USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 852 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= 0.031 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= -0.138 (180deg=-0.196) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.311 K(o=0.31,f=-4.3!) USER MOD Single : A 20 THR OG1 : rot -96:sc= 1.39 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -150:sc= -5.7! (180deg=-9.38!) USER MOD Single : A 36 TYR OH : rot -173:sc= -1.28 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= 0.925 (180deg=0.791) USER MOD Single : A 40 SER OG : rot 180:sc= -1.43 USER MOD Single : A 42 ASN : amide:sc= -0.676 K(o=-0.68,f=-1.8) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -132:sc= -0.125 (180deg=-0.629) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -170:sc= -2.73! USER MOD Single : A 54 THR OG1 : rot 39:sc= -2.71! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 140:sc= -2.14! USER MOD Single : A 59 CYS SG : rot 150:sc= -4.25! USER MOD Single : A 60 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.31!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -160:sc= -0.0515 (180deg=-0.622) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 178:sc= -1.99! USER MOD Single : A 74 THR OG1 : rot -63:sc= 0.733 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HE2:sc= -0.405 K(o=-0.4,f=-1.4) USER MOD Single : A 82 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.64) USER MOD Single : A 97 ASN : amide:sc= -1.89! C(o=-1.9!,f=-5.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 8:sc= -0.348 USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -9.540 7.741 2.519 1.00 0.00 N ATOM 72 CA ARG A 5 -8.232 7.103 2.831 1.00 0.00 C ATOM 73 C ARG A 5 -8.279 6.507 4.241 1.00 0.00 C ATOM 74 O ARG A 5 -8.990 6.984 5.103 1.00 0.00 O ATOM 75 CB ARG A 5 -7.123 8.155 2.754 1.00 0.00 C ATOM 76 CG ARG A 5 -5.761 7.471 2.847 1.00 0.00 C ATOM 77 CD ARG A 5 -4.969 8.077 4.007 1.00 0.00 C ATOM 78 NE ARG A 5 -4.513 9.446 3.635 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.359 10.441 3.644 1.00 0.00 C ATOM 80 NH1 ARG A 5 -6.052 10.717 2.573 1.00 0.00 N ATOM 81 NH2 ARG A 5 -5.511 11.160 4.722 1.00 0.00 N ATOM 0 HA ARG A 5 -8.030 6.310 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -7.199 8.711 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -7.235 8.876 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.889 6.399 3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.214 7.597 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.589 8.119 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.111 7.448 4.243 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.540 9.606 3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.933 10.156 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.713 11.494 2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.969 10.945 5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.172 11.937 4.728 1.00 0.00 H new ATOM 95 N ILE A 6 -7.531 5.463 4.483 1.00 0.00 N ATOM 96 CA ILE A 6 -7.541 4.837 5.835 1.00 0.00 C ATOM 97 C ILE A 6 -6.183 5.044 6.512 1.00 0.00 C ATOM 98 O ILE A 6 -6.087 5.661 7.555 1.00 0.00 O ATOM 99 CB ILE A 6 -7.823 3.337 5.697 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.308 3.127 5.390 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.471 2.618 7.002 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.650 1.641 5.521 1.00 0.00 C ATOM 0 H ILE A 6 -6.915 5.018 3.803 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.318 5.301 6.443 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.216 2.931 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.919 3.714 6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.535 3.476 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.674 1.552 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.414 2.766 7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.074 3.023 7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.707 1.490 5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.049 1.066 4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.438 1.307 6.537 1.00 0.00 H new ATOM 114 N ARG A 7 -5.133 4.527 5.935 1.00 0.00 N ATOM 115 CA ARG A 7 -3.787 4.689 6.556 1.00 0.00 C ATOM 116 C ARG A 7 -2.902 5.562 5.665 1.00 0.00 C ATOM 117 O ARG A 7 -3.090 5.639 4.468 1.00 0.00 O ATOM 118 CB ARG A 7 -3.141 3.316 6.719 1.00 0.00 C ATOM 119 CG ARG A 7 -3.124 2.942 8.200 1.00 0.00 C ATOM 120 CD ARG A 7 -1.769 3.318 8.793 1.00 0.00 C ATOM 121 NE ARG A 7 -1.883 4.617 9.515 1.00 0.00 N ATOM 122 CZ ARG A 7 -0.808 5.268 9.866 1.00 0.00 C ATOM 123 NH1 ARG A 7 0.365 4.704 9.753 1.00 0.00 N ATOM 124 NH2 ARG A 7 -0.905 6.483 10.331 1.00 0.00 N ATOM 0 H ARG A 7 -5.148 4.000 5.062 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.895 5.167 7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.695 2.570 6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.125 3.329 6.323 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.923 3.462 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.304 1.874 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.431 2.539 9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.023 3.394 8.002 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.803 4.998 9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.441 3.754 9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.205 5.214 10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.821 6.923 10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.065 6.993 10.606 1.00 0.00 H new ATOM 138 N GLU A 8 -1.932 6.213 6.244 1.00 0.00 N ATOM 139 CA GLU A 8 -1.021 7.074 5.438 1.00 0.00 C ATOM 140 C GLU A 8 0.199 7.438 6.283 1.00 0.00 C ATOM 141 O GLU A 8 0.080 7.873 7.410 1.00 0.00 O ATOM 142 CB GLU A 8 -1.743 8.352 5.012 1.00 0.00 C ATOM 143 CG GLU A 8 -2.614 8.863 6.160 1.00 0.00 C ATOM 144 CD GLU A 8 -2.316 10.342 6.407 1.00 0.00 C ATOM 145 OE1 GLU A 8 -2.845 11.162 5.674 1.00 0.00 O ATOM 146 OE2 GLU A 8 -1.564 10.632 7.323 1.00 0.00 O ATOM 0 H GLU A 8 -1.730 6.186 7.243 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.709 6.531 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.017 9.113 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.360 8.157 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.668 8.729 5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.418 8.286 7.064 1.00 0.00 H new ATOM 153 N GLY A 9 1.372 7.260 5.747 1.00 0.00 N ATOM 154 CA GLY A 9 2.600 7.591 6.509 1.00 0.00 C ATOM 155 C GLY A 9 3.744 7.810 5.525 1.00 0.00 C ATOM 156 O GLY A 9 3.542 8.255 4.416 1.00 0.00 O ATOM 0 H GLY A 9 1.531 6.897 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.442 8.487 7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.845 6.784 7.199 1.00 0.00 H new ATOM 160 N TYR A 10 4.942 7.505 5.917 1.00 0.00 N ATOM 161 CA TYR A 10 6.092 7.706 4.992 1.00 0.00 C ATOM 162 C TYR A 10 7.032 6.496 5.028 1.00 0.00 C ATOM 163 O TYR A 10 7.972 6.454 5.797 1.00 0.00 O ATOM 164 CB TYR A 10 6.864 8.960 5.410 1.00 0.00 C ATOM 165 CG TYR A 10 7.100 8.932 6.900 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.102 9.377 7.777 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.318 8.460 7.408 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.321 9.351 9.160 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.538 8.434 8.791 1.00 0.00 C ATOM 170 CZ TYR A 10 7.539 8.878 9.668 1.00 0.00 C ATOM 171 OH TYR A 10 7.756 8.852 11.030 1.00 0.00 O ATOM 0 H TYR A 10 5.179 7.126 6.834 1.00 0.00 H new ATOM 0 HA TYR A 10 5.710 7.822 3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.816 9.007 4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.303 9.854 5.137 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.163 9.740 7.386 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.087 8.116 6.733 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.552 9.695 9.835 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.477 8.072 9.182 1.00 0.00 H new ATOM 0 HH TYR A 10 8.650 8.495 11.212 1.00 0.00 H new ATOM 181 N LEU A 11 6.803 5.521 4.186 1.00 0.00 N ATOM 182 CA LEU A 11 7.703 4.331 4.163 1.00 0.00 C ATOM 183 C LEU A 11 8.490 4.334 2.849 1.00 0.00 C ATOM 184 O LEU A 11 8.094 4.953 1.882 1.00 0.00 O ATOM 185 CB LEU A 11 6.888 3.034 4.259 1.00 0.00 C ATOM 186 CG LEU A 11 5.655 3.222 5.156 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.981 4.151 6.326 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.515 3.809 4.325 1.00 0.00 C ATOM 0 H LEU A 11 6.034 5.498 3.516 1.00 0.00 H new ATOM 0 HA LEU A 11 8.381 4.381 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.573 2.724 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.514 2.236 4.658 1.00 0.00 H new ATOM 0 HG LEU A 11 5.355 2.255 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.096 4.273 6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.788 3.720 6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.292 5.123 5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.637 3.945 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.821 4.772 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.273 3.129 3.508 1.00 0.00 H new ATOM 200 N VAL A 12 9.601 3.649 2.803 1.00 0.00 N ATOM 201 CA VAL A 12 10.407 3.622 1.550 1.00 0.00 C ATOM 202 C VAL A 12 9.850 2.558 0.602 1.00 0.00 C ATOM 203 O VAL A 12 9.589 1.438 0.991 1.00 0.00 O ATOM 204 CB VAL A 12 11.868 3.307 1.891 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.922 2.176 2.918 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.617 2.879 0.625 1.00 0.00 C ATOM 0 H VAL A 12 9.984 3.108 3.578 1.00 0.00 H new ATOM 0 HA VAL A 12 10.354 4.595 1.061 1.00 0.00 H new ATOM 0 HB VAL A 12 12.338 4.199 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.961 1.953 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.397 2.481 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.447 1.286 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.655 2.657 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.146 1.990 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.584 3.686 -0.107 1.00 0.00 H new ATOM 216 N LYS A 13 9.672 2.904 -0.645 1.00 0.00 N ATOM 217 CA LYS A 13 9.136 1.917 -1.626 1.00 0.00 C ATOM 218 C LYS A 13 10.166 1.698 -2.735 1.00 0.00 C ATOM 219 O LYS A 13 11.017 2.529 -2.978 1.00 0.00 O ATOM 220 CB LYS A 13 7.836 2.450 -2.234 1.00 0.00 C ATOM 221 CG LYS A 13 7.062 1.295 -2.875 1.00 0.00 C ATOM 222 CD LYS A 13 5.588 1.684 -3.020 1.00 0.00 C ATOM 223 CE LYS A 13 4.707 0.480 -2.678 1.00 0.00 C ATOM 224 NZ LYS A 13 3.812 0.828 -1.536 1.00 0.00 N ATOM 0 H LYS A 13 9.875 3.828 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 13 8.936 0.973 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.229 2.925 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.057 3.213 -2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.484 1.058 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.154 0.398 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.354 2.519 -2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.387 2.018 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.113 0.192 -3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.328 -0.377 -2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.022 0.153 -1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.350 0.784 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.439 1.790 -1.668 1.00 0.00 H new ATOM 238 N LYS A 14 10.097 0.584 -3.410 1.00 0.00 N ATOM 239 CA LYS A 14 11.073 0.314 -4.502 1.00 0.00 C ATOM 240 C LYS A 14 10.423 0.612 -5.854 1.00 0.00 C ATOM 241 O LYS A 14 9.693 -0.195 -6.394 1.00 0.00 O ATOM 242 CB LYS A 14 11.497 -1.156 -4.451 1.00 0.00 C ATOM 243 CG LYS A 14 12.837 -1.326 -5.171 1.00 0.00 C ATOM 244 CD LYS A 14 12.594 -1.511 -6.669 1.00 0.00 C ATOM 245 CE LYS A 14 13.477 -2.646 -7.193 1.00 0.00 C ATOM 246 NZ LYS A 14 13.766 -2.424 -8.639 1.00 0.00 N ATOM 0 H LYS A 14 9.407 -0.151 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 14 11.948 0.951 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.584 -1.485 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.738 -1.781 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.467 -0.453 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.370 -2.188 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.544 -1.739 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.818 -0.587 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.408 -2.688 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.976 -3.604 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.472 -3.116 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.891 -2.539 -9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.136 -1.462 -8.775 1.00 0.00 H new ATOM 260 N GLY A 15 10.681 1.767 -6.406 1.00 0.00 N ATOM 261 CA GLY A 15 10.076 2.115 -7.722 1.00 0.00 C ATOM 262 C GLY A 15 10.409 3.568 -8.071 1.00 0.00 C ATOM 263 O GLY A 15 9.602 4.459 -7.892 1.00 0.00 O ATOM 0 H GLY A 15 11.284 2.484 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.456 1.448 -8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.995 1.978 -7.685 1.00 0.00 H new ATOM 267 N SER A 16 11.590 3.813 -8.568 1.00 0.00 N ATOM 268 CA SER A 16 11.972 5.207 -8.928 1.00 0.00 C ATOM 269 C SER A 16 13.002 5.177 -10.060 1.00 0.00 C ATOM 270 O SER A 16 12.937 5.956 -10.991 1.00 0.00 O ATOM 271 CB SER A 16 12.577 5.901 -7.707 1.00 0.00 C ATOM 272 OG SER A 16 12.227 7.279 -7.728 1.00 0.00 O ATOM 0 H SER A 16 12.307 3.108 -8.740 1.00 0.00 H new ATOM 0 HA SER A 16 11.088 5.753 -9.255 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.212 5.435 -6.792 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.661 5.789 -7.711 1.00 0.00 H new ATOM 0 HG SER A 16 12.612 7.726 -6.946 1.00 0.00 H new ATOM 278 N VAL A 17 13.951 4.285 -9.988 1.00 0.00 N ATOM 279 CA VAL A 17 14.984 4.204 -11.058 1.00 0.00 C ATOM 280 C VAL A 17 15.960 3.070 -10.737 1.00 0.00 C ATOM 281 O VAL A 17 16.787 3.183 -9.852 1.00 0.00 O ATOM 282 CB VAL A 17 15.747 5.527 -11.132 1.00 0.00 C ATOM 283 CG1 VAL A 17 16.453 5.787 -9.800 1.00 0.00 C ATOM 284 CG2 VAL A 17 16.787 5.452 -12.252 1.00 0.00 C ATOM 0 H VAL A 17 14.056 3.608 -9.233 1.00 0.00 H new ATOM 0 HA VAL A 17 14.501 4.010 -12.016 1.00 0.00 H new ATOM 0 HB VAL A 17 15.048 6.338 -11.336 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.996 6.730 -9.854 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.714 5.840 -9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.152 4.977 -9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.332 6.394 -12.306 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.485 4.640 -12.047 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.286 5.268 -13.202 1.00 0.00 H new ATOM 294 N PHE A 18 15.872 1.978 -11.445 1.00 0.00 N ATOM 295 CA PHE A 18 16.795 0.840 -11.177 1.00 0.00 C ATOM 296 C PHE A 18 16.666 0.414 -9.713 1.00 0.00 C ATOM 297 O PHE A 18 16.123 1.131 -8.897 1.00 0.00 O ATOM 298 CB PHE A 18 18.236 1.274 -11.455 1.00 0.00 C ATOM 299 CG PHE A 18 18.472 1.309 -12.946 1.00 0.00 C ATOM 300 CD1 PHE A 18 17.621 2.055 -13.772 1.00 0.00 C ATOM 301 CD2 PHE A 18 19.540 0.594 -13.503 1.00 0.00 C ATOM 302 CE1 PHE A 18 17.838 2.087 -15.155 1.00 0.00 C ATOM 303 CE2 PHE A 18 19.757 0.626 -14.888 1.00 0.00 C ATOM 304 CZ PHE A 18 18.907 1.372 -15.713 1.00 0.00 C ATOM 0 H PHE A 18 15.201 1.825 -12.198 1.00 0.00 H new ATOM 0 HA PHE A 18 16.536 0.003 -11.825 1.00 0.00 H new ATOM 0 HB2 PHE A 18 18.421 2.258 -11.024 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.933 0.583 -10.982 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.797 2.606 -13.342 1.00 0.00 H new ATOM 0 HD2 PHE A 18 20.196 0.019 -12.866 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.182 2.662 -15.792 1.00 0.00 H new ATOM 0 HE2 PHE A 18 20.580 0.075 -15.318 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.075 1.397 -16.780 1.00 0.00 H new ATOM 314 N ASN A 19 17.162 -0.748 -9.375 1.00 0.00 N ATOM 315 CA ASN A 19 17.069 -1.216 -7.962 1.00 0.00 C ATOM 316 C ASN A 19 17.404 -0.054 -7.027 1.00 0.00 C ATOM 317 O ASN A 19 18.545 0.341 -6.897 1.00 0.00 O ATOM 318 CB ASN A 19 18.061 -2.359 -7.735 1.00 0.00 C ATOM 319 CG ASN A 19 17.699 -3.540 -8.639 1.00 0.00 C ATOM 320 OD1 ASN A 19 17.617 -3.398 -9.842 1.00 0.00 O ATOM 321 ND2 ASN A 19 17.479 -4.710 -8.105 1.00 0.00 N ATOM 0 H ASN A 19 17.626 -1.391 -10.016 1.00 0.00 H new ATOM 0 HA ASN A 19 16.059 -1.571 -7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.075 -2.022 -7.949 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.042 -2.669 -6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.238 -5.504 -8.698 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.548 -4.830 -7.094 1.00 0.00 H new ATOM 328 N THR A 20 16.417 0.504 -6.380 1.00 0.00 N ATOM 329 CA THR A 20 16.684 1.647 -5.464 1.00 0.00 C ATOM 330 C THR A 20 15.677 1.635 -4.313 1.00 0.00 C ATOM 331 O THR A 20 14.537 1.251 -4.473 1.00 0.00 O ATOM 332 CB THR A 20 16.546 2.958 -6.239 1.00 0.00 C ATOM 333 OG1 THR A 20 15.512 2.828 -7.204 1.00 0.00 O ATOM 334 CG2 THR A 20 17.866 3.280 -6.941 1.00 0.00 C ATOM 0 H THR A 20 15.440 0.218 -6.446 1.00 0.00 H new ATOM 0 HA THR A 20 17.693 1.558 -5.062 1.00 0.00 H new ATOM 0 HB THR A 20 16.300 3.765 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.901 2.584 -8.070 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.766 4.215 -7.493 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.658 3.380 -6.199 1.00 0.00 H new ATOM 0 HG23 THR A 20 18.116 2.475 -7.632 1.00 0.00 H new ATOM 342 N TRP A 21 16.092 2.060 -3.152 1.00 0.00 N ATOM 343 CA TRP A 21 15.166 2.083 -1.987 1.00 0.00 C ATOM 344 C TRP A 21 15.169 3.484 -1.377 1.00 0.00 C ATOM 345 O TRP A 21 16.166 3.937 -0.852 1.00 0.00 O ATOM 346 CB TRP A 21 15.639 1.074 -0.941 1.00 0.00 C ATOM 347 CG TRP A 21 14.856 -0.192 -1.078 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.535 -0.790 -2.248 1.00 0.00 C ATOM 349 CD2 TRP A 21 14.295 -1.025 -0.024 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.810 -1.937 -1.980 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.637 -2.126 -0.623 1.00 0.00 C ATOM 352 CE3 TRP A 21 14.294 -0.932 1.380 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.999 -3.100 0.148 1.00 0.00 C ATOM 354 CZ3 TRP A 21 13.655 -1.910 2.158 1.00 0.00 C ATOM 355 CH2 TRP A 21 13.008 -2.991 1.543 1.00 0.00 C ATOM 0 H TRP A 21 17.037 2.394 -2.960 1.00 0.00 H new ATOM 0 HA TRP A 21 14.159 1.823 -2.312 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.702 0.872 -1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.512 1.486 0.060 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.801 -0.431 -3.231 1.00 0.00 H new ATOM 0 HE1 TRP A 21 13.448 -2.566 -2.697 1.00 0.00 H new ATOM 0 HE3 TRP A 21 14.789 -0.102 1.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.502 -3.932 -0.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 13.662 -1.829 3.235 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.516 -3.740 2.146 1.00 0.00 H new ATOM 366 N LYS A 22 14.069 4.184 -1.449 1.00 0.00 N ATOM 367 CA LYS A 22 14.036 5.559 -0.875 1.00 0.00 C ATOM 368 C LYS A 22 12.707 5.790 -0.137 1.00 0.00 C ATOM 369 O LYS A 22 11.656 5.442 -0.639 1.00 0.00 O ATOM 370 CB LYS A 22 14.167 6.583 -2.007 1.00 0.00 C ATOM 371 CG LYS A 22 15.250 6.133 -2.992 1.00 0.00 C ATOM 372 CD LYS A 22 16.623 6.566 -2.477 1.00 0.00 C ATOM 373 CE LYS A 22 17.469 7.079 -3.645 1.00 0.00 C ATOM 374 NZ LYS A 22 17.640 8.555 -3.525 1.00 0.00 N ATOM 0 H LYS A 22 13.199 3.866 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 22 14.862 5.672 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.214 6.690 -2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.419 7.561 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.220 5.050 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.065 6.567 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.511 7.347 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.123 5.727 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.442 6.588 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.988 6.834 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.215 8.904 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.708 9.015 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.117 8.777 -2.628 1.00 0.00 H new ATOM 388 N PRO A 23 12.792 6.382 1.034 1.00 0.00 N ATOM 389 CA PRO A 23 11.611 6.675 1.837 1.00 0.00 C ATOM 390 C PRO A 23 10.602 7.476 1.007 1.00 0.00 C ATOM 391 O PRO A 23 10.967 8.190 0.094 1.00 0.00 O ATOM 392 CB PRO A 23 12.132 7.522 2.995 1.00 0.00 C ATOM 393 CG PRO A 23 13.639 7.133 3.087 1.00 0.00 C ATOM 394 CD PRO A 23 14.073 6.790 1.635 1.00 0.00 C ATOM 0 HA PRO A 23 11.104 5.773 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.004 8.587 2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.604 7.301 3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.232 7.955 3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.784 6.281 3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.511 7.648 1.124 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.813 5.990 1.606 1.00 0.00 H new ATOM 402 N MET A 24 9.336 7.371 1.314 1.00 0.00 N ATOM 403 CA MET A 24 8.323 8.136 0.537 1.00 0.00 C ATOM 404 C MET A 24 7.004 8.187 1.310 1.00 0.00 C ATOM 405 O MET A 24 6.807 7.471 2.271 1.00 0.00 O ATOM 406 CB MET A 24 8.108 7.468 -0.830 1.00 0.00 C ATOM 407 CG MET A 24 7.042 6.367 -0.751 1.00 0.00 C ATOM 408 SD MET A 24 5.550 6.913 -1.619 1.00 0.00 S ATOM 409 CE MET A 24 5.887 6.081 -3.191 1.00 0.00 C ATOM 0 H MET A 24 8.963 6.791 2.066 1.00 0.00 H new ATOM 0 HA MET A 24 8.681 9.154 0.384 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.805 8.218 -1.560 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.048 7.042 -1.181 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.420 5.447 -1.197 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.810 6.144 0.290 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.445 6.652 -4.007 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.964 6.009 -3.341 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.455 5.080 -3.173 1.00 0.00 H new ATOM 419 N TRP A 25 6.097 9.016 0.880 1.00 0.00 N ATOM 420 CA TRP A 25 4.783 9.108 1.568 1.00 0.00 C ATOM 421 C TRP A 25 3.785 8.227 0.834 1.00 0.00 C ATOM 422 O TRP A 25 3.830 8.092 -0.372 1.00 0.00 O ATOM 423 CB TRP A 25 4.311 10.558 1.555 1.00 0.00 C ATOM 424 CG TRP A 25 2.971 10.664 2.206 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.790 10.698 1.549 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.655 10.754 3.625 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.770 10.827 2.476 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.251 10.855 3.769 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.444 10.760 4.791 1.00 0.00 C ATOM 430 CZ2 TRP A 25 0.650 10.962 5.026 1.00 0.00 C ATOM 431 CZ3 TRP A 25 2.846 10.862 6.056 1.00 0.00 C ATOM 432 CH2 TRP A 25 1.450 10.964 6.174 1.00 0.00 C ATOM 0 H TRP A 25 6.210 9.636 0.078 1.00 0.00 H new ATOM 0 HA TRP A 25 4.872 8.773 2.601 1.00 0.00 H new ATOM 0 HB2 TRP A 25 5.030 11.188 2.079 1.00 0.00 H new ATOM 0 HB3 TRP A 25 4.256 10.922 0.529 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.663 10.635 0.478 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.218 10.893 2.233 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.518 10.685 4.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.424 11.043 5.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.462 10.862 6.943 1.00 0.00 H new ATOM 0 HH2 TRP A 25 0.995 11.044 7.150 1.00 0.00 H new ATOM 443 N VAL A 26 2.903 7.599 1.551 1.00 0.00 N ATOM 444 CA VAL A 26 1.931 6.699 0.885 1.00 0.00 C ATOM 445 C VAL A 26 0.631 6.631 1.694 1.00 0.00 C ATOM 446 O VAL A 26 0.646 6.571 2.908 1.00 0.00 O ATOM 447 CB VAL A 26 2.575 5.315 0.779 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.404 5.036 2.030 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.500 4.231 0.626 1.00 0.00 C ATOM 0 H VAL A 26 2.813 7.669 2.565 1.00 0.00 H new ATOM 0 HA VAL A 26 1.681 7.073 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 26 3.219 5.298 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.861 4.050 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.184 5.791 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.759 5.068 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.977 3.254 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.840 4.248 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.918 4.420 -0.276 1.00 0.00 H new ATOM 459 N VAL A 27 -0.497 6.625 1.031 1.00 0.00 N ATOM 460 CA VAL A 27 -1.789 6.542 1.770 1.00 0.00 C ATOM 461 C VAL A 27 -2.613 5.372 1.232 1.00 0.00 C ATOM 462 O VAL A 27 -3.069 5.381 0.103 1.00 0.00 O ATOM 463 CB VAL A 27 -2.581 7.841 1.601 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.680 9.037 1.911 1.00 0.00 C ATOM 465 CG2 VAL A 27 -3.093 7.950 0.167 1.00 0.00 C ATOM 0 H VAL A 27 -0.578 6.674 0.015 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.579 6.388 2.829 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.427 7.836 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.246 9.960 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.319 8.965 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.831 9.040 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.656 8.876 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.248 7.950 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.741 7.101 -0.054 1.00 0.00 H new ATOM 475 N LEU A 28 -2.812 4.365 2.035 1.00 0.00 N ATOM 476 CA LEU A 28 -3.613 3.200 1.576 1.00 0.00 C ATOM 477 C LEU A 28 -5.092 3.487 1.822 1.00 0.00 C ATOM 478 O LEU A 28 -5.577 3.404 2.935 1.00 0.00 O ATOM 479 CB LEU A 28 -3.195 1.951 2.350 1.00 0.00 C ATOM 480 CG LEU A 28 -3.382 2.188 3.848 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.512 1.299 4.368 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.083 1.842 4.580 1.00 0.00 C ATOM 0 H LEU A 28 -2.455 4.299 2.988 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.443 3.032 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.791 1.096 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.153 1.711 2.137 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.634 3.234 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.645 1.468 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.436 1.542 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.261 0.253 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.212 2.010 5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.834 0.795 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.276 2.474 4.208 1.00 0.00 H new ATOM 494 N LEU A 29 -5.811 3.829 0.791 1.00 0.00 N ATOM 495 CA LEU A 29 -7.258 4.127 0.953 1.00 0.00 C ATOM 496 C LEU A 29 -8.062 2.833 0.777 1.00 0.00 C ATOM 497 O LEU A 29 -7.612 1.893 0.152 1.00 0.00 O ATOM 498 CB LEU A 29 -7.681 5.152 -0.099 1.00 0.00 C ATOM 499 CG LEU A 29 -6.668 6.303 -0.129 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.734 6.131 -1.327 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.417 7.632 -0.258 1.00 0.00 C ATOM 0 H LEU A 29 -5.456 3.915 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.446 4.534 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.739 4.679 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.676 5.535 0.130 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.084 6.298 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.014 6.949 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.203 5.183 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.318 6.138 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.700 8.453 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.999 7.634 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.086 7.757 0.593 1.00 0.00 H new ATOM 513 N GLU A 30 -9.238 2.773 1.337 1.00 0.00 N ATOM 514 CA GLU A 30 -10.064 1.538 1.221 1.00 0.00 C ATOM 515 C GLU A 30 -10.572 1.371 -0.213 1.00 0.00 C ATOM 516 O GLU A 30 -10.961 0.294 -0.619 1.00 0.00 O ATOM 517 CB GLU A 30 -11.257 1.637 2.173 1.00 0.00 C ATOM 518 CG GLU A 30 -11.683 0.234 2.602 1.00 0.00 C ATOM 519 CD GLU A 30 -12.420 0.310 3.940 1.00 0.00 C ATOM 520 OE1 GLU A 30 -12.945 1.368 4.245 1.00 0.00 O ATOM 521 OE2 GLU A 30 -12.447 -0.690 4.637 1.00 0.00 O ATOM 0 H GLU A 30 -9.665 3.529 1.872 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.451 0.675 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.990 2.231 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.086 2.147 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.329 -0.209 1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.809 -0.411 2.693 1.00 0.00 H new ATOM 528 N ASP A 31 -10.577 2.421 -0.983 1.00 0.00 N ATOM 529 CA ASP A 31 -11.069 2.304 -2.386 1.00 0.00 C ATOM 530 C ASP A 31 -9.883 2.326 -3.352 1.00 0.00 C ATOM 531 O ASP A 31 -10.051 2.328 -4.555 1.00 0.00 O ATOM 532 CB ASP A 31 -12.006 3.473 -2.697 1.00 0.00 C ATOM 533 CG ASP A 31 -13.459 3.012 -2.566 1.00 0.00 C ATOM 534 OD1 ASP A 31 -13.714 2.155 -1.736 1.00 0.00 O ATOM 535 OD2 ASP A 31 -14.291 3.522 -3.297 1.00 0.00 O ATOM 0 H ASP A 31 -10.264 3.351 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.609 1.365 -2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.813 4.300 -2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.820 3.843 -3.705 1.00 0.00 H new ATOM 540 N GLY A 32 -8.686 2.338 -2.837 1.00 0.00 N ATOM 541 CA GLY A 32 -7.492 2.355 -3.729 1.00 0.00 C ATOM 542 C GLY A 32 -6.261 2.759 -2.918 1.00 0.00 C ATOM 543 O GLY A 32 -6.342 3.006 -1.733 1.00 0.00 O ATOM 0 H GLY A 32 -8.482 2.337 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.342 1.371 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.647 3.055 -4.550 1.00 0.00 H new ATOM 547 N ILE A 33 -5.121 2.826 -3.546 1.00 0.00 N ATOM 548 CA ILE A 33 -3.887 3.210 -2.809 1.00 0.00 C ATOM 549 C ILE A 33 -3.076 4.192 -3.653 1.00 0.00 C ATOM 550 O ILE A 33 -2.652 3.879 -4.746 1.00 0.00 O ATOM 551 CB ILE A 33 -3.046 1.961 -2.535 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.960 0.822 -2.078 1.00 0.00 C ATOM 553 CG2 ILE A 33 -2.022 2.261 -1.438 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.609 1.192 -0.745 1.00 0.00 C ATOM 0 H ILE A 33 -4.991 2.631 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.160 3.679 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.525 1.669 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.728 0.634 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.386 -0.099 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.424 1.370 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.370 3.072 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.541 2.554 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.260 0.381 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.834 1.358 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.197 2.102 -0.867 1.00 0.00 H new ATOM 566 N GLU A 34 -2.855 5.375 -3.155 1.00 0.00 N ATOM 567 CA GLU A 34 -2.065 6.371 -3.933 1.00 0.00 C ATOM 568 C GLU A 34 -0.935 6.900 -3.054 1.00 0.00 C ATOM 569 O GLU A 34 -1.166 7.502 -2.025 1.00 0.00 O ATOM 570 CB GLU A 34 -2.971 7.528 -4.362 1.00 0.00 C ATOM 571 CG GLU A 34 -3.587 8.182 -3.125 1.00 0.00 C ATOM 572 CD GLU A 34 -5.038 8.567 -3.422 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.498 8.267 -4.511 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.663 9.155 -2.556 1.00 0.00 O ATOM 0 H GLU A 34 -3.186 5.696 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.650 5.898 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.397 8.263 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.757 7.162 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.547 7.495 -2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.015 9.066 -2.845 1.00 0.00 H new ATOM 581 N PHE A 35 0.289 6.672 -3.435 1.00 0.00 N ATOM 582 CA PHE A 35 1.414 7.158 -2.596 1.00 0.00 C ATOM 583 C PHE A 35 2.303 8.110 -3.398 1.00 0.00 C ATOM 584 O PHE A 35 2.471 7.969 -4.594 1.00 0.00 O ATOM 585 CB PHE A 35 2.225 5.963 -2.092 1.00 0.00 C ATOM 586 CG PHE A 35 2.506 5.002 -3.220 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.329 5.392 -4.281 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.953 3.714 -3.200 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.604 4.500 -5.323 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.225 2.819 -4.243 1.00 0.00 C ATOM 591 CZ PHE A 35 3.052 3.213 -5.305 1.00 0.00 C ATOM 0 H PHE A 35 0.557 6.174 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 35 1.016 7.705 -1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.163 6.309 -1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.678 5.453 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.754 6.385 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.317 3.412 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.241 4.804 -6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.798 1.827 -4.229 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.263 2.524 -6.109 1.00 0.00 H new ATOM 601 N TYR A 36 2.873 9.083 -2.740 1.00 0.00 N ATOM 602 CA TYR A 36 3.760 10.055 -3.438 1.00 0.00 C ATOM 603 C TYR A 36 4.872 10.469 -2.476 1.00 0.00 C ATOM 604 O TYR A 36 4.851 10.123 -1.313 1.00 0.00 O ATOM 605 CB TYR A 36 2.979 11.310 -3.867 1.00 0.00 C ATOM 606 CG TYR A 36 1.534 11.236 -3.422 1.00 0.00 C ATOM 607 CD1 TYR A 36 1.221 11.047 -2.070 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.507 11.373 -4.367 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.120 10.995 -1.663 1.00 0.00 C ATOM 610 CE2 TYR A 36 -0.832 11.319 -3.960 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.146 11.130 -2.609 1.00 0.00 C ATOM 612 OH TYR A 36 -2.465 11.079 -2.208 1.00 0.00 O ATOM 0 H TYR A 36 2.760 9.247 -1.740 1.00 0.00 H new ATOM 0 HA TYR A 36 4.169 9.582 -4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.448 12.197 -3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.023 11.416 -4.951 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.011 10.941 -1.342 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.749 11.520 -5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.363 10.851 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.622 11.423 -4.689 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.047 11.078 -2.997 1.00 0.00 H new ATOM 622 N LYS A 37 5.840 11.207 -2.940 1.00 0.00 N ATOM 623 CA LYS A 37 6.941 11.633 -2.032 1.00 0.00 C ATOM 624 C LYS A 37 6.360 12.478 -0.894 1.00 0.00 C ATOM 625 O LYS A 37 6.456 12.121 0.264 1.00 0.00 O ATOM 626 CB LYS A 37 7.960 12.459 -2.819 1.00 0.00 C ATOM 627 CG LYS A 37 9.317 11.754 -2.798 1.00 0.00 C ATOM 628 CD LYS A 37 10.391 12.730 -2.313 1.00 0.00 C ATOM 629 CE LYS A 37 10.925 12.267 -0.956 1.00 0.00 C ATOM 630 NZ LYS A 37 10.289 13.068 0.128 1.00 0.00 N ATOM 0 H LYS A 37 5.917 11.533 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 37 7.434 10.754 -1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.622 12.589 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.049 13.455 -2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.277 10.885 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.565 11.390 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.204 12.782 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.974 13.734 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.713 11.208 -0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.008 12.383 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.652 12.754 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.513 14.075 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.258 12.936 0.098 1.00 0.00 H new ATOM 644 N LYS A 38 5.750 13.591 -1.210 1.00 0.00 N ATOM 645 CA LYS A 38 5.158 14.443 -0.139 1.00 0.00 C ATOM 646 C LYS A 38 3.823 13.836 0.290 1.00 0.00 C ATOM 647 O LYS A 38 3.500 12.724 -0.074 1.00 0.00 O ATOM 648 CB LYS A 38 4.930 15.859 -0.674 1.00 0.00 C ATOM 649 CG LYS A 38 6.273 16.483 -1.058 1.00 0.00 C ATOM 650 CD LYS A 38 6.658 17.546 -0.027 1.00 0.00 C ATOM 651 CE LYS A 38 7.479 18.644 -0.707 1.00 0.00 C ATOM 652 NZ LYS A 38 8.117 19.503 0.330 1.00 0.00 N ATOM 0 H LYS A 38 5.637 13.945 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 38 5.836 14.490 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.270 15.830 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.436 16.470 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.043 15.713 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.207 16.931 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.762 17.973 0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.234 17.093 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.242 18.199 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.838 19.247 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.675 20.249 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.381 19.938 0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.742 18.922 0.925 1.00 0.00 H new ATOM 666 N LYS A 39 3.037 14.543 1.056 1.00 0.00 N ATOM 667 CA LYS A 39 1.739 13.978 1.487 1.00 0.00 C ATOM 668 C LYS A 39 0.725 14.067 0.346 1.00 0.00 C ATOM 669 O LYS A 39 -0.436 13.745 0.504 1.00 0.00 O ATOM 670 CB LYS A 39 1.243 14.745 2.703 1.00 0.00 C ATOM 671 CG LYS A 39 1.903 14.157 3.947 1.00 0.00 C ATOM 672 CD LYS A 39 1.115 14.565 5.188 1.00 0.00 C ATOM 673 CE LYS A 39 -0.345 14.166 4.999 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.841 13.490 6.231 1.00 0.00 N ATOM 0 H LYS A 39 3.241 15.482 1.398 1.00 0.00 H new ATOM 0 HA LYS A 39 1.864 12.928 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.487 15.803 2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.158 14.673 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.943 13.070 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.932 14.509 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.527 14.080 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.194 15.640 5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.949 15.048 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.443 13.500 4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.879 13.431 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.441 12.531 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.549 14.035 7.067 1.00 0.00 H new ATOM 688 N SER A 40 1.160 14.491 -0.807 1.00 0.00 N ATOM 689 CA SER A 40 0.237 14.591 -1.969 1.00 0.00 C ATOM 690 C SER A 40 1.058 14.742 -3.249 1.00 0.00 C ATOM 691 O SER A 40 0.775 14.127 -4.257 1.00 0.00 O ATOM 692 CB SER A 40 -0.670 15.812 -1.805 1.00 0.00 C ATOM 693 OG SER A 40 -0.872 16.065 -0.420 1.00 0.00 O ATOM 0 H SER A 40 2.122 14.774 -0.995 1.00 0.00 H new ATOM 0 HA SER A 40 -0.376 13.691 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.219 16.681 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.626 15.638 -2.298 1.00 0.00 H new ATOM 0 HG SER A 40 -1.452 16.848 -0.312 1.00 0.00 H new ATOM 699 N ASP A 41 2.074 15.566 -3.218 1.00 0.00 N ATOM 700 CA ASP A 41 2.913 15.768 -4.431 1.00 0.00 C ATOM 701 C ASP A 41 2.011 16.027 -5.640 1.00 0.00 C ATOM 702 O ASP A 41 2.422 15.888 -6.774 1.00 0.00 O ATOM 703 CB ASP A 41 3.753 14.512 -4.660 1.00 0.00 C ATOM 704 CG ASP A 41 4.476 14.603 -6.005 1.00 0.00 C ATOM 705 OD1 ASP A 41 4.784 15.710 -6.416 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.711 13.565 -6.601 1.00 0.00 O ATOM 0 H ASP A 41 2.357 16.108 -2.401 1.00 0.00 H new ATOM 0 HA ASP A 41 3.570 16.627 -4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.479 14.398 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.114 13.629 -4.640 1.00 0.00 H new ATOM 711 N ASN A 42 0.780 16.403 -5.405 1.00 0.00 N ATOM 712 CA ASN A 42 -0.160 16.662 -6.530 1.00 0.00 C ATOM 713 C ASN A 42 0.027 15.600 -7.622 1.00 0.00 C ATOM 714 O ASN A 42 -0.301 15.822 -8.771 1.00 0.00 O ATOM 715 CB ASN A 42 0.111 18.050 -7.116 1.00 0.00 C ATOM 716 CG ASN A 42 -0.949 18.376 -8.169 1.00 0.00 C ATOM 717 OD1 ASN A 42 -2.088 17.968 -8.047 1.00 0.00 O ATOM 718 ND2 ASN A 42 -0.623 19.097 -9.206 1.00 0.00 N ATOM 0 H ASN A 42 0.386 16.542 -4.475 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.183 16.617 -6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.095 18.800 -6.325 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.104 18.080 -7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.323 19.318 -9.914 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.332 19.440 -9.309 1.00 0.00 H new ATOM 725 N SER A 43 0.555 14.452 -7.279 1.00 0.00 N ATOM 726 CA SER A 43 0.763 13.396 -8.306 1.00 0.00 C ATOM 727 C SER A 43 1.437 12.174 -7.661 1.00 0.00 C ATOM 728 O SER A 43 2.580 12.250 -7.255 1.00 0.00 O ATOM 729 CB SER A 43 1.670 13.944 -9.401 1.00 0.00 C ATOM 730 OG SER A 43 1.459 13.211 -10.600 1.00 0.00 O ATOM 0 H SER A 43 0.849 14.204 -6.334 1.00 0.00 H new ATOM 0 HA SER A 43 -0.198 13.101 -8.727 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.461 15.001 -9.566 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.714 13.870 -9.095 1.00 0.00 H new ATOM 0 HG SER A 43 2.041 13.564 -11.306 1.00 0.00 H new ATOM 736 N PRO A 44 0.715 11.081 -7.589 1.00 0.00 N ATOM 737 CA PRO A 44 1.237 9.853 -7.007 1.00 0.00 C ATOM 738 C PRO A 44 2.280 9.224 -7.925 1.00 0.00 C ATOM 739 O PRO A 44 2.160 9.238 -9.134 1.00 0.00 O ATOM 740 CB PRO A 44 0.020 8.944 -6.873 1.00 0.00 C ATOM 741 CG PRO A 44 -0.952 9.475 -7.972 1.00 0.00 C ATOM 742 CD PRO A 44 -0.668 11.000 -8.082 1.00 0.00 C ATOM 0 HA PRO A 44 1.732 10.026 -6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.280 7.898 -7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.423 9.010 -5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.778 8.974 -8.924 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.991 9.289 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.759 11.361 -9.107 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.355 11.589 -7.474 1.00 0.00 H new ATOM 750 N LYS A 45 3.301 8.666 -7.346 1.00 0.00 N ATOM 751 CA LYS A 45 4.367 8.021 -8.151 1.00 0.00 C ATOM 752 C LYS A 45 3.987 6.549 -8.375 1.00 0.00 C ATOM 753 O LYS A 45 4.651 5.826 -9.091 1.00 0.00 O ATOM 754 CB LYS A 45 5.694 8.159 -7.379 1.00 0.00 C ATOM 755 CG LYS A 45 6.507 6.865 -7.424 1.00 0.00 C ATOM 756 CD LYS A 45 7.076 6.663 -8.829 1.00 0.00 C ATOM 757 CE LYS A 45 8.353 7.491 -8.985 1.00 0.00 C ATOM 758 NZ LYS A 45 8.444 8.009 -10.380 1.00 0.00 N ATOM 0 H LYS A 45 3.443 8.629 -6.337 1.00 0.00 H new ATOM 0 HA LYS A 45 4.481 8.492 -9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.281 8.973 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.487 8.424 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.317 6.907 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.877 6.018 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.291 5.608 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.342 6.962 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.350 8.320 -8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.226 6.880 -8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.312 8.572 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.466 7.211 -11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.617 8.607 -10.583 1.00 0.00 H new ATOM 772 N GLY A 46 2.920 6.108 -7.764 1.00 0.00 N ATOM 773 CA GLY A 46 2.482 4.695 -7.932 1.00 0.00 C ATOM 774 C GLY A 46 1.205 4.474 -7.118 1.00 0.00 C ATOM 775 O GLY A 46 1.137 4.809 -5.950 1.00 0.00 O ATOM 0 H GLY A 46 2.330 6.671 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.301 4.479 -8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.265 4.015 -7.597 1.00 0.00 H new ATOM 779 N MET A 47 0.188 3.928 -7.723 1.00 0.00 N ATOM 780 CA MET A 47 -1.081 3.707 -6.977 1.00 0.00 C ATOM 781 C MET A 47 -1.511 2.244 -7.099 1.00 0.00 C ATOM 782 O MET A 47 -1.622 1.707 -8.183 1.00 0.00 O ATOM 783 CB MET A 47 -2.175 4.606 -7.556 1.00 0.00 C ATOM 784 CG MET A 47 -1.623 6.016 -7.779 1.00 0.00 C ATOM 785 SD MET A 47 -2.393 6.738 -9.248 1.00 0.00 S ATOM 786 CE MET A 47 -1.496 5.757 -10.475 1.00 0.00 C ATOM 0 H MET A 47 0.180 3.626 -8.697 1.00 0.00 H new ATOM 0 HA MET A 47 -0.924 3.948 -5.926 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.536 4.194 -8.498 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.026 4.642 -6.876 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.823 6.639 -6.907 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.541 5.979 -7.903 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.106 6.415 -11.252 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.670 5.236 -9.991 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.172 5.028 -10.923 1.00 0.00 H new ATOM 796 N ILE A 48 -1.766 1.600 -5.993 1.00 0.00 N ATOM 797 CA ILE A 48 -2.203 0.178 -6.042 1.00 0.00 C ATOM 798 C ILE A 48 -3.737 0.133 -6.012 1.00 0.00 C ATOM 799 O ILE A 48 -4.351 0.789 -5.196 1.00 0.00 O ATOM 800 CB ILE A 48 -1.645 -0.567 -4.828 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.159 -0.234 -4.668 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.810 -2.075 -5.032 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.124 0.160 -3.218 1.00 0.00 C ATOM 0 H ILE A 48 -1.690 1.999 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.836 -0.295 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.187 -0.261 -3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.449 -1.094 -4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.116 0.581 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.412 -2.605 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.867 -2.313 -5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.268 -2.383 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.182 0.397 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.473 1.033 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.135 -0.669 -2.559 1.00 0.00 H new ATOM 815 N PRO A 49 -4.315 -0.630 -6.907 1.00 0.00 N ATOM 816 CA PRO A 49 -5.764 -0.749 -6.993 1.00 0.00 C ATOM 817 C PRO A 49 -6.309 -1.561 -5.816 1.00 0.00 C ATOM 818 O PRO A 49 -5.639 -2.418 -5.274 1.00 0.00 O ATOM 819 CB PRO A 49 -6.007 -1.482 -8.306 1.00 0.00 C ATOM 820 CG PRO A 49 -4.689 -2.290 -8.519 1.00 0.00 C ATOM 821 CD PRO A 49 -3.562 -1.423 -7.891 1.00 0.00 C ATOM 0 HA PRO A 49 -6.263 0.219 -6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.875 -2.138 -8.245 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.189 -0.787 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.746 -3.267 -8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.504 -2.466 -9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.789 -2.032 -7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.067 -0.795 -8.632 1.00 0.00 H new ATOM 829 N LEU A 50 -7.525 -1.301 -5.422 1.00 0.00 N ATOM 830 CA LEU A 50 -8.124 -2.057 -4.289 1.00 0.00 C ATOM 831 C LEU A 50 -8.858 -3.285 -4.835 1.00 0.00 C ATOM 832 O LEU A 50 -9.511 -4.006 -4.106 1.00 0.00 O ATOM 833 CB LEU A 50 -9.115 -1.157 -3.547 1.00 0.00 C ATOM 834 CG LEU A 50 -8.548 -0.788 -2.175 1.00 0.00 C ATOM 835 CD1 LEU A 50 -8.490 -2.033 -1.292 1.00 0.00 C ATOM 836 CD2 LEU A 50 -7.139 -0.219 -2.340 1.00 0.00 C ATOM 0 H LEU A 50 -8.131 -0.594 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.339 -2.376 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.306 -0.254 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.070 -1.669 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.191 -0.041 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.086 -1.768 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.494 -2.440 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.849 -2.781 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.736 0.044 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.498 -0.966 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.177 0.671 -2.968 1.00 0.00 H new ATOM 848 N LYS A 51 -8.760 -3.529 -6.114 1.00 0.00 N ATOM 849 CA LYS A 51 -9.452 -4.704 -6.708 1.00 0.00 C ATOM 850 C LYS A 51 -9.102 -5.964 -5.914 1.00 0.00 C ATOM 851 O LYS A 51 -9.917 -6.499 -5.191 1.00 0.00 O ATOM 852 CB LYS A 51 -9.000 -4.869 -8.160 1.00 0.00 C ATOM 853 CG LYS A 51 -10.074 -5.619 -8.941 1.00 0.00 C ATOM 854 CD LYS A 51 -10.615 -4.721 -10.055 1.00 0.00 C ATOM 855 CE LYS A 51 -11.765 -3.872 -9.510 1.00 0.00 C ATOM 856 NZ LYS A 51 -12.072 -2.778 -10.473 1.00 0.00 N ATOM 0 H LYS A 51 -8.228 -2.962 -6.774 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.531 -4.550 -6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.822 -3.893 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.057 -5.415 -8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.659 -6.533 -9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.883 -5.916 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.822 -4.077 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.961 -5.329 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.648 -4.492 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.495 -3.453 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.854 -2.200 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.230 -2.181 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.347 -3.188 -11.388 1.00 0.00 H new ATOM 870 N GLY A 52 -7.895 -6.444 -6.044 1.00 0.00 N ATOM 871 CA GLY A 52 -7.498 -7.669 -5.297 1.00 0.00 C ATOM 872 C GLY A 52 -5.976 -7.799 -5.303 1.00 0.00 C ATOM 873 O GLY A 52 -5.415 -8.614 -6.010 1.00 0.00 O ATOM 0 H GLY A 52 -7.168 -6.040 -6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.865 -7.618 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.951 -8.549 -5.754 1.00 0.00 H new ATOM 877 N SER A 53 -5.299 -7.002 -4.523 1.00 0.00 N ATOM 878 CA SER A 53 -3.813 -7.083 -4.486 1.00 0.00 C ATOM 879 C SER A 53 -3.392 -8.268 -3.623 1.00 0.00 C ATOM 880 O SER A 53 -4.214 -8.994 -3.102 1.00 0.00 O ATOM 881 CB SER A 53 -3.244 -5.786 -3.903 1.00 0.00 C ATOM 882 OG SER A 53 -2.211 -6.094 -2.975 1.00 0.00 O ATOM 0 H SER A 53 -5.711 -6.299 -3.910 1.00 0.00 H new ATOM 0 HA SER A 53 -3.428 -7.219 -5.497 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.853 -5.157 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.034 -5.220 -3.409 1.00 0.00 H new ATOM 0 HG SER A 53 -1.956 -5.283 -2.488 1.00 0.00 H new ATOM 888 N THR A 54 -2.115 -8.479 -3.480 1.00 0.00 N ATOM 889 CA THR A 54 -1.643 -9.625 -2.668 1.00 0.00 C ATOM 890 C THR A 54 -0.533 -9.163 -1.721 1.00 0.00 C ATOM 891 O THR A 54 0.573 -8.887 -2.135 1.00 0.00 O ATOM 892 CB THR A 54 -1.113 -10.701 -3.613 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.226 -10.245 -4.952 1.00 0.00 O ATOM 894 CG2 THR A 54 -1.939 -11.973 -3.445 1.00 0.00 C ATOM 0 H THR A 54 -1.379 -7.905 -3.892 1.00 0.00 H new ATOM 0 HA THR A 54 -2.462 -10.028 -2.072 1.00 0.00 H new ATOM 0 HB THR A 54 -0.068 -10.909 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.011 -9.290 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.563 -12.743 -4.119 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.863 -12.323 -2.415 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.982 -11.763 -3.681 1.00 0.00 H new ATOM 902 N LEU A 55 -0.826 -9.076 -0.451 1.00 0.00 N ATOM 903 CA LEU A 55 0.206 -8.627 0.529 1.00 0.00 C ATOM 904 C LEU A 55 0.978 -9.844 1.045 1.00 0.00 C ATOM 905 O LEU A 55 0.423 -10.731 1.663 1.00 0.00 O ATOM 906 CB LEU A 55 -0.490 -7.907 1.694 1.00 0.00 C ATOM 907 CG LEU A 55 0.413 -7.862 2.938 1.00 0.00 C ATOM 908 CD1 LEU A 55 0.298 -9.179 3.705 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.872 -7.637 2.531 1.00 0.00 C ATOM 0 H LEU A 55 -1.737 -9.297 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 55 0.905 -7.942 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.751 -6.892 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.422 -8.418 1.936 1.00 0.00 H new ATOM 0 HG LEU A 55 0.091 -7.037 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.939 -9.144 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.736 -9.331 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.609 -10.003 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.498 -7.608 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.199 -8.451 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.959 -6.692 1.996 1.00 0.00 H new ATOM 921 N THR A 56 2.258 -9.889 0.794 1.00 0.00 N ATOM 922 CA THR A 56 3.075 -11.040 1.264 1.00 0.00 C ATOM 923 C THR A 56 3.945 -10.597 2.444 1.00 0.00 C ATOM 924 O THR A 56 4.602 -9.575 2.395 1.00 0.00 O ATOM 925 CB THR A 56 3.973 -11.526 0.122 1.00 0.00 C ATOM 926 OG1 THR A 56 3.183 -12.219 -0.834 1.00 0.00 O ATOM 927 CG2 THR A 56 5.049 -12.464 0.673 1.00 0.00 C ATOM 0 H THR A 56 2.774 -9.174 0.281 1.00 0.00 H new ATOM 0 HA THR A 56 2.418 -11.850 1.580 1.00 0.00 H new ATOM 0 HB THR A 56 4.453 -10.669 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.754 -12.530 -1.567 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.685 -12.807 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.655 -11.932 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.575 -13.322 1.149 1.00 0.00 H new ATOM 935 N SER A 57 3.953 -11.362 3.503 1.00 0.00 N ATOM 936 CA SER A 57 4.778 -10.992 4.688 1.00 0.00 C ATOM 937 C SER A 57 5.368 -12.264 5.312 1.00 0.00 C ATOM 938 O SER A 57 4.645 -13.183 5.644 1.00 0.00 O ATOM 939 CB SER A 57 3.899 -10.282 5.718 1.00 0.00 C ATOM 940 OG SER A 57 2.559 -10.245 5.245 1.00 0.00 O ATOM 0 H SER A 57 3.423 -12.228 3.598 1.00 0.00 H new ATOM 0 HA SER A 57 5.585 -10.328 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.945 -10.804 6.674 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.265 -9.270 5.889 1.00 0.00 H new ATOM 0 HG SER A 57 1.945 -10.416 5.989 1.00 0.00 H new ATOM 946 N PRO A 58 6.671 -12.275 5.453 1.00 0.00 N ATOM 947 CA PRO A 58 7.510 -11.159 5.046 1.00 0.00 C ATOM 948 C PRO A 58 7.612 -11.099 3.520 1.00 0.00 C ATOM 949 O PRO A 58 6.809 -11.671 2.811 1.00 0.00 O ATOM 950 CB PRO A 58 8.860 -11.451 5.662 1.00 0.00 C ATOM 951 CG PRO A 58 8.869 -13.004 5.812 1.00 0.00 C ATOM 952 CD PRO A 58 7.385 -13.417 6.036 1.00 0.00 C ATOM 0 HA PRO A 58 7.111 -10.198 5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.674 -11.105 5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.976 -10.955 6.625 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.277 -13.481 4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.492 -13.312 6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.140 -14.353 5.534 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.152 -13.551 7.092 1.00 0.00 H new ATOM 960 N CYS A 59 8.593 -10.406 3.010 1.00 0.00 N ATOM 961 CA CYS A 59 8.743 -10.304 1.531 1.00 0.00 C ATOM 962 C CYS A 59 9.893 -11.203 1.069 1.00 0.00 C ATOM 963 O CYS A 59 10.152 -12.240 1.645 1.00 0.00 O ATOM 964 CB CYS A 59 9.041 -8.853 1.153 1.00 0.00 C ATOM 965 SG CYS A 59 10.758 -8.462 1.565 1.00 0.00 S ATOM 0 H CYS A 59 9.297 -9.906 3.553 1.00 0.00 H new ATOM 0 HA CYS A 59 7.820 -10.624 1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.868 -8.701 0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.366 -8.182 1.685 1.00 0.00 H new ATOM 0 HG CYS A 59 11.208 -7.564 0.740 1.00 0.00 H new ATOM 971 N GLN A 60 10.581 -10.815 0.030 1.00 0.00 N ATOM 972 CA GLN A 60 11.709 -11.650 -0.471 1.00 0.00 C ATOM 973 C GLN A 60 13.004 -11.237 0.223 1.00 0.00 C ATOM 974 O GLN A 60 13.000 -10.789 1.353 1.00 0.00 O ATOM 975 CB GLN A 60 11.849 -11.459 -1.983 1.00 0.00 C ATOM 976 CG GLN A 60 12.285 -10.023 -2.281 1.00 0.00 C ATOM 977 CD GLN A 60 11.476 -9.479 -3.460 1.00 0.00 C ATOM 978 OE1 GLN A 60 11.043 -8.344 -3.442 1.00 0.00 O ATOM 979 NE2 GLN A 60 11.254 -10.247 -4.492 1.00 0.00 N ATOM 0 H GLN A 60 10.411 -9.956 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 60 11.508 -12.699 -0.255 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.580 -12.162 -2.382 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.900 -11.671 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.134 -9.396 -1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.350 -9.996 -2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.618 -11.200 -4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.717 -9.894 -5.284 1.00 0.00 H new ATOM 988 N ASP A 61 14.114 -11.379 -0.446 1.00 0.00 N ATOM 989 CA ASP A 61 15.409 -10.989 0.173 1.00 0.00 C ATOM 990 C ASP A 61 15.646 -9.496 -0.056 1.00 0.00 C ATOM 991 O ASP A 61 16.757 -9.012 0.032 1.00 0.00 O ATOM 992 CB ASP A 61 16.545 -11.793 -0.467 1.00 0.00 C ATOM 993 CG ASP A 61 16.878 -12.996 0.415 1.00 0.00 C ATOM 994 OD1 ASP A 61 16.004 -13.429 1.147 1.00 0.00 O ATOM 995 OD2 ASP A 61 18.003 -13.463 0.346 1.00 0.00 O ATOM 0 H ASP A 61 14.179 -11.748 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 61 15.381 -11.195 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.252 -12.128 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.426 -11.163 -0.589 1.00 0.00 H new ATOM 1000 N PHE A 62 14.607 -8.760 -0.348 1.00 0.00 N ATOM 1001 CA PHE A 62 14.774 -7.298 -0.580 1.00 0.00 C ATOM 1002 C PHE A 62 14.635 -6.559 0.752 1.00 0.00 C ATOM 1003 O PHE A 62 13.575 -6.081 1.102 1.00 0.00 O ATOM 1004 CB PHE A 62 13.698 -6.806 -1.549 1.00 0.00 C ATOM 1005 CG PHE A 62 14.235 -5.647 -2.356 1.00 0.00 C ATOM 1006 CD1 PHE A 62 15.240 -4.827 -1.825 1.00 0.00 C ATOM 1007 CD2 PHE A 62 13.727 -5.392 -3.636 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.737 -3.753 -2.574 1.00 0.00 C ATOM 1009 CE2 PHE A 62 14.223 -4.318 -4.386 1.00 0.00 C ATOM 1010 CZ PHE A 62 15.228 -3.499 -3.855 1.00 0.00 C ATOM 0 H PHE A 62 13.652 -9.108 -0.436 1.00 0.00 H new ATOM 0 HA PHE A 62 15.759 -7.106 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.395 -7.615 -2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.810 -6.497 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.631 -5.023 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.952 -6.024 -4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.512 -3.121 -2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.831 -4.121 -5.373 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.611 -2.671 -4.433 1.00 0.00 H new ATOM 1020 N GLY A 63 15.700 -6.471 1.500 1.00 0.00 N ATOM 1021 CA GLY A 63 15.635 -5.773 2.815 1.00 0.00 C ATOM 1022 C GLY A 63 15.713 -6.809 3.937 1.00 0.00 C ATOM 1023 O GLY A 63 16.568 -6.745 4.797 1.00 0.00 O ATOM 0 H GLY A 63 16.614 -6.853 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.455 -5.061 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.709 -5.204 2.893 1.00 0.00 H new ATOM 1027 N LYS A 64 14.827 -7.768 3.928 1.00 0.00 N ATOM 1028 CA LYS A 64 14.845 -8.817 4.987 1.00 0.00 C ATOM 1029 C LYS A 64 15.103 -8.172 6.351 1.00 0.00 C ATOM 1030 O LYS A 64 15.620 -8.799 7.254 1.00 0.00 O ATOM 1031 CB LYS A 64 15.955 -9.826 4.682 1.00 0.00 C ATOM 1032 CG LYS A 64 15.777 -11.066 5.560 1.00 0.00 C ATOM 1033 CD LYS A 64 15.841 -12.321 4.689 1.00 0.00 C ATOM 1034 CE LYS A 64 16.198 -13.529 5.557 1.00 0.00 C ATOM 1035 NZ LYS A 64 17.153 -14.405 4.821 1.00 0.00 N ATOM 0 H LYS A 64 14.090 -7.870 3.231 1.00 0.00 H new ATOM 0 HA LYS A 64 13.881 -9.326 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.926 -10.106 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.930 -9.375 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.555 -11.100 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.821 -11.021 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.882 -12.484 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.585 -12.193 3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.642 -13.197 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.297 -14.087 5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.396 -15.226 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.714 -14.732 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.017 -13.869 4.601 1.00 0.00 H new ATOM 1049 N ARG A 65 14.743 -6.928 6.512 1.00 0.00 N ATOM 1050 CA ARG A 65 14.967 -6.255 7.822 1.00 0.00 C ATOM 1051 C ARG A 65 13.762 -6.503 8.730 1.00 0.00 C ATOM 1052 O ARG A 65 13.564 -5.824 9.716 1.00 0.00 O ATOM 1053 CB ARG A 65 15.139 -4.749 7.604 1.00 0.00 C ATOM 1054 CG ARG A 65 16.614 -4.434 7.346 1.00 0.00 C ATOM 1055 CD ARG A 65 16.826 -2.919 7.381 1.00 0.00 C ATOM 1056 NE ARG A 65 17.268 -2.510 8.744 1.00 0.00 N ATOM 1057 CZ ARG A 65 17.185 -1.260 9.110 1.00 0.00 C ATOM 1058 NH1 ARG A 65 16.981 -0.331 8.217 1.00 0.00 N ATOM 1059 NH2 ARG A 65 17.307 -0.938 10.369 1.00 0.00 N ATOM 0 H ARG A 65 14.305 -6.350 5.795 1.00 0.00 H new ATOM 0 HA ARG A 65 15.867 -6.657 8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.533 -4.422 6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.787 -4.202 8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.237 -4.917 8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.918 -4.832 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.573 -2.629 6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.901 -2.406 7.118 1.00 0.00 H new ATOM 0 HE ARG A 65 17.636 -3.207 9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 65 16.886 -0.582 7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.916 0.646 8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.467 -1.664 11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.242 0.039 10.654 1.00 0.00 H new ATOM 1073 N MET A 66 12.948 -7.472 8.396 1.00 0.00 N ATOM 1074 CA MET A 66 11.750 -7.768 9.232 1.00 0.00 C ATOM 1075 C MET A 66 10.773 -6.596 9.176 1.00 0.00 C ATOM 1076 O MET A 66 9.798 -6.548 9.899 1.00 0.00 O ATOM 1077 CB MET A 66 12.183 -7.999 10.674 1.00 0.00 C ATOM 1078 CG MET A 66 12.326 -9.496 10.903 1.00 0.00 C ATOM 1079 SD MET A 66 12.465 -9.833 12.676 1.00 0.00 S ATOM 1080 CE MET A 66 14.083 -9.066 12.927 1.00 0.00 C ATOM 0 H MET A 66 13.063 -8.071 7.578 1.00 0.00 H new ATOM 0 HA MET A 66 11.258 -8.662 8.849 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.129 -7.494 10.871 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.449 -7.579 11.362 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.464 -10.021 10.490 1.00 0.00 H new ATOM 0 HG3 MET A 66 13.207 -9.871 10.382 1.00 0.00 H new ATOM 0 HE1 MET A 66 14.530 -9.452 13.843 1.00 0.00 H new ATOM 0 HE2 MET A 66 14.731 -9.298 12.082 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.965 -7.985 13.008 1.00 0.00 H new ATOM 1090 N PHE A 67 11.029 -5.658 8.319 1.00 0.00 N ATOM 1091 CA PHE A 67 10.121 -4.481 8.199 1.00 0.00 C ATOM 1092 C PHE A 67 9.867 -4.180 6.720 1.00 0.00 C ATOM 1093 O PHE A 67 9.620 -3.051 6.344 1.00 0.00 O ATOM 1094 CB PHE A 67 10.767 -3.258 8.857 1.00 0.00 C ATOM 1095 CG PHE A 67 11.636 -3.692 10.016 1.00 0.00 C ATOM 1096 CD1 PHE A 67 11.096 -4.480 11.040 1.00 0.00 C ATOM 1097 CD2 PHE A 67 12.980 -3.300 10.066 1.00 0.00 C ATOM 1098 CE1 PHE A 67 11.902 -4.877 12.116 1.00 0.00 C ATOM 1099 CE2 PHE A 67 13.785 -3.697 11.143 1.00 0.00 C ATOM 1100 CZ PHE A 67 13.246 -4.485 12.167 1.00 0.00 C ATOM 0 H PHE A 67 11.832 -5.650 7.690 1.00 0.00 H new ATOM 0 HA PHE A 67 9.178 -4.706 8.697 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.366 -2.716 8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.995 -2.573 9.207 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.060 -4.782 11.001 1.00 0.00 H new ATOM 0 HD2 PHE A 67 13.396 -2.693 9.276 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.487 -5.485 12.906 1.00 0.00 H new ATOM 0 HE2 PHE A 67 14.821 -3.395 11.183 1.00 0.00 H new ATOM 0 HZ PHE A 67 13.866 -4.791 12.996 1.00 0.00 H new ATOM 1110 N VAL A 68 9.929 -5.173 5.876 1.00 0.00 N ATOM 1111 CA VAL A 68 9.693 -4.931 4.423 1.00 0.00 C ATOM 1112 C VAL A 68 8.619 -5.888 3.906 1.00 0.00 C ATOM 1113 O VAL A 68 8.710 -7.088 4.075 1.00 0.00 O ATOM 1114 CB VAL A 68 10.993 -5.162 3.650 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.607 -6.497 4.074 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.694 -5.193 2.149 1.00 0.00 C ATOM 0 H VAL A 68 10.132 -6.140 6.128 1.00 0.00 H new ATOM 0 HA VAL A 68 9.359 -3.903 4.280 1.00 0.00 H new ATOM 0 HB VAL A 68 11.693 -4.355 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.533 -6.663 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.819 -6.477 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.907 -7.304 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.619 -5.357 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.995 -6.001 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.255 -4.243 1.846 1.00 0.00 H new ATOM 1126 N PHE A 69 7.603 -5.369 3.273 1.00 0.00 N ATOM 1127 CA PHE A 69 6.524 -6.253 2.743 1.00 0.00 C ATOM 1128 C PHE A 69 6.572 -6.273 1.206 1.00 0.00 C ATOM 1129 O PHE A 69 7.222 -5.451 0.584 1.00 0.00 O ATOM 1130 CB PHE A 69 5.156 -5.744 3.244 1.00 0.00 C ATOM 1131 CG PHE A 69 4.582 -4.693 2.311 1.00 0.00 C ATOM 1132 CD1 PHE A 69 5.430 -3.827 1.608 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.194 -4.592 2.146 1.00 0.00 C ATOM 1134 CE1 PHE A 69 4.894 -2.869 0.741 1.00 0.00 C ATOM 1135 CE2 PHE A 69 2.658 -3.630 1.282 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.508 -2.768 0.578 1.00 0.00 C ATOM 0 H PHE A 69 7.472 -4.372 3.099 1.00 0.00 H new ATOM 0 HA PHE A 69 6.672 -7.272 3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.462 -6.580 3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.266 -5.324 4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.500 -3.899 1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.537 -5.257 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.551 -2.207 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.588 -3.552 1.158 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.094 -2.027 -0.090 1.00 0.00 H new ATOM 1146 N LYS A 70 5.881 -7.198 0.592 1.00 0.00 N ATOM 1147 CA LYS A 70 5.879 -7.263 -0.900 1.00 0.00 C ATOM 1148 C LYS A 70 4.442 -7.469 -1.392 1.00 0.00 C ATOM 1149 O LYS A 70 3.888 -8.545 -1.287 1.00 0.00 O ATOM 1150 CB LYS A 70 6.763 -8.430 -1.365 1.00 0.00 C ATOM 1151 CG LYS A 70 6.413 -8.810 -2.808 1.00 0.00 C ATOM 1152 CD LYS A 70 7.545 -9.644 -3.410 1.00 0.00 C ATOM 1153 CE LYS A 70 7.372 -11.110 -3.007 1.00 0.00 C ATOM 1154 NZ LYS A 70 7.950 -11.987 -4.065 1.00 0.00 N ATOM 0 H LYS A 70 5.319 -7.910 1.058 1.00 0.00 H new ATOM 0 HA LYS A 70 6.273 -6.333 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.814 -8.150 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.620 -9.289 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.481 -9.375 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.255 -7.911 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.540 -9.552 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.509 -9.272 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.867 -11.297 -2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.315 -11.338 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.833 -12.984 -3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.459 -11.815 -4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.962 -11.775 -4.177 1.00 0.00 H new ATOM 1168 N ILE A 71 3.832 -6.445 -1.926 1.00 0.00 N ATOM 1169 CA ILE A 71 2.430 -6.583 -2.416 1.00 0.00 C ATOM 1170 C ILE A 71 2.438 -7.024 -3.882 1.00 0.00 C ATOM 1171 O ILE A 71 3.439 -6.949 -4.565 1.00 0.00 O ATOM 1172 CB ILE A 71 1.704 -5.233 -2.268 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.027 -5.180 -0.900 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.636 -5.059 -3.361 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.303 -3.844 -0.741 1.00 0.00 C ATOM 0 H ILE A 71 4.244 -5.519 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 71 1.906 -7.336 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 71 2.436 -4.432 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.320 -6.003 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.769 -5.300 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.138 -4.098 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.110 -5.095 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.098 -5.861 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.180 -3.806 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.022 -3.029 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.450 -3.743 -1.523 1.00 0.00 H new ATOM 1187 N THR A 72 1.312 -7.473 -4.364 1.00 0.00 N ATOM 1188 CA THR A 72 1.216 -7.914 -5.780 1.00 0.00 C ATOM 1189 C THR A 72 -0.171 -7.541 -6.308 1.00 0.00 C ATOM 1190 O THR A 72 -1.124 -8.274 -6.150 1.00 0.00 O ATOM 1191 CB THR A 72 1.412 -9.431 -5.857 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.787 -9.737 -5.675 1.00 0.00 O ATOM 1193 CG2 THR A 72 0.949 -9.940 -7.222 1.00 0.00 C ATOM 0 H THR A 72 0.447 -7.553 -3.830 1.00 0.00 H new ATOM 0 HA THR A 72 1.985 -7.429 -6.381 1.00 0.00 H new ATOM 0 HB THR A 72 0.825 -9.914 -5.076 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.915 -10.707 -5.722 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.089 -11.020 -7.274 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.106 -9.704 -7.359 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.533 -9.460 -8.007 1.00 0.00 H new ATOM 1201 N THR A 73 -0.296 -6.397 -6.921 1.00 0.00 N ATOM 1202 CA THR A 73 -1.633 -5.981 -7.439 1.00 0.00 C ATOM 1203 C THR A 73 -2.260 -7.140 -8.217 1.00 0.00 C ATOM 1204 O THR A 73 -1.569 -7.983 -8.746 1.00 0.00 O ATOM 1205 CB THR A 73 -1.495 -4.763 -8.358 1.00 0.00 C ATOM 1206 OG1 THR A 73 -1.215 -5.199 -9.680 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.365 -3.856 -7.865 1.00 0.00 C ATOM 0 H THR A 73 0.462 -5.735 -7.086 1.00 0.00 H new ATOM 0 HA THR A 73 -2.271 -5.714 -6.596 1.00 0.00 H new ATOM 0 HB THR A 73 -2.429 -4.200 -8.348 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.160 -4.423 -10.276 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.276 -2.994 -8.526 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.586 -3.517 -6.853 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.573 -4.411 -7.865 1.00 0.00 H new ATOM 1215 N THR A 74 -3.566 -7.183 -8.282 1.00 0.00 N ATOM 1216 CA THR A 74 -4.254 -8.282 -9.018 1.00 0.00 C ATOM 1217 C THR A 74 -3.691 -8.383 -10.434 1.00 0.00 C ATOM 1218 O THR A 74 -4.205 -7.795 -11.364 1.00 0.00 O ATOM 1219 CB THR A 74 -5.757 -7.991 -9.086 1.00 0.00 C ATOM 1220 OG1 THR A 74 -6.314 -8.653 -10.213 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.983 -6.484 -9.213 1.00 0.00 C ATOM 0 H THR A 74 -4.188 -6.498 -7.853 1.00 0.00 H new ATOM 0 HA THR A 74 -4.089 -9.224 -8.495 1.00 0.00 H new ATOM 0 HB THR A 74 -6.239 -8.351 -8.177 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.914 -8.295 -11.033 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.053 -6.279 -9.261 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.555 -5.978 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.502 -6.119 -10.121 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.638 -9.132 -10.593 1.00 0.00 N ATOM 1230 CA LYS A 75 -2.014 -9.296 -11.938 1.00 0.00 C ATOM 1231 C LYS A 75 -0.565 -9.747 -11.757 1.00 0.00 C ATOM 1232 O LYS A 75 -0.247 -10.914 -11.871 1.00 0.00 O ATOM 1233 CB LYS A 75 -2.036 -7.964 -12.691 1.00 0.00 C ATOM 1234 CG LYS A 75 -3.100 -8.016 -13.789 1.00 0.00 C ATOM 1235 CD LYS A 75 -3.647 -6.610 -14.037 1.00 0.00 C ATOM 1236 CE LYS A 75 -2.484 -5.636 -14.233 1.00 0.00 C ATOM 1237 NZ LYS A 75 -2.770 -4.742 -15.390 1.00 0.00 N ATOM 0 H LYS A 75 -2.176 -9.644 -9.841 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.572 -10.038 -12.510 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.250 -7.148 -12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.057 -7.765 -13.127 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.671 -8.418 -14.707 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.908 -8.686 -13.495 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.289 -6.608 -14.918 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.262 -6.294 -13.194 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.337 -5.043 -13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.560 -6.187 -14.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.978 -4.081 -15.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.889 -5.315 -16.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.642 -4.206 -15.207 1.00 0.00 H new ATOM 1251 N GLN A 76 0.316 -8.827 -11.469 1.00 0.00 N ATOM 1252 CA GLN A 76 1.745 -9.199 -11.274 1.00 0.00 C ATOM 1253 C GLN A 76 2.569 -7.941 -10.983 1.00 0.00 C ATOM 1254 O GLN A 76 3.733 -7.862 -11.323 1.00 0.00 O ATOM 1255 CB GLN A 76 2.274 -9.873 -12.540 1.00 0.00 C ATOM 1256 CG GLN A 76 2.357 -8.843 -13.666 1.00 0.00 C ATOM 1257 CD GLN A 76 2.038 -9.518 -15.001 1.00 0.00 C ATOM 1258 OE1 GLN A 76 1.281 -8.996 -15.795 1.00 0.00 O ATOM 1259 NE2 GLN A 76 2.588 -10.668 -15.285 1.00 0.00 N ATOM 0 H GLN A 76 0.107 -7.835 -11.361 1.00 0.00 H new ATOM 0 HA GLN A 76 1.827 -9.888 -10.433 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.258 -10.303 -12.352 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.617 -10.693 -12.830 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.656 -8.029 -13.481 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.354 -8.403 -13.698 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.224 -11.107 -14.619 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.382 -11.127 -16.172 1.00 0.00 H new ATOM 1268 N GLN A 77 1.983 -6.961 -10.347 1.00 0.00 N ATOM 1269 CA GLN A 77 2.745 -5.722 -10.032 1.00 0.00 C ATOM 1270 C GLN A 77 3.259 -5.813 -8.596 1.00 0.00 C ATOM 1271 O GLN A 77 2.510 -5.684 -7.649 1.00 0.00 O ATOM 1272 CB GLN A 77 1.834 -4.501 -10.175 1.00 0.00 C ATOM 1273 CG GLN A 77 2.017 -3.888 -11.565 1.00 0.00 C ATOM 1274 CD GLN A 77 1.448 -2.468 -11.578 1.00 0.00 C ATOM 1275 OE1 GLN A 77 0.294 -2.267 -11.901 1.00 0.00 O ATOM 1276 NE2 GLN A 77 2.215 -1.468 -11.240 1.00 0.00 N ATOM 0 H GLN A 77 1.012 -6.967 -10.034 1.00 0.00 H new ATOM 0 HA GLN A 77 3.583 -5.620 -10.722 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.794 -4.791 -10.028 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.071 -3.765 -9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.074 -3.869 -11.829 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.512 -4.500 -12.313 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.184 -1.637 -10.969 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.846 -0.517 -11.247 1.00 0.00 H new ATOM 1285 N ASP A 78 4.529 -6.050 -8.426 1.00 0.00 N ATOM 1286 CA ASP A 78 5.083 -6.167 -7.050 1.00 0.00 C ATOM 1287 C ASP A 78 5.375 -4.776 -6.483 1.00 0.00 C ATOM 1288 O ASP A 78 5.791 -3.877 -7.187 1.00 0.00 O ATOM 1289 CB ASP A 78 6.375 -6.985 -7.091 1.00 0.00 C ATOM 1290 CG ASP A 78 7.308 -6.419 -8.165 1.00 0.00 C ATOM 1291 OD1 ASP A 78 7.312 -5.213 -8.342 1.00 0.00 O ATOM 1292 OD2 ASP A 78 8.002 -7.203 -8.790 1.00 0.00 O ATOM 0 H ASP A 78 5.206 -6.168 -9.180 1.00 0.00 H new ATOM 0 HA ASP A 78 4.354 -6.665 -6.411 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.865 -6.958 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.149 -8.030 -7.305 1.00 0.00 H new ATOM 1297 N HIS A 79 5.165 -4.599 -5.207 1.00 0.00 N ATOM 1298 CA HIS A 79 5.433 -3.278 -4.572 1.00 0.00 C ATOM 1299 C HIS A 79 6.076 -3.514 -3.205 1.00 0.00 C ATOM 1300 O HIS A 79 5.398 -3.682 -2.211 1.00 0.00 O ATOM 1301 CB HIS A 79 4.117 -2.516 -4.395 1.00 0.00 C ATOM 1302 CG HIS A 79 3.582 -2.116 -5.743 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.034 -0.990 -6.414 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.633 -2.682 -6.558 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.363 -0.914 -7.577 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.496 -1.922 -7.716 1.00 0.00 N ATOM 0 H HIS A 79 4.817 -5.318 -4.573 1.00 0.00 H new ATOM 0 HA HIS A 79 6.101 -2.691 -5.202 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.391 -3.140 -3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.277 -1.631 -3.779 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.746 -0.338 -6.085 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.077 -3.581 -6.334 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.507 -0.134 -8.310 1.00 0.00 H new ATOM 1314 N PHE A 80 7.378 -3.549 -3.150 1.00 0.00 N ATOM 1315 CA PHE A 80 8.059 -3.799 -1.846 1.00 0.00 C ATOM 1316 C PHE A 80 8.404 -2.471 -1.172 1.00 0.00 C ATOM 1317 O PHE A 80 9.024 -1.605 -1.758 1.00 0.00 O ATOM 1318 CB PHE A 80 9.353 -4.599 -2.065 1.00 0.00 C ATOM 1319 CG PHE A 80 9.366 -5.218 -3.445 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.900 -4.504 -4.527 1.00 0.00 C ATOM 1321 CD2 PHE A 80 8.848 -6.504 -3.644 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.914 -5.075 -5.807 1.00 0.00 C ATOM 1323 CE2 PHE A 80 8.861 -7.075 -4.923 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.395 -6.362 -6.004 1.00 0.00 C ATOM 0 H PHE A 80 8.000 -3.416 -3.948 1.00 0.00 H new ATOM 0 HA PHE A 80 7.383 -4.370 -1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.217 -3.945 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.437 -5.380 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.301 -3.513 -4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 80 8.438 -7.056 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.324 -4.524 -6.640 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.459 -8.066 -5.076 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.407 -6.804 -6.989 1.00 0.00 H new ATOM 1334 N PHE A 81 8.022 -2.314 0.065 1.00 0.00 N ATOM 1335 CA PHE A 81 8.344 -1.052 0.793 1.00 0.00 C ATOM 1336 C PHE A 81 8.601 -1.386 2.264 1.00 0.00 C ATOM 1337 O PHE A 81 7.945 -2.228 2.843 1.00 0.00 O ATOM 1338 CB PHE A 81 7.190 -0.027 0.626 1.00 0.00 C ATOM 1339 CG PHE A 81 6.264 0.020 1.838 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.757 0.380 3.102 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.904 -0.280 1.684 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.895 0.429 4.204 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.041 -0.226 2.787 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.538 0.127 4.048 1.00 0.00 C ATOM 0 H PHE A 81 7.500 -3.005 0.605 1.00 0.00 H new ATOM 0 HA PHE A 81 9.242 -0.594 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.611 0.964 0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.609 -0.281 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.803 0.620 3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.520 -0.554 0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.278 0.700 5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.993 -0.457 2.665 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.874 0.166 4.899 1.00 0.00 H new ATOM 1354 N GLN A 82 9.551 -0.731 2.872 1.00 0.00 N ATOM 1355 CA GLN A 82 9.850 -1.012 4.303 1.00 0.00 C ATOM 1356 C GLN A 82 9.419 0.181 5.158 1.00 0.00 C ATOM 1357 O GLN A 82 9.537 1.321 4.755 1.00 0.00 O ATOM 1358 CB GLN A 82 11.352 -1.245 4.473 1.00 0.00 C ATOM 1359 CG GLN A 82 11.668 -1.492 5.950 1.00 0.00 C ATOM 1360 CD GLN A 82 12.829 -0.595 6.381 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.771 -1.053 6.998 1.00 0.00 O ATOM 1362 NE2 GLN A 82 12.803 0.675 6.080 1.00 0.00 N ATOM 0 H GLN A 82 10.133 -0.014 2.439 1.00 0.00 H new ATOM 0 HA GLN A 82 9.306 -1.902 4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.668 -2.100 3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.908 -0.380 4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.789 -1.285 6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.926 -2.539 6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.013 1.060 5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.573 1.282 6.362 1.00 0.00 H new ATOM 1371 N ALA A 83 8.922 -0.073 6.337 1.00 0.00 N ATOM 1372 CA ALA A 83 8.485 1.044 7.220 1.00 0.00 C ATOM 1373 C ALA A 83 9.667 1.504 8.078 1.00 0.00 C ATOM 1374 O ALA A 83 10.804 1.476 7.647 1.00 0.00 O ATOM 1375 CB ALA A 83 7.352 0.559 8.127 1.00 0.00 C ATOM 0 H ALA A 83 8.800 -1.007 6.727 1.00 0.00 H new ATOM 0 HA ALA A 83 8.132 1.877 6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.030 1.374 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.513 0.228 7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.705 -0.272 8.738 1.00 0.00 H new ATOM 1381 N ALA A 84 9.414 1.930 9.286 1.00 0.00 N ATOM 1382 CA ALA A 84 10.531 2.391 10.159 1.00 0.00 C ATOM 1383 C ALA A 84 10.868 1.304 11.178 1.00 0.00 C ATOM 1384 O ALA A 84 11.933 1.293 11.762 1.00 0.00 O ATOM 1385 CB ALA A 84 10.116 3.667 10.892 1.00 0.00 C ATOM 0 H ALA A 84 8.485 1.979 9.705 1.00 0.00 H new ATOM 0 HA ALA A 84 11.408 2.595 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.934 4.003 11.530 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.881 4.444 10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.237 3.465 11.505 1.00 0.00 H new ATOM 1391 N PHE A 85 9.969 0.390 11.389 1.00 0.00 N ATOM 1392 CA PHE A 85 10.230 -0.705 12.369 1.00 0.00 C ATOM 1393 C PHE A 85 9.184 -1.807 12.196 1.00 0.00 C ATOM 1394 O PHE A 85 8.230 -1.663 11.457 1.00 0.00 O ATOM 1395 CB PHE A 85 10.172 -0.161 13.803 1.00 0.00 C ATOM 1396 CG PHE A 85 9.348 1.106 13.853 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.954 2.347 13.613 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.979 1.041 14.145 1.00 0.00 C ATOM 1399 CE1 PHE A 85 9.191 3.522 13.663 1.00 0.00 C ATOM 1400 CE2 PHE A 85 7.216 2.216 14.196 1.00 0.00 C ATOM 1401 CZ PHE A 85 7.822 3.455 13.955 1.00 0.00 C ATOM 0 H PHE A 85 9.061 0.350 10.926 1.00 0.00 H new ATOM 0 HA PHE A 85 11.224 -1.112 12.187 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.739 -0.910 14.466 1.00 0.00 H new ATOM 0 HB3 PHE A 85 11.181 0.039 14.164 1.00 0.00 H new ATOM 0 HD1 PHE A 85 11.009 2.398 13.389 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.511 0.085 14.331 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.658 4.478 13.477 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.161 2.165 14.421 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.234 4.360 13.994 1.00 0.00 H new ATOM 1411 N LEU A 86 9.362 -2.911 12.870 1.00 0.00 N ATOM 1412 CA LEU A 86 8.385 -4.031 12.745 1.00 0.00 C ATOM 1413 C LEU A 86 6.981 -3.536 13.094 1.00 0.00 C ATOM 1414 O LEU A 86 6.013 -3.908 12.467 1.00 0.00 O ATOM 1415 CB LEU A 86 8.780 -5.160 13.699 1.00 0.00 C ATOM 1416 CG LEU A 86 7.651 -6.189 13.770 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.441 -6.814 12.389 1.00 0.00 C ATOM 1418 CD2 LEU A 86 8.023 -7.284 14.771 1.00 0.00 C ATOM 0 H LEU A 86 10.143 -3.086 13.503 1.00 0.00 H new ATOM 0 HA LEU A 86 8.390 -4.400 11.719 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.698 -5.636 13.355 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.982 -4.757 14.692 1.00 0.00 H new ATOM 0 HG LEU A 86 6.732 -5.698 14.090 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.636 -7.547 12.440 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.177 -6.035 11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.360 -7.305 12.068 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.219 -8.018 14.823 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.942 -7.774 14.449 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.174 -6.841 15.756 1.00 0.00 H new ATOM 1430 N GLU A 87 6.858 -2.709 14.093 1.00 0.00 N ATOM 1431 CA GLU A 87 5.509 -2.203 14.476 1.00 0.00 C ATOM 1432 C GLU A 87 4.816 -1.601 13.250 1.00 0.00 C ATOM 1433 O GLU A 87 3.771 -2.057 12.830 1.00 0.00 O ATOM 1434 CB GLU A 87 5.654 -1.132 15.557 1.00 0.00 C ATOM 1435 CG GLU A 87 4.406 -1.127 16.444 1.00 0.00 C ATOM 1436 CD GLU A 87 4.536 -0.032 17.504 1.00 0.00 C ATOM 1437 OE1 GLU A 87 4.641 1.123 17.124 1.00 0.00 O ATOM 1438 OE2 GLU A 87 4.529 -0.365 18.676 1.00 0.00 O ATOM 0 H GLU A 87 7.631 -2.361 14.661 1.00 0.00 H new ATOM 0 HA GLU A 87 4.910 -3.029 14.859 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.541 -1.327 16.160 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.790 -0.153 15.098 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.517 -0.956 15.837 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.284 -2.098 16.923 1.00 0.00 H new ATOM 1445 N GLU A 88 5.388 -0.581 12.672 1.00 0.00 N ATOM 1446 CA GLU A 88 4.760 0.048 11.477 1.00 0.00 C ATOM 1447 C GLU A 88 4.723 -0.963 10.330 1.00 0.00 C ATOM 1448 O GLU A 88 4.012 -0.790 9.360 1.00 0.00 O ATOM 1449 CB GLU A 88 5.578 1.269 11.053 1.00 0.00 C ATOM 1450 CG GLU A 88 4.718 2.184 10.178 1.00 0.00 C ATOM 1451 CD GLU A 88 5.282 3.606 10.221 1.00 0.00 C ATOM 1452 OE1 GLU A 88 6.427 3.757 10.611 1.00 0.00 O ATOM 1453 OE2 GLU A 88 4.557 4.520 9.864 1.00 0.00 O ATOM 0 H GLU A 88 6.264 -0.156 12.976 1.00 0.00 H new ATOM 0 HA GLU A 88 3.744 0.359 11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.924 1.811 11.933 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.465 0.952 10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.705 1.817 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.687 2.179 10.531 1.00 0.00 H new ATOM 1460 N ARG A 89 5.486 -2.017 10.431 1.00 0.00 N ATOM 1461 CA ARG A 89 5.494 -3.035 9.343 1.00 0.00 C ATOM 1462 C ARG A 89 4.184 -3.823 9.364 1.00 0.00 C ATOM 1463 O ARG A 89 3.408 -3.776 8.431 1.00 0.00 O ATOM 1464 CB ARG A 89 6.667 -3.995 9.546 1.00 0.00 C ATOM 1465 CG ARG A 89 6.833 -4.864 8.297 1.00 0.00 C ATOM 1466 CD ARG A 89 7.165 -6.298 8.710 1.00 0.00 C ATOM 1467 NE ARG A 89 6.327 -7.246 7.923 1.00 0.00 N ATOM 1468 CZ ARG A 89 6.483 -8.533 8.070 1.00 0.00 C ATOM 1469 NH1 ARG A 89 7.364 -9.169 7.348 1.00 0.00 N ATOM 1470 NH2 ARG A 89 5.758 -9.183 8.938 1.00 0.00 N ATOM 0 H ARG A 89 6.103 -2.217 11.218 1.00 0.00 H new ATOM 0 HA ARG A 89 5.598 -2.531 8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.582 -3.434 9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.491 -4.623 10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.917 -4.848 7.706 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.627 -4.464 7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.222 -6.502 8.539 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.982 -6.433 9.776 1.00 0.00 H new ATOM 0 HE ARG A 89 5.631 -6.889 7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.930 -8.660 6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.487 -10.175 7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.069 -8.685 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.880 -10.189 9.053 1.00 0.00 H new ATOM 1484 N ASP A 90 3.934 -4.553 10.416 1.00 0.00 N ATOM 1485 CA ASP A 90 2.677 -5.350 10.489 1.00 0.00 C ATOM 1486 C ASP A 90 1.473 -4.406 10.550 1.00 0.00 C ATOM 1487 O ASP A 90 0.348 -4.805 10.330 1.00 0.00 O ATOM 1488 CB ASP A 90 2.703 -6.226 11.743 1.00 0.00 C ATOM 1489 CG ASP A 90 2.462 -7.684 11.352 1.00 0.00 C ATOM 1490 OD1 ASP A 90 3.252 -8.210 10.585 1.00 0.00 O ATOM 1491 OD2 ASP A 90 1.491 -8.252 11.826 1.00 0.00 O ATOM 0 H ASP A 90 4.546 -4.632 11.228 1.00 0.00 H new ATOM 0 HA ASP A 90 2.596 -5.982 9.604 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.664 -6.128 12.248 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.938 -5.896 12.446 1.00 0.00 H new ATOM 1496 N ALA A 91 1.700 -3.155 10.843 1.00 0.00 N ATOM 1497 CA ALA A 91 0.566 -2.193 10.908 1.00 0.00 C ATOM 1498 C ALA A 91 0.186 -1.774 9.487 1.00 0.00 C ATOM 1499 O ALA A 91 -0.977 -1.657 9.148 1.00 0.00 O ATOM 1500 CB ALA A 91 0.989 -0.959 11.710 1.00 0.00 C ATOM 0 H ALA A 91 2.619 -2.759 11.040 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.289 -2.662 11.394 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.159 -0.254 11.758 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.269 -1.260 12.720 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.841 -0.484 11.224 1.00 0.00 H new ATOM 1506 N TRP A 92 1.163 -1.555 8.651 1.00 0.00 N ATOM 1507 CA TRP A 92 0.878 -1.148 7.250 1.00 0.00 C ATOM 1508 C TRP A 92 0.457 -2.378 6.440 1.00 0.00 C ATOM 1509 O TRP A 92 -0.262 -2.278 5.465 1.00 0.00 O ATOM 1510 CB TRP A 92 2.146 -0.552 6.645 1.00 0.00 C ATOM 1511 CG TRP A 92 2.008 0.932 6.557 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.405 1.806 7.510 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.443 1.729 5.478 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.120 3.091 7.083 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.525 3.094 5.836 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.872 1.400 4.234 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.058 4.100 4.990 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.400 2.411 3.379 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.494 3.757 3.757 1.00 0.00 C ATOM 0 H TRP A 92 2.153 -1.642 8.882 1.00 0.00 H new ATOM 0 HA TRP A 92 0.075 -0.411 7.231 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.010 -0.812 7.257 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.320 -0.971 5.654 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.868 1.544 8.450 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.324 3.932 7.622 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.796 0.365 3.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.131 5.136 5.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.037 2.149 2.427 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.131 4.530 3.096 1.00 0.00 H new ATOM 1530 N VAL A 93 0.904 -3.541 6.836 1.00 0.00 N ATOM 1531 CA VAL A 93 0.538 -4.782 6.093 1.00 0.00 C ATOM 1532 C VAL A 93 -0.891 -5.189 6.460 1.00 0.00 C ATOM 1533 O VAL A 93 -1.615 -5.744 5.657 1.00 0.00 O ATOM 1534 CB VAL A 93 1.508 -5.906 6.473 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.940 -5.368 6.473 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.165 -6.435 7.866 1.00 0.00 C ATOM 0 H VAL A 93 1.509 -3.685 7.645 1.00 0.00 H new ATOM 0 HA VAL A 93 0.598 -4.600 5.020 1.00 0.00 H new ATOM 0 HB VAL A 93 1.422 -6.715 5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.629 -6.168 6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.189 -4.995 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.024 -4.557 7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.857 -7.234 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.247 -5.627 8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.146 -6.822 7.867 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.299 -4.918 7.669 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.678 -5.290 8.090 1.00 0.00 C ATOM 1548 C ARG A 94 -3.669 -4.247 7.574 1.00 0.00 C ATOM 1549 O ARG A 94 -4.841 -4.521 7.411 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.749 -5.342 9.617 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.521 -3.939 10.184 1.00 0.00 C ATOM 1552 CD ARG A 94 -2.979 -3.898 11.642 1.00 0.00 C ATOM 1553 NE ARG A 94 -1.885 -4.401 12.520 1.00 0.00 N ATOM 1554 CZ ARG A 94 -2.175 -5.040 13.620 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -2.906 -6.120 13.574 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -1.733 -4.598 14.765 1.00 0.00 N ATOM 0 H ARG A 94 -0.737 -4.455 8.383 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.930 -6.267 7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.720 -5.721 9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.997 -6.029 10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.466 -3.675 10.116 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.072 -3.204 9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.245 -2.879 11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.873 -4.508 11.771 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.911 -4.246 12.261 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.251 -6.465 12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.133 -6.619 14.434 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.161 -3.754 14.800 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.959 -5.097 15.626 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.216 -3.049 7.318 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.149 -2.003 6.817 1.00 0.00 C ATOM 1572 C ASP A 95 -4.285 -2.118 5.296 1.00 0.00 C ATOM 1573 O ASP A 95 -5.376 -2.096 4.764 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.620 -0.616 7.182 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.793 0.278 7.585 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.571 0.629 6.715 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.896 0.594 8.758 1.00 0.00 O ATOM 0 H ASP A 95 -2.247 -2.752 7.434 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.126 -2.146 7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.905 -0.690 8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.090 -0.181 6.335 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.193 -2.244 4.590 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.288 -2.364 3.109 1.00 0.00 C ATOM 1584 C ILE A 96 -3.894 -3.726 2.753 1.00 0.00 C ATOM 1585 O ILE A 96 -4.569 -3.873 1.753 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.895 -2.238 2.480 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.349 -0.825 2.741 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.005 -2.488 0.973 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.200 -0.500 1.772 1.00 0.00 C ATOM 0 H ILE A 96 -2.248 -2.269 4.972 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.922 -1.566 2.722 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.216 -2.970 2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.148 -0.093 2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.996 -0.750 3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.019 -2.400 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.398 -3.489 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.676 -1.752 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.173 0.504 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.606 -1.220 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.563 -0.553 0.746 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.663 -4.721 3.567 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.229 -6.071 3.278 1.00 0.00 C ATOM 1603 C ASN A 97 -5.662 -6.155 3.811 1.00 0.00 C ATOM 1604 O ASN A 97 -6.524 -6.751 3.199 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.368 -7.139 3.955 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.821 -8.527 3.495 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -3.352 -9.030 2.494 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -4.717 -9.172 4.190 1.00 0.00 N ATOM 0 H ASN A 97 -3.107 -4.658 4.420 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.236 -6.237 2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.318 -6.986 3.706 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.454 -7.057 5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.023 -10.098 3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.111 -8.750 5.031 1.00 0.00 H new ATOM 1615 N LYS A 98 -5.925 -5.562 4.943 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.306 -5.611 5.501 1.00 0.00 C ATOM 1617 C LYS A 98 -8.227 -4.758 4.630 1.00 0.00 C ATOM 1618 O LYS A 98 -9.408 -5.020 4.511 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.306 -5.066 6.931 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.733 -5.070 7.482 1.00 0.00 C ATOM 1621 CD LYS A 98 -8.943 -6.315 8.347 1.00 0.00 C ATOM 1622 CE LYS A 98 -8.413 -6.053 9.757 1.00 0.00 C ATOM 1623 NZ LYS A 98 -8.338 -7.338 10.507 1.00 0.00 N ATOM 0 H LYS A 98 -5.246 -5.047 5.504 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.659 -6.642 5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.660 -5.675 7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.903 -4.053 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.909 -4.170 8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.451 -5.059 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.002 -6.569 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.427 -7.168 7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.427 -5.591 9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.066 -5.353 10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.977 -7.160 11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.286 -7.761 10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.698 -7.992 10.013 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.692 -3.740 4.016 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.528 -2.869 3.145 1.00 0.00 C ATOM 1639 C ALA A 99 -8.667 -3.523 1.770 1.00 0.00 C ATOM 1640 O ALA A 99 -9.646 -3.334 1.079 1.00 0.00 O ATOM 1641 CB ALA A 99 -7.859 -1.502 2.994 1.00 0.00 C ATOM 0 H ALA A 99 -6.710 -3.473 4.080 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.513 -2.740 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.472 -0.865 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.753 -1.038 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.874 -1.627 2.543 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.691 -4.293 1.372 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.765 -4.962 0.043 1.00 0.00 C ATOM 1649 C ILE A 100 -8.696 -6.175 0.138 1.00 0.00 C ATOM 1650 O ILE A 100 -9.338 -6.551 -0.822 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.359 -5.415 -0.377 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.577 -4.213 -0.911 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.458 -6.482 -1.472 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.088 -4.560 -0.974 1.00 0.00 C ATOM 0 H ILE A 100 -6.846 -4.487 1.910 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.155 -4.266 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.846 -5.835 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.940 -3.941 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.733 -3.348 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.456 -6.798 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.013 -7.341 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.975 -6.068 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.531 -3.704 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.730 -4.811 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.941 -5.412 -1.637 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.774 -6.790 1.286 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.663 -7.978 1.433 1.00 0.00 C ATOM 1668 C LYS A 101 -11.048 -7.526 1.891 1.00 0.00 C ATOM 1669 O LYS A 101 -12.016 -8.253 1.792 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.070 -8.937 2.468 1.00 0.00 C ATOM 1671 CG LYS A 101 -8.047 -9.852 1.792 1.00 0.00 C ATOM 1672 CD LYS A 101 -8.695 -11.205 1.488 1.00 0.00 C ATOM 1673 CE LYS A 101 -7.977 -12.303 2.276 1.00 0.00 C ATOM 1674 NZ LYS A 101 -6.741 -12.710 1.549 1.00 0.00 N ATOM 0 H LYS A 101 -8.262 -6.523 2.127 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.747 -8.488 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.595 -8.373 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.862 -9.533 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.686 -9.394 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.181 -9.989 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.752 -11.182 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.641 -11.414 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.723 -11.943 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.635 -13.162 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.253 -13.456 2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.995 -13.070 0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.111 -11.888 1.448 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.148 -6.329 2.388 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.468 -5.819 2.854 1.00 0.00 C ATOM 1690 C CYS A 102 -13.121 -4.996 1.742 1.00 0.00 C ATOM 1691 O CYS A 102 -14.329 -4.875 1.672 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.268 -4.938 4.088 1.00 0.00 C ATOM 1693 SG CYS A 102 -13.657 -3.786 4.239 1.00 0.00 S ATOM 0 H CYS A 102 -10.371 -5.677 2.493 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.112 -6.661 3.108 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.196 -5.557 4.982 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -11.331 -4.386 4.006 1.00 0.00 H new ATOM 0 HG CYS A 102 -14.566 -4.085 3.359 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.333 -4.423 0.875 1.00 0.00 N ATOM 1700 CA ILE A 103 -12.901 -3.606 -0.225 1.00 0.00 C ATOM 1701 C ILE A 103 -13.544 -4.524 -1.268 1.00 0.00 C ATOM 1702 O ILE A 103 -14.442 -4.127 -1.984 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.772 -2.808 -0.870 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.348 -1.871 -1.924 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -10.783 -3.764 -1.537 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.362 -0.926 -1.275 1.00 0.00 C ATOM 0 H ILE A 103 -11.315 -4.488 0.884 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.660 -2.929 0.166 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.259 -2.228 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.548 -1.297 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.828 -2.448 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.978 -3.192 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.367 -4.438 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.298 -4.345 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.772 -0.257 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.169 -1.508 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.868 -0.339 -0.501 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.098 -5.749 -1.357 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.694 -6.685 -2.353 1.00 0.00 C ATOM 1720 C GLU A 104 -15.213 -6.671 -2.200 1.00 0.00 C ATOM 1721 O GLU A 104 -15.949 -6.995 -3.110 1.00 0.00 O ATOM 1722 CB GLU A 104 -13.161 -8.099 -2.115 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.668 -8.144 -2.446 1.00 0.00 C ATOM 1724 CD GLU A 104 -11.452 -8.963 -3.721 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -11.751 -8.450 -4.788 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -10.992 -10.086 -3.610 1.00 0.00 O ATOM 0 H GLU A 104 -12.350 -6.140 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.425 -6.371 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.323 -8.390 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.703 -8.813 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.284 -7.133 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.114 -8.587 -1.618 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.677 -6.284 -1.051 1.00 0.00 N ATOM 1734 CA GLY A 105 -17.143 -6.221 -0.807 1.00 0.00 C ATOM 1735 C GLY A 105 -17.516 -4.788 -0.445 1.00 0.00 C ATOM 1736 O GLY A 105 -17.561 -3.913 -1.286 1.00 0.00 O ATOM 0 H GLY A 105 -15.098 -6.005 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.688 -6.541 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -17.422 -6.899 -0.001 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.768 -4.539 0.806 1.00 0.00 N ATOM 1741 CA LEU A 106 -18.122 -3.157 1.235 1.00 0.00 C ATOM 1742 C LEU A 106 -19.116 -2.552 0.245 1.00 0.00 C ATOM 1743 O LEU A 106 -18.791 -1.659 -0.513 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.855 -2.306 1.263 1.00 0.00 C ATOM 1745 CG LEU A 106 -16.946 -1.280 2.392 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -18.272 -0.524 2.291 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -16.872 -1.999 3.741 1.00 0.00 C ATOM 0 H LEU A 106 -17.745 -5.233 1.553 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.573 -3.185 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.982 -2.942 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.726 -1.798 0.307 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.119 -0.575 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -18.336 0.207 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -18.326 -0.012 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.100 -1.228 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -16.937 -1.268 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -17.699 -2.704 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -15.927 -2.538 3.815 1.00 0.00 H new