USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.043) USER MOD Single : A 16 THR OG1 : rot -80:sc= -0.684 USER MOD Single : A 20 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.32) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -41:sc= 0.908 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 100:sc= -0.407 USER MOD Single : A 57 MET CE :methyl -160:sc= -0.123 (180deg=-0.615) USER MOD Single : A 67 GLN : amide:sc= -0.0658 X(o=-0.066,f=-0.11) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.49 F(o=-4!,f=-1.5) USER MOD Single : A 79 GLN : amide:sc= 0.786 K(o=0.79,f=-4.6!) USER MOD Single : A 80 SER OG : rot 90:sc= 0.45 USER MOD Single : A 88 ASN : amide:sc=-0.00562 K(o=-0.0056,f=-0.7) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.6! USER MOD Single : A 102 LYS NZ :NH3+ 177:sc= 1.45 (180deg=1.28) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HE2:sc= 0.906 K(o=0.91,f=-4.7!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -143:sc= -0.846 (180deg=-2.99!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 12.885 1.828 7.761 1.00 0.00 N ATOM 126 CA LEU A 10 11.933 0.786 7.396 1.00 0.00 C ATOM 127 C LEU A 10 12.142 0.329 5.955 1.00 0.00 C ATOM 128 O LEU A 10 12.251 -0.863 5.691 1.00 0.00 O ATOM 129 CB LEU A 10 10.486 1.271 7.572 1.00 0.00 C ATOM 130 CG LEU A 10 10.043 1.597 9.007 1.00 0.00 C ATOM 131 CD1 LEU A 10 10.424 0.476 9.962 1.00 0.00 C ATOM 132 CD2 LEU A 10 10.618 2.929 9.475 1.00 0.00 C ATOM 0 HA LEU A 10 12.108 -0.057 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.348 2.163 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.819 0.506 7.174 1.00 0.00 H new ATOM 0 HG LEU A 10 8.957 1.686 9.006 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.099 0.731 10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.940 -0.449 9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.506 0.341 9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.286 3.131 10.493 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.707 2.884 9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.273 3.726 8.816 1.00 0.00 H new ATOM 144 N TRP A 11 12.244 1.294 5.040 1.00 0.00 N ATOM 145 CA TRP A 11 12.337 1.011 3.607 1.00 0.00 C ATOM 146 C TRP A 11 13.570 0.151 3.300 1.00 0.00 C ATOM 147 O TRP A 11 13.545 -0.690 2.407 1.00 0.00 O ATOM 148 CB TRP A 11 12.379 2.339 2.834 1.00 0.00 C ATOM 149 CG TRP A 11 12.198 2.245 1.334 1.00 0.00 C ATOM 150 CD1 TRP A 11 12.577 3.195 0.428 1.00 0.00 C ATOM 151 CD2 TRP A 11 11.600 1.180 0.564 1.00 0.00 C ATOM 152 NE1 TRP A 11 12.252 2.798 -0.845 1.00 0.00 N ATOM 153 CE2 TRP A 11 11.659 1.566 -0.792 1.00 0.00 C ATOM 154 CE3 TRP A 11 11.024 -0.057 0.880 1.00 0.00 C ATOM 155 CZ2 TRP A 11 11.167 0.763 -1.820 1.00 0.00 C ATOM 156 CZ3 TRP A 11 10.539 -0.852 -0.142 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.616 -0.441 -1.476 1.00 0.00 C ATOM 0 H TRP A 11 12.264 2.288 5.269 1.00 0.00 H new ATOM 0 HA TRP A 11 11.461 0.444 3.292 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.603 2.992 3.233 1.00 0.00 H new ATOM 0 HB3 TRP A 11 13.336 2.822 3.034 1.00 0.00 H new ATOM 0 HD1 TRP A 11 13.063 4.126 0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 11 12.425 3.335 -1.695 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.960 -0.385 1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.219 1.080 -2.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.093 -1.807 0.094 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.232 -1.088 -2.251 1.00 0.00 H new ATOM 168 N GLN A 12 14.632 0.341 4.076 1.00 0.00 N ATOM 169 CA GLN A 12 15.852 -0.437 3.915 1.00 0.00 C ATOM 170 C GLN A 12 15.586 -1.919 4.175 1.00 0.00 C ATOM 171 O GLN A 12 15.961 -2.785 3.383 1.00 0.00 O ATOM 172 CB GLN A 12 16.920 0.074 4.880 1.00 0.00 C ATOM 173 CG GLN A 12 17.370 1.500 4.603 1.00 0.00 C ATOM 174 CD GLN A 12 18.116 1.640 3.288 1.00 0.00 C ATOM 175 OE1 GLN A 12 19.338 1.495 3.233 1.00 0.00 O ATOM 176 NE2 GLN A 12 17.388 1.926 2.217 1.00 0.00 N ATOM 0 H GLN A 12 14.671 1.031 4.826 1.00 0.00 H new ATOM 0 HA GLN A 12 16.204 -0.324 2.890 1.00 0.00 H new ATOM 0 HB2 GLN A 12 16.533 0.017 5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.786 -0.586 4.830 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.499 2.155 4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.012 1.837 5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.378 2.039 2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.838 2.033 1.308 1.00 0.00 H new ATOM 185 N ARG A 13 14.937 -2.202 5.298 1.00 0.00 N ATOM 186 CA ARG A 13 14.621 -3.572 5.677 1.00 0.00 C ATOM 187 C ARG A 13 13.469 -4.138 4.858 1.00 0.00 C ATOM 188 O ARG A 13 13.394 -5.349 4.647 1.00 0.00 O ATOM 189 CB ARG A 13 14.350 -3.668 7.178 1.00 0.00 C ATOM 190 CG ARG A 13 15.628 -3.563 7.989 1.00 0.00 C ATOM 191 CD ARG A 13 16.634 -4.605 7.523 1.00 0.00 C ATOM 192 NE ARG A 13 17.999 -4.310 7.956 1.00 0.00 N ATOM 193 CZ ARG A 13 19.085 -4.779 7.342 1.00 0.00 C ATOM 194 NH1 ARG A 13 18.961 -5.495 6.225 1.00 0.00 N ATOM 195 NH2 ARG A 13 20.291 -4.504 7.824 1.00 0.00 N ATOM 0 H ARG A 13 14.619 -1.498 5.964 1.00 0.00 H new ATOM 0 HA ARG A 13 15.492 -4.187 5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.665 -2.874 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.856 -4.614 7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.053 -2.565 7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.409 -3.707 9.047 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.340 -5.583 7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.608 -4.667 6.435 1.00 0.00 H new ATOM 0 HE ARG A 13 18.127 -3.713 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.035 -5.684 5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.792 -5.854 5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.387 -3.934 8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.122 -4.863 7.354 1.00 0.00 H new ATOM 209 N LEU A 14 12.576 -3.272 4.395 1.00 0.00 N ATOM 210 CA LEU A 14 11.497 -3.701 3.512 1.00 0.00 C ATOM 211 C LEU A 14 12.077 -4.208 2.196 1.00 0.00 C ATOM 212 O LEU A 14 11.594 -5.184 1.629 1.00 0.00 O ATOM 213 CB LEU A 14 10.511 -2.558 3.250 1.00 0.00 C ATOM 214 CG LEU A 14 9.826 -1.982 4.492 1.00 0.00 C ATOM 215 CD1 LEU A 14 8.824 -0.906 4.102 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.143 -3.079 5.292 1.00 0.00 C ATOM 0 H LEU A 14 12.576 -2.276 4.614 1.00 0.00 H new ATOM 0 HA LEU A 14 10.953 -4.509 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.042 -1.752 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.742 -2.914 2.565 1.00 0.00 H new ATOM 0 HG LEU A 14 10.593 -1.529 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.348 -0.510 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.340 -0.101 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.065 -1.336 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.664 -2.645 6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.391 -3.567 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.884 -3.813 5.609 1.00 0.00 H new ATOM 228 N LEU A 15 13.133 -3.543 1.733 1.00 0.00 N ATOM 229 CA LEU A 15 13.869 -3.983 0.554 1.00 0.00 C ATOM 230 C LEU A 15 14.567 -5.313 0.817 1.00 0.00 C ATOM 231 O LEU A 15 14.819 -6.087 -0.106 1.00 0.00 O ATOM 232 CB LEU A 15 14.907 -2.933 0.151 1.00 0.00 C ATOM 233 CG LEU A 15 14.347 -1.656 -0.472 1.00 0.00 C ATOM 234 CD1 LEU A 15 15.442 -0.612 -0.615 1.00 0.00 C ATOM 235 CD2 LEU A 15 13.729 -1.964 -1.825 1.00 0.00 C ATOM 0 H LEU A 15 13.499 -2.692 2.161 1.00 0.00 H new ATOM 0 HA LEU A 15 13.155 -4.114 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.485 -2.662 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.601 -3.387 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 15 13.574 -1.256 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.027 0.292 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.852 -0.377 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.234 -1.001 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.333 -1.047 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.489 -2.381 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.921 -2.685 -1.700 1.00 0.00 H new ATOM 247 N THR A 16 14.881 -5.565 2.082 1.00 0.00 N ATOM 248 CA THR A 16 15.550 -6.794 2.473 1.00 0.00 C ATOM 249 C THR A 16 14.616 -7.987 2.294 1.00 0.00 C ATOM 250 O THR A 16 14.975 -8.980 1.660 1.00 0.00 O ATOM 251 CB THR A 16 16.032 -6.724 3.938 1.00 0.00 C ATOM 252 OG1 THR A 16 16.781 -5.518 4.146 1.00 0.00 O ATOM 253 CG2 THR A 16 16.898 -7.925 4.287 1.00 0.00 C ATOM 0 H THR A 16 14.681 -4.930 2.855 1.00 0.00 H new ATOM 0 HA THR A 16 16.421 -6.919 1.829 1.00 0.00 H new ATOM 0 HB THR A 16 15.155 -6.730 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.694 -5.638 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 16 17.223 -7.850 5.325 1.00 0.00 H new ATOM 0 HG22 THR A 16 16.322 -8.840 4.153 1.00 0.00 H new ATOM 0 HG23 THR A 16 17.770 -7.947 3.634 1.00 0.00 H new ATOM 261 N ARG A 17 13.406 -7.873 2.832 1.00 0.00 N ATOM 262 CA ARG A 17 12.425 -8.940 2.729 1.00 0.00 C ATOM 263 C ARG A 17 11.019 -8.409 2.991 1.00 0.00 C ATOM 264 O ARG A 17 10.791 -7.684 3.960 1.00 0.00 O ATOM 265 CB ARG A 17 12.743 -10.056 3.733 1.00 0.00 C ATOM 266 CG ARG A 17 11.854 -11.280 3.578 1.00 0.00 C ATOM 267 CD ARG A 17 12.121 -12.000 2.264 1.00 0.00 C ATOM 268 NE ARG A 17 13.446 -12.620 2.248 1.00 0.00 N ATOM 269 CZ ARG A 17 14.338 -12.467 1.270 1.00 0.00 C ATOM 270 NH1 ARG A 17 14.063 -11.695 0.224 1.00 0.00 N ATOM 271 NH2 ARG A 17 15.512 -13.079 1.348 1.00 0.00 N ATOM 0 H ARG A 17 13.084 -7.051 3.343 1.00 0.00 H new ATOM 0 HA ARG A 17 12.469 -9.341 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.784 -10.355 3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.637 -9.665 4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.025 -11.963 4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.807 -10.979 3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.360 -12.764 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.040 -11.293 1.438 1.00 0.00 H new ATOM 0 HE ARG A 17 13.705 -13.209 3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.165 -11.215 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.750 -11.582 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.729 -13.664 2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.197 -12.964 0.601 1.00 0.00 H new ATOM 285 N GLY A 18 10.085 -8.758 2.116 1.00 0.00 N ATOM 286 CA GLY A 18 8.695 -8.425 2.350 1.00 0.00 C ATOM 287 C GLY A 18 8.109 -7.541 1.272 1.00 0.00 C ATOM 288 O GLY A 18 7.228 -7.966 0.525 1.00 0.00 O ATOM 0 H GLY A 18 10.266 -9.265 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.113 -9.344 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.605 -7.922 3.313 1.00 0.00 H new ATOM 292 N TRP A 19 8.604 -6.317 1.185 1.00 0.00 N ATOM 293 CA TRP A 19 8.050 -5.339 0.263 1.00 0.00 C ATOM 294 C TRP A 19 8.841 -5.311 -1.035 1.00 0.00 C ATOM 295 O TRP A 19 10.054 -5.097 -1.036 1.00 0.00 O ATOM 296 CB TRP A 19 8.036 -3.946 0.895 1.00 0.00 C ATOM 297 CG TRP A 19 7.060 -3.793 2.027 1.00 0.00 C ATOM 298 CD1 TRP A 19 6.932 -4.597 3.125 1.00 0.00 C ATOM 299 CD2 TRP A 19 6.086 -2.754 2.177 1.00 0.00 C ATOM 300 NE1 TRP A 19 5.937 -4.123 3.944 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.401 -2.993 3.384 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.727 -1.643 1.408 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.380 -2.165 3.836 1.00 0.00 C ATOM 304 CZ3 TRP A 19 4.713 -0.821 1.859 1.00 0.00 C ATOM 305 CH2 TRP A 19 4.049 -1.085 3.064 1.00 0.00 C ATOM 0 H TRP A 19 9.388 -5.977 1.742 1.00 0.00 H new ATOM 0 HA TRP A 19 7.024 -5.634 0.041 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.037 -3.715 1.259 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.800 -3.212 0.125 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.527 -5.477 3.320 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.644 -4.544 4.826 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.234 -1.431 0.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.866 -2.367 4.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.427 0.040 1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.260 -0.423 3.390 1.00 0.00 H new ATOM 316 N GLN A 20 8.144 -5.532 -2.134 1.00 0.00 N ATOM 317 CA GLN A 20 8.756 -5.524 -3.449 1.00 0.00 C ATOM 318 C GLN A 20 8.649 -4.141 -4.079 1.00 0.00 C ATOM 319 O GLN A 20 7.551 -3.602 -4.225 1.00 0.00 O ATOM 320 CB GLN A 20 8.082 -6.563 -4.354 1.00 0.00 C ATOM 321 CG GLN A 20 8.617 -7.983 -4.204 1.00 0.00 C ATOM 322 CD GLN A 20 8.617 -8.478 -2.768 1.00 0.00 C ATOM 323 OE1 GLN A 20 9.612 -8.343 -2.054 1.00 0.00 O ATOM 324 NE2 GLN A 20 7.504 -9.045 -2.331 1.00 0.00 N ATOM 0 H GLN A 20 7.142 -5.721 -2.140 1.00 0.00 H new ATOM 0 HA GLN A 20 9.810 -5.779 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.012 -6.568 -4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.201 -6.252 -5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.014 -8.657 -4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.634 -8.024 -4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.701 -9.138 -2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.449 -9.388 -1.372 1.00 0.00 H new ATOM 333 N PRO A 21 9.787 -3.538 -4.439 1.00 0.00 N ATOM 334 CA PRO A 21 9.804 -2.259 -5.144 1.00 0.00 C ATOM 335 C PRO A 21 9.359 -2.416 -6.595 1.00 0.00 C ATOM 336 O PRO A 21 10.108 -2.907 -7.445 1.00 0.00 O ATOM 337 CB PRO A 21 11.265 -1.817 -5.059 1.00 0.00 C ATOM 338 CG PRO A 21 12.042 -3.079 -4.897 1.00 0.00 C ATOM 339 CD PRO A 21 11.145 -4.044 -4.168 1.00 0.00 C ATOM 0 HA PRO A 21 9.117 -1.533 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.568 -1.280 -5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.425 -1.144 -4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.336 -3.480 -5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.958 -2.901 -4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.272 -5.063 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.360 -4.060 -3.099 1.00 0.00 H new ATOM 347 N VAL A 22 8.124 -2.026 -6.867 1.00 0.00 N ATOM 348 CA VAL A 22 7.559 -2.175 -8.198 1.00 0.00 C ATOM 349 C VAL A 22 7.882 -0.976 -9.078 1.00 0.00 C ATOM 350 O VAL A 22 8.404 0.035 -8.606 1.00 0.00 O ATOM 351 CB VAL A 22 6.033 -2.395 -8.165 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.705 -3.767 -7.591 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.342 -1.299 -7.368 1.00 0.00 C ATOM 0 H VAL A 22 7.494 -1.604 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 22 8.022 -3.065 -8.625 1.00 0.00 H new ATOM 0 HB VAL A 22 5.661 -2.351 -9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.624 -3.906 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.161 -4.539 -8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.095 -3.839 -6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.267 -1.478 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.718 -1.301 -6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.546 -0.332 -7.827 1.00 0.00 H new ATOM 363 N GLU A 23 7.543 -1.094 -10.354 1.00 0.00 N ATOM 364 CA GLU A 23 7.916 -0.097 -11.351 1.00 0.00 C ATOM 365 C GLU A 23 6.850 -0.025 -12.427 1.00 0.00 C ATOM 366 O GLU A 23 6.056 -0.951 -12.580 1.00 0.00 O ATOM 367 CB GLU A 23 9.260 -0.443 -12.008 1.00 0.00 C ATOM 368 CG GLU A 23 10.429 -0.534 -11.037 1.00 0.00 C ATOM 369 CD GLU A 23 11.751 -0.752 -11.735 1.00 0.00 C ATOM 370 OE1 GLU A 23 12.355 0.238 -12.194 1.00 0.00 O ATOM 371 OE2 GLU A 23 12.202 -1.912 -11.820 1.00 0.00 O ATOM 0 H GLU A 23 7.006 -1.877 -10.727 1.00 0.00 H new ATOM 0 HA GLU A 23 8.009 0.864 -10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.161 -1.395 -12.529 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.487 0.311 -12.762 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.480 0.383 -10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.253 -1.352 -10.338 1.00 0.00 H new ATOM 378 N ALA A 24 6.853 1.056 -13.190 1.00 0.00 N ATOM 379 CA ALA A 24 5.881 1.235 -14.259 1.00 0.00 C ATOM 380 C ALA A 24 6.244 0.383 -15.468 1.00 0.00 C ATOM 381 O ALA A 24 5.371 -0.027 -16.235 1.00 0.00 O ATOM 382 CB ALA A 24 5.788 2.702 -14.650 1.00 0.00 C ATOM 0 H ALA A 24 7.517 1.823 -13.090 1.00 0.00 H new ATOM 0 HA ALA A 24 4.907 0.910 -13.894 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.057 2.820 -15.450 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.478 3.290 -13.786 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.762 3.049 -14.994 1.00 0.00 H new ATOM 388 N SER A 25 7.533 0.100 -15.613 1.00 0.00 N ATOM 389 CA SER A 25 8.038 -0.672 -16.742 1.00 0.00 C ATOM 390 C SER A 25 7.546 -2.121 -16.701 1.00 0.00 C ATOM 391 O SER A 25 7.551 -2.818 -17.714 1.00 0.00 O ATOM 392 CB SER A 25 9.567 -0.633 -16.736 1.00 0.00 C ATOM 393 OG SER A 25 10.033 0.697 -16.566 1.00 0.00 O ATOM 0 H SER A 25 8.254 0.397 -14.956 1.00 0.00 H new ATOM 0 HA SER A 25 7.659 -0.225 -17.661 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.949 -1.263 -15.933 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.950 -1.041 -17.671 1.00 0.00 H new ATOM 0 HG SER A 25 11.013 0.702 -16.563 1.00 0.00 H new ATOM 399 N THR A 26 7.110 -2.571 -15.529 1.00 0.00 N ATOM 400 CA THR A 26 6.669 -3.948 -15.364 1.00 0.00 C ATOM 401 C THR A 26 5.433 -4.026 -14.463 1.00 0.00 C ATOM 402 O THR A 26 5.097 -5.088 -13.934 1.00 0.00 O ATOM 403 CB THR A 26 7.811 -4.813 -14.781 1.00 0.00 C ATOM 404 OG1 THR A 26 7.413 -6.184 -14.701 1.00 0.00 O ATOM 405 CG2 THR A 26 8.226 -4.316 -13.400 1.00 0.00 C ATOM 0 H THR A 26 7.053 -2.003 -14.683 1.00 0.00 H new ATOM 0 HA THR A 26 6.399 -4.335 -16.346 1.00 0.00 H new ATOM 0 HB THR A 26 8.666 -4.728 -15.452 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.485 -6.238 -14.392 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.030 -4.943 -13.014 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.572 -3.285 -13.473 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.372 -4.365 -12.724 1.00 0.00 H new ATOM 413 N VAL A 27 4.739 -2.903 -14.320 1.00 0.00 N ATOM 414 CA VAL A 27 3.597 -2.825 -13.416 1.00 0.00 C ATOM 415 C VAL A 27 2.448 -3.714 -13.895 1.00 0.00 C ATOM 416 O VAL A 27 1.858 -4.447 -13.103 1.00 0.00 O ATOM 417 CB VAL A 27 3.113 -1.362 -13.225 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.617 -0.748 -14.526 1.00 0.00 C ATOM 419 CG2 VAL A 27 2.033 -1.283 -12.160 1.00 0.00 C ATOM 0 H VAL A 27 4.946 -2.036 -14.817 1.00 0.00 H new ATOM 0 HA VAL A 27 3.932 -3.193 -12.446 1.00 0.00 H new ATOM 0 HB VAL A 27 3.976 -0.783 -12.896 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.289 0.275 -14.344 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.425 -0.745 -15.258 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.782 -1.334 -14.910 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.711 -0.248 -12.045 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.183 -1.897 -12.458 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.429 -1.647 -11.212 1.00 0.00 H new ATOM 429 N ASP A 28 2.169 -3.680 -15.196 1.00 0.00 N ATOM 430 CA ASP A 28 1.075 -4.459 -15.773 1.00 0.00 C ATOM 431 C ASP A 28 1.288 -5.945 -15.539 1.00 0.00 C ATOM 432 O ASP A 28 0.361 -6.668 -15.170 1.00 0.00 O ATOM 433 CB ASP A 28 0.961 -4.194 -17.277 1.00 0.00 C ATOM 434 CG ASP A 28 0.632 -2.751 -17.601 1.00 0.00 C ATOM 435 OD1 ASP A 28 1.576 -1.940 -17.731 1.00 0.00 O ATOM 436 OD2 ASP A 28 -0.561 -2.430 -17.757 1.00 0.00 O ATOM 0 H ASP A 28 2.687 -3.120 -15.873 1.00 0.00 H new ATOM 0 HA ASP A 28 0.152 -4.151 -15.282 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.900 -4.464 -17.760 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.190 -4.840 -17.697 1.00 0.00 H new ATOM 441 N ASP A 29 2.521 -6.392 -15.746 1.00 0.00 N ATOM 442 CA ASP A 29 2.872 -7.797 -15.580 1.00 0.00 C ATOM 443 C ASP A 29 2.688 -8.232 -14.133 1.00 0.00 C ATOM 444 O ASP A 29 2.067 -9.257 -13.864 1.00 0.00 O ATOM 445 CB ASP A 29 4.321 -8.039 -16.014 1.00 0.00 C ATOM 446 CG ASP A 29 4.732 -9.495 -15.901 1.00 0.00 C ATOM 447 OD1 ASP A 29 5.172 -9.914 -14.815 1.00 0.00 O ATOM 448 OD2 ASP A 29 4.630 -10.224 -16.912 1.00 0.00 O ATOM 0 H ASP A 29 3.299 -5.797 -16.031 1.00 0.00 H new ATOM 0 HA ASP A 29 2.207 -8.389 -16.210 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.447 -7.710 -17.045 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.986 -7.430 -15.402 1.00 0.00 H new ATOM 453 N TRP A 30 3.207 -7.427 -13.210 1.00 0.00 N ATOM 454 CA TRP A 30 3.148 -7.745 -11.785 1.00 0.00 C ATOM 455 C TRP A 30 1.702 -7.875 -11.317 1.00 0.00 C ATOM 456 O TRP A 30 1.342 -8.847 -10.650 1.00 0.00 O ATOM 457 CB TRP A 30 3.866 -6.665 -10.967 1.00 0.00 C ATOM 458 CG TRP A 30 4.063 -7.036 -9.524 1.00 0.00 C ATOM 459 CD1 TRP A 30 5.115 -7.728 -8.998 1.00 0.00 C ATOM 460 CD2 TRP A 30 3.193 -6.731 -8.422 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.954 -7.877 -7.642 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.782 -7.274 -7.264 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.976 -6.054 -8.304 1.00 0.00 C ATOM 464 CZ2 TRP A 30 3.193 -7.160 -6.006 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.393 -5.942 -7.055 1.00 0.00 C ATOM 466 CH2 TRP A 30 2.002 -6.492 -5.921 1.00 0.00 C ATOM 0 H TRP A 30 3.675 -6.546 -13.424 1.00 0.00 H new ATOM 0 HA TRP A 30 3.650 -8.700 -11.631 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.838 -6.465 -11.418 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.293 -5.739 -11.021 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.953 -8.104 -9.566 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.601 -8.358 -7.018 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.499 -5.626 -9.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.660 -7.584 -5.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.452 -5.422 -6.953 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.522 -6.387 -4.959 1.00 0.00 H new ATOM 477 N ILE A 31 0.880 -6.896 -11.682 1.00 0.00 N ATOM 478 CA ILE A 31 -0.531 -6.888 -11.308 1.00 0.00 C ATOM 479 C ILE A 31 -1.232 -8.141 -11.822 1.00 0.00 C ATOM 480 O ILE A 31 -1.983 -8.789 -11.095 1.00 0.00 O ATOM 481 CB ILE A 31 -1.247 -5.644 -11.872 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.592 -4.369 -11.339 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.731 -5.669 -11.524 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.024 -3.118 -12.070 1.00 0.00 C ATOM 0 H ILE A 31 1.169 -6.093 -12.240 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.579 -6.865 -10.219 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.154 -5.656 -12.958 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.831 -4.263 -10.281 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.491 -4.468 -11.413 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.215 -4.782 -11.932 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.190 -6.561 -11.950 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.851 -5.682 -10.441 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.520 -2.253 -11.639 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.761 -3.203 -13.124 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.103 -2.995 -11.974 1.00 0.00 H new ATOM 496 N LYS A 32 -0.966 -8.480 -13.074 1.00 0.00 N ATOM 497 CA LYS A 32 -1.583 -9.634 -13.708 1.00 0.00 C ATOM 498 C LYS A 32 -1.098 -10.931 -13.065 1.00 0.00 C ATOM 499 O LYS A 32 -1.862 -11.870 -12.855 1.00 0.00 O ATOM 500 CB LYS A 32 -1.238 -9.632 -15.197 1.00 0.00 C ATOM 501 CG LYS A 32 -2.021 -10.646 -16.000 1.00 0.00 C ATOM 502 CD LYS A 32 -3.493 -10.481 -15.758 1.00 0.00 C ATOM 503 CE LYS A 32 -4.327 -11.339 -16.691 1.00 0.00 C ATOM 504 NZ LYS A 32 -5.784 -11.100 -16.511 1.00 0.00 N ATOM 0 H LYS A 32 -0.321 -7.967 -13.675 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.663 -9.573 -13.577 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.423 -8.638 -15.603 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.173 -9.831 -15.315 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.805 -10.524 -17.061 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.712 -11.654 -15.725 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.721 -10.743 -14.725 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.766 -9.434 -15.889 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.049 -11.128 -17.724 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.107 -12.391 -16.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.319 -11.705 -17.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.055 -11.326 -15.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.999 -10.102 -16.708 1.00 0.00 H new ATOM 518 N ARG A 33 0.183 -10.948 -12.764 1.00 0.00 N ATOM 519 CA ARG A 33 0.858 -12.108 -12.190 1.00 0.00 C ATOM 520 C ARG A 33 0.311 -12.444 -10.801 1.00 0.00 C ATOM 521 O ARG A 33 0.066 -13.609 -10.478 1.00 0.00 O ATOM 522 CB ARG A 33 2.358 -11.814 -12.099 1.00 0.00 C ATOM 523 CG ARG A 33 3.260 -13.030 -12.238 1.00 0.00 C ATOM 524 CD ARG A 33 3.237 -13.907 -11.000 1.00 0.00 C ATOM 525 NE ARG A 33 4.200 -15.002 -11.093 1.00 0.00 N ATOM 526 CZ ARG A 33 4.558 -15.768 -10.065 1.00 0.00 C ATOM 527 NH1 ARG A 33 4.021 -15.580 -8.867 1.00 0.00 N ATOM 528 NH2 ARG A 33 5.460 -16.722 -10.236 1.00 0.00 N ATOM 0 H ARG A 33 0.799 -10.149 -12.911 1.00 0.00 H new ATOM 0 HA ARG A 33 0.679 -12.969 -12.834 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.620 -11.095 -12.875 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.562 -11.336 -11.141 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.946 -13.616 -13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.282 -12.702 -12.430 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.459 -13.301 -10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.236 -14.314 -10.862 1.00 0.00 H new ATOM 0 HE ARG A 33 4.624 -15.191 -12.001 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.328 -14.844 -8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.301 -16.171 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.879 -16.869 -11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.736 -17.310 -9.450 1.00 0.00 H new ATOM 542 N VAL A 34 0.137 -11.422 -9.978 1.00 0.00 N ATOM 543 CA VAL A 34 -0.358 -11.625 -8.623 1.00 0.00 C ATOM 544 C VAL A 34 -1.883 -11.719 -8.597 1.00 0.00 C ATOM 545 O VAL A 34 -2.450 -12.510 -7.837 1.00 0.00 O ATOM 546 CB VAL A 34 0.120 -10.516 -7.653 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.638 -10.493 -7.577 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.419 -9.147 -8.052 1.00 0.00 C ATOM 0 H VAL A 34 0.329 -10.450 -10.221 1.00 0.00 H new ATOM 0 HA VAL A 34 0.059 -12.572 -8.281 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.277 -10.749 -6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.956 -9.708 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.999 -11.457 -7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.049 -10.298 -8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.062 -8.396 -7.348 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.073 -8.898 -9.055 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.509 -9.167 -8.039 1.00 0.00 H new ATOM 558 N GLY A 35 -2.537 -10.898 -9.412 1.00 0.00 N ATOM 559 CA GLY A 35 -3.992 -10.911 -9.511 1.00 0.00 C ATOM 560 C GLY A 35 -4.661 -10.200 -8.352 1.00 0.00 C ATOM 561 O GLY A 35 -5.660 -9.500 -8.528 1.00 0.00 O ATOM 0 H GLY A 35 -2.081 -10.213 -10.015 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.293 -10.438 -10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.341 -11.943 -9.550 1.00 0.00 H new ATOM 565 N ASP A 36 -4.109 -10.407 -7.172 1.00 0.00 N ATOM 566 CA ASP A 36 -4.599 -9.796 -5.948 1.00 0.00 C ATOM 567 C ASP A 36 -3.438 -9.130 -5.220 1.00 0.00 C ATOM 568 O ASP A 36 -2.609 -9.807 -4.609 1.00 0.00 O ATOM 569 CB ASP A 36 -5.256 -10.872 -5.069 1.00 0.00 C ATOM 570 CG ASP A 36 -5.696 -10.371 -3.705 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.171 -9.228 -3.609 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.578 -11.142 -2.724 1.00 0.00 O ATOM 0 H ASP A 36 -3.299 -11.011 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.346 -9.036 -6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.122 -11.276 -5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.554 -11.694 -4.933 1.00 0.00 H new ATOM 577 N GLY A 37 -3.347 -7.811 -5.331 1.00 0.00 N ATOM 578 CA GLY A 37 -2.242 -7.088 -4.734 1.00 0.00 C ATOM 579 C GLY A 37 -2.492 -5.594 -4.677 1.00 0.00 C ATOM 580 O GLY A 37 -3.621 -5.137 -4.866 1.00 0.00 O ATOM 0 H GLY A 37 -4.022 -7.228 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.069 -7.463 -3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.334 -7.280 -5.306 1.00 0.00 H new ATOM 584 N VAL A 38 -1.440 -4.829 -4.416 1.00 0.00 N ATOM 585 CA VAL A 38 -1.556 -3.382 -4.305 1.00 0.00 C ATOM 586 C VAL A 38 -0.215 -2.691 -4.540 1.00 0.00 C ATOM 587 O VAL A 38 0.833 -3.177 -4.112 1.00 0.00 O ATOM 588 CB VAL A 38 -2.131 -2.973 -2.927 1.00 0.00 C ATOM 589 CG1 VAL A 38 -1.413 -3.695 -1.791 1.00 0.00 C ATOM 590 CG2 VAL A 38 -2.066 -1.468 -2.722 1.00 0.00 C ATOM 0 H VAL A 38 -0.495 -5.188 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.247 -3.056 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.179 -3.272 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.840 -3.386 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.533 -4.772 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.353 -3.443 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.478 -1.216 -1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.028 -1.138 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.645 -0.970 -3.499 1.00 0.00 H new ATOM 600 N ILE A 39 -0.271 -1.564 -5.237 1.00 0.00 N ATOM 601 CA ILE A 39 0.911 -0.741 -5.484 1.00 0.00 C ATOM 602 C ILE A 39 0.801 0.559 -4.681 1.00 0.00 C ATOM 603 O ILE A 39 -0.175 1.302 -4.812 1.00 0.00 O ATOM 604 CB ILE A 39 1.115 -0.386 -6.991 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.516 -1.603 -7.845 1.00 0.00 C ATOM 606 CG2 ILE A 39 2.170 0.697 -7.144 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.409 -2.613 -8.053 1.00 0.00 C ATOM 0 H ILE A 39 -1.129 -1.194 -5.646 1.00 0.00 H new ATOM 0 HA ILE A 39 1.773 -1.330 -5.172 1.00 0.00 H new ATOM 0 HB ILE A 39 0.151 -0.029 -7.353 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.858 -1.251 -8.818 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.362 -2.101 -7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.299 0.932 -8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.853 1.592 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.116 0.344 -6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.778 -3.436 -8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.081 -2.997 -7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.430 -2.134 -8.557 1.00 0.00 H new ATOM 619 N LEU A 40 1.784 0.812 -3.833 1.00 0.00 N ATOM 620 CA LEU A 40 1.835 2.042 -3.051 1.00 0.00 C ATOM 621 C LEU A 40 2.631 3.101 -3.818 1.00 0.00 C ATOM 622 O LEU A 40 3.780 2.864 -4.205 1.00 0.00 O ATOM 623 CB LEU A 40 2.483 1.752 -1.690 1.00 0.00 C ATOM 624 CG LEU A 40 2.031 2.635 -0.520 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.521 2.054 0.795 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.537 4.059 -0.673 1.00 0.00 C ATOM 0 H LEU A 40 2.565 0.178 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 40 0.827 2.420 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.284 0.712 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.563 1.852 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 40 0.941 2.659 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.194 2.690 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.112 1.052 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.610 2.003 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.199 4.658 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.627 4.057 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.149 4.486 -1.598 1.00 0.00 H new ATOM 638 N LEU A 41 2.015 4.255 -4.054 1.00 0.00 N ATOM 639 CA LEU A 41 2.645 5.315 -4.838 1.00 0.00 C ATOM 640 C LEU A 41 3.216 6.419 -3.954 1.00 0.00 C ATOM 641 O LEU A 41 2.465 7.157 -3.316 1.00 0.00 O ATOM 642 CB LEU A 41 1.649 5.931 -5.831 1.00 0.00 C ATOM 643 CG LEU A 41 1.400 5.137 -7.120 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.697 3.820 -6.832 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.582 5.968 -8.096 1.00 0.00 C ATOM 0 H LEU A 41 1.080 4.481 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 41 3.466 4.850 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.695 6.065 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.007 6.924 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 41 2.367 4.909 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.535 3.282 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.314 3.216 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.264 4.017 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.411 5.395 -9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.376 6.223 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.124 6.882 -8.338 1.00 0.00 H new ATOM 657 N SER A 42 4.550 6.525 -3.956 1.00 0.00 N ATOM 658 CA SER A 42 5.280 7.605 -3.286 1.00 0.00 C ATOM 659 C SER A 42 5.128 7.606 -1.763 1.00 0.00 C ATOM 660 O SER A 42 4.048 7.402 -1.214 1.00 0.00 O ATOM 661 CB SER A 42 4.856 8.965 -3.851 1.00 0.00 C ATOM 662 OG SER A 42 5.157 9.059 -5.235 1.00 0.00 O ATOM 0 H SER A 42 5.158 5.856 -4.428 1.00 0.00 H new ATOM 0 HA SER A 42 6.335 7.422 -3.490 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.786 9.109 -3.698 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.366 9.762 -3.310 1.00 0.00 H new ATOM 0 HG SER A 42 4.346 8.888 -5.758 1.00 0.00 H new ATOM 863 N VAL A 56 3.262 3.493 8.682 1.00 0.00 N ATOM 864 CA VAL A 56 3.000 2.266 9.430 1.00 0.00 C ATOM 865 C VAL A 56 1.554 1.798 9.208 1.00 0.00 C ATOM 866 O VAL A 56 1.207 0.647 9.480 1.00 0.00 O ATOM 867 CB VAL A 56 3.260 2.476 10.943 1.00 0.00 C ATOM 868 CG1 VAL A 56 3.148 1.172 11.717 1.00 0.00 C ATOM 869 CG2 VAL A 56 4.625 3.115 11.165 1.00 0.00 C ATOM 0 HA VAL A 56 3.681 1.498 9.064 1.00 0.00 H new ATOM 0 HB VAL A 56 2.491 3.150 11.321 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.337 1.359 12.774 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.146 0.761 11.594 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.881 0.460 11.338 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.792 3.256 12.233 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.401 2.466 10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.660 4.081 10.662 1.00 0.00 H new ATOM 879 N MET A 57 0.736 2.699 8.669 1.00 0.00 N ATOM 880 CA MET A 57 -0.687 2.443 8.453 1.00 0.00 C ATOM 881 C MET A 57 -0.921 1.175 7.628 1.00 0.00 C ATOM 882 O MET A 57 -1.762 0.349 7.980 1.00 0.00 O ATOM 883 CB MET A 57 -1.331 3.643 7.752 1.00 0.00 C ATOM 884 CG MET A 57 -2.829 3.492 7.528 1.00 0.00 C ATOM 885 SD MET A 57 -3.551 4.904 6.670 1.00 0.00 S ATOM 886 CE MET A 57 -3.229 6.220 7.842 1.00 0.00 C ATOM 0 H MET A 57 1.040 3.626 8.370 1.00 0.00 H new ATOM 0 HA MET A 57 -1.147 2.293 9.430 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.150 4.539 8.346 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.843 3.795 6.789 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.016 2.587 6.950 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.325 3.365 8.490 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.900 7.056 7.644 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.395 5.854 8.855 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.196 6.553 7.741 1.00 0.00 H new ATOM 896 N ILE A 58 -0.166 1.016 6.544 1.00 0.00 N ATOM 897 CA ILE A 58 -0.361 -0.113 5.638 1.00 0.00 C ATOM 898 C ILE A 58 -0.047 -1.442 6.336 1.00 0.00 C ATOM 899 O ILE A 58 -0.738 -2.438 6.129 1.00 0.00 O ATOM 900 CB ILE A 58 0.492 0.017 4.343 1.00 0.00 C ATOM 901 CG1 ILE A 58 0.020 1.196 3.479 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.442 -1.267 3.526 1.00 0.00 C ATOM 903 CD1 ILE A 58 0.522 2.549 3.938 1.00 0.00 C ATOM 0 H ILE A 58 0.584 1.652 6.272 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.412 -0.101 5.350 1.00 0.00 H new ATOM 0 HB ILE A 58 1.521 0.201 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.345 1.031 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.070 1.210 3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.046 -1.150 2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.833 -2.092 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.590 -1.480 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.141 3.323 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.175 2.741 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.612 2.558 3.919 1.00 0.00 H new ATOM 915 N ALA A 59 0.971 -1.439 7.189 1.00 0.00 N ATOM 916 CA ALA A 59 1.394 -2.655 7.881 1.00 0.00 C ATOM 917 C ALA A 59 0.336 -3.121 8.883 1.00 0.00 C ATOM 918 O ALA A 59 0.083 -4.319 9.024 1.00 0.00 O ATOM 919 CB ALA A 59 2.727 -2.422 8.579 1.00 0.00 C ATOM 0 H ALA A 59 1.519 -0.610 7.419 1.00 0.00 H new ATOM 0 HA ALA A 59 1.516 -3.444 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.034 -3.334 9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.481 -2.150 7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.622 -1.616 9.305 1.00 0.00 H new ATOM 925 N GLU A 60 -0.282 -2.167 9.568 1.00 0.00 N ATOM 926 CA GLU A 60 -1.327 -2.473 10.539 1.00 0.00 C ATOM 927 C GLU A 60 -2.609 -2.889 9.812 1.00 0.00 C ATOM 928 O GLU A 60 -3.302 -3.818 10.225 1.00 0.00 O ATOM 929 CB GLU A 60 -1.595 -1.248 11.422 1.00 0.00 C ATOM 930 CG GLU A 60 -2.463 -1.529 12.640 1.00 0.00 C ATOM 931 CD GLU A 60 -1.729 -2.290 13.729 1.00 0.00 C ATOM 932 OE1 GLU A 60 -0.734 -1.758 14.263 1.00 0.00 O ATOM 933 OE2 GLU A 60 -2.145 -3.417 14.067 1.00 0.00 O ATOM 0 H GLU A 60 -0.078 -1.173 9.469 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.996 -3.297 11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.641 -0.841 11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.076 -0.478 10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.826 -0.585 13.046 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.338 -2.101 12.331 1.00 0.00 H new ATOM 940 N LEU A 61 -2.894 -2.200 8.710 1.00 0.00 N ATOM 941 CA LEU A 61 -4.083 -2.463 7.895 1.00 0.00 C ATOM 942 C LEU A 61 -4.095 -3.909 7.397 1.00 0.00 C ATOM 943 O LEU A 61 -5.151 -4.534 7.299 1.00 0.00 O ATOM 944 CB LEU A 61 -4.098 -1.498 6.700 1.00 0.00 C ATOM 945 CG LEU A 61 -5.429 -0.797 6.407 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.511 -1.802 6.059 1.00 0.00 C ATOM 947 CD2 LEU A 61 -5.853 0.061 7.591 1.00 0.00 C ATOM 0 H LEU A 61 -2.309 -1.444 8.355 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.971 -2.309 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.339 -0.734 6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.800 -2.052 5.810 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.285 -0.148 5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.444 -1.276 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.213 -2.366 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.655 -2.486 6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.800 0.551 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.972 -0.569 8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.091 0.816 7.785 1.00 0.00 H new ATOM 959 N LEU A 62 -2.910 -4.432 7.103 1.00 0.00 N ATOM 960 CA LEU A 62 -2.760 -5.771 6.542 1.00 0.00 C ATOM 961 C LEU A 62 -3.376 -6.845 7.444 1.00 0.00 C ATOM 962 O LEU A 62 -4.107 -7.714 6.972 1.00 0.00 O ATOM 963 CB LEU A 62 -1.275 -6.072 6.310 1.00 0.00 C ATOM 964 CG LEU A 62 -0.969 -7.434 5.678 1.00 0.00 C ATOM 965 CD1 LEU A 62 -1.564 -7.526 4.279 1.00 0.00 C ATOM 966 CD2 LEU A 62 0.532 -7.675 5.637 1.00 0.00 C ATOM 0 H LEU A 62 -2.027 -3.941 7.246 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.296 -5.794 5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.860 -5.293 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.756 -6.010 7.266 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.427 -8.208 6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.334 -8.501 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.645 -7.399 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.139 -6.744 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.732 -8.647 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.010 -6.894 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.931 -7.657 6.651 1.00 0.00 H new ATOM 978 N ARG A 63 -3.103 -6.769 8.742 1.00 0.00 N ATOM 979 CA ARG A 63 -3.520 -7.822 9.666 1.00 0.00 C ATOM 980 C ARG A 63 -5.010 -7.739 9.981 1.00 0.00 C ATOM 981 O ARG A 63 -5.599 -8.697 10.480 1.00 0.00 O ATOM 982 CB ARG A 63 -2.710 -7.751 10.965 1.00 0.00 C ATOM 983 CG ARG A 63 -2.958 -6.488 11.776 1.00 0.00 C ATOM 984 CD ARG A 63 -2.100 -6.451 13.028 1.00 0.00 C ATOM 985 NE ARG A 63 -0.671 -6.463 12.713 1.00 0.00 N ATOM 986 CZ ARG A 63 0.277 -6.049 13.549 1.00 0.00 C ATOM 987 NH1 ARG A 63 -0.054 -5.535 14.725 1.00 0.00 N ATOM 988 NH2 ARG A 63 1.553 -6.125 13.186 1.00 0.00 N ATOM 0 H ARG A 63 -2.599 -5.996 9.177 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.330 -8.777 9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.950 -8.619 11.579 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.649 -7.814 10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.745 -5.613 11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.011 -6.434 12.054 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.337 -5.556 13.604 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.340 -7.308 13.657 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.385 -6.810 11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.036 -5.457 14.989 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.673 -5.218 15.366 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.801 -6.499 12.270 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.284 -5.809 13.823 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.622 -6.601 9.684 1.00 0.00 N ATOM 1003 CA GLU A 64 -7.026 -6.394 10.003 1.00 0.00 C ATOM 1004 C GLU A 64 -7.894 -6.554 8.750 1.00 0.00 C ATOM 1005 O GLU A 64 -9.113 -6.377 8.794 1.00 0.00 O ATOM 1006 CB GLU A 64 -7.215 -5.004 10.629 1.00 0.00 C ATOM 1007 CG GLU A 64 -8.590 -4.769 11.241 1.00 0.00 C ATOM 1008 CD GLU A 64 -8.855 -5.627 12.464 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -9.165 -6.822 12.304 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -8.776 -5.101 13.597 1.00 0.00 O ATOM 0 H GLU A 64 -5.170 -5.811 9.225 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.342 -7.148 10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.458 -4.861 11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.037 -4.248 9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.684 -3.718 11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.354 -4.972 10.490 1.00 0.00 H new ATOM 1017 N PHE A 65 -7.264 -6.904 7.631 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.991 -7.084 6.380 1.00 0.00 C ATOM 1019 C PHE A 65 -8.265 -8.567 6.128 1.00 0.00 C ATOM 1020 O PHE A 65 -7.373 -9.307 5.716 1.00 0.00 O ATOM 1021 CB PHE A 65 -7.204 -6.496 5.202 1.00 0.00 C ATOM 1022 CG PHE A 65 -8.054 -5.667 4.284 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -9.160 -6.215 3.657 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -7.747 -4.338 4.052 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -9.944 -5.452 2.816 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -8.526 -3.570 3.210 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.629 -4.127 2.593 1.00 0.00 C ATOM 0 H PHE A 65 -6.259 -7.067 7.566 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.941 -6.556 6.465 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.389 -5.882 5.587 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.751 -7.308 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.412 -7.251 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.888 -3.896 4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.804 -5.892 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.273 -2.535 3.034 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.243 -3.527 1.938 1.00 0.00 H new ATOM 1037 N PRO A 66 -9.506 -9.019 6.369 1.00 0.00 N ATOM 1038 CA PRO A 66 -9.883 -10.419 6.210 1.00 0.00 C ATOM 1039 C PRO A 66 -10.416 -10.740 4.811 1.00 0.00 C ATOM 1040 O PRO A 66 -10.785 -11.875 4.526 1.00 0.00 O ATOM 1041 CB PRO A 66 -10.992 -10.566 7.248 1.00 0.00 C ATOM 1042 CG PRO A 66 -11.672 -9.234 7.265 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.645 -8.209 6.839 1.00 0.00 C ATOM 0 HA PRO A 66 -9.038 -11.096 6.339 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.686 -11.362 6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -10.587 -10.817 8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.526 -9.228 6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.053 -9.008 8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.029 -7.564 6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.359 -7.562 7.668 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.446 -9.734 3.942 1.00 0.00 N ATOM 1052 CA GLN A 67 -11.052 -9.883 2.622 1.00 0.00 C ATOM 1053 C GLN A 67 -10.031 -10.295 1.567 1.00 0.00 C ATOM 1054 O GLN A 67 -10.402 -10.779 0.498 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.722 -8.575 2.195 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.898 -8.162 3.067 1.00 0.00 C ATOM 1057 CD GLN A 67 -14.022 -9.178 3.063 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -14.069 -10.079 3.901 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -14.940 -9.038 2.120 1.00 0.00 N ATOM 0 H GLN A 67 -10.059 -8.809 4.127 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.798 -10.674 2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.978 -7.778 2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.065 -8.675 1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.551 -8.016 4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.281 -7.202 2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.865 -8.278 1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.723 -9.690 2.069 1.00 0.00 H new ATOM 1068 N PHE A 68 -8.751 -10.108 1.857 1.00 0.00 N ATOM 1069 CA PHE A 68 -7.721 -10.346 0.854 1.00 0.00 C ATOM 1070 C PHE A 68 -6.558 -11.173 1.383 1.00 0.00 C ATOM 1071 O PHE A 68 -6.381 -11.346 2.594 1.00 0.00 O ATOM 1072 CB PHE A 68 -7.178 -9.023 0.314 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.189 -8.206 -0.433 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -8.659 -8.621 -1.668 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -8.673 -7.027 0.102 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -9.590 -7.869 -2.356 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.602 -6.272 -0.580 1.00 0.00 C ATOM 1078 CZ PHE A 68 -10.063 -6.692 -1.811 1.00 0.00 C ATOM 0 H PHE A 68 -8.404 -9.797 2.764 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.203 -10.913 0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.794 -8.433 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.335 -9.231 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.293 -9.542 -2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.319 -6.694 1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.948 -8.201 -3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.969 -5.351 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 68 -10.792 -6.102 -2.347 1.00 0.00 H new ATOM 1088 N ASP A 69 -5.772 -11.667 0.436 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.529 -12.375 0.708 1.00 0.00 C ATOM 1090 C ASP A 69 -3.472 -11.780 -0.217 1.00 0.00 C ATOM 1091 O ASP A 69 -2.583 -12.466 -0.726 1.00 0.00 O ATOM 1092 CB ASP A 69 -4.708 -13.875 0.437 1.00 0.00 C ATOM 1093 CG ASP A 69 -3.670 -14.741 1.129 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -2.531 -14.853 0.628 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -3.997 -15.339 2.176 1.00 0.00 O ATOM 0 H ASP A 69 -5.984 -11.586 -0.558 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.231 -12.266 1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.702 -14.180 0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.659 -14.051 -0.638 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.601 -10.476 -0.425 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.835 -9.759 -1.435 1.00 0.00 C ATOM 1102 C TRP A 70 -1.376 -9.550 -1.051 1.00 0.00 C ATOM 1103 O TRP A 70 -0.980 -9.716 0.104 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.492 -8.405 -1.745 1.00 0.00 C ATOM 1105 CG TRP A 70 -3.869 -7.578 -0.545 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.463 -7.741 0.751 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.739 -6.439 -0.547 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.040 -6.786 1.553 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.823 -5.971 0.778 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.459 -5.773 -1.543 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.599 -4.866 1.128 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.223 -4.679 -1.192 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.289 -4.234 0.132 1.00 0.00 C ATOM 0 H TRP A 70 -4.242 -9.884 0.104 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.840 -10.388 -2.325 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.810 -7.824 -2.366 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.389 -8.583 -2.338 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.786 -8.510 1.094 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.907 -6.698 2.560 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.418 -6.109 -2.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.653 -4.522 2.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.781 -4.156 -1.955 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.897 -3.374 0.372 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.584 -9.190 -2.054 1.00 0.00 N ATOM 1125 CA GLN A 71 0.816 -8.852 -1.860 1.00 0.00 C ATOM 1126 C GLN A 71 0.988 -7.337 -1.901 1.00 0.00 C ATOM 1127 O GLN A 71 0.579 -6.684 -2.863 1.00 0.00 O ATOM 1128 CB GLN A 71 1.695 -9.504 -2.941 1.00 0.00 C ATOM 1129 CG GLN A 71 1.725 -11.028 -2.896 1.00 0.00 C ATOM 1130 CD GLN A 71 0.462 -11.678 -3.439 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.133 -11.079 -4.462 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 0.045 -12.734 -2.969 1.00 0.00 N flip ATOM 0 H GLN A 71 -0.896 -9.125 -3.023 1.00 0.00 H new ATOM 0 HA GLN A 71 1.130 -9.231 -0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.337 -9.189 -3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.714 -9.130 -2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.582 -11.383 -3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.875 -11.350 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.527 -13.167 -2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.783 -13.177 -3.366 1.00 0.00 H new ATOM 1141 N VAL A 72 1.580 -6.783 -0.853 1.00 0.00 N ATOM 1142 CA VAL A 72 1.795 -5.346 -0.771 1.00 0.00 C ATOM 1143 C VAL A 72 3.115 -4.962 -1.432 1.00 0.00 C ATOM 1144 O VAL A 72 4.152 -5.576 -1.171 1.00 0.00 O ATOM 1145 CB VAL A 72 1.798 -4.860 0.693 1.00 0.00 C ATOM 1146 CG1 VAL A 72 1.952 -3.348 0.759 1.00 0.00 C ATOM 1147 CG2 VAL A 72 0.526 -5.292 1.405 1.00 0.00 C ATOM 0 H VAL A 72 1.920 -7.307 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 72 0.971 -4.864 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 72 2.650 -5.316 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.952 -3.027 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.892 -3.057 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.123 -2.875 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.548 -4.939 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.339 -4.867 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.455 -6.380 1.395 1.00 0.00 H new ATOM 1157 N ALA A 73 3.067 -3.963 -2.296 1.00 0.00 N ATOM 1158 CA ALA A 73 4.260 -3.474 -2.962 1.00 0.00 C ATOM 1159 C ALA A 73 4.262 -1.952 -3.004 1.00 0.00 C ATOM 1160 O ALA A 73 3.217 -1.317 -2.864 1.00 0.00 O ATOM 1161 CB ALA A 73 4.345 -4.045 -4.366 1.00 0.00 C ATOM 0 H ALA A 73 2.210 -3.473 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 73 5.134 -3.801 -2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.244 -3.672 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.385 -5.133 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.467 -3.741 -4.936 1.00 0.00 H new ATOM 1167 N VAL A 74 5.432 -1.369 -3.209 1.00 0.00 N ATOM 1168 CA VAL A 74 5.567 0.079 -3.264 1.00 0.00 C ATOM 1169 C VAL A 74 6.535 0.474 -4.378 1.00 0.00 C ATOM 1170 O VAL A 74 7.531 -0.208 -4.617 1.00 0.00 O ATOM 1171 CB VAL A 74 6.033 0.655 -1.902 1.00 0.00 C ATOM 1172 CG1 VAL A 74 7.299 -0.037 -1.426 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.247 2.164 -1.983 1.00 0.00 C ATOM 0 H VAL A 74 6.306 -1.878 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 74 4.587 0.504 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 74 5.243 0.465 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.606 0.384 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.108 -1.104 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.092 0.111 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.573 2.538 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.008 2.384 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.312 2.650 -2.263 1.00 0.00 H new ATOM 1183 N ALA A 75 6.220 1.556 -5.074 1.00 0.00 N ATOM 1184 CA ALA A 75 7.024 2.004 -6.206 1.00 0.00 C ATOM 1185 C ALA A 75 7.959 3.138 -5.802 1.00 0.00 C ATOM 1186 O ALA A 75 8.278 4.010 -6.616 1.00 0.00 O ATOM 1187 CB ALA A 75 6.114 2.444 -7.344 1.00 0.00 C ATOM 0 H ALA A 75 5.410 2.144 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 75 7.639 1.170 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.720 2.777 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.490 1.606 -7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.480 3.264 -7.006 1.00 0.00 H new ATOM 1193 N ASP A 76 8.397 3.100 -4.544 1.00 0.00 N ATOM 1194 CA ASP A 76 9.294 4.112 -3.980 1.00 0.00 C ATOM 1195 C ASP A 76 8.685 5.511 -4.117 1.00 0.00 C ATOM 1196 O ASP A 76 7.740 5.849 -3.402 1.00 0.00 O ATOM 1197 CB ASP A 76 10.679 4.031 -4.649 1.00 0.00 C ATOM 1198 CG ASP A 76 11.699 4.985 -4.049 1.00 0.00 C ATOM 1199 OD1 ASP A 76 12.294 4.653 -2.999 1.00 0.00 O ATOM 1200 OD2 ASP A 76 11.919 6.066 -4.638 1.00 0.00 O ATOM 0 H ASP A 76 8.140 2.365 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 76 9.423 3.913 -2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.055 3.011 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.573 4.246 -5.712 1.00 0.00 H new ATOM 1205 N LEU A 77 9.209 6.312 -5.040 1.00 0.00 N ATOM 1206 CA LEU A 77 8.659 7.633 -5.325 1.00 0.00 C ATOM 1207 C LEU A 77 8.686 7.906 -6.824 1.00 0.00 C ATOM 1208 O LEU A 77 7.668 8.256 -7.419 1.00 0.00 O ATOM 1209 CB LEU A 77 9.429 8.746 -4.592 1.00 0.00 C ATOM 1210 CG LEU A 77 9.199 8.845 -3.077 1.00 0.00 C ATOM 1211 CD1 LEU A 77 10.110 7.893 -2.319 1.00 0.00 C ATOM 1212 CD2 LEU A 77 9.406 10.274 -2.600 1.00 0.00 C ATOM 0 H LEU A 77 10.020 6.066 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 77 7.630 7.637 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.495 8.598 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.161 9.702 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 77 8.168 8.555 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.924 7.986 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.910 6.869 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.151 8.140 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.239 10.326 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.425 10.589 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.702 10.933 -3.109 1.00 0.00 H new ATOM 1224 N GLU A 78 9.859 7.721 -7.428 1.00 0.00 N ATOM 1225 CA GLU A 78 10.062 8.006 -8.842 1.00 0.00 C ATOM 1226 C GLU A 78 9.100 7.205 -9.717 1.00 0.00 C ATOM 1227 O GLU A 78 8.376 7.764 -10.542 1.00 0.00 O ATOM 1228 CB GLU A 78 11.499 7.669 -9.225 1.00 0.00 C ATOM 1229 CG GLU A 78 12.539 8.251 -8.282 1.00 0.00 C ATOM 1230 CD GLU A 78 13.958 7.898 -8.683 1.00 0.00 C ATOM 1231 OE1 GLU A 78 14.201 6.740 -9.082 1.00 0.00 O ATOM 1232 OE2 GLU A 78 14.842 8.776 -8.589 1.00 0.00 O ATOM 0 H GLU A 78 10.690 7.371 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 78 9.867 9.066 -9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.613 6.585 -9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.692 8.035 -10.233 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.433 9.335 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.351 7.888 -7.272 1.00 0.00 H new ATOM 1239 N GLN A 79 9.089 5.894 -9.514 1.00 0.00 N ATOM 1240 CA GLN A 79 8.254 4.997 -10.305 1.00 0.00 C ATOM 1241 C GLN A 79 6.777 5.246 -10.054 1.00 0.00 C ATOM 1242 O GLN A 79 5.940 4.979 -10.912 1.00 0.00 O ATOM 1243 CB GLN A 79 8.599 3.544 -9.992 1.00 0.00 C ATOM 1244 CG GLN A 79 9.943 3.125 -10.550 1.00 0.00 C ATOM 1245 CD GLN A 79 9.965 3.146 -12.065 1.00 0.00 C ATOM 1246 OE1 GLN A 79 8.950 2.890 -12.719 1.00 0.00 O ATOM 1247 NE2 GLN A 79 11.112 3.470 -12.630 1.00 0.00 N ATOM 0 H GLN A 79 9.652 5.425 -8.804 1.00 0.00 H new ATOM 0 HA GLN A 79 8.455 5.197 -11.358 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.599 3.400 -8.912 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.824 2.896 -10.400 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.717 3.791 -10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.184 2.122 -10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.926 3.674 -12.051 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.185 3.517 -13.646 1.00 0.00 H new ATOM 1256 N SER A 80 6.461 5.775 -8.881 1.00 0.00 N ATOM 1257 CA SER A 80 5.084 6.048 -8.521 1.00 0.00 C ATOM 1258 C SER A 80 4.466 7.096 -9.448 1.00 0.00 C ATOM 1259 O SER A 80 3.294 6.996 -9.811 1.00 0.00 O ATOM 1260 CB SER A 80 5.027 6.523 -7.079 1.00 0.00 C ATOM 1261 OG SER A 80 5.777 5.663 -6.237 1.00 0.00 O ATOM 0 H SER A 80 7.143 6.023 -8.164 1.00 0.00 H new ATOM 0 HA SER A 80 4.507 5.130 -8.628 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.417 7.538 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.991 6.556 -6.743 1.00 0.00 H new ATOM 0 HG SER A 80 6.702 5.981 -6.185 1.00 0.00 H new ATOM 1267 N GLU A 81 5.261 8.089 -9.841 1.00 0.00 N ATOM 1268 CA GLU A 81 4.782 9.135 -10.736 1.00 0.00 C ATOM 1269 C GLU A 81 4.459 8.550 -12.104 1.00 0.00 C ATOM 1270 O GLU A 81 3.451 8.898 -12.717 1.00 0.00 O ATOM 1271 CB GLU A 81 5.815 10.256 -10.868 1.00 0.00 C ATOM 1272 CG GLU A 81 5.355 11.390 -11.772 1.00 0.00 C ATOM 1273 CD GLU A 81 6.339 12.537 -11.834 1.00 0.00 C ATOM 1274 OE1 GLU A 81 7.315 12.449 -12.607 1.00 0.00 O ATOM 1275 OE2 GLU A 81 6.132 13.544 -11.121 1.00 0.00 O ATOM 0 H GLU A 81 6.235 8.190 -9.554 1.00 0.00 H new ATOM 0 HA GLU A 81 3.873 9.559 -10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.037 10.656 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.744 9.841 -11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.195 11.002 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.394 11.762 -11.417 1.00 0.00 H new ATOM 1282 N ALA A 82 5.305 7.636 -12.561 1.00 0.00 N ATOM 1283 CA ALA A 82 5.103 6.988 -13.849 1.00 0.00 C ATOM 1284 C ALA A 82 3.841 6.130 -13.833 1.00 0.00 C ATOM 1285 O ALA A 82 3.088 6.093 -14.808 1.00 0.00 O ATOM 1286 CB ALA A 82 6.320 6.149 -14.208 1.00 0.00 C ATOM 0 H ALA A 82 6.137 7.327 -12.059 1.00 0.00 H new ATOM 0 HA ALA A 82 4.974 7.759 -14.609 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.159 5.669 -15.173 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.200 6.790 -14.264 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.474 5.387 -13.444 1.00 0.00 H new ATOM 1292 N ILE A 83 3.613 5.445 -12.718 1.00 0.00 N ATOM 1293 CA ILE A 83 2.422 4.623 -12.550 1.00 0.00 C ATOM 1294 C ILE A 83 1.176 5.502 -12.445 1.00 0.00 C ATOM 1295 O ILE A 83 0.142 5.212 -13.055 1.00 0.00 O ATOM 1296 CB ILE A 83 2.541 3.724 -11.296 1.00 0.00 C ATOM 1297 CG1 ILE A 83 3.733 2.771 -11.437 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.258 2.939 -11.067 1.00 0.00 C ATOM 1299 CD1 ILE A 83 3.956 1.886 -10.229 1.00 0.00 C ATOM 0 H ILE A 83 4.241 5.443 -11.914 1.00 0.00 H new ATOM 0 HA ILE A 83 2.331 3.982 -13.427 1.00 0.00 H new ATOM 0 HB ILE A 83 2.705 4.365 -10.430 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.581 2.141 -12.314 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.634 3.356 -11.618 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.367 2.315 -10.180 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.428 3.631 -10.924 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.058 2.308 -11.933 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.816 1.240 -10.405 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.141 2.507 -9.352 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.071 1.273 -10.059 1.00 0.00 H new ATOM 1311 N GLY A 84 1.293 6.588 -11.689 1.00 0.00 N ATOM 1312 CA GLY A 84 0.179 7.504 -11.516 1.00 0.00 C ATOM 1313 C GLY A 84 -0.229 8.176 -12.815 1.00 0.00 C ATOM 1314 O GLY A 84 -1.391 8.537 -12.998 1.00 0.00 O ATOM 0 H GLY A 84 2.143 6.852 -11.191 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.674 6.961 -11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.450 8.267 -10.786 1.00 0.00 H new ATOM 1318 N ASP A 85 0.733 8.340 -13.713 1.00 0.00 N ATOM 1319 CA ASP A 85 0.490 8.962 -15.011 1.00 0.00 C ATOM 1320 C ASP A 85 -0.232 8.007 -15.940 1.00 0.00 C ATOM 1321 O ASP A 85 -1.142 8.400 -16.669 1.00 0.00 O ATOM 1322 CB ASP A 85 1.813 9.370 -15.656 1.00 0.00 C ATOM 1323 CG ASP A 85 1.625 9.978 -17.033 1.00 0.00 C ATOM 1324 OD1 ASP A 85 1.327 11.187 -17.118 1.00 0.00 O ATOM 1325 OD2 ASP A 85 1.778 9.250 -18.040 1.00 0.00 O ATOM 0 H ASP A 85 1.699 8.048 -13.565 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.131 9.843 -14.848 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.321 10.088 -15.012 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.460 8.496 -15.733 1.00 0.00 H new ATOM 1330 N ARG A 86 0.193 6.751 -15.887 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.302 5.697 -16.773 1.00 0.00 C ATOM 1332 C ARG A 86 -1.821 5.718 -16.906 1.00 0.00 C ATOM 1333 O ARG A 86 -2.355 5.668 -18.015 1.00 0.00 O ATOM 1334 CB ARG A 86 0.144 4.325 -16.260 1.00 0.00 C ATOM 1335 CG ARG A 86 -0.278 3.172 -17.159 1.00 0.00 C ATOM 1336 CD ARG A 86 0.267 3.351 -18.568 1.00 0.00 C ATOM 1337 NE ARG A 86 -0.286 2.381 -19.511 1.00 0.00 N ATOM 1338 CZ ARG A 86 -0.498 2.639 -20.803 1.00 0.00 C ATOM 1339 NH1 ARG A 86 -0.225 3.845 -21.294 1.00 0.00 N ATOM 1340 NH2 ARG A 86 -0.989 1.699 -21.601 1.00 0.00 N ATOM 0 H ARG A 86 0.897 6.429 -15.223 1.00 0.00 H new ATOM 0 HA ARG A 86 0.122 5.884 -17.760 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.229 4.319 -16.161 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.268 4.167 -15.263 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.082 2.231 -16.743 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.366 3.111 -17.191 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.042 4.359 -18.915 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.353 3.255 -18.549 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.524 1.453 -19.161 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.146 4.572 -20.683 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.387 4.042 -22.282 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.206 0.775 -21.227 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.149 1.901 -22.588 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.514 5.794 -15.785 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.972 5.785 -15.816 1.00 0.00 C ATOM 1356 C PHE A 87 -4.547 7.025 -15.149 1.00 0.00 C ATOM 1357 O PHE A 87 -5.744 7.091 -14.882 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.537 4.509 -15.179 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.656 3.888 -14.133 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.586 4.416 -12.858 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.906 2.763 -14.430 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.783 3.834 -11.897 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -2.100 2.177 -13.476 1.00 0.00 C ATOM 1364 CZ PHE A 87 -2.040 2.714 -12.206 1.00 0.00 C ATOM 0 H PHE A 87 -2.103 5.862 -14.854 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.275 5.797 -16.863 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.503 4.740 -14.731 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.717 3.776 -15.965 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.165 5.293 -12.610 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.952 2.338 -15.422 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.737 4.256 -10.904 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.518 1.301 -13.722 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.412 2.258 -11.455 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.680 8.002 -14.906 1.00 0.00 N ATOM 1375 CA ASN A 88 -4.074 9.301 -14.362 1.00 0.00 C ATOM 1376 C ASN A 88 -4.770 9.166 -13.008 1.00 0.00 C ATOM 1377 O ASN A 88 -5.998 9.192 -12.908 1.00 0.00 O ATOM 1378 CB ASN A 88 -4.963 10.068 -15.351 1.00 0.00 C ATOM 1379 CG ASN A 88 -5.342 11.447 -14.843 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -4.604 12.066 -14.071 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -6.487 11.943 -15.278 1.00 0.00 N ATOM 0 H ASN A 88 -2.679 7.917 -15.081 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.159 9.872 -14.206 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.441 10.166 -16.303 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.869 9.493 -15.542 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.789 12.869 -14.976 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.069 11.400 -15.916 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.973 9.006 -11.967 1.00 0.00 N ATOM 1389 CA VAL A 89 -4.491 8.971 -10.600 1.00 0.00 C ATOM 1390 C VAL A 89 -4.601 10.395 -10.046 1.00 0.00 C ATOM 1391 O VAL A 89 -4.197 10.672 -8.916 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.588 8.126 -9.669 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -4.315 7.773 -8.379 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -3.125 6.864 -10.374 1.00 0.00 C ATOM 0 H VAL A 89 -2.961 8.897 -12.037 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.477 8.507 -10.632 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.713 8.725 -9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.659 7.179 -7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.596 8.688 -7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.212 7.199 -8.612 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.492 6.284 -9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.992 6.268 -10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.559 7.132 -11.266 1.00 0.00 H new ATOM 1404 N ARG A 90 -5.129 11.303 -10.874 1.00 0.00 N ATOM 1405 CA ARG A 90 -5.312 12.711 -10.502 1.00 0.00 C ATOM 1406 C ARG A 90 -3.968 13.383 -10.214 1.00 0.00 C ATOM 1407 O ARG A 90 -3.920 14.498 -9.694 1.00 0.00 O ATOM 1408 CB ARG A 90 -6.235 12.833 -9.281 1.00 0.00 C ATOM 1409 CG ARG A 90 -7.583 12.149 -9.456 1.00 0.00 C ATOM 1410 CD ARG A 90 -8.422 12.827 -10.525 1.00 0.00 C ATOM 1411 NE ARG A 90 -9.574 12.015 -10.903 1.00 0.00 N ATOM 1412 CZ ARG A 90 -10.732 12.507 -11.336 1.00 0.00 C ATOM 1413 NH1 ARG A 90 -10.936 13.819 -11.366 1.00 0.00 N ATOM 1414 NH2 ARG A 90 -11.695 11.683 -11.721 1.00 0.00 N ATOM 0 H ARG A 90 -5.441 11.083 -11.820 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.777 13.220 -11.346 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.732 12.406 -8.413 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.400 13.889 -9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.429 11.104 -9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.122 12.160 -8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.764 13.795 -10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.807 13.017 -11.404 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.486 11.001 -10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.203 14.456 -11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.826 14.189 -11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.548 10.674 -11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.584 12.057 -12.053 1.00 0.00 H new ATOM 1428 N ARG A 91 -2.886 12.691 -10.581 1.00 0.00 N ATOM 1429 CA ARG A 91 -1.520 13.131 -10.297 1.00 0.00 C ATOM 1430 C ARG A 91 -1.261 13.208 -8.789 1.00 0.00 C ATOM 1431 O ARG A 91 -0.349 13.905 -8.341 1.00 0.00 O ATOM 1432 CB ARG A 91 -1.216 14.479 -10.967 1.00 0.00 C ATOM 1433 CG ARG A 91 -1.235 14.423 -12.488 1.00 0.00 C ATOM 1434 CD ARG A 91 -0.695 15.705 -13.101 1.00 0.00 C ATOM 1435 NE ARG A 91 -1.480 16.879 -12.722 1.00 0.00 N ATOM 1436 CZ ARG A 91 -1.087 18.139 -12.912 1.00 0.00 C ATOM 1437 NH1 ARG A 91 0.080 18.402 -13.493 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -1.876 19.134 -12.527 1.00 0.00 N ATOM 0 H ARG A 91 -2.935 11.806 -11.086 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.846 12.385 -10.718 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.946 15.215 -10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.237 14.826 -10.637 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.639 13.577 -12.829 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.255 14.255 -12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.339 15.847 -12.788 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.689 15.611 -14.187 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.388 16.724 -12.284 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.682 17.637 -13.797 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.373 19.369 -13.634 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.775 18.932 -12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.583 20.101 -12.668 1.00 0.00 H new ATOM 1452 N PHE A 92 -2.044 12.467 -8.013 1.00 0.00 N ATOM 1453 CA PHE A 92 -1.865 12.420 -6.570 1.00 0.00 C ATOM 1454 C PHE A 92 -1.381 11.043 -6.131 1.00 0.00 C ATOM 1455 O PHE A 92 -1.959 10.023 -6.507 1.00 0.00 O ATOM 1456 CB PHE A 92 -3.167 12.767 -5.849 1.00 0.00 C ATOM 1457 CG PHE A 92 -3.521 14.225 -5.901 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -2.747 15.157 -5.228 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -4.620 14.664 -6.622 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -3.064 16.500 -5.271 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -4.942 16.007 -6.667 1.00 0.00 C ATOM 1462 CZ PHE A 92 -4.163 16.926 -5.991 1.00 0.00 C ATOM 0 H PHE A 92 -2.810 11.890 -8.362 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.110 13.160 -6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.980 12.190 -6.290 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.087 12.460 -4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.886 14.829 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.231 13.950 -7.154 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.453 17.217 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.802 16.338 -7.230 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.413 17.976 -6.025 1.00 0.00 H new ATOM 1472 N PRO A 93 -0.296 11.004 -5.342 1.00 0.00 N ATOM 1473 CA PRO A 93 0.243 9.759 -4.790 1.00 0.00 C ATOM 1474 C PRO A 93 -0.709 9.141 -3.764 1.00 0.00 C ATOM 1475 O PRO A 93 -1.118 9.803 -2.806 1.00 0.00 O ATOM 1476 CB PRO A 93 1.557 10.194 -4.119 1.00 0.00 C ATOM 1477 CG PRO A 93 1.839 11.565 -4.634 1.00 0.00 C ATOM 1478 CD PRO A 93 0.502 12.170 -4.939 1.00 0.00 C ATOM 0 HA PRO A 93 0.385 8.995 -5.555 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.460 10.196 -3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.368 9.509 -4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.377 12.158 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.464 11.527 -5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.076 12.671 -4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.565 12.912 -5.735 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.065 7.881 -3.973 1.00 0.00 N ATOM 1487 CA ALA A 94 -1.995 7.194 -3.091 1.00 0.00 C ATOM 1488 C ALA A 94 -1.767 5.689 -3.135 1.00 0.00 C ATOM 1489 O ALA A 94 -0.775 5.217 -3.693 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.428 7.539 -3.472 1.00 0.00 C ATOM 0 H ALA A 94 -0.722 7.314 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.819 7.528 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.117 7.020 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.579 8.615 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.616 7.230 -4.500 1.00 0.00 H new ATOM 1496 N THR A 95 -2.675 4.943 -2.531 1.00 0.00 N ATOM 1497 CA THR A 95 -2.582 3.498 -2.524 1.00 0.00 C ATOM 1498 C THR A 95 -3.702 2.915 -3.371 1.00 0.00 C ATOM 1499 O THR A 95 -4.877 3.064 -3.043 1.00 0.00 O ATOM 1500 CB THR A 95 -2.685 2.967 -1.084 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.836 3.739 -0.229 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.276 1.506 -1.012 1.00 0.00 C ATOM 0 H THR A 95 -3.486 5.317 -2.039 1.00 0.00 H new ATOM 0 HA THR A 95 -1.619 3.199 -2.939 1.00 0.00 H new ATOM 0 HB THR A 95 -3.722 3.053 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.903 3.402 0.689 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.358 1.156 0.017 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.931 0.913 -1.651 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.245 1.400 -1.351 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.348 2.266 -4.466 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.343 1.733 -5.376 1.00 0.00 C ATOM 1512 C LEU A 96 -4.489 0.231 -5.213 1.00 0.00 C ATOM 1513 O LEU A 96 -3.505 -0.503 -5.261 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.987 2.062 -6.827 1.00 0.00 C ATOM 1515 CG LEU A 96 -4.038 3.545 -7.195 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.776 4.264 -6.752 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.264 3.719 -8.686 1.00 0.00 C ATOM 0 H LEU A 96 -2.382 2.096 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.295 2.204 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.983 1.689 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.668 1.519 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.879 3.994 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.841 5.317 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.669 4.178 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.911 3.814 -7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.297 4.781 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.449 3.247 -9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.208 3.253 -8.968 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.722 -0.210 -5.026 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.022 -1.629 -4.904 1.00 0.00 C ATOM 1531 C VAL A 97 -6.073 -2.274 -6.280 1.00 0.00 C ATOM 1532 O VAL A 97 -6.767 -1.791 -7.179 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.365 -1.858 -4.174 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -7.745 -3.333 -4.169 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.292 -1.326 -2.753 1.00 0.00 C ATOM 0 H VAL A 97 -6.537 0.399 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.228 -2.088 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.139 -1.313 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.694 -3.462 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.843 -3.687 -5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.971 -3.907 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.245 -1.495 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.501 -1.844 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.078 -0.257 -2.775 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.328 -3.353 -6.446 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.292 -4.061 -7.710 1.00 0.00 C ATOM 1547 C PHE A 98 -5.724 -5.505 -7.532 1.00 0.00 C ATOM 1548 O PHE A 98 -4.941 -6.360 -7.127 1.00 0.00 O ATOM 1549 CB PHE A 98 -3.897 -4.009 -8.330 1.00 0.00 C ATOM 1550 CG PHE A 98 -3.526 -2.661 -8.876 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -2.920 -1.708 -8.074 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -3.783 -2.350 -10.196 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.574 -0.470 -8.584 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.440 -1.118 -10.711 1.00 0.00 C ATOM 1555 CZ PHE A 98 -2.838 -0.175 -9.908 1.00 0.00 C ATOM 0 H PHE A 98 -4.739 -3.757 -5.718 1.00 0.00 H new ATOM 0 HA PHE A 98 -5.990 -3.565 -8.385 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.164 -4.300 -7.577 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.839 -4.744 -9.133 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.715 -1.934 -7.038 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.259 -3.081 -10.833 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.099 0.264 -7.950 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.644 -0.892 -11.747 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.573 0.791 -10.311 1.00 0.00 H new ATOM 1565 N THR A 99 -6.979 -5.760 -7.830 1.00 0.00 N ATOM 1566 CA THR A 99 -7.535 -7.091 -7.747 1.00 0.00 C ATOM 1567 C THR A 99 -8.289 -7.365 -9.030 1.00 0.00 C ATOM 1568 O THR A 99 -8.465 -6.445 -9.833 1.00 0.00 O ATOM 1569 CB THR A 99 -8.472 -7.263 -6.529 1.00 0.00 C ATOM 1570 OG1 THR A 99 -9.516 -6.280 -6.548 1.00 0.00 O ATOM 1571 CG2 THR A 99 -7.698 -7.139 -5.230 1.00 0.00 C ATOM 0 H THR A 99 -7.643 -5.049 -8.137 1.00 0.00 H new ATOM 0 HA THR A 99 -6.720 -7.803 -7.614 1.00 0.00 H new ATOM 0 HB THR A 99 -8.912 -8.258 -6.592 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.099 -6.407 -5.770 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.379 -7.264 -4.388 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.927 -7.909 -5.191 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.231 -6.155 -5.177 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.703 -8.616 -9.236 1.00 0.00 N ATOM 1580 CA ASP A 100 -9.390 -9.019 -10.472 1.00 0.00 C ATOM 1581 C ASP A 100 -8.406 -9.032 -11.632 1.00 0.00 C ATOM 1582 O ASP A 100 -8.779 -9.271 -12.782 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.533 -8.046 -10.804 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.895 -8.693 -10.906 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -12.190 -9.296 -11.958 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -12.683 -8.550 -9.948 1.00 0.00 O ATOM 0 H ASP A 100 -8.576 -9.372 -8.563 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.802 -10.017 -10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.569 -7.272 -10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.308 -7.550 -11.748 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.139 -8.796 -11.313 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.158 -8.491 -12.333 1.00 0.00 C ATOM 1593 C GLY A 101 -6.498 -7.190 -13.038 1.00 0.00 C ATOM 1594 O GLY A 101 -6.154 -6.994 -14.203 1.00 0.00 O ATOM 0 H GLY A 101 -6.774 -8.811 -10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.169 -8.417 -11.882 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.117 -9.303 -13.059 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.184 -6.301 -12.321 1.00 0.00 N ATOM 1599 CA LYS A 102 -7.700 -5.070 -12.899 1.00 0.00 C ATOM 1600 C LYS A 102 -7.411 -3.882 -11.986 1.00 0.00 C ATOM 1601 O LYS A 102 -6.922 -4.045 -10.868 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.214 -5.184 -13.110 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.640 -6.328 -14.024 1.00 0.00 C ATOM 1604 CD LYS A 102 -11.155 -6.415 -14.122 1.00 0.00 C ATOM 1605 CE LYS A 102 -11.607 -7.579 -14.996 1.00 0.00 C ATOM 1606 NZ LYS A 102 -11.289 -8.902 -14.392 1.00 0.00 N ATOM 0 H LYS A 102 -7.395 -6.416 -11.330 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.205 -4.911 -13.857 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.695 -5.312 -12.140 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.582 -4.246 -13.527 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.216 -6.181 -15.017 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.242 -7.269 -13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.577 -6.527 -13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.546 -5.483 -14.530 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.682 -7.508 -15.163 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.128 -7.504 -15.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.661 -9.660 -15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.258 -9.004 -14.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.725 -8.968 -13.450 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.731 -2.692 -12.470 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.580 -1.476 -11.688 1.00 0.00 C ATOM 1622 C LEU A 103 -8.872 -1.176 -10.934 1.00 0.00 C ATOM 1623 O LEU A 103 -9.887 -0.817 -11.538 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.217 -0.299 -12.602 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.107 1.068 -11.914 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -5.974 1.076 -10.900 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.911 2.168 -12.946 1.00 0.00 C ATOM 0 H LEU A 103 -8.100 -2.543 -13.409 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.775 -1.620 -10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.266 -0.519 -13.086 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.967 -0.230 -13.390 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.038 1.257 -11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.917 2.056 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.160 0.316 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.032 0.862 -11.405 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.835 3.131 -12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.997 1.980 -13.509 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.761 2.182 -13.628 1.00 0.00 H new ATOM 1639 N ARG A 104 -8.841 -1.357 -9.619 1.00 0.00 N ATOM 1640 CA ARG A 104 -9.984 -1.026 -8.781 1.00 0.00 C ATOM 1641 C ARG A 104 -10.066 0.485 -8.599 1.00 0.00 C ATOM 1642 O ARG A 104 -11.037 1.123 -9.004 1.00 0.00 O ATOM 1643 CB ARG A 104 -9.862 -1.697 -7.410 1.00 0.00 C ATOM 1644 CG ARG A 104 -9.789 -3.218 -7.447 1.00 0.00 C ATOM 1645 CD ARG A 104 -11.166 -3.869 -7.408 1.00 0.00 C ATOM 1646 NE ARG A 104 -11.840 -3.860 -8.703 1.00 0.00 N ATOM 1647 CZ ARG A 104 -12.323 -4.957 -9.293 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -12.152 -6.154 -8.732 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -12.963 -4.855 -10.451 1.00 0.00 N ATOM 0 H ARG A 104 -8.038 -1.730 -9.112 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.888 -1.389 -9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.970 -1.317 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.716 -1.403 -6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.268 -3.532 -8.351 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.200 -3.571 -6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.065 -4.899 -7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.787 -3.349 -6.678 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.948 -2.967 -9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.650 -6.236 -7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.523 -6.988 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.085 -3.941 -10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.333 -5.690 -10.904 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.022 1.050 -8.009 1.00 0.00 N ATOM 1664 CA GLY A 105 -8.992 2.478 -7.757 1.00 0.00 C ATOM 1665 C GLY A 105 -8.022 2.845 -6.657 1.00 0.00 C ATOM 1666 O GLY A 105 -7.364 1.972 -6.092 1.00 0.00 O ATOM 0 H GLY A 105 -8.192 0.544 -7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.715 3.001 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.991 2.818 -7.486 1.00 0.00 H new ATOM 1670 N ALA A 106 -7.934 4.132 -6.352 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.022 4.616 -5.328 1.00 0.00 C ATOM 1672 C ALA A 106 -7.762 4.895 -4.027 1.00 0.00 C ATOM 1673 O ALA A 106 -8.884 5.401 -4.039 1.00 0.00 O ATOM 1674 CB ALA A 106 -6.315 5.875 -5.803 1.00 0.00 C ATOM 0 H ALA A 106 -8.486 4.862 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.280 3.839 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.636 6.226 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.749 5.655 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.053 6.648 -6.016 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.131 4.563 -2.913 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.718 4.789 -1.602 1.00 0.00 C ATOM 1682 C LEU A 107 -6.891 5.797 -0.817 1.00 0.00 C ATOM 1683 O LEU A 107 -5.702 5.985 -1.089 1.00 0.00 O ATOM 1684 CB LEU A 107 -7.827 3.478 -0.806 1.00 0.00 C ATOM 1685 CG LEU A 107 -8.992 2.550 -1.175 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -10.320 3.284 -1.073 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -8.810 1.960 -2.566 1.00 0.00 C ATOM 0 H LEU A 107 -6.206 4.133 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.722 5.185 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.896 2.924 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.910 3.727 0.252 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.999 1.726 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.131 2.607 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.463 3.638 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.319 4.134 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.652 1.307 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.763 2.765 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.885 1.384 -2.599 1.00 0.00 H new ATOM 1699 N SER A 108 -7.526 6.441 0.150 1.00 0.00 N ATOM 1700 CA SER A 108 -6.857 7.420 0.988 1.00 0.00 C ATOM 1701 C SER A 108 -7.256 7.209 2.447 1.00 0.00 C ATOM 1702 O SER A 108 -8.422 6.935 2.743 1.00 0.00 O ATOM 1703 CB SER A 108 -7.216 8.840 0.535 1.00 0.00 C ATOM 1704 OG SER A 108 -6.493 9.817 1.266 1.00 0.00 O ATOM 0 H SER A 108 -8.511 6.301 0.374 1.00 0.00 H new ATOM 0 HA SER A 108 -5.779 7.292 0.895 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.003 8.949 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.286 9.005 0.664 1.00 0.00 H new ATOM 0 HG SER A 108 -6.743 10.711 0.953 1.00 0.00 H new ATOM 1710 N GLY A 109 -6.290 7.331 3.349 1.00 0.00 N ATOM 1711 CA GLY A 109 -6.564 7.140 4.760 1.00 0.00 C ATOM 1712 C GLY A 109 -7.166 8.375 5.396 1.00 0.00 C ATOM 1713 O GLY A 109 -6.448 9.222 5.920 1.00 0.00 O ATOM 0 H GLY A 109 -5.321 7.559 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.246 6.299 4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.640 6.881 5.276 1.00 0.00 H new ATOM 1717 N ILE A 110 -8.484 8.483 5.331 1.00 0.00 N ATOM 1718 CA ILE A 110 -9.189 9.616 5.915 1.00 0.00 C ATOM 1719 C ILE A 110 -9.315 9.441 7.426 1.00 0.00 C ATOM 1720 O ILE A 110 -9.136 10.386 8.192 1.00 0.00 O ATOM 1721 CB ILE A 110 -10.595 9.782 5.292 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -10.502 9.864 3.763 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -11.290 11.019 5.851 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -9.713 11.055 3.255 1.00 0.00 C ATOM 0 H ILE A 110 -9.090 7.798 4.878 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.609 10.514 5.702 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.189 8.907 5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.042 8.950 3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.510 9.906 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.277 11.117 5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -11.393 10.921 6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.697 11.904 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.694 11.041 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.184 11.976 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.693 11.005 3.636 1.00 0.00 H new ATOM 1736 N HIS A 111 -9.627 8.220 7.843 1.00 0.00 N ATOM 1737 CA HIS A 111 -9.769 7.888 9.257 1.00 0.00 C ATOM 1738 C HIS A 111 -9.309 6.459 9.489 1.00 0.00 C ATOM 1739 O HIS A 111 -9.125 5.713 8.526 1.00 0.00 O ATOM 1740 CB HIS A 111 -11.229 8.025 9.713 1.00 0.00 C ATOM 1741 CG HIS A 111 -11.749 9.427 9.718 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -12.799 9.839 8.934 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -11.352 10.517 10.418 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -13.031 11.121 9.152 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -12.167 11.556 10.050 1.00 0.00 N ATOM 0 H HIS A 111 -9.788 7.434 7.214 1.00 0.00 H new ATOM 0 HA HIS A 111 -9.157 8.581 9.834 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -11.858 7.420 9.060 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -11.323 7.613 10.718 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -13.318 9.248 8.285 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -10.544 10.559 11.133 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -13.798 11.713 8.676 1.00 0.00 H new ATOM 1754 N PRO A 112 -9.096 6.057 10.756 1.00 0.00 N ATOM 1755 CA PRO A 112 -8.868 4.654 11.095 1.00 0.00 C ATOM 1756 C PRO A 112 -10.104 3.815 10.779 1.00 0.00 C ATOM 1757 O PRO A 112 -10.975 3.617 11.630 1.00 0.00 O ATOM 1758 CB PRO A 112 -8.582 4.672 12.600 1.00 0.00 C ATOM 1759 CG PRO A 112 -9.152 5.962 13.088 1.00 0.00 C ATOM 1760 CD PRO A 112 -9.036 6.929 11.944 1.00 0.00 C ATOM 0 HA PRO A 112 -8.051 4.211 10.525 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.046 3.822 13.100 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.512 4.613 12.799 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.192 5.839 13.390 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -8.607 6.323 13.960 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.846 7.658 11.949 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -8.102 7.490 11.985 1.00 0.00 H new ATOM 1768 N TRP A 113 -10.173 3.367 9.530 1.00 0.00 N ATOM 1769 CA TRP A 113 -11.324 2.661 8.983 1.00 0.00 C ATOM 1770 C TRP A 113 -12.512 3.602 8.804 1.00 0.00 C ATOM 1771 O TRP A 113 -12.558 4.326 7.813 1.00 0.00 O ATOM 1772 CB TRP A 113 -11.697 1.424 9.804 1.00 0.00 C ATOM 1773 CG TRP A 113 -11.572 0.179 9.002 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -12.500 -0.322 8.143 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -10.453 -0.707 8.953 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -12.033 -1.474 7.564 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -10.776 -1.732 8.045 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -9.209 -0.736 9.591 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -9.902 -2.770 7.756 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -8.341 -1.768 9.301 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -8.690 -2.774 8.391 1.00 0.00 C ATOM 0 H TRP A 113 -9.416 3.487 8.857 1.00 0.00 H new ATOM 0 HA TRP A 113 -11.036 2.297 7.997 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.052 1.360 10.680 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -12.720 1.522 10.168 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -13.464 0.123 7.946 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.538 -2.045 6.887 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -8.933 0.034 10.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -10.169 -3.547 7.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.376 -1.801 9.784 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.988 -3.569 8.186 1.00 0.00 H new ATOM 1792 N ALA A 114 -13.436 3.612 9.767 1.00 0.00 N ATOM 1793 CA ALA A 114 -14.648 4.441 9.710 1.00 0.00 C ATOM 1794 C ALA A 114 -15.398 4.302 8.378 1.00 0.00 C ATOM 1795 O ALA A 114 -16.291 3.463 8.244 1.00 0.00 O ATOM 1796 CB ALA A 114 -14.316 5.901 9.993 1.00 0.00 C ATOM 0 H ALA A 114 -13.367 3.045 10.612 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.318 4.074 10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.227 6.497 9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.876 5.988 10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.606 6.264 9.249 1.00 0.00 H new ATOM 1802 N GLU A 115 -15.009 5.104 7.394 1.00 0.00 N ATOM 1803 CA GLU A 115 -15.682 5.139 6.101 1.00 0.00 C ATOM 1804 C GLU A 115 -15.328 3.909 5.270 1.00 0.00 C ATOM 1805 O GLU A 115 -16.059 3.539 4.348 1.00 0.00 O ATOM 1806 CB GLU A 115 -15.293 6.400 5.317 1.00 0.00 C ATOM 1807 CG GLU A 115 -15.843 7.707 5.878 1.00 0.00 C ATOM 1808 CD GLU A 115 -15.176 8.149 7.170 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -13.952 7.953 7.320 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -15.874 8.717 8.037 1.00 0.00 O ATOM 0 H GLU A 115 -14.221 5.747 7.469 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.755 5.149 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -14.206 6.467 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -15.638 6.290 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -15.722 8.491 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -16.913 7.595 6.052 1.00 0.00 H new ATOM 1817 N LEU A 116 -14.202 3.283 5.602 1.00 0.00 N ATOM 1818 CA LEU A 116 -13.707 2.121 4.865 1.00 0.00 C ATOM 1819 C LEU A 116 -14.738 0.995 4.784 1.00 0.00 C ATOM 1820 O LEU A 116 -14.765 0.258 3.807 1.00 0.00 O ATOM 1821 CB LEU A 116 -12.411 1.600 5.484 1.00 0.00 C ATOM 1822 CG LEU A 116 -11.153 2.395 5.135 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -9.961 1.880 5.927 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -10.870 2.307 3.644 1.00 0.00 C ATOM 0 H LEU A 116 -13.610 3.563 6.384 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.511 2.457 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.525 1.589 6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.267 0.567 5.168 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.320 3.439 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.074 2.457 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.161 1.984 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.793 0.829 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.971 2.878 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.721 1.264 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.714 2.716 3.089 1.00 0.00 H new ATOM 1836 N LEU A 117 -15.579 0.863 5.808 1.00 0.00 N ATOM 1837 CA LEU A 117 -16.615 -0.176 5.820 1.00 0.00 C ATOM 1838 C LEU A 117 -17.479 -0.117 4.560 1.00 0.00 C ATOM 1839 O LEU A 117 -17.711 -1.133 3.903 1.00 0.00 O ATOM 1840 CB LEU A 117 -17.501 -0.046 7.065 1.00 0.00 C ATOM 1841 CG LEU A 117 -17.049 -0.857 8.286 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -16.975 -2.336 7.944 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -15.710 -0.362 8.806 1.00 0.00 C ATOM 0 H LEU A 117 -15.567 1.457 6.637 1.00 0.00 H new ATOM 0 HA LEU A 117 -16.108 -1.141 5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -17.549 1.006 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -18.514 -0.352 6.802 1.00 0.00 H new ATOM 0 HG LEU A 117 -17.788 -0.719 9.075 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -16.653 -2.897 8.821 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -17.958 -2.687 7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -16.261 -2.487 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -15.414 -0.955 9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.957 -0.461 8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.797 0.685 9.096 1.00 0.00 H new ATOM 1855 N THR A 118 -17.933 1.078 4.215 1.00 0.00 N ATOM 1856 CA THR A 118 -18.764 1.266 3.036 1.00 0.00 C ATOM 1857 C THR A 118 -17.922 1.193 1.762 1.00 0.00 C ATOM 1858 O THR A 118 -18.375 0.687 0.731 1.00 0.00 O ATOM 1859 CB THR A 118 -19.496 2.621 3.106 1.00 0.00 C ATOM 1860 OG1 THR A 118 -20.164 2.737 4.370 1.00 0.00 O ATOM 1861 CG2 THR A 118 -20.511 2.763 1.981 1.00 0.00 C ATOM 0 H THR A 118 -17.740 1.933 4.736 1.00 0.00 H new ATOM 0 HA THR A 118 -19.503 0.465 3.010 1.00 0.00 H new ATOM 0 HB THR A 118 -18.756 3.414 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 118 -20.628 3.599 4.417 1.00 0.00 H new ATOM 0 HG21 THR A 118 -21.009 3.729 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 118 -20.001 2.695 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 118 -21.251 1.966 2.056 1.00 0.00 H new ATOM 1869 N LEU A 119 -16.688 1.678 1.848 1.00 0.00 N ATOM 1870 CA LEU A 119 -15.777 1.657 0.711 1.00 0.00 C ATOM 1871 C LEU A 119 -15.450 0.222 0.314 1.00 0.00 C ATOM 1872 O LEU A 119 -15.507 -0.132 -0.862 1.00 0.00 O ATOM 1873 CB LEU A 119 -14.488 2.417 1.040 1.00 0.00 C ATOM 1874 CG LEU A 119 -14.666 3.909 1.332 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -13.330 4.542 1.689 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -15.289 4.617 0.137 1.00 0.00 C ATOM 0 H LEU A 119 -16.296 2.091 2.694 1.00 0.00 H new ATOM 0 HA LEU A 119 -16.269 2.149 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -14.019 1.948 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.797 2.307 0.204 1.00 0.00 H new ATOM 0 HG LEU A 119 -15.338 4.016 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -13.473 5.603 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.921 4.054 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.637 4.424 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -15.408 5.677 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -14.641 4.502 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -16.264 4.180 -0.077 1.00 0.00 H new ATOM 1888 N MET A 120 -15.123 -0.601 1.305 1.00 0.00 N ATOM 1889 CA MET A 120 -14.798 -2.003 1.074 1.00 0.00 C ATOM 1890 C MET A 120 -15.932 -2.724 0.363 1.00 0.00 C ATOM 1891 O MET A 120 -15.707 -3.422 -0.620 1.00 0.00 O ATOM 1892 CB MET A 120 -14.491 -2.715 2.393 1.00 0.00 C ATOM 1893 CG MET A 120 -13.007 -2.859 2.721 1.00 0.00 C ATOM 1894 SD MET A 120 -12.149 -1.290 2.977 1.00 0.00 S ATOM 1895 CE MET A 120 -11.763 -0.813 1.295 1.00 0.00 C ATOM 0 H MET A 120 -15.076 -0.317 2.284 1.00 0.00 H new ATOM 0 HA MET A 120 -13.914 -2.029 0.437 1.00 0.00 H new ATOM 0 HB2 MET A 120 -14.975 -2.170 3.203 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.939 -3.708 2.365 1.00 0.00 H new ATOM 0 HG2 MET A 120 -12.902 -3.468 3.619 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.518 -3.399 1.910 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.784 -0.334 1.268 1.00 0.00 H new ATOM 0 HE2 MET A 120 -11.752 -1.698 0.659 1.00 0.00 H new ATOM 0 HE3 MET A 120 -12.518 -0.116 0.932 1.00 0.00 H new ATOM 1905 N ARG A 121 -17.151 -2.542 0.855 1.00 0.00 N ATOM 1906 CA ARG A 121 -18.304 -3.231 0.291 1.00 0.00 C ATOM 1907 C ARG A 121 -18.530 -2.794 -1.157 1.00 0.00 C ATOM 1908 O ARG A 121 -18.836 -3.611 -2.022 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.558 -2.954 1.134 1.00 0.00 C ATOM 1910 CG ARG A 121 -20.592 -4.076 1.079 1.00 0.00 C ATOM 1911 CD ARG A 121 -21.302 -4.135 -0.268 1.00 0.00 C ATOM 1912 NE ARG A 121 -22.012 -5.396 -0.470 1.00 0.00 N ATOM 1913 CZ ARG A 121 -23.337 -5.515 -0.523 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -24.122 -4.459 -0.338 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -23.881 -6.698 -0.766 1.00 0.00 N ATOM 0 H ARG A 121 -17.366 -1.926 1.639 1.00 0.00 H new ATOM 0 HA ARG A 121 -18.107 -4.303 0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -19.261 -2.796 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.020 -2.029 0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -20.102 -5.030 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.328 -3.930 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.009 -3.308 -0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.572 -4.000 -1.066 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.454 -6.243 -0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.711 -3.544 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.136 -4.563 -0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.285 -7.513 -0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.896 -6.794 -0.807 1.00 0.00 H new ATOM 1929 N SER A 122 -18.368 -1.504 -1.412 1.00 0.00 N ATOM 1930 CA SER A 122 -18.601 -0.955 -2.739 1.00 0.00 C ATOM 1931 C SER A 122 -17.533 -1.437 -3.727 1.00 0.00 C ATOM 1932 O SER A 122 -17.841 -1.786 -4.870 1.00 0.00 O ATOM 1933 CB SER A 122 -18.625 0.576 -2.671 1.00 0.00 C ATOM 1934 OG SER A 122 -19.158 1.143 -3.857 1.00 0.00 O ATOM 0 H SER A 122 -18.076 -0.818 -0.716 1.00 0.00 H new ATOM 0 HA SER A 122 -19.568 -1.308 -3.097 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.221 0.893 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 122 -17.614 0.950 -2.511 1.00 0.00 H new ATOM 0 HG SER A 122 -19.160 2.120 -3.780 1.00 0.00 H new ATOM 1940 N ILE A 123 -16.284 -1.478 -3.277 1.00 0.00 N ATOM 1941 CA ILE A 123 -15.177 -1.879 -4.133 1.00 0.00 C ATOM 1942 C ILE A 123 -15.137 -3.398 -4.313 1.00 0.00 C ATOM 1943 O ILE A 123 -15.068 -3.899 -5.437 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.824 -1.392 -3.569 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.808 0.137 -3.474 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.676 -1.880 -4.443 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -12.543 0.703 -2.857 1.00 0.00 C ATOM 0 H ILE A 123 -16.014 -1.238 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 123 -15.342 -1.412 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.696 -1.805 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -13.931 0.554 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -14.665 0.463 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.730 -1.528 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.677 -2.970 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.798 -1.492 -5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -12.609 1.791 -2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -12.428 0.317 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -11.682 0.409 -3.458 1.00 0.00 H new ATOM 1959 N VAL A 124 -15.211 -4.129 -3.208 1.00 0.00 N ATOM 1960 CA VAL A 124 -15.069 -5.578 -3.237 1.00 0.00 C ATOM 1961 C VAL A 124 -16.132 -6.270 -2.380 1.00 0.00 C ATOM 1962 O VAL A 124 -15.872 -6.690 -1.250 1.00 0.00 O ATOM 1963 CB VAL A 124 -13.655 -6.024 -2.786 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.629 -5.737 -3.872 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -13.248 -5.334 -1.489 1.00 0.00 C ATOM 0 H VAL A 124 -15.369 -3.740 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 124 -15.212 -5.882 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 124 -13.689 -7.099 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -11.643 -6.058 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.897 -6.280 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.611 -4.668 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.252 -5.666 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.241 -4.254 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.960 -5.587 -0.703 1.00 0.00 H new ATOM 1975 N ASP A 125 -17.341 -6.358 -2.923 1.00 0.00 N ATOM 1976 CA ASP A 125 -18.446 -7.060 -2.263 1.00 0.00 C ATOM 1977 C ASP A 125 -18.049 -8.483 -1.877 1.00 0.00 C ATOM 1978 O ASP A 125 -18.372 -8.948 -0.787 1.00 0.00 O ATOM 1979 CB ASP A 125 -19.672 -7.095 -3.178 1.00 0.00 C ATOM 1980 CG ASP A 125 -20.707 -8.117 -2.738 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -21.484 -7.830 -1.803 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -20.760 -9.208 -3.349 1.00 0.00 O ATOM 0 H ASP A 125 -17.586 -5.950 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 125 -18.690 -6.514 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -20.131 -6.107 -3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -19.354 -7.322 -4.196 1.00 0.00 H new