USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 650 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= -2.58 K(o=-1.5,f=-9.3!) USER MOD Set 1.2: A 76 SER OG : rot -167:sc= 1.13 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -140:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.08 K(o=-2.1,f=-2.8) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0673) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.75! K(o=-2.7!,f=-2.2) USER MOD Single : A 68 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.19) USER MOD Single : A 69 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.7) USER MOD Single : A 70 CYS SG : rot 41:sc= -2.9! USER MOD Single : A 71 GLN : amide:sc= -0.609 K(o=-0.61,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 95:sc= 0.503 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 126:sc= -0.137 (180deg=-0.768) USER MOD Single : A 87 CYS SG : rot -150:sc= 0.0198 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 119:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 9 -12.205 -0.493 -9.264 1.00 0.00 N ATOM 77 CA ALA A 9 -12.256 -0.525 -7.807 1.00 0.00 C ATOM 78 C ALA A 9 -11.230 0.426 -7.201 1.00 0.00 C ATOM 79 O ALA A 9 -11.486 1.059 -6.177 1.00 0.00 O ATOM 80 CB ALA A 9 -12.028 -1.943 -7.303 1.00 0.00 C ATOM 0 HA ALA A 9 -13.247 -0.195 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.069 -1.953 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.802 -2.599 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.050 -2.294 -7.633 1.00 0.00 H new ATOM 86 N PHE A 10 -10.068 0.520 -7.838 1.00 0.00 N ATOM 87 CA PHE A 10 -9.002 1.392 -7.360 1.00 0.00 C ATOM 88 C PHE A 10 -9.006 2.720 -8.113 1.00 0.00 C ATOM 89 O PHE A 10 -8.757 2.763 -9.317 1.00 0.00 O ATOM 90 CB PHE A 10 -7.643 0.707 -7.519 1.00 0.00 C ATOM 91 CG PHE A 10 -7.272 -0.167 -6.355 1.00 0.00 C ATOM 92 CD1 PHE A 10 -6.877 0.392 -5.150 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.320 -1.547 -6.466 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.535 -0.410 -4.078 1.00 0.00 C ATOM 95 CE2 PHE A 10 -6.979 -2.354 -5.396 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.587 -1.785 -4.201 1.00 0.00 C ATOM 0 H PHE A 10 -9.840 0.003 -8.687 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.178 1.593 -6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.653 0.104 -8.427 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.874 1.469 -7.651 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.836 1.466 -5.048 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.627 -1.998 -7.398 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.227 0.038 -3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.019 -3.429 -5.495 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.321 -2.414 -3.364 1.00 0.00 H new ATOM 106 N ALA A 11 -9.292 3.800 -7.394 1.00 0.00 N ATOM 107 CA ALA A 11 -9.328 5.129 -7.993 1.00 0.00 C ATOM 108 C ALA A 11 -7.929 5.591 -8.387 1.00 0.00 C ATOM 109 O ALA A 11 -7.763 6.372 -9.325 1.00 0.00 O ATOM 110 CB ALA A 11 -9.963 6.123 -7.033 1.00 0.00 C ATOM 0 H ALA A 11 -9.502 3.781 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.934 5.077 -8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.983 7.111 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.981 5.808 -6.804 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.380 6.163 -6.113 1.00 0.00 H new ATOM 116 N LYS A 12 -6.925 5.105 -7.666 1.00 0.00 N ATOM 117 CA LYS A 12 -5.540 5.467 -7.940 1.00 0.00 C ATOM 118 C LYS A 12 -4.590 4.353 -7.510 1.00 0.00 C ATOM 119 O LYS A 12 -4.367 4.142 -6.318 1.00 0.00 O ATOM 120 CB LYS A 12 -5.178 6.767 -7.217 1.00 0.00 C ATOM 121 CG LYS A 12 -3.833 7.338 -7.630 1.00 0.00 C ATOM 122 CD LYS A 12 -3.535 8.641 -6.906 1.00 0.00 C ATOM 123 CE LYS A 12 -2.117 9.120 -7.182 1.00 0.00 C ATOM 124 NZ LYS A 12 -2.050 9.986 -8.391 1.00 0.00 N ATOM 0 H LYS A 12 -7.045 4.458 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.436 5.615 -9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.953 7.509 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.172 6.586 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.048 6.613 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.824 7.508 -8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.246 9.405 -7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.671 8.502 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.746 9.672 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.462 8.259 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.068 10.292 -8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.380 9.451 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.655 10.821 -8.254 1.00 0.00 H new ATOM 138 N ILE A 13 -4.035 3.645 -8.487 1.00 0.00 N ATOM 139 CA ILE A 13 -3.108 2.555 -8.209 1.00 0.00 C ATOM 140 C ILE A 13 -1.754 3.087 -7.753 1.00 0.00 C ATOM 141 O ILE A 13 -1.344 4.183 -8.139 1.00 0.00 O ATOM 142 CB ILE A 13 -2.905 1.659 -9.445 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.277 2.462 -10.586 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.230 1.053 -9.883 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.470 1.616 -11.546 1.00 0.00 C ATOM 0 H ILE A 13 -4.211 3.806 -9.479 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.551 1.962 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.227 0.848 -9.180 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.066 2.972 -11.139 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.633 3.234 -10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.070 0.422 -10.758 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.641 0.452 -9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.930 1.850 -10.134 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.054 2.250 -12.329 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.659 1.127 -11.007 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.114 0.860 -11.995 1.00 0.00 H new ATOM 157 N LEU A 14 -1.063 2.305 -6.932 1.00 0.00 N ATOM 158 CA LEU A 14 0.248 2.696 -6.425 1.00 0.00 C ATOM 159 C LEU A 14 1.195 3.039 -7.570 1.00 0.00 C ATOM 160 O LEU A 14 1.138 2.432 -8.639 1.00 0.00 O ATOM 161 CB LEU A 14 0.843 1.573 -5.574 1.00 0.00 C ATOM 162 CG LEU A 14 0.084 1.227 -4.293 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.258 -0.245 -3.950 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.554 2.104 -3.141 1.00 0.00 C ATOM 0 H LEU A 14 -1.388 1.396 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 14 0.121 3.584 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.908 0.675 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.862 1.849 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.976 1.417 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.289 -0.473 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.128 -0.857 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.316 -0.462 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.003 1.844 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.620 1.946 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.377 3.151 -3.385 1.00 0.00 H new ATOM 176 N ASP A 15 2.066 4.015 -7.338 1.00 0.00 N ATOM 177 CA ASP A 15 3.029 4.437 -8.349 1.00 0.00 C ATOM 178 C ASP A 15 3.781 3.238 -8.917 1.00 0.00 C ATOM 179 O ASP A 15 3.885 2.184 -8.288 1.00 0.00 O ATOM 180 CB ASP A 15 4.018 5.440 -7.754 1.00 0.00 C ATOM 181 CG ASP A 15 3.422 6.827 -7.612 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.317 6.942 -7.043 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.061 7.797 -8.071 1.00 0.00 O ATOM 0 H ASP A 15 2.125 4.529 -6.459 1.00 0.00 H new ATOM 0 HA ASP A 15 2.481 4.916 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.345 5.087 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.904 5.492 -8.387 1.00 0.00 H new ATOM 188 N PRO A 16 4.317 3.398 -10.136 1.00 0.00 N ATOM 189 CA PRO A 16 5.068 2.339 -10.816 1.00 0.00 C ATOM 190 C PRO A 16 6.414 2.065 -10.153 1.00 0.00 C ATOM 191 O PRO A 16 7.060 1.056 -10.433 1.00 0.00 O ATOM 192 CB PRO A 16 5.271 2.898 -12.227 1.00 0.00 C ATOM 193 CG PRO A 16 5.206 4.377 -12.061 1.00 0.00 C ATOM 194 CD PRO A 16 4.231 4.627 -10.944 1.00 0.00 C ATOM 0 HA PRO A 16 4.540 1.386 -10.792 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.230 2.588 -12.642 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.499 2.542 -12.909 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.187 4.786 -11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.876 4.859 -12.982 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.502 5.509 -10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.221 4.791 -11.321 1.00 0.00 H new ATOM 202 N ALA A 17 6.830 2.971 -9.274 1.00 0.00 N ATOM 203 CA ALA A 17 8.098 2.825 -8.570 1.00 0.00 C ATOM 204 C ALA A 17 8.270 3.916 -7.519 1.00 0.00 C ATOM 205 O ALA A 17 7.966 5.083 -7.766 1.00 0.00 O ATOM 206 CB ALA A 17 9.256 2.851 -9.556 1.00 0.00 C ATOM 0 H ALA A 17 6.308 3.813 -9.033 1.00 0.00 H new ATOM 0 HA ALA A 17 8.093 1.862 -8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.196 2.741 -9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.148 2.031 -10.266 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.255 3.799 -10.093 1.00 0.00 H new ATOM 212 N TYR A 18 8.759 3.529 -6.346 1.00 0.00 N ATOM 213 CA TYR A 18 8.969 4.475 -5.256 1.00 0.00 C ATOM 214 C TYR A 18 10.457 4.723 -5.030 1.00 0.00 C ATOM 215 O TYR A 18 11.303 3.966 -5.504 1.00 0.00 O ATOM 216 CB TYR A 18 8.327 3.953 -3.969 1.00 0.00 C ATOM 217 CG TYR A 18 6.817 4.035 -3.971 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.066 3.369 -4.932 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.141 4.776 -3.010 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.687 3.441 -4.937 1.00 0.00 C ATOM 221 CE2 TYR A 18 4.761 4.853 -3.006 1.00 0.00 C ATOM 222 CZ TYR A 18 4.039 4.184 -3.972 1.00 0.00 C ATOM 223 OH TYR A 18 2.665 4.258 -3.973 1.00 0.00 O ATOM 0 H TYR A 18 9.017 2.567 -6.126 1.00 0.00 H new ATOM 0 HA TYR A 18 8.499 5.419 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.626 2.916 -3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.713 4.522 -3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.570 2.785 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.704 5.301 -2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.119 2.918 -5.692 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.251 5.433 -2.251 1.00 0.00 H new ATOM 0 HH TYR A 18 2.386 5.171 -3.752 1.00 0.00 H new ATOM 233 N GLN A 19 10.768 5.790 -4.300 1.00 0.00 N ATOM 234 CA GLN A 19 12.154 6.139 -4.010 1.00 0.00 C ATOM 235 C GLN A 19 12.275 6.794 -2.638 1.00 0.00 C ATOM 236 O GLN A 19 11.688 7.847 -2.387 1.00 0.00 O ATOM 237 CB GLN A 19 12.701 7.079 -5.086 1.00 0.00 C ATOM 238 CG GLN A 19 12.682 6.480 -6.484 1.00 0.00 C ATOM 239 CD GLN A 19 11.346 6.660 -7.177 1.00 0.00 C ATOM 240 OE1 GLN A 19 10.695 7.696 -7.037 1.00 0.00 O ATOM 241 NE2 GLN A 19 10.929 5.649 -7.931 1.00 0.00 N ATOM 0 H GLN A 19 10.080 6.427 -3.899 1.00 0.00 H new ATOM 0 HA GLN A 19 12.740 5.220 -4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.115 7.998 -5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.725 7.353 -4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.464 6.944 -7.085 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.915 5.417 -6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.501 4.809 -8.019 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.037 5.713 -8.422 1.00 0.00 H new ATOM 250 N VAL A 20 13.039 6.163 -1.752 1.00 0.00 N ATOM 251 CA VAL A 20 13.238 6.684 -0.405 1.00 0.00 C ATOM 252 C VAL A 20 14.659 6.423 0.081 1.00 0.00 C ATOM 253 O VAL A 20 15.345 5.533 -0.423 1.00 0.00 O ATOM 254 CB VAL A 20 12.243 6.058 0.591 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.645 4.629 0.921 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.153 6.901 1.854 1.00 0.00 C ATOM 0 H VAL A 20 13.530 5.290 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 20 13.066 7.759 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 20 11.257 6.034 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.931 4.204 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.653 4.033 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.640 4.624 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.446 6.444 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.135 6.959 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.814 7.905 1.598 1.00 0.00 H new ATOM 266 N ASP A 21 15.094 7.203 1.064 1.00 0.00 N ATOM 267 CA ASP A 21 16.434 7.056 1.620 1.00 0.00 C ATOM 268 C ASP A 21 16.500 5.866 2.572 1.00 0.00 C ATOM 269 O ASP A 21 15.506 5.506 3.203 1.00 0.00 O ATOM 270 CB ASP A 21 16.849 8.333 2.352 1.00 0.00 C ATOM 271 CG ASP A 21 17.270 9.436 1.401 1.00 0.00 C ATOM 272 OD1 ASP A 21 16.433 9.859 0.577 1.00 0.00 O ATOM 273 OD2 ASP A 21 18.437 9.874 1.479 1.00 0.00 O ATOM 0 H ASP A 21 14.538 7.943 1.492 1.00 0.00 H new ATOM 0 HA ASP A 21 17.125 6.878 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.018 8.683 2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.672 8.108 3.030 1.00 0.00 H new ATOM 278 N LYS A 22 17.677 5.256 2.669 1.00 0.00 N ATOM 279 CA LYS A 22 17.873 4.106 3.543 1.00 0.00 C ATOM 280 C LYS A 22 17.282 4.366 4.925 1.00 0.00 C ATOM 281 O LYS A 22 17.170 5.512 5.358 1.00 0.00 O ATOM 282 CB LYS A 22 19.364 3.783 3.667 1.00 0.00 C ATOM 283 CG LYS A 22 19.642 2.355 4.105 1.00 0.00 C ATOM 284 CD LYS A 22 21.125 2.125 4.346 1.00 0.00 C ATOM 285 CE LYS A 22 21.519 2.478 5.772 1.00 0.00 C ATOM 286 NZ LYS A 22 22.784 1.807 6.180 1.00 0.00 N ATOM 0 H LYS A 22 18.510 5.540 2.153 1.00 0.00 H new ATOM 0 HA LYS A 22 17.358 3.253 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.847 3.960 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 22 19.818 4.469 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.086 2.138 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.285 1.663 3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.369 1.081 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.706 2.727 3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 22 21.636 3.558 5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.718 2.188 6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.018 2.073 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 22.665 0.776 6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.554 2.103 5.547 1.00 0.00 H new ATOM 300 N GLY A 23 16.907 3.292 5.615 1.00 0.00 N ATOM 301 CA GLY A 23 16.333 3.426 6.941 1.00 0.00 C ATOM 302 C GLY A 23 15.469 4.664 7.077 1.00 0.00 C ATOM 303 O GLY A 23 15.423 5.283 8.139 1.00 0.00 O ATOM 0 H GLY A 23 16.991 2.333 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.735 2.543 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.135 3.464 7.678 1.00 0.00 H new ATOM 307 N GLY A 24 14.784 5.027 5.997 1.00 0.00 N ATOM 308 CA GLY A 24 13.928 6.199 6.021 1.00 0.00 C ATOM 309 C GLY A 24 12.467 5.846 6.221 1.00 0.00 C ATOM 310 O GLY A 24 12.142 4.912 6.954 1.00 0.00 O ATOM 0 H GLY A 24 14.806 4.531 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.251 6.864 6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.041 6.747 5.086 1.00 0.00 H new ATOM 314 N ARG A 25 11.584 6.596 5.570 1.00 0.00 N ATOM 315 CA ARG A 25 10.150 6.359 5.682 1.00 0.00 C ATOM 316 C ARG A 25 9.449 6.629 4.353 1.00 0.00 C ATOM 317 O ARG A 25 9.507 7.738 3.823 1.00 0.00 O ATOM 318 CB ARG A 25 9.550 7.243 6.776 1.00 0.00 C ATOM 319 CG ARG A 25 8.219 6.735 7.308 1.00 0.00 C ATOM 320 CD ARG A 25 7.613 7.705 8.310 1.00 0.00 C ATOM 321 NE ARG A 25 6.750 8.691 7.664 1.00 0.00 N ATOM 322 CZ ARG A 25 6.302 9.785 8.270 1.00 0.00 C ATOM 323 NH1 ARG A 25 6.635 10.032 9.530 1.00 0.00 N ATOM 324 NH2 ARG A 25 5.521 10.635 7.616 1.00 0.00 N ATOM 0 H ARG A 25 11.837 7.373 4.959 1.00 0.00 H new ATOM 0 HA ARG A 25 9.999 5.312 5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.258 7.316 7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.414 8.251 6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.527 6.587 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.362 5.763 7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.038 7.149 9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.411 8.218 8.846 1.00 0.00 H new ATOM 0 HE ARG A 25 6.476 8.531 6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.236 9.381 10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.290 10.873 9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.264 10.449 6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.178 11.475 8.083 1.00 0.00 H new ATOM 338 N VAL A 26 8.787 5.606 3.821 1.00 0.00 N ATOM 339 CA VAL A 26 8.074 5.732 2.556 1.00 0.00 C ATOM 340 C VAL A 26 6.613 6.103 2.783 1.00 0.00 C ATOM 341 O VAL A 26 6.117 6.052 3.908 1.00 0.00 O ATOM 342 CB VAL A 26 8.141 4.427 1.742 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.584 4.074 1.415 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.464 3.293 2.497 1.00 0.00 C ATOM 0 H VAL A 26 8.730 4.681 4.247 1.00 0.00 H new ATOM 0 HA VAL A 26 8.564 6.527 1.994 1.00 0.00 H new ATOM 0 HB VAL A 26 7.608 4.577 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.611 3.149 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.032 4.878 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.145 3.942 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.521 2.378 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.967 3.141 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.419 3.547 2.674 1.00 0.00 H new ATOM 354 N ARG A 27 5.929 6.476 1.706 1.00 0.00 N ATOM 355 CA ARG A 27 4.524 6.857 1.788 1.00 0.00 C ATOM 356 C ARG A 27 3.740 6.297 0.604 1.00 0.00 C ATOM 357 O ARG A 27 3.884 6.764 -0.526 1.00 0.00 O ATOM 358 CB ARG A 27 4.387 8.380 1.829 1.00 0.00 C ATOM 359 CG ARG A 27 2.949 8.860 1.927 1.00 0.00 C ATOM 360 CD ARG A 27 2.877 10.356 2.192 1.00 0.00 C ATOM 361 NE ARG A 27 1.653 10.948 1.659 1.00 0.00 N ATOM 362 CZ ARG A 27 1.422 11.115 0.362 1.00 0.00 C ATOM 363 NH1 ARG A 27 2.326 10.735 -0.531 1.00 0.00 N ATOM 364 NH2 ARG A 27 0.284 11.662 -0.046 1.00 0.00 N ATOM 0 H ARG A 27 6.325 6.522 0.767 1.00 0.00 H new ATOM 0 HA ARG A 27 4.113 6.438 2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.948 8.764 2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.841 8.801 0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.423 8.628 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.439 8.323 2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.929 10.537 3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.742 10.846 1.744 1.00 0.00 H new ATOM 0 HE ARG A 27 0.936 11.250 2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.202 10.313 -0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.145 10.865 -1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.415 11.955 0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.108 11.790 -1.043 1.00 0.00 H new ATOM 378 N PHE A 28 2.910 5.295 0.872 1.00 0.00 N ATOM 379 CA PHE A 28 2.104 4.670 -0.170 1.00 0.00 C ATOM 380 C PHE A 28 0.646 5.111 -0.069 1.00 0.00 C ATOM 381 O PHE A 28 -0.072 4.715 0.849 1.00 0.00 O ATOM 382 CB PHE A 28 2.195 3.146 -0.071 1.00 0.00 C ATOM 383 CG PHE A 28 3.522 2.595 -0.508 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.695 3.020 0.093 1.00 0.00 C ATOM 385 CD2 PHE A 28 3.595 1.652 -1.521 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.918 2.515 -0.308 1.00 0.00 C ATOM 387 CE2 PHE A 28 4.815 1.143 -1.926 1.00 0.00 C ATOM 388 CZ PHE A 28 5.978 1.574 -1.318 1.00 0.00 C ATOM 0 H PHE A 28 2.778 4.898 1.802 1.00 0.00 H new ATOM 0 HA PHE A 28 2.496 4.988 -1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.007 2.845 0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.408 2.703 -0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.654 3.754 0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.689 1.311 -1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.826 2.856 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.859 0.409 -2.717 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.932 1.176 -1.631 1.00 0.00 H new ATOM 398 N VAL A 29 0.217 5.936 -1.019 1.00 0.00 N ATOM 399 CA VAL A 29 -1.154 6.432 -1.038 1.00 0.00 C ATOM 400 C VAL A 29 -1.977 5.732 -2.114 1.00 0.00 C ATOM 401 O VAL A 29 -1.493 5.485 -3.218 1.00 0.00 O ATOM 402 CB VAL A 29 -1.198 7.952 -1.281 1.00 0.00 C ATOM 403 CG1 VAL A 29 -2.637 8.443 -1.337 1.00 0.00 C ATOM 404 CG2 VAL A 29 -0.417 8.687 -0.202 1.00 0.00 C ATOM 0 H VAL A 29 0.799 6.275 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.582 6.216 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.730 8.162 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.648 9.519 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.162 7.940 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.134 8.222 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.459 9.760 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.853 8.472 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.622 8.357 -0.216 1.00 0.00 H new ATOM 414 N VAL A 30 -3.225 5.415 -1.784 1.00 0.00 N ATOM 415 CA VAL A 30 -4.117 4.745 -2.723 1.00 0.00 C ATOM 416 C VAL A 30 -5.551 5.237 -2.565 1.00 0.00 C ATOM 417 O VAL A 30 -6.015 5.480 -1.451 1.00 0.00 O ATOM 418 CB VAL A 30 -4.086 3.217 -2.533 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.701 2.669 -2.842 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.512 2.847 -1.121 1.00 0.00 C ATOM 0 H VAL A 30 -3.641 5.611 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.762 4.986 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.793 2.767 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.698 1.588 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.439 2.902 -3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.972 3.124 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.484 1.764 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.832 3.307 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.526 3.205 -0.941 1.00 0.00 H new ATOM 430 N GLU A 31 -6.249 5.381 -3.687 1.00 0.00 N ATOM 431 CA GLU A 31 -7.632 5.844 -3.673 1.00 0.00 C ATOM 432 C GLU A 31 -8.591 4.704 -4.002 1.00 0.00 C ATOM 433 O GLU A 31 -8.224 3.746 -4.684 1.00 0.00 O ATOM 434 CB GLU A 31 -7.820 6.989 -4.670 1.00 0.00 C ATOM 435 CG GLU A 31 -7.543 8.361 -4.081 1.00 0.00 C ATOM 436 CD GLU A 31 -6.067 8.602 -3.831 1.00 0.00 C ATOM 437 OE1 GLU A 31 -5.447 7.788 -3.116 1.00 0.00 O ATOM 438 OE2 GLU A 31 -5.532 9.604 -4.350 1.00 0.00 O ATOM 0 H GLU A 31 -5.880 5.184 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.857 6.206 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.160 6.829 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.842 6.965 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.923 9.126 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.088 8.466 -3.143 1.00 0.00 H new ATOM 445 N LEU A 32 -9.821 4.814 -3.514 1.00 0.00 N ATOM 446 CA LEU A 32 -10.835 3.793 -3.755 1.00 0.00 C ATOM 447 C LEU A 32 -12.113 4.415 -4.309 1.00 0.00 C ATOM 448 O LEU A 32 -12.590 5.431 -3.804 1.00 0.00 O ATOM 449 CB LEU A 32 -11.141 3.035 -2.463 1.00 0.00 C ATOM 450 CG LEU A 32 -9.930 2.527 -1.680 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.265 2.401 -0.201 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.457 1.192 -2.237 1.00 0.00 C ATOM 0 H LEU A 32 -10.141 5.600 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.443 3.094 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.722 3.688 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.775 2.182 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.122 3.250 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.391 2.038 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.555 3.376 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.089 1.699 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.594 0.845 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.261 0.460 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.176 1.313 -3.283 1.00 0.00 H new ATOM 464 N ALA A 33 -12.665 3.796 -5.348 1.00 0.00 N ATOM 465 CA ALA A 33 -13.890 4.286 -5.967 1.00 0.00 C ATOM 466 C ALA A 33 -15.006 4.428 -4.937 1.00 0.00 C ATOM 467 O ALA A 33 -15.869 5.298 -5.060 1.00 0.00 O ATOM 468 CB ALA A 33 -14.321 3.356 -7.091 1.00 0.00 C ATOM 0 H ALA A 33 -12.283 2.954 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.689 5.273 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.237 3.734 -7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.536 3.308 -7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.499 2.358 -6.690 1.00 0.00 H new ATOM 474 N ASP A 34 -14.983 3.569 -3.925 1.00 0.00 N ATOM 475 CA ASP A 34 -15.994 3.599 -2.873 1.00 0.00 C ATOM 476 C ASP A 34 -15.444 3.018 -1.575 1.00 0.00 C ATOM 477 O ASP A 34 -14.662 2.067 -1.573 1.00 0.00 O ATOM 478 CB ASP A 34 -17.237 2.822 -3.309 1.00 0.00 C ATOM 479 CG ASP A 34 -18.215 3.681 -4.086 1.00 0.00 C ATOM 480 OD1 ASP A 34 -18.786 4.618 -3.489 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.408 3.418 -5.291 1.00 0.00 O ATOM 0 H ASP A 34 -14.276 2.843 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.269 4.639 -2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.935 1.974 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.735 2.416 -2.429 1.00 0.00 H new ATOM 486 N PRO A 35 -15.860 3.602 -0.441 1.00 0.00 N ATOM 487 CA PRO A 35 -15.422 3.159 0.885 1.00 0.00 C ATOM 488 C PRO A 35 -15.996 1.798 1.261 1.00 0.00 C ATOM 489 O PRO A 35 -15.651 1.231 2.298 1.00 0.00 O ATOM 490 CB PRO A 35 -15.964 4.245 1.819 1.00 0.00 C ATOM 491 CG PRO A 35 -17.132 4.818 1.095 1.00 0.00 C ATOM 492 CD PRO A 35 -16.792 4.741 -0.368 1.00 0.00 C ATOM 0 HA PRO A 35 -14.340 3.034 0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.260 3.828 2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.210 5.006 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.040 4.257 1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.312 5.849 1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.679 4.574 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.330 5.662 -0.722 1.00 0.00 H new ATOM 500 N LYS A 36 -16.875 1.277 0.411 1.00 0.00 N ATOM 501 CA LYS A 36 -17.497 -0.020 0.653 1.00 0.00 C ATOM 502 C LYS A 36 -16.492 -1.150 0.460 1.00 0.00 C ATOM 503 O LYS A 36 -16.556 -2.175 1.140 1.00 0.00 O ATOM 504 CB LYS A 36 -18.690 -0.218 -0.285 1.00 0.00 C ATOM 505 CG LYS A 36 -20.005 0.282 0.288 1.00 0.00 C ATOM 506 CD LYS A 36 -20.236 1.747 -0.043 1.00 0.00 C ATOM 507 CE LYS A 36 -21.472 2.288 0.659 1.00 0.00 C ATOM 508 NZ LYS A 36 -21.253 2.450 2.123 1.00 0.00 N ATOM 0 H LYS A 36 -17.173 1.733 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.846 -0.041 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.493 0.299 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.785 -1.278 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -20.826 -0.315 -0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.006 0.148 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.364 2.330 0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.348 1.865 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.745 3.250 0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.310 1.612 0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.041 2.989 2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.203 1.513 2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -20.362 2.961 2.286 1.00 0.00 H new ATOM 522 N LEU A 37 -15.563 -0.957 -0.470 1.00 0.00 N ATOM 523 CA LEU A 37 -14.542 -1.960 -0.752 1.00 0.00 C ATOM 524 C LEU A 37 -13.527 -2.038 0.384 1.00 0.00 C ATOM 525 O LEU A 37 -13.425 -1.123 1.201 1.00 0.00 O ATOM 526 CB LEU A 37 -13.829 -1.636 -2.066 1.00 0.00 C ATOM 527 CG LEU A 37 -14.710 -1.594 -3.315 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.091 -0.696 -4.375 1.00 0.00 C ATOM 529 CD2 LEU A 37 -14.928 -2.997 -3.862 1.00 0.00 C ATOM 0 H LEU A 37 -15.496 -0.115 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.035 -2.928 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.337 -0.669 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.045 -2.377 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.679 -1.180 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.732 -0.678 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.989 0.315 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.108 -1.080 -4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.557 -2.947 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.966 -3.439 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.417 -3.611 -3.105 1.00 0.00 H new ATOM 541 N GLU A 38 -12.778 -3.135 0.428 1.00 0.00 N ATOM 542 CA GLU A 38 -11.770 -3.331 1.464 1.00 0.00 C ATOM 543 C GLU A 38 -10.365 -3.155 0.896 1.00 0.00 C ATOM 544 O GLU A 38 -10.180 -3.068 -0.318 1.00 0.00 O ATOM 545 CB GLU A 38 -11.910 -4.722 2.086 1.00 0.00 C ATOM 546 CG GLU A 38 -12.969 -4.799 3.173 1.00 0.00 C ATOM 547 CD GLU A 38 -14.363 -5.007 2.615 1.00 0.00 C ATOM 548 OE1 GLU A 38 -14.570 -6.005 1.894 1.00 0.00 O ATOM 549 OE2 GLU A 38 -15.247 -4.172 2.899 1.00 0.00 O ATOM 0 H GLU A 38 -12.850 -3.901 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.928 -2.578 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.154 -5.439 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.949 -5.022 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.728 -5.616 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.950 -3.881 3.760 1.00 0.00 H new ATOM 556 N VAL A 39 -9.377 -3.101 1.783 1.00 0.00 N ATOM 557 CA VAL A 39 -7.988 -2.936 1.372 1.00 0.00 C ATOM 558 C VAL A 39 -7.059 -3.807 2.209 1.00 0.00 C ATOM 559 O VAL A 39 -7.232 -3.933 3.422 1.00 0.00 O ATOM 560 CB VAL A 39 -7.539 -1.467 1.488 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.240 -0.610 0.445 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.805 -0.938 2.890 1.00 0.00 C ATOM 0 H VAL A 39 -9.513 -3.169 2.792 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.929 -3.246 0.329 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.466 -1.418 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.910 0.424 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.995 -0.977 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.318 -0.663 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.482 0.101 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.872 -1.000 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.252 -1.535 3.615 1.00 0.00 H new ATOM 572 N LYS A 40 -6.071 -4.408 1.555 1.00 0.00 N ATOM 573 CA LYS A 40 -5.111 -5.267 2.238 1.00 0.00 C ATOM 574 C LYS A 40 -3.721 -5.125 1.626 1.00 0.00 C ATOM 575 O LYS A 40 -3.539 -5.322 0.424 1.00 0.00 O ATOM 576 CB LYS A 40 -5.564 -6.727 2.169 1.00 0.00 C ATOM 577 CG LYS A 40 -6.626 -7.084 3.194 1.00 0.00 C ATOM 578 CD LYS A 40 -7.377 -8.346 2.804 1.00 0.00 C ATOM 579 CE LYS A 40 -7.896 -9.086 4.027 1.00 0.00 C ATOM 580 NZ LYS A 40 -8.547 -10.375 3.660 1.00 0.00 N ATOM 0 H LYS A 40 -5.914 -4.316 0.551 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.062 -4.957 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.951 -6.932 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.699 -7.374 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.159 -7.224 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.329 -6.257 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.212 -8.087 2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.718 -9.001 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.071 -9.278 4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.611 -8.456 4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.887 -10.849 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.350 -10.190 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.858 -10.987 3.177 1.00 0.00 H new ATOM 594 N TRP A 41 -2.745 -4.784 2.459 1.00 0.00 N ATOM 595 CA TRP A 41 -1.371 -4.618 1.999 1.00 0.00 C ATOM 596 C TRP A 41 -0.560 -5.887 2.236 1.00 0.00 C ATOM 597 O TRP A 41 -0.593 -6.461 3.325 1.00 0.00 O ATOM 598 CB TRP A 41 -0.712 -3.436 2.712 1.00 0.00 C ATOM 599 CG TRP A 41 -1.407 -2.131 2.464 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.609 -1.733 2.974 1.00 0.00 C ATOM 601 CD2 TRP A 41 -0.940 -1.054 1.644 1.00 0.00 C ATOM 602 NE1 TRP A 41 -2.919 -0.473 2.520 1.00 0.00 N ATOM 603 CE2 TRP A 41 -1.911 -0.035 1.703 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.203 -0.851 0.866 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.771 1.167 1.013 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.340 0.342 0.182 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.642 1.339 0.260 1.00 0.00 C ATOM 0 H TRP A 41 -2.879 -4.617 3.456 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.395 -4.420 0.927 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.694 -3.632 3.784 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.325 -3.355 2.385 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.226 -2.322 3.637 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.763 0.051 2.754 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.966 -1.613 0.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.527 1.936 1.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.219 0.509 -0.423 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.505 2.261 -0.285 1.00 0.00 H new ATOM 618 N TYR A 42 0.167 -6.319 1.212 1.00 0.00 N ATOM 619 CA TYR A 42 0.985 -7.522 1.309 1.00 0.00 C ATOM 620 C TYR A 42 2.420 -7.242 0.873 1.00 0.00 C ATOM 621 O TYR A 42 2.667 -6.389 0.021 1.00 0.00 O ATOM 622 CB TYR A 42 0.389 -8.640 0.453 1.00 0.00 C ATOM 623 CG TYR A 42 -0.985 -9.083 0.905 1.00 0.00 C ATOM 624 CD1 TYR A 42 -2.128 -8.435 0.453 1.00 0.00 C ATOM 625 CD2 TYR A 42 -1.139 -10.148 1.783 1.00 0.00 C ATOM 626 CE1 TYR A 42 -3.385 -8.836 0.864 1.00 0.00 C ATOM 627 CE2 TYR A 42 -2.392 -10.556 2.198 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.511 -9.897 1.736 1.00 0.00 C ATOM 629 OH TYR A 42 -4.762 -10.299 2.147 1.00 0.00 O ATOM 0 H TYR A 42 0.207 -5.854 0.305 1.00 0.00 H new ATOM 0 HA TYR A 42 0.997 -7.839 2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.330 -8.302 -0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.062 -9.497 0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.033 -7.604 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.264 -10.666 2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.264 -8.321 0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.494 -11.387 2.881 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.677 -11.060 2.759 1.00 0.00 H new ATOM 639 N LYS A 43 3.363 -7.968 1.464 1.00 0.00 N ATOM 640 CA LYS A 43 4.774 -7.801 1.137 1.00 0.00 C ATOM 641 C LYS A 43 5.438 -9.152 0.888 1.00 0.00 C ATOM 642 O LYS A 43 5.698 -9.908 1.823 1.00 0.00 O ATOM 643 CB LYS A 43 5.498 -7.066 2.268 1.00 0.00 C ATOM 644 CG LYS A 43 7.012 -7.126 2.162 1.00 0.00 C ATOM 645 CD LYS A 43 7.681 -6.404 3.319 1.00 0.00 C ATOM 646 CE LYS A 43 9.197 -6.473 3.218 1.00 0.00 C ATOM 647 NZ LYS A 43 9.846 -6.416 4.557 1.00 0.00 N ATOM 0 H LYS A 43 3.175 -8.678 2.172 1.00 0.00 H new ATOM 0 HA LYS A 43 4.842 -7.208 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.184 -6.022 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.192 -7.494 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.335 -8.167 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.330 -6.679 1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.363 -5.361 3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.358 -6.847 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.486 -7.395 2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.558 -5.648 2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.879 -6.466 4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.592 -5.525 5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.522 -7.218 5.134 1.00 0.00 H new ATOM 661 N ASN A 44 5.712 -9.447 -0.378 1.00 0.00 N ATOM 662 CA ASN A 44 6.347 -10.706 -0.750 1.00 0.00 C ATOM 663 C ASN A 44 5.437 -11.889 -0.431 1.00 0.00 C ATOM 664 O ASN A 44 5.889 -12.915 0.074 1.00 0.00 O ATOM 665 CB ASN A 44 7.681 -10.864 -0.019 1.00 0.00 C ATOM 666 CG ASN A 44 8.633 -9.717 -0.300 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.870 -8.868 0.559 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.184 -9.688 -1.508 1.00 0.00 N ATOM 0 H ASN A 44 5.504 -8.831 -1.164 1.00 0.00 H new ATOM 0 HA ASN A 44 6.529 -10.689 -1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.499 -10.927 1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.148 -11.802 -0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.833 -8.941 -1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.958 -10.413 -2.189 1.00 0.00 H new ATOM 675 N GLY A 45 4.150 -11.737 -0.731 1.00 0.00 N ATOM 676 CA GLY A 45 3.197 -12.800 -0.470 1.00 0.00 C ATOM 677 C GLY A 45 2.953 -13.008 1.012 1.00 0.00 C ATOM 678 O GLY A 45 2.762 -14.138 1.462 1.00 0.00 O ATOM 0 H GLY A 45 3.751 -10.897 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.253 -12.566 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.563 -13.728 -0.909 1.00 0.00 H new ATOM 682 N GLN A 46 2.960 -11.917 1.771 1.00 0.00 N ATOM 683 CA GLN A 46 2.740 -11.987 3.210 1.00 0.00 C ATOM 684 C GLN A 46 1.884 -10.818 3.688 1.00 0.00 C ATOM 685 O GLN A 46 2.249 -9.657 3.507 1.00 0.00 O ATOM 686 CB GLN A 46 4.077 -11.993 3.953 1.00 0.00 C ATOM 687 CG GLN A 46 4.763 -13.349 3.960 1.00 0.00 C ATOM 688 CD GLN A 46 4.169 -14.298 4.983 1.00 0.00 C ATOM 689 OE1 GLN A 46 3.225 -13.951 5.694 1.00 0.00 O ATOM 690 NE2 GLN A 46 4.719 -15.504 5.062 1.00 0.00 N ATOM 0 H GLN A 46 3.116 -10.975 1.413 1.00 0.00 H new ATOM 0 HA GLN A 46 2.209 -12.914 3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.742 -11.261 3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.913 -11.673 4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.687 -13.796 2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.824 -13.214 4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.500 -15.749 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.361 -16.185 5.731 1.00 0.00 H new ATOM 699 N GLU A 47 0.746 -11.134 4.297 1.00 0.00 N ATOM 700 CA GLU A 47 -0.161 -10.108 4.799 1.00 0.00 C ATOM 701 C GLU A 47 0.551 -9.188 5.786 1.00 0.00 C ATOM 702 O GLU A 47 1.195 -9.650 6.729 1.00 0.00 O ATOM 703 CB GLU A 47 -1.374 -10.754 5.472 1.00 0.00 C ATOM 704 CG GLU A 47 -2.509 -9.781 5.744 1.00 0.00 C ATOM 705 CD GLU A 47 -3.665 -10.425 6.485 1.00 0.00 C ATOM 706 OE1 GLU A 47 -3.421 -11.391 7.238 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.812 -9.963 6.312 1.00 0.00 O ATOM 0 H GLU A 47 0.430 -12.091 4.455 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.499 -9.512 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.743 -11.562 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.060 -11.205 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.131 -8.942 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.869 -9.375 4.799 1.00 0.00 H new ATOM 714 N ILE A 48 0.431 -7.884 5.562 1.00 0.00 N ATOM 715 CA ILE A 48 1.062 -6.898 6.431 1.00 0.00 C ATOM 716 C ILE A 48 0.112 -6.450 7.536 1.00 0.00 C ATOM 717 O ILE A 48 -1.092 -6.314 7.315 1.00 0.00 O ATOM 718 CB ILE A 48 1.528 -5.664 5.637 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.500 -6.078 4.531 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.176 -4.649 6.567 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.514 -5.130 3.352 1.00 0.00 C ATOM 0 H ILE A 48 -0.097 -7.485 4.786 1.00 0.00 H new ATOM 0 HA ILE A 48 1.931 -7.381 6.877 1.00 0.00 H new ATOM 0 HB ILE A 48 0.658 -5.199 5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.505 -6.142 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.236 -7.076 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.500 -3.782 5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.455 -4.334 7.321 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.038 -5.102 7.056 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.226 -5.486 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.519 -5.084 2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.808 -4.136 3.688 1.00 0.00 H new ATOM 733 N ARG A 49 0.660 -6.220 8.724 1.00 0.00 N ATOM 734 CA ARG A 49 -0.139 -5.786 9.864 1.00 0.00 C ATOM 735 C ARG A 49 0.285 -4.395 10.327 1.00 0.00 C ATOM 736 O ARG A 49 1.452 -4.014 10.241 1.00 0.00 O ATOM 737 CB ARG A 49 -0.004 -6.782 11.017 1.00 0.00 C ATOM 738 CG ARG A 49 1.405 -6.879 11.577 1.00 0.00 C ATOM 739 CD ARG A 49 2.217 -7.946 10.860 1.00 0.00 C ATOM 740 NE ARG A 49 3.654 -7.714 10.981 1.00 0.00 N ATOM 741 CZ ARG A 49 4.575 -8.567 10.546 1.00 0.00 C ATOM 742 NH1 ARG A 49 4.212 -9.701 9.964 1.00 0.00 N ATOM 743 NH2 ARG A 49 5.864 -8.284 10.692 1.00 0.00 N ATOM 0 H ARG A 49 1.655 -6.327 8.923 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.182 -5.743 9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.685 -6.492 11.818 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.318 -7.768 10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.903 -5.914 11.480 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.360 -7.109 12.642 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.972 -8.925 11.271 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.940 -7.965 9.806 1.00 0.00 H new ATOM 0 HE ARG A 49 3.967 -6.850 11.424 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.223 -9.921 9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.922 -10.353 9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.147 -7.412 11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.571 -8.939 10.358 1.00 0.00 H new ATOM 757 N PRO A 50 -0.686 -3.617 10.828 1.00 0.00 N ATOM 758 CA PRO A 50 -0.438 -2.257 11.315 1.00 0.00 C ATOM 759 C PRO A 50 0.376 -2.241 12.604 1.00 0.00 C ATOM 760 O PRO A 50 -0.047 -2.786 13.623 1.00 0.00 O ATOM 761 CB PRO A 50 -1.845 -1.707 11.564 1.00 0.00 C ATOM 762 CG PRO A 50 -2.684 -2.913 11.812 1.00 0.00 C ATOM 763 CD PRO A 50 -2.100 -4.006 10.961 1.00 0.00 C ATOM 0 HA PRO A 50 0.145 -1.670 10.605 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.860 -1.031 12.419 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.207 -1.142 10.705 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.669 -3.189 12.866 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.725 -2.726 11.547 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.205 -4.983 11.433 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.593 -4.067 9.991 1.00 0.00 H new ATOM 771 N SER A 51 1.547 -1.613 12.552 1.00 0.00 N ATOM 772 CA SER A 51 2.422 -1.530 13.716 1.00 0.00 C ATOM 773 C SER A 51 3.384 -0.353 13.588 1.00 0.00 C ATOM 774 O SER A 51 3.465 0.288 12.540 1.00 0.00 O ATOM 775 CB SER A 51 3.209 -2.831 13.883 1.00 0.00 C ATOM 776 OG SER A 51 4.282 -2.900 12.960 1.00 0.00 O ATOM 0 H SER A 51 1.911 -1.155 11.717 1.00 0.00 H new ATOM 0 HA SER A 51 1.800 -1.375 14.598 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.595 -2.898 14.900 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.545 -3.683 13.737 1.00 0.00 H new ATOM 0 HG SER A 51 4.770 -3.740 13.088 1.00 0.00 H new ATOM 782 N THR A 52 4.114 -0.074 14.664 1.00 0.00 N ATOM 783 CA THR A 52 5.070 1.026 14.674 1.00 0.00 C ATOM 784 C THR A 52 5.749 1.177 13.318 1.00 0.00 C ATOM 785 O THR A 52 5.998 2.292 12.858 1.00 0.00 O ATOM 786 CB THR A 52 6.149 0.821 15.755 1.00 0.00 C ATOM 787 OG1 THR A 52 6.708 -0.493 15.648 1.00 0.00 O ATOM 788 CG2 THR A 52 5.565 1.018 17.146 1.00 0.00 C ATOM 0 H THR A 52 4.061 -0.595 15.539 1.00 0.00 H new ATOM 0 HA THR A 52 4.507 1.932 14.898 1.00 0.00 H new ATOM 0 HB THR A 52 6.933 1.562 15.599 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.394 -0.614 16.338 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.345 0.868 17.893 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.168 2.029 17.234 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.763 0.298 17.309 1.00 0.00 H new ATOM 796 N LYS A 53 6.045 0.050 12.680 1.00 0.00 N ATOM 797 CA LYS A 53 6.693 0.057 11.374 1.00 0.00 C ATOM 798 C LYS A 53 5.707 0.453 10.280 1.00 0.00 C ATOM 799 O LYS A 53 5.994 1.326 9.460 1.00 0.00 O ATOM 800 CB LYS A 53 7.284 -1.322 11.068 1.00 0.00 C ATOM 801 CG LYS A 53 8.070 -1.372 9.770 1.00 0.00 C ATOM 802 CD LYS A 53 9.034 -2.546 9.747 1.00 0.00 C ATOM 803 CE LYS A 53 9.313 -3.010 8.325 1.00 0.00 C ATOM 804 NZ LYS A 53 10.454 -3.966 8.268 1.00 0.00 N ATOM 0 H LYS A 53 5.846 -0.881 13.047 1.00 0.00 H new ATOM 0 HA LYS A 53 7.497 0.793 11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.936 -1.619 11.889 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.476 -2.052 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.381 -1.449 8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.624 -0.442 9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.969 -2.260 10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.618 -3.371 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.421 -3.484 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.531 -2.146 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.613 -4.259 7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.311 -3.506 8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.236 -4.802 8.847 1.00 0.00 H new ATOM 818 N TYR A 54 4.546 -0.192 10.274 1.00 0.00 N ATOM 819 CA TYR A 54 3.519 0.093 9.279 1.00 0.00 C ATOM 820 C TYR A 54 2.405 0.948 9.876 1.00 0.00 C ATOM 821 O TYR A 54 1.680 0.508 10.768 1.00 0.00 O ATOM 822 CB TYR A 54 2.937 -1.210 8.728 1.00 0.00 C ATOM 823 CG TYR A 54 3.975 -2.127 8.121 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.533 -1.850 6.879 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.396 -3.270 8.789 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.480 -2.686 6.320 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.344 -4.110 8.238 1.00 0.00 C ATOM 828 CZ TYR A 54 5.883 -3.814 7.003 1.00 0.00 C ATOM 829 OH TYR A 54 6.827 -4.650 6.451 1.00 0.00 O ATOM 0 H TYR A 54 4.292 -0.916 10.947 1.00 0.00 H new ATOM 0 HA TYR A 54 3.983 0.649 8.464 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.424 -1.738 9.532 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.188 -0.973 7.973 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.221 -0.966 6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.975 -3.506 9.755 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.903 -2.457 5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.662 -4.994 8.771 1.00 0.00 H new ATOM 0 HH TYR A 54 6.999 -5.397 7.061 1.00 0.00 H new ATOM 839 N ILE A 55 2.276 2.173 9.377 1.00 0.00 N ATOM 840 CA ILE A 55 1.250 3.089 9.859 1.00 0.00 C ATOM 841 C ILE A 55 0.078 3.163 8.886 1.00 0.00 C ATOM 842 O ILE A 55 0.186 3.750 7.809 1.00 0.00 O ATOM 843 CB ILE A 55 1.816 4.506 10.071 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.202 4.434 10.714 1.00 0.00 C ATOM 845 CG2 ILE A 55 0.870 5.331 10.931 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.164 4.227 12.212 1.00 0.00 C ATOM 0 H ILE A 55 2.869 2.554 8.640 1.00 0.00 H new ATOM 0 HA ILE A 55 0.902 2.698 10.815 1.00 0.00 H new ATOM 0 HB ILE A 55 1.911 4.992 9.100 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.764 3.619 10.257 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.743 5.355 10.496 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.284 6.330 11.072 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.099 5.406 10.437 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.746 4.849 11.901 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.182 4.186 12.600 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.631 5.054 12.680 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.652 3.291 12.437 1.00 0.00 H new ATOM 858 N PHE A 56 -1.044 2.565 9.274 1.00 0.00 N ATOM 859 CA PHE A 56 -2.238 2.563 8.437 1.00 0.00 C ATOM 860 C PHE A 56 -3.103 3.787 8.721 1.00 0.00 C ATOM 861 O PHE A 56 -3.629 3.946 9.822 1.00 0.00 O ATOM 862 CB PHE A 56 -3.048 1.286 8.671 1.00 0.00 C ATOM 863 CG PHE A 56 -2.468 0.076 7.997 1.00 0.00 C ATOM 864 CD1 PHE A 56 -1.208 -0.387 8.339 1.00 0.00 C ATOM 865 CD2 PHE A 56 -3.183 -0.599 7.020 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.671 -1.500 7.721 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.652 -1.714 6.399 1.00 0.00 C ATOM 868 CZ PHE A 56 -1.394 -2.164 6.749 1.00 0.00 C ATOM 0 H PHE A 56 -1.151 2.076 10.163 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.921 2.598 7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.114 1.098 9.743 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.065 1.440 8.311 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.638 0.128 9.098 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.166 -0.250 6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.312 -1.850 7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.220 -2.233 5.641 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.976 -3.034 6.264 1.00 0.00 H new ATOM 878 N GLU A 57 -3.245 4.649 7.719 1.00 0.00 N ATOM 879 CA GLU A 57 -4.045 5.860 7.862 1.00 0.00 C ATOM 880 C GLU A 57 -5.244 5.834 6.919 1.00 0.00 C ATOM 881 O GLU A 57 -5.088 5.814 5.697 1.00 0.00 O ATOM 882 CB GLU A 57 -3.190 7.099 7.583 1.00 0.00 C ATOM 883 CG GLU A 57 -2.241 7.450 8.716 1.00 0.00 C ATOM 884 CD GLU A 57 -1.811 8.904 8.687 1.00 0.00 C ATOM 885 OE1 GLU A 57 -1.612 9.441 7.577 1.00 0.00 O ATOM 886 OE2 GLU A 57 -1.673 9.504 9.773 1.00 0.00 O ATOM 0 H GLU A 57 -2.817 4.532 6.801 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.412 5.904 8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.612 6.934 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.847 7.948 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.725 7.237 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.359 6.813 8.657 1.00 0.00 H new ATOM 940 N CYS A 61 -11.584 8.041 1.675 1.00 0.00 N ATOM 941 CA CYS A 61 -11.373 7.110 0.573 1.00 0.00 C ATOM 942 C CYS A 61 -9.909 7.099 0.143 1.00 0.00 C ATOM 943 O CYS A 61 -9.603 7.092 -1.049 1.00 0.00 O ATOM 944 CB CYS A 61 -12.263 7.480 -0.614 1.00 0.00 C ATOM 945 SG CYS A 61 -13.972 7.863 -0.164 1.00 0.00 S ATOM 0 HA CYS A 61 -11.639 6.111 0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.831 8.341 -1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.262 6.655 -1.326 1.00 0.00 H new ATOM 0 HG CYS A 61 -14.645 8.166 -1.234 1.00 0.00 H new ATOM 951 N GLN A 62 -9.010 7.100 1.121 1.00 0.00 N ATOM 952 CA GLN A 62 -7.579 7.094 0.843 1.00 0.00 C ATOM 953 C GLN A 62 -6.819 6.322 1.917 1.00 0.00 C ATOM 954 O GLN A 62 -6.699 6.778 3.055 1.00 0.00 O ATOM 955 CB GLN A 62 -7.048 8.526 0.756 1.00 0.00 C ATOM 956 CG GLN A 62 -5.582 8.608 0.363 1.00 0.00 C ATOM 957 CD GLN A 62 -5.006 9.998 0.546 1.00 0.00 C ATOM 958 OE1 GLN A 62 -4.499 10.602 -0.400 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.081 10.514 1.767 1.00 0.00 N ATOM 0 H GLN A 62 -9.247 7.105 2.113 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.423 6.598 -0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.642 9.081 0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.185 9.015 1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.009 7.900 0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.472 8.307 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.510 9.978 2.522 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.710 11.446 1.950 1.00 0.00 H new ATOM 968 N ARG A 63 -6.310 5.151 1.549 1.00 0.00 N ATOM 969 CA ARG A 63 -5.563 4.315 2.481 1.00 0.00 C ATOM 970 C ARG A 63 -4.060 4.517 2.309 1.00 0.00 C ATOM 971 O ARG A 63 -3.469 4.044 1.338 1.00 0.00 O ATOM 972 CB ARG A 63 -5.918 2.842 2.275 1.00 0.00 C ATOM 973 CG ARG A 63 -7.089 2.373 3.124 1.00 0.00 C ATOM 974 CD ARG A 63 -8.220 3.388 3.122 1.00 0.00 C ATOM 975 NE ARG A 63 -9.257 3.054 4.095 1.00 0.00 N ATOM 976 CZ ARG A 63 -10.220 2.168 3.868 1.00 0.00 C ATOM 977 NH1 ARG A 63 -10.278 1.530 2.707 1.00 0.00 N ATOM 978 NH2 ARG A 63 -11.127 1.918 4.803 1.00 0.00 N ATOM 0 H ARG A 63 -6.401 4.759 0.612 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.837 4.609 3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.154 2.677 1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.045 2.231 2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.455 1.418 2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.753 2.203 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.820 4.377 3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.660 3.438 2.126 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.241 3.527 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.582 1.719 1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.019 0.850 2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.085 2.406 5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.866 1.237 4.627 1.00 0.00 H new ATOM 992 N ILE A 64 -3.450 5.220 3.256 1.00 0.00 N ATOM 993 CA ILE A 64 -2.017 5.483 3.209 1.00 0.00 C ATOM 994 C ILE A 64 -1.244 4.469 4.045 1.00 0.00 C ATOM 995 O ILE A 64 -1.760 3.937 5.028 1.00 0.00 O ATOM 996 CB ILE A 64 -1.688 6.902 3.710 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.626 7.925 3.064 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.236 7.245 3.413 1.00 0.00 C ATOM 999 CD1 ILE A 64 -3.893 8.166 3.855 1.00 0.00 C ATOM 0 H ILE A 64 -3.926 5.618 4.066 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.715 5.396 2.165 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.835 6.933 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.095 8.870 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.891 7.582 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.019 8.251 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.417 6.531 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.064 7.199 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.510 8.902 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.446 7.231 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.637 8.539 4.847 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.004 4.207 3.649 1.00 0.00 N ATOM 1012 CA LEU A 65 0.843 3.257 4.363 1.00 0.00 C ATOM 1013 C LEU A 65 2.269 3.784 4.484 1.00 0.00 C ATOM 1014 O LEU A 65 2.887 4.167 3.490 1.00 0.00 O ATOM 1015 CB LEU A 65 0.845 1.906 3.645 1.00 0.00 C ATOM 1016 CG LEU A 65 1.471 0.740 4.412 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.982 0.893 4.474 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.884 0.646 5.812 1.00 0.00 C ATOM 0 H LEU A 65 0.438 4.639 2.837 1.00 0.00 H new ATOM 0 HA LEU A 65 0.437 3.128 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.185 1.644 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.376 2.020 2.700 1.00 0.00 H new ATOM 0 HG LEU A 65 1.242 -0.184 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.410 0.055 5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.388 0.909 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.233 1.825 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.341 -0.189 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.082 1.572 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.192 0.488 5.745 1.00 0.00 H new ATOM 1030 N PHE A 66 2.787 3.798 5.707 1.00 0.00 N ATOM 1031 CA PHE A 66 4.142 4.276 5.959 1.00 0.00 C ATOM 1032 C PHE A 66 5.028 3.149 6.480 1.00 0.00 C ATOM 1033 O PHE A 66 4.700 2.495 7.471 1.00 0.00 O ATOM 1034 CB PHE A 66 4.120 5.429 6.964 1.00 0.00 C ATOM 1035 CG PHE A 66 3.421 6.657 6.453 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.092 7.571 5.657 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.093 6.895 6.767 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.451 8.702 5.186 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.447 8.024 6.299 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.126 8.927 5.506 1.00 0.00 C ATOM 0 H PHE A 66 2.289 3.484 6.540 1.00 0.00 H new ATOM 0 HA PHE A 66 4.556 4.633 5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.628 5.095 7.878 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.145 5.688 7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.127 7.398 5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.556 6.190 7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.986 9.409 4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.412 8.199 6.554 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.622 9.808 5.136 1.00 0.00 H new ATOM 1050 N ILE A 67 6.152 2.927 5.806 1.00 0.00 N ATOM 1051 CA ILE A 67 7.085 1.880 6.201 1.00 0.00 C ATOM 1052 C ILE A 67 8.392 2.475 6.716 1.00 0.00 C ATOM 1053 O ILE A 67 9.182 3.022 5.947 1.00 0.00 O ATOM 1054 CB ILE A 67 7.393 0.929 5.030 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.097 0.497 4.341 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.168 -0.284 5.523 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.322 -0.307 3.080 1.00 0.00 C ATOM 0 H ILE A 67 6.438 3.459 4.984 1.00 0.00 H new ATOM 0 HA ILE A 67 6.606 1.315 7.000 1.00 0.00 H new ATOM 0 HB ILE A 67 8.009 1.458 4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.504 -0.095 5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.512 1.384 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.378 -0.947 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.106 0.042 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.575 -0.817 6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.360 -0.579 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.888 0.289 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.880 -1.212 3.320 1.00 0.00 H new ATOM 1069 N ASN A 68 8.614 2.361 8.021 1.00 0.00 N ATOM 1070 CA ASN A 68 9.826 2.886 8.639 1.00 0.00 C ATOM 1071 C ASN A 68 10.955 1.862 8.579 1.00 0.00 C ATOM 1072 O ASN A 68 10.714 0.666 8.416 1.00 0.00 O ATOM 1073 CB ASN A 68 9.555 3.278 10.093 1.00 0.00 C ATOM 1074 CG ASN A 68 8.780 4.576 10.207 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.366 5.653 10.319 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.456 4.480 10.179 1.00 0.00 N ATOM 0 H ASN A 68 7.971 1.910 8.671 1.00 0.00 H new ATOM 0 HA ASN A 68 10.132 3.772 8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.997 2.480 10.583 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.503 3.376 10.623 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.882 5.320 10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.013 3.566 10.085 1.00 0.00 H new ATOM 1083 N ASN A 69 12.188 2.339 8.713 1.00 0.00 N ATOM 1084 CA ASN A 69 13.355 1.465 8.674 1.00 0.00 C ATOM 1085 C ASN A 69 13.518 0.836 7.293 1.00 0.00 C ATOM 1086 O ASN A 69 13.876 -0.336 7.172 1.00 0.00 O ATOM 1087 CB ASN A 69 13.233 0.369 9.734 1.00 0.00 C ATOM 1088 CG ASN A 69 12.849 0.921 11.094 1.00 0.00 C ATOM 1089 OD1 ASN A 69 12.910 2.128 11.326 1.00 0.00 O ATOM 1090 ND2 ASN A 69 12.452 0.036 12.001 1.00 0.00 N ATOM 0 H ASN A 69 12.405 3.326 8.850 1.00 0.00 H new ATOM 0 HA ASN A 69 14.237 2.069 8.885 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.486 -0.359 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.182 -0.162 9.815 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.182 0.348 12.934 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.417 -0.956 11.765 1.00 0.00 H new ATOM 1097 N CYS A 70 13.253 1.623 6.256 1.00 0.00 N ATOM 1098 CA CYS A 70 13.370 1.144 4.883 1.00 0.00 C ATOM 1099 C CYS A 70 14.805 0.729 4.573 1.00 0.00 C ATOM 1100 O CYS A 70 15.655 1.571 4.286 1.00 0.00 O ATOM 1101 CB CYS A 70 12.915 2.226 3.903 1.00 0.00 C ATOM 1102 SG CYS A 70 11.152 2.616 4.001 1.00 0.00 S ATOM 0 H CYS A 70 12.956 2.595 6.340 1.00 0.00 H new ATOM 0 HA CYS A 70 12.727 0.271 4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.488 3.134 4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.149 1.904 2.888 1.00 0.00 H new ATOM 0 HG CYS A 70 10.784 2.653 5.247 1.00 0.00 H new ATOM 1108 N GLN A 71 15.065 -0.573 4.633 1.00 0.00 N ATOM 1109 CA GLN A 71 16.398 -1.098 4.361 1.00 0.00 C ATOM 1110 C GLN A 71 16.496 -1.616 2.929 1.00 0.00 C ATOM 1111 O GLN A 71 15.527 -2.140 2.381 1.00 0.00 O ATOM 1112 CB GLN A 71 16.739 -2.218 5.345 1.00 0.00 C ATOM 1113 CG GLN A 71 18.225 -2.331 5.646 1.00 0.00 C ATOM 1114 CD GLN A 71 18.647 -1.483 6.829 1.00 0.00 C ATOM 1115 OE1 GLN A 71 18.931 -2.002 7.910 1.00 0.00 O ATOM 1116 NE2 GLN A 71 18.692 -0.171 6.632 1.00 0.00 N ATOM 0 H GLN A 71 14.371 -1.283 4.867 1.00 0.00 H new ATOM 0 HA GLN A 71 17.114 -0.285 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.200 -2.048 6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.385 -3.166 4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.473 -3.374 5.844 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.794 -2.030 4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.449 0.216 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.970 0.450 7.392 1.00 0.00 H new ATOM 1168 N ASP A 75 13.600 -3.737 0.708 1.00 0.00 N ATOM 1169 CA ASP A 75 12.919 -3.365 -0.527 1.00 0.00 C ATOM 1170 C ASP A 75 12.265 -4.581 -1.175 1.00 0.00 C ATOM 1171 O ASP A 75 12.950 -5.497 -1.630 1.00 0.00 O ATOM 1172 CB ASP A 75 13.905 -2.719 -1.502 1.00 0.00 C ATOM 1173 CG ASP A 75 14.641 -3.742 -2.344 1.00 0.00 C ATOM 1174 OD1 ASP A 75 15.257 -4.658 -1.760 1.00 0.00 O ATOM 1175 OD2 ASP A 75 14.601 -3.628 -3.587 1.00 0.00 O ATOM 0 HA ASP A 75 12.139 -2.645 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.367 -2.033 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.628 -2.125 -0.943 1.00 0.00 H new ATOM 1180 N SER A 76 10.937 -4.582 -1.213 1.00 0.00 N ATOM 1181 CA SER A 76 10.190 -5.688 -1.801 1.00 0.00 C ATOM 1182 C SER A 76 9.045 -5.170 -2.667 1.00 0.00 C ATOM 1183 O SER A 76 8.769 -3.971 -2.698 1.00 0.00 O ATOM 1184 CB SER A 76 9.642 -6.602 -0.704 1.00 0.00 C ATOM 1185 OG SER A 76 10.681 -7.356 -0.103 1.00 0.00 O ATOM 0 H SER A 76 10.356 -3.830 -0.844 1.00 0.00 H new ATOM 0 HA SER A 76 10.871 -6.259 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.137 -6.003 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.897 -7.276 -1.126 1.00 0.00 H new ATOM 0 HG SER A 76 10.292 -8.069 0.445 1.00 0.00 H new ATOM 1191 N GLU A 77 8.381 -6.084 -3.367 1.00 0.00 N ATOM 1192 CA GLU A 77 7.266 -5.720 -4.234 1.00 0.00 C ATOM 1193 C GLU A 77 5.947 -5.760 -3.468 1.00 0.00 C ATOM 1194 O GLU A 77 5.433 -6.832 -3.150 1.00 0.00 O ATOM 1195 CB GLU A 77 7.198 -6.663 -5.438 1.00 0.00 C ATOM 1196 CG GLU A 77 6.456 -6.077 -6.627 1.00 0.00 C ATOM 1197 CD GLU A 77 6.197 -7.102 -7.715 1.00 0.00 C ATOM 1198 OE1 GLU A 77 5.345 -7.990 -7.504 1.00 0.00 O ATOM 1199 OE2 GLU A 77 6.847 -7.015 -8.778 1.00 0.00 O ATOM 0 H GLU A 77 8.595 -7.081 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 77 7.431 -4.702 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.212 -6.922 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.710 -7.590 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.506 -5.663 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.035 -5.251 -7.041 1.00 0.00 H new ATOM 1206 N TYR A 78 5.404 -4.583 -3.175 1.00 0.00 N ATOM 1207 CA TYR A 78 4.147 -4.482 -2.444 1.00 0.00 C ATOM 1208 C TYR A 78 2.959 -4.487 -3.401 1.00 0.00 C ATOM 1209 O TYR A 78 3.049 -3.990 -4.524 1.00 0.00 O ATOM 1210 CB TYR A 78 4.127 -3.209 -1.596 1.00 0.00 C ATOM 1211 CG TYR A 78 5.332 -3.064 -0.694 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.569 -2.696 -1.209 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.234 -3.295 0.672 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.673 -2.562 -0.390 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.333 -3.163 1.499 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.550 -2.796 0.964 1.00 0.00 C ATOM 1217 OH TYR A 78 8.647 -2.665 1.784 1.00 0.00 O ATOM 0 H TYR A 78 5.815 -3.686 -3.433 1.00 0.00 H new ATOM 0 HA TYR A 78 4.066 -5.349 -1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.071 -2.343 -2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.224 -3.203 -0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.669 -2.512 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.283 -3.583 1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.627 -2.276 -0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.239 -3.346 2.559 1.00 0.00 H new ATOM 0 HH TYR A 78 8.390 -2.864 2.709 1.00 0.00 H new ATOM 1227 N TYR A 79 1.845 -5.052 -2.948 1.00 0.00 N ATOM 1228 CA TYR A 79 0.638 -5.124 -3.763 1.00 0.00 C ATOM 1229 C TYR A 79 -0.612 -5.073 -2.891 1.00 0.00 C ATOM 1230 O TYR A 79 -0.743 -5.828 -1.927 1.00 0.00 O ATOM 1231 CB TYR A 79 0.639 -6.404 -4.600 1.00 0.00 C ATOM 1232 CG TYR A 79 0.384 -7.656 -3.791 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.425 -8.315 -3.147 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -0.897 -8.180 -3.669 1.00 0.00 C ATOM 1235 CE1 TYR A 79 1.197 -9.459 -2.408 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.134 -9.323 -2.930 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.084 -9.959 -2.302 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.315 -11.098 -1.565 1.00 0.00 O ATOM 0 H TYR A 79 1.753 -5.467 -2.021 1.00 0.00 H new ATOM 0 HA TYR A 79 0.628 -4.262 -4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.122 -6.321 -5.376 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.600 -6.497 -5.105 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.429 -7.926 -3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.722 -7.685 -4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.018 -9.960 -1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.136 -9.716 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.586 -10.850 -0.656 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.531 -4.177 -3.236 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.773 -4.027 -2.487 1.00 0.00 C ATOM 1250 C VAL A 80 -3.959 -4.572 -3.275 1.00 0.00 C ATOM 1251 O VAL A 80 -4.000 -4.478 -4.502 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.040 -2.552 -2.133 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.400 -1.760 -3.381 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.141 -2.447 -1.089 1.00 0.00 C ATOM 0 H VAL A 80 -1.439 -3.543 -4.030 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.659 -4.599 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.129 -2.126 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.585 -0.720 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.576 -1.809 -4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.297 -2.183 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.317 -1.398 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.057 -2.889 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.839 -2.979 -0.187 1.00 0.00 H new ATOM 1264 N THR A 81 -4.924 -5.143 -2.561 1.00 0.00 N ATOM 1265 CA THR A 81 -6.112 -5.705 -3.192 1.00 0.00 C ATOM 1266 C THR A 81 -7.379 -5.038 -2.670 1.00 0.00 C ATOM 1267 O THR A 81 -7.554 -4.875 -1.463 1.00 0.00 O ATOM 1268 CB THR A 81 -6.209 -7.224 -2.954 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.383 -7.491 -1.558 1.00 0.00 O ATOM 1270 CG2 THR A 81 -4.962 -7.932 -3.460 1.00 0.00 C ATOM 0 H THR A 81 -4.906 -5.229 -1.545 1.00 0.00 H new ATOM 0 HA THR A 81 -6.021 -5.518 -4.262 1.00 0.00 H new ATOM 0 HB THR A 81 -7.070 -7.602 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.446 -8.459 -1.415 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.054 -9.003 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.849 -7.751 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.088 -7.550 -2.933 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.261 -4.655 -3.588 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.514 -4.008 -3.220 1.00 0.00 C ATOM 1280 C ALA A 82 -10.686 -4.601 -3.994 1.00 0.00 C ATOM 1281 O ALA A 82 -10.918 -4.253 -5.151 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.424 -2.508 -3.461 1.00 0.00 C ATOM 0 H ALA A 82 -8.131 -4.782 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.688 -4.184 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.367 -2.037 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.618 -2.090 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.223 -2.320 -4.516 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.423 -5.499 -3.347 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.562 -6.127 -3.992 1.00 0.00 C ATOM 1290 C GLY A 83 -12.149 -7.144 -5.036 1.00 0.00 C ATOM 1291 O GLY A 83 -11.580 -8.186 -4.708 1.00 0.00 O ATOM 0 H GLY A 83 -11.252 -5.803 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.179 -6.615 -3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.179 -5.360 -4.460 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.437 -6.845 -6.298 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.093 -7.742 -7.395 1.00 0.00 C ATOM 1297 C ASP A 84 -10.960 -7.162 -8.236 1.00 0.00 C ATOM 1298 O ASP A 84 -10.833 -7.472 -9.420 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.317 -8.001 -8.274 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.355 -8.863 -7.582 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -15.152 -8.314 -6.793 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -14.371 -10.086 -7.832 1.00 0.00 O ATOM 0 H ASP A 84 -12.908 -5.988 -6.587 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.757 -8.687 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.768 -7.049 -8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.002 -8.488 -9.197 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.141 -6.318 -7.616 1.00 0.00 N ATOM 1308 CA GLU A 85 -9.021 -5.693 -8.309 1.00 0.00 C ATOM 1309 C GLU A 85 -7.811 -5.570 -7.388 1.00 0.00 C ATOM 1310 O GLU A 85 -7.941 -5.614 -6.164 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.422 -4.311 -8.830 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.500 -4.353 -9.900 1.00 0.00 C ATOM 1313 CD GLU A 85 -10.055 -5.090 -11.148 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.885 -4.921 -11.551 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.877 -5.835 -11.722 1.00 0.00 O ATOM 0 H GLU A 85 -10.232 -6.052 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.750 -6.327 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.774 -3.705 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.540 -3.814 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.390 -4.836 -9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.783 -3.334 -10.166 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.634 -5.417 -7.984 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.399 -5.287 -7.219 1.00 0.00 C ATOM 1324 C LYS A 86 -4.261 -4.789 -8.104 1.00 0.00 C ATOM 1325 O LYS A 86 -4.243 -5.042 -9.310 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.021 -6.630 -6.591 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.331 -7.580 -7.554 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.741 -8.778 -6.830 1.00 0.00 C ATOM 1329 CE LYS A 86 -2.554 -9.356 -7.584 1.00 0.00 C ATOM 1330 NZ LYS A 86 -1.439 -8.376 -7.698 1.00 0.00 N ATOM 0 H LYS A 86 -6.509 -5.380 -8.996 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.566 -4.557 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.366 -6.451 -5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.922 -7.108 -6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.045 -7.922 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.541 -7.050 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.428 -8.481 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.506 -9.545 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.200 -10.251 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.871 -9.663 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.564 -8.802 -7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.307 -8.115 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.667 -7.525 -7.145 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.313 -4.083 -7.499 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.170 -3.550 -8.232 1.00 0.00 C ATOM 1346 C CYS A 87 -0.863 -3.879 -7.517 1.00 0.00 C ATOM 1347 O CYS A 87 -0.869 -4.396 -6.400 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.306 -2.036 -8.401 1.00 0.00 C ATOM 1349 SG CYS A 87 -2.079 -1.100 -6.870 1.00 0.00 S ATOM 0 H CYS A 87 -3.313 -3.866 -6.502 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.152 -4.018 -9.216 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.575 -1.696 -9.134 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.293 -1.814 -8.808 1.00 0.00 H new ATOM 0 HG CYS A 87 -2.786 -0.010 -6.919 1.00 0.00 H new ATOM 1355 N SER A 88 0.255 -3.578 -8.170 1.00 0.00 N ATOM 1356 CA SER A 88 1.569 -3.847 -7.599 1.00 0.00 C ATOM 1357 C SER A 88 2.525 -2.688 -7.866 1.00 0.00 C ATOM 1358 O SER A 88 2.326 -1.905 -8.795 1.00 0.00 O ATOM 1359 CB SER A 88 2.145 -5.141 -8.177 1.00 0.00 C ATOM 1360 OG SER A 88 1.416 -6.270 -7.725 1.00 0.00 O ATOM 0 H SER A 88 0.277 -3.148 -9.095 1.00 0.00 H new ATOM 0 HA SER A 88 1.453 -3.959 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.119 -5.100 -9.266 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.191 -5.239 -7.886 1.00 0.00 H new ATOM 0 HG SER A 88 1.803 -7.084 -8.110 1.00 0.00 H new ATOM 1366 N THR A 89 3.564 -2.585 -7.043 1.00 0.00 N ATOM 1367 CA THR A 89 4.551 -1.522 -7.188 1.00 0.00 C ATOM 1368 C THR A 89 5.921 -1.973 -6.695 1.00 0.00 C ATOM 1369 O THR A 89 6.038 -2.974 -5.989 1.00 0.00 O ATOM 1370 CB THR A 89 4.131 -0.257 -6.417 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.118 0.768 -6.582 1.00 0.00 O ATOM 1372 CG2 THR A 89 3.950 -0.560 -4.937 1.00 0.00 C ATOM 0 H THR A 89 3.744 -3.225 -6.269 1.00 0.00 H new ATOM 0 HA THR A 89 4.610 -1.288 -8.251 1.00 0.00 H new ATOM 0 HB THR A 89 3.179 0.088 -6.820 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.713 1.545 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.653 0.349 -4.413 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.178 -1.319 -4.813 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.889 -0.927 -4.523 1.00 0.00 H new ATOM 1380 N GLU A 90 6.955 -1.227 -7.071 1.00 0.00 N ATOM 1381 CA GLU A 90 8.318 -1.552 -6.665 1.00 0.00 C ATOM 1382 C GLU A 90 8.884 -0.472 -5.748 1.00 0.00 C ATOM 1383 O GLU A 90 8.743 0.722 -6.014 1.00 0.00 O ATOM 1384 CB GLU A 90 9.215 -1.714 -7.894 1.00 0.00 C ATOM 1385 CG GLU A 90 9.267 -3.136 -8.427 1.00 0.00 C ATOM 1386 CD GLU A 90 10.381 -3.953 -7.801 1.00 0.00 C ATOM 1387 OE1 GLU A 90 10.784 -3.634 -6.663 1.00 0.00 O ATOM 1388 OE2 GLU A 90 10.849 -4.911 -8.450 1.00 0.00 O ATOM 0 H GLU A 90 6.875 -0.395 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 90 8.292 -2.494 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.859 -1.052 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.225 -1.393 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.312 -3.626 -8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.404 -3.110 -9.508 1.00 0.00 H new ATOM 1395 N LEU A 91 9.525 -0.900 -4.666 1.00 0.00 N ATOM 1396 CA LEU A 91 10.113 0.029 -3.707 1.00 0.00 C ATOM 1397 C LEU A 91 11.630 0.084 -3.862 1.00 0.00 C ATOM 1398 O LEU A 91 12.314 -0.932 -3.736 1.00 0.00 O ATOM 1399 CB LEU A 91 9.750 -0.383 -2.279 1.00 0.00 C ATOM 1400 CG LEU A 91 10.318 0.494 -1.163 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.728 0.053 -0.803 1.00 0.00 C ATOM 1402 CD2 LEU A 91 10.303 1.958 -1.575 1.00 0.00 C ATOM 0 H LEU A 91 9.651 -1.884 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 91 9.709 1.022 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.664 -0.392 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.091 -1.406 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 91 9.688 0.380 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.116 0.689 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.710 -0.983 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.370 0.137 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.711 2.567 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.909 2.090 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.278 2.268 -1.781 1.00 0.00 H new ATOM 1414 N PHE A 92 12.149 1.277 -4.133 1.00 0.00 N ATOM 1415 CA PHE A 92 13.584 1.465 -4.304 1.00 0.00 C ATOM 1416 C PHE A 92 14.159 2.320 -3.178 1.00 0.00 C ATOM 1417 O PHE A 92 14.157 3.549 -3.254 1.00 0.00 O ATOM 1418 CB PHE A 92 13.877 2.119 -5.656 1.00 0.00 C ATOM 1419 CG PHE A 92 13.606 1.219 -6.828 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.338 0.057 -7.010 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.619 1.536 -7.747 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.091 -0.772 -8.088 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.367 0.710 -8.827 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.103 -0.446 -8.997 1.00 0.00 C ATOM 0 H PHE A 92 11.597 2.128 -4.239 1.00 0.00 H new ATOM 0 HA PHE A 92 14.059 0.485 -4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.273 3.021 -5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.921 2.431 -5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.110 -0.204 -6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.040 2.438 -7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.670 -1.674 -8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.595 0.969 -9.537 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.907 -1.094 -9.839 1.00 0.00 H new ATOM 1434 N VAL A 93 14.649 1.661 -2.133 1.00 0.00 N ATOM 1435 CA VAL A 93 15.227 2.359 -0.991 1.00 0.00 C ATOM 1436 C VAL A 93 16.741 2.473 -1.125 1.00 0.00 C ATOM 1437 O VAL A 93 17.457 1.474 -1.058 1.00 0.00 O ATOM 1438 CB VAL A 93 14.892 1.644 0.332 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.213 0.160 0.233 1.00 0.00 C ATOM 1440 CG2 VAL A 93 15.645 2.285 1.488 1.00 0.00 C ATOM 0 H VAL A 93 14.657 0.644 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 93 14.790 3.358 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 93 13.824 1.748 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.970 -0.329 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.625 -0.287 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.274 0.031 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.397 1.768 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 93 16.718 2.213 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.361 3.334 1.570 1.00 0.00 H new ATOM 1450 N ARG A 94 17.222 3.697 -1.316 1.00 0.00 N ATOM 1451 CA ARG A 94 18.652 3.942 -1.460 1.00 0.00 C ATOM 1452 C ARG A 94 19.413 3.465 -0.227 1.00 0.00 C ATOM 1453 O ARG A 94 18.811 3.102 0.784 1.00 0.00 O ATOM 1454 CB ARG A 94 18.915 5.431 -1.691 1.00 0.00 C ATOM 1455 CG ARG A 94 18.181 6.000 -2.894 1.00 0.00 C ATOM 1456 CD ARG A 94 18.235 7.520 -2.912 1.00 0.00 C ATOM 1457 NE ARG A 94 19.573 8.016 -3.222 1.00 0.00 N ATOM 1458 CZ ARG A 94 19.952 9.275 -3.033 1.00 0.00 C ATOM 1459 NH1 ARG A 94 19.099 10.160 -2.536 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.188 9.651 -3.339 1.00 0.00 N ATOM 0 H ARG A 94 16.643 4.534 -1.375 1.00 0.00 H new ATOM 0 HA ARG A 94 19.006 3.379 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 94 18.620 5.986 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.986 5.586 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 94 18.623 5.608 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.142 5.672 -2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 94 17.528 7.899 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 94 17.921 7.905 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 94 20.254 7.360 -3.605 1.00 0.00 H new ATOM 0 HH11 ARG A 94 18.149 9.875 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 94 19.393 11.126 -2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 94 21.848 8.973 -3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 94 21.478 10.618 -3.193 1.00 0.00 H new