USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 795 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 61 ASN : amide:sc= -4.51! C(o=-4.6!,f=-4.9!) USER MOD Set 1.2: A 64 LYS NZ :NH3+ -108:sc= -0.12 (180deg=-0.00418) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -11.9! C(o=-12!,f=-13!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -3.01! X(o=-3!,f=-2.9) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -2.07 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 31 MET CE :methyl -132:sc= -1.22 (180deg=-3.62!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -105:sc= 1.07 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0.574 (180deg=0.439) USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= -1.41 (180deg=-1.5) USER MOD Single : A 46 HIS : no HE2:sc= -6.31! C(o=-6.3!,f=-9!) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0554 F(o=-0.92,f=-0.055) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 69:sc= 1.12 USER MOD Single : A 72 HIS : no HD1:sc= -6.55! C(o=-6.6!,f=-6.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.76 K(o=-1.8,f=-5.4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc=-0.00879 USER MOD Single : A 91 THR OG1 : rot -105:sc= 0.685! USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0.035) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 150:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 175:sc= -0.342 (180deg=-0.396) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -17.338 0.696 0.531 1.00 0.00 N ATOM 122 CA TYR A 8 -16.204 0.691 -0.294 1.00 0.00 C ATOM 123 C TYR A 8 -15.547 -0.598 -0.350 1.00 0.00 C ATOM 124 O TYR A 8 -14.733 -0.949 0.426 1.00 0.00 O ATOM 125 CB TYR A 8 -15.191 1.757 0.084 1.00 0.00 C ATOM 126 CG TYR A 8 -14.533 1.493 1.386 1.00 0.00 C ATOM 127 CD1 TYR A 8 -15.203 1.747 2.579 1.00 0.00 C ATOM 128 CD2 TYR A 8 -13.243 0.979 1.465 1.00 0.00 C ATOM 129 CE1 TYR A 8 -14.610 1.505 3.798 1.00 0.00 C ATOM 130 CE2 TYR A 8 -12.643 0.731 2.677 1.00 0.00 C ATOM 131 CZ TYR A 8 -13.328 0.998 3.847 1.00 0.00 C ATOM 132 OH TYR A 8 -12.731 0.763 5.058 1.00 0.00 O ATOM 0 HA TYR A 8 -16.592 0.920 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.431 1.821 -0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.689 2.726 0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.208 2.142 2.548 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.701 0.770 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.147 1.711 4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.641 0.329 2.714 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.830 0.405 4.915 1.00 0.00 H new ATOM 142 N ASP A 9 -15.908 -1.387 -1.355 1.00 0.00 N ATOM 143 CA ASP A 9 -15.359 -2.725 -1.532 1.00 0.00 C ATOM 144 C ASP A 9 -13.832 -2.699 -1.520 1.00 0.00 C ATOM 145 O ASP A 9 -13.207 -2.474 -2.554 1.00 0.00 O ATOM 146 CB ASP A 9 -15.866 -3.339 -2.836 1.00 0.00 C ATOM 147 CG ASP A 9 -16.851 -4.464 -2.601 1.00 0.00 C ATOM 148 OD1 ASP A 9 -16.422 -5.541 -2.126 1.00 0.00 O ATOM 149 OD2 ASP A 9 -18.057 -4.280 -2.896 1.00 0.00 O ATOM 0 H ASP A 9 -16.587 -1.118 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.695 -3.340 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.341 -2.564 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.019 -3.715 -3.410 1.00 0.00 H new ATOM 154 N ASN A 10 -13.248 -2.919 -0.356 1.00 0.00 N ATOM 155 CA ASN A 10 -11.804 -2.919 -0.211 1.00 0.00 C ATOM 156 C ASN A 10 -11.388 -3.545 1.047 1.00 0.00 C ATOM 157 O ASN A 10 -12.136 -4.331 1.624 1.00 0.00 O ATOM 158 CB ASN A 10 -11.272 -1.492 -0.312 1.00 0.00 C ATOM 159 CG ASN A 10 -9.946 -1.415 -1.036 1.00 0.00 C ATOM 160 OD1 ASN A 10 -9.520 -2.377 -1.674 1.00 0.00 O ATOM 161 ND2 ASN A 10 -9.274 -0.270 -0.936 1.00 0.00 N ATOM 0 H ASN A 10 -13.757 -3.101 0.509 1.00 0.00 H new ATOM 0 HA ASN A 10 -11.380 -3.513 -1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.002 -0.872 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.159 -1.079 0.690 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.371 -0.167 -1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.663 0.504 -0.397 1.00 0.00 H new ATOM 168 N ILE A 11 -10.197 -3.199 1.516 1.00 0.00 N ATOM 169 CA ILE A 11 -9.695 -3.736 2.783 1.00 0.00 C ATOM 170 C ILE A 11 -9.775 -2.672 3.873 1.00 0.00 C ATOM 171 O ILE A 11 -10.393 -1.625 3.692 1.00 0.00 O ATOM 172 CB ILE A 11 -8.230 -4.240 2.666 1.00 0.00 C ATOM 173 CG1 ILE A 11 -7.666 -3.995 1.268 1.00 0.00 C ATOM 174 CG2 ILE A 11 -8.155 -5.715 3.018 1.00 0.00 C ATOM 175 CD1 ILE A 11 -6.236 -4.469 1.099 1.00 0.00 C ATOM 0 H ILE A 11 -9.561 -2.554 1.046 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.325 -4.587 3.043 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.621 -3.675 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.297 -4.501 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.715 -2.929 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.124 -6.057 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.503 -5.863 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.784 -6.285 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.902 -4.263 0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.593 -3.944 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.183 -5.541 1.288 1.00 0.00 H new ATOM 187 N ASN A 12 -9.145 -2.952 5.007 1.00 0.00 N ATOM 188 CA ASN A 12 -9.144 -2.008 6.129 1.00 0.00 C ATOM 189 C ASN A 12 -8.203 -0.846 5.857 1.00 0.00 C ATOM 190 O ASN A 12 -7.247 -0.626 6.599 1.00 0.00 O ATOM 191 CB ASN A 12 -8.745 -2.721 7.419 1.00 0.00 C ATOM 192 CG ASN A 12 -9.878 -3.547 8.000 1.00 0.00 C ATOM 193 OD1 ASN A 12 -9.950 -4.756 7.805 1.00 0.00 O ATOM 194 ND2 ASN A 12 -10.769 -2.879 8.731 1.00 0.00 N ATOM 0 H ASN A 12 -8.631 -3.816 5.178 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.153 -1.611 6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -7.891 -3.369 7.223 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.424 -1.983 8.154 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -11.553 -3.374 9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.667 -1.873 8.865 1.00 0.00 H new ATOM 201 N LEU A 13 -8.469 -0.110 4.781 1.00 0.00 N ATOM 202 CA LEU A 13 -7.644 0.959 4.418 1.00 0.00 C ATOM 203 C LEU A 13 -8.067 2.194 5.179 1.00 0.00 C ATOM 204 O LEU A 13 -8.367 3.241 4.601 1.00 0.00 O ATOM 205 CB LEU A 13 -7.706 1.206 2.915 1.00 0.00 C ATOM 206 CG LEU A 13 -6.688 0.406 2.101 1.00 0.00 C ATOM 207 CD1 LEU A 13 -7.086 0.367 0.637 1.00 0.00 C ATOM 208 CD2 LEU A 13 -5.292 0.992 2.268 1.00 0.00 C ATOM 0 H LEU A 13 -9.265 -0.264 4.162 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.612 0.716 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.708 0.964 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.549 2.268 2.727 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.675 -0.618 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.349 -0.207 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.064 -0.103 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.131 1.383 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.581 0.410 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.288 2.026 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.007 0.960 3.320 1.00 0.00 H new ATOM 220 N ASP A 14 -8.063 2.064 6.492 1.00 0.00 N ATOM 221 CA ASP A 14 -8.421 3.157 7.384 1.00 0.00 C ATOM 222 C ASP A 14 -7.356 3.293 8.457 1.00 0.00 C ATOM 223 O ASP A 14 -6.811 4.369 8.686 1.00 0.00 O ATOM 224 CB ASP A 14 -9.795 2.902 8.018 1.00 0.00 C ATOM 225 CG ASP A 14 -10.624 4.157 8.130 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.021 4.701 7.073 1.00 0.00 O ATOM 227 OD2 ASP A 14 -10.879 4.612 9.262 1.00 0.00 O ATOM 0 H ASP A 14 -7.812 1.200 6.973 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.480 4.085 6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.335 2.166 7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.659 2.471 9.010 1.00 0.00 H new ATOM 232 N GLU A 15 -7.053 2.168 9.093 1.00 0.00 N ATOM 233 CA GLU A 15 -6.037 2.135 10.138 1.00 0.00 C ATOM 234 C GLU A 15 -4.668 2.479 9.542 1.00 0.00 C ATOM 235 O GLU A 15 -3.806 3.017 10.236 1.00 0.00 O ATOM 236 CB GLU A 15 -5.996 0.761 10.805 1.00 0.00 C ATOM 237 CG GLU A 15 -7.365 0.226 11.153 1.00 0.00 C ATOM 238 CD GLU A 15 -7.287 -0.915 12.065 1.00 0.00 C ATOM 239 OE1 GLU A 15 -6.637 -0.815 13.128 1.00 0.00 O ATOM 240 OE2 GLU A 15 -7.884 -1.954 11.734 1.00 0.00 O ATOM 0 H GLU A 15 -7.495 1.268 8.904 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.290 2.875 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.496 0.057 10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.396 0.823 11.713 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.959 1.017 11.611 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.881 -0.073 10.241 1.00 0.00 H new ATOM 247 N ILE A 16 -4.484 2.166 8.257 1.00 0.00 N ATOM 248 CA ILE A 16 -3.224 2.455 7.592 1.00 0.00 C ATOM 249 C ILE A 16 -3.256 3.821 6.909 1.00 0.00 C ATOM 250 O ILE A 16 -2.297 4.221 6.254 1.00 0.00 O ATOM 251 CB ILE A 16 -2.864 1.377 6.549 1.00 0.00 C ATOM 252 CG1 ILE A 16 -3.309 0.022 7.028 1.00 0.00 C ATOM 253 CG2 ILE A 16 -1.361 1.380 6.284 1.00 0.00 C ATOM 254 CD1 ILE A 16 -2.998 -1.037 6.042 1.00 0.00 C ATOM 0 H ILE A 16 -5.186 1.718 7.668 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.460 2.459 8.369 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.381 1.604 5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.820 -0.208 7.975 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.382 0.038 7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.120 0.615 5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.060 2.357 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.828 1.171 7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.335 -2.001 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.508 -0.821 5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.922 -1.070 5.871 1.00 0.00 H new ATOM 266 N LEU A 17 -4.370 4.534 7.067 1.00 0.00 N ATOM 267 CA LEU A 17 -4.521 5.845 6.481 1.00 0.00 C ATOM 268 C LEU A 17 -5.084 6.839 7.507 1.00 0.00 C ATOM 269 O LEU A 17 -5.412 7.978 7.197 1.00 0.00 O ATOM 270 CB LEU A 17 -5.440 5.765 5.255 1.00 0.00 C ATOM 271 CG LEU A 17 -6.017 7.092 4.754 1.00 0.00 C ATOM 272 CD1 LEU A 17 -4.909 8.105 4.539 1.00 0.00 C ATOM 273 CD2 LEU A 17 -6.807 6.875 3.469 1.00 0.00 C ATOM 0 H LEU A 17 -5.179 4.215 7.600 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.540 6.201 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.883 5.304 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.269 5.098 5.492 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.695 7.485 5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.337 9.042 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.387 8.279 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.205 7.723 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.211 7.827 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.150 6.462 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.626 6.181 3.658 1.00 0.00 H new ATOM 285 N ALA A 18 -5.189 6.383 8.768 1.00 0.00 N ATOM 286 CA ALA A 18 -5.705 7.223 9.839 1.00 0.00 C ATOM 287 C ALA A 18 -4.584 7.762 10.719 1.00 0.00 C ATOM 288 O ALA A 18 -4.629 8.917 11.142 1.00 0.00 O ATOM 289 CB ALA A 18 -6.709 6.436 10.670 1.00 0.00 C ATOM 0 H ALA A 18 -4.923 5.442 9.059 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.204 8.081 9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.093 7.068 11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.534 6.114 10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.220 5.562 11.100 1.00 0.00 H new ATOM 295 N ASN A 19 -3.585 6.932 10.997 1.00 0.00 N ATOM 296 CA ASN A 19 -2.472 7.352 11.844 1.00 0.00 C ATOM 297 C ASN A 19 -1.172 6.643 11.496 1.00 0.00 C ATOM 298 O ASN A 19 -1.111 5.402 11.407 1.00 0.00 O ATOM 299 CB ASN A 19 -2.805 7.121 13.315 1.00 0.00 C ATOM 300 CG ASN A 19 -3.608 5.858 13.553 1.00 0.00 C ATOM 301 OD1 ASN A 19 -4.683 5.899 14.157 1.00 0.00 O ATOM 302 ND2 ASN A 19 -3.103 4.731 13.072 1.00 0.00 N ATOM 0 H ASN A 19 -3.521 5.974 10.653 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.324 8.416 11.661 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.879 7.068 13.887 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.365 7.977 13.693 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.607 3.853 13.195 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.210 4.742 12.578 1.00 0.00 H new ATOM 309 N LYS A 20 -0.124 7.432 11.296 1.00 0.00 N ATOM 310 CA LYS A 20 1.119 6.903 10.971 1.00 0.00 C ATOM 311 C LYS A 20 1.571 5.881 12.003 1.00 0.00 C ATOM 312 O LYS A 20 2.440 5.066 11.735 1.00 0.00 O ATOM 313 CB LYS A 20 2.163 8.017 10.836 1.00 0.00 C ATOM 314 CG LYS A 20 1.786 9.334 11.522 1.00 0.00 C ATOM 315 CD LYS A 20 1.396 9.116 12.969 1.00 0.00 C ATOM 316 CE LYS A 20 2.286 9.904 13.909 1.00 0.00 C ATOM 317 NZ LYS A 20 1.804 9.848 15.322 1.00 0.00 N ATOM 0 H LYS A 20 -0.150 8.449 11.363 1.00 0.00 H new ATOM 0 HA LYS A 20 1.022 6.396 10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.107 7.664 11.251 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.333 8.210 9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.627 10.025 11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.958 9.800 10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.357 9.413 13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.461 8.055 13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.302 9.513 13.858 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.327 10.943 13.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.443 10.401 15.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.844 10.245 15.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.789 8.859 15.645 1.00 0.00 H new ATOM 331 N ARG A 21 0.966 5.917 13.188 1.00 0.00 N ATOM 332 CA ARG A 21 1.339 4.973 14.236 1.00 0.00 C ATOM 333 C ARG A 21 1.186 3.543 13.726 1.00 0.00 C ATOM 334 O ARG A 21 2.033 2.683 14.003 1.00 0.00 O ATOM 335 CB ARG A 21 0.463 5.182 15.476 1.00 0.00 C ATOM 336 CG ARG A 21 -0.932 4.982 15.223 1.00 0.00 C ATOM 337 CD ARG A 21 -1.779 5.858 16.137 1.00 0.00 C ATOM 338 NE ARG A 21 -1.526 5.584 17.544 1.00 0.00 N ATOM 339 CZ ARG A 21 -1.997 4.526 18.190 1.00 0.00 C ATOM 340 NH1 ARG A 21 -2.758 3.635 17.559 1.00 0.00 N ATOM 341 NH2 ARG A 21 -1.717 4.352 19.479 1.00 0.00 N ATOM 0 H ARG A 21 0.230 6.576 13.443 1.00 0.00 H new ATOM 0 HA ARG A 21 2.380 5.146 14.509 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.785 4.496 16.260 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.616 6.193 15.854 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.154 5.214 14.181 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.188 3.934 15.378 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.570 6.907 15.929 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.835 5.694 15.920 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.951 6.246 18.065 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.982 3.764 16.572 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.117 2.824 18.062 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.139 5.033 19.972 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.080 3.538 19.974 1.00 0.00 H new ATOM 355 N LEU A 22 0.127 3.297 12.969 1.00 0.00 N ATOM 356 CA LEU A 22 -0.042 1.974 12.427 1.00 0.00 C ATOM 357 C LEU A 22 0.358 1.888 10.985 1.00 0.00 C ATOM 358 O LEU A 22 0.952 0.890 10.580 1.00 0.00 O ATOM 359 CB LEU A 22 -1.524 1.617 12.531 1.00 0.00 C ATOM 360 CG LEU A 22 -1.954 0.388 11.744 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.223 -0.150 12.337 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.168 0.744 10.277 1.00 0.00 C ATOM 0 H LEU A 22 -0.598 3.972 12.727 1.00 0.00 H new ATOM 0 HA LEU A 22 0.595 1.291 12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.770 1.460 13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.111 2.470 12.190 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.173 -0.370 11.799 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.540 -1.032 11.780 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.051 -0.421 13.379 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.001 0.612 12.284 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.475 -0.146 9.728 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.944 1.506 10.197 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.238 1.127 9.856 1.00 0.00 H new ATOM 374 N LEU A 23 0.112 2.942 10.216 1.00 0.00 N ATOM 375 CA LEU A 23 0.534 2.957 8.825 1.00 0.00 C ATOM 376 C LEU A 23 2.050 2.803 8.749 1.00 0.00 C ATOM 377 O LEU A 23 2.576 2.070 7.911 1.00 0.00 O ATOM 378 CB LEU A 23 0.070 4.253 8.129 1.00 0.00 C ATOM 379 CG LEU A 23 1.160 5.268 7.784 1.00 0.00 C ATOM 380 CD1 LEU A 23 1.953 4.819 6.575 1.00 0.00 C ATOM 381 CD2 LEU A 23 0.540 6.634 7.530 1.00 0.00 C ATOM 0 H LEU A 23 -0.370 3.785 10.528 1.00 0.00 H new ATOM 0 HA LEU A 23 0.072 2.120 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.446 3.980 7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.662 4.743 8.772 1.00 0.00 H new ATOM 0 HG LEU A 23 1.843 5.340 8.631 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.722 5.558 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.423 3.858 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.286 4.718 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.325 7.350 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.162 6.566 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.012 6.966 8.424 1.00 0.00 H new ATOM 393 N VAL A 24 2.743 3.486 9.652 1.00 0.00 N ATOM 394 CA VAL A 24 4.193 3.420 9.713 1.00 0.00 C ATOM 395 C VAL A 24 4.645 2.104 10.315 1.00 0.00 C ATOM 396 O VAL A 24 5.517 1.432 9.759 1.00 0.00 O ATOM 397 CB VAL A 24 4.782 4.590 10.524 1.00 0.00 C ATOM 398 CG1 VAL A 24 6.296 4.491 10.582 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.350 5.924 9.934 1.00 0.00 C ATOM 0 H VAL A 24 2.320 4.093 10.354 1.00 0.00 H new ATOM 0 HA VAL A 24 4.562 3.493 8.690 1.00 0.00 H new ATOM 0 HB VAL A 24 4.397 4.529 11.542 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.693 5.326 11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.581 3.553 11.058 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.702 4.523 9.571 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.777 6.737 10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.701 5.997 8.905 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.262 5.995 9.953 1.00 0.00 H new ATOM 409 N ALA A 25 4.051 1.729 11.449 1.00 0.00 N ATOM 410 CA ALA A 25 4.405 0.473 12.102 1.00 0.00 C ATOM 411 C ALA A 25 4.283 -0.610 11.132 1.00 0.00 C ATOM 412 O ALA A 25 5.210 -1.395 10.965 1.00 0.00 O ATOM 413 CB ALA A 25 3.544 0.261 13.327 1.00 0.00 C ATOM 0 H ALA A 25 3.332 2.271 11.928 1.00 0.00 H new ATOM 0 HA ALA A 25 5.437 0.498 12.451 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.817 -0.679 13.806 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.698 1.083 14.027 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.495 0.227 13.033 1.00 0.00 H new ATOM 419 N TYR A 26 3.138 -0.696 10.468 1.00 0.00 N ATOM 420 CA TYR A 26 2.909 -1.751 9.496 1.00 0.00 C ATOM 421 C TYR A 26 3.897 -1.620 8.348 1.00 0.00 C ATOM 422 O TYR A 26 4.496 -2.599 7.918 1.00 0.00 O ATOM 423 CB TYR A 26 1.467 -1.705 8.965 1.00 0.00 C ATOM 424 CG TYR A 26 0.763 -3.043 9.005 1.00 0.00 C ATOM 425 CD1 TYR A 26 1.444 -4.219 8.712 1.00 0.00 C ATOM 426 CD2 TYR A 26 -0.498 -3.133 9.329 1.00 0.00 C ATOM 427 CE1 TYR A 26 0.807 -5.447 8.746 1.00 0.00 C ATOM 428 CE2 TYR A 26 -1.144 -4.355 9.366 1.00 0.00 C ATOM 429 CZ TYR A 26 -0.449 -5.499 9.083 1.00 0.00 C ATOM 430 OH TYR A 26 -1.088 -6.720 9.114 1.00 0.00 O ATOM 0 H TYR A 26 2.358 -0.050 10.585 1.00 0.00 H new ATOM 0 HA TYR A 26 3.058 -2.712 9.988 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.896 -0.986 9.552 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.479 -1.341 7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.491 -4.173 8.453 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.048 -2.236 9.573 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.345 -6.350 8.496 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.193 -4.406 9.617 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.021 -6.594 9.385 1.00 0.00 H new ATOM 440 N VAL A 27 4.073 -0.395 7.861 1.00 0.00 N ATOM 441 CA VAL A 27 5.015 -0.162 6.776 1.00 0.00 C ATOM 442 C VAL A 27 6.428 -0.528 7.193 1.00 0.00 C ATOM 443 O VAL A 27 7.195 -1.060 6.388 1.00 0.00 O ATOM 444 CB VAL A 27 4.983 1.262 6.331 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.229 1.631 5.535 1.00 0.00 C ATOM 446 CG2 VAL A 27 3.722 1.537 5.522 1.00 0.00 C ATOM 0 H VAL A 27 3.585 0.436 8.194 1.00 0.00 H new ATOM 0 HA VAL A 27 4.713 -0.799 5.945 1.00 0.00 H new ATOM 0 HB VAL A 27 4.970 1.889 7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.169 2.675 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.113 1.485 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.297 0.997 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.713 2.580 5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.704 0.891 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.844 1.338 6.137 1.00 0.00 H new ATOM 456 N ASN A 28 6.771 -0.291 8.460 1.00 0.00 N ATOM 457 CA ASN A 28 8.090 -0.633 8.957 1.00 0.00 C ATOM 458 C ASN A 28 8.224 -2.144 9.052 1.00 0.00 C ATOM 459 O ASN A 28 9.278 -2.705 8.764 1.00 0.00 O ATOM 460 CB ASN A 28 8.329 -0.037 10.332 1.00 0.00 C ATOM 461 CG ASN A 28 9.014 1.262 10.226 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.794 2.013 9.274 1.00 0.00 O ATOM 463 ND2 ASN A 28 9.854 1.588 11.205 1.00 0.00 N ATOM 0 H ASN A 28 6.153 0.134 9.151 1.00 0.00 H new ATOM 0 HA ASN A 28 8.826 -0.228 8.263 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.378 0.089 10.849 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.929 -0.722 10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.340 2.485 11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.012 0.941 11.978 1.00 0.00 H new ATOM 470 N CYS A 29 7.135 -2.795 9.435 1.00 0.00 N ATOM 471 CA CYS A 29 7.111 -4.233 9.539 1.00 0.00 C ATOM 472 C CYS A 29 7.301 -4.862 8.164 1.00 0.00 C ATOM 473 O CYS A 29 7.952 -5.896 8.024 1.00 0.00 O ATOM 474 CB CYS A 29 5.790 -4.672 10.151 1.00 0.00 C ATOM 475 SG CYS A 29 5.550 -4.126 11.869 1.00 0.00 S ATOM 0 H CYS A 29 6.255 -2.340 9.679 1.00 0.00 H new ATOM 0 HA CYS A 29 7.927 -4.565 10.181 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.973 -4.286 9.541 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.729 -5.760 10.115 1.00 0.00 H new ATOM 480 N VAL A 30 6.748 -4.199 7.152 1.00 0.00 N ATOM 481 CA VAL A 30 6.859 -4.678 5.782 1.00 0.00 C ATOM 482 C VAL A 30 8.332 -4.873 5.409 1.00 0.00 C ATOM 483 O VAL A 30 8.659 -5.701 4.560 1.00 0.00 O ATOM 484 CB VAL A 30 6.202 -3.691 4.782 1.00 0.00 C ATOM 485 CG1 VAL A 30 6.466 -4.113 3.348 1.00 0.00 C ATOM 486 CG2 VAL A 30 4.705 -3.591 5.051 1.00 0.00 C ATOM 0 H VAL A 30 6.221 -3.332 7.256 1.00 0.00 H new ATOM 0 HA VAL A 30 6.334 -5.631 5.722 1.00 0.00 H new ATOM 0 HB VAL A 30 6.648 -2.707 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.994 -3.404 2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.541 -4.131 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.053 -5.107 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.254 -2.895 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.248 -4.574 4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.541 -3.232 6.067 1.00 0.00 H new ATOM 496 N MET A 31 9.214 -4.113 6.060 1.00 0.00 N ATOM 497 CA MET A 31 10.643 -4.228 5.800 1.00 0.00 C ATOM 498 C MET A 31 11.139 -5.648 6.087 1.00 0.00 C ATOM 499 O MET A 31 12.099 -6.106 5.477 1.00 0.00 O ATOM 500 CB MET A 31 11.430 -3.204 6.639 1.00 0.00 C ATOM 501 CG MET A 31 11.738 -3.671 8.055 1.00 0.00 C ATOM 502 SD MET A 31 12.134 -2.301 9.161 1.00 0.00 S ATOM 503 CE MET A 31 13.914 -2.203 8.959 1.00 0.00 C ATOM 0 H MET A 31 8.964 -3.419 6.764 1.00 0.00 H new ATOM 0 HA MET A 31 10.812 -4.015 4.744 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.367 -2.976 6.131 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.860 -2.276 6.689 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.881 -4.216 8.449 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.575 -4.368 8.031 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.389 -2.151 9.939 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.269 -3.087 8.430 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.167 -1.311 8.386 1.00 0.00 H new ATOM 513 N GLU A 32 10.459 -6.331 7.013 1.00 0.00 N ATOM 514 CA GLU A 32 10.809 -7.698 7.385 1.00 0.00 C ATOM 515 C GLU A 32 11.979 -7.725 8.365 1.00 0.00 C ATOM 516 O GLU A 32 13.118 -8.032 7.985 1.00 0.00 O ATOM 517 CB GLU A 32 11.148 -8.538 6.146 1.00 0.00 C ATOM 518 CG GLU A 32 10.714 -9.985 6.258 1.00 0.00 C ATOM 519 CD GLU A 32 10.191 -10.544 4.939 1.00 0.00 C ATOM 520 OE1 GLU A 32 9.052 -10.195 4.561 1.00 0.00 O ATOM 521 OE2 GLU A 32 10.923 -11.318 4.294 1.00 0.00 O ATOM 0 H GLU A 32 9.658 -5.953 7.520 1.00 0.00 H new ATOM 0 HA GLU A 32 9.937 -8.132 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.672 -8.091 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.224 -8.502 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.557 -10.588 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.937 -10.070 7.018 1.00 0.00 H new ATOM 528 N ARG A 33 11.699 -7.406 9.618 1.00 0.00 N ATOM 529 CA ARG A 33 12.722 -7.397 10.662 1.00 0.00 C ATOM 530 C ARG A 33 12.405 -8.401 11.767 1.00 0.00 C ATOM 531 O ARG A 33 13.149 -8.515 12.737 1.00 0.00 O ATOM 532 CB ARG A 33 12.852 -5.996 11.258 1.00 0.00 C ATOM 533 CG ARG A 33 13.761 -5.076 10.459 1.00 0.00 C ATOM 534 CD ARG A 33 15.217 -5.275 10.830 1.00 0.00 C ATOM 535 NE ARG A 33 15.825 -6.377 10.085 1.00 0.00 N ATOM 536 CZ ARG A 33 16.977 -6.959 10.433 1.00 0.00 C ATOM 537 NH1 ARG A 33 17.633 -6.555 11.508 1.00 0.00 N ATOM 538 NH2 ARG A 33 17.453 -7.949 9.696 1.00 0.00 N ATOM 0 H ARG A 33 10.767 -7.148 9.943 1.00 0.00 H new ATOM 0 HA ARG A 33 13.667 -7.688 10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.862 -5.546 11.325 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.235 -6.077 12.275 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.627 -5.265 9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.478 -4.039 10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.770 -4.356 10.635 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.295 -5.473 11.899 1.00 0.00 H new ATOM 0 HE ARG A 33 15.343 -6.720 9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.260 -5.795 12.077 1.00 0.00 H new ATOM 0 HH12 ARG A 33 18.511 -7.003 11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.942 -8.262 8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.331 -8.400 9.953 1.00 0.00 H new ATOM 552 N GLY A 34 11.297 -9.134 11.614 1.00 0.00 N ATOM 553 CA GLY A 34 10.914 -10.107 12.620 1.00 0.00 C ATOM 554 C GLY A 34 9.536 -9.839 13.191 1.00 0.00 C ATOM 555 O GLY A 34 9.282 -8.770 13.740 1.00 0.00 O ATOM 0 H GLY A 34 10.665 -9.068 10.816 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.935 -11.105 12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.646 -10.098 13.427 1.00 0.00 H new ATOM 559 N LYS A 35 8.635 -10.817 13.053 1.00 0.00 N ATOM 560 CA LYS A 35 7.272 -10.671 13.554 1.00 0.00 C ATOM 561 C LYS A 35 6.602 -9.442 12.935 1.00 0.00 C ATOM 562 O LYS A 35 7.264 -8.634 12.289 1.00 0.00 O ATOM 563 CB LYS A 35 7.274 -10.559 15.077 1.00 0.00 C ATOM 564 CG LYS A 35 7.056 -11.882 15.789 1.00 0.00 C ATOM 565 CD LYS A 35 6.223 -11.716 17.049 1.00 0.00 C ATOM 566 CE LYS A 35 4.833 -11.185 16.734 1.00 0.00 C ATOM 567 NZ LYS A 35 3.795 -11.797 17.611 1.00 0.00 N ATOM 0 H LYS A 35 8.827 -11.711 12.601 1.00 0.00 H new ATOM 0 HA LYS A 35 6.704 -11.557 13.269 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.225 -10.136 15.400 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.495 -9.860 15.382 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.559 -12.580 15.115 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.021 -12.319 16.046 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.140 -12.675 17.560 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.728 -11.033 17.733 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.821 -10.102 16.858 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.594 -11.389 15.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.861 -11.410 17.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.789 -12.828 17.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.009 -11.581 18.605 1.00 0.00 H new ATOM 581 N CYS A 36 5.298 -9.326 13.140 1.00 0.00 N ATOM 582 CA CYS A 36 4.542 -8.204 12.592 1.00 0.00 C ATOM 583 C CYS A 36 4.480 -8.287 11.067 1.00 0.00 C ATOM 584 O CYS A 36 3.396 -8.411 10.484 1.00 0.00 O ATOM 585 CB CYS A 36 5.155 -6.889 13.044 1.00 0.00 C ATOM 586 SG CYS A 36 4.164 -5.424 12.606 1.00 0.00 S ATOM 0 H CYS A 36 4.742 -9.990 13.679 1.00 0.00 H new ATOM 0 HA CYS A 36 3.520 -8.253 12.969 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.289 -6.915 14.125 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.146 -6.790 12.602 1.00 0.00 H new ATOM 591 N SER A 37 5.644 -8.223 10.425 1.00 0.00 N ATOM 592 CA SER A 37 5.712 -8.305 8.968 1.00 0.00 C ATOM 593 C SER A 37 4.870 -9.466 8.448 1.00 0.00 C ATOM 594 O SER A 37 3.955 -9.273 7.644 1.00 0.00 O ATOM 595 CB SER A 37 7.171 -8.473 8.507 1.00 0.00 C ATOM 596 OG SER A 37 8.071 -7.939 9.464 1.00 0.00 O ATOM 0 H SER A 37 6.547 -8.115 10.887 1.00 0.00 H new ATOM 0 HA SER A 37 5.313 -7.376 8.561 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.387 -9.530 8.349 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.314 -7.972 7.549 1.00 0.00 H new ATOM 0 HG SER A 37 8.424 -7.084 9.140 1.00 0.00 H new ATOM 602 N PRO A 38 5.147 -10.702 8.913 1.00 0.00 N ATOM 603 CA PRO A 38 4.386 -11.884 8.500 1.00 0.00 C ATOM 604 C PRO A 38 2.897 -11.700 8.766 1.00 0.00 C ATOM 605 O PRO A 38 2.050 -12.087 7.967 1.00 0.00 O ATOM 606 CB PRO A 38 4.954 -13.020 9.359 1.00 0.00 C ATOM 607 CG PRO A 38 5.711 -12.349 10.454 1.00 0.00 C ATOM 608 CD PRO A 38 6.198 -11.055 9.883 1.00 0.00 C ATOM 0 HA PRO A 38 4.478 -12.080 7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.157 -13.646 9.759 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.604 -13.669 8.772 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.074 -12.178 11.321 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.545 -12.967 10.788 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.309 -10.291 10.653 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.170 -11.167 9.402 1.00 0.00 H new ATOM 616 N GLU A 39 2.584 -11.082 9.907 1.00 0.00 N ATOM 617 CA GLU A 39 1.190 -10.829 10.278 1.00 0.00 C ATOM 618 C GLU A 39 0.479 -10.048 9.181 1.00 0.00 C ATOM 619 O GLU A 39 -0.658 -10.138 9.032 1.00 0.00 O ATOM 620 CB GLU A 39 1.123 -10.066 11.600 1.00 0.00 C ATOM 621 CG GLU A 39 1.906 -10.712 12.729 1.00 0.00 C ATOM 622 CD GLU A 39 1.009 -11.395 13.749 1.00 0.00 C ATOM 623 OE1 GLU A 39 0.299 -10.676 14.479 1.00 0.00 O ATOM 624 OE2 GLU A 39 1.031 -12.640 13.810 1.00 0.00 O ATOM 0 H GLU A 39 3.270 -10.750 10.585 1.00 0.00 H new ATOM 0 HA GLU A 39 0.686 -11.788 10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.499 -9.055 11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.080 -9.974 11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.599 -11.443 12.313 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.507 -9.953 13.230 1.00 0.00 H new ATOM 631 N GLY A 40 1.253 -9.295 8.402 1.00 0.00 N ATOM 632 CA GLY A 40 0.688 -8.514 7.315 1.00 0.00 C ATOM 633 C GLY A 40 0.466 -9.355 6.060 1.00 0.00 C ATOM 634 O GLY A 40 0.099 -8.828 5.010 1.00 0.00 O ATOM 0 H GLY A 40 2.264 -9.212 8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.261 -8.082 7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.354 -7.683 7.081 1.00 0.00 H new ATOM 638 N LYS A 41 0.704 -10.657 6.177 1.00 0.00 N ATOM 639 CA LYS A 41 0.543 -11.568 5.059 1.00 0.00 C ATOM 640 C LYS A 41 -0.716 -11.391 4.359 1.00 0.00 C ATOM 641 O LYS A 41 -0.867 -11.763 3.196 1.00 0.00 O ATOM 642 CB LYS A 41 0.704 -13.022 5.519 1.00 0.00 C ATOM 643 CG LYS A 41 0.598 -14.038 4.407 1.00 0.00 C ATOM 644 CD LYS A 41 -0.642 -14.794 4.445 1.00 0.00 C ATOM 645 CE LYS A 41 -0.479 -16.237 4.016 1.00 0.00 C ATOM 646 NZ LYS A 41 -1.740 -17.015 4.170 1.00 0.00 N ATOM 0 H LYS A 41 1.011 -11.103 7.042 1.00 0.00 H new ATOM 0 HA LYS A 41 1.332 -11.328 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.673 -13.132 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.056 -13.240 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.677 -13.527 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.440 -14.728 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.045 -14.767 5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.374 -14.311 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.158 -16.271 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.309 -16.704 4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.601 -17.978 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.998 -17.063 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.503 -16.548 3.639 1.00 0.00 H new ATOM 660 N GLU A 42 -1.691 -10.837 5.069 1.00 0.00 N ATOM 661 CA GLU A 42 -3.007 -10.621 4.480 1.00 0.00 C ATOM 662 C GLU A 42 -2.929 -9.493 3.459 1.00 0.00 C ATOM 663 O GLU A 42 -3.383 -9.641 2.323 1.00 0.00 O ATOM 664 CB GLU A 42 -4.059 -10.288 5.554 1.00 0.00 C ATOM 665 CG GLU A 42 -3.503 -10.116 6.960 1.00 0.00 C ATOM 666 CD GLU A 42 -4.579 -9.780 7.971 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.163 -8.671 7.886 1.00 0.00 O ATOM 668 OE2 GLU A 42 -4.849 -10.619 8.854 1.00 0.00 O ATOM 0 H GLU A 42 -1.599 -10.533 6.038 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.316 -11.543 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.573 -9.371 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.807 -11.081 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.998 -11.033 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.752 -9.326 6.956 1.00 0.00 H new ATOM 675 N LEU A 43 -2.324 -8.377 3.861 1.00 0.00 N ATOM 676 CA LEU A 43 -2.158 -7.243 2.959 1.00 0.00 C ATOM 677 C LEU A 43 -1.305 -7.675 1.777 1.00 0.00 C ATOM 678 O LEU A 43 -1.607 -7.352 0.622 1.00 0.00 O ATOM 679 CB LEU A 43 -1.507 -6.065 3.688 1.00 0.00 C ATOM 680 CG LEU A 43 -2.061 -5.804 5.090 1.00 0.00 C ATOM 681 CD1 LEU A 43 -1.026 -6.179 6.145 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.482 -4.347 5.245 1.00 0.00 C ATOM 0 H LEU A 43 -1.944 -8.236 4.797 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.135 -6.916 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.435 -6.247 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.636 -5.165 3.086 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.944 -6.427 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.433 -5.988 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.778 -7.236 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.126 -5.581 6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.873 -4.186 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.620 -3.700 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.255 -4.112 4.513 1.00 0.00 H new ATOM 694 N LYS A 44 -0.242 -8.415 2.068 1.00 0.00 N ATOM 695 CA LYS A 44 0.559 -8.898 1.017 1.00 0.00 C ATOM 696 C LYS A 44 -0.140 -9.843 0.131 1.00 0.00 C ATOM 697 O LYS A 44 -0.149 -9.685 -1.031 1.00 0.00 O ATOM 698 CB LYS A 44 1.779 -9.612 1.622 1.00 0.00 C ATOM 699 CG LYS A 44 2.986 -8.706 1.801 1.00 0.00 C ATOM 700 CD LYS A 44 2.909 -7.935 3.113 1.00 0.00 C ATOM 701 CE LYS A 44 2.309 -6.549 2.904 1.00 0.00 C ATOM 702 NZ LYS A 44 1.928 -5.916 4.193 1.00 0.00 N ATOM 0 H LYS A 44 0.058 -8.674 3.008 1.00 0.00 H new ATOM 0 HA LYS A 44 0.842 -8.038 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.502 -10.030 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.055 -10.449 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.898 -9.303 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.045 -8.006 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.305 -8.491 3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.907 -7.841 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.029 -5.915 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.431 -6.625 2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.555 -4.962 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.198 -6.491 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.764 -5.851 4.808 1.00 0.00 H new ATOM 716 N GLU A 45 -0.799 -10.815 0.715 1.00 0.00 N ATOM 717 CA GLU A 45 -1.592 -11.761 -0.012 1.00 0.00 C ATOM 718 C GLU A 45 -2.703 -11.015 -0.707 1.00 0.00 C ATOM 719 O GLU A 45 -3.178 -11.448 -1.758 1.00 0.00 O ATOM 720 CB GLU A 45 -2.197 -12.828 0.862 1.00 0.00 C ATOM 721 CG GLU A 45 -1.237 -13.951 1.197 1.00 0.00 C ATOM 722 CD GLU A 45 -1.957 -15.244 1.547 1.00 0.00 C ATOM 723 OE1 GLU A 45 -2.945 -15.180 2.320 1.00 0.00 O ATOM 724 OE2 GLU A 45 -1.537 -16.310 1.071 1.00 0.00 O ATOM 0 H GLU A 45 -0.796 -10.968 1.723 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.932 -12.265 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.548 -12.372 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.071 -13.245 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.575 -14.125 0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.608 -13.650 2.035 1.00 0.00 H new ATOM 731 N HIS A 46 -3.088 -9.875 -0.173 1.00 0.00 N ATOM 732 CA HIS A 46 -4.128 -9.045 -0.738 1.00 0.00 C ATOM 733 C HIS A 46 -3.648 -8.406 -2.033 1.00 0.00 C ATOM 734 O HIS A 46 -4.395 -8.376 -3.019 1.00 0.00 O ATOM 735 CB HIS A 46 -4.564 -7.954 0.190 1.00 0.00 C ATOM 736 CG HIS A 46 -5.797 -8.311 0.937 1.00 0.00 C ATOM 737 ND1 HIS A 46 -5.891 -9.426 1.742 1.00 0.00 N ATOM 738 CD2 HIS A 46 -6.996 -7.684 1.022 1.00 0.00 C ATOM 739 CE1 HIS A 46 -7.098 -9.477 2.280 1.00 0.00 C ATOM 740 NE2 HIS A 46 -7.786 -8.431 1.860 1.00 0.00 N ATOM 0 H HIS A 46 -2.679 -9.494 0.680 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.978 -9.702 -0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.763 -7.739 0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.739 -7.042 -0.381 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.146 -10.105 1.898 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.277 -6.768 0.524 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.460 -10.244 2.949 1.00 0.00 H new ATOM 749 N LEU A 47 -2.412 -7.905 -2.054 1.00 0.00 N ATOM 750 CA LEU A 47 -1.888 -7.286 -3.263 1.00 0.00 C ATOM 751 C LEU A 47 -0.356 -7.231 -3.294 1.00 0.00 C ATOM 752 O LEU A 47 0.153 -6.158 -3.396 1.00 0.00 O ATOM 753 CB LEU A 47 -2.476 -5.886 -3.439 1.00 0.00 C ATOM 754 CG LEU A 47 -1.921 -4.796 -2.504 1.00 0.00 C ATOM 755 CD1 LEU A 47 -2.896 -3.630 -2.415 1.00 0.00 C ATOM 756 CD2 LEU A 47 -1.636 -5.354 -1.126 1.00 0.00 C ATOM 0 H LEU A 47 -1.769 -7.916 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.193 -7.918 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.310 -5.571 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.555 -5.946 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.981 -4.436 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.491 -2.867 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.046 -3.205 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.850 -3.983 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.245 -4.562 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.557 -5.747 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.901 -6.155 -1.203 1.00 0.00 H new ATOM 768 N GLN A 48 0.201 -8.401 -3.252 1.00 0.00 N ATOM 769 CA GLN A 48 1.657 -8.477 -3.318 1.00 0.00 C ATOM 770 C GLN A 48 2.093 -9.362 -4.479 1.00 0.00 C ATOM 771 O GLN A 48 3.124 -9.124 -5.105 1.00 0.00 O ATOM 772 CB GLN A 48 2.250 -8.990 -2.002 1.00 0.00 C ATOM 773 CG GLN A 48 2.233 -10.508 -1.840 1.00 0.00 C ATOM 774 CD GLN A 48 3.622 -11.120 -1.879 1.00 0.00 C ATOM 775 OE1 GLN A 48 4.491 -10.561 -2.728 1.00 0.00 O flip ATOM 776 NE2 GLN A 48 3.911 -12.079 -1.172 1.00 0.00 N flip ATOM 0 H GLN A 48 -0.290 -9.292 -3.176 1.00 0.00 H new ATOM 0 HA GLN A 48 2.036 -7.469 -3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.280 -8.642 -1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.699 -8.544 -1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.755 -10.762 -0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.625 -10.946 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.216 -12.473 -0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.847 -12.482 -1.217 1.00 0.00 H new ATOM 785 N ASP A 49 1.293 -10.381 -4.780 1.00 0.00 N ATOM 786 CA ASP A 49 1.579 -11.301 -5.868 1.00 0.00 C ATOM 787 C ASP A 49 0.657 -11.012 -7.053 1.00 0.00 C ATOM 788 O ASP A 49 1.040 -11.193 -8.213 1.00 0.00 O ATOM 789 CB ASP A 49 1.405 -12.746 -5.417 1.00 0.00 C ATOM 790 CG ASP A 49 2.419 -13.682 -6.052 1.00 0.00 C ATOM 791 OD1 ASP A 49 2.336 -13.898 -7.278 1.00 0.00 O ATOM 792 OD2 ASP A 49 3.297 -14.199 -5.325 1.00 0.00 O ATOM 0 H ASP A 49 0.431 -10.589 -4.276 1.00 0.00 H new ATOM 0 HA ASP A 49 2.615 -11.158 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.498 -12.798 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.399 -13.082 -5.667 1.00 0.00 H new ATOM 797 N ALA A 50 -0.477 -10.563 -6.755 1.00 0.00 N ATOM 798 CA ALA A 50 -1.449 -10.244 -7.787 1.00 0.00 C ATOM 799 C ALA A 50 -1.105 -8.917 -8.452 1.00 0.00 C ATOM 800 O ALA A 50 -1.489 -8.670 -9.598 1.00 0.00 O ATOM 801 CB ALA A 50 -2.845 -10.184 -7.191 1.00 0.00 C ATOM 0 H ALA A 50 -0.795 -10.392 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.421 -11.028 -8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.565 -9.944 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.095 -11.150 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.878 -9.415 -6.419 1.00 0.00 H new ATOM 807 N ILE A 51 -0.365 -8.070 -7.741 1.00 0.00 N ATOM 808 CA ILE A 51 -0.011 -6.769 -8.265 1.00 0.00 C ATOM 809 C ILE A 51 0.525 -6.900 -9.666 1.00 0.00 C ATOM 810 O ILE A 51 0.436 -5.975 -10.483 1.00 0.00 O ATOM 811 CB ILE A 51 1.009 -6.108 -7.348 1.00 0.00 C ATOM 812 CG1 ILE A 51 1.397 -4.731 -7.893 1.00 0.00 C ATOM 813 CG2 ILE A 51 2.233 -6.999 -7.219 1.00 0.00 C ATOM 814 CD1 ILE A 51 2.422 -4.015 -7.041 1.00 0.00 C ATOM 0 H ILE A 51 -0.004 -8.266 -6.807 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.900 -6.140 -8.304 1.00 0.00 H new ATOM 0 HB ILE A 51 0.569 -5.971 -6.360 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.791 -4.846 -8.903 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.502 -4.113 -7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.962 -6.524 -6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.940 -7.961 -6.800 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.677 -7.152 -8.203 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.651 -3.046 -7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.023 -3.869 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.331 -4.613 -6.986 1.00 0.00 H new ATOM 940 N GLU A 60 -10.277 -2.252 -9.645 1.00 0.00 N ATOM 941 CA GLU A 60 -11.632 -1.802 -9.484 1.00 0.00 C ATOM 942 C GLU A 60 -11.931 -1.570 -8.017 1.00 0.00 C ATOM 943 O GLU A 60 -11.552 -2.350 -7.156 1.00 0.00 O ATOM 944 CB GLU A 60 -12.614 -2.805 -10.125 1.00 0.00 C ATOM 945 CG GLU A 60 -13.521 -3.523 -9.138 1.00 0.00 C ATOM 946 CD GLU A 60 -14.059 -4.836 -9.690 1.00 0.00 C ATOM 947 OE1 GLU A 60 -14.392 -4.875 -10.887 1.00 0.00 O ATOM 948 OE2 GLU A 60 -14.149 -5.806 -8.917 1.00 0.00 O ATOM 0 HA GLU A 60 -11.760 -0.851 -10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.234 -2.275 -10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.042 -3.549 -10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.970 -3.718 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.356 -2.873 -8.877 1.00 0.00 H new ATOM 955 N ASN A 61 -12.555 -0.435 -7.756 1.00 0.00 N ATOM 956 CA ASN A 61 -12.877 -0.040 -6.388 1.00 0.00 C ATOM 957 C ASN A 61 -11.641 -0.164 -5.531 1.00 0.00 C ATOM 958 O ASN A 61 -11.005 0.748 -5.183 1.00 0.00 O ATOM 959 CB ASN A 61 -14.017 -0.870 -5.812 1.00 0.00 C ATOM 960 CG ASN A 61 -14.780 -1.659 -6.864 1.00 0.00 C ATOM 961 OD1 ASN A 61 -14.931 -2.875 -6.745 1.00 0.00 O ATOM 962 ND2 ASN A 61 -15.256 -0.969 -7.886 1.00 0.00 N ATOM 0 H ASN A 61 -12.850 0.232 -8.469 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.213 0.997 -6.398 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.615 -1.561 -5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.710 -0.210 -5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.776 -1.444 -8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.103 0.038 -7.937 1.00 0.00 H new ATOM 969 N GLN A 62 -11.262 -1.410 -5.248 1.00 0.00 N ATOM 970 CA GLN A 62 -10.058 -1.667 -4.492 1.00 0.00 C ATOM 971 C GLN A 62 -8.919 -0.918 -5.159 1.00 0.00 C ATOM 972 O GLN A 62 -7.973 -0.490 -4.501 1.00 0.00 O ATOM 973 CB GLN A 62 -9.749 -3.163 -4.436 1.00 0.00 C ATOM 974 CG GLN A 62 -10.965 -4.024 -4.116 1.00 0.00 C ATOM 975 CD GLN A 62 -10.605 -5.476 -3.882 1.00 0.00 C ATOM 976 OE1 GLN A 62 -10.386 -5.897 -2.741 1.00 0.00 O ATOM 977 NE2 GLN A 62 -10.534 -6.258 -4.952 1.00 0.00 N ATOM 0 H GLN A 62 -11.774 -2.245 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.190 -1.326 -3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.334 -3.476 -5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.981 -3.339 -3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.462 -3.629 -3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.678 -3.958 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.722 -5.874 -5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.292 -7.243 -4.848 1.00 0.00 H new ATOM 986 N GLU A 63 -9.035 -0.745 -6.469 1.00 0.00 N ATOM 987 CA GLU A 63 -8.020 -0.024 -7.220 1.00 0.00 C ATOM 988 C GLU A 63 -7.962 1.348 -6.731 1.00 0.00 C ATOM 989 O GLU A 63 -6.889 1.901 -6.482 1.00 0.00 O ATOM 990 CB GLU A 63 -8.344 -0.054 -8.713 1.00 0.00 C ATOM 991 CG GLU A 63 -7.354 0.660 -9.570 1.00 0.00 C ATOM 992 CD GLU A 63 -7.819 0.792 -11.001 1.00 0.00 C ATOM 993 OE1 GLU A 63 -7.987 -0.163 -11.675 1.00 0.00 O ATOM 994 OE2 GLU A 63 -8.004 1.939 -11.455 1.00 0.00 O ATOM 0 H GLU A 63 -9.815 -1.091 -7.028 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.049 -0.499 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.407 -1.092 -9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.328 0.389 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.170 1.652 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.405 0.124 -9.547 1.00 0.00 H new ATOM 1001 N LYS A 64 -9.146 1.956 -6.571 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.249 3.318 -6.108 1.00 0.00 C ATOM 1003 C LYS A 64 -8.786 3.429 -4.668 1.00 0.00 C ATOM 1004 O LYS A 64 -7.966 4.281 -4.334 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.683 3.824 -6.247 1.00 0.00 C ATOM 1006 CG LYS A 64 -11.168 3.889 -7.679 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.174 2.786 -7.991 1.00 0.00 C ATOM 1008 CE LYS A 64 -13.554 3.132 -7.459 1.00 0.00 C ATOM 1009 NZ LYS A 64 -14.624 2.407 -8.188 1.00 0.00 N ATOM 0 H LYS A 64 -10.043 1.509 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.602 3.939 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.346 3.173 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.753 4.817 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.626 4.861 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.317 3.805 -8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.225 2.632 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.837 1.848 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.607 2.887 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.718 4.206 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.143 3.073 -8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.200 1.661 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.280 1.978 -7.505 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.299 2.552 -3.809 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.904 2.571 -2.407 1.00 0.00 C ATOM 1025 C GLY A 65 -7.404 2.492 -2.254 1.00 0.00 C ATOM 1026 O GLY A 65 -6.833 3.145 -1.381 1.00 0.00 O ATOM 0 H GLY A 65 -9.978 1.831 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.271 3.483 -1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.369 1.734 -1.886 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.765 1.702 -3.116 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.327 1.551 -3.065 1.00 0.00 C ATOM 1032 C ALA A 66 -4.642 2.841 -3.496 1.00 0.00 C ATOM 1033 O ALA A 66 -3.960 3.482 -2.681 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.873 0.391 -3.941 1.00 0.00 C ATOM 0 H ALA A 66 -7.224 1.163 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.044 1.332 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.788 0.297 -3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.335 -0.532 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.170 0.577 -4.973 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.814 3.236 -4.752 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.197 4.461 -5.247 1.00 0.00 C ATOM 1042 C TYR A 67 -4.481 5.609 -4.275 1.00 0.00 C ATOM 1043 O TYR A 67 -3.573 6.333 -3.872 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.705 4.816 -6.646 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.671 5.536 -7.501 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.815 6.474 -6.948 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.579 5.277 -8.858 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.875 7.134 -7.724 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.645 5.933 -9.647 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.796 6.858 -9.079 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.872 7.508 -9.851 1.00 0.00 O ATOM 0 H TYR A 67 -5.371 2.731 -5.441 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.121 4.299 -5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.014 3.903 -7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.591 5.445 -6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.881 6.695 -5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.243 4.554 -9.309 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.210 7.857 -7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.584 5.719 -10.704 1.00 0.00 H new ATOM 0 HH TYR A 67 0.028 7.210 -9.604 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.738 5.746 -3.881 1.00 0.00 N ATOM 1062 CA ARG A 68 -6.125 6.780 -2.928 1.00 0.00 C ATOM 1063 C ARG A 68 -5.242 6.695 -1.700 1.00 0.00 C ATOM 1064 O ARG A 68 -4.813 7.729 -1.150 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.596 6.625 -2.538 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.250 7.931 -2.112 1.00 0.00 C ATOM 1067 CD ARG A 68 -8.259 8.078 -0.598 1.00 0.00 C ATOM 1068 NE ARG A 68 -9.397 8.861 -0.136 1.00 0.00 N ATOM 1069 CZ ARG A 68 -9.846 8.852 1.039 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -9.238 8.105 1.955 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -10.889 9.592 1.378 1.00 0.00 N ATOM 0 H ARG A 68 -6.506 5.158 -4.204 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.997 7.758 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.146 6.211 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.674 5.906 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.715 8.770 -2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.272 7.968 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.287 7.090 -0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.334 8.555 -0.274 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.864 9.461 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.420 7.551 1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.589 8.086 2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.343 10.183 0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.239 9.572 2.336 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.957 5.475 -1.261 1.00 0.00 N ATOM 1086 CA VAL A 69 -4.117 5.264 -0.090 1.00 0.00 C ATOM 1087 C VAL A 69 -2.648 5.540 -0.424 1.00 0.00 C ATOM 1088 O VAL A 69 -1.871 5.887 0.373 1.00 0.00 O ATOM 1089 CB VAL A 69 -4.268 3.845 0.385 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -3.235 3.570 1.468 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.678 3.633 0.922 1.00 0.00 C ATOM 0 H VAL A 69 -5.295 4.618 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.431 5.952 0.695 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.106 3.155 -0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.339 2.543 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.234 3.716 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.391 4.254 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.786 2.604 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.857 4.314 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.402 3.829 0.131 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.284 5.412 -1.702 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.919 5.663 -2.103 1.00 0.00 C ATOM 1103 C ILE A 70 -0.673 7.167 -2.226 1.00 0.00 C ATOM 1104 O ILE A 70 0.315 7.662 -1.884 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.535 4.952 -3.423 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.889 4.688 -3.437 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.941 5.751 -4.648 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.268 3.292 -3.023 1.00 0.00 C ATOM 0 H ILE A 70 -2.912 5.140 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.282 5.246 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.083 4.011 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.270 4.872 -4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.384 5.397 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.650 5.210 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.021 5.897 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.444 6.721 -4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.352 3.182 -3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.921 3.107 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.806 2.574 -3.700 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.696 7.889 -2.690 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.611 9.320 -2.832 1.00 0.00 C ATOM 1122 C GLU A 71 -1.723 9.990 -1.473 1.00 0.00 C ATOM 1123 O GLU A 71 -1.111 11.027 -1.229 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.711 9.836 -3.767 1.00 0.00 C ATOM 1125 CG GLU A 71 -4.113 9.518 -3.282 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.183 9.978 -4.247 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.281 9.410 -5.356 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.934 10.926 -3.899 1.00 0.00 O ATOM 0 H GLU A 71 -2.592 7.491 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.643 9.566 -3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.608 10.916 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.570 9.401 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.205 8.443 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.274 9.992 -2.314 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.501 9.372 -0.587 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.671 9.904 0.677 1.00 0.00 C ATOM 1137 C HIS A 72 -1.410 9.657 1.499 1.00 0.00 C ATOM 1138 O HIS A 72 -0.908 10.560 2.164 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.881 9.266 1.354 1.00 0.00 C ATOM 1140 CG HIS A 72 -4.516 10.136 2.386 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.879 10.358 2.452 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.973 10.838 3.406 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -6.146 11.169 3.460 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -5.007 11.471 4.062 1.00 0.00 N ATOM 0 H HIS A 72 -3.006 8.503 -0.763 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.846 10.977 0.602 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.622 9.017 0.595 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.574 8.329 1.819 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.925 10.893 3.660 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.126 11.524 3.744 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.910 12.074 4.879 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.906 8.433 1.433 1.00 0.00 N ATOM 1154 CA LEU A 73 0.229 8.086 2.157 1.00 0.00 C ATOM 1155 C LEU A 73 1.415 8.818 1.539 1.00 0.00 C ATOM 1156 O LEU A 73 2.357 9.188 2.241 1.00 0.00 O ATOM 1157 CB LEU A 73 0.452 6.567 2.120 1.00 0.00 C ATOM 1158 CG LEU A 73 -0.161 5.784 3.228 1.00 0.00 C ATOM 1159 CD1 LEU A 73 0.125 4.303 3.145 1.00 0.00 C ATOM 1160 CD2 LEU A 73 0.133 6.340 4.590 1.00 0.00 C ATOM 0 H LEU A 73 -1.298 7.680 0.867 1.00 0.00 H new ATOM 0 HA LEU A 73 0.112 8.371 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.062 6.187 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.526 6.379 2.121 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.235 5.897 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.351 3.793 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.269 3.908 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.202 4.138 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.345 5.719 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.210 6.348 4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.252 7.357 4.659 1.00 0.00 H new ATOM 1172 N ILE A 74 1.349 9.028 0.240 1.00 0.00 N ATOM 1173 CA ILE A 74 2.406 9.727 -0.402 1.00 0.00 C ATOM 1174 C ILE A 74 2.682 11.070 0.182 1.00 0.00 C ATOM 1175 O ILE A 74 3.809 11.363 0.564 1.00 0.00 O ATOM 1176 CB ILE A 74 2.046 9.908 -1.905 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.817 8.905 -2.765 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.322 11.333 -2.375 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.020 8.356 -3.925 1.00 0.00 C ATOM 0 H ILE A 74 0.587 8.727 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 74 3.306 9.128 -0.263 1.00 0.00 H new ATOM 0 HB ILE A 74 0.978 9.719 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.716 9.386 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.143 8.077 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.060 11.426 -3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.724 12.031 -1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.380 11.561 -2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.634 7.652 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.134 7.845 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.716 9.175 -4.578 1.00 0.00 H new ATOM 1191 N LYS A 75 1.638 11.884 0.326 1.00 0.00 N ATOM 1192 CA LYS A 75 1.773 13.186 0.947 1.00 0.00 C ATOM 1193 C LYS A 75 1.912 13.034 2.453 1.00 0.00 C ATOM 1194 O LYS A 75 2.551 13.847 3.118 1.00 0.00 O ATOM 1195 CB LYS A 75 0.585 14.078 0.586 1.00 0.00 C ATOM 1196 CG LYS A 75 -0.317 14.324 1.710 1.00 0.00 C ATOM 1197 CD LYS A 75 -1.456 15.238 1.279 1.00 0.00 C ATOM 1198 CE LYS A 75 -2.693 14.443 0.904 1.00 0.00 C ATOM 1199 NZ LYS A 75 -3.938 15.236 1.110 1.00 0.00 N ATOM 0 H LYS A 75 0.692 11.658 0.019 1.00 0.00 H new ATOM 0 HA LYS A 75 2.675 13.667 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.957 15.032 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.025 13.614 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.718 13.379 2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.232 14.779 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.697 15.928 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.138 15.842 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.626 14.135 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.737 13.533 1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.763 14.662 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.014 15.509 2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.906 16.091 0.519 1.00 0.00 H new ATOM 1213 N ASN A 76 1.311 11.968 2.991 1.00 0.00 N ATOM 1214 CA ASN A 76 1.383 11.705 4.422 1.00 0.00 C ATOM 1215 C ASN A 76 2.829 11.728 4.880 1.00 0.00 C ATOM 1216 O ASN A 76 3.166 12.339 5.898 1.00 0.00 O ATOM 1217 CB ASN A 76 0.748 10.348 4.754 1.00 0.00 C ATOM 1218 CG ASN A 76 0.506 10.171 6.240 1.00 0.00 C ATOM 1219 OD1 ASN A 76 1.280 9.485 6.919 1.00 0.00 O ATOM 1220 ND2 ASN A 76 -0.475 10.777 6.747 1.00 0.00 N ATOM 0 H ASN A 76 0.775 11.282 2.459 1.00 0.00 H new ATOM 0 HA ASN A 76 0.829 12.483 4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.198 10.252 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.398 9.549 4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.652 10.711 7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.092 11.334 6.155 1.00 0.00 H new ATOM 1227 N GLU A 77 3.687 11.067 4.112 1.00 0.00 N ATOM 1228 CA GLU A 77 5.119 11.016 4.422 1.00 0.00 C ATOM 1229 C GLU A 77 5.875 10.130 3.448 1.00 0.00 C ATOM 1230 O GLU A 77 6.873 9.505 3.810 1.00 0.00 O ATOM 1231 CB GLU A 77 5.342 10.547 5.856 1.00 0.00 C ATOM 1232 CG GLU A 77 4.561 9.297 6.220 1.00 0.00 C ATOM 1233 CD GLU A 77 4.113 9.294 7.669 1.00 0.00 C ATOM 1234 OE1 GLU A 77 3.561 10.314 8.118 1.00 0.00 O ATOM 1235 OE2 GLU A 77 4.316 8.269 8.351 1.00 0.00 O ATOM 0 H GLU A 77 3.421 10.558 3.269 1.00 0.00 H new ATOM 0 HA GLU A 77 5.512 12.027 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.405 10.356 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.063 11.350 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.688 9.217 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.179 8.419 6.032 1.00 0.00 H new ATOM 1242 N ILE A 78 5.395 10.112 2.211 1.00 0.00 N ATOM 1243 CA ILE A 78 5.988 9.326 1.123 1.00 0.00 C ATOM 1244 C ILE A 78 6.781 8.131 1.641 1.00 0.00 C ATOM 1245 O ILE A 78 7.843 7.794 1.114 1.00 0.00 O ATOM 1246 CB ILE A 78 6.892 10.207 0.243 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.485 9.381 -0.828 1.00 0.00 C ATOM 1248 CG2 ILE A 78 7.995 10.866 1.044 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.345 10.048 -2.179 1.00 0.00 C ATOM 0 H ILE A 78 4.574 10.647 1.926 1.00 0.00 H new ATOM 0 HA ILE A 78 5.161 8.944 0.524 1.00 0.00 H new ATOM 0 HB ILE A 78 6.276 10.998 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.539 9.207 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.999 8.406 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.609 11.478 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.556 11.496 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.615 10.099 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.791 9.415 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.289 10.199 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.854 11.012 -2.163 1.00 0.00 H new ATOM 1261 N GLU A 79 6.247 7.490 2.664 1.00 0.00 N ATOM 1262 CA GLU A 79 6.884 6.327 3.228 1.00 0.00 C ATOM 1263 C GLU A 79 6.536 5.100 2.397 1.00 0.00 C ATOM 1264 O GLU A 79 7.090 4.021 2.577 1.00 0.00 O ATOM 1265 CB GLU A 79 6.462 6.122 4.682 1.00 0.00 C ATOM 1266 CG GLU A 79 4.963 5.968 4.866 1.00 0.00 C ATOM 1267 CD GLU A 79 4.554 4.529 5.105 1.00 0.00 C ATOM 1268 OE1 GLU A 79 4.926 3.977 6.165 1.00 0.00 O ATOM 1269 OE2 GLU A 79 3.871 3.947 4.240 1.00 0.00 O ATOM 0 H GLU A 79 5.374 7.759 3.117 1.00 0.00 H new ATOM 0 HA GLU A 79 7.963 6.479 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.960 5.235 5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.807 6.970 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.639 6.579 5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.451 6.346 3.981 1.00 0.00 H new ATOM 1276 N ILE A 80 5.595 5.295 1.466 1.00 0.00 N ATOM 1277 CA ILE A 80 5.152 4.221 0.583 1.00 0.00 C ATOM 1278 C ILE A 80 6.330 3.592 -0.073 1.00 0.00 C ATOM 1279 O ILE A 80 6.606 2.400 0.061 1.00 0.00 O ATOM 1280 CB ILE A 80 4.146 4.746 -0.377 1.00 0.00 C ATOM 1281 CG1 ILE A 80 2.881 5.266 0.220 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.788 3.665 -1.391 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.313 6.484 -0.384 1.00 0.00 C ATOM 0 H ILE A 80 5.128 6.188 1.308 1.00 0.00 H new ATOM 0 HA ILE A 80 4.658 3.434 1.152 1.00 0.00 H new ATOM 0 HB ILE A 80 4.635 5.606 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.130 4.478 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.060 5.463 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.050 4.054 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.684 3.366 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.374 2.801 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.397 6.757 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.033 7.299 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.089 6.299 -1.434 1.00 0.00 H new ATOM 1295 N TRP A 81 7.016 4.387 -0.876 1.00 0.00 N ATOM 1296 CA TRP A 81 8.163 3.897 -1.639 1.00 0.00 C ATOM 1297 C TRP A 81 9.090 3.059 -0.770 1.00 0.00 C ATOM 1298 O TRP A 81 9.708 2.108 -1.248 1.00 0.00 O ATOM 1299 CB TRP A 81 8.919 5.074 -2.268 1.00 0.00 C ATOM 1300 CG TRP A 81 8.019 6.033 -2.995 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.309 7.321 -3.321 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.697 5.766 -3.485 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.234 7.886 -3.977 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.241 6.951 -4.094 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.859 4.655 -3.477 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 4.980 7.050 -4.678 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.605 4.757 -4.063 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.182 5.953 -4.650 1.00 0.00 C ATOM 0 H TRP A 81 6.803 5.374 -1.020 1.00 0.00 H new ATOM 0 HA TRP A 81 7.792 3.253 -2.436 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.457 5.611 -1.487 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.666 4.689 -2.962 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.238 7.825 -3.100 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.187 8.846 -4.319 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.179 3.729 -3.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.649 7.969 -5.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.947 3.901 -4.065 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.198 6.005 -5.091 1.00 0.00 H new ATOM 1319 N ARG A 82 9.167 3.387 0.431 1.00 0.00 N ATOM 1320 CA ARG A 82 9.998 2.622 1.351 1.00 0.00 C ATOM 1321 C ARG A 82 9.448 1.198 1.467 1.00 0.00 C ATOM 1322 O ARG A 82 10.195 0.222 1.431 1.00 0.00 O ATOM 1323 CB ARG A 82 10.031 3.293 2.729 1.00 0.00 C ATOM 1324 CG ARG A 82 11.439 3.476 3.273 1.00 0.00 C ATOM 1325 CD ARG A 82 11.762 4.942 3.525 1.00 0.00 C ATOM 1326 NE ARG A 82 13.003 5.117 4.276 1.00 0.00 N ATOM 1327 CZ ARG A 82 13.676 6.254 4.337 1.00 0.00 C ATOM 1328 NH1 ARG A 82 13.236 7.336 3.697 1.00 0.00 N ATOM 1329 NH2 ARG A 82 14.796 6.326 5.049 1.00 0.00 N ATOM 0 H ARG A 82 8.678 4.179 0.848 1.00 0.00 H new ATOM 0 HA ARG A 82 11.017 2.585 0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.544 4.266 2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.452 2.694 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.545 2.916 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.158 3.062 2.567 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.841 5.463 2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.941 5.403 4.073 1.00 0.00 H new ATOM 0 HE ARG A 82 13.373 4.314 4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.374 7.292 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.762 8.209 3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.137 5.504 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.315 7.203 5.096 1.00 0.00 H new ATOM 1343 N GLU A 83 8.133 1.104 1.598 1.00 0.00 N ATOM 1344 CA GLU A 83 7.456 -0.099 1.701 1.00 0.00 C ATOM 1345 C GLU A 83 7.440 -0.801 0.362 1.00 0.00 C ATOM 1346 O GLU A 83 7.515 -2.032 0.288 1.00 0.00 O ATOM 1347 CB GLU A 83 6.028 0.057 2.191 1.00 0.00 C ATOM 1348 CG GLU A 83 5.598 -0.869 3.253 1.00 0.00 C ATOM 1349 CD GLU A 83 4.296 -1.574 2.904 1.00 0.00 C ATOM 1350 OE1 GLU A 83 4.248 -2.233 1.846 1.00 0.00 O ATOM 1351 OE2 GLU A 83 3.335 -1.458 3.692 1.00 0.00 O ATOM 0 H GLU A 83 7.520 1.919 1.633 1.00 0.00 H new ATOM 0 HA GLU A 83 7.994 -0.690 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.900 1.077 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.359 -0.065 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.378 -1.612 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.473 -0.318 4.185 1.00 0.00 H new ATOM 1358 N LEU A 84 7.352 -0.037 -0.612 1.00 0.00 N ATOM 1359 CA LEU A 84 7.315 -0.543 -1.969 1.00 0.00 C ATOM 1360 C LEU A 84 8.692 -1.021 -2.411 1.00 0.00 C ATOM 1361 O LEU A 84 8.815 -1.878 -3.280 1.00 0.00 O ATOM 1362 CB LEU A 84 6.779 0.427 -2.933 1.00 0.00 C ATOM 1363 CG LEU A 84 5.253 0.572 -2.938 1.00 0.00 C ATOM 1364 CD1 LEU A 84 4.613 -0.434 -3.788 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.691 0.533 -1.521 1.00 0.00 C ATOM 0 H LEU A 84 7.300 0.979 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 84 6.628 -1.389 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.219 1.402 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.103 0.138 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 84 5.023 1.549 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.532 -0.296 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.970 -0.325 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.860 -1.430 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.607 0.638 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.948 -0.417 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.116 1.350 -0.938 1.00 0.00 H new ATOM 1377 N THR A 85 9.740 -0.482 -1.784 1.00 0.00 N ATOM 1378 CA THR A 85 11.095 -0.893 -2.113 1.00 0.00 C ATOM 1379 C THR A 85 11.390 -2.251 -1.474 1.00 0.00 C ATOM 1380 O THR A 85 12.145 -3.054 -2.021 1.00 0.00 O ATOM 1381 CB THR A 85 12.115 0.083 -1.663 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.373 -0.077 -2.272 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.339 0.123 -0.168 1.00 0.00 C ATOM 0 H THR A 85 9.673 0.230 -1.056 1.00 0.00 H new ATOM 0 HA THR A 85 11.153 -0.954 -3.200 1.00 0.00 H new ATOM 0 HB THR A 85 11.668 1.025 -1.981 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.992 0.601 -1.928 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.102 0.866 0.066 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.408 0.389 0.332 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.669 -0.857 0.177 1.00 0.00 H new ATOM 1391 N ALA A 86 10.780 -2.485 -0.313 1.00 0.00 N ATOM 1392 CA ALA A 86 10.952 -3.746 0.304 1.00 0.00 C ATOM 1393 C ALA A 86 9.979 -4.802 -0.157 1.00 0.00 C ATOM 1394 O ALA A 86 10.279 -5.999 -0.138 1.00 0.00 O ATOM 1395 CB ALA A 86 10.763 -3.538 1.804 1.00 0.00 C ATOM 0 H ALA A 86 10.185 -1.824 0.186 1.00 0.00 H new ATOM 0 HA ALA A 86 11.944 -4.111 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.887 -4.489 2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.504 -2.827 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.762 -3.150 1.994 1.00 0.00 H new ATOM 1401 N LYS A 87 8.820 -4.348 -0.603 1.00 0.00 N ATOM 1402 CA LYS A 87 7.807 -5.240 -1.143 1.00 0.00 C ATOM 1403 C LYS A 87 7.230 -4.658 -2.427 1.00 0.00 C ATOM 1404 O LYS A 87 7.128 -3.447 -2.581 1.00 0.00 O ATOM 1405 CB LYS A 87 6.684 -5.457 -0.147 1.00 0.00 C ATOM 1406 CG LYS A 87 7.069 -6.404 0.931 1.00 0.00 C ATOM 1407 CD LYS A 87 7.256 -7.825 0.425 1.00 0.00 C ATOM 1408 CE LYS A 87 6.032 -8.676 0.702 1.00 0.00 C ATOM 1409 NZ LYS A 87 6.314 -10.135 0.542 1.00 0.00 N ATOM 0 H LYS A 87 8.556 -3.363 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 87 8.282 -6.199 -1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.402 -4.501 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.806 -5.839 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.995 -6.063 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.303 -6.397 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.454 -7.808 -0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.128 -8.272 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.679 -8.484 1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.229 -8.386 0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.450 -10.679 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.626 -10.324 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.062 -10.419 1.206 1.00 0.00 H new ATOM 1423 N TYR A 88 6.869 -5.529 -3.363 1.00 0.00 N ATOM 1424 CA TYR A 88 6.318 -5.101 -4.648 1.00 0.00 C ATOM 1425 C TYR A 88 7.402 -4.488 -5.533 1.00 0.00 C ATOM 1426 O TYR A 88 7.118 -3.974 -6.614 1.00 0.00 O ATOM 1427 CB TYR A 88 5.180 -4.095 -4.442 1.00 0.00 C ATOM 1428 CG TYR A 88 4.370 -4.326 -3.189 1.00 0.00 C ATOM 1429 CD1 TYR A 88 3.533 -5.426 -3.059 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.446 -3.439 -2.117 1.00 0.00 C ATOM 1431 CE1 TYR A 88 2.796 -5.634 -1.910 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.715 -3.645 -0.961 1.00 0.00 C ATOM 1433 CZ TYR A 88 2.887 -4.745 -0.871 1.00 0.00 C ATOM 1434 OH TYR A 88 2.148 -4.949 0.211 1.00 0.00 O ATOM 0 H TYR A 88 6.948 -6.540 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 88 5.921 -5.984 -5.149 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.600 -3.090 -4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.514 -4.135 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.457 -6.133 -3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.088 -2.574 -2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.149 -6.495 -1.830 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.792 -2.951 -0.137 1.00 0.00 H new ATOM 0 HH TYR A 88 2.320 -4.238 0.863 1.00 0.00 H new ATOM 1444 N ASP A 89 8.656 -4.550 -5.077 1.00 0.00 N ATOM 1445 CA ASP A 89 9.768 -4.012 -5.838 1.00 0.00 C ATOM 1446 C ASP A 89 9.954 -4.776 -7.147 1.00 0.00 C ATOM 1447 O ASP A 89 9.923 -4.186 -8.230 1.00 0.00 O ATOM 1448 CB ASP A 89 11.058 -4.079 -5.015 1.00 0.00 C ATOM 1449 CG ASP A 89 11.915 -2.843 -5.181 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.358 -1.752 -5.377 1.00 0.00 O ATOM 1451 OD2 ASP A 89 13.160 -2.970 -5.127 1.00 0.00 O ATOM 0 H ASP A 89 8.918 -4.969 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 89 9.543 -2.971 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.807 -4.205 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.631 -4.957 -5.313 1.00 0.00 H new ATOM 1456 N PRO A 90 10.149 -6.114 -7.078 1.00 0.00 N ATOM 1457 CA PRO A 90 10.335 -6.951 -8.259 1.00 0.00 C ATOM 1458 C PRO A 90 9.366 -6.606 -9.383 1.00 0.00 C ATOM 1459 O PRO A 90 9.715 -6.694 -10.562 1.00 0.00 O ATOM 1460 CB PRO A 90 10.090 -8.383 -7.752 1.00 0.00 C ATOM 1461 CG PRO A 90 9.689 -8.247 -6.315 1.00 0.00 C ATOM 1462 CD PRO A 90 10.202 -6.909 -5.853 1.00 0.00 C ATOM 0 HA PRO A 90 11.326 -6.811 -8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 90 9.308 -8.874 -8.331 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.989 -8.991 -7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.606 -8.305 -6.207 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.113 -9.053 -5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.579 -6.485 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 90 11.215 -6.977 -5.456 1.00 0.00 H new ATOM 1470 N THR A 91 8.139 -6.220 -9.027 1.00 0.00 N ATOM 1471 CA THR A 91 7.136 -5.866 -10.024 1.00 0.00 C ATOM 1472 C THR A 91 7.678 -4.802 -10.975 1.00 0.00 C ATOM 1473 O THR A 91 7.941 -5.067 -12.144 1.00 0.00 O ATOM 1474 CB THR A 91 5.850 -5.381 -9.345 1.00 0.00 C ATOM 1475 OG1 THR A 91 6.027 -4.083 -8.808 1.00 0.00 O ATOM 1476 CG2 THR A 91 5.381 -6.283 -8.229 1.00 0.00 C ATOM 0 H THR A 91 7.821 -6.146 -8.061 1.00 0.00 H new ATOM 0 HA THR A 91 6.900 -6.757 -10.606 1.00 0.00 H new ATOM 0 HB THR A 91 5.092 -5.384 -10.129 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.114 -4.141 -7.834 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.467 -5.879 -7.794 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.185 -7.280 -8.625 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.152 -6.343 -7.461 1.00 0.00 H new ATOM 1484 N GLY A 92 7.845 -3.586 -10.458 1.00 0.00 N ATOM 1485 CA GLY A 92 8.370 -2.499 -11.261 1.00 0.00 C ATOM 1486 C GLY A 92 7.573 -2.271 -12.533 1.00 0.00 C ATOM 1487 O GLY A 92 8.068 -2.524 -13.638 1.00 0.00 O ATOM 0 H GLY A 92 7.625 -3.336 -9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.371 -1.584 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.407 -2.712 -11.520 1.00 0.00 H new ATOM 1491 N ASN A 93 6.347 -1.788 -12.381 1.00 0.00 N ATOM 1492 CA ASN A 93 5.485 -1.515 -13.532 1.00 0.00 C ATOM 1493 C ASN A 93 4.255 -0.725 -13.099 1.00 0.00 C ATOM 1494 O ASN A 93 3.843 0.153 -13.773 1.00 0.00 O ATOM 1495 CB ASN A 93 5.066 -2.826 -14.203 1.00 0.00 C ATOM 1496 CG ASN A 93 5.166 -2.762 -15.717 1.00 0.00 C ATOM 1497 OD1 ASN A 93 6.256 -2.674 -16.273 1.00 0.00 O ATOM 1498 ND2 ASN A 93 4.013 -2.794 -16.377 1.00 0.00 N ATOM 0 H ASN A 93 5.925 -1.577 -11.477 1.00 0.00 H new ATOM 0 HA ASN A 93 6.045 -0.918 -14.252 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.695 -3.636 -13.834 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.041 -3.064 -13.919 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.007 -2.744 -17.396 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.134 -2.868 -15.865 1.00 0.00 H new ATOM 1505 N TRP A 94 3.673 -1.123 -11.973 1.00 0.00 N ATOM 1506 CA TRP A 94 2.493 -0.460 -11.441 1.00 0.00 C ATOM 1507 C TRP A 94 2.902 0.539 -10.447 1.00 0.00 C ATOM 1508 O TRP A 94 2.273 1.590 -10.357 1.00 0.00 O ATOM 1509 CB TRP A 94 1.572 -1.487 -10.779 1.00 0.00 C ATOM 1510 CG TRP A 94 1.530 -2.787 -11.524 1.00 0.00 C ATOM 1511 CD1 TRP A 94 2.315 -3.888 -11.298 1.00 0.00 C ATOM 1512 CD2 TRP A 94 0.679 -3.120 -12.632 1.00 0.00 C ATOM 1513 NE1 TRP A 94 1.997 -4.883 -12.193 1.00 0.00 N ATOM 1514 CE2 TRP A 94 0.996 -4.432 -13.021 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -0.254 -2.436 -13.322 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 0.352 -5.071 -14.065 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -0.875 -3.069 -14.368 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -0.542 -4.382 -14.729 1.00 0.00 C ATOM 0 H TRP A 94 4.003 -1.907 -11.410 1.00 0.00 H new ATOM 0 HA TRP A 94 1.959 0.029 -12.256 1.00 0.00 H new ATOM 0 HB2 TRP A 94 1.909 -1.668 -9.758 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.564 -1.077 -10.714 1.00 0.00 H new ATOM 0 HD1 TRP A 94 3.071 -3.963 -10.531 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.432 -5.804 -12.236 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.506 -1.419 -13.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 0.577 -6.096 -14.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.637 -2.545 -14.926 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -1.035 -4.837 -15.576 1.00 0.00 H new ATOM 1529 N ARG A 95 3.970 0.273 -9.709 1.00 0.00 N ATOM 1530 CA ARG A 95 4.487 1.211 -8.735 1.00 0.00 C ATOM 1531 C ARG A 95 4.850 2.522 -9.425 1.00 0.00 C ATOM 1532 O ARG A 95 4.833 3.595 -8.800 1.00 0.00 O ATOM 1533 CB ARG A 95 5.702 0.634 -8.013 1.00 0.00 C ATOM 1534 CG ARG A 95 5.343 -0.134 -6.813 1.00 0.00 C ATOM 1535 CD ARG A 95 4.352 -1.232 -7.178 1.00 0.00 C ATOM 1536 NE ARG A 95 2.971 -0.753 -7.125 1.00 0.00 N ATOM 1537 CZ ARG A 95 2.121 -1.034 -6.138 1.00 0.00 C ATOM 1538 NH1 ARG A 95 2.497 -1.789 -5.111 1.00 0.00 N ATOM 1539 NH2 ARG A 95 0.882 -0.549 -6.172 1.00 0.00 N ATOM 0 H ARG A 95 4.498 -0.597 -9.771 1.00 0.00 H new ATOM 0 HA ARG A 95 3.714 1.401 -7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.254 -0.009 -8.698 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.371 1.447 -7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.237 -0.572 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.907 0.527 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.571 -1.602 -8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.472 -2.073 -6.495 1.00 0.00 H new ATOM 0 HE ARG A 95 2.638 -0.168 -7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.446 -2.161 -5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.837 -1.997 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.585 0.037 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.230 -0.763 -5.418 1.00 0.00 H new ATOM 1553 N LYS A 96 5.176 2.448 -10.714 1.00 0.00 N ATOM 1554 CA LYS A 96 5.535 3.624 -11.488 1.00 0.00 C ATOM 1555 C LYS A 96 4.340 4.569 -11.581 1.00 0.00 C ATOM 1556 O LYS A 96 4.505 5.786 -11.630 1.00 0.00 O ATOM 1557 CB LYS A 96 6.004 3.226 -12.889 1.00 0.00 C ATOM 1558 CG LYS A 96 6.610 4.378 -13.669 1.00 0.00 C ATOM 1559 CD LYS A 96 5.563 5.123 -14.475 1.00 0.00 C ATOM 1560 CE LYS A 96 5.543 4.663 -15.928 1.00 0.00 C ATOM 1561 NZ LYS A 96 6.336 5.582 -16.801 1.00 0.00 N ATOM 0 H LYS A 96 5.197 1.576 -11.243 1.00 0.00 H new ATOM 0 HA LYS A 96 6.356 4.135 -10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.740 2.426 -12.805 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.159 2.823 -13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.097 5.068 -12.980 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.382 3.998 -14.338 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.581 4.967 -14.029 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.765 6.193 -14.434 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.948 3.653 -15.997 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.514 4.619 -16.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.303 5.242 -17.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.934 6.540 -16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.323 5.604 -16.475 1.00 0.00 H new ATOM 1575 N LYS A 97 3.142 4.001 -11.583 1.00 0.00 N ATOM 1576 CA LYS A 97 1.928 4.805 -11.646 1.00 0.00 C ATOM 1577 C LYS A 97 1.775 5.586 -10.343 1.00 0.00 C ATOM 1578 O LYS A 97 1.607 6.807 -10.341 1.00 0.00 O ATOM 1579 CB LYS A 97 0.710 3.915 -11.885 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.528 4.539 -11.463 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.642 4.201 -12.440 1.00 0.00 C ATOM 1582 CE LYS A 97 -1.925 5.363 -13.380 1.00 0.00 C ATOM 1583 NZ LYS A 97 -2.525 4.906 -14.673 1.00 0.00 N ATOM 0 H LYS A 97 2.984 2.994 -11.542 1.00 0.00 H new ATOM 0 HA LYS A 97 2.001 5.505 -12.478 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.646 3.670 -12.945 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.840 2.975 -11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.794 4.197 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.399 5.620 -11.406 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.365 3.321 -13.020 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.548 3.948 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.603 6.065 -12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.998 5.901 -13.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.702 5.729 -15.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.868 4.256 -15.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.422 4.415 -14.485 1.00 0.00 H new ATOM 1597 N TYR A 98 1.867 4.859 -9.235 1.00 0.00 N ATOM 1598 CA TYR A 98 1.756 5.468 -7.920 1.00 0.00 C ATOM 1599 C TYR A 98 2.886 6.485 -7.706 1.00 0.00 C ATOM 1600 O TYR A 98 2.681 7.521 -7.073 1.00 0.00 O ATOM 1601 CB TYR A 98 1.820 4.400 -6.830 1.00 0.00 C ATOM 1602 CG TYR A 98 0.563 3.579 -6.648 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.531 3.879 -7.332 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.551 2.497 -5.784 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.673 3.122 -7.150 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.501 1.743 -5.593 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.649 2.057 -6.278 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.788 1.309 -6.089 1.00 0.00 O ATOM 0 H TYR A 98 2.018 3.850 -9.224 1.00 0.00 H new ATOM 0 HA TYR A 98 0.796 5.980 -7.862 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.645 3.724 -7.056 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.056 4.886 -5.883 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.531 4.707 -8.025 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.455 2.264 -5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.578 3.364 -7.688 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.468 0.900 -4.918 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.541 0.388 -5.864 1.00 0.00 H new ATOM 1618 N GLU A 99 4.062 6.169 -8.236 1.00 0.00 N ATOM 1619 CA GLU A 99 5.216 7.057 -8.092 1.00 0.00 C ATOM 1620 C GLU A 99 5.137 8.206 -9.094 1.00 0.00 C ATOM 1621 O GLU A 99 5.614 9.308 -8.818 1.00 0.00 O ATOM 1622 CB GLU A 99 6.521 6.267 -8.267 1.00 0.00 C ATOM 1623 CG GLU A 99 7.078 6.266 -9.691 1.00 0.00 C ATOM 1624 CD GLU A 99 8.227 5.300 -9.861 1.00 0.00 C ATOM 1625 OE1 GLU A 99 8.351 4.367 -9.051 1.00 0.00 O ATOM 1626 OE2 GLU A 99 9.013 5.484 -10.819 1.00 0.00 O ATOM 0 H GLU A 99 4.244 5.315 -8.764 1.00 0.00 H new ATOM 0 HA GLU A 99 5.205 7.483 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.274 6.681 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.351 5.236 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.282 6.006 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.411 7.271 -9.948 1.00 0.00 H new ATOM 1633 N ASP A 100 4.519 7.950 -10.247 1.00 0.00 N ATOM 1634 CA ASP A 100 4.376 8.972 -11.271 1.00 0.00 C ATOM 1635 C ASP A 100 3.736 10.226 -10.693 1.00 0.00 C ATOM 1636 O ASP A 100 4.155 11.343 -10.974 1.00 0.00 O ATOM 1637 CB ASP A 100 3.541 8.443 -12.434 1.00 0.00 C ATOM 1638 CG ASP A 100 3.335 9.475 -13.525 1.00 0.00 C ATOM 1639 OD1 ASP A 100 4.340 9.890 -14.139 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.174 9.867 -13.764 1.00 0.00 O ATOM 0 H ASP A 100 4.113 7.047 -10.490 1.00 0.00 H new ATOM 0 HA ASP A 100 5.369 9.230 -11.639 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.030 7.566 -12.857 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.570 8.117 -12.060 1.00 0.00 H new ATOM 1645 N ARG A 101 2.710 10.015 -9.863 1.00 0.00 N ATOM 1646 CA ARG A 101 2.013 11.129 -9.230 1.00 0.00 C ATOM 1647 C ARG A 101 2.975 11.946 -8.380 1.00 0.00 C ATOM 1648 O ARG A 101 2.971 13.173 -8.424 1.00 0.00 O ATOM 1649 CB ARG A 101 0.870 10.608 -8.361 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.319 11.401 -8.538 1.00 0.00 C ATOM 1651 CD ARG A 101 -1.060 11.581 -7.220 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.777 12.850 -7.167 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.921 13.076 -7.799 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -3.489 12.123 -8.533 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -3.510 14.266 -7.698 1.00 0.00 N ATOM 0 H ARG A 101 2.350 9.093 -9.618 1.00 0.00 H new ATOM 0 HA ARG A 101 1.605 11.769 -10.012 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.659 9.569 -8.616 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.169 10.624 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.052 12.376 -8.945 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.975 10.921 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.764 10.760 -7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.350 11.531 -6.395 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.376 13.606 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.045 11.208 -8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.369 12.307 -9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.081 15.001 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.390 14.442 -8.183 1.00 0.00 H new ATOM 1669 N ALA A 102 3.800 11.251 -7.594 1.00 0.00 N ATOM 1670 CA ALA A 102 4.769 11.910 -6.740 1.00 0.00 C ATOM 1671 C ALA A 102 5.693 12.819 -7.554 1.00 0.00 C ATOM 1672 O ALA A 102 6.357 13.687 -7.001 1.00 0.00 O ATOM 1673 CB ALA A 102 5.580 10.877 -5.974 1.00 0.00 C ATOM 0 H ALA A 102 3.810 10.233 -7.537 1.00 0.00 H new ATOM 0 HA ALA A 102 4.228 12.533 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.304 11.383 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.913 10.274 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.105 10.232 -6.678 1.00 0.00 H new ATOM 1679 N LYS A 103 5.715 12.614 -8.866 1.00 0.00 N ATOM 1680 CA LYS A 103 6.544 13.416 -9.749 1.00 0.00 C ATOM 1681 C LYS A 103 5.829 14.704 -10.117 1.00 0.00 C ATOM 1682 O LYS A 103 6.438 15.769 -10.229 1.00 0.00 O ATOM 1683 CB LYS A 103 6.909 12.637 -11.002 1.00 0.00 C ATOM 1684 CG LYS A 103 8.210 13.083 -11.650 1.00 0.00 C ATOM 1685 CD LYS A 103 7.971 14.162 -12.690 1.00 0.00 C ATOM 1686 CE LYS A 103 7.915 13.583 -14.096 1.00 0.00 C ATOM 1687 NZ LYS A 103 7.010 12.401 -14.167 1.00 0.00 N ATOM 0 H LYS A 103 5.166 11.897 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 103 7.465 13.665 -9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.984 11.579 -10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.101 12.736 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.889 13.458 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.697 12.227 -12.117 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.036 14.678 -12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.766 14.905 -12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.570 14.348 -14.792 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.918 13.294 -14.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.930 12.084 -15.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.399 11.631 -13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.069 12.662 -13.810 1.00 0.00 H new ATOM 1701 N ALA A 104 4.513 14.602 -10.303 1.00 0.00 N ATOM 1702 CA ALA A 104 3.698 15.758 -10.649 1.00 0.00 C ATOM 1703 C ALA A 104 3.514 16.665 -9.442 1.00 0.00 C ATOM 1704 O ALA A 104 3.398 17.885 -9.582 1.00 0.00 O ATOM 1705 CB ALA A 104 2.355 15.310 -11.198 1.00 0.00 C ATOM 0 H ALA A 104 3.992 13.729 -10.219 1.00 0.00 H new ATOM 0 HA ALA A 104 4.213 16.327 -11.423 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.756 16.184 -11.452 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.511 14.704 -12.091 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.833 14.719 -10.445 1.00 0.00 H new ATOM 1711 N ALA A 105 3.479 16.060 -8.246 1.00 0.00 N ATOM 1712 CA ALA A 105 3.308 16.809 -7.020 1.00 0.00 C ATOM 1713 C ALA A 105 4.654 17.241 -6.448 1.00 0.00 C ATOM 1714 O ALA A 105 4.789 18.357 -5.925 1.00 0.00 O ATOM 1715 CB ALA A 105 2.535 15.984 -6.007 1.00 0.00 C ATOM 0 H ALA A 105 3.568 15.052 -8.115 1.00 0.00 H new ATOM 0 HA ALA A 105 2.738 17.710 -7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.412 16.558 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.555 15.735 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.082 15.066 -5.791 1.00 0.00 H new ATOM 1721 N GLY A 106 5.642 16.353 -6.524 1.00 0.00 N ATOM 1722 CA GLY A 106 6.960 16.654 -5.997 1.00 0.00 C ATOM 1723 C GLY A 106 7.326 15.736 -4.849 1.00 0.00 C ATOM 1724 O GLY A 106 8.496 15.411 -4.661 1.00 0.00 O ATOM 0 H GLY A 106 5.551 15.427 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.700 16.557 -6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.989 17.690 -5.659 1.00 0.00 H new ATOM 1728 N ILE A 107 6.315 15.318 -4.098 1.00 0.00 N ATOM 1729 CA ILE A 107 6.511 14.430 -2.965 1.00 0.00 C ATOM 1730 C ILE A 107 7.224 13.154 -3.396 1.00 0.00 C ATOM 1731 O ILE A 107 6.610 12.233 -3.926 1.00 0.00 O ATOM 1732 CB ILE A 107 5.159 14.058 -2.316 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.347 13.016 -1.216 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.182 13.549 -3.368 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.183 13.512 -0.079 1.00 0.00 C ATOM 0 H ILE A 107 5.343 15.584 -4.257 1.00 0.00 H new ATOM 0 HA ILE A 107 7.125 14.959 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 107 4.745 14.959 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.370 12.715 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.812 12.127 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.236 13.292 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.014 14.326 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.597 12.665 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.280 12.727 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.171 13.787 -0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.707 14.384 0.369 1.00 0.00 H new ATOM 1747 N VAL A 108 8.531 13.099 -3.137 1.00 0.00 N ATOM 1748 CA VAL A 108 9.313 11.925 -3.479 1.00 0.00 C ATOM 1749 C VAL A 108 10.082 11.416 -2.260 1.00 0.00 C ATOM 1750 O VAL A 108 10.411 12.190 -1.360 1.00 0.00 O ATOM 1751 CB VAL A 108 10.292 12.184 -4.629 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.920 10.874 -5.087 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.576 12.871 -5.787 1.00 0.00 C ATOM 0 H VAL A 108 9.061 13.850 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 108 8.604 11.167 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 108 11.085 12.843 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.614 11.069 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.458 10.418 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.138 10.196 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.283 13.049 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.767 12.233 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.165 13.822 -5.448 1.00 0.00 H new ATOM 1763 N ILE A 109 10.362 10.119 -2.238 1.00 0.00 N ATOM 1764 CA ILE A 109 11.082 9.506 -1.123 1.00 0.00 C ATOM 1765 C ILE A 109 12.403 10.232 -0.849 1.00 0.00 C ATOM 1766 O ILE A 109 13.386 10.054 -1.570 1.00 0.00 O ATOM 1767 CB ILE A 109 11.339 8.010 -1.389 1.00 0.00 C ATOM 1768 CG1 ILE A 109 11.691 7.305 -0.082 1.00 0.00 C ATOM 1769 CG2 ILE A 109 12.424 7.803 -2.430 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.475 6.867 0.625 1.00 0.00 C ATOM 0 H ILE A 109 10.102 9.468 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 109 10.454 9.597 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 109 10.425 7.573 -1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.326 6.444 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.264 7.978 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 109 12.576 6.736 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.123 8.271 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.353 8.254 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.754 6.368 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 109 9.854 7.734 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.917 6.175 -0.006 1.00 0.00 H new ATOM 1782 N PRO A 110 12.454 11.067 0.132 1.00 0.00 N ATOM 1783 CA PRO A 110 13.657 11.818 0.493 1.00 0.00 C ATOM 1784 C PRO A 110 14.665 10.975 1.256 1.00 0.00 C ATOM 1785 O PRO A 110 15.200 11.405 2.283 1.00 0.00 O ATOM 1786 CB PRO A 110 13.125 12.962 1.373 1.00 0.00 C ATOM 1787 CG PRO A 110 11.636 12.793 1.441 1.00 0.00 C ATOM 1788 CD PRO A 110 11.348 11.371 1.042 1.00 0.00 C ATOM 0 HA PRO A 110 14.195 12.164 -0.390 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.565 12.922 2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 110 13.386 13.931 0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.268 12.996 2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.135 13.493 0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.335 10.703 1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.380 11.276 0.550 1.00 0.00 H new ATOM 1796 N GLU A 111 14.926 9.764 0.772 1.00 0.00 N ATOM 1797 CA GLU A 111 15.869 8.865 1.420 1.00 0.00 C ATOM 1798 C GLU A 111 17.298 9.329 1.182 1.00 0.00 C ATOM 1799 O GLU A 111 18.022 8.765 0.373 1.00 0.00 O ATOM 1800 CB GLU A 111 15.691 7.440 0.923 1.00 0.00 C ATOM 1801 CG GLU A 111 15.539 7.326 -0.503 1.00 0.00 C ATOM 1802 CD GLU A 111 16.534 6.364 -1.124 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.855 5.343 -0.476 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.999 6.638 -2.249 1.00 0.00 O ATOM 0 H GLU A 111 14.494 9.384 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 111 15.668 8.882 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.553 6.849 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.816 7.006 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.527 6.992 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.660 8.310 -0.957 1.00 0.00 H new ATOM 1811 N GLU A 112 17.703 10.365 1.911 1.00 0.00 N ATOM 1812 CA GLU A 112 19.054 10.912 1.802 1.00 0.00 C ATOM 1813 C GLU A 112 19.408 11.193 0.346 1.00 0.00 C ATOM 1814 O GLU A 112 19.191 12.340 -0.063 1.00 0.00 O ATOM 1815 CB GLU A 112 20.065 9.941 2.414 1.00 0.00 C ATOM 1816 CG GLU A 112 21.504 10.256 2.062 1.00 0.00 C ATOM 1817 CD GLU A 112 22.495 9.579 3.003 1.00 0.00 C ATOM 1818 OE1 GLU A 112 22.681 10.087 4.127 1.00 0.00 O ATOM 1819 OE2 GLU A 112 23.065 8.535 2.621 1.00 0.00 O ATOM 1820 OXT GLU A 112 19.890 10.263 -0.258 1.00 0.00 O ATOM 0 H GLU A 112 17.111 10.846 2.588 1.00 0.00 H new ATOM 0 HA GLU A 112 19.090 11.853 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.955 9.952 3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.832 8.930 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 112 21.703 9.937 1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.655 11.335 2.095 1.00 0.00 H new