USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 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= 0.407 USER MOD Set 1.2: A 36 THR OG1 : rot 84:sc= 0.442 USER MOD Set 2.1: A 15 TYR OH : rot -150:sc= -0.897 USER MOD Set 2.2: A 19 THR OG1 : rot -127:sc= 0.0727 USER MOD Set 2.3: A 21 LYS NZ :NH3+ -130:sc= 0.117 (180deg=-1.99!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 21:sc= -1.5 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -7.94! C(o=-7.9!,f=-8.5!) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -0.0035 (180deg=-0.161) USER MOD Single : A 42 THR OG1 : rot -72:sc= 1.3 USER MOD Single : A 49 ASN : amide:sc= -0.74 K(o=-0.74,f=-4.2!) 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= -6.22! C(o=-6.2!,f=-8.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -67:sc= 0.788 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.588 6.187 -4.383 1.00 32.01 N ATOM 88 CA LYS A 6 8.935 5.998 -4.906 1.00 44.05 C ATOM 89 C LYS A 6 9.220 6.977 -6.041 1.00 65.32 C ATOM 90 O LYS A 6 10.373 7.325 -6.297 1.00 74.11 O ATOM 91 CB LYS A 6 9.116 4.561 -5.401 1.00 32.01 C ATOM 92 CG LYS A 6 8.769 4.374 -6.868 1.00 12.33 C ATOM 93 CD LYS A 6 9.985 4.570 -7.758 1.00 14.53 C ATOM 94 CE LYS A 6 10.136 3.431 -8.753 1.00 62.25 C ATOM 95 NZ LYS A 6 9.457 3.728 -10.045 1.00 11.52 N ATOM 0 HA LYS A 6 9.641 6.189 -4.098 1.00 44.05 H new ATOM 0 HB2 LYS A 6 10.150 4.258 -5.240 1.00 32.01 H new ATOM 0 HB3 LYS A 6 8.492 3.898 -4.802 1.00 32.01 H new ATOM 0 HG2 LYS A 6 8.362 3.375 -7.022 1.00 12.33 H new ATOM 0 HG3 LYS A 6 7.991 5.083 -7.152 1.00 12.33 H new ATOM 0 HD2 LYS A 6 9.896 5.514 -8.295 1.00 14.53 H new ATOM 0 HD3 LYS A 6 10.881 4.637 -7.142 1.00 14.53 H new ATOM 0 HE2 LYS A 6 11.195 3.245 -8.934 1.00 62.25 H new ATOM 0 HE3 LYS A 6 9.720 2.518 -8.326 1.00 62.25 H new ATOM 0 HZ1 LYS A 6 9.583 2.927 -10.696 1.00 11.52 H new ATOM 0 HZ2 LYS A 6 8.442 3.881 -9.877 1.00 11.52 H new ATOM 0 HZ3 LYS A 6 9.871 4.584 -10.466 1.00 11.52 H new ATOM 109 N GLU A 7 8.163 7.417 -6.716 1.00 44.33 N ATOM 110 CA GLU A 7 8.302 8.357 -7.823 1.00 31.31 C ATOM 111 C GLU A 7 8.376 9.793 -7.312 1.00 34.43 C ATOM 112 O GLU A 7 8.920 10.673 -7.978 1.00 61.13 O ATOM 113 CB GLU A 7 7.130 8.210 -8.796 1.00 20.43 C ATOM 114 CG GLU A 7 6.871 6.775 -9.224 1.00 35.14 C ATOM 115 CD GLU A 7 6.121 6.685 -10.539 1.00 21.13 C ATOM 116 OE1 GLU A 7 6.599 7.268 -11.534 1.00 51.42 O ATOM 117 OE2 GLU A 7 5.057 6.032 -10.573 1.00 24.34 O ATOM 0 H GLU A 7 7.202 7.138 -6.516 1.00 44.33 H new ATOM 0 HA GLU A 7 9.230 8.128 -8.346 1.00 31.31 H new ATOM 0 HB2 GLU A 7 6.229 8.609 -8.330 1.00 20.43 H new ATOM 0 HB3 GLU A 7 7.326 8.815 -9.681 1.00 20.43 H new ATOM 0 HG2 GLU A 7 7.822 6.250 -9.316 1.00 35.14 H new ATOM 0 HG3 GLU A 7 6.299 6.266 -8.448 1.00 35.14 H new ATOM 124 N ARG A 8 7.823 10.021 -6.125 1.00 23.14 N ATOM 125 CA ARG A 8 7.824 11.349 -5.524 1.00 45.42 C ATOM 126 C ARG A 8 9.251 11.841 -5.294 1.00 33.55 C ATOM 127 O ARG A 8 9.527 13.038 -5.371 1.00 2.10 O ATOM 128 CB ARG A 8 7.058 11.335 -4.200 1.00 65.51 C ATOM 129 CG ARG A 8 6.894 12.711 -3.576 1.00 23.31 C ATOM 130 CD ARG A 8 7.134 12.674 -2.075 1.00 23.22 C ATOM 131 NE ARG A 8 6.319 13.656 -1.366 1.00 1.52 N ATOM 132 CZ ARG A 8 6.113 13.631 -0.054 1.00 10.12 C ATOM 133 NH1 ARG A 8 6.660 12.678 0.688 1.00 10.22 N ATOM 134 NH2 ARG A 8 5.359 14.561 0.519 1.00 73.34 N ATOM 0 H ARG A 8 7.369 9.303 -5.561 1.00 23.14 H new ATOM 0 HA ARG A 8 7.329 12.032 -6.214 1.00 45.42 H new ATOM 0 HB2 ARG A 8 6.072 10.901 -4.365 1.00 65.51 H new ATOM 0 HB3 ARG A 8 7.578 10.686 -3.496 1.00 65.51 H new ATOM 0 HG2 ARG A 8 7.592 13.408 -4.040 1.00 23.31 H new ATOM 0 HG3 ARG A 8 5.890 13.085 -3.776 1.00 23.31 H new ATOM 0 HD2 ARG A 8 6.910 11.677 -1.697 1.00 23.22 H new ATOM 0 HD3 ARG A 8 8.188 12.863 -1.872 1.00 23.22 H new ATOM 0 HE ARG A 8 5.884 14.402 -1.908 1.00 1.52 H new ATOM 0 HH11 ARG A 8 7.241 11.962 0.252 1.00 10.22 H new ATOM 0 HH12 ARG A 8 6.500 12.661 1.695 1.00 10.22 H new ATOM 0 HH21 ARG A 8 4.937 15.296 -0.048 1.00 73.34 H new ATOM 0 HH22 ARG A 8 5.202 14.541 1.527 1.00 73.34 H new ATOM 148 N THR A 9 10.154 10.907 -5.009 1.00 51.30 N ATOM 149 CA THR A 9 11.551 11.245 -4.765 1.00 74.54 C ATOM 150 C THR A 9 12.314 11.406 -6.075 1.00 71.40 C ATOM 151 O THR A 9 13.298 12.142 -6.144 1.00 2.31 O ATOM 152 CB THR A 9 12.246 10.171 -3.908 1.00 24.14 C ATOM 153 OG1 THR A 9 13.640 10.475 -3.778 1.00 34.34 O ATOM 154 CG2 THR A 9 12.079 8.791 -4.526 1.00 54.44 C ATOM 0 H THR A 9 9.943 9.911 -4.942 1.00 51.30 H new ATOM 0 HA THR A 9 11.558 12.192 -4.225 1.00 74.54 H new ATOM 0 HB THR A 9 11.781 10.168 -2.922 1.00 24.14 H new ATOM 0 HG1 THR A 9 13.785 11.427 -3.959 1.00 34.34 H new ATOM 0 HG21 THR A 9 12.579 8.050 -3.902 1.00 54.44 H new ATOM 0 HG22 THR A 9 11.018 8.550 -4.597 1.00 54.44 H new ATOM 0 HG23 THR A 9 12.520 8.783 -5.523 1.00 54.44 H new ATOM 162 N ILE A 10 11.854 10.713 -7.112 1.00 12.25 N ATOM 163 CA ILE A 10 12.493 10.782 -8.420 1.00 21.33 C ATOM 164 C ILE A 10 12.704 12.228 -8.854 1.00 12.35 C ATOM 165 O ILE A 10 13.787 12.601 -9.305 1.00 54.55 O ATOM 166 CB ILE A 10 11.662 10.052 -9.491 1.00 71.04 C ATOM 167 CG1 ILE A 10 11.691 8.541 -9.249 1.00 52.44 C ATOM 168 CG2 ILE A 10 12.184 10.381 -10.882 1.00 4.22 C ATOM 169 CD1 ILE A 10 13.073 7.937 -9.365 1.00 13.21 C ATOM 0 H ILE A 10 11.041 10.098 -7.071 1.00 12.25 H new ATOM 0 HA ILE A 10 13.461 10.290 -8.325 1.00 21.33 H new ATOM 0 HB ILE A 10 10.629 10.392 -9.422 1.00 71.04 H new ATOM 0 HG12 ILE A 10 11.294 8.333 -8.255 1.00 52.44 H new ATOM 0 HG13 ILE A 10 11.029 8.054 -9.965 1.00 52.44 H new ATOM 0 HG21 ILE A 10 11.586 9.857 -11.628 1.00 4.22 H new ATOM 0 HG22 ILE A 10 12.116 11.456 -11.051 1.00 4.22 H new ATOM 0 HG23 ILE A 10 13.224 10.066 -10.964 1.00 4.22 H new ATOM 0 HD11 ILE A 10 13.018 6.864 -9.181 1.00 13.21 H new ATOM 0 HD12 ILE A 10 13.465 8.114 -10.367 1.00 13.21 H new ATOM 0 HD13 ILE A 10 13.734 8.397 -8.631 1.00 13.21 H new ATOM 181 N LYS A 11 11.662 13.040 -8.712 1.00 12.44 N ATOM 182 CA LYS A 11 11.732 14.448 -9.085 1.00 53.04 C ATOM 183 C LYS A 11 12.805 15.172 -8.279 1.00 41.43 C ATOM 184 O LYS A 11 13.536 16.008 -8.812 1.00 23.21 O ATOM 185 CB LYS A 11 10.375 15.122 -8.870 1.00 11.33 C ATOM 186 CG LYS A 11 9.205 14.324 -9.417 1.00 71.55 C ATOM 187 CD LYS A 11 7.903 15.100 -9.315 1.00 11.11 C ATOM 188 CE LYS A 11 6.697 14.174 -9.356 1.00 11.12 C ATOM 189 NZ LYS A 11 6.286 13.860 -10.752 1.00 52.23 N ATOM 0 H LYS A 11 10.758 12.747 -8.341 1.00 12.44 H new ATOM 0 HA LYS A 11 11.996 14.505 -10.141 1.00 53.04 H new ATOM 0 HB2 LYS A 11 10.225 15.285 -7.803 1.00 11.33 H new ATOM 0 HB3 LYS A 11 10.387 16.104 -9.344 1.00 11.33 H new ATOM 0 HG2 LYS A 11 9.395 14.066 -10.459 1.00 71.55 H new ATOM 0 HG3 LYS A 11 9.115 13.387 -8.868 1.00 71.55 H new ATOM 0 HD2 LYS A 11 7.892 15.673 -8.388 1.00 11.11 H new ATOM 0 HD3 LYS A 11 7.840 15.817 -10.134 1.00 11.11 H new ATOM 0 HE2 LYS A 11 6.932 13.249 -8.830 1.00 11.12 H new ATOM 0 HE3 LYS A 11 5.864 14.639 -8.828 1.00 11.12 H new ATOM 0 HZ1 LYS A 11 5.461 13.227 -10.737 1.00 52.23 H new ATOM 0 HZ2 LYS A 11 6.038 14.740 -11.247 1.00 52.23 H new ATOM 0 HZ3 LYS A 11 7.072 13.393 -11.249 1.00 52.23 H new ATOM 203 N ILE A 12 12.895 14.846 -6.994 1.00 73.04 N ATOM 204 CA ILE A 12 13.881 15.464 -6.117 1.00 13.13 C ATOM 205 C ILE A 12 15.297 15.056 -6.507 1.00 70.50 C ATOM 206 O ILE A 12 16.143 15.903 -6.791 1.00 74.44 O ATOM 207 CB ILE A 12 13.637 15.087 -4.643 1.00 44.53 C ATOM 208 CG1 ILE A 12 12.213 15.461 -4.227 1.00 43.41 C ATOM 209 CG2 ILE A 12 14.655 15.775 -3.746 1.00 2.32 C ATOM 210 CD1 ILE A 12 11.894 15.117 -2.789 1.00 50.01 C ATOM 0 H ILE A 12 12.297 14.157 -6.537 1.00 73.04 H new ATOM 0 HA ILE A 12 13.773 16.543 -6.231 1.00 13.13 H new ATOM 0 HB ILE A 12 13.755 14.009 -4.534 1.00 44.53 H new ATOM 0 HG12 ILE A 12 12.068 16.531 -4.377 1.00 43.41 H new ATOM 0 HG13 ILE A 12 11.506 14.949 -4.880 1.00 43.41 H new ATOM 0 HG21 ILE A 12 14.470 15.499 -2.708 1.00 2.32 H new ATOM 0 HG22 ILE A 12 15.660 15.464 -4.031 1.00 2.32 H new ATOM 0 HG23 ILE A 12 14.565 16.856 -3.856 1.00 2.32 H new ATOM 0 HD11 ILE A 12 10.869 15.410 -2.564 1.00 50.01 H new ATOM 0 HD12 ILE A 12 12.006 14.043 -2.638 1.00 50.01 H new ATOM 0 HD13 ILE A 12 12.577 15.650 -2.127 1.00 50.01 H new ATOM 222 N GLY A 13 15.548 13.750 -6.520 1.00 62.21 N ATOM 223 CA GLY A 13 16.863 13.251 -6.879 1.00 31.13 C ATOM 224 C GLY A 13 17.321 13.748 -8.235 1.00 64.14 C ATOM 225 O GLY A 13 18.518 13.921 -8.470 1.00 74.33 O ATOM 0 H GLY A 13 14.865 13.029 -6.288 1.00 62.21 H new ATOM 0 HA2 GLY A 13 17.584 13.557 -6.121 1.00 31.13 H new ATOM 0 HA3 GLY A 13 16.846 12.161 -6.882 1.00 31.13 H new ATOM 229 N LYS A 14 16.369 13.977 -9.133 1.00 14.14 N ATOM 230 CA LYS A 14 16.680 14.457 -10.474 1.00 75.30 C ATOM 231 C LYS A 14 16.780 15.979 -10.498 1.00 62.51 C ATOM 232 O LYS A 14 17.445 16.553 -11.361 1.00 74.31 O ATOM 233 CB LYS A 14 15.611 13.990 -11.465 1.00 61.12 C ATOM 234 CG LYS A 14 15.517 12.479 -11.592 1.00 2.24 C ATOM 235 CD LYS A 14 16.149 11.987 -12.883 1.00 4.32 C ATOM 236 CE LYS A 14 15.640 10.605 -13.262 1.00 11.23 C ATOM 237 NZ LYS A 14 16.705 9.774 -13.889 1.00 54.20 N ATOM 0 H LYS A 14 15.374 13.838 -8.956 1.00 14.14 H new ATOM 0 HA LYS A 14 17.645 14.043 -10.767 1.00 75.30 H new ATOM 0 HB2 LYS A 14 14.643 14.381 -11.153 1.00 61.12 H new ATOM 0 HB3 LYS A 14 15.825 14.416 -12.445 1.00 61.12 H new ATOM 0 HG2 LYS A 14 16.012 12.010 -10.742 1.00 2.24 H new ATOM 0 HG3 LYS A 14 14.471 12.175 -11.559 1.00 2.24 H new ATOM 0 HD2 LYS A 14 15.930 12.690 -13.687 1.00 4.32 H new ATOM 0 HD3 LYS A 14 17.233 11.958 -12.771 1.00 4.32 H new ATOM 0 HE2 LYS A 14 15.262 10.101 -12.373 1.00 11.23 H new ATOM 0 HE3 LYS A 14 14.802 10.703 -13.953 1.00 11.23 H new ATOM 0 HZ1 LYS A 14 16.318 8.840 -14.133 1.00 54.20 H new ATOM 0 HZ2 LYS A 14 17.048 10.242 -14.752 1.00 54.20 H new ATOM 0 HZ3 LYS A 14 17.494 9.658 -13.221 1.00 54.20 H new ATOM 251 N TYR A 15 16.118 16.626 -9.545 1.00 63.44 N ATOM 252 CA TYR A 15 16.133 18.081 -9.458 1.00 72.02 C ATOM 253 C TYR A 15 17.407 18.573 -8.779 1.00 43.43 C ATOM 254 O TYR A 15 18.013 19.556 -9.209 1.00 71.53 O ATOM 255 CB TYR A 15 14.907 18.579 -8.690 1.00 44.01 C ATOM 256 CG TYR A 15 14.805 20.086 -8.626 1.00 15.24 C ATOM 257 CD1 TYR A 15 15.554 20.815 -7.710 1.00 20.52 C ATOM 258 CD2 TYR A 15 13.957 20.782 -9.479 1.00 65.33 C ATOM 259 CE1 TYR A 15 15.463 22.192 -7.647 1.00 31.43 C ATOM 260 CE2 TYR A 15 13.861 22.159 -9.424 1.00 61.43 C ATOM 261 CZ TYR A 15 14.616 22.859 -8.506 1.00 55.03 C ATOM 262 OH TYR A 15 14.521 24.231 -8.447 1.00 63.43 O ATOM 0 H TYR A 15 15.565 16.166 -8.822 1.00 63.44 H new ATOM 0 HA TYR A 15 16.106 18.481 -10.472 1.00 72.02 H new ATOM 0 HB2 TYR A 15 14.008 18.182 -9.161 1.00 44.01 H new ATOM 0 HB3 TYR A 15 14.938 18.182 -7.675 1.00 44.01 H new ATOM 0 HD1 TYR A 15 16.219 20.296 -7.036 1.00 20.52 H new ATOM 0 HD2 TYR A 15 13.363 20.237 -10.197 1.00 65.33 H new ATOM 0 HE1 TYR A 15 16.052 22.743 -6.929 1.00 31.43 H new ATOM 0 HE2 TYR A 15 13.199 22.684 -10.096 1.00 61.43 H new ATOM 0 HH TYR A 15 13.621 24.509 -8.718 1.00 63.43 H new ATOM 272 N ILE A 16 17.808 17.884 -7.717 1.00 22.51 N ATOM 273 CA ILE A 16 19.011 18.249 -6.979 1.00 61.41 C ATOM 274 C ILE A 16 20.207 18.395 -7.914 1.00 74.33 C ATOM 275 O ILE A 16 21.065 19.254 -7.713 1.00 21.44 O ATOM 276 CB ILE A 16 19.345 17.206 -5.896 1.00 23.10 C ATOM 277 CG1 ILE A 16 19.788 15.892 -6.542 1.00 23.51 C ATOM 278 CG2 ILE A 16 18.144 16.979 -4.991 1.00 31.14 C ATOM 279 CD1 ILE A 16 21.284 15.792 -6.745 1.00 20.13 C ATOM 0 H ILE A 16 17.318 17.069 -7.348 1.00 22.51 H new ATOM 0 HA ILE A 16 18.809 19.207 -6.500 1.00 61.41 H new ATOM 0 HB ILE A 16 20.167 17.585 -5.288 1.00 23.10 H new ATOM 0 HG12 ILE A 16 19.458 15.061 -5.919 1.00 23.51 H new ATOM 0 HG13 ILE A 16 19.291 15.785 -7.506 1.00 23.51 H new ATOM 0 HG21 ILE A 16 18.396 16.239 -4.231 1.00 31.14 H new ATOM 0 HG22 ILE A 16 17.870 17.917 -4.508 1.00 31.14 H new ATOM 0 HG23 ILE A 16 17.304 16.618 -5.585 1.00 31.14 H new ATOM 0 HD11 ILE A 16 21.525 14.835 -7.207 1.00 20.13 H new ATOM 0 HD12 ILE A 16 21.618 16.602 -7.393 1.00 20.13 H new ATOM 0 HD13 ILE A 16 21.788 15.867 -5.781 1.00 20.13 H new ATOM 291 N VAL A 17 20.255 17.551 -8.940 1.00 62.41 N ATOM 292 CA VAL A 17 21.344 17.587 -9.909 1.00 52.13 C ATOM 293 C VAL A 17 21.050 18.580 -11.029 1.00 31.53 C ATOM 294 O VAL A 17 21.965 19.153 -11.619 1.00 31.41 O ATOM 295 CB VAL A 17 21.595 16.197 -10.523 1.00 44.24 C ATOM 296 CG1 VAL A 17 20.432 15.788 -11.414 1.00 1.11 C ATOM 297 CG2 VAL A 17 22.902 16.188 -11.302 1.00 24.23 C ATOM 0 H VAL A 17 19.552 16.834 -9.122 1.00 62.41 H new ATOM 0 HA VAL A 17 22.237 17.905 -9.371 1.00 52.13 H new ATOM 0 HB VAL A 17 21.674 15.471 -9.714 1.00 44.24 H new ATOM 0 HG11 VAL A 17 20.628 14.803 -11.839 1.00 1.11 H new ATOM 0 HG12 VAL A 17 19.516 15.753 -10.824 1.00 1.11 H new ATOM 0 HG13 VAL A 17 20.317 16.514 -12.219 1.00 1.11 H new ATOM 0 HG21 VAL A 17 23.064 15.198 -11.729 1.00 24.23 H new ATOM 0 HG22 VAL A 17 22.853 16.926 -12.103 1.00 24.23 H new ATOM 0 HG23 VAL A 17 23.726 16.434 -10.632 1.00 24.23 H new ATOM 307 N GLU A 18 19.767 18.778 -11.315 1.00 31.41 N ATOM 308 CA GLU A 18 19.353 19.701 -12.365 1.00 12.35 C ATOM 309 C GLU A 18 19.681 21.142 -11.982 1.00 63.35 C ATOM 310 O GLU A 18 19.969 21.975 -12.843 1.00 30.33 O ATOM 311 CB GLU A 18 17.853 19.563 -12.634 1.00 31.12 C ATOM 312 CG GLU A 18 17.526 19.139 -14.056 1.00 4.20 C ATOM 313 CD GLU A 18 16.055 18.830 -14.249 1.00 74.22 C ATOM 314 OE1 GLU A 18 15.576 17.836 -13.663 1.00 11.42 O ATOM 315 OE2 GLU A 18 15.382 19.580 -14.986 1.00 52.24 O ATOM 0 H GLU A 18 18.997 18.312 -10.835 1.00 31.41 H new ATOM 0 HA GLU A 18 19.902 19.449 -13.272 1.00 12.35 H new ATOM 0 HB2 GLU A 18 17.434 18.834 -11.941 1.00 31.12 H new ATOM 0 HB3 GLU A 18 17.366 20.516 -12.427 1.00 31.12 H new ATOM 0 HG2 GLU A 18 17.820 19.932 -14.744 1.00 4.20 H new ATOM 0 HG3 GLU A 18 18.115 18.259 -14.313 1.00 4.20 H new ATOM 322 N THR A 19 19.636 21.429 -10.685 1.00 71.22 N ATOM 323 CA THR A 19 19.927 22.768 -10.188 1.00 75.41 C ATOM 324 C THR A 19 21.214 22.784 -9.372 1.00 63.24 C ATOM 325 O THR A 19 21.824 23.835 -9.176 1.00 44.04 O ATOM 326 CB THR A 19 18.775 23.306 -9.319 1.00 12.34 C ATOM 327 OG1 THR A 19 18.781 22.659 -8.041 1.00 41.13 O ATOM 328 CG2 THR A 19 17.433 23.083 -9.999 1.00 52.13 C ATOM 0 H THR A 19 19.401 20.752 -9.959 1.00 71.22 H new ATOM 0 HA THR A 19 20.046 23.411 -11.060 1.00 75.41 H new ATOM 0 HB THR A 19 18.922 24.378 -9.184 1.00 12.34 H new ATOM 0 HG1 THR A 19 17.893 22.286 -7.859 1.00 41.13 H new ATOM 0 HG21 THR A 19 16.635 23.471 -9.366 1.00 52.13 H new ATOM 0 HG22 THR A 19 17.420 23.602 -10.958 1.00 52.13 H new ATOM 0 HG23 THR A 19 17.280 22.016 -10.162 1.00 52.13 H new ATOM 336 N LYS A 20 21.624 21.612 -8.899 1.00 31.20 N ATOM 337 CA LYS A 20 22.841 21.490 -8.105 1.00 61.25 C ATOM 338 C LYS A 20 22.714 22.256 -6.793 1.00 11.22 C ATOM 339 O LYS A 20 23.709 22.715 -6.230 1.00 73.54 O ATOM 340 CB LYS A 20 24.044 22.008 -8.897 1.00 2.25 C ATOM 341 CG LYS A 20 24.130 21.451 -10.307 1.00 44.41 C ATOM 342 CD LYS A 20 24.419 19.960 -10.301 1.00 73.50 C ATOM 343 CE LYS A 20 25.776 19.657 -9.686 1.00 23.24 C ATOM 344 NZ LYS A 20 26.670 18.940 -10.638 1.00 14.42 N ATOM 0 H LYS A 20 21.131 20.732 -9.052 1.00 31.20 H new ATOM 0 HA LYS A 20 22.992 20.435 -7.875 1.00 61.25 H new ATOM 0 HB2 LYS A 20 23.994 23.096 -8.948 1.00 2.25 H new ATOM 0 HB3 LYS A 20 24.958 21.756 -8.359 1.00 2.25 H new ATOM 0 HG2 LYS A 20 23.193 21.639 -10.831 1.00 44.41 H new ATOM 0 HG3 LYS A 20 24.913 21.972 -10.858 1.00 44.41 H new ATOM 0 HD2 LYS A 20 23.641 19.440 -9.742 1.00 73.50 H new ATOM 0 HD3 LYS A 20 24.388 19.578 -11.322 1.00 73.50 H new ATOM 0 HE2 LYS A 20 26.249 20.588 -9.375 1.00 23.24 H new ATOM 0 HE3 LYS A 20 25.641 19.052 -8.789 1.00 23.24 H new ATOM 0 HZ1 LYS A 20 27.585 18.752 -10.181 1.00 14.42 H new ATOM 0 HZ2 LYS A 20 26.230 18.039 -10.916 1.00 14.42 H new ATOM 0 HZ3 LYS A 20 26.820 19.527 -11.483 1.00 14.42 H new ATOM 358 N LYS A 21 21.484 22.391 -6.308 1.00 61.14 N ATOM 359 CA LYS A 21 21.226 23.099 -5.060 1.00 41.12 C ATOM 360 C LYS A 21 21.276 22.144 -3.872 1.00 75.43 C ATOM 361 O LYS A 21 21.575 20.959 -4.026 1.00 75.15 O ATOM 362 CB LYS A 21 19.862 23.791 -5.115 1.00 44.51 C ATOM 363 CG LYS A 21 19.950 25.289 -5.356 1.00 34.43 C ATOM 364 CD LYS A 21 19.580 25.646 -6.786 1.00 4.14 C ATOM 365 CE LYS A 21 18.131 26.096 -6.891 1.00 45.42 C ATOM 366 NZ LYS A 21 17.200 24.942 -7.022 1.00 70.03 N ATOM 0 H LYS A 21 20.649 22.019 -6.761 1.00 61.14 H new ATOM 0 HA LYS A 21 22.004 23.852 -4.931 1.00 41.12 H new ATOM 0 HB2 LYS A 21 19.266 23.338 -5.907 1.00 44.51 H new ATOM 0 HB3 LYS A 21 19.335 23.612 -4.178 1.00 44.51 H new ATOM 0 HG2 LYS A 21 19.285 25.809 -4.666 1.00 34.43 H new ATOM 0 HG3 LYS A 21 20.962 25.634 -5.144 1.00 34.43 H new ATOM 0 HD2 LYS A 21 20.235 26.439 -7.145 1.00 4.14 H new ATOM 0 HD3 LYS A 21 19.742 24.782 -7.431 1.00 4.14 H new ATOM 0 HE2 LYS A 21 17.866 26.678 -6.008 1.00 45.42 H new ATOM 0 HE3 LYS A 21 18.017 26.754 -7.752 1.00 45.42 H new ATOM 0 HZ1 LYS A 21 16.559 25.103 -7.825 1.00 70.03 H new ATOM 0 HZ2 LYS A 21 17.746 24.072 -7.184 1.00 70.03 H new ATOM 0 HZ3 LYS A 21 16.644 24.844 -6.149 1.00 70.03 H new ATOM 380 N THR A 22 20.979 22.665 -2.686 1.00 11.40 N ATOM 381 CA THR A 22 20.989 21.859 -1.472 1.00 61.11 C ATOM 382 C THR A 22 19.587 21.373 -1.123 1.00 61.43 C ATOM 383 O THR A 22 18.592 21.939 -1.576 1.00 61.20 O ATOM 384 CB THR A 22 21.558 22.648 -0.278 1.00 42.20 C ATOM 385 OG1 THR A 22 20.600 23.611 0.174 1.00 11.31 O ATOM 386 CG2 THR A 22 22.851 23.353 -0.662 1.00 33.23 C ATOM 0 H THR A 22 20.728 23.643 -2.540 1.00 11.40 H new ATOM 0 HA THR A 22 21.630 21.000 -1.669 1.00 61.11 H new ATOM 0 HB THR A 22 21.772 21.944 0.526 1.00 42.20 H new ATOM 0 HG1 THR A 22 20.969 24.107 0.934 1.00 11.31 H new ATOM 0 HG21 THR A 22 23.234 23.904 0.197 1.00 33.23 H new ATOM 0 HG22 THR A 22 23.588 22.615 -0.978 1.00 33.23 H new ATOM 0 HG23 THR A 22 22.658 24.046 -1.481 1.00 33.23 H new ATOM 394 N VAL A 23 19.515 20.320 -0.315 1.00 31.11 N ATOM 395 CA VAL A 23 18.234 19.758 0.096 1.00 12.35 C ATOM 396 C VAL A 23 17.314 20.838 0.656 1.00 45.24 C ATOM 397 O VAL A 23 16.091 20.734 0.566 1.00 21.20 O ATOM 398 CB VAL A 23 18.418 18.657 1.157 1.00 25.13 C ATOM 399 CG1 VAL A 23 18.933 17.378 0.515 1.00 23.22 C ATOM 400 CG2 VAL A 23 19.360 19.128 2.256 1.00 54.24 C ATOM 0 H VAL A 23 20.329 19.839 0.068 1.00 31.11 H new ATOM 0 HA VAL A 23 17.780 19.323 -0.794 1.00 12.35 H new ATOM 0 HB VAL A 23 17.448 18.445 1.607 1.00 25.13 H new ATOM 0 HG11 VAL A 23 19.057 16.611 1.280 1.00 23.22 H new ATOM 0 HG12 VAL A 23 18.219 17.033 -0.232 1.00 23.22 H new ATOM 0 HG13 VAL A 23 19.893 17.572 0.037 1.00 23.22 H new ATOM 0 HG21 VAL A 23 19.479 18.338 2.997 1.00 54.24 H new ATOM 0 HG22 VAL A 23 20.331 19.369 1.824 1.00 54.24 H new ATOM 0 HG23 VAL A 23 18.946 20.015 2.735 1.00 54.24 H new ATOM 410 N ARG A 24 17.912 21.876 1.232 1.00 20.24 N ATOM 411 CA ARG A 24 17.147 22.976 1.807 1.00 32.42 C ATOM 412 C ARG A 24 16.410 23.752 0.720 1.00 41.03 C ATOM 413 O ARG A 24 15.283 24.205 0.921 1.00 43.42 O ATOM 414 CB ARG A 24 18.070 23.916 2.584 1.00 40.32 C ATOM 415 CG ARG A 24 17.370 25.158 3.111 1.00 43.53 C ATOM 416 CD ARG A 24 17.618 25.348 4.599 1.00 51.30 C ATOM 417 NE ARG A 24 19.042 25.438 4.910 1.00 41.12 N ATOM 418 CZ ARG A 24 19.785 26.508 4.650 1.00 11.32 C ATOM 419 NH1 ARG A 24 19.241 27.574 4.079 1.00 62.04 N ATOM 420 NH2 ARG A 24 21.074 26.514 4.963 1.00 45.12 N ATOM 0 H ARG A 24 18.924 21.978 1.313 1.00 20.24 H new ATOM 0 HA ARG A 24 16.410 22.555 2.491 1.00 32.42 H new ATOM 0 HB2 ARG A 24 18.507 23.372 3.422 1.00 40.32 H new ATOM 0 HB3 ARG A 24 18.893 24.220 1.937 1.00 40.32 H new ATOM 0 HG2 ARG A 24 17.723 26.034 2.567 1.00 43.53 H new ATOM 0 HG3 ARG A 24 16.299 25.079 2.927 1.00 43.53 H new ATOM 0 HD2 ARG A 24 17.115 26.254 4.937 1.00 51.30 H new ATOM 0 HD3 ARG A 24 17.179 24.516 5.149 1.00 51.30 H new ATOM 0 HE ARG A 24 19.491 24.635 5.351 1.00 41.12 H new ATOM 0 HH11 ARG A 24 18.250 27.574 3.838 1.00 62.04 H new ATOM 0 HH12 ARG A 24 19.814 28.394 3.880 1.00 62.04 H new ATOM 0 HH21 ARG A 24 21.496 25.696 5.404 1.00 45.12 H new ATOM 0 HH22 ARG A 24 21.644 27.336 4.763 1.00 45.12 H new ATOM 434 N VAL A 25 17.055 23.902 -0.433 1.00 73.02 N ATOM 435 CA VAL A 25 16.461 24.623 -1.553 1.00 21.11 C ATOM 436 C VAL A 25 15.588 23.702 -2.398 1.00 52.51 C ATOM 437 O VAL A 25 14.637 24.150 -3.040 1.00 33.43 O ATOM 438 CB VAL A 25 17.542 25.254 -2.451 1.00 20.24 C ATOM 439 CG1 VAL A 25 16.905 25.960 -3.638 1.00 21.22 C ATOM 440 CG2 VAL A 25 18.405 26.216 -1.648 1.00 65.53 C ATOM 0 H VAL A 25 17.989 23.534 -0.616 1.00 73.02 H new ATOM 0 HA VAL A 25 15.844 25.415 -1.128 1.00 21.11 H new ATOM 0 HB VAL A 25 18.182 24.459 -2.833 1.00 20.24 H new ATOM 0 HG11 VAL A 25 17.684 26.400 -4.261 1.00 21.22 H new ATOM 0 HG12 VAL A 25 16.333 25.241 -4.225 1.00 21.22 H new ATOM 0 HG13 VAL A 25 16.240 26.746 -3.280 1.00 21.22 H new ATOM 0 HG21 VAL A 25 19.164 26.653 -2.297 1.00 65.53 H new ATOM 0 HG22 VAL A 25 17.780 27.008 -1.236 1.00 65.53 H new ATOM 0 HG23 VAL A 25 18.891 25.677 -0.835 1.00 65.53 H new ATOM 450 N ILE A 26 15.917 22.415 -2.393 1.00 52.23 N ATOM 451 CA ILE A 26 15.161 21.431 -3.159 1.00 1.34 C ATOM 452 C ILE A 26 13.885 21.029 -2.428 1.00 14.01 C ATOM 453 O ILE A 26 12.878 20.696 -3.053 1.00 1.50 O ATOM 454 CB ILE A 26 15.999 20.170 -3.437 1.00 25.45 C ATOM 455 CG1 ILE A 26 17.218 20.519 -4.293 1.00 61.02 C ATOM 456 CG2 ILE A 26 15.150 19.110 -4.121 1.00 70.55 C ATOM 457 CD1 ILE A 26 18.524 20.011 -3.723 1.00 34.33 C ATOM 0 H ILE A 26 16.701 22.029 -1.868 1.00 52.23 H new ATOM 0 HA ILE A 26 14.901 21.901 -4.108 1.00 1.34 H new ATOM 0 HB ILE A 26 16.350 19.768 -2.486 1.00 25.45 H new ATOM 0 HG12 ILE A 26 17.081 20.104 -5.292 1.00 61.02 H new ATOM 0 HG13 ILE A 26 17.276 21.602 -4.403 1.00 61.02 H new ATOM 0 HG21 ILE A 26 15.757 18.225 -4.311 1.00 70.55 H new ATOM 0 HG22 ILE A 26 14.312 18.844 -3.477 1.00 70.55 H new ATOM 0 HG23 ILE A 26 14.772 19.500 -5.066 1.00 70.55 H new ATOM 0 HD11 ILE A 26 19.344 20.295 -4.383 1.00 34.33 H new ATOM 0 HD12 ILE A 26 18.684 20.446 -2.737 1.00 34.33 H new ATOM 0 HD13 ILE A 26 18.486 18.925 -3.639 1.00 34.33 H new ATOM 469 N ALA A 27 13.933 21.064 -1.100 1.00 63.42 N ATOM 470 CA ALA A 27 12.780 20.706 -0.284 1.00 13.51 C ATOM 471 C ALA A 27 11.706 21.788 -0.347 1.00 63.25 C ATOM 472 O ALA A 27 10.542 21.505 -0.629 1.00 55.43 O ATOM 473 CB ALA A 27 13.206 20.468 1.157 1.00 64.41 C ATOM 0 H ALA A 27 14.759 21.337 -0.567 1.00 63.42 H new ATOM 0 HA ALA A 27 12.356 19.785 -0.683 1.00 13.51 H new ATOM 0 HB1 ALA A 27 12.334 20.201 1.755 1.00 64.41 H new ATOM 0 HB2 ALA A 27 13.932 19.656 1.192 1.00 64.41 H new ATOM 0 HB3 ALA A 27 13.657 21.376 1.558 1.00 64.41 H new ATOM 479 N LYS A 28 12.105 23.027 -0.083 1.00 44.21 N ATOM 480 CA LYS A 28 11.178 24.152 -0.110 1.00 43.34 C ATOM 481 C LYS A 28 10.390 24.176 -1.416 1.00 44.43 C ATOM 482 O LYS A 28 9.232 24.591 -1.445 1.00 21.24 O ATOM 483 CB LYS A 28 11.937 25.470 0.064 1.00 24.40 C ATOM 484 CG LYS A 28 13.081 25.647 -0.920 1.00 0.44 C ATOM 485 CD LYS A 28 12.614 26.312 -2.204 1.00 32.41 C ATOM 486 CE LYS A 28 12.967 27.791 -2.227 1.00 20.22 C ATOM 487 NZ LYS A 28 11.810 28.631 -2.642 1.00 13.14 N ATOM 0 H LYS A 28 13.065 23.278 0.152 1.00 44.21 H new ATOM 0 HA LYS A 28 10.477 24.032 0.716 1.00 43.34 H new ATOM 0 HB2 LYS A 28 11.239 26.299 -0.050 1.00 24.40 H new ATOM 0 HB3 LYS A 28 12.331 25.522 1.079 1.00 24.40 H new ATOM 0 HG2 LYS A 28 13.866 26.249 -0.462 1.00 0.44 H new ATOM 0 HG3 LYS A 28 13.518 24.675 -1.150 1.00 0.44 H new ATOM 0 HD2 LYS A 28 13.071 25.815 -3.059 1.00 32.41 H new ATOM 0 HD3 LYS A 28 11.535 26.193 -2.305 1.00 32.41 H new ATOM 0 HE2 LYS A 28 13.303 28.100 -1.237 1.00 20.22 H new ATOM 0 HE3 LYS A 28 13.799 27.955 -2.912 1.00 20.22 H new ATOM 0 HZ1 LYS A 28 12.091 29.632 -2.645 1.00 13.14 H new ATOM 0 HZ2 LYS A 28 11.505 28.354 -3.597 1.00 13.14 H new ATOM 0 HZ3 LYS A 28 11.024 28.494 -1.974 1.00 13.14 H new ATOM 501 N GLU A 29 11.026 23.728 -2.494 1.00 43.33 N ATOM 502 CA GLU A 29 10.383 23.699 -3.803 1.00 30.34 C ATOM 503 C GLU A 29 9.206 22.727 -3.808 1.00 43.04 C ATOM 504 O GLU A 29 8.176 22.986 -4.431 1.00 11.04 O ATOM 505 CB GLU A 29 11.392 23.302 -4.883 1.00 34.23 C ATOM 506 CG GLU A 29 12.363 24.412 -5.246 1.00 0.32 C ATOM 507 CD GLU A 29 12.349 24.738 -6.727 1.00 0.54 C ATOM 508 OE1 GLU A 29 12.068 23.827 -7.533 1.00 4.31 O ATOM 509 OE2 GLU A 29 12.619 25.906 -7.079 1.00 12.02 O ATOM 0 H GLU A 29 11.985 23.380 -2.487 1.00 43.33 H new ATOM 0 HA GLU A 29 10.007 24.699 -4.018 1.00 30.34 H new ATOM 0 HB2 GLU A 29 11.956 22.435 -4.540 1.00 34.23 H new ATOM 0 HB3 GLU A 29 10.851 22.996 -5.779 1.00 34.23 H new ATOM 0 HG2 GLU A 29 12.113 25.308 -4.678 1.00 0.32 H new ATOM 0 HG3 GLU A 29 13.371 24.119 -4.952 1.00 0.32 H new ATOM 516 N PHE A 30 9.368 21.607 -3.111 1.00 50.25 N ATOM 517 CA PHE A 30 8.321 20.595 -3.037 1.00 53.10 C ATOM 518 C PHE A 30 7.321 20.928 -1.934 1.00 34.54 C ATOM 519 O PHE A 30 6.178 20.473 -1.959 1.00 33.01 O ATOM 520 CB PHE A 30 8.932 19.215 -2.788 1.00 5.04 C ATOM 521 CG PHE A 30 9.523 18.590 -4.019 1.00 22.32 C ATOM 522 CD1 PHE A 30 10.594 19.183 -4.667 1.00 65.42 C ATOM 523 CD2 PHE A 30 9.007 17.409 -4.528 1.00 54.22 C ATOM 524 CE1 PHE A 30 11.141 18.610 -5.800 1.00 73.43 C ATOM 525 CE2 PHE A 30 9.549 16.831 -5.661 1.00 11.45 C ATOM 526 CZ PHE A 30 10.616 17.433 -6.298 1.00 64.11 C ATOM 0 H PHE A 30 10.214 21.378 -2.590 1.00 50.25 H new ATOM 0 HA PHE A 30 7.793 20.583 -3.991 1.00 53.10 H new ATOM 0 HB2 PHE A 30 9.707 19.302 -2.026 1.00 5.04 H new ATOM 0 HB3 PHE A 30 8.164 18.553 -2.387 1.00 5.04 H new ATOM 0 HD1 PHE A 30 11.007 20.104 -4.283 1.00 65.42 H new ATOM 0 HD2 PHE A 30 8.172 16.935 -4.034 1.00 54.22 H new ATOM 0 HE1 PHE A 30 11.977 19.082 -6.295 1.00 73.43 H new ATOM 0 HE2 PHE A 30 9.138 15.910 -6.047 1.00 11.45 H new ATOM 0 HZ PHE A 30 11.040 16.984 -7.184 1.00 64.11 H new ATOM 536 N GLY A 31 7.761 21.724 -0.964 1.00 52.22 N ATOM 537 CA GLY A 31 6.893 22.104 0.135 1.00 21.13 C ATOM 538 C GLY A 31 7.005 21.159 1.315 1.00 31.21 C ATOM 539 O GLY A 31 5.998 20.775 1.910 1.00 11.13 O ATOM 0 H GLY A 31 8.703 22.112 -0.920 1.00 52.22 H new ATOM 0 HA2 GLY A 31 7.142 23.115 0.458 1.00 21.13 H new ATOM 0 HA3 GLY A 31 5.860 22.126 -0.212 1.00 21.13 H new ATOM 543 N VAL A 32 8.233 20.780 1.654 1.00 43.31 N ATOM 544 CA VAL A 32 8.473 19.873 2.770 1.00 4.51 C ATOM 545 C VAL A 32 9.763 20.230 3.500 1.00 3.13 C ATOM 546 O VAL A 32 10.561 21.033 3.016 1.00 11.14 O ATOM 547 CB VAL A 32 8.552 18.410 2.297 1.00 31.21 C ATOM 548 CG1 VAL A 32 7.175 17.903 1.898 1.00 75.30 C ATOM 549 CG2 VAL A 32 9.534 18.275 1.143 1.00 53.21 C ATOM 0 H VAL A 32 9.077 21.087 1.171 1.00 43.31 H new ATOM 0 HA VAL A 32 7.630 19.981 3.453 1.00 4.51 H new ATOM 0 HB VAL A 32 8.913 17.798 3.124 1.00 31.21 H new ATOM 0 HG11 VAL A 32 7.251 16.867 1.566 1.00 75.30 H new ATOM 0 HG12 VAL A 32 6.503 17.962 2.755 1.00 75.30 H new ATOM 0 HG13 VAL A 32 6.783 18.516 1.087 1.00 75.30 H new ATOM 0 HG21 VAL A 32 9.577 17.234 0.822 1.00 53.21 H new ATOM 0 HG22 VAL A 32 9.206 18.898 0.311 1.00 53.21 H new ATOM 0 HG23 VAL A 32 10.524 18.595 1.468 1.00 53.21 H new ATOM 559 N SER A 33 9.962 19.627 4.668 1.00 11.00 N ATOM 560 CA SER A 33 11.154 19.883 5.468 1.00 42.24 C ATOM 561 C SER A 33 12.295 18.959 5.053 1.00 43.54 C ATOM 562 O SER A 33 12.068 17.838 4.598 1.00 44.12 O ATOM 563 CB SER A 33 10.847 19.696 6.955 1.00 54.34 C ATOM 564 OG SER A 33 10.439 18.367 7.228 1.00 54.02 O ATOM 0 H SER A 33 9.313 18.958 5.081 1.00 11.00 H new ATOM 0 HA SER A 33 11.462 20.914 5.295 1.00 42.24 H new ATOM 0 HB2 SER A 33 11.731 19.937 7.545 1.00 54.34 H new ATOM 0 HB3 SER A 33 10.063 20.390 7.258 1.00 54.34 H new ATOM 0 HG SER A 33 10.250 18.273 8.185 1.00 54.02 H new ATOM 570 N LYS A 34 13.524 19.439 5.213 1.00 61.03 N ATOM 571 CA LYS A 34 14.703 18.658 4.857 1.00 50.22 C ATOM 572 C LYS A 34 14.686 17.300 5.551 1.00 2.33 C ATOM 573 O LYS A 34 15.149 16.303 4.997 1.00 3.42 O ATOM 574 CB LYS A 34 15.976 19.419 5.232 1.00 5.33 C ATOM 575 CG LYS A 34 16.068 20.800 4.605 1.00 74.51 C ATOM 576 CD LYS A 34 15.815 21.895 5.627 1.00 33.34 C ATOM 577 CE LYS A 34 14.903 22.977 5.071 1.00 52.23 C ATOM 578 NZ LYS A 34 14.294 23.800 6.152 1.00 32.24 N ATOM 0 H LYS A 34 13.729 20.365 5.587 1.00 61.03 H new ATOM 0 HA LYS A 34 14.689 18.495 3.779 1.00 50.22 H new ATOM 0 HB2 LYS A 34 16.024 19.518 6.316 1.00 5.33 H new ATOM 0 HB3 LYS A 34 16.843 18.833 4.927 1.00 5.33 H new ATOM 0 HG2 LYS A 34 17.055 20.935 4.163 1.00 74.51 H new ATOM 0 HG3 LYS A 34 15.343 20.882 3.796 1.00 74.51 H new ATOM 0 HD2 LYS A 34 15.365 21.463 6.521 1.00 33.34 H new ATOM 0 HD3 LYS A 34 16.764 22.338 5.930 1.00 33.34 H new ATOM 0 HE2 LYS A 34 15.471 23.622 4.401 1.00 52.23 H new ATOM 0 HE3 LYS A 34 14.114 22.516 4.477 1.00 52.23 H new ATOM 0 HZ1 LYS A 34 13.679 24.526 5.731 1.00 32.24 H new ATOM 0 HZ2 LYS A 34 13.730 23.189 6.778 1.00 32.24 H new ATOM 0 HZ3 LYS A 34 15.046 24.260 6.703 1.00 32.24 H new ATOM 592 N SER A 35 14.149 17.269 6.766 1.00 34.35 N ATOM 593 CA SER A 35 14.074 16.033 7.537 1.00 13.23 C ATOM 594 C SER A 35 13.177 15.013 6.842 1.00 22.24 C ATOM 595 O SER A 35 13.337 13.805 7.020 1.00 33.43 O ATOM 596 CB SER A 35 13.547 16.317 8.945 1.00 34.23 C ATOM 597 OG SER A 35 13.809 15.231 9.817 1.00 64.44 O ATOM 0 H SER A 35 13.759 18.085 7.238 1.00 34.35 H new ATOM 0 HA SER A 35 15.079 15.617 7.610 1.00 13.23 H new ATOM 0 HB2 SER A 35 14.013 17.222 9.336 1.00 34.23 H new ATOM 0 HB3 SER A 35 12.474 16.504 8.904 1.00 34.23 H new ATOM 0 HG SER A 35 13.464 15.438 10.710 1.00 64.44 H new ATOM 603 N THR A 36 12.232 15.508 6.049 1.00 64.22 N ATOM 604 CA THR A 36 11.309 14.641 5.327 1.00 11.35 C ATOM 605 C THR A 36 11.895 14.205 3.990 1.00 42.34 C ATOM 606 O THR A 36 11.776 13.045 3.597 1.00 65.50 O ATOM 607 CB THR A 36 9.959 15.341 5.080 1.00 61.01 C ATOM 608 OG1 THR A 36 9.356 15.698 6.329 1.00 61.03 O ATOM 609 CG2 THR A 36 9.018 14.439 4.296 1.00 52.11 C ATOM 0 H THR A 36 12.086 16.505 5.890 1.00 64.22 H new ATOM 0 HA THR A 36 11.146 13.763 5.952 1.00 11.35 H new ATOM 0 HB THR A 36 10.144 16.243 4.496 1.00 61.01 H new ATOM 0 HG1 THR A 36 9.718 16.556 6.634 1.00 61.03 H new ATOM 0 HG21 THR A 36 8.071 14.954 4.134 1.00 52.11 H new ATOM 0 HG22 THR A 36 9.467 14.193 3.334 1.00 52.11 H new ATOM 0 HG23 THR A 36 8.840 13.522 4.858 1.00 52.11 H new ATOM 617 N VAL A 37 12.529 15.143 3.293 1.00 44.11 N ATOM 618 CA VAL A 37 13.136 14.855 1.999 1.00 64.10 C ATOM 619 C VAL A 37 14.290 13.868 2.141 1.00 52.04 C ATOM 620 O VAL A 37 14.265 12.780 1.564 1.00 41.43 O ATOM 621 CB VAL A 37 13.654 16.139 1.323 1.00 33.33 C ATOM 622 CG1 VAL A 37 14.319 15.812 -0.005 1.00 54.33 C ATOM 623 CG2 VAL A 37 12.519 17.133 1.131 1.00 50.31 C ATOM 0 H VAL A 37 12.635 16.109 3.603 1.00 44.11 H new ATOM 0 HA VAL A 37 12.358 14.414 1.376 1.00 64.10 H new ATOM 0 HB VAL A 37 14.401 16.596 1.972 1.00 33.33 H new ATOM 0 HG11 VAL A 37 14.679 16.731 -0.468 1.00 54.33 H new ATOM 0 HG12 VAL A 37 15.159 15.138 0.165 1.00 54.33 H new ATOM 0 HG13 VAL A 37 13.597 15.332 -0.665 1.00 54.33 H new ATOM 0 HG21 VAL A 37 12.902 18.034 0.652 1.00 50.31 H new ATOM 0 HG22 VAL A 37 11.748 16.688 0.502 1.00 50.31 H new ATOM 0 HG23 VAL A 37 12.093 17.390 2.101 1.00 50.31 H new ATOM 633 N HIS A 38 15.300 14.254 2.913 1.00 45.31 N ATOM 634 CA HIS A 38 16.464 13.403 3.132 1.00 62.32 C ATOM 635 C HIS A 38 16.040 12.007 3.580 1.00 12.40 C ATOM 636 O HIS A 38 16.745 11.026 3.343 1.00 53.21 O ATOM 637 CB HIS A 38 17.390 14.027 4.176 1.00 21.13 C ATOM 638 CG HIS A 38 18.751 14.361 3.647 1.00 31.12 C ATOM 639 ND1 HIS A 38 19.900 14.244 4.400 1.00 45.33 N ATOM 640 CD2 HIS A 38 19.143 14.809 2.431 1.00 33.24 C ATOM 641 CE1 HIS A 38 20.940 14.608 3.670 1.00 22.43 C ATOM 642 NE2 HIS A 38 20.508 14.954 2.471 1.00 15.35 N ATOM 0 H HIS A 38 15.336 15.151 3.398 1.00 45.31 H new ATOM 0 HA HIS A 38 17.001 13.315 2.188 1.00 62.32 H new ATOM 0 HB2 HIS A 38 16.927 14.935 4.564 1.00 21.13 H new ATOM 0 HB3 HIS A 38 17.494 13.339 5.015 1.00 21.13 H new ATOM 0 HD1 HIS A 38 19.941 13.926 5.368 1.00 45.33 H new ATOM 0 HD2 HIS A 38 18.502 15.014 1.587 1.00 33.24 H new ATOM 0 HE1 HIS A 38 21.969 14.620 3.998 1.00 22.43 H new ATOM 650 N LYS A 39 14.884 11.926 4.230 1.00 53.22 N ATOM 651 CA LYS A 39 14.364 10.652 4.711 1.00 31.23 C ATOM 652 C LYS A 39 14.165 9.674 3.557 1.00 2.42 C ATOM 653 O LYS A 39 14.584 8.519 3.631 1.00 43.14 O ATOM 654 CB LYS A 39 13.040 10.863 5.448 1.00 15.42 C ATOM 655 CG LYS A 39 12.585 9.651 6.242 1.00 33.01 C ATOM 656 CD LYS A 39 11.626 10.040 7.354 1.00 15.53 C ATOM 657 CE LYS A 39 11.980 9.351 8.663 1.00 70.01 C ATOM 658 NZ LYS A 39 12.032 7.870 8.513 1.00 13.24 N ATOM 0 H LYS A 39 14.289 12.729 4.436 1.00 53.22 H new ATOM 0 HA LYS A 39 15.094 10.229 5.401 1.00 31.23 H new ATOM 0 HB2 LYS A 39 13.142 11.712 6.124 1.00 15.42 H new ATOM 0 HB3 LYS A 39 12.268 11.123 4.724 1.00 15.42 H new ATOM 0 HG2 LYS A 39 12.100 8.939 5.574 1.00 33.01 H new ATOM 0 HG3 LYS A 39 13.453 9.148 6.668 1.00 33.01 H new ATOM 0 HD2 LYS A 39 11.648 11.121 7.493 1.00 15.53 H new ATOM 0 HD3 LYS A 39 10.608 9.776 7.067 1.00 15.53 H new ATOM 0 HE2 LYS A 39 12.945 9.715 9.016 1.00 70.01 H new ATOM 0 HE3 LYS A 39 11.244 9.614 9.423 1.00 70.01 H new ATOM 0 HZ1 LYS A 39 11.937 7.423 9.447 1.00 13.24 H new ATOM 0 HZ2 LYS A 39 11.255 7.556 7.898 1.00 13.24 H new ATOM 0 HZ3 LYS A 39 12.941 7.596 8.089 1.00 13.24 H new ATOM 672 N ASP A 40 13.525 10.145 2.493 1.00 41.42 N ATOM 673 CA ASP A 40 13.273 9.313 1.322 1.00 44.42 C ATOM 674 C ASP A 40 14.463 9.345 0.367 1.00 54.11 C ATOM 675 O ASP A 40 14.776 8.348 -0.284 1.00 62.35 O ATOM 676 CB ASP A 40 12.010 9.782 0.599 1.00 50.45 C ATOM 677 CG ASP A 40 10.806 9.844 1.518 1.00 72.25 C ATOM 678 OD1 ASP A 40 10.840 9.197 2.585 1.00 22.34 O ATOM 679 OD2 ASP A 40 9.829 10.540 1.169 1.00 22.44 O ATOM 0 H ASP A 40 13.171 11.099 2.417 1.00 41.42 H new ATOM 0 HA ASP A 40 13.128 8.287 1.660 1.00 44.42 H new ATOM 0 HB2 ASP A 40 12.186 10.768 0.169 1.00 50.45 H new ATOM 0 HB3 ASP A 40 11.797 9.106 -0.229 1.00 50.45 H new ATOM 684 N LEU A 41 15.120 10.496 0.288 1.00 44.44 N ATOM 685 CA LEU A 41 16.275 10.659 -0.589 1.00 22.00 C ATOM 686 C LEU A 41 17.397 9.704 -0.194 1.00 42.12 C ATOM 687 O LEU A 41 18.313 9.447 -0.976 1.00 70.24 O ATOM 688 CB LEU A 41 16.778 12.103 -0.540 1.00 60.22 C ATOM 689 CG LEU A 41 16.115 13.078 -1.514 1.00 63.41 C ATOM 690 CD1 LEU A 41 16.825 13.054 -2.859 1.00 31.30 C ATOM 691 CD2 LEU A 41 14.640 12.744 -1.681 1.00 40.05 C ATOM 0 H LEU A 41 14.873 11.331 0.820 1.00 44.44 H new ATOM 0 HA LEU A 41 15.964 10.424 -1.607 1.00 22.00 H new ATOM 0 HB2 LEU A 41 16.638 12.481 0.473 1.00 60.22 H new ATOM 0 HB3 LEU A 41 17.851 12.100 -0.734 1.00 60.22 H new ATOM 0 HG LEU A 41 16.195 14.084 -1.102 1.00 63.41 H new ATOM 0 HD11 LEU A 41 16.340 13.754 -3.539 1.00 31.30 H new ATOM 0 HD12 LEU A 41 17.868 13.342 -2.725 1.00 31.30 H new ATOM 0 HD13 LEU A 41 16.777 12.049 -3.278 1.00 31.30 H new ATOM 0 HD21 LEU A 41 14.184 13.448 -2.377 1.00 40.05 H new ATOM 0 HD22 LEU A 41 14.538 11.731 -2.070 1.00 40.05 H new ATOM 0 HD23 LEU A 41 14.140 12.814 -0.715 1.00 40.05 H new ATOM 703 N THR A 42 17.319 9.179 1.025 1.00 70.24 N ATOM 704 CA THR A 42 18.327 8.252 1.523 1.00 33.54 C ATOM 705 C THR A 42 17.721 6.882 1.808 1.00 12.01 C ATOM 706 O THR A 42 18.405 5.979 2.289 1.00 15.35 O ATOM 707 CB THR A 42 18.993 8.783 2.807 1.00 74.42 C ATOM 708 OG1 THR A 42 18.052 8.774 3.886 1.00 21.35 O ATOM 709 CG2 THR A 42 19.520 10.194 2.599 1.00 50.25 C ATOM 0 H THR A 42 16.568 9.380 1.685 1.00 70.24 H new ATOM 0 HA THR A 42 19.082 8.157 0.743 1.00 33.54 H new ATOM 0 HB THR A 42 19.832 8.131 3.051 1.00 74.42 H new ATOM 0 HG1 THR A 42 17.389 9.483 3.748 1.00 21.35 H new ATOM 0 HG21 THR A 42 19.986 10.548 3.519 1.00 50.25 H new ATOM 0 HG22 THR A 42 20.257 10.192 1.796 1.00 50.25 H new ATOM 0 HG23 THR A 42 18.695 10.855 2.333 1.00 50.25 H new ATOM 717 N GLU A 43 16.434 6.735 1.507 1.00 64.21 N ATOM 718 CA GLU A 43 15.737 5.474 1.731 1.00 24.24 C ATOM 719 C GLU A 43 15.130 4.949 0.433 1.00 10.45 C ATOM 720 O GLU A 43 15.632 3.993 -0.157 1.00 33.41 O ATOM 721 CB GLU A 43 14.642 5.652 2.785 1.00 71.52 C ATOM 722 CG GLU A 43 15.173 5.744 4.205 1.00 32.14 C ATOM 723 CD GLU A 43 15.416 4.382 4.827 1.00 10.30 C ATOM 724 OE1 GLU A 43 16.149 3.574 4.220 1.00 41.54 O ATOM 725 OE2 GLU A 43 14.873 4.125 5.922 1.00 53.22 O ATOM 0 H GLU A 43 15.854 7.473 1.108 1.00 64.21 H new ATOM 0 HA GLU A 43 16.463 4.746 2.092 1.00 24.24 H new ATOM 0 HB2 GLU A 43 14.075 6.555 2.559 1.00 71.52 H new ATOM 0 HB3 GLU A 43 13.947 4.815 2.720 1.00 71.52 H new ATOM 0 HG2 GLU A 43 16.104 6.310 4.205 1.00 32.14 H new ATOM 0 HG3 GLU A 43 14.463 6.298 4.819 1.00 32.14 H new ATOM 732 N ARG A 44 14.047 5.583 -0.004 1.00 75.41 N ATOM 733 CA ARG A 44 13.369 5.179 -1.230 1.00 40.55 C ATOM 734 C ARG A 44 14.219 5.508 -2.454 1.00 52.54 C ATOM 735 O ARG A 44 14.415 4.666 -3.332 1.00 4.43 O ATOM 736 CB ARG A 44 12.010 5.873 -1.339 1.00 34.32 C ATOM 737 CG ARG A 44 10.957 5.299 -0.404 1.00 4.43 C ATOM 738 CD ARG A 44 10.295 4.067 -0.999 1.00 63.30 C ATOM 739 NE ARG A 44 11.055 2.850 -0.723 1.00 40.33 N ATOM 740 CZ ARG A 44 10.752 1.663 -1.235 1.00 70.42 C ATOM 741 NH1 ARG A 44 9.711 1.532 -2.046 1.00 13.54 N ATOM 742 NH2 ARG A 44 11.492 0.602 -0.937 1.00 54.02 N ATOM 0 H ARG A 44 13.620 6.378 0.472 1.00 75.41 H new ATOM 0 HA ARG A 44 13.217 4.100 -1.193 1.00 40.55 H new ATOM 0 HB2 ARG A 44 12.135 6.934 -1.124 1.00 34.32 H new ATOM 0 HB3 ARG A 44 11.653 5.796 -2.366 1.00 34.32 H new ATOM 0 HG2 ARG A 44 11.418 5.041 0.550 1.00 4.43 H new ATOM 0 HG3 ARG A 44 10.200 6.056 -0.198 1.00 4.43 H new ATOM 0 HD2 ARG A 44 9.288 3.965 -0.594 1.00 63.30 H new ATOM 0 HD3 ARG A 44 10.194 4.195 -2.077 1.00 63.30 H new ATOM 0 HE ARG A 44 11.862 2.916 -0.103 1.00 40.33 H new ATOM 0 HH11 ARG A 44 9.140 2.345 -2.278 1.00 13.54 H new ATOM 0 HH12 ARG A 44 9.481 0.619 -2.437 1.00 13.54 H new ATOM 0 HH21 ARG A 44 12.294 0.698 -0.314 1.00 54.02 H new ATOM 0 HH22 ARG A 44 11.259 -0.310 -1.331 1.00 54.02 H new ATOM 756 N LEU A 45 14.720 6.738 -2.507 1.00 73.32 N ATOM 757 CA LEU A 45 15.548 7.179 -3.624 1.00 23.12 C ATOM 758 C LEU A 45 16.584 6.119 -3.986 1.00 35.11 C ATOM 759 O LEU A 45 16.636 5.627 -5.113 1.00 61.22 O ATOM 760 CB LEU A 45 16.248 8.494 -3.277 1.00 2.13 C ATOM 761 CG LEU A 45 17.591 8.742 -3.965 1.00 71.10 C ATOM 762 CD1 LEU A 45 17.471 8.518 -5.465 1.00 3.54 C ATOM 763 CD2 LEU A 45 18.089 10.150 -3.672 1.00 32.43 C ATOM 0 H LEU A 45 14.567 7.447 -1.790 1.00 73.32 H new ATOM 0 HA LEU A 45 14.899 7.336 -4.486 1.00 23.12 H new ATOM 0 HB2 LEU A 45 15.577 9.316 -3.527 1.00 2.13 H new ATOM 0 HB3 LEU A 45 16.404 8.526 -2.199 1.00 2.13 H new ATOM 0 HG LEU A 45 18.317 8.032 -3.569 1.00 71.10 H new ATOM 0 HD11 LEU A 45 18.436 8.699 -5.938 1.00 3.54 H new ATOM 0 HD12 LEU A 45 17.160 7.491 -5.656 1.00 3.54 H new ATOM 0 HD13 LEU A 45 16.731 9.204 -5.877 1.00 3.54 H new ATOM 0 HD21 LEU A 45 19.046 10.308 -4.170 1.00 32.43 H new ATOM 0 HD22 LEU A 45 17.364 10.876 -4.040 1.00 32.43 H new ATOM 0 HD23 LEU A 45 18.214 10.275 -2.596 1.00 32.43 H new ATOM 775 N PRO A 46 17.426 5.756 -3.008 1.00 23.04 N ATOM 776 CA PRO A 46 18.474 4.748 -3.198 1.00 52.44 C ATOM 777 C PRO A 46 17.904 3.344 -3.362 1.00 71.43 C ATOM 778 O PRO A 46 18.478 2.509 -4.061 1.00 51.44 O ATOM 779 CB PRO A 46 19.297 4.845 -1.912 1.00 22.44 C ATOM 780 CG PRO A 46 18.350 5.382 -0.895 1.00 50.11 C ATOM 781 CD PRO A 46 17.421 6.301 -1.640 1.00 22.14 C ATOM 0 HA PRO A 46 19.053 4.927 -4.104 1.00 52.44 H new ATOM 0 HB2 PRO A 46 19.685 3.870 -1.616 1.00 22.44 H new ATOM 0 HB3 PRO A 46 20.156 5.504 -2.040 1.00 22.44 H new ATOM 0 HG2 PRO A 46 17.798 4.576 -0.412 1.00 50.11 H new ATOM 0 HG3 PRO A 46 18.883 5.918 -0.110 1.00 50.11 H new ATOM 0 HD2 PRO A 46 16.420 6.296 -1.209 1.00 22.14 H new ATOM 0 HD3 PRO A 46 17.773 7.333 -1.617 1.00 22.14 H new ATOM 789 N GLU A 47 16.772 3.090 -2.714 1.00 34.33 N ATOM 790 CA GLU A 47 16.125 1.785 -2.789 1.00 22.24 C ATOM 791 C GLU A 47 15.657 1.490 -4.211 1.00 1.22 C ATOM 792 O GLU A 47 15.822 0.377 -4.712 1.00 14.35 O ATOM 793 CB GLU A 47 14.937 1.723 -1.826 1.00 43.30 C ATOM 794 CG GLU A 47 15.288 1.153 -0.462 1.00 2.31 C ATOM 795 CD GLU A 47 15.459 -0.353 -0.485 1.00 74.35 C ATOM 796 OE1 GLU A 47 15.272 -0.955 -1.563 1.00 64.25 O ATOM 797 OE2 GLU A 47 15.779 -0.930 0.575 1.00 33.11 O ATOM 0 H GLU A 47 16.284 3.770 -2.131 1.00 34.33 H new ATOM 0 HA GLU A 47 16.856 1.029 -2.502 1.00 22.24 H new ATOM 0 HB2 GLU A 47 14.532 2.727 -1.698 1.00 43.30 H new ATOM 0 HB3 GLU A 47 14.150 1.116 -2.272 1.00 43.30 H new ATOM 0 HG2 GLU A 47 16.209 1.614 -0.106 1.00 2.31 H new ATOM 0 HG3 GLU A 47 14.505 1.415 0.249 1.00 2.31 H new ATOM 804 N ILE A 48 15.073 2.495 -4.855 1.00 61.11 N ATOM 805 CA ILE A 48 14.582 2.344 -6.219 1.00 53.20 C ATOM 806 C ILE A 48 15.657 2.716 -7.235 1.00 34.12 C ATOM 807 O ILE A 48 15.646 2.237 -8.368 1.00 22.12 O ATOM 808 CB ILE A 48 13.334 3.213 -6.467 1.00 63.23 C ATOM 809 CG1 ILE A 48 13.614 4.667 -6.084 1.00 3.35 C ATOM 810 CG2 ILE A 48 12.148 2.672 -5.684 1.00 33.40 C ATOM 811 CD1 ILE A 48 13.234 5.660 -7.160 1.00 12.04 C ATOM 0 H ILE A 48 14.928 3.422 -4.454 1.00 61.11 H new ATOM 0 HA ILE A 48 14.315 1.295 -6.344 1.00 53.20 H new ATOM 0 HB ILE A 48 13.090 3.178 -7.529 1.00 63.23 H new ATOM 0 HG12 ILE A 48 13.067 4.905 -5.172 1.00 3.35 H new ATOM 0 HG13 ILE A 48 14.675 4.777 -5.858 1.00 3.35 H new ATOM 0 HG21 ILE A 48 11.274 3.297 -5.870 1.00 33.40 H new ATOM 0 HG22 ILE A 48 11.938 1.651 -6.001 1.00 33.40 H new ATOM 0 HG23 ILE A 48 12.381 2.681 -4.619 1.00 33.40 H new ATOM 0 HD11 ILE A 48 13.460 6.670 -6.819 1.00 12.04 H new ATOM 0 HD12 ILE A 48 13.800 5.448 -8.067 1.00 12.04 H new ATOM 0 HD13 ILE A 48 12.168 5.578 -7.370 1.00 12.04 H new ATOM 823 N ASN A 49 16.585 3.572 -6.820 1.00 14.14 N ATOM 824 CA ASN A 49 17.668 4.008 -7.693 1.00 63.51 C ATOM 825 C ASN A 49 18.927 4.314 -6.887 1.00 53.40 C ATOM 826 O ASN A 49 19.070 5.386 -6.297 1.00 63.42 O ATOM 827 CB ASN A 49 17.244 5.244 -8.489 1.00 25.14 C ATOM 828 CG ASN A 49 16.460 4.887 -9.737 1.00 3.53 C ATOM 829 OD1 ASN A 49 15.308 4.460 -9.659 1.00 3.34 O ATOM 830 ND2 ASN A 49 17.083 5.062 -10.897 1.00 21.35 N ATOM 0 H ASN A 49 16.608 3.977 -5.884 1.00 14.14 H new ATOM 0 HA ASN A 49 17.891 3.197 -8.387 1.00 63.51 H new ATOM 0 HB2 ASN A 49 16.638 5.891 -7.855 1.00 25.14 H new ATOM 0 HB3 ASN A 49 18.130 5.813 -8.770 1.00 25.14 H new ATOM 0 HD21 ASN A 49 16.606 4.840 -11.771 1.00 21.35 H new ATOM 0 HD22 ASN A 49 18.038 5.419 -10.914 1.00 21.35 H new ATOM 837 N PRO A 50 19.862 3.353 -6.860 1.00 75.15 N ATOM 838 CA PRO A 50 21.125 3.497 -6.132 1.00 1.24 C ATOM 839 C PRO A 50 22.054 4.519 -6.779 1.00 22.34 C ATOM 840 O PRO A 50 22.729 5.283 -6.088 1.00 71.04 O ATOM 841 CB PRO A 50 21.738 2.096 -6.203 1.00 51.41 C ATOM 842 CG PRO A 50 21.146 1.486 -7.426 1.00 70.04 C ATOM 843 CD PRO A 50 19.757 2.051 -7.540 1.00 61.15 C ATOM 0 HA PRO A 50 20.970 3.858 -5.115 1.00 1.24 H new ATOM 0 HB2 PRO A 50 22.825 2.142 -6.270 1.00 51.41 H new ATOM 0 HB3 PRO A 50 21.498 1.513 -5.314 1.00 51.41 H new ATOM 0 HG2 PRO A 50 21.739 1.727 -8.308 1.00 70.04 H new ATOM 0 HG3 PRO A 50 21.120 0.399 -7.347 1.00 70.04 H new ATOM 0 HD2 PRO A 50 19.453 2.164 -8.581 1.00 61.15 H new ATOM 0 HD3 PRO A 50 19.020 1.406 -7.061 1.00 61.15 H new ATOM 851 N ASP A 51 22.084 4.527 -8.107 1.00 33.34 N ATOM 852 CA ASP A 51 22.929 5.456 -8.847 1.00 63.00 C ATOM 853 C ASP A 51 22.482 6.897 -8.620 1.00 21.31 C ATOM 854 O ASP A 51 23.294 7.767 -8.303 1.00 52.43 O ATOM 855 CB ASP A 51 22.898 5.129 -10.341 1.00 35.53 C ATOM 856 CG ASP A 51 23.916 5.927 -11.130 1.00 52.33 C ATOM 857 OD1 ASP A 51 23.630 7.099 -11.452 1.00 55.22 O ATOM 858 OD2 ASP A 51 24.999 5.380 -11.427 1.00 53.12 O ATOM 0 H ASP A 51 21.533 3.900 -8.693 1.00 33.34 H new ATOM 0 HA ASP A 51 23.950 5.349 -8.481 1.00 63.00 H new ATOM 0 HB2 ASP A 51 23.088 4.065 -10.481 1.00 35.53 H new ATOM 0 HB3 ASP A 51 21.901 5.329 -10.733 1.00 35.53 H new ATOM 863 N LEU A 52 21.187 7.141 -8.784 1.00 52.54 N ATOM 864 CA LEU A 52 20.631 8.477 -8.598 1.00 50.32 C ATOM 865 C LEU A 52 20.799 8.941 -7.155 1.00 21.23 C ATOM 866 O LEU A 52 20.862 10.139 -6.880 1.00 64.34 O ATOM 867 CB LEU A 52 19.150 8.493 -8.982 1.00 22.04 C ATOM 868 CG LEU A 52 18.735 9.541 -10.015 1.00 5.33 C ATOM 869 CD1 LEU A 52 17.284 9.342 -10.424 1.00 45.13 C ATOM 870 CD2 LEU A 52 18.949 10.944 -9.466 1.00 11.51 C ATOM 0 H LEU A 52 20.502 6.432 -9.045 1.00 52.54 H new ATOM 0 HA LEU A 52 21.175 9.163 -9.246 1.00 50.32 H new ATOM 0 HB2 LEU A 52 18.884 7.508 -9.366 1.00 22.04 H new ATOM 0 HB3 LEU A 52 18.563 8.651 -8.078 1.00 22.04 H new ATOM 0 HG LEU A 52 19.360 9.419 -10.900 1.00 5.33 H new ATOM 0 HD11 LEU A 52 17.007 10.097 -11.160 1.00 45.13 H new ATOM 0 HD12 LEU A 52 17.161 8.350 -10.858 1.00 45.13 H new ATOM 0 HD13 LEU A 52 16.643 9.436 -9.548 1.00 45.13 H new ATOM 0 HD21 LEU A 52 18.648 11.677 -10.214 1.00 11.51 H new ATOM 0 HD22 LEU A 52 18.349 11.078 -8.566 1.00 11.51 H new ATOM 0 HD23 LEU A 52 20.003 11.083 -9.224 1.00 11.51 H new ATOM 882 N ALA A 53 20.873 7.983 -6.236 1.00 51.20 N ATOM 883 CA ALA A 53 21.038 8.293 -4.821 1.00 42.04 C ATOM 884 C ALA A 53 22.403 8.918 -4.552 1.00 52.11 C ATOM 885 O ALA A 53 22.579 9.650 -3.579 1.00 43.34 O ATOM 886 CB ALA A 53 20.856 7.038 -3.981 1.00 74.44 C ATOM 0 H ALA A 53 20.821 6.986 -6.446 1.00 51.20 H new ATOM 0 HA ALA A 53 20.273 9.018 -4.542 1.00 42.04 H new ATOM 0 HB1 ALA A 53 20.982 7.284 -2.927 1.00 74.44 H new ATOM 0 HB2 ALA A 53 19.857 6.634 -4.142 1.00 74.44 H new ATOM 0 HB3 ALA A 53 21.599 6.295 -4.271 1.00 74.44 H new ATOM 892 N ASN A 54 23.365 8.623 -5.420 1.00 42.51 N ATOM 893 CA ASN A 54 24.715 9.156 -5.274 1.00 41.04 C ATOM 894 C ASN A 54 24.744 10.653 -5.568 1.00 71.13 C ATOM 895 O ASN A 54 25.498 11.402 -4.949 1.00 1.13 O ATOM 896 CB ASN A 54 25.679 8.423 -6.210 1.00 33.44 C ATOM 897 CG ASN A 54 26.616 7.495 -5.462 1.00 23.45 C ATOM 898 OD1 ASN A 54 27.659 7.918 -4.962 1.00 15.14 O ATOM 899 ND2 ASN A 54 26.249 6.221 -5.382 1.00 12.01 N ATOM 0 H ASN A 54 23.235 8.018 -6.231 1.00 42.51 H new ATOM 0 HA ASN A 54 25.031 9.000 -4.242 1.00 41.04 H new ATOM 0 HB2 ASN A 54 25.107 7.848 -6.938 1.00 33.44 H new ATOM 0 HB3 ASN A 54 26.264 9.153 -6.769 1.00 33.44 H new ATOM 0 HD21 ASN A 54 26.840 5.550 -4.891 1.00 12.01 H new ATOM 0 HD22 ASN A 54 25.376 5.914 -5.811 1.00 12.01 H new ATOM 906 N GLU A 55 23.917 11.080 -6.517 1.00 51.24 N ATOM 907 CA GLU A 55 23.848 12.488 -6.893 1.00 23.50 C ATOM 908 C GLU A 55 23.590 13.365 -5.671 1.00 63.33 C ATOM 909 O GLU A 55 24.368 14.269 -5.367 1.00 1.11 O ATOM 910 CB GLU A 55 22.749 12.707 -7.934 1.00 15.52 C ATOM 911 CG GLU A 55 22.814 11.738 -9.102 1.00 52.44 C ATOM 912 CD GLU A 55 21.875 12.121 -10.230 1.00 64.34 C ATOM 913 OE1 GLU A 55 21.037 13.023 -10.026 1.00 4.53 O ATOM 914 OE2 GLU A 55 21.980 11.517 -11.319 1.00 32.44 O ATOM 0 H GLU A 55 23.286 10.472 -7.039 1.00 51.24 H new ATOM 0 HA GLU A 55 24.808 12.770 -7.325 1.00 23.50 H new ATOM 0 HB2 GLU A 55 21.777 12.613 -7.449 1.00 15.52 H new ATOM 0 HB3 GLU A 55 22.819 13.726 -8.314 1.00 15.52 H new ATOM 0 HG2 GLU A 55 23.835 11.700 -9.481 1.00 52.44 H new ATOM 0 HG3 GLU A 55 22.566 10.736 -8.752 1.00 52.44 H new ATOM 921 N VAL A 56 22.492 13.091 -4.975 1.00 33.12 N ATOM 922 CA VAL A 56 22.130 13.854 -3.786 1.00 22.30 C ATOM 923 C VAL A 56 23.187 13.707 -2.697 1.00 12.52 C ATOM 924 O VAL A 56 23.345 14.585 -1.848 1.00 30.35 O ATOM 925 CB VAL A 56 20.766 13.408 -3.226 1.00 64.41 C ATOM 926 CG1 VAL A 56 20.831 11.965 -2.748 1.00 3.11 C ATOM 927 CG2 VAL A 56 20.325 14.332 -2.101 1.00 72.42 C ATOM 0 H VAL A 56 21.837 12.346 -5.214 1.00 33.12 H new ATOM 0 HA VAL A 56 22.066 14.899 -4.088 1.00 22.30 H new ATOM 0 HB VAL A 56 20.027 13.468 -4.025 1.00 64.41 H new ATOM 0 HG11 VAL A 56 19.859 11.667 -2.356 1.00 3.11 H new ATOM 0 HG12 VAL A 56 21.099 11.317 -3.582 1.00 3.11 H new ATOM 0 HG13 VAL A 56 21.582 11.875 -1.963 1.00 3.11 H new ATOM 0 HG21 VAL A 56 19.360 14.003 -1.717 1.00 72.42 H new ATOM 0 HG22 VAL A 56 21.063 14.306 -1.299 1.00 72.42 H new ATOM 0 HG23 VAL A 56 20.236 15.350 -2.480 1.00 72.42 H new ATOM 937 N LYS A 57 23.909 12.593 -2.727 1.00 64.21 N ATOM 938 CA LYS A 57 24.954 12.330 -1.744 1.00 13.50 C ATOM 939 C LYS A 57 26.218 13.120 -2.069 1.00 14.22 C ATOM 940 O LYS A 57 26.988 13.470 -1.175 1.00 70.23 O ATOM 941 CB LYS A 57 25.273 10.834 -1.695 1.00 53.53 C ATOM 942 CG LYS A 57 26.568 10.512 -0.971 1.00 10.15 C ATOM 943 CD LYS A 57 26.539 11.002 0.468 1.00 42.05 C ATOM 944 CE LYS A 57 25.529 10.228 1.300 1.00 54.01 C ATOM 945 NZ LYS A 57 26.193 9.311 2.268 1.00 52.54 N ATOM 0 H LYS A 57 23.790 11.856 -3.422 1.00 64.21 H new ATOM 0 HA LYS A 57 24.588 12.649 -0.768 1.00 13.50 H new ATOM 0 HB2 LYS A 57 24.452 10.312 -1.203 1.00 53.53 H new ATOM 0 HB3 LYS A 57 25.331 10.450 -2.713 1.00 53.53 H new ATOM 0 HG2 LYS A 57 26.737 9.435 -0.986 1.00 10.15 H new ATOM 0 HG3 LYS A 57 27.404 10.973 -1.497 1.00 10.15 H new ATOM 0 HD2 LYS A 57 27.531 10.899 0.909 1.00 42.05 H new ATOM 0 HD3 LYS A 57 26.291 12.063 0.487 1.00 42.05 H new ATOM 0 HE2 LYS A 57 24.892 10.928 1.841 1.00 54.01 H new ATOM 0 HE3 LYS A 57 24.881 9.652 0.640 1.00 54.01 H new ATOM 0 HZ1 LYS A 57 25.470 8.802 2.816 1.00 52.54 H new ATOM 0 HZ2 LYS A 57 26.781 8.627 1.751 1.00 52.54 H new ATOM 0 HZ3 LYS A 57 26.792 9.863 2.914 1.00 52.54 H new ATOM 959 N GLU A 58 26.423 13.399 -3.352 1.00 73.54 N ATOM 960 CA GLU A 58 27.593 14.148 -3.793 1.00 64.13 C ATOM 961 C GLU A 58 27.547 15.583 -3.277 1.00 53.22 C ATOM 962 O GLU A 58 28.488 16.055 -2.639 1.00 42.21 O ATOM 963 CB GLU A 58 27.682 14.146 -5.321 1.00 11.21 C ATOM 964 CG GLU A 58 28.207 12.843 -5.899 1.00 31.33 C ATOM 965 CD GLU A 58 28.878 13.030 -7.245 1.00 43.04 C ATOM 966 OE1 GLU A 58 30.103 13.276 -7.268 1.00 74.10 O ATOM 967 OE2 GLU A 58 28.180 12.931 -8.276 1.00 3.21 O ATOM 0 H GLU A 58 25.794 13.118 -4.104 1.00 73.54 H new ATOM 0 HA GLU A 58 28.479 13.662 -3.384 1.00 64.13 H new ATOM 0 HB2 GLU A 58 26.693 14.344 -5.734 1.00 11.21 H new ATOM 0 HB3 GLU A 58 28.330 14.962 -5.640 1.00 11.21 H new ATOM 0 HG2 GLU A 58 28.918 12.401 -5.201 1.00 31.33 H new ATOM 0 HG3 GLU A 58 27.382 12.138 -6.003 1.00 31.33 H new ATOM 974 N ILE A 59 26.445 16.271 -3.559 1.00 4.25 N ATOM 975 CA ILE A 59 26.276 17.652 -3.123 1.00 35.33 C ATOM 976 C ILE A 59 26.408 17.770 -1.608 1.00 53.32 C ATOM 977 O ILE A 59 26.836 18.802 -1.090 1.00 44.42 O ATOM 978 CB ILE A 59 24.908 18.214 -3.553 1.00 33.41 C ATOM 979 CG1 ILE A 59 23.778 17.469 -2.838 1.00 62.45 C ATOM 980 CG2 ILE A 59 24.745 18.113 -5.062 1.00 75.42 C ATOM 981 CD1 ILE A 59 22.402 18.007 -3.159 1.00 55.03 C ATOM 0 H ILE A 59 25.657 15.895 -4.087 1.00 4.25 H new ATOM 0 HA ILE A 59 27.065 18.233 -3.601 1.00 35.33 H new ATOM 0 HB ILE A 59 24.859 19.266 -3.271 1.00 33.41 H new ATOM 0 HG12 ILE A 59 23.820 16.414 -3.111 1.00 62.45 H new ATOM 0 HG13 ILE A 59 23.940 17.527 -1.762 1.00 62.45 H new ATOM 0 HG21 ILE A 59 23.773 18.514 -5.351 1.00 75.42 H new ATOM 0 HG22 ILE A 59 25.533 18.684 -5.552 1.00 75.42 H new ATOM 0 HG23 ILE A 59 24.811 17.068 -5.366 1.00 75.42 H new ATOM 0 HD11 ILE A 59 21.651 17.432 -2.618 1.00 55.03 H new ATOM 0 HD12 ILE A 59 22.342 19.054 -2.861 1.00 55.03 H new ATOM 0 HD13 ILE A 59 22.220 17.924 -4.230 1.00 55.03 H new ATOM 993 N LEU A 60 26.039 16.707 -0.903 1.00 34.13 N ATOM 994 CA LEU A 60 26.118 16.690 0.554 1.00 55.01 C ATOM 995 C LEU A 60 27.561 16.843 1.023 1.00 71.23 C ATOM 996 O LEU A 60 27.862 17.676 1.878 1.00 55.24 O ATOM 997 CB LEU A 60 25.526 15.390 1.101 1.00 24.32 C ATOM 998 CG LEU A 60 24.003 15.343 1.220 1.00 34.02 C ATOM 999 CD1 LEU A 60 23.551 13.996 1.764 1.00 52.51 C ATOM 1000 CD2 LEU A 60 23.502 16.474 2.107 1.00 30.42 C ATOM 0 H LEU A 60 25.682 15.845 -1.316 1.00 34.13 H new ATOM 0 HA LEU A 60 25.541 17.533 0.935 1.00 55.01 H new ATOM 0 HB2 LEU A 60 25.845 14.570 0.458 1.00 24.32 H new ATOM 0 HB3 LEU A 60 25.953 15.207 2.087 1.00 24.32 H new ATOM 0 HG LEU A 60 23.576 15.472 0.225 1.00 34.02 H new ATOM 0 HD11 LEU A 60 22.464 13.981 1.842 1.00 52.51 H new ATOM 0 HD12 LEU A 60 23.877 13.204 1.091 1.00 52.51 H new ATOM 0 HD13 LEU A 60 23.987 13.837 2.750 1.00 52.51 H new ATOM 0 HD21 LEU A 60 22.416 16.425 2.180 1.00 30.42 H new ATOM 0 HD22 LEU A 60 23.938 16.377 3.101 1.00 30.42 H new ATOM 0 HD23 LEU A 60 23.794 17.431 1.675 1.00 30.42 H new ATOM 1012 N ASP A 61 28.450 16.035 0.456 1.00 21.43 N ATOM 1013 CA ASP A 61 29.863 16.082 0.814 1.00 61.14 C ATOM 1014 C ASP A 61 30.422 17.490 0.636 1.00 52.35 C ATOM 1015 O ASP A 61 31.386 17.875 1.298 1.00 71.13 O ATOM 1016 CB ASP A 61 30.660 15.092 -0.038 1.00 11.40 C ATOM 1017 CG ASP A 61 32.093 14.946 0.433 1.00 4.05 C ATOM 1018 OD1 ASP A 61 32.347 15.159 1.638 1.00 71.31 O ATOM 1019 OD2 ASP A 61 32.962 14.618 -0.402 1.00 34.13 O ATOM 0 H ASP A 61 28.217 15.340 -0.253 1.00 21.43 H new ATOM 0 HA ASP A 61 29.956 15.803 1.864 1.00 61.14 H new ATOM 0 HB2 ASP A 61 30.171 14.118 -0.011 1.00 11.40 H new ATOM 0 HB3 ASP A 61 30.654 15.424 -1.076 1.00 11.40 H new ATOM 1024 N TYR A 62 29.811 18.254 -0.263 1.00 52.11 N ATOM 1025 CA TYR A 62 30.249 19.619 -0.531 1.00 62.31 C ATOM 1026 C TYR A 62 29.602 20.600 0.442 1.00 63.31 C ATOM 1027 O TYR A 62 30.130 21.684 0.691 1.00 54.42 O ATOM 1028 CB TYR A 62 29.911 20.012 -1.970 1.00 12.21 C ATOM 1029 CG TYR A 62 29.910 21.506 -2.205 1.00 33.21 C ATOM 1030 CD1 TYR A 62 31.091 22.236 -2.169 1.00 23.42 C ATOM 1031 CD2 TYR A 62 28.727 22.187 -2.464 1.00 53.01 C ATOM 1032 CE1 TYR A 62 31.095 23.600 -2.382 1.00 53.42 C ATOM 1033 CE2 TYR A 62 28.721 23.552 -2.680 1.00 73.51 C ATOM 1034 CZ TYR A 62 29.907 24.254 -2.638 1.00 21.24 C ATOM 1035 OH TYR A 62 29.906 25.613 -2.852 1.00 45.01 O ATOM 0 H TYR A 62 29.011 17.951 -0.818 1.00 52.11 H new ATOM 0 HA TYR A 62 31.330 19.660 -0.395 1.00 62.31 H new ATOM 0 HB2 TYR A 62 30.631 19.547 -2.643 1.00 12.21 H new ATOM 0 HB3 TYR A 62 28.930 19.612 -2.226 1.00 12.21 H new ATOM 0 HD1 TYR A 62 32.023 21.727 -1.971 1.00 23.42 H new ATOM 0 HD2 TYR A 62 27.796 21.640 -2.497 1.00 53.01 H new ATOM 0 HE1 TYR A 62 32.023 24.152 -2.348 1.00 53.42 H new ATOM 0 HE2 TYR A 62 27.793 24.066 -2.881 1.00 73.51 H new ATOM 0 HH TYR A 62 28.990 25.917 -3.019 1.00 45.01 H new ATOM 1045 N HIS A 63 28.456 20.210 0.990 1.00 12.02 N ATOM 1046 CA HIS A 63 27.736 21.054 1.938 1.00 72.44 C ATOM 1047 C HIS A 63 28.394 21.010 3.313 1.00 4.32 C ATOM 1048 O HIS A 63 28.239 21.930 4.117 1.00 34.42 O ATOM 1049 CB HIS A 63 26.277 20.608 2.043 1.00 21.25 C ATOM 1050 CG HIS A 63 25.545 20.639 0.737 1.00 21.42 C ATOM 1051 ND1 HIS A 63 24.464 19.829 0.461 1.00 31.41 N ATOM 1052 CD2 HIS A 63 25.743 21.390 -0.371 1.00 64.33 C ATOM 1053 CE1 HIS A 63 24.030 20.079 -0.761 1.00 70.34 C ATOM 1054 NE2 HIS A 63 24.789 21.023 -1.288 1.00 21.40 N ATOM 0 H HIS A 63 28.006 19.316 0.795 1.00 12.02 H new ATOM 0 HA HIS A 63 27.769 22.080 1.572 1.00 72.44 H new ATOM 0 HB2 HIS A 63 26.243 19.595 2.445 1.00 21.25 H new ATOM 0 HB3 HIS A 63 25.760 21.251 2.755 1.00 21.25 H new ATOM 0 HD2 HIS A 63 26.509 22.139 -0.509 1.00 64.33 H new ATOM 0 HE1 HIS A 63 23.196 19.594 -1.247 1.00 70.34 H new ATOM 0 HE2 HIS A 63 24.684 21.415 -2.224 1.00 21.40 H new ATOM 1062 N LYS A 64 29.130 19.936 3.578 1.00 43.11 N ATOM 1063 CA LYS A 64 29.813 19.772 4.855 1.00 25.05 C ATOM 1064 C LYS A 64 31.151 20.506 4.856 1.00 74.13 C ATOM 1065 O LYS A 64 31.648 20.908 5.907 1.00 5.12 O ATOM 1066 CB LYS A 64 30.035 18.287 5.152 1.00 74.12 C ATOM 1067 CG LYS A 64 28.966 17.679 6.044 1.00 3.11 C ATOM 1068 CD LYS A 64 29.363 16.293 6.523 1.00 33.35 C ATOM 1069 CE LYS A 64 28.773 15.207 5.637 1.00 64.44 C ATOM 1070 NZ LYS A 64 28.246 14.065 6.434 1.00 72.00 N ATOM 0 H LYS A 64 29.269 19.165 2.924 1.00 43.11 H new ATOM 0 HA LYS A 64 29.182 20.202 5.633 1.00 25.05 H new ATOM 0 HB2 LYS A 64 30.067 17.738 4.211 1.00 74.12 H new ATOM 0 HB3 LYS A 64 31.008 18.162 5.628 1.00 74.12 H new ATOM 0 HG2 LYS A 64 28.796 18.327 6.904 1.00 3.11 H new ATOM 0 HG3 LYS A 64 28.025 17.621 5.498 1.00 3.11 H new ATOM 0 HD2 LYS A 64 30.450 16.207 6.531 1.00 33.35 H new ATOM 0 HD3 LYS A 64 29.024 16.151 7.549 1.00 33.35 H new ATOM 0 HE2 LYS A 64 27.970 15.628 5.032 1.00 64.44 H new ATOM 0 HE3 LYS A 64 29.536 14.847 4.947 1.00 64.44 H new ATOM 0 HZ1 LYS A 64 27.853 13.347 5.793 1.00 72.00 H new ATOM 0 HZ2 LYS A 64 29.017 13.646 6.992 1.00 72.00 H new ATOM 0 HZ3 LYS A 64 27.500 14.404 7.074 1.00 72.00 H new ATOM 1084 N SER A 65 31.726 20.678 3.670 1.00 23.01 N ATOM 1085 CA SER A 65 33.007 21.362 3.534 1.00 22.43 C ATOM 1086 C SER A 65 32.895 22.818 3.976 1.00 63.31 C ATOM 1087 O SER A 65 33.659 23.281 4.823 1.00 22.14 O ATOM 1088 CB SER A 65 33.495 21.292 2.086 1.00 43.30 C ATOM 1089 OG SER A 65 32.641 22.025 1.224 1.00 25.14 O ATOM 0 H SER A 65 31.325 20.353 2.790 1.00 23.01 H new ATOM 0 HA SER A 65 33.729 20.860 4.178 1.00 22.43 H new ATOM 0 HB2 SER A 65 34.509 21.687 2.021 1.00 43.30 H new ATOM 0 HB3 SER A 65 33.537 20.252 1.763 1.00 43.30 H new ATOM 0 HG SER A 65 31.764 21.589 1.184 1.00 25.14 H new ATOM 1095 N ILE A 66 31.938 23.534 3.395 1.00 23.53 N ATOM 1096 CA ILE A 66 31.725 24.936 3.729 1.00 2.31 C ATOM 1097 C ILE A 66 30.827 25.080 4.953 1.00 22.22 C ATOM 1098 O ILE A 66 30.580 26.189 5.428 1.00 72.44 O ATOM 1099 CB ILE A 66 31.097 25.706 2.552 1.00 33.23 C ATOM 1100 CG1 ILE A 66 29.575 25.548 2.566 1.00 12.22 C ATOM 1101 CG2 ILE A 66 31.673 25.217 1.232 1.00 42.32 C ATOM 1102 CD1 ILE A 66 29.114 24.114 2.425 1.00 5.22 C ATOM 0 H ILE A 66 31.298 23.166 2.691 1.00 23.53 H new ATOM 0 HA ILE A 66 32.705 25.360 3.949 1.00 2.31 H new ATOM 0 HB ILE A 66 31.335 26.764 2.660 1.00 33.23 H new ATOM 0 HG12 ILE A 66 29.184 25.957 3.498 1.00 12.22 H new ATOM 0 HG13 ILE A 66 29.149 26.139 1.755 1.00 12.22 H new ATOM 0 HG21 ILE A 66 31.219 25.771 0.410 1.00 42.32 H new ATOM 0 HG22 ILE A 66 32.751 25.375 1.225 1.00 42.32 H new ATOM 0 HG23 ILE A 66 31.461 24.154 1.114 1.00 42.32 H new ATOM 0 HD11 ILE A 66 28.025 24.079 2.443 1.00 5.22 H new ATOM 0 HD12 ILE A 66 29.475 23.707 1.480 1.00 5.22 H new ATOM 0 HD13 ILE A 66 29.510 23.522 3.250 1.00 5.22 H new ATOM 1114 N ARG A 67 30.343 23.951 5.461 1.00 25.00 N ATOM 1115 CA ARG A 67 29.473 23.951 6.631 1.00 63.43 C ATOM 1116 C ARG A 67 30.076 24.786 7.757 1.00 73.32 C ATOM 1117 O ARG A 67 29.357 25.454 8.501 1.00 24.33 O ATOM 1118 CB ARG A 67 29.234 22.519 7.115 1.00 44.23 C ATOM 1119 CG ARG A 67 28.452 22.439 8.415 1.00 34.51 C ATOM 1120 CD ARG A 67 27.155 21.664 8.238 1.00 61.12 C ATOM 1121 NE ARG A 67 26.852 20.831 9.399 1.00 51.23 N ATOM 1122 CZ ARG A 67 25.679 20.237 9.591 1.00 45.21 C ATOM 1123 NH1 ARG A 67 24.705 20.383 8.703 1.00 23.13 N ATOM 1124 NH2 ARG A 67 25.480 19.495 10.673 1.00 72.05 N ATOM 0 H ARG A 67 30.539 23.025 5.081 1.00 25.00 H new ATOM 0 HA ARG A 67 28.520 24.394 6.344 1.00 63.43 H new ATOM 0 HB2 ARG A 67 28.697 21.968 6.343 1.00 44.23 H new ATOM 0 HB3 ARG A 67 30.196 22.024 7.248 1.00 44.23 H new ATOM 0 HG2 ARG A 67 29.063 21.959 9.179 1.00 34.51 H new ATOM 0 HG3 ARG A 67 28.230 23.445 8.770 1.00 34.51 H new ATOM 0 HD2 ARG A 67 26.335 22.363 8.069 1.00 61.12 H new ATOM 0 HD3 ARG A 67 27.226 21.036 7.350 1.00 61.12 H new ATOM 0 HE ARG A 67 27.580 20.698 10.100 1.00 51.23 H new ATOM 0 HH11 ARG A 67 24.855 20.952 7.870 1.00 23.13 H new ATOM 0 HH12 ARG A 67 23.806 19.926 8.853 1.00 23.13 H new ATOM 0 HH21 ARG A 67 26.228 19.381 11.357 1.00 72.05 H new ATOM 0 HH22 ARG A 67 24.579 19.039 10.820 1.00 72.05 H new ATOM 1138 N HIS A 68 31.399 24.743 7.876 1.00 70.42 N ATOM 1139 CA HIS A 68 32.098 25.495 8.911 1.00 4.31 C ATOM 1140 C HIS A 68 31.680 26.963 8.892 1.00 23.53 C ATOM 1141 O HIS A 68 31.599 27.609 9.938 1.00 53.15 O ATOM 1142 CB HIS A 68 33.611 25.382 8.720 1.00 21.51 C ATOM 1143 CG HIS A 68 34.324 24.816 9.910 1.00 42.52 C ATOM 1144 ND1 HIS A 68 34.364 25.450 11.134 1.00 65.10 N ATOM 1145 CD2 HIS A 68 35.026 23.669 10.059 1.00 60.34 C ATOM 1146 CE1 HIS A 68 35.062 24.717 11.984 1.00 52.23 C ATOM 1147 NE2 HIS A 68 35.474 23.631 11.356 1.00 21.41 N ATOM 0 H HIS A 68 32.008 24.195 7.268 1.00 70.42 H new ATOM 0 HA HIS A 68 31.829 25.070 9.878 1.00 4.31 H new ATOM 0 HB2 HIS A 68 33.814 24.754 7.853 1.00 21.51 H new ATOM 0 HB3 HIS A 68 34.016 26.370 8.500 1.00 21.51 H new ATOM 0 HD2 HIS A 68 35.201 22.922 9.299 1.00 60.34 H new ATOM 0 HE1 HIS A 68 35.261 24.964 13.016 1.00 52.23 H new ATOM 0 HE2 HIS A 68 36.034 22.885 11.768 1.00 21.41 H new ATOM 1155 N LEU A 69 31.417 27.482 7.698 1.00 3.34 N ATOM 1156 CA LEU A 69 31.008 28.874 7.543 1.00 21.11 C ATOM 1157 C LEU A 69 29.507 29.028 7.763 1.00 34.24 C ATOM 1158 O LEU A 69 29.042 30.063 8.242 1.00 23.31 O ATOM 1159 CB LEU A 69 31.386 29.385 6.152 1.00 60.03 C ATOM 1160 CG LEU A 69 32.871 29.322 5.794 1.00 23.11 C ATOM 1161 CD1 LEU A 69 33.061 29.397 4.287 1.00 2.11 C ATOM 1162 CD2 LEU A 69 33.635 30.442 6.486 1.00 34.22 C ATOM 0 H LEU A 69 31.479 26.961 6.824 1.00 3.34 H new ATOM 0 HA LEU A 69 31.529 29.466 8.295 1.00 21.11 H new ATOM 0 HB2 LEU A 69 30.830 28.810 5.412 1.00 60.03 H new ATOM 0 HB3 LEU A 69 31.056 30.420 6.065 1.00 60.03 H new ATOM 0 HG LEU A 69 33.268 28.369 6.143 1.00 23.11 H new ATOM 0 HD11 LEU A 69 34.124 29.351 4.052 1.00 2.11 H new ATOM 0 HD12 LEU A 69 32.548 28.560 3.813 1.00 2.11 H new ATOM 0 HD13 LEU A 69 32.647 30.334 3.914 1.00 2.11 H new ATOM 0 HD21 LEU A 69 34.690 30.381 6.220 1.00 34.22 H new ATOM 0 HD22 LEU A 69 33.235 31.405 6.169 1.00 34.22 H new ATOM 0 HD23 LEU A 69 33.527 30.343 7.566 1.00 34.22 H new ATOM 1174 N ARG A 70 28.753 27.991 7.413 1.00 70.22 N ATOM 1175 CA ARG A 70 27.304 28.011 7.573 1.00 20.50 C ATOM 1176 C ARG A 70 26.918 27.889 9.044 1.00 1.13 C ATOM 1177 O ARG A 70 25.845 28.329 9.453 1.00 13.54 O ATOM 1178 CB ARG A 70 26.665 26.875 6.772 1.00 65.52 C ATOM 1179 CG ARG A 70 27.231 26.726 5.369 1.00 51.02 C ATOM 1180 CD ARG A 70 26.388 25.782 4.526 1.00 63.14 C ATOM 1181 NE ARG A 70 26.068 24.549 5.240 1.00 73.25 N ATOM 1182 CZ ARG A 70 25.239 23.622 4.771 1.00 41.43 C ATOM 1183 NH1 ARG A 70 24.651 23.789 3.594 1.00 20.51 N ATOM 1184 NH2 ARG A 70 24.998 22.527 5.479 1.00 33.23 N ATOM 0 H ARG A 70 29.122 27.126 7.017 1.00 70.22 H new ATOM 0 HA ARG A 70 26.935 28.965 7.196 1.00 20.50 H new ATOM 0 HB2 ARG A 70 26.804 25.938 7.312 1.00 65.52 H new ATOM 0 HB3 ARG A 70 25.591 27.048 6.705 1.00 65.52 H new ATOM 0 HG2 ARG A 70 27.276 27.703 4.888 1.00 51.02 H new ATOM 0 HG3 ARG A 70 28.253 26.351 5.426 1.00 51.02 H new ATOM 0 HD2 ARG A 70 25.464 26.283 4.235 1.00 63.14 H new ATOM 0 HD3 ARG A 70 26.923 25.541 3.607 1.00 63.14 H new ATOM 0 HE ARG A 70 26.504 24.391 6.148 1.00 73.25 H new ATOM 0 HH11 ARG A 70 24.835 24.630 3.047 1.00 20.51 H new ATOM 0 HH12 ARG A 70 24.015 23.076 3.236 1.00 20.51 H new ATOM 0 HH21 ARG A 70 25.449 22.396 6.384 1.00 33.23 H new ATOM 0 HH22 ARG A 70 24.362 21.816 5.118 1.00 33.23 H new