.557 18.441 1.135 1.00 51.23 H new ATOM 0 HG23 VAL A 32 10.977 18.427 2.208 1.00 51.23 H new ATOM 559 N SER A 33 10.475 19.502 5.365 1.00 60.22 N ATOM 560 CA SER A 33 11.654 19.980 6.077 1.00 11.53 C ATOM 561 C SER A 33 12.901 19.220 5.636 1.00 10.24 C ATOM 562 O SER A 33 12.825 18.060 5.232 1.00 30.32 O ATOM 563 CB SER A 33 11.459 19.831 7.587 1.00 32.13 C ATOM 564 OG SER A 33 10.452 18.878 7.880 1.00 73.24 O ATOM 0 H SER A 33 9.992 18.728 5.821 1.00 60.22 H new ATOM 0 HA SER A 33 11.790 21.035 5.838 1.00 11.53 H new ATOM 0 HB2 SER A 33 12.398 19.527 8.050 1.00 32.13 H new ATOM 0 HB3 SER A 33 11.189 20.795 8.019 1.00 32.13 H new ATOM 0 HG SER A 33 10.348 18.800 8.851 1.00 73.24 H new ATOM 570 N LYS A 34 14.050 19.883 5.717 1.00 14.21 N ATOM 571 CA LYS A 34 15.315 19.272 5.328 1.00 2.33 C ATOM 572 C LYS A 34 15.534 17.956 6.067 1.00 33.05 C ATOM 573 O LYS A 34 16.169 17.039 5.547 1.00 3.23 O ATOM 574 CB LYS A 34 16.476 20.228 5.614 1.00 54.33 C ATOM 575 CG LYS A 34 16.302 21.600 4.985 1.00 1.11 C ATOM 576 CD LYS A 34 15.847 22.628 6.007 1.00 11.30 C ATOM 577 CE LYS A 34 14.676 23.449 5.488 1.00 1.24 C ATOM 578 NZ LYS A 34 14.324 24.560 6.415 1.00 0.32 N ATOM 0 H LYS A 34 14.131 20.844 6.049 1.00 14.21 H new ATOM 0 HA LYS A 34 15.276 19.066 4.258 1.00 2.33 H new ATOM 0 HB2 LYS A 34 16.584 20.343 6.693 1.00 54.33 H new ATOM 0 HB3 LYS A 34 17.401 19.783 5.247 1.00 54.33 H new ATOM 0 HG2 LYS A 34 17.245 21.920 4.541 1.00 1.11 H new ATOM 0 HG3 LYS A 34 15.573 21.541 4.177 1.00 1.11 H new ATOM 0 HD2 LYS A 34 15.559 22.123 6.929 1.00 11.30 H new ATOM 0 HD3 LYS A 34 16.677 23.291 6.253 1.00 11.30 H new ATOM 0 HE2 LYS A 34 14.925 23.858 4.509 1.00 1.24 H new ATOM 0 HE3 LYS A 34 13.810 22.801 5.352 1.00 1.24 H new ATOM 0 HZ1 LYS A 34 13.330 24.831 6.270 1.00 0.32 H new ATOM 0 HZ2 LYS A 34 14.458 24.248 7.398 1.00 0.32 H new ATOM 0 HZ3 LYS A 34 14.937 25.378 6.225 1.00 0.32 H new ATOM 592 N SER A 35 15.002 17.869 7.282 1.00 14.34 N ATOM 593 CA SER A 35 15.141 16.666 8.094 1.00 73.32 C ATOM 594 C SER A 35 14.337 15.513 7.499 1.00 41.45 C ATOM 595 O SER A 35 14.693 14.345 7.656 1.00 2.12 O ATOM 596 CB SER A 35 14.681 16.936 9.528 1.00 71.23 C ATOM 597 OG SER A 35 15.190 15.959 10.419 1.00 33.40 O ATOM 0 H SER A 35 14.470 18.618 7.726 1.00 14.34 H new ATOM 0 HA SER A 35 16.194 16.385 8.105 1.00 73.32 H new ATOM 0 HB2 SER A 35 15.014 17.926 9.840 1.00 71.23 H new ATOM 0 HB3 SER A 35 13.592 16.938 9.570 1.00 71.23 H new ATOM 0 HG SER A 35 14.883 16.155 11.329 1.00 33.40 H new ATOM 603 N THR A 36 13.249 15.851 6.813 1.00 63.13 N ATOM 604 CA THR A 36 12.393 14.846 6.194 1.00 4.53 C ATOM 605 C THR A 36 12.945 14.412 4.841 1.00 14.21 C ATOM 606 O THR A 36 12.858 13.241 4.471 1.00 51.21 O ATOM 607 CB THR A 36 10.957 15.371 6.007 1.00 62.33 C ATOM 608 OG1 THR A 36 10.405 15.750 7.272 1.00 33.42 O ATOM 609 CG2 THR A 36 10.076 14.314 5.359 1.00 73.32 C ATOM 0 H THR A 36 12.940 16.813 6.672 1.00 63.13 H new ATOM 0 HA THR A 36 12.373 13.988 6.866 1.00 4.53 H new ATOM 0 HB THR A 36 10.994 16.242 5.353 1.00 62.33 H new ATOM 0 HG1 THR A 36 10.476 16.721 7.382 1.00 33.42 H new ATOM 0 HG21 THR A 36 9.067 14.707 5.237 1.00 73.32 H new ATOM 0 HG22 THR A 36 10.483 14.049 4.383 1.00 73.32 H new ATOM 0 HG23 THR A 36 10.046 13.427 5.992 1.00 73.32 H new ATOM 617 N VAL A 37 13.513 15.363 4.106 1.00 74.22 N ATOM 618 CA VAL A 37 14.080 15.078 2.793 1.00 21.34 C ATOM 619 C VAL A 37 15.348 14.239 2.913 1.00 34.02 C ATOM 620 O VAL A 37 15.421 13.127 2.390 1.00 72.33 O ATOM 621 CB VAL A 37 14.406 16.375 2.029 1.00 23.42 C ATOM 622 CG1 VAL A 37 15.038 16.057 0.682 1.00 31.45 C ATOM 623 CG2 VAL A 37 13.153 17.218 1.853 1.00 12.55 C ATOM 0 H VAL A 37 13.593 16.337 4.397 1.00 74.22 H new ATOM 0 HA VAL A 37 13.328 14.518 2.238 1.00 21.34 H new ATOM 0 HB VAL A 37 15.124 16.950 2.614 1.00 23.42 H new ATOM 0 HG11 VAL A 37 15.261 16.986 0.157 1.00 31.45 H new ATOM 0 HG12 VAL A 37 15.960 15.496 0.836 1.00 31.45 H new ATOM 0 HG13 VAL A 37 14.346 15.461 0.087 1.00 31.45 H new ATOM 0 HG21 VAL A 37 13.402 18.131 1.311 1.00 12.55 H new ATOM 0 HG22 VAL A 37 12.410 16.653 1.290 1.00 12.55 H new ATOM 0 HG23 VAL A 37 12.748 17.476 2.831 1.00 12.55 H new ATOM 633 N HIS A 38 16.345 14.779 3.607 1.00 52.25 N ATOM 634 CA HIS A 38 17.611 14.080 3.796 1.00 33.25 C ATOM 635 C HIS A 38 17.379 12.679 4.356 1.00 50.42 C ATOM 636 O HIS A 38 18.178 11.770 4.133 1.00 63.15 O ATOM 637 CB HIS A 38 18.520 14.873 4.736 1.00 72.12 C ATOM 638 CG HIS A 38 19.568 15.670 4.023 1.00 41.31 C ATOM 639 ND1 HIS A 38 20.011 16.898 4.467 1.00 51.43 N ATOM 640 CD2 HIS A 38 20.263 15.408 2.892 1.00 65.43 C ATOM 641 CE1 HIS A 38 20.932 17.357 3.638 1.00 0.54 C ATOM 642 NE2 HIS A 38 21.104 16.471 2.674 1.00 2.42 N ATOM 0 H HIS A 38 16.301 15.698 4.048 1.00 52.25 H new ATOM 0 HA HIS A 38 18.096 13.989 2.824 1.00 33.25 H new ATOM 0 HB2 HIS A 38 17.909 15.547 5.337 1.00 72.12 H new ATOM 0 HB3 HIS A 38 19.006 14.183 5.426 1.00 72.12 H new ATOM 0 HD1 HIS A 38 19.680 17.377 5.304 1.00 51.43 H new ATOM 0 HD2 HIS A 38 20.173 14.526 2.275 1.00 65.43 H new ATOM 0 HE1 HIS A 38 21.455 18.297 3.733 1.00 0.54 H new ATOM 650 N LYS A 39 16.281 12.513 5.085 1.00 74.13 N ATOM 651 CA LYS A 39 15.942 11.224 5.676 1.00 23.21 C ATOM 652 C LYS A 39 15.812 10.149 4.601 1.00 1.43 C ATOM 653 O LYS A 39 16.432 9.089 4.692 1.00 51.55 O ATOM 654 CB LYS A 39 14.637 11.329 6.467 1.00 14.54 C ATOM 655 CG LYS A 39 14.228 10.032 7.143 1.00 24.04 C ATOM 656 CD LYS A 39 12.723 9.833 7.105 1.00 75.12 C ATOM 657 CE LYS A 39 12.160 9.562 8.492 1.00 64.21 C ATOM 658 NZ LYS A 39 11.109 8.508 8.468 1.00 71.40 N ATOM 0 H LYS A 39 15.610 13.256 5.281 1.00 74.13 H new ATOM 0 HA LYS A 39 16.748 10.941 6.353 1.00 23.21 H new ATOM 0 HB2 LYS A 39 14.743 12.106 7.224 1.00 14.54 H new ATOM 0 HB3 LYS A 39 13.839 11.646 5.795 1.00 14.54 H new ATOM 0 HG2 LYS A 39 14.719 9.193 6.650 1.00 24.04 H new ATOM 0 HG3 LYS A 39 14.569 10.037 8.178 1.00 24.04 H new ATOM 0 HD2 LYS A 39 12.248 10.720 6.686 1.00 75.12 H new ATOM 0 HD3 LYS A 39 12.482 9.000 6.444 1.00 75.12 H new ATOM 0 HE2 LYS A 39 12.967 9.255 9.158 1.00 64.21 H new ATOM 0 HE3 LYS A 39 11.742 10.482 8.900 1.00 64.21 H new ATOM 0 HZ1 LYS A 39 10.751 8.353 9.432 1.00 71.40 H new ATOM 0 HZ2 LYS A 39 10.327 8.811 7.853 1.00 71.40 H new ATOM 0 HZ3 LYS A 39 11.514 7.622 8.102 1.00 71.40 H new ATOM 672 N ASP A 40 15.004 10.431 3.585 1.00 62.30 N ATOM 673 CA ASP A 40 14.795 9.489 2.491 1.00 1.12 C ATOM 674 C ASP A 40 15.906 9.607 1.452 1.00 1.45 C ATOM 675 O ASP A 40 16.316 8.614 0.851 1.00 44.13 O ATOM 676 CB ASP A 40 13.436 9.733 1.833 1.00 63.12 C ATOM 677 CG ASP A 40 12.301 9.067 2.584 1.00 31.45 C ATOM 678 OD1 ASP A 40 12.545 8.020 3.221 1.00 14.50 O ATOM 679 OD2 ASP A 40 11.168 9.591 2.536 1.00 62.35 O ATOM 0 H ASP A 40 14.483 11.304 3.496 1.00 62.30 H new ATOM 0 HA ASP A 40 14.814 8.480 2.904 1.00 1.12 H new ATOM 0 HB2 ASP A 40 13.250 10.806 1.777 1.00 63.12 H new ATOM 0 HB3 ASP A 40 13.459 9.359 0.809 1.00 63.12 H new ATOM 684 N LEU A 41 16.388 10.828 1.246 1.00 24.11 N ATOM 685 CA LEU A 41 17.452 11.077 0.279 1.00 73.11 C ATOM 686 C LEU A 41 18.708 10.290 0.636 1.00 24.24 C ATOM 687 O LEU A 41 19.585 10.083 -0.203 1.00 42.03 O ATOM 688 CB LEU A 41 17.772 12.571 0.217 1.00 4.35 C ATOM 689 CG LEU A 41 16.926 13.400 -0.749 1.00 52.31 C ATOM 690 CD1 LEU A 41 17.572 13.441 -2.125 1.00 61.51 C ATOM 691 CD2 LEU A 41 15.514 12.840 -0.837 1.00 71.40 C ATOM 0 H LEU A 41 16.059 11.660 1.735 1.00 24.11 H new ATOM 0 HA LEU A 41 17.105 10.745 -0.700 1.00 73.11 H new ATOM 0 HB2 LEU A 41 17.658 12.988 1.218 1.00 4.35 H new ATOM 0 HB3 LEU A 41 18.820 12.686 -0.059 1.00 4.35 H new ATOM 0 HG LEU A 41 16.868 14.419 -0.367 1.00 52.31 H new ATOM 0 HD11 LEU A 41 16.955 14.036 -2.799 1.00 61.51 H new ATOM 0 HD12 LEU A 41 18.562 13.890 -2.049 1.00 61.51 H new ATOM 0 HD13 LEU A 41 17.662 12.427 -2.515 1.00 61.51 H new ATOM 0 HD21 LEU A 41 14.926 13.443 -1.529 1.00 71.40 H new ATOM 0 HD22 LEU A 41 15.552 11.811 -1.194 1.00 71.40 H new ATOM 0 HD23 LEU A 41 15.051 12.865 0.149 1.00 71.40 H new ATOM 703 N THR A 42 18.789 9.850 1.889 1.00 40.24 N ATOM 704 CA THR A 42 19.937 9.085 2.357 1.00 23.15 C ATOM 705 C THR A 42 19.526 7.679 2.780 1.00 52.23 C ATOM 706 O THR A 42 20.350 6.898 3.253 1.00 21.20 O ATOM 707 CB THR A 42 20.631 9.782 3.543 1.00 41.32 C ATOM 708 OG1 THR A 42 19.769 9.778 4.687 1.00 65.55 O ATOM 709 CG2 THR A 42 21.002 11.214 3.187 1.00 53.13 C ATOM 0 H THR A 42 18.073 10.011 2.597 1.00 40.24 H new ATOM 0 HA THR A 42 20.635 9.021 1.522 1.00 23.15 H new ATOM 0 HB THR A 42 21.544 9.233 3.775 1.00 41.32 H new ATOM 0 HG1 THR A 42 19.119 10.508 4.610 1.00 65.55 H new ATOM 0 HG21 THR A 42 21.491 11.686 4.039 1.00 53.13 H new ATOM 0 HG22 THR A 42 21.681 11.213 2.334 1.00 53.13 H new ATOM 0 HG23 THR A 42 20.100 11.771 2.932 1.00 53.13 H new ATOM 717 N GLU A 43 18.246 7.364 2.605 1.00 41.35 N ATOM 718 CA GLU A 43 17.727 6.051 2.968 1.00 14.33 C ATOM 719 C GLU A 43 17.098 5.361 1.761 1.00 40.30 C ATOM 720 O GLU A 43 17.668 4.424 1.202 1.00 51.10 O ATOM 721 CB GLU A 43 16.695 6.180 4.091 1.00 74.44 C ATOM 722 CG GLU A 43 17.309 6.439 5.456 1.00 61.12 C ATOM 723 CD GLU A 43 17.478 5.171 6.270 1.00 63.22 C ATOM 724 OE1 GLU A 43 17.968 4.167 5.711 1.00 10.31 O ATOM 725 OE2 GLU A 43 17.121 5.183 7.467 1.00 71.35 O ATOM 0 H GLU A 43 17.550 8.000 2.214 1.00 41.35 H new ATOM 0 HA GLU A 43 18.561 5.443 3.318 1.00 14.33 H new ATOM 0 HB2 GLU A 43 16.009 6.992 3.851 1.00 74.44 H new ATOM 0 HB3 GLU A 43 16.103 5.266 4.136 1.00 74.44 H new ATOM 0 HG2 GLU A 43 18.280 6.917 5.328 1.00 61.12 H new ATOM 0 HG3 GLU A 43 16.680 7.138 6.006 1.00 61.12 H new ATOM 732 N ARG A 44 15.920 5.832 1.365 1.00 32.31 N ATOM 733 CA ARG A 44 15.212 5.260 0.226 1.00 63.41 C ATOM 734 C ARG A 44 15.923 5.599 -1.081 1.00 75.03 C ATOM 735 O ARG A 44 16.174 4.723 -1.910 1.00 33.44 O ATOM 736 CB ARG A 44 13.771 5.772 0.184 1.00 64.32 C ATOM 737 CG ARG A 44 12.880 5.170 1.258 1.00 53.32 C ATOM 738 CD ARG A 44 11.863 4.209 0.663 1.00 34.33 C ATOM 739 NE ARG A 44 12.494 3.004 0.132 1.00 30.20 N ATOM 740 CZ ARG A 44 13.005 2.044 0.895 1.00 12.14 C ATOM 741 NH1 ARG A 44 12.958 2.148 2.216 1.00 4.04 N ATOM 742 NH2 ARG A 44 13.563 0.977 0.338 1.00 40.44 N ATOM 0 H ARG A 44 15.436 6.608 1.816 1.00 32.31 H new ATOM 0 HA ARG A 44 15.201 4.176 0.343 1.00 63.41 H new ATOM 0 HB2 ARG A 44 13.776 6.856 0.294 1.00 64.32 H new ATOM 0 HB3 ARG A 44 13.345 5.553 -0.795 1.00 64.32 H new ATOM 0 HG2 ARG A 44 13.494 4.645 1.990 1.00 53.32 H new ATOM 0 HG3 ARG A 44 12.361 5.967 1.791 1.00 53.32 H new ATOM 0 HD2 ARG A 44 11.137 3.931 1.427 1.00 34.33 H new ATOM 0 HD3 ARG A 44 11.313 4.711 -0.133 1.00 34.33 H new ATOM 0 HE ARG A 44 12.545 2.893 -0.881 1.00 30.20 H new ATOM 0 HH11 ARG A 44 12.529 2.966 2.648 1.00 4.04 H new ATOM 0 HH12 ARG A 44 13.351 1.410 2.800 1.00 4.04 H new ATOM 0 HH21 ARG A 44 13.600 0.893 -0.678 1.00 40.44 H new ATOM 0 HH22 ARG A 44 13.955 0.241 0.926 1.00 40.44 H new ATOM 756 N LEU A 45 16.243 6.876 -1.260 1.00 61.31 N ATOM 757 CA LEU A 45 16.924 7.332 -2.467 1.00 21.21 C ATOM 758 C LEU A 45 18.052 6.379 -2.849 1.00 31.51 C ATOM 759 O LEU A 45 18.080 5.818 -3.945 1.00 51.40 O ATOM 760 CB LEU A 45 17.481 8.742 -2.260 1.00 74.43 C ATOM 761 CG LEU A 45 18.723 9.099 -3.077 1.00 0.13 C ATOM 762 CD1 LEU A 45 18.515 8.755 -4.543 1.00 63.33 C ATOM 763 CD2 LEU A 45 19.061 10.574 -2.916 1.00 14.21 C ATOM 0 H LEU A 45 16.042 7.614 -0.585 1.00 61.31 H new ATOM 0 HA LEU A 45 16.198 7.350 -3.279 1.00 21.21 H new ATOM 0 HB2 LEU A 45 16.696 9.460 -2.497 1.00 74.43 H new ATOM 0 HB3 LEU A 45 17.718 8.866 -1.203 1.00 74.43 H new ATOM 0 HG LEU A 45 19.562 8.511 -2.703 1.00 0.13 H new ATOM 0 HD11 LEU A 45 19.409 9.016 -5.108 1.00 63.33 H new ATOM 0 HD12 LEU A 45 18.322 7.687 -4.642 1.00 63.33 H new ATOM 0 HD13 LEU A 45 17.664 9.315 -4.931 1.00 63.33 H new ATOM 0 HD21 LEU A 45 19.948 10.810 -3.504 1.00 14.21 H new ATOM 0 HD22 LEU A 45 18.223 11.179 -3.263 1.00 14.21 H new ATOM 0 HD23 LEU A 45 19.254 10.790 -1.865 1.00 14.21 H new ATOM 775 N PRO A 46 19.004 6.187 -1.924 1.00 20.12 N ATOM 776 CA PRO A 46 20.150 5.299 -2.140 1.00 3.03 C ATOM 777 C PRO A 46 19.747 3.829 -2.171 1.00 20.23 C ATOM 778 O PRO A 46 20.351 3.025 -2.880 1.00 42.54 O ATOM 779 CB PRO A 46 21.050 5.582 -0.934 1.00 32.52 C ATOM 780 CG PRO A 46 20.123 6.073 0.123 1.00 14.44 C ATOM 781 CD PRO A 46 19.035 6.822 -0.596 1.00 35.25 C ATOM 0 HA PRO A 46 20.631 5.481 -3.101 1.00 3.03 H new ATOM 0 HB2 PRO A 46 21.576 4.683 -0.613 1.00 32.52 H new ATOM 0 HB3 PRO A 46 21.809 6.327 -1.172 1.00 32.52 H new ATOM 0 HG2 PRO A 46 19.711 5.243 0.697 1.00 14.44 H new ATOM 0 HG3 PRO A 46 20.643 6.722 0.828 1.00 14.44 H new ATOM 0 HD2 PRO A 46 18.077 6.729 -0.084 1.00 35.25 H new ATOM 0 HD3 PRO A 46 19.258 7.887 -0.665 1.00 35.25 H new ATOM 789 N GLU A 47 18.722 3.484 -1.397 1.00 3.41 N ATOM 790 CA GLU A 47 18.240 2.110 -1.337 1.00 34.23 C ATOM 791 C GLU A 47 17.719 1.656 -2.697 1.00 61.15 C ATOM 792 O GLU A 47 17.994 0.539 -3.138 1.00 1.31 O ATOM 793 CB GLU A 47 17.135 1.979 -0.286 1.00 53.34 C ATOM 794 CG GLU A 47 17.641 1.543 1.078 1.00 34.03 C ATOM 795 CD GLU A 47 17.377 0.076 1.357 1.00 73.14 C ATOM 796 OE1 GLU A 47 17.544 -0.743 0.428 1.00 11.22 O ATOM 797 OE2 GLU A 47 17.003 -0.254 2.502 1.00 41.45 O ATOM 0 H GLU A 47 18.210 4.137 -0.804 1.00 3.41 H new ATOM 0 HA GLU A 47 19.077 1.471 -1.056 1.00 34.23 H new ATOM 0 HB2 GLU A 47 16.625 2.937 -0.186 1.00 53.34 H new ATOM 0 HB3 GLU A 47 16.395 1.259 -0.637 1.00 53.34 H new ATOM 0 HG2 GLU A 47 18.712 1.734 1.142 1.00 34.03 H new ATOM 0 HG3 GLU A 47 17.163 2.147 1.849 1.00 34.03 H new ATOM 804 N ILE A 48 16.966 2.529 -3.357 1.00 52.14 N ATOM 805 CA ILE A 48 16.407 2.219 -4.668 1.00 23.25 C ATOM 806 C ILE A 48 17.352 2.651 -5.784 1.00 55.21 C ATOM 807 O ILE A 48 17.331 2.091 -6.879 1.00 42.54 O ATOM 808 CB ILE A 48 15.041 2.900 -4.873 1.00 4.01 C ATOM 809 CG1 ILE A 48 15.144 4.397 -4.575 1.00 12.33 C ATOM 810 CG2 ILE A 48 13.987 2.249 -3.990 1.00 50.51 C ATOM 811 CD1 ILE A 48 14.486 5.268 -5.622 1.00 43.31 C ATOM 0 H ILE A 48 16.729 3.457 -3.006 1.00 52.14 H new ATOM 0 HA ILE A 48 16.273 1.138 -4.707 1.00 23.25 H new ATOM 0 HB ILE A 48 14.741 2.776 -5.914 1.00 4.01 H new ATOM 0 HG12 ILE A 48 14.687 4.599 -3.606 1.00 12.33 H new ATOM 0 HG13 ILE A 48 16.196 4.672 -4.494 1.00 12.33 H new ATOM 0 HG21 ILE A 48 13.027 2.741 -4.146 1.00 50.51 H new ATOM 0 HG22 ILE A 48 13.899 1.193 -4.246 1.00 50.51 H new ATOM 0 HG23 ILE A 48 14.278 2.346 -2.944 1.00 50.51 H new ATOM 0 HD11 ILE A 48 14.598 6.316 -5.346 1.00 43.31 H new ATOM 0 HD12 ILE A 48 14.959 5.095 -6.589 1.00 43.31 H new ATOM 0 HD13 ILE A 48 13.426 5.021 -5.687 1.00 43.31 H new ATOM 823 N ASN A 49 18.180 3.650 -5.497 1.00 53.45 N ATOM 824 CA ASN A 49 19.133 4.158 -6.477 1.00 64.34 C ATOM 825 C ASN A 49 20.381 4.704 -5.790 1.00 22.41 C ATOM 826 O ASN A 49 20.405 5.831 -5.296 1.00 43.23 O ATOM 827 CB ASN A 49 18.487 5.252 -7.330 1.00 23.42 C ATOM 828 CG ASN A 49 19.067 5.312 -8.730 1.00 24.03 C ATOM 829 OD1 ASN A 49 20.263 5.545 -8.909 1.00 12.43 O ATOM 830 ND2 ASN A 49 18.220 5.101 -9.731 1.00 4.55 N ATOM 0 H ASN A 49 18.210 4.124 -4.594 1.00 53.45 H new ATOM 0 HA ASN A 49 19.427 3.330 -7.122 1.00 64.34 H new ATOM 0 HB2 ASN A 49 17.413 5.074 -7.392 1.00 23.42 H new ATOM 0 HB3 ASN A 49 18.623 6.217 -6.842 1.00 23.42 H new ATOM 0 HD21 ASN A 49 18.553 5.128 -10.695 1.00 4.55 H new ATOM 0 HD22 ASN A 49 17.237 4.911 -9.536 1.00 4.55 H new ATOM 837 N PRO A 50 21.444 3.886 -5.757 1.00 20.14 N ATOM 838 CA PRO A 50 22.716 4.265 -5.134 1.00 14.52 C ATOM 839 C PRO A 50 23.448 5.345 -5.923 1.00 10.43 C ATOM 840 O PRO A 50 24.050 6.250 -5.344 1.00 23.33 O ATOM 841 CB PRO A 50 23.517 2.961 -5.141 1.00 3.50 C ATOM 842 CG PRO A 50 22.946 2.172 -6.268 1.00 21.12 C ATOM 843 CD PRO A 50 21.486 2.528 -6.325 1.00 3.10 C ATOM 0 HA PRO A 50 22.573 4.687 -4.139 1.00 14.52 H new ATOM 0 HB2 PRO A 50 24.580 3.150 -5.289 1.00 3.50 H new ATOM 0 HB3 PRO A 50 23.416 2.430 -4.195 1.00 3.50 H new ATOM 0 HG2 PRO A 50 23.444 2.416 -7.207 1.00 21.12 H new ATOM 0 HG3 PRO A 50 23.081 1.103 -6.104 1.00 21.12 H new ATOM 0 HD2 PRO A 50 21.107 2.508 -7.347 1.00 3.10 H new ATOM 0 HD3 PRO A 50 20.880 1.831 -5.746 1.00 3.10 H new ATOM 851 N ASP A 51 23.392 5.245 -7.246 1.00 52.31 N ATOM 852 CA ASP A 51 24.049 6.215 -8.115 1.00 11.02 C ATOM 853 C ASP A 51 23.441 7.603 -7.938 1.00 31.14 C ATOM 854 O ASP A 51 24.158 8.588 -7.754 1.00 32.42 O ATOM 855 CB ASP A 51 23.939 5.779 -9.577 1.00 15.23 C ATOM 856 CG ASP A 51 24.679 4.485 -9.852 1.00 55.04 C ATOM 857 OD1 ASP A 51 25.716 4.244 -9.201 1.00 5.23 O ATOM 858 OD2 ASP A 51 24.219 3.713 -10.719 1.00 63.43 O ATOM 0 H ASP A 51 22.898 4.502 -7.741 1.00 52.31 H new ATOM 0 HA ASP A 51 25.102 6.261 -7.836 1.00 11.02 H new ATOM 0 HB2 ASP A 51 22.888 5.656 -9.838 1.00 15.23 H new ATOM 0 HB3 ASP A 51 24.337 6.565 -10.219 1.00 15.23 H new ATOM 863 N LEU A 52 22.116 7.674 -7.995 1.00 53.32 N ATOM 864 CA LEU A 52 21.410 8.942 -7.842 1.00 4.01 C ATOM 865 C LEU A 52 21.639 9.528 -6.452 1.00 43.14 C ATOM 866 O LEU A 52 21.573 10.742 -6.261 1.00 64.14 O ATOM 867 CB LEU A 52 19.913 8.748 -8.086 1.00 32.24 C ATOM 868 CG LEU A 52 19.348 9.399 -9.349 1.00 2.25 C ATOM 869 CD1 LEU A 52 17.961 8.856 -9.655 1.00 63.31 C ATOM 870 CD2 LEU A 52 19.308 10.913 -9.196 1.00 22.33 C ATOM 0 H LEU A 52 21.508 6.869 -8.146 1.00 53.32 H new ATOM 0 HA LEU A 52 21.804 9.640 -8.580 1.00 4.01 H new ATOM 0 HB2 LEU A 52 19.708 7.678 -8.130 1.00 32.24 H new ATOM 0 HB3 LEU A 52 19.371 9.141 -7.226 1.00 32.24 H new ATOM 0 HG LEU A 52 20.004 9.155 -10.185 1.00 2.25 H new ATOM 0 HD11 LEU A 52 17.575 9.331 -10.557 1.00 63.31 H new ATOM 0 HD12 LEU A 52 18.018 7.778 -9.808 1.00 63.31 H new ATOM 0 HD13 LEU A 52 17.294 9.069 -8.819 1.00 63.31 H new ATOM 0 HD21 LEU A 52 18.903 11.360 -10.104 1.00 22.33 H new ATOM 0 HD22 LEU A 52 18.675 11.176 -8.349 1.00 22.33 H new ATOM 0 HD23 LEU A 52 20.317 11.288 -9.026 1.00 22.33 H new ATOM 882 N ALA A 53 21.911 8.657 -5.486 1.00 15.11 N ATOM 883 CA ALA A 53 22.154 9.089 -4.115 1.00 34.50 C ATOM 884 C ALA A 53 23.458 9.872 -4.009 1.00 73.30 C ATOM 885 O ALA A 53 23.619 10.709 -3.123 1.00 3.24 O ATOM 886 CB ALA A 53 22.179 7.888 -3.181 1.00 23.04 C ATOM 0 H ALA A 53 21.969 7.648 -5.627 1.00 15.11 H new ATOM 0 HA ALA A 53 21.340 9.750 -3.818 1.00 34.50 H new ATOM 0 HB1 ALA A 53 22.361 8.225 -2.160 1.00 23.04 H new ATOM 0 HB2 ALA A 53 21.220 7.371 -3.227 1.00 23.04 H new ATOM 0 HB3 ALA A 53 22.973 7.207 -3.486 1.00 23.04 H new ATOM 892 N ASN A 54 24.386 9.593 -4.919 1.00 33.23 N ATOM 893 CA ASN A 54 25.677 10.271 -4.926 1.00 71.21 C ATOM 894 C ASN A 54 25.517 11.740 -5.303 1.00 45.54 C ATOM 895 O ASN A 54 26.214 12.606 -4.774 1.00 35.13 O ATOM 896 CB ASN A 54 26.632 9.583 -5.903 1.00 62.43 C ATOM 897 CG ASN A 54 27.703 8.776 -5.194 1.00 12.10 C ATOM 898 OD1 ASN A 54 28.583 9.333 -4.538 1.00 41.52 O ATOM 899 ND2 ASN A 54 27.632 7.456 -5.323 1.00 11.31 N ATOM 0 H ASN A 54 24.268 8.903 -5.660 1.00 33.23 H new ATOM 0 HA ASN A 54 26.095 10.216 -3.921 1.00 71.21 H new ATOM 0 HB2 ASN A 54 26.063 8.927 -6.562 1.00 62.43 H new ATOM 0 HB3 ASN A 54 27.106 10.335 -6.534 1.00 62.43 H new ATOM 0 HD21 ASN A 54 28.325 6.861 -4.868 1.00 11.31 H new ATOM 0 HD22 ASN A 54 26.885 7.037 -5.877 1.00 11.31 H new ATOM 906 N GLU A 55 24.596 12.013 -6.222 1.00 12.53 N ATOM 907 CA GLU A 55 24.345 13.378 -6.669 1.00 44.54 C ATOM 908 C GLU A 55 24.048 14.294 -5.485 1.00 63.31 C ATOM 909 O GLU A 55 24.731 15.297 -5.275 1.00 34.44 O ATOM 910 CB GLU A 55 23.177 13.409 -7.657 1.00 61.31 C ATOM 911 CG GLU A 55 23.291 12.377 -8.767 1.00 5.31 C ATOM 912 CD GLU A 55 22.251 12.571 -9.853 1.00 1.01 C ATOM 913 OE1 GLU A 55 21.282 13.323 -9.618 1.00 33.45 O ATOM 914 OE2 GLU A 55 22.406 11.972 -10.937 1.00 74.52 O ATOM 0 H GLU A 55 24.012 11.308 -6.671 1.00 12.53 H new ATOM 0 HA GLU A 55 25.244 13.739 -7.169 1.00 44.54 H new ATOM 0 HB2 GLU A 55 22.247 13.244 -7.113 1.00 61.31 H new ATOM 0 HB3 GLU A 55 23.114 14.402 -8.101 1.00 61.31 H new ATOM 0 HG2 GLU A 55 24.286 12.432 -9.208 1.00 5.31 H new ATOM 0 HG3 GLU A 55 23.185 11.379 -8.342 1.00 5.31 H new ATOM 921 N VAL A 56 23.024 13.941 -4.714 1.00 63.14 N ATOM 922 CA VAL A 56 22.636 14.729 -3.551 1.00 1.12 C ATOM 923 C VAL A 56 23.767 14.797 -2.531 1.00 20.33 C ATOM 924 O VAL A 56 23.859 15.745 -1.751 1.00 21.01 O ATOM 925 CB VAL A 56 21.382 14.148 -2.872 1.00 75.43 C ATOM 926 CG1 VAL A 56 21.652 12.739 -2.367 1.00 20.30 C ATOM 927 CG2 VAL A 56 20.923 15.051 -1.737 1.00 40.05 C ATOM 0 H VAL A 56 22.448 13.114 -4.874 1.00 63.14 H new ATOM 0 HA VAL A 56 22.413 15.734 -3.910 1.00 1.12 H new ATOM 0 HB VAL A 56 20.582 14.096 -3.611 1.00 75.43 H new ATOM 0 HG11 VAL A 56 20.754 12.345 -1.890 1.00 20.30 H new ATOM 0 HG12 VAL A 56 21.929 12.099 -3.205 1.00 20.30 H new ATOM 0 HG13 VAL A 56 22.467 12.762 -1.643 1.00 20.30 H new ATOM 0 HG21 VAL A 56 20.036 14.625 -1.269 1.00 40.05 H new ATOM 0 HG22 VAL A 56 21.718 15.137 -0.996 1.00 40.05 H new ATOM 0 HG23 VAL A 56 20.686 16.039 -2.131 1.00 40.05 H new ATOM 937 N LYS A 57 24.627 13.784 -2.542 1.00 5.34 N ATOM 938 CA LYS A 57 25.755 13.728 -1.619 1.00 21.00 C ATOM 939 C LYS A 57 26.888 14.635 -2.089 1.00 23.43 C ATOM 940 O LYS A 57 27.661 15.147 -1.279 1.00 55.14 O ATOM 941 CB LYS A 57 26.260 12.290 -1.486 1.00 23.50 C ATOM 942 CG LYS A 57 27.632 12.184 -0.843 1.00 22.22 C ATOM 943 CD LYS A 57 27.640 12.778 0.556 1.00 51.25 C ATOM 944 CE LYS A 57 26.804 11.949 1.518 1.00 12.03 C ATOM 945 NZ LYS A 57 27.653 11.182 2.472 1.00 51.53 N ATOM 0 H LYS A 57 24.564 12.991 -3.180 1.00 5.34 H new ATOM 0 HA LYS A 57 25.413 14.078 -0.645 1.00 21.00 H new ATOM 0 HB2 LYS A 57 25.546 11.716 -0.895 1.00 23.50 H new ATOM 0 HB3 LYS A 57 26.295 11.833 -2.475 1.00 23.50 H new ATOM 0 HG2 LYS A 57 27.933 11.137 -0.797 1.00 22.22 H new ATOM 0 HG3 LYS A 57 28.366 12.700 -1.462 1.00 22.22 H new ATOM 0 HD2 LYS A 57 28.665 12.837 0.921 1.00 51.25 H new ATOM 0 HD3 LYS A 57 27.254 13.797 0.522 1.00 51.25 H new ATOM 0 HE2 LYS A 57 26.134 12.604 2.074 1.00 12.03 H new ATOM 0 HE3 LYS A 57 26.178 11.258 0.953 1.00 12.03 H new ATOM 0 HZ1 LYS A 57 27.046 10.630 3.111 1.00 51.53 H new ATOM 0 HZ2 LYS A 57 28.275 10.538 1.943 1.00 51.53 H new ATOM 0 HZ3 LYS A 57 28.232 11.842 3.029 1.00 51.53 H new ATOM 959 N GLU A 58 26.980 14.829 -3.401 1.00 31.53 N ATOM 960 CA GLU A 58 28.019 15.674 -3.976 1.00 51.34 C ATOM 961 C GLU A 58 27.832 17.129 -3.555 1.00 32.01 C ATOM 962 O GLU A 58 28.753 17.758 -3.033 1.00 14.12 O ATOM 963 CB GLU A 58 28.006 15.568 -5.503 1.00 1.52 C ATOM 964 CG GLU A 58 28.645 14.295 -6.030 1.00 24.10 C ATOM 965 CD GLU A 58 29.190 14.454 -7.436 1.00 40.42 C ATOM 966 OE1 GLU A 58 30.203 15.165 -7.604 1.00 13.32 O ATOM 967 OE2 GLU A 58 28.603 13.867 -8.369 1.00 51.32 O ATOM 0 H GLU A 58 26.348 14.413 -4.085 1.00 31.53 H new ATOM 0 HA GLU A 58 28.982 15.327 -3.603 1.00 51.34 H new ATOM 0 HB2 GLU A 58 26.975 15.619 -5.854 1.00 1.52 H new ATOM 0 HB3 GLU A 58 28.528 16.428 -5.923 1.00 1.52 H new ATOM 0 HG2 GLU A 58 29.453 13.996 -5.363 1.00 24.10 H new ATOM 0 HG3 GLU A 58 27.908 13.492 -6.019 1.00 24.10 H new ATOM 974 N ILE A 59 26.634 17.656 -3.786 1.00 43.31 N ATOM 975 CA ILE A 59 26.326 19.036 -3.430 1.00 61.22 C ATOM 976 C ILE A 59 26.533 19.278 -1.939 1.00 44.41 C ATOM 977 O ILE A 59 26.868 20.387 -1.520 1.00 5.12 O ATOM 978 CB ILE A 59 24.877 19.403 -3.802 1.00 63.10 C ATOM 979 CG1 ILE A 59 23.890 18.590 -2.961 1.00 45.05 C ATOM 980 CG2 ILE A 59 24.636 19.169 -5.286 1.00 32.02 C ATOM 981 CD1 ILE A 59 22.442 18.929 -3.235 1.00 32.40 C ATOM 0 H ILE A 59 25.861 17.149 -4.218 1.00 43.31 H new ATOM 0 HA ILE A 59 27.009 19.668 -3.997 1.00 61.22 H new ATOM 0 HB ILE A 59 24.720 20.461 -3.591 1.00 63.10 H new ATOM 0 HG12 ILE A 59 24.049 17.529 -3.153 1.00 45.05 H new ATOM 0 HG13 ILE A 59 24.101 18.758 -1.905 1.00 45.05 H new ATOM 0 HG21 ILE A 59 23.608 19.433 -5.534 1.00 32.02 H new ATOM 0 HG22 ILE A 59 25.319 19.788 -5.868 1.00 32.02 H new ATOM 0 HG23 ILE A 59 24.808 18.119 -5.521 1.00 32.02 H new ATOM 0 HD11 ILE A 59 21.799 18.315 -2.604 1.00 32.40 H new ATOM 0 HD12 ILE A 59 22.267 19.982 -3.015 1.00 32.40 H new ATOM 0 HD13 ILE A 59 22.215 18.734 -4.283 1.00 32.40 H new ATOM 993 N LEU A 60 26.334 18.234 -1.142 1.00 51.33 N ATOM 994 CA LEU A 60 26.501 18.332 0.304 1.00 51.44 C ATOM 995 C LEU A 60 27.941 18.684 0.663 1.00 70.01 C ATOM 996 O LEU A 60 28.189 19.588 1.461 1.00 62.10 O ATOM 997 CB LEU A 60 26.103 17.016 0.973 1.00 30.13 C ATOM 998 CG LEU A 60 24.606 16.805 1.203 1.00 0.30 C ATOM 999 CD1 LEU A 60 24.351 15.457 1.858 1.00 21.22 C ATOM 1000 CD2 LEU A 60 24.033 17.930 2.053 1.00 5.11 C ATOM 0 H LEU A 60 26.057 17.310 -1.473 1.00 51.33 H new ATOM 0 HA LEU A 60 25.851 19.128 0.667 1.00 51.44 H new ATOM 0 HB2 LEU A 60 26.476 16.194 0.362 1.00 30.13 H new ATOM 0 HB3 LEU A 60 26.610 16.953 1.936 1.00 30.13 H new ATOM 0 HG LEU A 60 24.105 16.816 0.235 1.00 0.30 H new ATOM 0 HD11 LEU A 60 23.280 15.325 2.014 1.00 21.22 H new ATOM 0 HD12 LEU A 60 24.725 14.662 1.212 1.00 21.22 H new ATOM 0 HD13 LEU A 60 24.865 15.416 2.818 1.00 21.22 H new ATOM 0 HD21 LEU A 60 22.967 17.763 2.206 1.00 5.11 H new ATOM 0 HD22 LEU A 60 24.540 17.951 3.018 1.00 5.11 H new ATOM 0 HD23 LEU A 60 24.182 18.882 1.544 1.00 5.11 H new ATOM 1012 N ASP A 61 28.886 17.965 0.067 1.00 0.31 N ATOM 1013 CA ASP A 61 30.302 18.203 0.321 1.00 1.34 C ATOM 1014 C ASP A 61 30.674 19.650 0.012 1.00 1.14 C ATOM 1015 O ASP A 61 31.619 20.194 0.584 1.00 0.50 O ATOM 1016 CB ASP A 61 31.159 17.253 -0.516 1.00 44.23 C ATOM 1017 CG ASP A 61 32.628 17.321 -0.147 1.00 21.42 C ATOM 1018 OD1 ASP A 61 32.950 17.130 1.045 1.00 71.20 O ATOM 1019 OD2 ASP A 61 33.456 17.563 -1.049 1.00 40.34 O ATOM 0 H ASP A 61 28.697 17.213 -0.595 1.00 0.31 H new ATOM 0 HA ASP A 61 30.493 18.016 1.378 1.00 1.34 H new ATOM 0 HB2 ASP A 61 30.801 16.232 -0.383 1.00 44.23 H new ATOM 0 HB3 ASP A 61 31.041 17.497 -1.572 1.00 44.23 H new ATOM 1024 N TYR A 62 29.926 20.267 -0.896 1.00 31.34 N ATOM 1025 CA TYR A 62 30.179 21.649 -1.284 1.00 1.35 C ATOM 1026 C TYR A 62 29.483 22.618 -0.332 1.00 42.14 C ATOM 1027 O TYR A 62 29.913 23.760 -0.166 1.00 24.10 O ATOM 1028 CB TYR A 62 29.704 21.894 -2.717 1.00 12.14 C ATOM 1029 CG TYR A 62 29.503 23.356 -3.047 1.00 31.05 C ATOM 1030 CD1 TYR A 62 30.584 24.225 -3.131 1.00 20.51 C ATOM 1031 CD2 TYR A 62 28.232 23.868 -3.275 1.00 14.31 C ATOM 1032 CE1 TYR A 62 30.405 25.561 -3.431 1.00 72.12 C ATOM 1033 CE2 TYR A 62 28.043 25.203 -3.577 1.00 42.13 C ATOM 1034 CZ TYR A 62 29.133 26.045 -3.654 1.00 13.42 C ATOM 1035 OH TYR A 62 28.950 27.376 -3.955 1.00 22.34 O ATOM 0 H TYR A 62 29.139 19.831 -1.377 1.00 31.34 H new ATOM 0 HA TYR A 62 31.254 21.824 -1.230 1.00 1.35 H new ATOM 0 HB2 TYR A 62 30.432 21.471 -3.409 1.00 12.14 H new ATOM 0 HB3 TYR A 62 28.766 21.362 -2.876 1.00 12.14 H new ATOM 0 HD1 TYR A 62 31.582 23.849 -2.959 1.00 20.51 H new ATOM 0 HD2 TYR A 62 27.377 23.211 -3.215 1.00 14.31 H new ATOM 0 HE1 TYR A 62 31.256 26.223 -3.491 1.00 72.12 H new ATOM 0 HE2 TYR A 62 27.048 25.585 -3.752 1.00 42.13 H new ATOM 0 HH TYR A 62 27.995 27.554 -4.084 1.00 22.34 H new ATOM 1045 N HIS A 63 28.405 22.154 0.290 1.00 34.44 N ATOM 1046 CA HIS A 63 27.648 22.977 1.227 1.00 42.54 C ATOM 1047 C HIS A 63 28.421 23.170 2.528 1.00 31.20 C ATOM 1048 O HIS A 63 28.201 24.138 3.256 1.00 34.01 O ATOM 1049 CB HIS A 63 26.289 22.340 1.516 1.00 11.34 C ATOM 1050 CG HIS A 63 25.446 22.145 0.294 1.00 51.42 C ATOM 1051 ND1 HIS A 63 24.482 21.165 0.193 1.00 71.41 N ATOM 1052 CD2 HIS A 63 25.425 22.814 -0.883 1.00 63.41 C ATOM 1053 CE1 HIS A 63 23.906 21.237 -0.994 1.00 20.21 C ATOM 1054 NE2 HIS A 63 24.460 22.230 -1.666 1.00 61.31 N ATOM 0 H HIS A 63 28.035 21.212 0.163 1.00 34.44 H new ATOM 0 HA HIS A 63 27.492 23.954 0.770 1.00 42.54 H new ATOM 0 HB2 HIS A 63 26.445 21.375 1.998 1.00 11.34 H new ATOM 0 HB3 HIS A 63 25.747 22.966 2.225 1.00 11.34 H new ATOM 0 HD2 HIS A 63 26.051 23.651 -1.155 1.00 63.41 H new ATOM 0 HE1 HIS A 63 23.117 20.593 -1.353 1.00 20.21 H new ATOM 0 HE2 HIS A 63 24.211 22.516 -2.613 1.00 61.31 H new ATOM 1062 N LYS A 64 29.327 22.241 2.815 1.00 13.24 N ATOM 1063 CA LYS A 64 30.133 22.308 4.028 1.00 20.34 C ATOM 1064 C LYS A 64 31.347 23.208 3.826 1.00 42.51 C ATOM 1065 O LYS A 64 31.871 23.784 4.780 1.00 51.03 O ATOM 1066 CB LYS A 64 30.588 20.906 4.441 1.00 72.24 C ATOM 1067 CG LYS A 64 29.646 20.223 5.417 1.00 12.43 C ATOM 1068 CD LYS A 64 30.353 19.133 6.204 1.00 32.33 C ATOM 1069 CE LYS A 64 30.431 17.836 5.413 1.00 44.12 C ATOM 1070 NZ LYS A 64 30.993 16.723 6.227 1.00 70.33 N ATOM 0 H LYS A 64 29.521 21.433 2.224 1.00 13.24 H new ATOM 0 HA LYS A 64 29.516 22.732 4.821 1.00 20.34 H new ATOM 0 HB2 LYS A 64 30.684 20.287 3.549 1.00 72.24 H new ATOM 0 HB3 LYS A 64 31.578 20.973 4.891 1.00 72.24 H new ATOM 0 HG2 LYS A 64 29.235 20.962 6.105 1.00 12.43 H new ATOM 0 HG3 LYS A 64 28.805 19.793 4.872 1.00 12.43 H new ATOM 0 HD2 LYS A 64 31.359 19.464 6.463 1.00 32.33 H new ATOM 0 HD3 LYS A 64 29.824 18.958 7.141 1.00 32.33 H new ATOM 0 HE2 LYS A 64 29.435 17.563 5.063 1.00 44.12 H new ATOM 0 HE3 LYS A 64 31.049 17.987 4.528 1.00 44.12 H new ATOM 0 HZ1 LYS A 64 31.030 15.857 5.652 1.00 70.33 H new ATOM 0 HZ2 LYS A 64 31.953 16.972 6.540 1.00 70.33 H new ATOM 0 HZ3 LYS A 64 30.389 16.562 7.058 1.00 70.33 H new ATOM 1084 N SER A 65 31.789 23.327 2.578 1.00 60.01 N ATOM 1085 CA SER A 65 32.943 24.156 2.251 1.00 2.11 C ATOM 1086 C SER A 65 32.664 25.623 2.562 1.00 15.31 C ATOM 1087 O SER A 65 33.420 26.270 3.287 1.00 40.42 O ATOM 1088 CB SER A 65 33.310 23.997 0.774 1.00 23.04 C ATOM 1089 OG SER A 65 33.090 22.668 0.335 1.00 63.04 O ATOM 0 H SER A 65 31.365 22.860 1.777 1.00 60.01 H new ATOM 0 HA SER A 65 33.782 23.826 2.864 1.00 2.11 H new ATOM 0 HB2 SER A 65 32.716 24.685 0.172 1.00 23.04 H new ATOM 0 HB3 SER A 65 34.356 24.264 0.625 1.00 23.04 H new ATOM 0 HG SER A 65 33.330 22.592 -0.612 1.00 63.04 H new ATOM 1095 N ILE A 66 31.572 26.141 2.009 1.00 42.23 N ATOM 1096 CA ILE A 66 31.191 27.531 2.227 1.00 5.12 C ATOM 1097 C ILE A 66 30.403 27.688 3.523 1.00 74.13 C ATOM 1098 O ILE A 66 30.050 28.800 3.916 1.00 73.12 O ATOM 1099 CB ILE A 66 30.350 28.075 1.058 1.00 74.23 C ATOM 1100 CG1 ILE A 66 28.877 27.706 1.246 1.00 13.25 C ATOM 1101 CG2 ILE A 66 30.871 27.535 -0.266 1.00 11.22 C ATOM 1102 CD1 ILE A 66 28.627 26.215 1.283 1.00 31.22 C ATOM 0 H ILE A 66 30.936 25.619 1.407 1.00 42.23 H new ATOM 0 HA ILE A 66 32.115 28.104 2.295 1.00 5.12 H new ATOM 0 HB ILE A 66 30.435 29.162 1.044 1.00 74.23 H new ATOM 0 HG12 ILE A 66 28.515 28.150 2.174 1.00 13.25 H new ATOM 0 HG13 ILE A 66 28.295 28.144 0.435 1.00 13.25 H new ATOM 0 HG21 ILE A 66 30.266 27.929 -1.083 1.00 11.22 H new ATOM 0 HG22 ILE A 66 31.908 27.842 -0.402 1.00 11.22 H new ATOM 0 HG23 ILE A 66 30.813 26.447 -0.263 1.00 11.22 H new ATOM 0 HD11 ILE A 66 27.562 26.028 1.419 1.00 31.22 H new ATOM 0 HD12 ILE A 66 28.958 25.767 0.346 1.00 31.22 H new ATOM 0 HD13 ILE A 66 29.181 25.774 2.111 1.00 31.22 H new ATOM 1114 N ARG A 67 30.131 26.567 4.183 1.00 73.12 N ATOM 1115 CA ARG A 67 29.384 26.580 5.435 1.00 60.51 C ATOM 1116 C ARG A 67 29.977 27.591 6.412 1.00 65.53 C ATOM 1117 O ARG A 67 29.249 28.294 7.113 1.00 61.24 O ATOM 1118 CB ARG A 67 29.381 25.186 6.066 1.00 61.12 C ATOM 1119 CG ARG A 67 28.717 25.137 7.432 1.00 54.10 C ATOM 1120 CD ARG A 67 29.723 25.365 8.549 1.00 13.42 C ATOM 1121 NE ARG A 67 29.382 24.615 9.755 1.00 75.13 N ATOM 1122 CZ ARG A 67 29.961 24.815 10.933 1.00 33.33 C ATOM 1123 NH1 ARG A 67 30.904 25.737 11.064 1.00 23.12 N ATOM 1124 NH2 ARG A 67 29.596 24.092 11.984 1.00 31.43 N ATOM 0 H ARG A 67 30.417 25.639 3.872 1.00 73.12 H new ATOM 0 HA ARG A 67 28.358 26.874 5.214 1.00 60.51 H new ATOM 0 HB2 ARG A 67 28.868 24.495 5.397 1.00 61.12 H new ATOM 0 HB3 ARG A 67 30.409 24.836 6.158 1.00 61.12 H new ATOM 0 HG2 ARG A 67 27.935 25.895 7.485 1.00 54.10 H new ATOM 0 HG3 ARG A 67 28.233 24.170 7.568 1.00 54.10 H new ATOM 0 HD2 ARG A 67 30.716 25.071 8.208 1.00 13.42 H new ATOM 0 HD3 ARG A 67 29.769 26.428 8.784 1.00 13.42 H new ATOM 0 HE ARG A 67 28.659 23.898 9.689 1.00 75.13 H new ATOM 0 HH11 ARG A 67 31.187 26.295 10.259 1.00 23.12 H new ATOM 0 HH12 ARG A 67 31.347 25.888 11.970 1.00 23.12 H new ATOM 0 HH21 ARG A 67 28.870 23.382 11.887 1.00 31.43 H new ATOM 0 HH22 ARG A 67 30.041 24.246 12.889 1.00 31.43 H new ATOM 1138 N HIS A 68 31.304 27.657 6.453 1.00 45.31 N ATOM 1139 CA HIS A 68 31.996 28.582 7.344 1.00 41.22 C ATOM 1140 C HIS A 68 31.462 30.001 7.174 1.00 1.34 C ATOM 1141 O HIS A 68 31.412 30.775 8.131 1.00 14.24 O ATOM 1142 CB HIS A 68 33.501 28.555 7.073 1.00 13.20 C ATOM 1143 CG HIS A 68 34.189 27.349 7.633 1.00 34.44 C ATOM 1144 ND1 HIS A 68 35.015 26.537 6.884 1.00 15.43 N ATOM 1145 CD2 HIS A 68 34.171 26.818 8.878 1.00 31.15 C ATOM 1146 CE1 HIS A 68 35.474 25.559 7.644 1.00 72.12 C ATOM 1147 NE2 HIS A 68 34.977 25.706 8.859 1.00 42.52 N ATOM 0 H HIS A 68 31.921 27.082 5.880 1.00 45.31 H new ATOM 0 HA HIS A 68 31.814 28.264 8.371 1.00 41.22 H new ATOM 0 HB2 HIS A 68 33.669 28.592 5.997 1.00 13.20 H new ATOM 0 HB3 HIS A 68 33.954 29.451 7.497 1.00 13.20 H new ATOM 0 HD2 HIS A 68 33.624 27.198 9.728 1.00 31.15 H new ATOM 0 HE1 HIS A 68 36.142 24.773 7.326 1.00 72.12 H new ATOM 0 HE2 HIS A 68 35.162 25.094 9.654 1.00 42.52 H new ATOM 1155 N LEU A 69 31.065 30.337 5.952 1.00 65.11 N ATOM 1156 CA LEU A 69 30.536 31.664 5.657 1.00 74.34 C ATOM 1157 C LEU A 69 29.058 31.754 6.024 1.00 71.03 C ATOM 1158 O LEU A 69 28.560 32.823 6.376 1.00 10.33 O ATOM 1159 CB LEU A 69 30.726 31.992 4.175 1.00 52.22 C ATOM 1160 CG LEU A 69 32.164 31.951 3.657 1.00 1.54 C ATOM 1161 CD1 LEU A 69 32.183 31.768 2.148 1.00 44.22 C ATOM 1162 CD2 LEU A 69 32.909 33.218 4.052 1.00 10.33 C ATOM 0 H LEU A 69 31.099 29.709 5.149 1.00 65.11 H new ATOM 0 HA LEU A 69 31.086 32.390 6.257 1.00 74.34 H new ATOM 0 HB2 LEU A 69 30.130 31.292 3.589 1.00 52.22 H new ATOM 0 HB3 LEU A 69 30.322 32.987 3.989 1.00 52.22 H new ATOM 0 HG LEU A 69 32.670 31.099 4.112 1.00 1.54 H new ATOM 0 HD11 LEU A 69 33.215 31.741 1.798 1.00 44.22 H new ATOM 0 HD12 LEU A 69 31.687 30.833 1.889 1.00 44.22 H new ATOM 0 HD13 LEU A 69 31.660 32.599 1.674 1.00 44.22 H new ATOM 0 HD21 LEU A 69 33.931 33.172 3.675 1.00 10.33 H new ATOM 0 HD22 LEU A 69 32.404 34.085 3.626 1.00 10.33 H new ATOM 0 HD23 LEU A 69 32.927 33.306 5.138 1.00 10.33 H new ATOM 1174 N ARG A 70 28.363 30.624 5.940 1.00 13.43 N ATOM 1175 CA ARG A 70 26.942 30.576 6.265 1.00 61.14 C ATOM 1176 C ARG A 70 26.729 30.579 7.776 1.00 70.15 C ATOM 1177 O ARG A 70 25.677 30.990 8.264 1.00 61.05 O ATOM 1178 CB ARG A 70 26.299 29.331 5.651 1.00 63.14 C ATOM 1179 CG ARG A 70 26.632 29.136 4.180 1.00 20.24 C ATOM 1180 CD ARG A 70 25.922 27.920 3.605 1.00 11.41 C ATOM 1181 NE ARG A 70 24.476 28.114 3.533 1.00 2.23 N ATOM 1182 CZ ARG A 70 23.887 28.940 2.676 1.00 42.32 C ATOM 1183 NH1 ARG A 70 24.616 29.645 1.822 1.00 44.03 N ATOM 1184 NH2 ARG A 70 22.566 29.062 2.671 1.00 11.32 N ATOM 0 H ARG A 70 28.760 29.730 5.650 1.00 13.43 H new ATOM 0 HA ARG A 70 26.469 31.465 5.847 1.00 61.14 H new ATOM 0 HB2 ARG A 70 26.624 28.452 6.208 1.00 63.14 H new ATOM 0 HB3 ARG A 70 25.217 29.398 5.764 1.00 63.14 H new ATOM 0 HG2 ARG A 70 26.344 30.026 3.620 1.00 20.24 H new ATOM 0 HG3 ARG A 70 27.709 29.019 4.062 1.00 20.24 H new ATOM 0 HD2 ARG A 70 26.310 27.712 2.608 1.00 11.41 H new ATOM 0 HD3 ARG A 70 26.141 27.048 4.221 1.00 11.41 H new ATOM 0 HE ARG A 70 23.886 27.586 4.176 1.00 2.23 H new ATOM 0 HH11 ARG A 70 25.632 29.554 1.822 1.00 44.03 H new ATOM 0 HH12 ARG A 70 24.161 30.279 1.165 1.00 44.03 H new ATOM 0 HH21 ARG A 70 22.001 28.521 3.326 1.00 11.32 H new ATOM 0 HH22 ARG A 70 22.115 29.697 2.012 1.00 11.32 H new