USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 433 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 54 GLN : amide:sc= -4! X(o=-4!,f=-4.4) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.02) USER MOD Single : A 18 LYS NZ :NH3+ -141:sc= -0.0122 (180deg=-0.815) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.829 K(o=-0.83,f=-0.047) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.37! C(o=-1.4!,f=-5.7!) USER MOD Single : A 47 THR OG1 : rot -111:sc= -0.36 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.7) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -2.33 X(o=-2.3,f=-2.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 11 3.430 1.883 9.307 1.00 0.00 N ATOM 117 CA TRP A 11 2.126 1.238 9.208 1.00 0.00 C ATOM 118 C TRP A 11 1.921 0.246 10.348 1.00 0.00 C ATOM 119 O TRP A 11 2.641 -0.747 10.457 1.00 0.00 O ATOM 120 CB TRP A 11 1.987 0.524 7.863 1.00 0.00 C ATOM 121 CG TRP A 11 1.956 1.460 6.693 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.007 2.165 6.179 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.817 1.795 5.894 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.590 2.918 5.108 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.250 2.708 4.912 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.527 1.412 5.910 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.387 3.242 3.959 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.383 1.943 4.964 1.00 0.00 C ATOM 129 CH2 TRP A 11 -0.923 2.849 3.999 1.00 0.00 C ATOM 0 HA TRP A 11 1.361 2.010 9.281 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.818 -0.171 7.741 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.073 -0.070 7.868 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.018 2.135 6.559 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.182 3.533 4.550 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.890 0.713 6.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.739 3.941 3.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.424 1.655 4.968 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.617 3.245 3.272 1.00 0.00 H new ATOM 140 N THR A 12 0.935 0.521 11.196 1.00 0.00 N ATOM 141 CA THR A 12 0.637 -0.347 12.328 1.00 0.00 C ATOM 142 C THR A 12 -0.358 -1.435 11.940 1.00 0.00 C ATOM 143 O THR A 12 -1.165 -1.256 11.027 1.00 0.00 O ATOM 144 CB THR A 12 0.068 0.453 13.515 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.013 -0.382 14.675 1.00 0.00 O ATOM 146 CG2 THR A 12 -1.311 1.004 13.184 1.00 0.00 C ATOM 0 H THR A 12 0.329 1.338 11.120 1.00 0.00 H new ATOM 0 HA THR A 12 1.578 -0.809 12.628 1.00 0.00 H new ATOM 0 HB THR A 12 0.738 1.289 13.716 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.374 0.135 15.425 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.693 1.565 14.037 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.242 1.662 12.318 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.988 0.180 12.960 1.00 0.00 H new ATOM 154 N VAL A 13 -0.296 -2.564 12.639 1.00 0.00 N ATOM 155 CA VAL A 13 -1.193 -3.681 12.368 1.00 0.00 C ATOM 156 C VAL A 13 -2.578 -3.188 11.965 1.00 0.00 C ATOM 157 O VAL A 13 -3.151 -3.655 10.981 1.00 0.00 O ATOM 158 CB VAL A 13 -1.326 -4.604 13.594 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.892 -3.839 14.780 1.00 0.00 C ATOM 160 CG2 VAL A 13 -2.194 -5.808 13.262 1.00 0.00 C ATOM 0 H VAL A 13 0.366 -2.729 13.397 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.757 -4.245 11.543 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.334 -4.964 13.865 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.979 -4.508 15.636 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.227 -3.012 15.031 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.877 -3.448 14.524 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.277 -6.449 14.139 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.186 -5.470 12.964 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.741 -6.369 12.444 1.00 0.00 H new ATOM 170 N GLU A 14 -3.110 -2.241 12.732 1.00 0.00 N ATOM 171 CA GLU A 14 -4.429 -1.685 12.453 1.00 0.00 C ATOM 172 C GLU A 14 -4.532 -1.230 11.001 1.00 0.00 C ATOM 173 O GLU A 14 -5.457 -1.612 10.284 1.00 0.00 O ATOM 174 CB GLU A 14 -4.720 -0.510 13.389 1.00 0.00 C ATOM 175 CG GLU A 14 -5.100 -0.934 14.798 1.00 0.00 C ATOM 176 CD GLU A 14 -5.994 0.077 15.490 1.00 0.00 C ATOM 177 OE1 GLU A 14 -7.194 0.138 15.152 1.00 0.00 O ATOM 178 OE2 GLU A 14 -5.492 0.806 16.371 1.00 0.00 O ATOM 0 H GLU A 14 -2.649 -1.843 13.550 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.168 -2.468 12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.841 0.132 13.437 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.529 0.088 12.968 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.609 -1.897 14.759 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.194 -1.076 15.387 1.00 0.00 H new ATOM 185 N GLU A 15 -3.576 -0.410 10.574 1.00 0.00 N ATOM 186 CA GLU A 15 -3.560 0.099 9.208 1.00 0.00 C ATOM 187 C GLU A 15 -3.243 -1.017 8.216 1.00 0.00 C ATOM 188 O GLU A 15 -3.924 -1.172 7.203 1.00 0.00 O ATOM 189 CB GLU A 15 -2.534 1.225 9.071 1.00 0.00 C ATOM 190 CG GLU A 15 -2.962 2.523 9.737 1.00 0.00 C ATOM 191 CD GLU A 15 -1.852 3.554 9.772 1.00 0.00 C ATOM 192 OE1 GLU A 15 -0.801 3.275 10.385 1.00 0.00 O ATOM 193 OE2 GLU A 15 -2.034 4.642 9.185 1.00 0.00 O ATOM 0 H GLU A 15 -2.803 -0.084 11.155 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.551 0.492 8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.589 0.899 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.352 1.412 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.819 2.935 9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.290 2.314 10.755 1.00 0.00 H new ATOM 200 N GLN A 16 -2.203 -1.788 8.515 1.00 0.00 N ATOM 201 CA GLN A 16 -1.794 -2.888 7.649 1.00 0.00 C ATOM 202 C GLN A 16 -3.007 -3.654 7.133 1.00 0.00 C ATOM 203 O GLN A 16 -3.167 -3.846 5.927 1.00 0.00 O ATOM 204 CB GLN A 16 -0.859 -3.836 8.401 1.00 0.00 C ATOM 205 CG GLN A 16 0.603 -3.425 8.340 1.00 0.00 C ATOM 206 CD GLN A 16 1.543 -4.549 8.729 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.852 -5.424 7.919 1.00 0.00 O ATOM 208 NE2 GLN A 16 2.003 -4.532 9.974 1.00 0.00 N ATOM 0 H GLN A 16 -1.628 -1.672 9.350 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.263 -2.467 6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.170 -3.887 9.444 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.963 -4.839 7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.841 -3.091 7.330 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.765 -2.575 9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.721 -3.788 10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.639 -5.263 10.293 1.00 0.00 H new ATOM 217 N LYS A 17 -3.860 -4.092 8.053 1.00 0.00 N ATOM 218 CA LYS A 17 -5.060 -4.837 7.692 1.00 0.00 C ATOM 219 C LYS A 17 -6.090 -3.924 7.036 1.00 0.00 C ATOM 220 O LYS A 17 -6.813 -4.338 6.129 1.00 0.00 O ATOM 221 CB LYS A 17 -5.666 -5.499 8.932 1.00 0.00 C ATOM 222 CG LYS A 17 -6.118 -4.509 9.991 1.00 0.00 C ATOM 223 CD LYS A 17 -7.185 -5.106 10.893 1.00 0.00 C ATOM 224 CE LYS A 17 -7.672 -4.098 11.923 1.00 0.00 C ATOM 225 NZ LYS A 17 -8.525 -3.045 11.307 1.00 0.00 N ATOM 0 H LYS A 17 -3.742 -3.944 9.055 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.777 -5.609 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.518 -6.108 8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.931 -6.175 9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.262 -4.202 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.508 -3.612 9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.026 -5.445 10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.784 -5.983 11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.237 -4.615 12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.815 -3.633 12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.919 -2.437 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.951 -2.469 10.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.301 -3.492 10.778 1.00 0.00 H new ATOM 239 N LYS A 18 -6.152 -2.680 7.498 1.00 0.00 N ATOM 240 CA LYS A 18 -7.091 -1.707 6.954 1.00 0.00 C ATOM 241 C LYS A 18 -6.857 -1.500 5.461 1.00 0.00 C ATOM 242 O LYS A 18 -7.734 -1.775 4.641 1.00 0.00 O ATOM 243 CB LYS A 18 -6.960 -0.372 7.692 1.00 0.00 C ATOM 244 CG LYS A 18 -8.234 0.454 7.686 1.00 0.00 C ATOM 245 CD LYS A 18 -8.495 1.066 6.319 1.00 0.00 C ATOM 246 CE LYS A 18 -9.833 1.788 6.279 1.00 0.00 C ATOM 247 NZ LYS A 18 -9.758 3.131 6.919 1.00 0.00 N ATOM 0 H LYS A 18 -5.562 -2.322 8.249 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.100 -2.095 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.667 -0.564 8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.158 0.209 7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.078 -0.174 7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.159 1.245 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.696 1.765 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.479 0.284 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.156 1.897 5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.586 1.185 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.629 3.308 7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.941 3.164 7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.652 3.860 6.185 1.00 0.00 H new ATOM 261 N LEU A 19 -5.670 -1.014 5.115 1.00 0.00 N ATOM 262 CA LEU A 19 -5.320 -0.772 3.720 1.00 0.00 C ATOM 263 C LEU A 19 -5.676 -1.975 2.852 1.00 0.00 C ATOM 264 O LEU A 19 -6.282 -1.828 1.791 1.00 0.00 O ATOM 265 CB LEU A 19 -3.827 -0.462 3.595 1.00 0.00 C ATOM 266 CG LEU A 19 -3.204 -0.705 2.220 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.805 0.236 1.187 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.693 -0.537 2.282 1.00 0.00 C ATOM 0 H LEU A 19 -4.934 -0.780 5.781 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.894 0.086 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.670 0.583 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.289 -1.064 4.327 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.424 -1.729 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.349 0.048 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.880 0.067 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.617 1.268 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.266 -0.714 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.452 0.476 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.276 -1.253 2.991 1.00 0.00 H new ATOM 280 N GLU A 20 -5.296 -3.163 3.312 1.00 0.00 N ATOM 281 CA GLU A 20 -5.577 -4.391 2.577 1.00 0.00 C ATOM 282 C GLU A 20 -7.046 -4.457 2.171 1.00 0.00 C ATOM 283 O GLU A 20 -7.368 -4.733 1.015 1.00 0.00 O ATOM 284 CB GLU A 20 -5.215 -5.612 3.425 1.00 0.00 C ATOM 285 CG GLU A 20 -3.769 -6.052 3.272 1.00 0.00 C ATOM 286 CD GLU A 20 -3.505 -6.741 1.947 1.00 0.00 C ATOM 287 OE1 GLU A 20 -4.366 -7.530 1.506 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.437 -6.490 1.351 1.00 0.00 O ATOM 0 H GLU A 20 -4.794 -3.301 4.189 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.968 -4.392 1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.408 -5.386 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.869 -6.440 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.117 -5.183 3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.511 -6.729 4.087 1.00 0.00 H new ATOM 295 N GLN A 21 -7.931 -4.203 3.129 1.00 0.00 N ATOM 296 CA GLN A 21 -9.366 -4.236 2.871 1.00 0.00 C ATOM 297 C GLN A 21 -9.760 -3.174 1.849 1.00 0.00 C ATOM 298 O GLN A 21 -10.575 -3.424 0.960 1.00 0.00 O ATOM 299 CB GLN A 21 -10.145 -4.024 4.170 1.00 0.00 C ATOM 300 CG GLN A 21 -10.172 -5.249 5.070 1.00 0.00 C ATOM 301 CD GLN A 21 -11.334 -6.172 4.763 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.226 -7.070 3.927 1.00 0.00 O ATOM 303 NE2 GLN A 21 -12.456 -5.957 5.441 1.00 0.00 N ATOM 0 H GLN A 21 -7.680 -3.972 4.090 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.613 -5.216 2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.703 -3.191 4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.169 -3.739 3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.237 -5.798 4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.231 -4.930 6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.502 -5.202 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.272 -6.547 5.278 1.00 0.00 H new ATOM 312 N LEU A 22 -9.176 -1.988 1.982 1.00 0.00 N ATOM 313 CA LEU A 22 -9.466 -0.886 1.071 1.00 0.00 C ATOM 314 C LEU A 22 -9.056 -1.237 -0.356 1.00 0.00 C ATOM 315 O LEU A 22 -9.847 -1.102 -1.291 1.00 0.00 O ATOM 316 CB LEU A 22 -8.740 0.382 1.524 1.00 0.00 C ATOM 317 CG LEU A 22 -9.257 1.027 2.811 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.177 1.889 3.447 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.503 1.853 2.530 1.00 0.00 C ATOM 0 H LEU A 22 -8.499 -1.765 2.712 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.541 -0.707 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.685 0.144 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.801 1.118 0.722 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.521 0.234 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.563 2.340 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.311 1.271 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.882 2.675 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.857 2.304 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.265 2.638 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.281 1.210 2.120 1.00 0.00 H new ATOM 331 N LEU A 23 -7.818 -1.690 -0.515 1.00 0.00 N ATOM 332 CA LEU A 23 -7.303 -2.064 -1.828 1.00 0.00 C ATOM 333 C LEU A 23 -8.377 -2.766 -2.654 1.00 0.00 C ATOM 334 O LEU A 23 -8.653 -2.377 -3.790 1.00 0.00 O ATOM 335 CB LEU A 23 -6.082 -2.974 -1.679 1.00 0.00 C ATOM 336 CG LEU A 23 -4.833 -2.327 -1.081 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.851 -3.391 -0.617 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.177 -1.398 -2.092 1.00 0.00 C ATOM 0 H LEU A 23 -7.152 -1.807 0.248 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.008 -1.153 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.361 -3.824 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.827 -3.370 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.133 -1.736 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.968 -2.912 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.323 -4.016 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.557 -4.009 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.289 -0.946 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.891 -1.967 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.880 -0.614 -2.376 1.00 0.00 H new ATOM 350 N ILE A 24 -8.979 -3.799 -2.076 1.00 0.00 N ATOM 351 CA ILE A 24 -10.025 -4.553 -2.758 1.00 0.00 C ATOM 352 C ILE A 24 -11.220 -3.664 -3.082 1.00 0.00 C ATOM 353 O ILE A 24 -11.735 -3.679 -4.200 1.00 0.00 O ATOM 354 CB ILE A 24 -10.502 -5.747 -1.910 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.336 -6.697 -1.627 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.630 -6.481 -2.618 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.510 -7.506 -0.360 1.00 0.00 C ATOM 0 H ILE A 24 -8.761 -4.134 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.591 -4.927 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.879 -5.371 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.220 -7.378 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.415 -6.118 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.957 -7.322 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.466 -5.799 -2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.277 -6.848 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.647 -8.157 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.596 -6.833 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.413 -8.112 -0.436 1.00 0.00 H new ATOM 369 N LYS A 25 -11.658 -2.888 -2.096 1.00 0.00 N ATOM 370 CA LYS A 25 -12.792 -1.989 -2.275 1.00 0.00 C ATOM 371 C LYS A 25 -12.551 -1.035 -3.441 1.00 0.00 C ATOM 372 O LYS A 25 -13.444 -0.794 -4.254 1.00 0.00 O ATOM 373 CB LYS A 25 -13.044 -1.191 -0.994 1.00 0.00 C ATOM 374 CG LYS A 25 -14.357 -0.428 -1.001 1.00 0.00 C ATOM 375 CD LYS A 25 -14.333 0.734 -0.022 1.00 0.00 C ATOM 376 CE LYS A 25 -15.469 1.709 -0.286 1.00 0.00 C ATOM 377 NZ LYS A 25 -15.868 2.443 0.948 1.00 0.00 N ATOM 0 H LYS A 25 -11.244 -2.864 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.671 -2.594 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.034 -1.873 -0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.225 -0.487 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.556 -0.054 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.173 -1.104 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.408 0.354 0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.379 1.256 -0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.164 2.423 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.329 1.167 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.645 3.098 0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.183 1.763 1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.055 2.981 1.310 1.00 0.00 H new ATOM 391 N TYR A 26 -11.339 -0.497 -3.519 1.00 0.00 N ATOM 392 CA TYR A 26 -10.981 0.431 -4.585 1.00 0.00 C ATOM 393 C TYR A 26 -10.079 -0.244 -5.614 1.00 0.00 C ATOM 394 O TYR A 26 -8.856 -0.280 -5.477 1.00 0.00 O ATOM 395 CB TYR A 26 -10.281 1.661 -4.005 1.00 0.00 C ATOM 396 CG TYR A 26 -11.209 2.587 -3.251 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.173 3.331 -3.920 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.121 2.718 -1.871 1.00 0.00 C ATOM 399 CE1 TYR A 26 -13.023 4.179 -3.235 1.00 0.00 C ATOM 400 CE2 TYR A 26 -11.967 3.562 -1.178 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.916 4.290 -1.865 1.00 0.00 C ATOM 402 OH TYR A 26 -13.760 5.133 -1.178 1.00 0.00 O ATOM 0 H TYR A 26 -10.587 -0.688 -2.856 1.00 0.00 H new ATOM 0 HA TYR A 26 -11.898 0.745 -5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.485 1.334 -3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.808 2.215 -4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.260 3.245 -4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.378 2.150 -1.330 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.767 4.751 -3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.886 3.651 -0.105 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.554 5.094 -0.221 1.00 0.00 H new ATOM 412 N PRO A 27 -10.697 -0.791 -6.672 1.00 0.00 N ATOM 413 CA PRO A 27 -9.970 -1.474 -7.746 1.00 0.00 C ATOM 414 C PRO A 27 -9.154 -0.508 -8.599 1.00 0.00 C ATOM 415 O PRO A 27 -9.279 0.712 -8.489 1.00 0.00 O ATOM 416 CB PRO A 27 -11.085 -2.111 -8.579 1.00 0.00 C ATOM 417 CG PRO A 27 -12.283 -1.265 -8.319 1.00 0.00 C ATOM 418 CD PRO A 27 -12.152 -0.786 -6.900 1.00 0.00 C ATOM 0 HA PRO A 27 -9.247 -2.191 -7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.830 -2.122 -9.639 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.259 -3.145 -8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.325 -0.425 -9.012 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.201 -1.837 -8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.576 0.210 -6.771 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.670 -1.445 -6.204 1.00 0.00 H new ATOM 426 N PRO A 28 -8.299 -1.064 -9.470 1.00 0.00 N ATOM 427 CA PRO A 28 -7.447 -0.269 -10.359 1.00 0.00 C ATOM 428 C PRO A 28 -8.247 0.441 -11.447 1.00 0.00 C ATOM 429 O PRO A 28 -8.828 -0.201 -12.321 1.00 0.00 O ATOM 430 CB PRO A 28 -6.511 -1.310 -10.978 1.00 0.00 C ATOM 431 CG PRO A 28 -7.269 -2.591 -10.906 1.00 0.00 C ATOM 432 CD PRO A 28 -8.099 -2.511 -9.655 1.00 0.00 C ATOM 0 HA PRO A 28 -6.928 0.526 -9.823 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.261 -1.055 -12.008 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.572 -1.374 -10.429 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.900 -2.721 -11.785 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.591 -3.444 -10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.047 -3.037 -9.768 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.586 -2.958 -8.803 1.00 0.00 H new ATOM 440 N GLU A 29 -8.270 1.769 -11.386 1.00 0.00 N ATOM 441 CA GLU A 29 -8.999 2.565 -12.366 1.00 0.00 C ATOM 442 C GLU A 29 -8.041 3.219 -13.357 1.00 0.00 C ATOM 443 O GLU A 29 -6.838 3.302 -13.110 1.00 0.00 O ATOM 444 CB GLU A 29 -9.835 3.638 -11.665 1.00 0.00 C ATOM 445 CG GLU A 29 -9.002 4.701 -10.969 1.00 0.00 C ATOM 446 CD GLU A 29 -9.805 5.940 -10.626 1.00 0.00 C ATOM 447 OE1 GLU A 29 -9.881 6.851 -11.477 1.00 0.00 O ATOM 448 OE2 GLU A 29 -10.358 5.999 -9.508 1.00 0.00 O ATOM 0 H GLU A 29 -7.793 2.315 -10.669 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.663 1.898 -12.915 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.483 4.119 -12.398 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.484 3.159 -10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.577 4.284 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.167 4.980 -11.611 1.00 0.00 H new ATOM 455 N GLU A 30 -8.583 3.680 -14.480 1.00 0.00 N ATOM 456 CA GLU A 30 -7.776 4.326 -15.508 1.00 0.00 C ATOM 457 C GLU A 30 -6.692 5.198 -14.882 1.00 0.00 C ATOM 458 O GLU A 30 -5.539 5.180 -15.312 1.00 0.00 O ATOM 459 CB GLU A 30 -8.661 5.172 -16.426 1.00 0.00 C ATOM 460 CG GLU A 30 -9.492 6.206 -15.686 1.00 0.00 C ATOM 461 CD GLU A 30 -10.215 7.154 -16.623 1.00 0.00 C ATOM 462 OE1 GLU A 30 -10.930 6.667 -17.524 1.00 0.00 O ATOM 463 OE2 GLU A 30 -10.065 8.382 -16.456 1.00 0.00 O ATOM 0 H GLU A 30 -9.577 3.618 -14.701 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.294 3.546 -16.098 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.031 5.680 -17.157 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.328 4.513 -16.982 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.222 5.697 -15.056 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.844 6.780 -15.023 1.00 0.00 H new ATOM 470 N VAL A 31 -7.072 5.963 -13.863 1.00 0.00 N ATOM 471 CA VAL A 31 -6.134 6.843 -13.177 1.00 0.00 C ATOM 472 C VAL A 31 -5.723 6.263 -11.828 1.00 0.00 C ATOM 473 O VAL A 31 -6.411 6.450 -10.825 1.00 0.00 O ATOM 474 CB VAL A 31 -6.735 8.244 -12.959 1.00 0.00 C ATOM 475 CG1 VAL A 31 -5.691 9.191 -12.387 1.00 0.00 C ATOM 476 CG2 VAL A 31 -7.304 8.788 -14.260 1.00 0.00 C ATOM 0 H VAL A 31 -8.023 5.991 -13.495 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.255 6.928 -13.816 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.549 8.162 -12.239 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.135 10.176 -12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.336 8.807 -11.431 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.853 9.270 -13.080 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.724 9.779 -14.087 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.510 8.855 -15.004 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.086 8.120 -14.623 1.00 0.00 H new ATOM 486 N GLU A 32 -4.596 5.558 -11.812 1.00 0.00 N ATOM 487 CA GLU A 32 -4.094 4.950 -10.585 1.00 0.00 C ATOM 488 C GLU A 32 -4.064 5.966 -9.447 1.00 0.00 C ATOM 489 O GLU A 32 -4.483 5.672 -8.327 1.00 0.00 O ATOM 490 CB GLU A 32 -2.692 4.378 -10.810 1.00 0.00 C ATOM 491 CG GLU A 32 -2.302 3.309 -9.803 1.00 0.00 C ATOM 492 CD GLU A 32 -0.835 2.937 -9.886 1.00 0.00 C ATOM 493 OE1 GLU A 32 0.005 3.855 -9.994 1.00 0.00 O ATOM 494 OE2 GLU A 32 -0.526 1.728 -9.845 1.00 0.00 O ATOM 0 H GLU A 32 -4.014 5.394 -12.633 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.769 4.140 -10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.637 3.957 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.966 5.190 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.527 3.664 -8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.909 2.419 -9.970 1.00 0.00 H new ATOM 501 N SER A 33 -3.565 7.162 -9.742 1.00 0.00 N ATOM 502 CA SER A 33 -3.476 8.221 -8.743 1.00 0.00 C ATOM 503 C SER A 33 -4.784 8.347 -7.967 1.00 0.00 C ATOM 504 O SER A 33 -4.790 8.352 -6.736 1.00 0.00 O ATOM 505 CB SER A 33 -3.136 9.554 -9.412 1.00 0.00 C ATOM 506 OG SER A 33 -3.086 10.603 -8.461 1.00 0.00 O ATOM 0 H SER A 33 -3.216 7.422 -10.665 1.00 0.00 H new ATOM 0 HA SER A 33 -2.682 7.961 -8.043 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.176 9.474 -9.921 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.882 9.784 -10.173 1.00 0.00 H new ATOM 0 HG SER A 33 -2.865 11.444 -8.913 1.00 0.00 H new ATOM 512 N ARG A 34 -5.890 8.449 -8.697 1.00 0.00 N ATOM 513 CA ARG A 34 -7.204 8.576 -8.078 1.00 0.00 C ATOM 514 C ARG A 34 -7.463 7.425 -7.110 1.00 0.00 C ATOM 515 O ARG A 34 -7.869 7.641 -5.968 1.00 0.00 O ATOM 516 CB ARG A 34 -8.295 8.610 -9.150 1.00 0.00 C ATOM 517 CG ARG A 34 -8.422 9.955 -9.847 1.00 0.00 C ATOM 518 CD ARG A 34 -9.656 10.008 -10.734 1.00 0.00 C ATOM 519 NE ARG A 34 -10.056 11.380 -11.034 1.00 0.00 N ATOM 520 CZ ARG A 34 -10.627 12.189 -10.148 1.00 0.00 C ATOM 521 NH1 ARG A 34 -10.863 11.765 -8.914 1.00 0.00 N ATOM 522 NH2 ARG A 34 -10.963 13.424 -10.496 1.00 0.00 N ATOM 0 H ARG A 34 -5.902 8.446 -9.717 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.225 9.511 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.085 7.843 -9.895 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.251 8.356 -8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.474 10.749 -9.102 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.532 10.140 -10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.456 9.477 -11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.479 9.490 -10.242 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.888 11.737 -11.975 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.606 10.816 -8.643 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.301 12.388 -8.236 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.783 13.753 -11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.401 14.044 -9.815 1.00 0.00 H new ATOM 536 N ARG A 35 -7.226 6.203 -7.575 1.00 0.00 N ATOM 537 CA ARG A 35 -7.435 5.018 -6.751 1.00 0.00 C ATOM 538 C ARG A 35 -6.841 5.212 -5.359 1.00 0.00 C ATOM 539 O ARG A 35 -7.520 5.018 -4.351 1.00 0.00 O ATOM 540 CB ARG A 35 -6.811 3.791 -7.418 1.00 0.00 C ATOM 541 CG ARG A 35 -6.796 2.557 -6.530 1.00 0.00 C ATOM 542 CD ARG A 35 -5.871 1.484 -7.082 1.00 0.00 C ATOM 543 NE ARG A 35 -5.769 0.336 -6.186 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.316 -0.854 -6.566 1.00 0.00 C ATOM 545 NH1 ARG A 35 -4.925 -1.050 -7.818 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.253 -1.851 -5.692 1.00 0.00 N ATOM 0 H ARG A 35 -6.889 6.007 -8.518 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.509 4.861 -6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.362 3.565 -8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.789 4.029 -7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.475 2.834 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.807 2.158 -6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.238 1.154 -8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.880 1.908 -7.243 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.061 0.454 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.972 -0.286 -8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.578 -1.965 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.552 -1.704 -4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.905 -2.764 -5.984 1.00 0.00 H new ATOM 560 N TRP A 36 -5.571 5.595 -5.312 1.00 0.00 N ATOM 561 CA TRP A 36 -4.885 5.815 -4.044 1.00 0.00 C ATOM 562 C TRP A 36 -5.591 6.887 -3.222 1.00 0.00 C ATOM 563 O TRP A 36 -5.819 6.713 -2.025 1.00 0.00 O ATOM 564 CB TRP A 36 -3.431 6.219 -4.290 1.00 0.00 C ATOM 565 CG TRP A 36 -2.735 5.352 -5.296 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.993 5.770 -6.364 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.718 3.921 -5.327 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.516 4.684 -7.058 1.00 0.00 N ATOM 569 CE2 TRP A 36 -1.946 3.538 -6.442 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.278 2.926 -4.522 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.723 2.204 -6.769 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.056 1.602 -4.849 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.284 1.250 -5.964 1.00 0.00 C ATOM 0 H TRP A 36 -4.995 5.760 -6.137 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.905 4.881 -3.482 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.402 7.254 -4.631 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.886 6.179 -3.347 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.808 6.802 -6.625 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.936 4.724 -7.896 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.874 3.187 -3.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.128 1.931 -7.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.485 0.825 -4.234 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.129 0.206 -6.193 1.00 0.00 H new ATOM 584 N GLN A 37 -5.937 7.994 -3.871 1.00 0.00 N ATOM 585 CA GLN A 37 -6.617 9.093 -3.198 1.00 0.00 C ATOM 586 C GLN A 37 -7.836 8.591 -2.431 1.00 0.00 C ATOM 587 O GLN A 37 -8.048 8.955 -1.274 1.00 0.00 O ATOM 588 CB GLN A 37 -7.041 10.156 -4.213 1.00 0.00 C ATOM 589 CG GLN A 37 -7.672 11.385 -3.579 1.00 0.00 C ATOM 590 CD GLN A 37 -6.644 12.334 -2.996 1.00 0.00 C ATOM 591 OE1 GLN A 37 -6.377 13.399 -3.554 1.00 0.00 O ATOM 592 NE2 GLN A 37 -6.060 11.953 -1.866 1.00 0.00 N ATOM 0 H GLN A 37 -5.757 8.153 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.920 9.537 -2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.169 10.463 -4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.749 9.715 -4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.264 11.912 -4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.359 11.071 -2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.311 11.062 -1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.360 12.551 -1.427 1.00 0.00 H new ATOM 601 N LYS A 38 -8.635 7.753 -3.082 1.00 0.00 N ATOM 602 CA LYS A 38 -9.832 7.199 -2.462 1.00 0.00 C ATOM 603 C LYS A 38 -9.476 6.386 -1.221 1.00 0.00 C ATOM 604 O LYS A 38 -10.098 6.539 -0.169 1.00 0.00 O ATOM 605 CB LYS A 38 -10.589 6.319 -3.460 1.00 0.00 C ATOM 606 CG LYS A 38 -11.030 7.060 -4.710 1.00 0.00 C ATOM 607 CD LYS A 38 -11.736 6.135 -5.687 1.00 0.00 C ATOM 608 CE LYS A 38 -11.772 6.725 -7.088 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.936 7.635 -7.277 1.00 0.00 N ATOM 0 H LYS A 38 -8.475 7.442 -4.040 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.471 8.029 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.953 5.482 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.466 5.898 -2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.697 7.876 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.162 7.508 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.227 5.172 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.754 5.949 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.849 7.273 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.818 5.919 -7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.925 8.017 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.818 7.106 -7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.879 8.418 -6.595 1.00 0.00 H new ATOM 623 N ILE A 39 -8.473 5.525 -1.351 1.00 0.00 N ATOM 624 CA ILE A 39 -8.034 4.692 -0.239 1.00 0.00 C ATOM 625 C ILE A 39 -7.576 5.544 0.940 1.00 0.00 C ATOM 626 O ILE A 39 -8.086 5.410 2.051 1.00 0.00 O ATOM 627 CB ILE A 39 -6.885 3.755 -0.657 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.340 2.826 -1.784 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.398 2.948 0.537 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.198 2.136 -2.498 1.00 0.00 C ATOM 0 H ILE A 39 -7.949 5.386 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.892 4.091 0.062 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.057 4.362 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.010 2.071 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.915 3.402 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.586 2.291 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.039 3.625 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.219 2.349 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.595 1.494 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.540 2.884 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.635 1.532 -1.786 1.00 0.00 H new ATOM 642 N ALA A 40 -6.610 6.422 0.688 1.00 0.00 N ATOM 643 CA ALA A 40 -6.086 7.300 1.727 1.00 0.00 C ATOM 644 C ALA A 40 -7.211 8.052 2.430 1.00 0.00 C ATOM 645 O ALA A 40 -7.371 7.952 3.647 1.00 0.00 O ATOM 646 CB ALA A 40 -5.084 8.279 1.135 1.00 0.00 C ATOM 0 H ALA A 40 -6.175 6.544 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.579 6.682 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.701 8.928 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.258 7.727 0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.574 8.884 0.372 1.00 0.00 H new ATOM 652 N ASP A 41 -7.987 8.803 1.657 1.00 0.00 N ATOM 653 CA ASP A 41 -9.098 9.572 2.206 1.00 0.00 C ATOM 654 C ASP A 41 -9.763 8.821 3.355 1.00 0.00 C ATOM 655 O ASP A 41 -9.894 9.348 4.460 1.00 0.00 O ATOM 656 CB ASP A 41 -10.126 9.873 1.114 1.00 0.00 C ATOM 657 CG ASP A 41 -10.950 11.109 1.420 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.381 12.086 1.949 1.00 0.00 O ATOM 659 OD2 ASP A 41 -12.165 11.098 1.130 1.00 0.00 O ATOM 0 H ASP A 41 -7.867 8.896 0.648 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.702 10.512 2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.612 10.009 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.790 9.017 0.998 1.00 0.00 H new ATOM 664 N GLU A 42 -10.183 7.589 3.086 1.00 0.00 N ATOM 665 CA GLU A 42 -10.837 6.767 4.098 1.00 0.00 C ATOM 666 C GLU A 42 -9.946 6.607 5.327 1.00 0.00 C ATOM 667 O GLU A 42 -10.388 6.812 6.458 1.00 0.00 O ATOM 668 CB GLU A 42 -11.184 5.392 3.523 1.00 0.00 C ATOM 669 CG GLU A 42 -12.458 5.382 2.695 1.00 0.00 C ATOM 670 CD GLU A 42 -13.693 5.685 3.521 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.942 4.958 4.505 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.410 6.650 3.182 1.00 0.00 O ATOM 0 H GLU A 42 -10.082 7.138 2.177 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.756 7.269 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.356 5.047 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.288 4.681 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.372 6.116 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.572 4.406 2.222 1.00 0.00 H new ATOM 679 N LEU A 43 -8.691 6.238 5.097 1.00 0.00 N ATOM 680 CA LEU A 43 -7.737 6.049 6.184 1.00 0.00 C ATOM 681 C LEU A 43 -7.616 7.315 7.028 1.00 0.00 C ATOM 682 O LEU A 43 -7.601 7.255 8.256 1.00 0.00 O ATOM 683 CB LEU A 43 -6.367 5.661 5.626 1.00 0.00 C ATOM 684 CG LEU A 43 -6.152 4.173 5.348 1.00 0.00 C ATOM 685 CD1 LEU A 43 -5.089 3.978 4.278 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.766 3.443 6.626 1.00 0.00 C ATOM 0 H LEU A 43 -8.310 6.064 4.167 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.104 5.244 6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.206 6.210 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.603 5.993 6.329 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.088 3.752 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.950 2.913 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.406 4.467 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.149 4.414 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.617 2.385 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.843 3.866 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.561 3.554 7.363 1.00 0.00 H new ATOM 698 N GLY A 44 -7.531 8.460 6.358 1.00 0.00 N ATOM 699 CA GLY A 44 -7.415 9.724 7.062 1.00 0.00 C ATOM 700 C GLY A 44 -6.002 9.991 7.544 1.00 0.00 C ATOM 701 O GLY A 44 -5.506 11.112 7.441 1.00 0.00 O ATOM 0 H GLY A 44 -7.540 8.535 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.730 10.533 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.093 9.725 7.915 1.00 0.00 H new ATOM 705 N ASN A 45 -5.354 8.958 8.073 1.00 0.00 N ATOM 706 CA ASN A 45 -3.991 9.088 8.575 1.00 0.00 C ATOM 707 C ASN A 45 -2.985 9.076 7.427 1.00 0.00 C ATOM 708 O ASN A 45 -2.084 9.913 7.370 1.00 0.00 O ATOM 709 CB ASN A 45 -3.676 7.955 9.554 1.00 0.00 C ATOM 710 CG ASN A 45 -2.229 7.969 10.008 1.00 0.00 C ATOM 711 OD1 ASN A 45 -1.441 8.811 9.580 1.00 0.00 O ATOM 712 ND2 ASN A 45 -1.874 7.032 10.880 1.00 0.00 N ATOM 0 H ASN A 45 -5.750 8.023 8.165 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.912 10.043 9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.328 8.038 10.424 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.896 6.998 9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.914 6.991 11.222 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.562 6.354 11.208 1.00 0.00 H new ATOM 719 N ARG A 46 -3.147 8.123 6.515 1.00 0.00 N ATOM 720 CA ARG A 46 -2.254 8.003 5.370 1.00 0.00 C ATOM 721 C ARG A 46 -2.707 8.909 4.229 1.00 0.00 C ATOM 722 O ARG A 46 -3.806 9.463 4.260 1.00 0.00 O ATOM 723 CB ARG A 46 -2.198 6.551 4.890 1.00 0.00 C ATOM 724 CG ARG A 46 -1.249 5.679 5.697 1.00 0.00 C ATOM 725 CD ARG A 46 0.203 6.037 5.425 1.00 0.00 C ATOM 726 NE ARG A 46 1.075 5.668 6.537 1.00 0.00 N ATOM 727 CZ ARG A 46 0.986 6.203 7.750 1.00 0.00 C ATOM 728 NH1 ARG A 46 0.069 7.126 8.005 1.00 0.00 N ATOM 729 NH2 ARG A 46 1.816 5.815 8.710 1.00 0.00 N ATOM 0 H ARG A 46 -3.888 7.423 6.547 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.258 8.314 5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.199 6.123 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.892 6.535 3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.461 5.796 6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.419 4.631 5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.537 5.532 4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.284 7.108 5.241 1.00 0.00 H new ATOM 0 HE ARG A 46 1.792 4.961 6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.570 7.427 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.003 7.535 8.937 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.523 5.106 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.747 6.226 9.641 1.00 0.00 H new ATOM 743 N THR A 47 -1.852 9.057 3.222 1.00 0.00 N ATOM 744 CA THR A 47 -2.163 9.897 2.072 1.00 0.00 C ATOM 745 C THR A 47 -2.012 9.122 0.768 1.00 0.00 C ATOM 746 O THR A 47 -1.301 8.120 0.709 1.00 0.00 O ATOM 747 CB THR A 47 -1.257 11.142 2.024 1.00 0.00 C ATOM 748 OG1 THR A 47 0.111 10.746 1.873 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.413 11.974 3.288 1.00 0.00 C ATOM 0 H THR A 47 -0.938 8.606 3.180 1.00 0.00 H new ATOM 0 HA THR A 47 -3.199 10.215 2.184 1.00 0.00 H new ATOM 0 HB THR A 47 -1.556 11.749 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.602 10.946 2.697 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.764 12.848 3.231 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.449 12.298 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.138 11.373 4.155 1.00 0.00 H new ATOM 757 N ALA A 48 -2.685 9.594 -0.276 1.00 0.00 N ATOM 758 CA ALA A 48 -2.623 8.946 -1.581 1.00 0.00 C ATOM 759 C ALA A 48 -1.223 8.413 -1.863 1.00 0.00 C ATOM 760 O ALA A 48 -1.044 7.228 -2.145 1.00 0.00 O ATOM 761 CB ALA A 48 -3.050 9.916 -2.672 1.00 0.00 C ATOM 0 H ALA A 48 -3.279 10.422 -0.244 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.310 8.100 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.999 9.419 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.072 10.245 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.385 10.780 -2.672 1.00 0.00 H new ATOM 767 N LYS A 49 -0.232 9.295 -1.786 1.00 0.00 N ATOM 768 CA LYS A 49 1.153 8.913 -2.032 1.00 0.00 C ATOM 769 C LYS A 49 1.577 7.776 -1.108 1.00 0.00 C ATOM 770 O LYS A 49 1.833 6.660 -1.559 1.00 0.00 O ATOM 771 CB LYS A 49 2.078 10.117 -1.836 1.00 0.00 C ATOM 772 CG LYS A 49 2.298 10.927 -3.101 1.00 0.00 C ATOM 773 CD LYS A 49 3.495 10.420 -3.887 1.00 0.00 C ATOM 774 CE LYS A 49 3.516 10.987 -5.299 1.00 0.00 C ATOM 775 NZ LYS A 49 3.946 12.413 -5.317 1.00 0.00 N ATOM 0 H LYS A 49 -0.363 10.280 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 49 1.231 8.567 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.658 10.766 -1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.042 9.768 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.405 10.879 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.449 11.975 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.414 10.695 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.468 9.331 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.191 10.396 -5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.523 10.901 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.947 12.763 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.287 12.981 -4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.904 12.492 -4.920 1.00 0.00 H new ATOM 789 N GLN A 50 1.649 8.068 0.187 1.00 0.00 N ATOM 790 CA GLN A 50 2.041 7.070 1.174 1.00 0.00 C ATOM 791 C GLN A 50 1.437 5.709 0.842 1.00 0.00 C ATOM 792 O GLN A 50 2.090 4.676 0.990 1.00 0.00 O ATOM 793 CB GLN A 50 1.605 7.506 2.574 1.00 0.00 C ATOM 794 CG GLN A 50 2.223 8.821 3.021 1.00 0.00 C ATOM 795 CD GLN A 50 3.684 8.680 3.401 1.00 0.00 C ATOM 796 OE1 GLN A 50 4.252 7.590 3.335 1.00 0.00 O ATOM 797 NE2 GLN A 50 4.301 9.785 3.803 1.00 0.00 N ATOM 0 H GLN A 50 1.441 8.987 0.576 1.00 0.00 H new ATOM 0 HA GLN A 50 3.127 6.981 1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.519 7.599 2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.872 6.727 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.129 9.553 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.666 9.209 3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.792 10.668 3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.284 9.751 4.072 1.00 0.00 H new ATOM 806 N VAL A 51 0.186 5.716 0.393 1.00 0.00 N ATOM 807 CA VAL A 51 -0.506 4.483 0.039 1.00 0.00 C ATOM 808 C VAL A 51 0.096 3.855 -1.212 1.00 0.00 C ATOM 809 O VAL A 51 0.278 2.640 -1.283 1.00 0.00 O ATOM 810 CB VAL A 51 -2.008 4.730 -0.196 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.706 3.439 -0.598 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.650 5.328 1.047 1.00 0.00 C ATOM 0 H VAL A 51 -0.369 6.562 0.266 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.385 3.800 0.879 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.117 5.443 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.766 3.634 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.263 3.057 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.590 2.700 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.711 5.496 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.531 4.641 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.168 6.276 1.285 1.00 0.00 H new ATOM 822 N ALA A 52 0.403 4.691 -2.199 1.00 0.00 N ATOM 823 CA ALA A 52 0.988 4.218 -3.447 1.00 0.00 C ATOM 824 C ALA A 52 2.285 3.457 -3.193 1.00 0.00 C ATOM 825 O ALA A 52 2.465 2.340 -3.677 1.00 0.00 O ATOM 826 CB ALA A 52 1.235 5.386 -4.390 1.00 0.00 C ATOM 0 H ALA A 52 0.256 5.700 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 52 0.281 3.532 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.672 5.018 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.290 5.885 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.920 6.093 -3.922 1.00 0.00 H new ATOM 832 N SER A 53 3.185 4.070 -2.431 1.00 0.00 N ATOM 833 CA SER A 53 4.468 3.452 -2.116 1.00 0.00 C ATOM 834 C SER A 53 4.268 2.105 -1.429 1.00 0.00 C ATOM 835 O SER A 53 4.892 1.111 -1.797 1.00 0.00 O ATOM 836 CB SER A 53 5.297 4.376 -1.222 1.00 0.00 C ATOM 837 OG SER A 53 5.857 5.442 -1.969 1.00 0.00 O ATOM 0 H SER A 53 3.050 4.994 -2.020 1.00 0.00 H new ATOM 0 HA SER A 53 5.003 3.287 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.669 4.776 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.093 3.806 -0.743 1.00 0.00 H new ATOM 0 HG SER A 53 6.380 6.019 -1.374 1.00 0.00 H new ATOM 843 N GLN A 54 3.393 2.082 -0.429 1.00 0.00 N ATOM 844 CA GLN A 54 3.110 0.858 0.311 1.00 0.00 C ATOM 845 C GLN A 54 2.665 -0.257 -0.631 1.00 0.00 C ATOM 846 O GLN A 54 3.052 -1.414 -0.466 1.00 0.00 O ATOM 847 CB GLN A 54 2.032 1.111 1.366 1.00 0.00 C ATOM 848 CG GLN A 54 2.090 0.146 2.539 1.00 0.00 C ATOM 849 CD GLN A 54 3.224 0.458 3.495 1.00 0.00 C ATOM 850 OE1 GLN A 54 4.056 1.326 3.229 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.264 -0.251 4.618 1.00 0.00 N ATOM 0 H GLN A 54 2.868 2.897 -0.113 1.00 0.00 H new ATOM 0 HA GLN A 54 4.028 0.544 0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.133 2.130 1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.051 1.040 0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.144 0.180 3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.206 -0.871 2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.554 -0.961 4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.005 -0.085 5.300 1.00 0.00 H new ATOM 860 N VAL A 55 1.850 0.100 -1.618 1.00 0.00 N ATOM 861 CA VAL A 55 1.353 -0.870 -2.587 1.00 0.00 C ATOM 862 C VAL A 55 2.502 -1.595 -3.278 1.00 0.00 C ATOM 863 O VAL A 55 2.478 -2.817 -3.425 1.00 0.00 O ATOM 864 CB VAL A 55 0.471 -0.195 -3.654 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.001 -1.214 -4.680 1.00 0.00 C ATOM 866 CG2 VAL A 55 -0.713 0.504 -3.002 1.00 0.00 C ATOM 0 H VAL A 55 1.520 1.053 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 55 0.753 -1.592 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 55 1.068 0.556 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.623 -0.718 -5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.863 -1.665 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.582 -1.990 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.325 0.976 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.312 -0.226 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.351 1.264 -2.310 1.00 0.00 H new ATOM 876 N GLN A 56 3.507 -0.834 -3.699 1.00 0.00 N ATOM 877 CA GLN A 56 4.666 -1.406 -4.375 1.00 0.00 C ATOM 878 C GLN A 56 5.203 -2.611 -3.610 1.00 0.00 C ATOM 879 O GLN A 56 5.408 -3.682 -4.182 1.00 0.00 O ATOM 880 CB GLN A 56 5.764 -0.352 -4.527 1.00 0.00 C ATOM 881 CG GLN A 56 5.625 0.495 -5.782 1.00 0.00 C ATOM 882 CD GLN A 56 4.253 1.125 -5.912 1.00 0.00 C ATOM 883 OE1 GLN A 56 4.056 2.289 -5.564 1.00 0.00 O ATOM 884 NE2 GLN A 56 3.294 0.356 -6.415 1.00 0.00 N ATOM 0 H GLN A 56 3.542 0.179 -3.584 1.00 0.00 H new ATOM 0 HA GLN A 56 4.351 -1.739 -5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.752 0.301 -3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.734 -0.849 -4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.381 1.280 -5.772 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.820 -0.125 -6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.502 -0.604 -6.691 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.350 0.725 -6.526 1.00 0.00 H new ATOM 893 N LYS A 57 5.429 -2.429 -2.313 1.00 0.00 N ATOM 894 CA LYS A 57 5.942 -3.501 -1.468 1.00 0.00 C ATOM 895 C LYS A 57 4.809 -4.398 -0.980 1.00 0.00 C ATOM 896 O LYS A 57 4.929 -5.061 0.051 1.00 0.00 O ATOM 897 CB LYS A 57 6.697 -2.918 -0.271 1.00 0.00 C ATOM 898 CG LYS A 57 7.946 -2.145 -0.658 1.00 0.00 C ATOM 899 CD LYS A 57 7.639 -0.677 -0.903 1.00 0.00 C ATOM 900 CE LYS A 57 8.906 0.120 -1.171 1.00 0.00 C ATOM 901 NZ LYS A 57 9.616 0.472 0.090 1.00 0.00 N ATOM 0 H LYS A 57 5.265 -1.549 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 57 6.628 -4.103 -2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.029 -2.259 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.976 -3.729 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.690 -2.235 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.381 -2.582 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.962 -0.583 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.124 -0.262 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.570 -0.459 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.654 1.032 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.474 1.015 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.991 1.046 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.879 -0.398 0.595 1.00 0.00 H new ATOM 915 N TYR A 58 3.711 -4.416 -1.727 1.00 0.00 N ATOM 916 CA TYR A 58 2.556 -5.231 -1.370 1.00 0.00 C ATOM 917 C TYR A 58 2.170 -6.160 -2.516 1.00 0.00 C ATOM 918 O TYR A 58 1.730 -7.289 -2.295 1.00 0.00 O ATOM 919 CB TYR A 58 1.370 -4.339 -1.000 1.00 0.00 C ATOM 920 CG TYR A 58 1.311 -3.989 0.470 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.438 -3.530 1.140 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.129 -4.118 1.189 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.390 -3.209 2.483 1.00 0.00 C ATOM 924 CE2 TYR A 58 0.071 -3.799 2.531 1.00 0.00 C ATOM 925 CZ TYR A 58 1.204 -3.345 3.174 1.00 0.00 C ATOM 926 OH TYR A 58 1.150 -3.027 4.512 1.00 0.00 O ATOM 0 H TYR A 58 3.596 -3.875 -2.584 1.00 0.00 H new ATOM 0 HA TYR A 58 2.826 -5.840 -0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.423 -3.419 -1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.445 -4.842 -1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.368 -3.422 0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.760 -4.474 0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.276 -2.854 2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.856 -3.904 3.074 1.00 0.00 H new ATOM 0 HH TYR A 58 0.242 -3.178 4.848 1.00 0.00 H new ATOM 936 N PHE A 59 2.338 -5.677 -3.743 1.00 0.00 N ATOM 937 CA PHE A 59 2.007 -6.463 -4.926 1.00 0.00 C ATOM 938 C PHE A 59 3.270 -6.885 -5.670 1.00 0.00 C ATOM 939 O PHE A 59 3.449 -8.059 -5.996 1.00 0.00 O ATOM 940 CB PHE A 59 1.096 -5.661 -5.858 1.00 0.00 C ATOM 941 CG PHE A 59 -0.224 -5.298 -5.241 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.277 -4.532 -4.087 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.412 -5.722 -5.814 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.490 -4.198 -3.516 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.629 -5.390 -5.248 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.668 -4.626 -4.098 1.00 0.00 C ATOM 0 H PHE A 59 2.701 -4.745 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 59 1.482 -7.361 -4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.610 -4.748 -6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.917 -6.240 -6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.640 -4.192 -3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.387 -6.319 -6.714 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.517 -3.603 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.548 -5.728 -5.704 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.617 -4.364 -3.655 1.00 0.00 H new ATOM 956 N ILE A 60 4.143 -5.919 -5.936 1.00 0.00 N ATOM 957 CA ILE A 60 5.390 -6.190 -6.641 1.00 0.00 C ATOM 958 C ILE A 60 6.275 -7.144 -5.846 1.00 0.00 C ATOM 959 O ILE A 60 6.919 -8.028 -6.411 1.00 0.00 O ATOM 960 CB ILE A 60 6.173 -4.893 -6.918 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.305 -3.905 -7.700 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.453 -5.200 -7.680 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.915 -2.526 -7.818 1.00 0.00 C ATOM 0 H ILE A 60 4.010 -4.942 -5.674 1.00 0.00 H new ATOM 0 HA ILE A 60 5.121 -6.653 -7.590 1.00 0.00 H new ATOM 0 HB ILE A 60 6.441 -4.437 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.128 -4.302 -8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.333 -3.823 -7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.995 -4.273 -7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.076 -5.872 -7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.206 -5.675 -8.629 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.245 -1.879 -8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.067 -2.109 -6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.874 -2.595 -8.332 1.00 0.00 H new