USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 TYR OH : rot -134:sc= 1.25 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 80:sc= -0.226 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.21! X(o=-1.2!,f=-1.6) USER MOD Single : A 38 GLN : amide:sc= 0.331 K(o=0.33,f=-0.42) USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0119) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00782) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= -0.295 (180deg=-1.34) USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= 1.05 (180deg=0.619) USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00054 USER MOD Single : A 58 THR OG1 : rot -68:sc= 1.11 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0.887 (180deg=0.58) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 5 2.467 9.499 3.513 1.00 2.41 N ATOM 53 CA ASP A 5 2.351 8.236 4.223 1.00 2.79 C ATOM 54 C ASP A 5 1.733 7.168 3.328 1.00 2.44 C ATOM 55 O ASP A 5 0.509 7.034 3.286 1.00 3.65 O ATOM 56 CB ASP A 5 1.516 8.402 5.499 1.00 4.49 C ATOM 57 CG ASP A 5 1.465 7.087 6.253 1.00 5.88 C ATOM 58 OD1 ASP A 5 2.471 6.357 6.167 1.00 5.88 O ATOM 59 OD2 ASP A 5 0.471 6.863 6.981 1.00 7.42 O ATOM 0 HA ASP A 5 3.355 7.917 4.504 1.00 2.79 H new ATOM 0 HB2 ASP A 5 1.950 9.177 6.130 1.00 4.49 H new ATOM 0 HB3 ASP A 5 0.507 8.726 5.245 1.00 4.49 H new ATOM 64 N TYR A 6 2.581 6.480 2.566 1.00 1.37 N ATOM 65 CA TYR A 6 2.224 5.428 1.624 1.00 0.86 C ATOM 66 C TYR A 6 3.284 4.332 1.729 1.00 0.95 C ATOM 67 O TYR A 6 3.018 3.225 2.186 1.00 1.48 O ATOM 68 CB TYR A 6 2.184 6.014 0.202 1.00 1.14 C ATOM 69 CG TYR A 6 0.931 6.792 -0.165 1.00 1.29 C ATOM 70 CD1 TYR A 6 0.617 8.027 0.430 1.00 2.05 C ATOM 71 CD2 TYR A 6 0.048 6.257 -1.113 1.00 2.53 C ATOM 72 CE1 TYR A 6 -0.620 8.648 0.171 1.00 2.41 C ATOM 73 CE2 TYR A 6 -1.252 6.775 -1.222 1.00 3.27 C ATOM 74 CZ TYR A 6 -1.591 7.969 -0.579 1.00 2.78 C ATOM 75 OH TYR A 6 -2.805 8.533 -0.821 1.00 3.64 O ATOM 0 H TYR A 6 3.586 6.652 2.592 1.00 1.37 H new ATOM 0 HA TYR A 6 1.242 5.013 1.849 1.00 0.86 H new ATOM 0 HB2 TYR A 6 3.045 6.671 0.077 1.00 1.14 H new ATOM 0 HB3 TYR A 6 2.301 5.197 -0.509 1.00 1.14 H new ATOM 0 HD1 TYR A 6 1.329 8.502 1.089 1.00 2.05 H new ATOM 0 HD2 TYR A 6 0.366 5.450 -1.756 1.00 2.53 H new ATOM 0 HE1 TYR A 6 -0.820 9.640 0.547 1.00 2.41 H new ATOM 0 HE2 TYR A 6 -1.993 6.249 -1.805 1.00 3.27 H new ATOM 0 HH TYR A 6 -3.511 7.876 -0.648 1.00 3.64 H new ATOM 85 N TYR A 7 4.524 4.638 1.353 1.00 0.72 N ATOM 86 CA TYR A 7 5.621 3.689 1.513 1.00 0.85 C ATOM 87 C TYR A 7 5.809 3.302 2.986 1.00 0.95 C ATOM 88 O TYR A 7 6.288 2.210 3.292 1.00 1.18 O ATOM 89 CB TYR A 7 6.908 4.261 0.912 1.00 0.91 C ATOM 90 CG TYR A 7 7.310 5.625 1.438 1.00 2.32 C ATOM 91 CD1 TYR A 7 8.055 5.732 2.628 1.00 3.94 C ATOM 92 CD2 TYR A 7 7.012 6.781 0.694 1.00 3.04 C ATOM 93 CE1 TYR A 7 8.564 6.978 3.027 1.00 5.45 C ATOM 94 CE2 TYR A 7 7.514 8.028 1.101 1.00 4.56 C ATOM 95 CZ TYR A 7 8.323 8.117 2.244 1.00 5.58 C ATOM 96 OH TYR A 7 9.024 9.266 2.464 1.00 7.08 O ATOM 0 H TYR A 7 4.792 5.530 0.938 1.00 0.72 H new ATOM 0 HA TYR A 7 5.371 2.776 0.972 1.00 0.85 H new ATOM 0 HB2 TYR A 7 7.722 3.561 1.101 1.00 0.91 H new ATOM 0 HB3 TYR A 7 6.788 4.326 -0.169 1.00 0.91 H new ATOM 0 HD1 TYR A 7 8.235 4.856 3.233 1.00 3.94 H new ATOM 0 HD2 TYR A 7 6.397 6.710 -0.191 1.00 3.04 H new ATOM 0 HE1 TYR A 7 9.141 7.060 3.936 1.00 5.45 H new ATOM 0 HE2 TYR A 7 7.278 8.917 0.535 1.00 4.56 H new ATOM 0 HH TYR A 7 8.731 9.954 1.831 1.00 7.08 H new ATOM 106 N GLU A 8 5.436 4.190 3.908 1.00 1.03 N ATOM 107 CA GLU A 8 5.616 3.973 5.323 1.00 1.25 C ATOM 108 C GLU A 8 4.540 2.983 5.777 1.00 1.06 C ATOM 109 O GLU A 8 4.844 1.978 6.415 1.00 0.97 O ATOM 110 CB GLU A 8 5.542 5.331 6.033 1.00 1.60 C ATOM 111 CG GLU A 8 6.805 5.606 6.855 1.00 2.07 C ATOM 112 CD GLU A 8 6.909 4.798 8.128 1.00 2.17 C ATOM 113 OE1 GLU A 8 6.002 3.991 8.425 1.00 2.97 O ATOM 114 OE2 GLU A 8 7.856 5.086 8.885 1.00 2.92 O ATOM 0 H GLU A 8 4.998 5.083 3.681 1.00 1.03 H new ATOM 0 HA GLU A 8 6.587 3.542 5.568 1.00 1.25 H new ATOM 0 HB2 GLU A 8 5.408 6.122 5.295 1.00 1.60 H new ATOM 0 HB3 GLU A 8 4.670 5.354 6.686 1.00 1.60 H new ATOM 0 HG2 GLU A 8 7.679 5.401 6.236 1.00 2.07 H new ATOM 0 HG3 GLU A 8 6.836 6.666 7.108 1.00 2.07 H new ATOM 121 N ILE A 9 3.290 3.220 5.365 1.00 1.04 N ATOM 122 CA ILE A 9 2.207 2.261 5.496 1.00 0.91 C ATOM 123 C ILE A 9 2.697 0.901 5.029 1.00 0.79 C ATOM 124 O ILE A 9 2.611 -0.071 5.781 1.00 0.94 O ATOM 125 CB ILE A 9 0.968 2.730 4.710 1.00 0.98 C ATOM 126 CG1 ILE A 9 0.220 3.762 5.550 1.00 1.59 C ATOM 127 CG2 ILE A 9 0.000 1.605 4.327 1.00 1.11 C ATOM 128 CD1 ILE A 9 -0.793 4.532 4.709 1.00 1.47 C ATOM 0 H ILE A 9 3.007 4.096 4.927 1.00 1.04 H new ATOM 0 HA ILE A 9 1.904 2.181 6.540 1.00 0.91 H new ATOM 0 HB ILE A 9 1.335 3.149 3.773 1.00 0.98 H new ATOM 0 HG12 ILE A 9 -0.292 3.263 6.373 1.00 1.59 H new ATOM 0 HG13 ILE A 9 0.932 4.458 5.993 1.00 1.59 H new ATOM 0 HG21 ILE A 9 -0.843 2.022 3.777 1.00 1.11 H new ATOM 0 HG22 ILE A 9 0.517 0.877 3.701 1.00 1.11 H new ATOM 0 HG23 ILE A 9 -0.363 1.114 5.230 1.00 1.11 H new ATOM 0 HD11 ILE A 9 -1.309 5.259 5.336 1.00 1.47 H new ATOM 0 HD12 ILE A 9 -0.276 5.051 3.902 1.00 1.47 H new ATOM 0 HD13 ILE A 9 -1.519 3.837 4.287 1.00 1.47 H new ATOM 140 N LEU A 10 3.209 0.812 3.799 1.00 0.77 N ATOM 141 CA LEU A 10 3.550 -0.494 3.276 1.00 0.84 C ATOM 142 C LEU A 10 4.769 -1.079 4.001 1.00 0.91 C ATOM 143 O LEU A 10 4.911 -2.295 4.099 1.00 1.18 O ATOM 144 CB LEU A 10 3.699 -0.458 1.752 1.00 1.05 C ATOM 145 CG LEU A 10 2.342 -0.597 1.038 1.00 0.93 C ATOM 146 CD1 LEU A 10 1.727 0.770 0.760 1.00 2.12 C ATOM 147 CD2 LEU A 10 2.506 -1.317 -0.295 1.00 1.81 C ATOM 0 H LEU A 10 3.388 1.599 3.175 1.00 0.77 H new ATOM 0 HA LEU A 10 2.726 -1.178 3.478 1.00 0.84 H new ATOM 0 HB2 LEU A 10 4.171 0.479 1.456 1.00 1.05 H new ATOM 0 HB3 LEU A 10 4.361 -1.263 1.433 1.00 1.05 H new ATOM 0 HG LEU A 10 1.690 -1.169 1.698 1.00 0.93 H new ATOM 0 HD11 LEU A 10 0.769 0.642 0.255 1.00 2.12 H new ATOM 0 HD12 LEU A 10 1.574 1.298 1.701 1.00 2.12 H new ATOM 0 HD13 LEU A 10 2.398 1.348 0.125 1.00 2.12 H new ATOM 0 HD21 LEU A 10 1.535 -1.405 -0.783 1.00 1.81 H new ATOM 0 HD22 LEU A 10 3.183 -0.750 -0.934 1.00 1.81 H new ATOM 0 HD23 LEU A 10 2.917 -2.312 -0.123 1.00 1.81 H new ATOM 159 N GLY A 11 5.642 -0.233 4.537 1.00 0.98 N ATOM 160 CA GLY A 11 6.748 -0.685 5.356 1.00 1.11 C ATOM 161 C GLY A 11 7.816 -1.186 4.410 1.00 1.08 C ATOM 162 O GLY A 11 8.229 -2.347 4.452 1.00 1.20 O ATOM 0 H GLY A 11 5.599 0.779 4.414 1.00 0.98 H new ATOM 0 HA2 GLY A 11 7.129 0.128 5.974 1.00 1.11 H new ATOM 0 HA3 GLY A 11 6.429 -1.477 6.033 1.00 1.11 H new ATOM 166 N VAL A 12 8.200 -0.297 3.505 1.00 1.04 N ATOM 167 CA VAL A 12 8.974 -0.596 2.326 1.00 1.02 C ATOM 168 C VAL A 12 9.825 0.640 2.035 1.00 1.13 C ATOM 169 O VAL A 12 9.735 1.638 2.755 1.00 1.24 O ATOM 170 CB VAL A 12 7.985 -1.052 1.238 1.00 1.00 C ATOM 171 CG1 VAL A 12 6.942 0.000 0.869 1.00 1.18 C ATOM 172 CG2 VAL A 12 8.647 -1.551 -0.035 1.00 1.05 C ATOM 0 H VAL A 12 7.966 0.693 3.583 1.00 1.04 H new ATOM 0 HA VAL A 12 9.685 -1.418 2.417 1.00 1.02 H new ATOM 0 HB VAL A 12 7.480 -1.892 1.715 1.00 1.00 H new ATOM 0 HG11 VAL A 12 6.283 -0.396 0.097 1.00 1.18 H new ATOM 0 HG12 VAL A 12 6.355 0.255 1.751 1.00 1.18 H new ATOM 0 HG13 VAL A 12 7.443 0.893 0.495 1.00 1.18 H new ATOM 0 HG21 VAL A 12 7.881 -1.853 -0.749 1.00 1.05 H new ATOM 0 HG22 VAL A 12 9.252 -0.754 -0.467 1.00 1.05 H new ATOM 0 HG23 VAL A 12 9.284 -2.405 0.197 1.00 1.05 H new ATOM 182 N SER A 13 10.740 0.533 1.077 1.00 1.22 N ATOM 183 CA SER A 13 11.772 1.524 0.865 1.00 1.43 C ATOM 184 C SER A 13 11.160 2.854 0.388 1.00 1.58 C ATOM 185 O SER A 13 10.071 2.885 -0.185 1.00 1.97 O ATOM 186 CB SER A 13 12.813 0.914 -0.084 1.00 1.56 C ATOM 187 OG SER A 13 14.049 0.740 0.599 1.00 1.88 O ATOM 0 H SER A 13 10.781 -0.251 0.426 1.00 1.22 H new ATOM 0 HA SER A 13 12.285 1.783 1.791 1.00 1.43 H new ATOM 0 HB2 SER A 13 12.457 -0.045 -0.460 1.00 1.56 H new ATOM 0 HB3 SER A 13 12.954 1.563 -0.949 1.00 1.56 H new ATOM 0 HG SER A 13 14.708 0.349 -0.012 1.00 1.88 H new ATOM 193 N LYS A 14 11.857 3.956 0.662 1.00 1.56 N ATOM 194 CA LYS A 14 11.306 5.301 0.681 1.00 1.78 C ATOM 195 C LYS A 14 10.721 5.720 -0.665 1.00 1.91 C ATOM 196 O LYS A 14 9.744 6.466 -0.716 1.00 2.49 O ATOM 197 CB LYS A 14 12.399 6.284 1.096 1.00 2.13 C ATOM 198 CG LYS A 14 12.969 5.997 2.490 1.00 2.52 C ATOM 199 CD LYS A 14 13.553 7.283 3.084 1.00 3.33 C ATOM 200 CE LYS A 14 14.752 7.835 2.298 1.00 3.63 C ATOM 201 NZ LYS A 14 14.898 9.285 2.512 1.00 4.51 N ATOM 0 H LYS A 14 12.852 3.931 0.883 1.00 1.56 H new ATOM 0 HA LYS A 14 10.486 5.309 1.399 1.00 1.78 H new ATOM 0 HB2 LYS A 14 13.207 6.249 0.365 1.00 2.13 H new ATOM 0 HB3 LYS A 14 11.995 7.296 1.077 1.00 2.13 H new ATOM 0 HG2 LYS A 14 12.186 5.607 3.140 1.00 2.52 H new ATOM 0 HG3 LYS A 14 13.742 5.231 2.427 1.00 2.52 H new ATOM 0 HD2 LYS A 14 12.773 8.043 3.121 1.00 3.33 H new ATOM 0 HD3 LYS A 14 13.860 7.091 4.112 1.00 3.33 H new ATOM 0 HE2 LYS A 14 15.663 7.324 2.610 1.00 3.63 H new ATOM 0 HE3 LYS A 14 14.620 7.632 1.235 1.00 3.63 H new ATOM 0 HZ1 LYS A 14 15.714 9.635 1.971 1.00 4.51 H new ATOM 0 HZ2 LYS A 14 14.036 9.772 2.192 1.00 4.51 H new ATOM 0 HZ3 LYS A 14 15.047 9.473 3.524 1.00 4.51 H new ATOM 215 N THR A 15 11.356 5.295 -1.751 1.00 1.76 N ATOM 216 CA THR A 15 10.852 5.474 -3.099 1.00 1.92 C ATOM 217 C THR A 15 10.972 4.120 -3.790 1.00 1.74 C ATOM 218 O THR A 15 11.578 4.012 -4.855 1.00 1.95 O ATOM 219 CB THR A 15 11.646 6.597 -3.786 1.00 2.35 C ATOM 220 OG1 THR A 15 13.036 6.362 -3.686 1.00 2.47 O ATOM 221 CG2 THR A 15 11.384 7.936 -3.092 1.00 2.88 C ATOM 0 H THR A 15 12.251 4.808 -1.714 1.00 1.76 H new ATOM 0 HA THR A 15 9.808 5.785 -3.132 1.00 1.92 H new ATOM 0 HB THR A 15 11.328 6.621 -4.828 1.00 2.35 H new ATOM 0 HG1 THR A 15 13.523 7.087 -4.131 1.00 2.47 H new ATOM 0 HG21 THR A 15 11.953 8.721 -3.590 1.00 2.88 H new ATOM 0 HG22 THR A 15 10.321 8.170 -3.143 1.00 2.88 H new ATOM 0 HG23 THR A 15 11.691 7.871 -2.048 1.00 2.88 H new ATOM 229 N ALA A 16 10.485 3.073 -3.116 1.00 1.55 N ATOM 230 CA ALA A 16 10.653 1.703 -3.567 1.00 1.53 C ATOM 231 C ALA A 16 10.188 1.525 -5.007 1.00 1.44 C ATOM 232 O ALA A 16 9.252 2.183 -5.465 1.00 1.43 O ATOM 233 CB ALA A 16 9.894 0.747 -2.653 1.00 1.55 C ATOM 0 H ALA A 16 9.964 3.160 -2.243 1.00 1.55 H new ATOM 0 HA ALA A 16 11.717 1.472 -3.526 1.00 1.53 H new ATOM 0 HB1 ALA A 16 10.029 -0.276 -3.004 1.00 1.55 H new ATOM 0 HB2 ALA A 16 10.276 0.836 -1.636 1.00 1.55 H new ATOM 0 HB3 ALA A 16 8.833 0.997 -2.665 1.00 1.55 H new ATOM 239 N GLU A 17 10.844 0.608 -5.708 1.00 1.59 N ATOM 240 CA GLU A 17 10.409 0.156 -6.991 1.00 1.65 C ATOM 241 C GLU A 17 9.061 -0.542 -6.809 1.00 1.45 C ATOM 242 O GLU A 17 8.884 -1.334 -5.878 1.00 1.27 O ATOM 243 CB GLU A 17 11.498 -0.788 -7.499 1.00 1.98 C ATOM 244 CG GLU A 17 11.249 -1.139 -8.952 1.00 2.09 C ATOM 245 CD GLU A 17 12.402 -1.945 -9.493 1.00 2.96 C ATOM 246 OE1 GLU A 17 13.417 -1.311 -9.844 1.00 3.95 O ATOM 247 OE2 GLU A 17 12.316 -3.185 -9.505 1.00 3.60 O ATOM 0 H GLU A 17 11.702 0.162 -5.383 1.00 1.59 H new ATOM 0 HA GLU A 17 10.266 0.958 -7.716 1.00 1.65 H new ATOM 0 HB2 GLU A 17 12.476 -0.318 -7.393 1.00 1.98 H new ATOM 0 HB3 GLU A 17 11.514 -1.695 -6.895 1.00 1.98 H new ATOM 0 HG2 GLU A 17 10.323 -1.707 -9.044 1.00 2.09 H new ATOM 0 HG3 GLU A 17 11.124 -0.229 -9.538 1.00 2.09 H new ATOM 254 N GLU A 18 8.125 -0.285 -7.718 1.00 1.53 N ATOM 255 CA GLU A 18 6.795 -0.863 -7.662 1.00 1.43 C ATOM 256 C GLU A 18 6.830 -2.398 -7.647 1.00 1.25 C ATOM 257 O GLU A 18 5.970 -3.064 -7.070 1.00 1.12 O ATOM 258 CB GLU A 18 5.956 -0.304 -8.795 1.00 1.71 C ATOM 259 CG GLU A 18 5.788 1.206 -8.570 1.00 2.92 C ATOM 260 CD GLU A 18 5.103 1.566 -7.265 1.00 4.31 C ATOM 261 OE1 GLU A 18 4.244 0.763 -6.847 1.00 4.70 O ATOM 262 OE2 GLU A 18 5.456 2.636 -6.719 1.00 5.76 O ATOM 0 H GLU A 18 8.273 0.333 -8.516 1.00 1.53 H new ATOM 0 HA GLU A 18 6.326 -0.580 -6.720 1.00 1.43 H new ATOM 0 HB2 GLU A 18 6.438 -0.494 -9.754 1.00 1.71 H new ATOM 0 HB3 GLU A 18 4.983 -0.794 -8.825 1.00 1.71 H new ATOM 0 HG2 GLU A 18 6.770 1.677 -8.594 1.00 2.92 H new ATOM 0 HG3 GLU A 18 5.213 1.624 -9.397 1.00 2.92 H new ATOM 269 N ARG A 19 7.873 -2.958 -8.256 1.00 1.35 N ATOM 270 CA ARG A 19 8.242 -4.359 -8.167 1.00 1.37 C ATOM 271 C ARG A 19 8.143 -4.826 -6.707 1.00 1.07 C ATOM 272 O ARG A 19 7.491 -5.834 -6.421 1.00 1.04 O ATOM 273 CB ARG A 19 9.667 -4.499 -8.733 1.00 1.76 C ATOM 274 CG ARG A 19 10.077 -5.856 -9.314 1.00 2.00 C ATOM 275 CD ARG A 19 10.177 -6.998 -8.301 1.00 2.57 C ATOM 276 NE ARG A 19 8.850 -7.548 -8.004 1.00 3.48 N ATOM 277 CZ ARG A 19 8.560 -8.832 -7.783 1.00 4.71 C ATOM 278 NH1 ARG A 19 9.529 -9.717 -7.533 1.00 5.04 N ATOM 279 NH2 ARG A 19 7.284 -9.211 -7.851 1.00 6.14 N ATOM 0 H ARG A 19 8.507 -2.421 -8.848 1.00 1.35 H new ATOM 0 HA ARG A 19 7.569 -4.992 -8.746 1.00 1.37 H new ATOM 0 HB2 ARG A 19 9.792 -3.749 -9.514 1.00 1.76 H new ATOM 0 HB3 ARG A 19 10.369 -4.250 -7.937 1.00 1.76 H new ATOM 0 HG2 ARG A 19 9.357 -6.136 -10.083 1.00 2.00 H new ATOM 0 HG3 ARG A 19 11.042 -5.745 -9.808 1.00 2.00 H new ATOM 0 HD2 ARG A 19 10.822 -7.784 -8.695 1.00 2.57 H new ATOM 0 HD3 ARG A 19 10.640 -6.636 -7.383 1.00 2.57 H new ATOM 0 HE ARG A 19 8.075 -6.886 -7.962 1.00 3.48 H new ATOM 0 HH11 ARG A 19 10.503 -9.414 -7.509 1.00 5.04 H new ATOM 0 HH12 ARG A 19 9.295 -10.696 -7.366 1.00 5.04 H new ATOM 0 HH21 ARG A 19 6.559 -8.526 -8.067 1.00 6.14 H new ATOM 0 HH22 ARG A 19 7.032 -10.186 -7.687 1.00 6.14 H new ATOM 293 N GLU A 20 8.787 -4.101 -5.793 1.00 1.00 N ATOM 294 CA GLU A 20 8.813 -4.427 -4.379 1.00 0.85 C ATOM 295 C GLU A 20 7.507 -4.010 -3.706 1.00 0.70 C ATOM 296 O GLU A 20 7.035 -4.704 -2.813 1.00 0.66 O ATOM 297 CB GLU A 20 10.043 -3.791 -3.722 1.00 1.07 C ATOM 298 CG GLU A 20 10.188 -4.130 -2.229 1.00 1.15 C ATOM 299 CD GLU A 20 10.258 -5.612 -1.911 1.00 2.56 C ATOM 300 OE1 GLU A 20 10.658 -6.403 -2.788 1.00 3.32 O ATOM 301 OE2 GLU A 20 9.958 -5.970 -0.755 1.00 3.84 O ATOM 0 H GLU A 20 9.312 -3.258 -6.024 1.00 1.00 H new ATOM 0 HA GLU A 20 8.896 -5.507 -4.255 1.00 0.85 H new ATOM 0 HB2 GLU A 20 10.938 -4.121 -4.250 1.00 1.07 H new ATOM 0 HB3 GLU A 20 9.987 -2.708 -3.836 1.00 1.07 H new ATOM 0 HG2 GLU A 20 11.089 -3.649 -1.849 1.00 1.15 H new ATOM 0 HG3 GLU A 20 9.345 -3.698 -1.690 1.00 1.15 H new ATOM 308 N ILE A 21 6.879 -2.918 -4.134 1.00 0.73 N ATOM 309 CA ILE A 21 5.557 -2.561 -3.617 1.00 0.66 C ATOM 310 C ILE A 21 4.595 -3.742 -3.783 1.00 0.67 C ATOM 311 O ILE A 21 3.836 -4.062 -2.867 1.00 0.70 O ATOM 312 CB ILE A 21 5.036 -1.289 -4.302 1.00 0.78 C ATOM 313 CG1 ILE A 21 5.886 -0.053 -3.946 1.00 0.87 C ATOM 314 CG2 ILE A 21 3.545 -1.044 -4.049 1.00 0.81 C ATOM 315 CD1 ILE A 21 5.993 0.225 -2.442 1.00 0.93 C ATOM 0 H ILE A 21 7.256 -2.272 -4.827 1.00 0.73 H new ATOM 0 HA ILE A 21 5.632 -2.342 -2.552 1.00 0.66 H new ATOM 0 HB ILE A 21 5.141 -1.459 -5.374 1.00 0.78 H new ATOM 0 HG12 ILE A 21 6.889 -0.187 -4.351 1.00 0.87 H new ATOM 0 HG13 ILE A 21 5.458 0.822 -4.436 1.00 0.87 H new ATOM 0 HG21 ILE A 21 3.235 -0.131 -4.558 1.00 0.81 H new ATOM 0 HG22 ILE A 21 2.968 -1.886 -4.430 1.00 0.81 H new ATOM 0 HG23 ILE A 21 3.370 -0.940 -2.978 1.00 0.81 H new ATOM 0 HD11 ILE A 21 6.607 1.110 -2.278 1.00 0.93 H new ATOM 0 HD12 ILE A 21 4.997 0.393 -2.031 1.00 0.93 H new ATOM 0 HD13 ILE A 21 6.450 -0.631 -1.945 1.00 0.93 H new ATOM 327 N ARG A 22 4.663 -4.440 -4.917 1.00 0.76 N ATOM 328 CA ARG A 22 3.904 -5.665 -5.127 1.00 0.85 C ATOM 329 C ARG A 22 4.177 -6.664 -3.996 1.00 0.76 C ATOM 330 O ARG A 22 3.261 -7.304 -3.478 1.00 0.85 O ATOM 331 CB ARG A 22 4.270 -6.281 -6.491 1.00 1.02 C ATOM 332 CG ARG A 22 3.021 -6.565 -7.326 1.00 1.26 C ATOM 333 CD ARG A 22 2.523 -5.272 -7.977 1.00 1.38 C ATOM 334 NE ARG A 22 1.217 -5.488 -8.613 1.00 1.74 N ATOM 335 CZ ARG A 22 0.692 -4.750 -9.597 1.00 2.60 C ATOM 336 NH1 ARG A 22 1.303 -3.642 -10.010 1.00 3.81 N ATOM 337 NH2 ARG A 22 -0.439 -5.159 -10.159 1.00 2.82 N ATOM 0 H ARG A 22 5.244 -4.170 -5.711 1.00 0.76 H new ATOM 0 HA ARG A 22 2.840 -5.426 -5.123 1.00 0.85 H new ATOM 0 HB2 ARG A 22 4.927 -5.602 -7.035 1.00 1.02 H new ATOM 0 HB3 ARG A 22 4.825 -7.206 -6.337 1.00 1.02 H new ATOM 0 HG2 ARG A 22 3.247 -7.305 -8.094 1.00 1.26 H new ATOM 0 HG3 ARG A 22 2.240 -6.989 -6.695 1.00 1.26 H new ATOM 0 HD2 ARG A 22 2.443 -4.487 -7.225 1.00 1.38 H new ATOM 0 HD3 ARG A 22 3.244 -4.930 -8.720 1.00 1.38 H new ATOM 0 HE ARG A 22 0.660 -6.272 -8.273 1.00 1.74 H new ATOM 0 HH11 ARG A 22 2.178 -3.350 -9.575 1.00 3.81 H new ATOM 0 HH12 ARG A 22 0.896 -3.085 -10.761 1.00 3.81 H new ATOM 0 HH21 ARG A 22 -0.886 -6.018 -9.838 1.00 2.82 H new ATOM 0 HH22 ARG A 22 -0.861 -4.615 -10.912 1.00 2.82 H new ATOM 351 N LYS A 23 5.451 -6.835 -3.648 1.00 0.67 N ATOM 352 CA LYS A 23 5.889 -7.674 -2.559 1.00 0.66 C ATOM 353 C LYS A 23 5.228 -7.230 -1.256 1.00 0.66 C ATOM 354 O LYS A 23 4.580 -8.042 -0.599 1.00 0.78 O ATOM 355 CB LYS A 23 7.422 -7.638 -2.458 1.00 0.70 C ATOM 356 CG LYS A 23 8.037 -8.942 -1.951 1.00 1.69 C ATOM 357 CD LYS A 23 8.075 -9.984 -3.073 1.00 1.66 C ATOM 358 CE LYS A 23 8.802 -11.244 -2.597 1.00 3.14 C ATOM 359 NZ LYS A 23 9.137 -12.134 -3.721 1.00 3.47 N ATOM 0 H LYS A 23 6.220 -6.376 -4.136 1.00 0.67 H new ATOM 0 HA LYS A 23 5.589 -8.705 -2.748 1.00 0.66 H new ATOM 0 HB2 LYS A 23 7.836 -7.409 -3.440 1.00 0.70 H new ATOM 0 HB3 LYS A 23 7.714 -6.826 -1.792 1.00 0.70 H new ATOM 0 HG2 LYS A 23 9.046 -8.757 -1.583 1.00 1.69 H new ATOM 0 HG3 LYS A 23 7.456 -9.323 -1.111 1.00 1.69 H new ATOM 0 HD2 LYS A 23 7.060 -10.235 -3.381 1.00 1.66 H new ATOM 0 HD3 LYS A 23 8.580 -9.571 -3.946 1.00 1.66 H new ATOM 0 HE2 LYS A 23 9.714 -10.962 -2.071 1.00 3.14 H new ATOM 0 HE3 LYS A 23 8.175 -11.779 -1.883 1.00 3.14 H new ATOM 0 HZ1 LYS A 23 9.628 -12.977 -3.362 1.00 3.47 H new ATOM 0 HZ2 LYS A 23 8.264 -12.423 -4.207 1.00 3.47 H new ATOM 0 HZ3 LYS A 23 9.755 -11.631 -4.389 1.00 3.47 H new ATOM 373 N ALA A 24 5.394 -5.957 -0.887 1.00 0.61 N ATOM 374 CA ALA A 24 4.870 -5.411 0.350 1.00 0.65 C ATOM 375 C ALA A 24 3.372 -5.666 0.444 1.00 0.67 C ATOM 376 O ALA A 24 2.897 -6.179 1.444 1.00 0.76 O ATOM 377 CB ALA A 24 5.173 -3.917 0.445 1.00 0.69 C ATOM 0 H ALA A 24 5.903 -5.276 -1.451 1.00 0.61 H new ATOM 0 HA ALA A 24 5.357 -5.910 1.188 1.00 0.65 H new ATOM 0 HB1 ALA A 24 4.773 -3.523 1.379 1.00 0.69 H new ATOM 0 HB2 ALA A 24 6.252 -3.762 0.418 1.00 0.69 H new ATOM 0 HB3 ALA A 24 4.711 -3.398 -0.395 1.00 0.69 H new ATOM 383 N TYR A 25 2.621 -5.346 -0.604 1.00 0.66 N ATOM 384 CA TYR A 25 1.176 -5.511 -0.624 1.00 0.74 C ATOM 385 C TYR A 25 0.776 -6.947 -0.269 1.00 0.81 C ATOM 386 O TYR A 25 -0.110 -7.160 0.563 1.00 0.94 O ATOM 387 CB TYR A 25 0.682 -5.053 -2.000 1.00 0.79 C ATOM 388 CG TYR A 25 -0.700 -5.500 -2.430 1.00 0.93 C ATOM 389 CD1 TYR A 25 -1.851 -4.854 -1.937 1.00 1.68 C ATOM 390 CD2 TYR A 25 -0.817 -6.421 -3.487 1.00 2.27 C ATOM 391 CE1 TYR A 25 -3.105 -5.097 -2.531 1.00 1.93 C ATOM 392 CE2 TYR A 25 -2.066 -6.653 -4.082 1.00 2.65 C ATOM 393 CZ TYR A 25 -3.198 -5.954 -3.641 1.00 1.93 C ATOM 394 OH TYR A 25 -4.377 -6.170 -4.285 1.00 2.53 O ATOM 0 H TYR A 25 3.003 -4.962 -1.469 1.00 0.66 H new ATOM 0 HA TYR A 25 0.697 -4.898 0.139 1.00 0.74 H new ATOM 0 HB2 TYR A 25 0.705 -3.963 -2.020 1.00 0.79 H new ATOM 0 HB3 TYR A 25 1.396 -5.401 -2.747 1.00 0.79 H new ATOM 0 HD1 TYR A 25 -1.772 -4.172 -1.103 1.00 1.68 H new ATOM 0 HD2 TYR A 25 0.056 -6.950 -3.841 1.00 2.27 H new ATOM 0 HE1 TYR A 25 -3.992 -4.626 -2.135 1.00 1.93 H new ATOM 0 HE2 TYR A 25 -2.156 -7.373 -4.882 1.00 2.65 H new ATOM 0 HH TYR A 25 -4.235 -6.793 -5.028 1.00 2.53 H new ATOM 404 N LYS A 26 1.412 -7.945 -0.879 1.00 0.79 N ATOM 405 CA LYS A 26 1.187 -9.330 -0.532 1.00 0.84 C ATOM 406 C LYS A 26 1.571 -9.598 0.926 1.00 0.85 C ATOM 407 O LYS A 26 0.765 -10.081 1.718 1.00 0.99 O ATOM 408 CB LYS A 26 1.969 -10.241 -1.484 1.00 0.86 C ATOM 409 CG LYS A 26 1.414 -10.153 -2.912 1.00 2.61 C ATOM 410 CD LYS A 26 2.041 -11.216 -3.821 1.00 3.04 C ATOM 411 CE LYS A 26 3.576 -11.134 -3.838 1.00 3.94 C ATOM 412 NZ LYS A 26 4.160 -12.076 -4.810 1.00 5.09 N ATOM 0 H LYS A 26 2.094 -7.808 -1.625 1.00 0.79 H new ATOM 0 HA LYS A 26 0.124 -9.549 -0.637 1.00 0.84 H new ATOM 0 HB2 LYS A 26 3.021 -9.957 -1.481 1.00 0.86 H new ATOM 0 HB3 LYS A 26 1.916 -11.271 -1.132 1.00 0.86 H new ATOM 0 HG2 LYS A 26 0.332 -10.281 -2.892 1.00 2.61 H new ATOM 0 HG3 LYS A 26 1.610 -9.161 -3.320 1.00 2.61 H new ATOM 0 HD2 LYS A 26 1.736 -12.206 -3.483 1.00 3.04 H new ATOM 0 HD3 LYS A 26 1.661 -11.094 -4.835 1.00 3.04 H new ATOM 0 HE2 LYS A 26 3.884 -10.118 -4.085 1.00 3.94 H new ATOM 0 HE3 LYS A 26 3.963 -11.351 -2.843 1.00 3.94 H new ATOM 0 HZ1 LYS A 26 5.197 -11.993 -4.794 1.00 5.09 H new ATOM 0 HZ2 LYS A 26 3.887 -13.048 -4.559 1.00 5.09 H new ATOM 0 HZ3 LYS A 26 3.809 -11.853 -5.763 1.00 5.09 H new ATOM 426 N ARG A 27 2.824 -9.297 1.264 1.00 0.78 N ATOM 427 CA ARG A 27 3.414 -9.491 2.582 1.00 0.81 C ATOM 428 C ARG A 27 2.466 -9.002 3.674 1.00 0.74 C ATOM 429 O ARG A 27 2.225 -9.676 4.672 1.00 0.77 O ATOM 430 CB ARG A 27 4.723 -8.685 2.625 1.00 1.07 C ATOM 431 CG ARG A 27 5.571 -8.893 3.879 1.00 1.50 C ATOM 432 CD ARG A 27 6.186 -10.292 3.883 1.00 2.28 C ATOM 433 NE ARG A 27 5.568 -11.184 4.872 1.00 3.71 N ATOM 434 CZ ARG A 27 5.926 -12.469 5.008 1.00 5.21 C ATOM 435 NH1 ARG A 27 6.823 -12.997 4.170 1.00 5.65 N ATOM 436 NH2 ARG A 27 5.385 -13.206 5.971 1.00 6.70 N ATOM 0 H ARG A 27 3.481 -8.894 0.596 1.00 0.78 H new ATOM 0 HA ARG A 27 3.603 -10.550 2.757 1.00 0.81 H new ATOM 0 HB2 ARG A 27 5.322 -8.947 1.753 1.00 1.07 H new ATOM 0 HB3 ARG A 27 4.482 -7.625 2.540 1.00 1.07 H new ATOM 0 HG2 ARG A 27 6.360 -8.142 3.920 1.00 1.50 H new ATOM 0 HG3 ARG A 27 4.955 -8.757 4.768 1.00 1.50 H new ATOM 0 HD2 ARG A 27 6.084 -10.731 2.891 1.00 2.28 H new ATOM 0 HD3 ARG A 27 7.254 -10.214 4.089 1.00 2.28 H new ATOM 0 HE ARG A 27 4.838 -10.812 5.479 1.00 3.71 H new ATOM 0 HH11 ARG A 27 7.231 -12.423 3.432 1.00 5.65 H new ATOM 0 HH12 ARG A 27 7.100 -13.974 4.268 1.00 5.65 H new ATOM 0 HH21 ARG A 27 4.700 -12.794 6.604 1.00 6.70 H new ATOM 0 HH22 ARG A 27 5.655 -14.184 6.077 1.00 6.70 H new ATOM 450 N LEU A 28 1.950 -7.798 3.471 1.00 0.73 N ATOM 451 CA LEU A 28 1.145 -7.069 4.417 1.00 0.68 C ATOM 452 C LEU A 28 -0.173 -7.811 4.560 1.00 0.65 C ATOM 453 O LEU A 28 -0.634 -8.058 5.670 1.00 0.70 O ATOM 454 CB LEU A 28 0.874 -5.696 3.819 1.00 0.84 C ATOM 455 CG LEU A 28 2.034 -4.731 4.076 1.00 1.25 C ATOM 456 CD1 LEU A 28 1.928 -3.593 3.063 1.00 2.07 C ATOM 457 CD2 LEU A 28 2.064 -4.176 5.506 1.00 1.34 C ATOM 0 H LEU A 28 2.093 -7.287 2.600 1.00 0.73 H new ATOM 0 HA LEU A 28 1.638 -6.975 5.385 1.00 0.68 H new ATOM 0 HB2 LEU A 28 0.711 -5.792 2.746 1.00 0.84 H new ATOM 0 HB3 LEU A 28 -0.042 -5.287 4.246 1.00 0.84 H new ATOM 0 HG LEU A 28 2.967 -5.282 3.959 1.00 1.25 H new ATOM 0 HD11 LEU A 28 2.743 -2.887 3.222 1.00 2.07 H new ATOM 0 HD12 LEU A 28 1.990 -3.998 2.053 1.00 2.07 H new ATOM 0 HD13 LEU A 28 0.975 -3.080 3.190 1.00 2.07 H new ATOM 0 HD21 LEU A 28 2.912 -3.500 5.616 1.00 1.34 H new ATOM 0 HD22 LEU A 28 1.139 -3.634 5.706 1.00 1.34 H new ATOM 0 HD23 LEU A 28 2.162 -4.999 6.214 1.00 1.34 H new ATOM 469 N ALA A 29 -0.781 -8.183 3.434 1.00 0.68 N ATOM 470 CA ALA A 29 -2.045 -8.886 3.470 1.00 0.77 C ATOM 471 C ALA A 29 -1.935 -10.145 4.336 1.00 0.83 C ATOM 472 O ALA A 29 -2.855 -10.453 5.084 1.00 0.97 O ATOM 473 CB ALA A 29 -2.522 -9.208 2.054 1.00 0.93 C ATOM 0 H ALA A 29 -0.416 -8.007 2.498 1.00 0.68 H new ATOM 0 HA ALA A 29 -2.794 -8.239 3.927 1.00 0.77 H new ATOM 0 HB1 ALA A 29 -3.474 -9.737 2.102 1.00 0.93 H new ATOM 0 HB2 ALA A 29 -2.649 -8.282 1.493 1.00 0.93 H new ATOM 0 HB3 ALA A 29 -1.783 -9.835 1.555 1.00 0.93 H new ATOM 479 N MET A 30 -0.815 -10.868 4.250 1.00 0.86 N ATOM 480 CA MET A 30 -0.540 -12.013 5.115 1.00 1.03 C ATOM 481 C MET A 30 -0.436 -11.574 6.583 1.00 1.10 C ATOM 482 O MET A 30 -0.847 -12.287 7.496 1.00 1.35 O ATOM 483 CB MET A 30 0.764 -12.711 4.697 1.00 1.35 C ATOM 484 CG MET A 30 0.787 -13.126 3.223 1.00 2.05 C ATOM 485 SD MET A 30 -0.221 -14.558 2.796 1.00 3.48 S ATOM 486 CE MET A 30 0.109 -14.579 1.024 1.00 3.94 C ATOM 0 H MET A 30 -0.074 -10.674 3.577 1.00 0.86 H new ATOM 0 HA MET A 30 -1.369 -12.713 5.010 1.00 1.03 H new ATOM 0 HB2 MET A 30 1.603 -12.043 4.892 1.00 1.35 H new ATOM 0 HB3 MET A 30 0.909 -13.595 5.318 1.00 1.35 H new ATOM 0 HG2 MET A 30 0.456 -12.280 2.621 1.00 2.05 H new ATOM 0 HG3 MET A 30 1.819 -13.334 2.940 1.00 2.05 H new ATOM 0 HE1 MET A 30 -0.431 -15.406 0.563 1.00 3.94 H new ATOM 0 HE2 MET A 30 -0.220 -13.639 0.581 1.00 3.94 H new ATOM 0 HE3 MET A 30 1.178 -14.705 0.855 1.00 3.94 H new ATOM 496 N LYS A 31 0.165 -10.412 6.824 1.00 1.04 N ATOM 497 CA LYS A 31 0.416 -9.852 8.145 1.00 1.27 C ATOM 498 C LYS A 31 -0.897 -9.761 8.937 1.00 1.34 C ATOM 499 O LYS A 31 -0.912 -10.004 10.142 1.00 1.74 O ATOM 500 CB LYS A 31 1.146 -8.507 7.975 1.00 1.34 C ATOM 501 CG LYS A 31 2.327 -8.241 8.926 1.00 1.55 C ATOM 502 CD LYS A 31 1.974 -7.475 10.205 1.00 2.05 C ATOM 503 CE LYS A 31 1.247 -6.165 9.867 1.00 3.21 C ATOM 504 NZ LYS A 31 1.473 -5.086 10.846 1.00 4.47 N ATOM 0 H LYS A 31 0.504 -9.812 6.072 1.00 1.04 H new ATOM 0 HA LYS A 31 1.067 -10.497 8.735 1.00 1.27 H new ATOM 0 HB2 LYS A 31 1.513 -8.445 6.950 1.00 1.34 H new ATOM 0 HB3 LYS A 31 0.418 -7.705 8.102 1.00 1.34 H new ATOM 0 HG2 LYS A 31 2.771 -9.197 9.205 1.00 1.55 H new ATOM 0 HG3 LYS A 31 3.090 -7.681 8.385 1.00 1.55 H new ATOM 0 HD2 LYS A 31 1.343 -8.093 10.843 1.00 2.05 H new ATOM 0 HD3 LYS A 31 2.882 -7.259 10.768 1.00 2.05 H new ATOM 0 HE2 LYS A 31 1.572 -5.824 8.884 1.00 3.21 H new ATOM 0 HE3 LYS A 31 0.177 -6.362 9.799 1.00 3.21 H new ATOM 0 HZ1 LYS A 31 0.952 -4.235 10.552 1.00 4.47 H new ATOM 0 HZ2 LYS A 31 1.138 -5.391 11.782 1.00 4.47 H new ATOM 0 HZ3 LYS A 31 2.489 -4.870 10.896 1.00 4.47 H new ATOM 518 N TYR A 32 -2.016 -9.465 8.277 1.00 1.23 N ATOM 519 CA TYR A 32 -3.354 -9.532 8.848 1.00 1.59 C ATOM 520 C TYR A 32 -4.235 -10.481 8.022 1.00 1.71 C ATOM 521 O TYR A 32 -5.376 -10.145 7.696 1.00 2.31 O ATOM 522 CB TYR A 32 -3.915 -8.111 8.970 1.00 1.86 C ATOM 523 CG TYR A 32 -3.731 -7.218 7.761 1.00 1.76 C ATOM 524 CD1 TYR A 32 -4.621 -7.291 6.675 1.00 3.09 C ATOM 525 CD2 TYR A 32 -2.597 -6.393 7.678 1.00 2.35 C ATOM 526 CE1 TYR A 32 -4.285 -6.692 5.453 1.00 4.01 C ATOM 527 CE2 TYR A 32 -2.279 -5.764 6.465 1.00 3.24 C ATOM 528 CZ TYR A 32 -3.091 -5.966 5.337 1.00 3.84 C ATOM 529 OH TYR A 32 -2.643 -5.605 4.103 1.00 5.19 O ATOM 0 H TYR A 32 -2.013 -9.164 7.303 1.00 1.23 H new ATOM 0 HA TYR A 32 -3.329 -9.952 9.853 1.00 1.59 H new ATOM 0 HB2 TYR A 32 -4.981 -8.180 9.187 1.00 1.86 H new ATOM 0 HB3 TYR A 32 -3.446 -7.629 9.828 1.00 1.86 H new ATOM 0 HD1 TYR A 32 -5.563 -7.808 6.782 1.00 3.09 H new ATOM 0 HD2 TYR A 32 -1.972 -6.243 8.546 1.00 2.35 H new ATOM 0 HE1 TYR A 32 -4.944 -6.789 4.603 1.00 4.01 H new ATOM 0 HE2 TYR A 32 -1.411 -5.125 6.399 1.00 3.24 H new ATOM 0 HH TYR A 32 -3.131 -4.812 3.797 1.00 5.19 H new ATOM 539 N HIS A 33 -3.684 -11.660 7.702 1.00 1.51 N ATOM 540 CA HIS A 33 -4.296 -12.723 6.900 1.00 1.80 C ATOM 541 C HIS A 33 -5.824 -12.746 7.070 1.00 2.10 C ATOM 542 O HIS A 33 -6.290 -13.098 8.156 1.00 2.26 O ATOM 543 CB HIS A 33 -3.676 -14.085 7.268 1.00 1.97 C ATOM 544 CG HIS A 33 -3.573 -15.057 6.118 1.00 2.61 C ATOM 545 ND1 HIS A 33 -2.437 -15.746 5.759 1.00 4.04 N ATOM 546 CD2 HIS A 33 -4.579 -15.457 5.277 1.00 2.79 C ATOM 547 CE1 HIS A 33 -2.747 -16.537 4.722 1.00 4.45 C ATOM 548 NE2 HIS A 33 -4.037 -16.387 4.378 1.00 3.59 N ATOM 0 H HIS A 33 -2.746 -11.909 8.015 1.00 1.51 H new ATOM 0 HA HIS A 33 -4.092 -12.520 5.849 1.00 1.80 H new ATOM 0 HB2 HIS A 33 -2.679 -13.918 7.676 1.00 1.97 H new ATOM 0 HB3 HIS A 33 -4.272 -14.540 8.059 1.00 1.97 H new ATOM 0 HD2 HIS A 33 -5.604 -15.117 5.302 1.00 2.79 H new ATOM 0 HE1 HIS A 33 -2.054 -17.204 4.230 1.00 4.45 H new ATOM 0 HE2 HIS A 33 -4.525 -16.856 3.615 1.00 3.59 H new ATOM 556 N PRO A 34 -6.599 -12.325 6.056 1.00 2.55 N ATOM 557 CA PRO A 34 -8.036 -12.158 6.186 1.00 3.04 C ATOM 558 C PRO A 34 -8.734 -13.511 6.310 1.00 3.17 C ATOM 559 O PRO A 34 -8.079 -14.551 6.288 1.00 3.70 O ATOM 560 CB PRO A 34 -8.472 -11.382 4.941 1.00 3.72 C ATOM 561 CG PRO A 34 -7.423 -11.760 3.898 1.00 3.77 C ATOM 562 CD PRO A 34 -6.153 -11.922 4.733 1.00 2.95 C ATOM 0 HA PRO A 34 -8.308 -11.614 7.091 1.00 3.04 H new ATOM 0 HB2 PRO A 34 -9.475 -11.666 4.622 1.00 3.72 H new ATOM 0 HB3 PRO A 34 -8.488 -10.307 5.123 1.00 3.72 H new ATOM 0 HG2 PRO A 34 -7.685 -12.681 3.378 1.00 3.77 H new ATOM 0 HG3 PRO A 34 -7.311 -10.986 3.139 1.00 3.77 H new ATOM 0 HD2 PRO A 34 -5.492 -12.671 4.298 1.00 2.95 H new ATOM 0 HD3 PRO A 34 -5.592 -10.989 4.777 1.00 2.95 H new ATOM 570 N ASP A 35 -10.066 -13.478 6.448 1.00 3.75 N ATOM 571 CA ASP A 35 -10.876 -14.564 6.999 1.00 4.00 C ATOM 572 C ASP A 35 -10.429 -14.806 8.440 1.00 3.13 C ATOM 573 O ASP A 35 -11.037 -14.277 9.375 1.00 3.61 O ATOM 574 CB ASP A 35 -10.871 -15.838 6.134 1.00 5.34 C ATOM 575 CG ASP A 35 -11.193 -17.047 6.997 1.00 5.66 C ATOM 576 OD1 ASP A 35 -12.305 -17.043 7.561 1.00 6.61 O ATOM 577 OD2 ASP A 35 -10.287 -17.893 7.136 1.00 5.52 O ATOM 0 H ASP A 35 -10.623 -12.670 6.170 1.00 3.75 H new ATOM 0 HA ASP A 35 -11.924 -14.264 6.993 1.00 4.00 H new ATOM 0 HB2 ASP A 35 -11.603 -15.747 5.332 1.00 5.34 H new ATOM 0 HB3 ASP A 35 -9.896 -15.965 5.663 1.00 5.34 H new ATOM 582 N ARG A 36 -9.300 -15.488 8.611 1.00 3.27 N ATOM 583 CA ARG A 36 -8.732 -15.878 9.890 1.00 4.18 C ATOM 584 C ARG A 36 -8.029 -14.676 10.540 1.00 4.62 C ATOM 585 O ARG A 36 -6.872 -14.759 10.941 1.00 6.21 O ATOM 586 CB ARG A 36 -7.775 -17.067 9.685 1.00 5.52 C ATOM 587 CG ARG A 36 -6.799 -16.889 8.501 1.00 6.26 C ATOM 588 CD ARG A 36 -5.364 -17.270 8.894 1.00 7.57 C ATOM 589 NE ARG A 36 -4.935 -16.454 10.037 1.00 7.30 N ATOM 590 CZ ARG A 36 -3.827 -16.599 10.767 1.00 7.87 C ATOM 591 NH1 ARG A 36 -2.802 -17.334 10.337 1.00 8.93 N ATOM 592 NH2 ARG A 36 -3.736 -16.019 11.957 1.00 7.92 N ATOM 0 H ARG A 36 -8.732 -15.796 7.822 1.00 3.27 H new ATOM 0 HA ARG A 36 -9.523 -16.198 10.569 1.00 4.18 H new ATOM 0 HB2 ARG A 36 -7.199 -17.219 10.598 1.00 5.52 H new ATOM 0 HB3 ARG A 36 -8.363 -17.971 9.525 1.00 5.52 H new ATOM 0 HG2 ARG A 36 -7.124 -17.506 7.664 1.00 6.26 H new ATOM 0 HG3 ARG A 36 -6.822 -15.853 8.161 1.00 6.26 H new ATOM 0 HD2 ARG A 36 -5.315 -18.328 9.151 1.00 7.57 H new ATOM 0 HD3 ARG A 36 -4.691 -17.115 8.050 1.00 7.57 H new ATOM 0 HE ARG A 36 -5.555 -15.689 10.304 1.00 7.30 H new ATOM 0 HH11 ARG A 36 -2.854 -17.801 9.432 1.00 8.93 H new ATOM 0 HH12 ARG A 36 -1.966 -17.430 10.913 1.00 8.93 H new ATOM 0 HH21 ARG A 36 -4.513 -15.462 12.314 1.00 7.92 H new ATOM 0 HH22 ARG A 36 -2.889 -16.130 12.515 1.00 7.92 H new ATOM 606 N ASN A 37 -8.736 -13.559 10.673 1.00 3.51 N ATOM 607 CA ASN A 37 -8.331 -12.341 11.370 1.00 3.69 C ATOM 608 C ASN A 37 -9.414 -12.001 12.387 1.00 3.83 C ATOM 609 O ASN A 37 -9.728 -10.841 12.628 1.00 3.92 O ATOM 610 CB ASN A 37 -8.109 -11.183 10.381 1.00 3.42 C ATOM 611 CG ASN A 37 -9.377 -10.535 9.810 1.00 3.77 C ATOM 612 OD1 ASN A 37 -9.437 -9.313 9.688 1.00 4.56 O ATOM 613 ND2 ASN A 37 -10.377 -11.300 9.378 1.00 4.44 N ATOM 0 H ASN A 37 -9.669 -13.474 10.270 1.00 3.51 H new ATOM 0 HA ASN A 37 -7.381 -12.501 11.880 1.00 3.69 H new ATOM 0 HB2 ASN A 37 -7.524 -10.411 10.881 1.00 3.42 H new ATOM 0 HB3 ASN A 37 -7.507 -11.551 9.550 1.00 3.42 H new ATOM 0 HD21 ASN A 37 -11.195 -10.873 8.945 1.00 4.44 H new ATOM 0 HD22 ASN A 37 -10.325 -12.314 9.480 1.00 4.44 H new ATOM 620 N GLN A 38 -10.042 -13.042 12.931 1.00 4.24 N ATOM 621 CA GLN A 38 -11.299 -12.896 13.631 1.00 4.57 C ATOM 622 C GLN A 38 -11.028 -12.102 14.916 1.00 4.95 C ATOM 623 O GLN A 38 -9.905 -12.081 15.425 1.00 5.80 O ATOM 624 CB GLN A 38 -11.840 -14.302 13.946 1.00 5.32 C ATOM 625 CG GLN A 38 -12.604 -14.938 12.771 1.00 5.56 C ATOM 626 CD GLN A 38 -13.615 -14.007 12.113 1.00 5.56 C ATOM 627 OE1 GLN A 38 -14.498 -13.480 12.780 1.00 5.52 O ATOM 628 NE2 GLN A 38 -13.471 -13.754 10.818 1.00 6.47 N ATOM 0 H GLN A 38 -9.691 -13.999 12.895 1.00 4.24 H new ATOM 0 HA GLN A 38 -12.041 -12.365 13.035 1.00 4.57 H new ATOM 0 HB2 GLN A 38 -11.008 -14.950 14.223 1.00 5.32 H new ATOM 0 HB3 GLN A 38 -12.501 -14.244 14.811 1.00 5.32 H new ATOM 0 HG2 GLN A 38 -11.886 -15.267 12.020 1.00 5.56 H new ATOM 0 HG3 GLN A 38 -13.123 -15.828 13.127 1.00 5.56 H new ATOM 0 HE21 GLN A 38 -12.726 -14.208 10.289 1.00 6.47 H new ATOM 0 HE22 GLN A 38 -14.105 -13.105 10.351 1.00 6.47 H new ATOM 637 N GLY A 39 -12.043 -11.422 15.438 1.00 4.79 N ATOM 638 CA GLY A 39 -11.888 -10.589 16.620 1.00 5.34 C ATOM 639 C GLY A 39 -11.289 -9.225 16.271 1.00 4.75 C ATOM 640 O GLY A 39 -11.750 -8.212 16.801 1.00 4.89 O ATOM 0 H GLY A 39 -12.989 -11.434 15.056 1.00 4.79 H new ATOM 0 HA2 GLY A 39 -12.858 -10.450 17.098 1.00 5.34 H new ATOM 0 HA3 GLY A 39 -11.247 -11.095 17.341 1.00 5.34 H new ATOM 644 N ASP A 40 -10.277 -9.177 15.396 1.00 4.20 N ATOM 645 CA ASP A 40 -9.765 -7.930 14.868 1.00 3.64 C ATOM 646 C ASP A 40 -10.857 -7.221 14.062 1.00 3.34 C ATOM 647 O ASP A 40 -11.925 -7.783 13.816 1.00 4.06 O ATOM 648 CB ASP A 40 -8.475 -8.136 14.056 1.00 3.44 C ATOM 649 CG ASP A 40 -7.586 -6.909 14.089 1.00 3.43 C ATOM 650 OD1 ASP A 40 -7.913 -5.909 13.429 1.00 3.39 O ATOM 651 OD2 ASP A 40 -6.534 -6.952 14.764 1.00 4.15 O ATOM 0 H ASP A 40 -9.799 -10.005 15.042 1.00 4.20 H new ATOM 0 HA ASP A 40 -9.489 -7.286 15.703 1.00 3.64 H new ATOM 0 HB2 ASP A 40 -7.928 -8.991 14.453 1.00 3.44 H new ATOM 0 HB3 ASP A 40 -8.730 -8.372 13.023 1.00 3.44 H new ATOM 656 N LYS A 41 -10.594 -5.986 13.664 1.00 2.86 N ATOM 657 CA LYS A 41 -11.477 -5.180 12.843 1.00 2.59 C ATOM 658 C LYS A 41 -10.658 -4.096 12.153 1.00 1.97 C ATOM 659 O LYS A 41 -10.860 -3.819 10.967 1.00 1.88 O ATOM 660 CB LYS A 41 -12.598 -4.549 13.678 1.00 2.90 C ATOM 661 CG LYS A 41 -13.911 -5.342 13.584 1.00 3.97 C ATOM 662 CD LYS A 41 -15.133 -4.515 14.012 1.00 4.06 C ATOM 663 CE LYS A 41 -15.283 -3.176 13.267 1.00 3.42 C ATOM 664 NZ LYS A 41 -15.140 -3.275 11.795 1.00 4.07 N ATOM 0 H LYS A 41 -9.731 -5.503 13.913 1.00 2.86 H new ATOM 0 HA LYS A 41 -11.947 -5.822 12.098 1.00 2.59 H new ATOM 0 HB2 LYS A 41 -12.284 -4.492 14.720 1.00 2.90 H new ATOM 0 HB3 LYS A 41 -12.768 -3.527 13.340 1.00 2.90 H new ATOM 0 HG2 LYS A 41 -14.051 -5.686 12.559 1.00 3.97 H new ATOM 0 HG3 LYS A 41 -13.840 -6.230 14.212 1.00 3.97 H new ATOM 0 HD2 LYS A 41 -16.033 -5.109 13.853 1.00 4.06 H new ATOM 0 HD3 LYS A 41 -15.067 -4.317 15.082 1.00 4.06 H new ATOM 0 HE2 LYS A 41 -16.261 -2.754 13.497 1.00 3.42 H new ATOM 0 HE3 LYS A 41 -14.537 -2.478 13.646 1.00 3.42 H new ATOM 0 HZ1 LYS A 41 -15.288 -2.338 11.368 1.00 4.07 H new ATOM 0 HZ2 LYS A 41 -14.186 -3.615 11.561 1.00 4.07 H new ATOM 0 HZ3 LYS A 41 -15.846 -3.941 11.422 1.00 4.07 H new ATOM 678 N GLU A 42 -9.744 -3.455 12.886 1.00 1.69 N ATOM 679 CA GLU A 42 -8.870 -2.484 12.268 1.00 1.34 C ATOM 680 C GLU A 42 -8.095 -3.116 11.116 1.00 1.16 C ATOM 681 O GLU A 42 -7.755 -2.400 10.190 1.00 1.01 O ATOM 682 CB GLU A 42 -7.947 -1.773 13.258 1.00 1.61 C ATOM 683 CG GLU A 42 -6.938 -2.696 13.950 1.00 2.57 C ATOM 684 CD GLU A 42 -5.788 -1.915 14.544 1.00 3.03 C ATOM 685 OE1 GLU A 42 -5.443 -0.850 13.988 1.00 3.66 O ATOM 686 OE2 GLU A 42 -5.215 -2.405 15.538 1.00 3.60 O ATOM 0 H GLU A 42 -9.599 -3.594 13.886 1.00 1.69 H new ATOM 0 HA GLU A 42 -9.510 -1.700 11.864 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -7.403 -0.989 12.732 1.00 1.61 H new ATOM 0 HB3 GLU A 42 -8.556 -1.284 14.018 1.00 1.61 H new ATOM 0 HG2 GLU A 42 -7.440 -3.261 14.736 1.00 2.57 H new ATOM 0 HG3 GLU A 42 -6.554 -3.421 13.232 1.00 2.57 H new ATOM 693 N ALA A 43 -7.833 -4.427 11.144 1.00 1.26 N ATOM 694 CA ALA A 43 -7.272 -5.192 10.048 1.00 1.20 C ATOM 695 C ALA A 43 -7.868 -4.766 8.711 1.00 0.96 C ATOM 696 O ALA A 43 -7.139 -4.562 7.743 1.00 0.89 O ATOM 697 CB ALA A 43 -7.520 -6.688 10.266 1.00 1.39 C ATOM 0 H ALA A 43 -8.017 -4.998 11.969 1.00 1.26 H new ATOM 0 HA ALA A 43 -6.200 -4.999 10.024 1.00 1.20 H new ATOM 0 HB1 ALA A 43 -7.094 -7.252 9.436 1.00 1.39 H new ATOM 0 HB2 ALA A 43 -7.050 -7.003 11.198 1.00 1.39 H new ATOM 0 HB3 ALA A 43 -8.593 -6.875 10.319 1.00 1.39 H new ATOM 703 N GLU A 44 -9.191 -4.622 8.664 1.00 0.92 N ATOM 704 CA GLU A 44 -9.875 -4.209 7.455 1.00 0.81 C ATOM 705 C GLU A 44 -9.405 -2.811 7.066 1.00 0.67 C ATOM 706 O GLU A 44 -8.927 -2.593 5.960 1.00 0.59 O ATOM 707 CB GLU A 44 -11.387 -4.268 7.678 1.00 0.98 C ATOM 708 CG GLU A 44 -12.158 -4.231 6.353 1.00 1.18 C ATOM 709 CD GLU A 44 -13.632 -4.466 6.573 1.00 1.78 C ATOM 710 OE1 GLU A 44 -13.953 -5.327 7.416 1.00 2.87 O ATOM 711 OE2 GLU A 44 -14.435 -3.830 5.858 1.00 2.69 O ATOM 0 H GLU A 44 -9.808 -4.788 9.459 1.00 0.92 H new ATOM 0 HA GLU A 44 -9.638 -4.883 6.631 1.00 0.81 H new ATOM 0 HB2 GLU A 44 -11.639 -5.179 8.221 1.00 0.98 H new ATOM 0 HB3 GLU A 44 -11.696 -3.429 8.302 1.00 0.98 H new ATOM 0 HG2 GLU A 44 -12.009 -3.266 5.869 1.00 1.18 H new ATOM 0 HG3 GLU A 44 -11.763 -4.990 5.678 1.00 1.18 H new ATOM 718 N ALA A 45 -9.525 -1.847 7.975 1.00 0.72 N ATOM 719 CA ALA A 45 -9.128 -0.480 7.715 1.00 0.71 C ATOM 720 C ALA A 45 -7.653 -0.388 7.337 1.00 0.61 C ATOM 721 O ALA A 45 -7.263 0.416 6.496 1.00 0.60 O ATOM 722 CB ALA A 45 -9.427 0.397 8.930 1.00 0.89 C ATOM 0 H ALA A 45 -9.901 -1.999 8.911 1.00 0.72 H new ATOM 0 HA ALA A 45 -9.708 -0.118 6.866 1.00 0.71 H new ATOM 0 HB1 ALA A 45 -9.124 1.423 8.722 1.00 0.89 H new ATOM 0 HB2 ALA A 45 -10.496 0.371 9.144 1.00 0.89 H new ATOM 0 HB3 ALA A 45 -8.875 0.024 9.793 1.00 0.89 H new ATOM 728 N LYS A 46 -6.831 -1.236 7.940 1.00 0.63 N ATOM 729 CA LYS A 46 -5.422 -1.298 7.660 1.00 0.59 C ATOM 730 C LYS A 46 -5.253 -1.789 6.229 1.00 0.52 C ATOM 731 O LYS A 46 -4.504 -1.217 5.445 1.00 0.53 O ATOM 732 CB LYS A 46 -4.731 -2.207 8.683 1.00 0.73 C ATOM 733 CG LYS A 46 -3.297 -1.724 8.888 1.00 0.77 C ATOM 734 CD LYS A 46 -2.646 -2.429 10.085 1.00 1.44 C ATOM 735 CE LYS A 46 -1.506 -1.551 10.614 1.00 2.27 C ATOM 736 NZ LYS A 46 -2.000 -0.457 11.475 1.00 2.60 N ATOM 0 H LYS A 46 -7.139 -1.905 8.646 1.00 0.63 H new ATOM 0 HA LYS A 46 -4.952 -0.318 7.748 1.00 0.59 H new ATOM 0 HB2 LYS A 46 -5.273 -2.190 9.629 1.00 0.73 H new ATOM 0 HB3 LYS A 46 -4.734 -3.239 8.332 1.00 0.73 H new ATOM 0 HG2 LYS A 46 -2.713 -1.914 7.988 1.00 0.77 H new ATOM 0 HG3 LYS A 46 -3.292 -0.646 9.049 1.00 0.77 H new ATOM 0 HD2 LYS A 46 -3.384 -2.602 10.868 1.00 1.44 H new ATOM 0 HD3 LYS A 46 -2.263 -3.405 9.786 1.00 1.44 H new ATOM 0 HE2 LYS A 46 -0.806 -2.168 11.178 1.00 2.27 H new ATOM 0 HE3 LYS A 46 -0.954 -1.129 9.774 1.00 2.27 H new ATOM 0 HZ1 LYS A 46 -1.317 0.327 11.466 1.00 2.60 H new ATOM 0 HZ2 LYS A 46 -2.917 -0.122 11.118 1.00 2.60 H new ATOM 0 HZ3 LYS A 46 -2.114 -0.806 12.448 1.00 2.60 H new ATOM 750 N PHE A 47 -5.994 -2.830 5.859 1.00 0.56 N ATOM 751 CA PHE A 47 -6.047 -3.239 4.475 1.00 0.57 C ATOM 752 C PHE A 47 -6.502 -2.071 3.602 1.00 0.54 C ATOM 753 O PHE A 47 -5.973 -1.910 2.515 1.00 0.61 O ATOM 754 CB PHE A 47 -6.926 -4.479 4.264 1.00 0.70 C ATOM 755 CG PHE A 47 -6.954 -4.966 2.824 1.00 0.85 C ATOM 756 CD1 PHE A 47 -5.748 -5.173 2.125 1.00 1.92 C ATOM 757 CD2 PHE A 47 -8.176 -5.019 2.126 1.00 2.18 C ATOM 758 CE1 PHE A 47 -5.763 -5.437 0.745 1.00 2.14 C ATOM 759 CE2 PHE A 47 -8.190 -5.285 0.746 1.00 2.46 C ATOM 760 CZ PHE A 47 -6.984 -5.486 0.055 1.00 1.72 C ATOM 0 H PHE A 47 -6.557 -3.394 6.496 1.00 0.56 H new ATOM 0 HA PHE A 47 -5.040 -3.528 4.174 1.00 0.57 H new ATOM 0 HB2 PHE A 47 -6.565 -5.284 4.904 1.00 0.70 H new ATOM 0 HB3 PHE A 47 -7.943 -4.251 4.582 1.00 0.70 H new ATOM 0 HD1 PHE A 47 -4.807 -5.128 2.653 1.00 1.92 H new ATOM 0 HD2 PHE A 47 -9.105 -4.855 2.652 1.00 2.18 H new ATOM 0 HE1 PHE A 47 -4.836 -5.602 0.216 1.00 2.14 H new ATOM 0 HE2 PHE A 47 -9.130 -5.335 0.216 1.00 2.46 H new ATOM 0 HZ PHE A 47 -6.996 -5.678 -1.008 1.00 1.72 H new ATOM 770 N LYS A 48 -7.443 -1.237 4.049 1.00 0.55 N ATOM 771 CA LYS A 48 -7.905 -0.114 3.248 1.00 0.65 C ATOM 772 C LYS A 48 -6.768 0.887 3.027 1.00 0.67 C ATOM 773 O LYS A 48 -6.579 1.360 1.904 1.00 0.80 O ATOM 774 CB LYS A 48 -9.141 0.575 3.840 1.00 0.79 C ATOM 775 CG LYS A 48 -10.343 -0.373 3.840 1.00 0.86 C ATOM 776 CD LYS A 48 -11.556 0.123 4.643 1.00 1.13 C ATOM 777 CE LYS A 48 -12.453 1.124 3.908 1.00 1.51 C ATOM 778 NZ LYS A 48 -11.754 2.367 3.530 1.00 2.80 N ATOM 0 H LYS A 48 -7.896 -1.322 4.959 1.00 0.55 H new ATOM 0 HA LYS A 48 -8.215 -0.517 2.284 1.00 0.65 H new ATOM 0 HB2 LYS A 48 -8.929 0.901 4.858 1.00 0.79 H new ATOM 0 HB3 LYS A 48 -9.377 1.469 3.262 1.00 0.79 H new ATOM 0 HG2 LYS A 48 -10.653 -0.544 2.809 1.00 0.86 H new ATOM 0 HG3 LYS A 48 -10.028 -1.336 4.242 1.00 0.86 H new ATOM 0 HD2 LYS A 48 -12.159 -0.738 4.932 1.00 1.13 H new ATOM 0 HD3 LYS A 48 -11.199 0.585 5.563 1.00 1.13 H new ATOM 0 HE2 LYS A 48 -12.852 0.652 3.010 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.304 1.373 4.542 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -12.415 3.168 3.586 1.00 2.80 H new ATOM 0 HZ2 LYS A 48 -10.958 2.529 4.180 1.00 2.80 H new ATOM 0 HZ3 LYS A 48 -11.395 2.281 2.558 1.00 2.80 H new ATOM 792 N GLU A 49 -6.027 1.259 4.075 1.00 0.62 N ATOM 793 CA GLU A 49 -4.946 2.212 3.927 1.00 0.70 C ATOM 794 C GLU A 49 -3.881 1.607 3.009 1.00 0.65 C ATOM 795 O GLU A 49 -3.453 2.242 2.050 1.00 0.75 O ATOM 796 CB GLU A 49 -4.476 2.741 5.295 1.00 0.90 C ATOM 797 CG GLU A 49 -3.528 1.843 6.089 1.00 1.51 C ATOM 798 CD GLU A 49 -2.991 2.511 7.344 1.00 1.53 C ATOM 799 OE1 GLU A 49 -2.714 3.730 7.314 1.00 2.09 O ATOM 800 OE2 GLU A 49 -2.869 1.808 8.370 1.00 2.20 O ATOM 0 H GLU A 49 -6.162 0.912 5.025 1.00 0.62 H new ATOM 0 HA GLU A 49 -5.273 3.123 3.426 1.00 0.70 H new ATOM 0 HB2 GLU A 49 -3.984 3.701 5.138 1.00 0.90 H new ATOM 0 HB3 GLU A 49 -5.357 2.931 5.907 1.00 0.90 H new ATOM 0 HG2 GLU A 49 -4.050 0.927 6.366 1.00 1.51 H new ATOM 0 HG3 GLU A 49 -2.692 1.553 5.452 1.00 1.51 H new ATOM 807 N ILE A 50 -3.529 0.342 3.236 1.00 0.56 N ATOM 808 CA ILE A 50 -2.590 -0.389 2.398 1.00 0.58 C ATOM 809 C ILE A 50 -3.107 -0.495 0.962 1.00 0.66 C ATOM 810 O ILE A 50 -2.310 -0.449 0.037 1.00 0.65 O ATOM 811 CB ILE A 50 -2.282 -1.770 3.004 1.00 0.55 C ATOM 812 CG1 ILE A 50 -1.608 -1.605 4.380 1.00 0.50 C ATOM 813 CG2 ILE A 50 -1.368 -2.588 2.069 1.00 0.74 C ATOM 814 CD1 ILE A 50 -1.736 -2.887 5.198 1.00 0.59 C ATOM 0 H ILE A 50 -3.893 -0.206 4.015 1.00 0.56 H new ATOM 0 HA ILE A 50 -1.653 0.167 2.361 1.00 0.58 H new ATOM 0 HB ILE A 50 -3.223 -2.307 3.125 1.00 0.55 H new ATOM 0 HG12 ILE A 50 -0.555 -1.355 4.248 1.00 0.50 H new ATOM 0 HG13 ILE A 50 -2.067 -0.776 4.919 1.00 0.50 H new ATOM 0 HG21 ILE A 50 -1.164 -3.560 2.518 1.00 0.74 H new ATOM 0 HG22 ILE A 50 -1.863 -2.729 1.108 1.00 0.74 H new ATOM 0 HG23 ILE A 50 -0.430 -2.054 1.919 1.00 0.74 H new ATOM 0 HD11 ILE A 50 -1.254 -2.751 6.166 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -2.790 -3.120 5.347 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -1.255 -3.708 4.666 1.00 0.59 H new ATOM 826 N LYS A 51 -4.409 -0.669 0.747 1.00 0.75 N ATOM 827 CA LYS A 51 -5.004 -0.841 -0.571 1.00 0.83 C ATOM 828 C LYS A 51 -4.884 0.467 -1.341 1.00 0.81 C ATOM 829 O LYS A 51 -4.498 0.452 -2.505 1.00 0.83 O ATOM 830 CB LYS A 51 -6.478 -1.257 -0.437 1.00 1.01 C ATOM 831 CG LYS A 51 -7.187 -1.528 -1.778 1.00 1.23 C ATOM 832 CD LYS A 51 -8.568 -0.851 -1.822 1.00 2.36 C ATOM 833 CE LYS A 51 -8.495 0.644 -2.157 1.00 3.56 C ATOM 834 NZ LYS A 51 -8.283 0.893 -3.598 1.00 3.49 N ATOM 0 H LYS A 51 -5.093 -0.695 1.503 1.00 0.75 H new ATOM 0 HA LYS A 51 -4.479 -1.628 -1.113 1.00 0.83 H new ATOM 0 HB2 LYS A 51 -6.535 -2.155 0.178 1.00 1.01 H new ATOM 0 HB3 LYS A 51 -7.018 -0.472 0.093 1.00 1.01 H new ATOM 0 HG2 LYS A 51 -6.572 -1.160 -2.599 1.00 1.23 H new ATOM 0 HG3 LYS A 51 -7.301 -2.602 -1.922 1.00 1.23 H new ATOM 0 HD2 LYS A 51 -9.189 -1.354 -2.564 1.00 2.36 H new ATOM 0 HD3 LYS A 51 -9.059 -0.977 -0.857 1.00 2.36 H new ATOM 0 HE2 LYS A 51 -9.418 1.129 -1.840 1.00 3.56 H new ATOM 0 HE3 LYS A 51 -7.684 1.101 -1.590 1.00 3.56 H new ATOM 0 HZ1 LYS A 51 -7.815 1.813 -3.726 1.00 3.49 H new ATOM 0 HZ2 LYS A 51 -7.684 0.141 -3.996 1.00 3.49 H new ATOM 0 HZ3 LYS A 51 -9.200 0.900 -4.088 1.00 3.49 H new ATOM 848 N GLU A 52 -5.273 1.586 -0.728 1.00 0.85 N ATOM 849 CA GLU A 52 -5.203 2.884 -1.388 1.00 0.90 C ATOM 850 C GLU A 52 -3.734 3.222 -1.625 1.00 0.81 C ATOM 851 O GLU A 52 -3.350 3.633 -2.718 1.00 0.82 O ATOM 852 CB GLU A 52 -5.945 3.940 -0.562 1.00 1.14 C ATOM 853 CG GLU A 52 -6.365 5.177 -1.380 1.00 1.37 C ATOM 854 CD GLU A 52 -5.302 6.254 -1.508 1.00 2.14 C ATOM 855 OE1 GLU A 52 -4.547 6.459 -0.538 1.00 3.12 O ATOM 856 OE2 GLU A 52 -5.343 6.975 -2.525 1.00 3.09 O ATOM 0 H GLU A 52 -5.639 1.616 0.224 1.00 0.85 H new ATOM 0 HA GLU A 52 -5.702 2.860 -2.357 1.00 0.90 H new ATOM 0 HB2 GLU A 52 -6.833 3.487 -0.121 1.00 1.14 H new ATOM 0 HB3 GLU A 52 -5.307 4.259 0.263 1.00 1.14 H new ATOM 0 HG2 GLU A 52 -6.653 4.852 -2.380 1.00 1.37 H new ATOM 0 HG3 GLU A 52 -7.251 5.615 -0.919 1.00 1.37 H new ATOM 863 N ALA A 53 -2.899 2.967 -0.618 1.00 0.81 N ATOM 864 CA ALA A 53 -1.473 3.169 -0.739 1.00 0.87 C ATOM 865 C ALA A 53 -0.928 2.389 -1.931 1.00 0.84 C ATOM 866 O ALA A 53 -0.315 2.947 -2.833 1.00 0.92 O ATOM 867 CB ALA A 53 -0.756 2.828 0.565 1.00 1.04 C ATOM 0 H ALA A 53 -3.198 2.618 0.293 1.00 0.81 H new ATOM 0 HA ALA A 53 -1.280 4.225 -0.928 1.00 0.87 H new ATOM 0 HB1 ALA A 53 0.315 2.989 0.444 1.00 1.04 H new ATOM 0 HB2 ALA A 53 -1.131 3.467 1.364 1.00 1.04 H new ATOM 0 HB3 ALA A 53 -0.939 1.784 0.819 1.00 1.04 H new ATOM 873 N TYR A 54 -1.193 1.090 -1.944 1.00 0.81 N ATOM 874 CA TYR A 54 -0.820 0.181 -3.005 1.00 0.91 C ATOM 875 C TYR A 54 -1.346 0.673 -4.349 1.00 0.91 C ATOM 876 O TYR A 54 -0.611 0.643 -5.329 1.00 1.13 O ATOM 877 CB TYR A 54 -1.359 -1.216 -2.686 1.00 0.98 C ATOM 878 CG TYR A 54 -1.322 -2.174 -3.852 1.00 0.93 C ATOM 879 CD1 TYR A 54 -0.096 -2.699 -4.290 1.00 1.89 C ATOM 880 CD2 TYR A 54 -2.509 -2.485 -4.540 1.00 1.95 C ATOM 881 CE1 TYR A 54 -0.068 -3.606 -5.360 1.00 1.98 C ATOM 882 CE2 TYR A 54 -2.472 -3.353 -5.641 1.00 2.08 C ATOM 883 CZ TYR A 54 -1.250 -3.908 -6.053 1.00 1.33 C ATOM 884 OH TYR A 54 -1.202 -4.741 -7.124 1.00 1.71 O ATOM 0 H TYR A 54 -1.693 0.628 -1.184 1.00 0.81 H new ATOM 0 HA TYR A 54 0.267 0.137 -3.074 1.00 0.91 H new ATOM 0 HB2 TYR A 54 -0.780 -1.638 -1.865 1.00 0.98 H new ATOM 0 HB3 TYR A 54 -2.388 -1.125 -2.337 1.00 0.98 H new ATOM 0 HD1 TYR A 54 0.823 -2.406 -3.805 1.00 1.89 H new ATOM 0 HD2 TYR A 54 -3.447 -2.056 -4.221 1.00 1.95 H new ATOM 0 HE1 TYR A 54 0.862 -4.071 -5.650 1.00 1.98 H new ATOM 0 HE2 TYR A 54 -3.382 -3.594 -6.171 1.00 2.08 H new ATOM 0 HH TYR A 54 -2.103 -4.851 -7.494 1.00 1.71 H new ATOM 894 N GLU A 55 -2.616 1.079 -4.431 1.00 0.80 N ATOM 895 CA GLU A 55 -3.234 1.565 -5.623 1.00 0.89 C ATOM 896 C GLU A 55 -2.388 2.720 -6.148 1.00 0.98 C ATOM 897 O GLU A 55 -1.987 2.680 -7.306 1.00 1.32 O ATOM 898 CB GLU A 55 -4.682 1.914 -5.263 1.00 0.97 C ATOM 899 CG GLU A 55 -5.210 3.008 -6.160 1.00 1.20 C ATOM 900 CD GLU A 55 -6.669 3.337 -5.955 1.00 1.59 C ATOM 901 OE1 GLU A 55 -7.268 2.837 -4.979 1.00 1.69 O ATOM 902 OE2 GLU A 55 -7.195 4.126 -6.763 1.00 2.77 O ATOM 0 H GLU A 55 -3.247 1.070 -3.629 1.00 0.80 H new ATOM 0 HA GLU A 55 -3.282 0.842 -6.437 1.00 0.89 H new ATOM 0 HB2 GLU A 55 -5.308 1.027 -5.357 1.00 0.97 H new ATOM 0 HB3 GLU A 55 -4.736 2.234 -4.222 1.00 0.97 H new ATOM 0 HG2 GLU A 55 -4.621 3.910 -5.996 1.00 1.20 H new ATOM 0 HG3 GLU A 55 -5.060 2.713 -7.198 1.00 1.20 H new ATOM 909 N VAL A 56 -2.098 3.705 -5.298 1.00 0.81 N ATOM 910 CA VAL A 56 -1.394 4.913 -5.691 1.00 0.88 C ATOM 911 C VAL A 56 -0.001 4.542 -6.153 1.00 0.96 C ATOM 912 O VAL A 56 0.437 5.005 -7.198 1.00 1.18 O ATOM 913 CB VAL A 56 -1.332 5.887 -4.505 1.00 0.85 C ATOM 914 CG1 VAL A 56 -0.193 6.913 -4.595 1.00 1.01 C ATOM 915 CG2 VAL A 56 -2.646 6.658 -4.443 1.00 1.04 C ATOM 0 H VAL A 56 -2.350 3.681 -4.310 1.00 0.81 H new ATOM 0 HA VAL A 56 -1.922 5.404 -6.509 1.00 0.88 H new ATOM 0 HB VAL A 56 -1.152 5.281 -3.617 1.00 0.85 H new ATOM 0 HG11 VAL A 56 -0.219 7.563 -3.720 1.00 1.01 H new ATOM 0 HG12 VAL A 56 0.764 6.392 -4.632 1.00 1.01 H new ATOM 0 HG13 VAL A 56 -0.315 7.513 -5.497 1.00 1.01 H new ATOM 0 HG21 VAL A 56 -2.620 7.355 -3.606 1.00 1.04 H new ATOM 0 HG22 VAL A 56 -2.787 7.211 -5.371 1.00 1.04 H new ATOM 0 HG23 VAL A 56 -3.472 5.959 -4.308 1.00 1.04 H new ATOM 925 N LEU A 57 0.701 3.726 -5.379 1.00 0.97 N ATOM 926 CA LEU A 57 2.045 3.330 -5.730 1.00 1.16 C ATOM 927 C LEU A 57 2.038 2.625 -7.092 1.00 1.27 C ATOM 928 O LEU A 57 2.708 3.050 -8.029 1.00 1.92 O ATOM 929 CB LEU A 57 2.684 2.586 -4.561 1.00 1.19 C ATOM 930 CG LEU A 57 2.889 3.514 -3.347 1.00 1.15 C ATOM 931 CD1 LEU A 57 3.609 2.735 -2.248 1.00 1.29 C ATOM 932 CD2 LEU A 57 3.703 4.772 -3.688 1.00 1.25 C ATOM 0 H LEU A 57 0.356 3.329 -4.505 1.00 0.97 H new ATOM 0 HA LEU A 57 2.702 4.186 -5.884 1.00 1.16 H new ATOM 0 HB2 LEU A 57 2.053 1.745 -4.275 1.00 1.19 H new ATOM 0 HB3 LEU A 57 3.644 2.173 -4.872 1.00 1.19 H new ATOM 0 HG LEU A 57 1.904 3.847 -3.018 1.00 1.15 H new ATOM 0 HD11 LEU A 57 3.760 3.381 -1.383 1.00 1.29 H new ATOM 0 HD12 LEU A 57 3.006 1.875 -1.957 1.00 1.29 H new ATOM 0 HD13 LEU A 57 4.575 2.393 -2.618 1.00 1.29 H new ATOM 0 HD21 LEU A 57 3.815 5.386 -2.795 1.00 1.25 H new ATOM 0 HD22 LEU A 57 4.688 4.480 -4.053 1.00 1.25 H new ATOM 0 HD23 LEU A 57 3.185 5.343 -4.459 1.00 1.25 H new ATOM 944 N THR A 58 1.150 1.659 -7.298 1.00 1.45 N ATOM 945 CA THR A 58 1.052 1.023 -8.600 1.00 1.50 C ATOM 946 C THR A 58 0.250 1.861 -9.614 1.00 1.81 C ATOM 947 O THR A 58 -0.160 1.313 -10.644 1.00 2.01 O ATOM 948 CB THR A 58 0.538 -0.415 -8.430 1.00 1.78 C ATOM 949 OG1 THR A 58 -0.752 -0.453 -7.852 1.00 2.30 O ATOM 950 CG2 THR A 58 1.488 -1.221 -7.536 1.00 1.81 C ATOM 0 H THR A 58 0.501 1.307 -6.594 1.00 1.45 H new ATOM 0 HA THR A 58 2.047 0.965 -9.041 1.00 1.50 H new ATOM 0 HB THR A 58 0.491 -0.849 -9.429 1.00 1.78 H new ATOM 0 HG1 THR A 58 -0.701 -0.157 -6.919 1.00 2.30 H new ATOM 0 HG21 THR A 58 1.109 -2.237 -7.426 1.00 1.81 H new ATOM 0 HG22 THR A 58 2.478 -1.250 -7.990 1.00 1.81 H new ATOM 0 HG23 THR A 58 1.553 -0.749 -6.555 1.00 1.81 H new ATOM 958 N ASP A 59 0.022 3.163 -9.373 1.00 2.13 N ATOM 959 CA ASP A 59 -0.698 4.052 -10.291 1.00 2.66 C ATOM 960 C ASP A 59 0.297 4.734 -11.228 1.00 2.14 C ATOM 961 O ASP A 59 1.489 4.432 -11.211 1.00 2.57 O ATOM 962 CB ASP A 59 -1.547 5.086 -9.519 1.00 3.87 C ATOM 963 CG ASP A 59 -2.729 5.624 -10.295 1.00 4.57 C ATOM 964 OD1 ASP A 59 -2.537 6.567 -11.088 1.00 4.77 O ATOM 965 OD2 ASP A 59 -3.860 5.135 -10.078 1.00 5.49 O ATOM 0 H ASP A 59 0.338 3.631 -8.523 1.00 2.13 H new ATOM 0 HA ASP A 59 -1.389 3.457 -10.888 1.00 2.66 H new ATOM 0 HB2 ASP A 59 -1.910 4.627 -8.599 1.00 3.87 H new ATOM 0 HB3 ASP A 59 -0.908 5.920 -9.229 1.00 3.87 H new ATOM 970 N SER A 60 -0.187 5.663 -12.044 1.00 2.51 N ATOM 971 CA SER A 60 0.598 6.535 -12.886 1.00 3.06 C ATOM 972 C SER A 60 0.525 7.931 -12.264 1.00 2.74 C ATOM 973 O SER A 60 1.477 8.349 -11.609 1.00 3.01 O ATOM 974 CB SER A 60 0.066 6.450 -14.322 1.00 4.24 C ATOM 975 OG SER A 60 0.735 7.355 -15.173 1.00 5.43 O ATOM 0 H SER A 60 -1.189 5.831 -12.135 1.00 2.51 H new ATOM 0 HA SER A 60 1.649 6.251 -12.946 1.00 3.06 H new ATOM 0 HB2 SER A 60 0.190 5.435 -14.698 1.00 4.24 H new ATOM 0 HB3 SER A 60 -1.003 6.664 -14.329 1.00 4.24 H new ATOM 0 HG SER A 60 0.376 7.277 -16.081 1.00 5.43 H new ATOM 981 N GLN A 61 -0.586 8.654 -12.425 1.00 2.73 N ATOM 982 CA GLN A 61 -0.678 10.037 -11.994 1.00 2.83 C ATOM 983 C GLN A 61 -0.627 10.145 -10.470 1.00 2.27 C ATOM 984 O GLN A 61 0.079 10.986 -9.906 1.00 2.44 O ATOM 985 CB GLN A 61 -1.972 10.655 -12.540 1.00 3.54 C ATOM 986 CG GLN A 61 -2.159 12.013 -11.866 1.00 3.82 C ATOM 987 CD GLN A 61 -3.321 12.811 -12.417 1.00 4.98 C ATOM 988 OE1 GLN A 61 -3.143 13.738 -13.202 1.00 5.65 O ATOM 989 NE2 GLN A 61 -4.523 12.477 -11.976 1.00 5.75 N ATOM 0 H GLN A 61 -1.438 8.294 -12.856 1.00 2.73 H new ATOM 0 HA GLN A 61 0.177 10.586 -12.388 1.00 2.83 H new ATOM 0 HB2 GLN A 61 -1.914 10.770 -13.622 1.00 3.54 H new ATOM 0 HB3 GLN A 61 -2.823 10.005 -12.334 1.00 3.54 H new ATOM 0 HG2 GLN A 61 -2.309 11.861 -10.797 1.00 3.82 H new ATOM 0 HG3 GLN A 61 -1.244 12.594 -11.980 1.00 3.82 H new ATOM 0 HE21 GLN A 61 -4.629 11.700 -11.324 1.00 5.75 H new ATOM 0 HE22 GLN A 61 -5.343 12.997 -12.288 1.00 5.75 H new ATOM 998 N LYS A 62 -1.461 9.352 -9.803 1.00 2.07 N ATOM 999 CA LYS A 62 -1.565 9.368 -8.351 1.00 1.86 C ATOM 1000 C LYS A 62 -0.181 9.162 -7.728 1.00 1.41 C ATOM 1001 O LYS A 62 0.189 9.802 -6.742 1.00 1.77 O ATOM 1002 CB LYS A 62 -2.542 8.265 -7.924 1.00 2.29 C ATOM 1003 CG LYS A 62 -3.799 8.808 -7.238 1.00 2.67 C ATOM 1004 CD LYS A 62 -4.787 7.668 -6.935 1.00 2.86 C ATOM 1005 CE LYS A 62 -5.871 7.491 -8.004 1.00 3.70 C ATOM 1006 NZ LYS A 62 -5.355 7.269 -9.369 1.00 4.72 N ATOM 0 H LYS A 62 -2.082 8.681 -10.255 1.00 2.07 H new ATOM 0 HA LYS A 62 -1.941 10.330 -8.003 1.00 1.86 H new ATOM 0 HB2 LYS A 62 -2.835 7.688 -8.801 1.00 2.29 H new ATOM 0 HB3 LYS A 62 -2.033 7.579 -7.246 1.00 2.29 H new ATOM 0 HG2 LYS A 62 -3.525 9.314 -6.312 1.00 2.67 H new ATOM 0 HG3 LYS A 62 -4.277 9.550 -7.878 1.00 2.67 H new ATOM 0 HD2 LYS A 62 -4.232 6.735 -6.835 1.00 2.86 H new ATOM 0 HD3 LYS A 62 -5.265 7.859 -5.974 1.00 2.86 H new ATOM 0 HE2 LYS A 62 -6.503 6.647 -7.726 1.00 3.70 H new ATOM 0 HE3 LYS A 62 -6.506 8.377 -8.009 1.00 3.70 H new ATOM 0 HZ1 LYS A 62 -6.150 7.227 -10.038 1.00 4.72 H new ATOM 0 HZ2 LYS A 62 -4.722 8.051 -9.632 1.00 4.72 H new ATOM 0 HZ3 LYS A 62 -4.829 6.372 -9.400 1.00 4.72 H new ATOM 1020 N ARG A 63 0.571 8.259 -8.348 1.00 1.40 N ATOM 1021 CA ARG A 63 1.923 7.885 -7.978 1.00 1.45 C ATOM 1022 C ARG A 63 2.823 9.095 -8.184 1.00 1.35 C ATOM 1023 O ARG A 63 3.527 9.538 -7.274 1.00 1.91 O ATOM 1024 CB ARG A 63 2.339 6.736 -8.899 1.00 1.98 C ATOM 1025 CG ARG A 63 3.428 5.814 -8.367 1.00 2.53 C ATOM 1026 CD ARG A 63 4.818 6.360 -8.054 1.00 2.51 C ATOM 1027 NE ARG A 63 5.658 5.238 -7.586 1.00 3.16 N ATOM 1028 CZ ARG A 63 6.992 5.159 -7.657 1.00 3.74 C ATOM 1029 NH1 ARG A 63 7.696 6.157 -8.191 1.00 4.22 N ATOM 1030 NH2 ARG A 63 7.616 4.082 -7.188 1.00 4.57 N ATOM 0 H ARG A 63 0.233 7.745 -9.162 1.00 1.40 H new ATOM 0 HA ARG A 63 1.995 7.568 -6.937 1.00 1.45 H new ATOM 0 HB2 ARG A 63 1.457 6.135 -9.118 1.00 1.98 H new ATOM 0 HB3 ARG A 63 2.679 7.159 -9.844 1.00 1.98 H new ATOM 0 HG2 ARG A 63 3.047 5.360 -7.452 1.00 2.53 H new ATOM 0 HG3 ARG A 63 3.553 5.011 -9.093 1.00 2.53 H new ATOM 0 HD2 ARG A 63 5.255 6.819 -8.941 1.00 2.51 H new ATOM 0 HD3 ARG A 63 4.759 7.136 -7.290 1.00 2.51 H new ATOM 0 HE ARG A 63 5.173 4.445 -7.167 1.00 3.16 H new ATOM 0 HH11 ARG A 63 7.218 6.985 -8.547 1.00 4.22 H new ATOM 0 HH12 ARG A 63 8.713 6.093 -8.243 1.00 4.22 H new ATOM 0 HH21 ARG A 63 7.078 3.320 -6.776 1.00 4.57 H new ATOM 0 HH22 ARG A 63 8.633 4.018 -7.240 1.00 4.57 H new ATOM 1044 N ALA A 64 2.762 9.628 -9.406 1.00 1.60 N ATOM 1045 CA ALA A 64 3.550 10.752 -9.861 1.00 1.70 C ATOM 1046 C ALA A 64 3.375 11.950 -8.946 1.00 1.34 C ATOM 1047 O ALA A 64 4.303 12.740 -8.854 1.00 1.41 O ATOM 1048 CB ALA A 64 3.174 11.117 -11.301 1.00 2.29 C ATOM 0 H ALA A 64 2.135 9.268 -10.126 1.00 1.60 H new ATOM 0 HA ALA A 64 4.600 10.462 -9.835 1.00 1.70 H new ATOM 0 HB1 ALA A 64 3.775 11.965 -11.630 1.00 2.29 H new ATOM 0 HB2 ALA A 64 3.361 10.264 -11.953 1.00 2.29 H new ATOM 0 HB3 ALA A 64 2.118 11.382 -11.345 1.00 2.29 H new ATOM 1054 N ALA A 65 2.247 12.088 -8.240 1.00 1.46 N ATOM 1055 CA ALA A 65 1.947 13.288 -7.466 1.00 1.68 C ATOM 1056 C ALA A 65 3.077 13.622 -6.498 1.00 1.61 C ATOM 1057 O ALA A 65 3.410 14.790 -6.303 1.00 1.67 O ATOM 1058 CB ALA A 65 0.692 13.071 -6.619 1.00 2.51 C ATOM 0 H ALA A 65 1.522 11.372 -8.192 1.00 1.46 H new ATOM 0 HA ALA A 65 1.810 14.099 -8.182 1.00 1.68 H new ATOM 0 HB1 ALA A 65 0.479 13.974 -6.046 1.00 2.51 H new ATOM 0 HB2 ALA A 65 -0.153 12.847 -7.271 1.00 2.51 H new ATOM 0 HB3 ALA A 65 0.854 12.237 -5.936 1.00 2.51 H new ATOM 1064 N TYR A 66 3.660 12.597 -5.882 1.00 1.98 N ATOM 1065 CA TYR A 66 4.768 12.794 -4.971 1.00 2.61 C ATOM 1066 C TYR A 66 5.946 13.398 -5.729 1.00 2.62 C ATOM 1067 O TYR A 66 6.481 14.433 -5.343 1.00 3.04 O ATOM 1068 CB TYR A 66 5.150 11.445 -4.350 1.00 3.26 C ATOM 1069 CG TYR A 66 6.254 11.538 -3.321 1.00 4.41 C ATOM 1070 CD1 TYR A 66 5.929 11.910 -2.008 1.00 4.84 C ATOM 1071 CD2 TYR A 66 7.603 11.374 -3.691 1.00 5.49 C ATOM 1072 CE1 TYR A 66 6.946 12.217 -1.092 1.00 5.93 C ATOM 1073 CE2 TYR A 66 8.621 11.658 -2.765 1.00 6.58 C ATOM 1074 CZ TYR A 66 8.292 12.143 -1.491 1.00 6.66 C ATOM 1075 OH TYR A 66 9.252 12.711 -0.710 1.00 7.78 O ATOM 0 H TYR A 66 3.379 11.624 -6.002 1.00 1.98 H new ATOM 0 HA TYR A 66 4.485 13.480 -4.173 1.00 2.61 H new ATOM 0 HB2 TYR A 66 4.267 11.007 -3.884 1.00 3.26 H new ATOM 0 HB3 TYR A 66 5.462 10.766 -5.143 1.00 3.26 H new ATOM 0 HD1 TYR A 66 4.894 11.960 -1.702 1.00 4.84 H new ATOM 0 HD2 TYR A 66 7.854 11.031 -4.684 1.00 5.49 H new ATOM 0 HE1 TYR A 66 6.696 12.509 -0.083 1.00 5.93 H new ATOM 0 HE2 TYR A 66 9.655 11.503 -3.034 1.00 6.58 H new ATOM 0 HH TYR A 66 10.131 12.574 -1.121 1.00 7.78 H new