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 Set 1.1: A 42 SER OG : rot 100:sc= 0.945 USER MOD Set 1.2: A 80 SER OG : rot 177:sc= 0.0151 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 62:sc= 1.24 USER MOD Single : A 20 GLN : amide:sc= 0.00319 X(o=0.0032,f=-0.12) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -41:sc= 0.923 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0.155 (180deg=0.134) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.28) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.15 F(o=-3.6!,f=-1.2) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.11 F(o=-1.2,f=-0.11) USER MOD Single : A 88 ASN : amide:sc= -0.61 K(o=-0.61,f=-2.1) USER MOD Single : A 95 THR OG1 : rot -170:sc= -0.266 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 166:sc= 0.0687 (180deg=-0.0898) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 157:sc= -0.23 (180deg=-0.812) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 16.412 1.972 6.348 1.00 0.00 N ATOM 126 CA LEU A 10 15.135 1.375 6.722 1.00 0.00 C ATOM 127 C LEU A 10 14.488 0.657 5.539 1.00 0.00 C ATOM 128 O LEU A 10 13.742 -0.308 5.714 1.00 0.00 O ATOM 129 CB LEU A 10 14.195 2.449 7.296 1.00 0.00 C ATOM 130 CG LEU A 10 13.952 3.690 6.416 1.00 0.00 C ATOM 131 CD1 LEU A 10 12.843 3.445 5.400 1.00 0.00 C ATOM 132 CD2 LEU A 10 13.620 4.897 7.282 1.00 0.00 C ATOM 0 HA LEU A 10 15.321 0.628 7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.231 1.984 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 10 14.600 2.782 8.251 1.00 0.00 H new ATOM 0 HG LEU A 10 14.870 3.892 5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.698 4.341 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.120 2.612 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.917 3.206 5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 10 13.451 5.766 6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.721 4.692 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.450 5.099 7.959 1.00 0.00 H new ATOM 144 N TRP A 11 14.790 1.127 4.335 1.00 0.00 N ATOM 145 CA TRP A 11 14.242 0.540 3.120 1.00 0.00 C ATOM 146 C TRP A 11 14.744 -0.894 2.960 1.00 0.00 C ATOM 147 O TRP A 11 14.041 -1.758 2.440 1.00 0.00 O ATOM 148 CB TRP A 11 14.636 1.393 1.910 1.00 0.00 C ATOM 149 CG TRP A 11 13.791 1.160 0.694 1.00 0.00 C ATOM 150 CD1 TRP A 11 14.126 0.437 -0.414 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.471 1.666 0.458 1.00 0.00 C ATOM 152 NE1 TRP A 11 13.095 0.462 -1.322 1.00 0.00 N ATOM 153 CE2 TRP A 11 12.069 1.209 -0.810 1.00 0.00 C ATOM 154 CE3 TRP A 11 11.589 2.463 1.195 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.826 1.517 -1.355 1.00 0.00 C ATOM 156 CZ3 TRP A 11 10.354 2.767 0.653 1.00 0.00 C ATOM 157 CH2 TRP A 11 9.984 2.295 -0.613 1.00 0.00 C ATOM 0 H TRP A 11 15.415 1.917 4.174 1.00 0.00 H new ATOM 0 HA TRP A 11 13.154 0.516 3.188 1.00 0.00 H new ATOM 0 HB2 TRP A 11 14.574 2.446 2.186 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.677 1.190 1.660 1.00 0.00 H new ATOM 0 HD1 TRP A 11 15.064 -0.079 -0.556 1.00 0.00 H new ATOM 0 HE1 TRP A 11 13.094 -0.001 -2.231 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.868 2.834 2.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.538 1.154 -2.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.663 3.378 1.215 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.013 2.552 -1.010 1.00 0.00 H new ATOM 168 N GLN A 12 15.957 -1.140 3.445 1.00 0.00 N ATOM 169 CA GLN A 12 16.555 -2.470 3.408 1.00 0.00 C ATOM 170 C GLN A 12 15.748 -3.440 4.269 1.00 0.00 C ATOM 171 O GLN A 12 15.592 -4.616 3.932 1.00 0.00 O ATOM 172 CB GLN A 12 18.001 -2.401 3.903 1.00 0.00 C ATOM 173 CG GLN A 12 18.718 -3.738 3.928 1.00 0.00 C ATOM 174 CD GLN A 12 20.103 -3.633 4.528 1.00 0.00 C ATOM 175 OE1 GLN A 12 20.284 -3.774 5.740 1.00 0.00 O ATOM 176 NE2 GLN A 12 21.089 -3.374 3.688 1.00 0.00 N ATOM 0 H GLN A 12 16.550 -0.428 3.872 1.00 0.00 H new ATOM 0 HA GLN A 12 16.547 -2.833 2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.558 -1.715 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.009 -1.979 4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.129 -4.454 4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.792 -4.127 2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.895 -3.265 2.693 1.00 0.00 H new ATOM 0 HE22 GLN A 12 22.044 -3.283 4.035 1.00 0.00 H new ATOM 185 N ARG A 13 15.223 -2.933 5.376 1.00 0.00 N ATOM 186 CA ARG A 13 14.405 -3.736 6.272 1.00 0.00 C ATOM 187 C ARG A 13 13.087 -4.111 5.604 1.00 0.00 C ATOM 188 O ARG A 13 12.608 -5.238 5.743 1.00 0.00 O ATOM 189 CB ARG A 13 14.143 -2.988 7.581 1.00 0.00 C ATOM 190 CG ARG A 13 15.332 -2.971 8.527 1.00 0.00 C ATOM 191 CD ARG A 13 15.699 -4.378 8.971 1.00 0.00 C ATOM 192 NE ARG A 13 14.537 -5.101 9.489 1.00 0.00 N ATOM 193 CZ ARG A 13 14.450 -6.430 9.554 1.00 0.00 C ATOM 194 NH1 ARG A 13 15.498 -7.189 9.251 1.00 0.00 N ATOM 195 NH2 ARG A 13 13.318 -6.998 9.950 1.00 0.00 N ATOM 0 H ARG A 13 15.350 -1.966 5.675 1.00 0.00 H new ATOM 0 HA ARG A 13 14.951 -4.652 6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.859 -1.961 7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.294 -3.448 8.088 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.186 -2.508 8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.098 -2.361 9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.124 -4.926 8.130 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.469 -4.328 9.740 1.00 0.00 H new ATOM 0 HE ARG A 13 13.743 -4.554 9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.376 -6.756 8.966 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.424 -8.205 9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.518 -6.418 10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.248 -8.014 10.001 1.00 0.00 H new ATOM 209 N LEU A 14 12.516 -3.163 4.870 1.00 0.00 N ATOM 210 CA LEU A 14 11.266 -3.392 4.152 1.00 0.00 C ATOM 211 C LEU A 14 11.472 -4.416 3.042 1.00 0.00 C ATOM 212 O LEU A 14 10.631 -5.290 2.826 1.00 0.00 O ATOM 213 CB LEU A 14 10.740 -2.081 3.563 1.00 0.00 C ATOM 214 CG LEU A 14 10.417 -0.993 4.591 1.00 0.00 C ATOM 215 CD1 LEU A 14 10.016 0.298 3.894 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.313 -1.453 5.533 1.00 0.00 C ATOM 0 H LEU A 14 12.900 -2.225 4.756 1.00 0.00 H new ATOM 0 HA LEU A 14 10.531 -3.780 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.480 -1.691 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.840 -2.294 2.987 1.00 0.00 H new ATOM 0 HG LEU A 14 11.314 -0.804 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.790 1.060 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.836 0.641 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.134 0.120 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.099 -0.665 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.413 -1.673 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.635 -2.351 6.060 1.00 0.00 H new ATOM 228 N LEU A 15 12.605 -4.305 2.357 1.00 0.00 N ATOM 229 CA LEU A 15 12.966 -5.227 1.289 1.00 0.00 C ATOM 230 C LEU A 15 13.243 -6.628 1.826 1.00 0.00 C ATOM 231 O LEU A 15 13.096 -7.617 1.106 1.00 0.00 O ATOM 232 CB LEU A 15 14.190 -4.700 0.535 1.00 0.00 C ATOM 233 CG LEU A 15 13.888 -3.861 -0.708 1.00 0.00 C ATOM 234 CD1 LEU A 15 13.434 -4.758 -1.847 1.00 0.00 C ATOM 235 CD2 LEU A 15 12.829 -2.809 -0.414 1.00 0.00 C ATOM 0 H LEU A 15 13.297 -3.575 2.527 1.00 0.00 H new ATOM 0 HA LEU A 15 12.120 -5.295 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 15 14.787 -4.099 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.805 -5.549 0.238 1.00 0.00 H new ATOM 0 HG LEU A 15 14.803 -3.347 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.222 -4.150 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.221 -5.474 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.533 -5.294 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.634 -2.227 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.910 -3.298 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.183 -2.147 0.376 1.00 0.00 H new ATOM 247 N THR A 16 13.657 -6.712 3.085 1.00 0.00 N ATOM 248 CA THR A 16 13.905 -8.000 3.714 1.00 0.00 C ATOM 249 C THR A 16 12.608 -8.804 3.811 1.00 0.00 C ATOM 250 O THR A 16 12.561 -9.972 3.414 1.00 0.00 O ATOM 251 CB THR A 16 14.536 -7.832 5.111 1.00 0.00 C ATOM 252 OG1 THR A 16 15.780 -7.123 4.997 1.00 0.00 O ATOM 253 CG2 THR A 16 14.784 -9.183 5.767 1.00 0.00 C ATOM 0 H THR A 16 13.827 -5.906 3.687 1.00 0.00 H new ATOM 0 HA THR A 16 14.613 -8.545 3.090 1.00 0.00 H new ATOM 0 HB THR A 16 13.841 -7.268 5.733 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.614 -6.227 4.636 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.229 -9.034 6.751 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.838 -9.715 5.874 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.462 -9.770 5.147 1.00 0.00 H new ATOM 261 N ARG A 17 11.555 -8.163 4.312 1.00 0.00 N ATOM 262 CA ARG A 17 10.239 -8.784 4.390 1.00 0.00 C ATOM 263 C ARG A 17 9.168 -7.741 4.693 1.00 0.00 C ATOM 264 O ARG A 17 9.087 -7.213 5.803 1.00 0.00 O ATOM 265 CB ARG A 17 10.208 -9.908 5.438 1.00 0.00 C ATOM 266 CG ARG A 17 10.743 -9.508 6.807 1.00 0.00 C ATOM 267 CD ARG A 17 10.549 -10.622 7.822 1.00 0.00 C ATOM 268 NE ARG A 17 9.136 -10.872 8.101 1.00 0.00 N ATOM 269 CZ ARG A 17 8.661 -12.026 8.569 1.00 0.00 C ATOM 270 NH1 ARG A 17 9.467 -13.063 8.750 1.00 0.00 N ATOM 271 NH2 ARG A 17 7.372 -12.147 8.851 1.00 0.00 N ATOM 0 H ARG A 17 11.590 -7.209 4.671 1.00 0.00 H new ATOM 0 HA ARG A 17 10.027 -9.229 3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.181 -10.255 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.790 -10.751 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.803 -9.265 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.234 -8.608 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.012 -11.536 7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.060 -10.361 8.749 1.00 0.00 H new ATOM 0 HE ARG A 17 8.473 -10.117 7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.460 -12.982 8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.094 -13.942 9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.743 -11.357 8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.009 -13.030 9.209 1.00 0.00 H new ATOM 285 N GLY A 18 8.357 -7.435 3.695 1.00 0.00 N ATOM 286 CA GLY A 18 7.287 -6.480 3.885 1.00 0.00 C ATOM 287 C GLY A 18 6.839 -5.842 2.590 1.00 0.00 C ATOM 288 O GLY A 18 6.026 -6.407 1.863 1.00 0.00 O ATOM 0 H GLY A 18 8.420 -7.830 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.438 -6.979 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.617 -5.702 4.573 1.00 0.00 H new ATOM 292 N TRP A 19 7.383 -4.671 2.295 1.00 0.00 N ATOM 293 CA TRP A 19 6.974 -3.898 1.127 1.00 0.00 C ATOM 294 C TRP A 19 7.806 -4.244 -0.102 1.00 0.00 C ATOM 295 O TRP A 19 9.031 -4.353 -0.026 1.00 0.00 O ATOM 296 CB TRP A 19 7.109 -2.405 1.424 1.00 0.00 C ATOM 297 CG TRP A 19 6.129 -1.895 2.435 1.00 0.00 C ATOM 298 CD1 TRP A 19 5.221 -2.624 3.149 1.00 0.00 C ATOM 299 CD2 TRP A 19 5.957 -0.535 2.838 1.00 0.00 C ATOM 300 NE1 TRP A 19 4.493 -1.798 3.966 1.00 0.00 N ATOM 301 CE2 TRP A 19 4.926 -0.509 3.793 1.00 0.00 C ATOM 302 CE3 TRP A 19 6.576 0.664 2.480 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.500 0.672 4.393 1.00 0.00 C ATOM 304 CZ3 TRP A 19 6.154 1.835 3.075 1.00 0.00 C ATOM 305 CH2 TRP A 19 5.124 1.831 4.021 1.00 0.00 C ATOM 0 H TRP A 19 8.115 -4.230 2.852 1.00 0.00 H new ATOM 0 HA TRP A 19 5.935 -4.148 0.913 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.120 -2.206 1.780 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.982 -1.847 0.496 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.095 -3.694 3.080 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.750 -2.094 4.599 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.372 0.675 1.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.706 0.673 5.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.626 2.768 2.806 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.814 2.764 4.468 1.00 0.00 H new ATOM 316 N GLN A 20 7.130 -4.432 -1.226 1.00 0.00 N ATOM 317 CA GLN A 20 7.801 -4.621 -2.498 1.00 0.00 C ATOM 318 C GLN A 20 7.832 -3.304 -3.267 1.00 0.00 C ATOM 319 O GLN A 20 6.785 -2.728 -3.558 1.00 0.00 O ATOM 320 CB GLN A 20 7.092 -5.684 -3.340 1.00 0.00 C ATOM 321 CG GLN A 20 7.353 -7.120 -2.898 1.00 0.00 C ATOM 322 CD GLN A 20 6.604 -7.503 -1.637 1.00 0.00 C ATOM 323 OE1 GLN A 20 5.472 -7.982 -1.694 1.00 0.00 O ATOM 324 NE2 GLN A 20 7.236 -7.320 -0.492 1.00 0.00 N ATOM 0 H GLN A 20 6.112 -4.457 -1.280 1.00 0.00 H new ATOM 0 HA GLN A 20 8.819 -4.957 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.019 -5.497 -3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.405 -5.575 -4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.068 -7.798 -3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.422 -7.254 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.174 -6.920 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.786 -7.579 0.386 1.00 0.00 H new ATOM 333 N PRO A 21 9.031 -2.797 -3.583 1.00 0.00 N ATOM 334 CA PRO A 21 9.182 -1.574 -4.369 1.00 0.00 C ATOM 335 C PRO A 21 8.916 -1.824 -5.851 1.00 0.00 C ATOM 336 O PRO A 21 9.703 -2.479 -6.536 1.00 0.00 O ATOM 337 CB PRO A 21 10.637 -1.182 -4.124 1.00 0.00 C ATOM 338 CG PRO A 21 11.339 -2.472 -3.864 1.00 0.00 C ATOM 339 CD PRO A 21 10.332 -3.372 -3.195 1.00 0.00 C ATOM 0 HA PRO A 21 8.475 -0.795 -4.083 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.059 -0.669 -4.988 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.727 -0.504 -3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.699 -2.914 -4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.209 -2.320 -3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.430 -4.403 -3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.459 -3.379 -2.112 1.00 0.00 H new ATOM 347 N VAL A 22 7.794 -1.318 -6.335 1.00 0.00 N ATOM 348 CA VAL A 22 7.382 -1.567 -7.709 1.00 0.00 C ATOM 349 C VAL A 22 7.694 -0.392 -8.623 1.00 0.00 C ATOM 350 O VAL A 22 8.277 0.611 -8.204 1.00 0.00 O ATOM 351 CB VAL A 22 5.879 -1.906 -7.810 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.609 -3.301 -7.260 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.039 -0.858 -7.084 1.00 0.00 C ATOM 0 H VAL A 22 7.152 -0.733 -5.799 1.00 0.00 H new ATOM 0 HA VAL A 22 7.960 -2.430 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 22 5.592 -1.895 -8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.545 -3.524 -7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.177 -4.034 -7.833 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.912 -3.345 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.983 -1.116 -7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.323 -0.829 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.210 0.120 -7.533 1.00 0.00 H new ATOM 363 N GLU A 23 7.281 -0.531 -9.874 1.00 0.00 N ATOM 364 CA GLU A 23 7.586 0.442 -10.915 1.00 0.00 C ATOM 365 C GLU A 23 6.404 0.578 -11.856 1.00 0.00 C ATOM 366 O GLU A 23 5.439 -0.172 -11.756 1.00 0.00 O ATOM 367 CB GLU A 23 8.812 0.014 -11.726 1.00 0.00 C ATOM 368 CG GLU A 23 10.117 0.020 -10.949 1.00 0.00 C ATOM 369 CD GLU A 23 11.282 -0.447 -11.793 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.864 0.384 -12.523 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.613 -1.646 -11.742 1.00 0.00 O ATOM 0 H GLU A 23 6.724 -1.322 -10.197 1.00 0.00 H new ATOM 0 HA GLU A 23 7.795 1.396 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.641 -0.989 -12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.913 0.677 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.316 1.027 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.021 -0.624 -10.075 1.00 0.00 H new ATOM 378 N ALA A 24 6.494 1.519 -12.784 1.00 0.00 N ATOM 379 CA ALA A 24 5.445 1.712 -13.771 1.00 0.00 C ATOM 380 C ALA A 24 5.704 0.859 -15.003 1.00 0.00 C ATOM 381 O ALA A 24 4.775 0.432 -15.681 1.00 0.00 O ATOM 382 CB ALA A 24 5.352 3.176 -14.164 1.00 0.00 C ATOM 0 H ALA A 24 7.282 2.160 -12.873 1.00 0.00 H new ATOM 0 HA ALA A 24 4.498 1.404 -13.327 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.562 3.305 -14.904 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.125 3.776 -13.283 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.302 3.500 -14.588 1.00 0.00 H new ATOM 388 N SER A 25 6.977 0.594 -15.264 1.00 0.00 N ATOM 389 CA SER A 25 7.398 -0.098 -16.474 1.00 0.00 C ATOM 390 C SER A 25 7.039 -1.585 -16.449 1.00 0.00 C ATOM 391 O SER A 25 7.283 -2.305 -17.418 1.00 0.00 O ATOM 392 CB SER A 25 8.903 0.072 -16.638 1.00 0.00 C ATOM 393 OG SER A 25 9.283 1.414 -16.371 1.00 0.00 O ATOM 0 H SER A 25 7.745 0.852 -14.644 1.00 0.00 H new ATOM 0 HA SER A 25 6.868 0.342 -17.319 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.427 -0.602 -15.961 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.198 -0.201 -17.651 1.00 0.00 H new ATOM 0 HG SER A 25 10.253 1.507 -16.479 1.00 0.00 H new ATOM 399 N THR A 26 6.465 -2.046 -15.345 1.00 0.00 N ATOM 400 CA THR A 26 6.094 -3.446 -15.223 1.00 0.00 C ATOM 401 C THR A 26 4.963 -3.637 -14.206 1.00 0.00 C ATOM 402 O THR A 26 4.708 -4.753 -13.750 1.00 0.00 O ATOM 403 CB THR A 26 7.318 -4.306 -14.824 1.00 0.00 C ATOM 404 OG1 THR A 26 6.974 -5.698 -14.819 1.00 0.00 O ATOM 405 CG2 THR A 26 7.852 -3.904 -13.454 1.00 0.00 C ATOM 0 H THR A 26 6.248 -1.475 -14.528 1.00 0.00 H new ATOM 0 HA THR A 26 5.735 -3.776 -16.198 1.00 0.00 H new ATOM 0 HB THR A 26 8.099 -4.132 -15.564 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.082 -5.813 -14.429 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.711 -4.526 -13.202 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.155 -2.857 -13.474 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.072 -4.041 -12.705 1.00 0.00 H new ATOM 413 N VAL A 27 4.262 -2.556 -13.877 1.00 0.00 N ATOM 414 CA VAL A 27 3.202 -2.615 -12.873 1.00 0.00 C ATOM 415 C VAL A 27 2.012 -3.436 -13.378 1.00 0.00 C ATOM 416 O VAL A 27 1.430 -4.229 -12.636 1.00 0.00 O ATOM 417 CB VAL A 27 2.735 -1.200 -12.442 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.227 -0.396 -13.629 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.668 -1.292 -11.360 1.00 0.00 C ATOM 0 H VAL A 27 4.407 -1.633 -14.287 1.00 0.00 H new ATOM 0 HA VAL A 27 3.620 -3.109 -11.996 1.00 0.00 H new ATOM 0 HB VAL A 27 3.599 -0.677 -12.033 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.908 0.590 -13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.025 -0.287 -14.363 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.383 -0.914 -14.085 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.354 -0.289 -11.072 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.810 -1.845 -11.742 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.075 -1.808 -10.491 1.00 0.00 H new ATOM 429 N ASP A 28 1.686 -3.273 -14.655 1.00 0.00 N ATOM 430 CA ASP A 28 0.561 -3.976 -15.261 1.00 0.00 C ATOM 431 C ASP A 28 0.889 -5.448 -15.470 1.00 0.00 C ATOM 432 O ASP A 28 0.004 -6.301 -15.440 1.00 0.00 O ATOM 433 CB ASP A 28 0.149 -3.309 -16.584 1.00 0.00 C ATOM 434 CG ASP A 28 1.313 -3.063 -17.529 1.00 0.00 C ATOM 435 OD1 ASP A 28 2.259 -2.348 -17.133 1.00 0.00 O ATOM 436 OD2 ASP A 28 1.285 -3.563 -18.673 1.00 0.00 O ATOM 0 H ASP A 28 2.188 -2.657 -15.294 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.285 -3.916 -14.576 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.588 -3.938 -17.084 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.338 -2.359 -16.366 1.00 0.00 H new ATOM 441 N ASP A 29 2.170 -5.750 -15.642 1.00 0.00 N ATOM 442 CA ASP A 29 2.605 -7.132 -15.811 1.00 0.00 C ATOM 443 C ASP A 29 2.635 -7.841 -14.459 1.00 0.00 C ATOM 444 O ASP A 29 2.272 -9.014 -14.352 1.00 0.00 O ATOM 445 CB ASP A 29 3.986 -7.198 -16.467 1.00 0.00 C ATOM 446 CG ASP A 29 4.328 -8.599 -16.943 1.00 0.00 C ATOM 447 OD1 ASP A 29 3.859 -8.984 -18.034 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.069 -9.319 -16.242 1.00 0.00 O ATOM 0 H ASP A 29 2.922 -5.062 -15.668 1.00 0.00 H new ATOM 0 HA ASP A 29 1.892 -7.635 -16.465 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.018 -6.511 -17.312 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.741 -6.863 -15.755 1.00 0.00 H new ATOM 453 N TRP A 30 3.051 -7.109 -13.428 1.00 0.00 N ATOM 454 CA TRP A 30 3.116 -7.650 -12.073 1.00 0.00 C ATOM 455 C TRP A 30 1.716 -7.972 -11.560 1.00 0.00 C ATOM 456 O TRP A 30 1.467 -9.074 -11.068 1.00 0.00 O ATOM 457 CB TRP A 30 3.816 -6.658 -11.135 1.00 0.00 C ATOM 458 CG TRP A 30 4.008 -7.179 -9.741 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.876 -8.154 -9.341 1.00 0.00 C ATOM 460 CD2 TRP A 30 3.318 -6.750 -8.559 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.765 -8.362 -7.987 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.818 -7.512 -7.485 1.00 0.00 C ATOM 463 CE3 TRP A 30 2.330 -5.797 -8.305 1.00 0.00 C ATOM 464 CZ2 TRP A 30 3.362 -7.350 -6.180 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.877 -5.639 -7.010 1.00 0.00 C ATOM 466 CH2 TRP A 30 2.394 -6.411 -5.962 1.00 0.00 C ATOM 0 H TRP A 30 3.349 -6.137 -13.506 1.00 0.00 H new ATOM 0 HA TRP A 30 3.696 -8.573 -12.096 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.789 -6.400 -11.554 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.233 -5.738 -11.093 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.552 -8.685 -9.994 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.301 -9.040 -7.445 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.928 -5.195 -9.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.759 -7.944 -5.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.111 -4.907 -6.802 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.019 -6.261 -4.960 1.00 0.00 H new ATOM 477 N ILE A 31 0.804 -7.012 -11.694 1.00 0.00 N ATOM 478 CA ILE A 31 -0.585 -7.208 -11.289 1.00 0.00 C ATOM 479 C ILE A 31 -1.210 -8.363 -12.064 1.00 0.00 C ATOM 480 O ILE A 31 -1.986 -9.145 -11.518 1.00 0.00 O ATOM 481 CB ILE A 31 -1.422 -5.922 -11.495 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.977 -4.843 -10.508 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.914 -6.199 -11.348 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.112 -5.257 -9.058 1.00 0.00 C ATOM 0 H ILE A 31 1.003 -6.089 -12.081 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.586 -7.448 -10.226 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.252 -5.566 -12.511 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.063 -4.585 -10.709 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.567 -3.942 -10.677 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.472 -5.275 -11.499 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.222 -6.935 -12.091 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.116 -6.586 -10.349 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.778 -4.443 -8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.155 -5.487 -8.841 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.500 -6.140 -8.873 1.00 0.00 H new ATOM 496 N LYS A 32 -0.846 -8.477 -13.331 1.00 0.00 N ATOM 497 CA LYS A 32 -1.323 -9.562 -14.172 1.00 0.00 C ATOM 498 C LYS A 32 -0.880 -10.920 -13.616 1.00 0.00 C ATOM 499 O LYS A 32 -1.609 -11.908 -13.713 1.00 0.00 O ATOM 500 CB LYS A 32 -0.823 -9.353 -15.609 1.00 0.00 C ATOM 501 CG LYS A 32 -1.134 -10.492 -16.573 1.00 0.00 C ATOM 502 CD LYS A 32 0.051 -11.435 -16.727 1.00 0.00 C ATOM 503 CE LYS A 32 1.266 -10.714 -17.291 1.00 0.00 C ATOM 504 NZ LYS A 32 2.437 -11.616 -17.428 1.00 0.00 N ATOM 0 H LYS A 32 -0.217 -7.826 -13.802 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.413 -9.558 -14.179 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.263 -8.436 -16.001 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.256 -9.203 -15.584 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.999 -11.049 -16.212 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.403 -10.082 -17.547 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.301 -11.869 -15.759 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.222 -12.260 -17.385 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.017 -10.293 -18.265 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.526 -9.879 -16.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.280 -11.056 -17.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.598 -12.115 -16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.255 -12.309 -18.181 1.00 0.00 H new ATOM 518 N ARG A 33 0.306 -10.961 -13.013 1.00 0.00 N ATOM 519 CA ARG A 33 0.841 -12.212 -12.484 1.00 0.00 C ATOM 520 C ARG A 33 0.249 -12.542 -11.119 1.00 0.00 C ATOM 521 O ARG A 33 -0.169 -13.670 -10.866 1.00 0.00 O ATOM 522 CB ARG A 33 2.356 -12.122 -12.343 1.00 0.00 C ATOM 523 CG ARG A 33 3.023 -13.483 -12.255 1.00 0.00 C ATOM 524 CD ARG A 33 4.511 -13.368 -11.983 1.00 0.00 C ATOM 525 NE ARG A 33 5.160 -14.678 -12.012 1.00 0.00 N ATOM 526 CZ ARG A 33 5.861 -15.193 -11.002 1.00 0.00 C ATOM 527 NH1 ARG A 33 6.040 -14.493 -9.888 1.00 0.00 N ATOM 528 NH2 ARG A 33 6.384 -16.409 -11.105 1.00 0.00 N ATOM 0 H ARG A 33 0.910 -10.150 -12.879 1.00 0.00 H new ATOM 0 HA ARG A 33 0.572 -12.999 -13.188 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.763 -11.578 -13.195 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.599 -11.545 -11.451 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.553 -14.067 -11.463 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.865 -14.025 -13.187 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.969 -12.716 -12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.670 -12.903 -11.010 1.00 0.00 H new ATOM 0 HE ARG A 33 5.070 -15.235 -12.862 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.641 -13.558 -9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.577 -14.890 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.250 -16.951 -11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.920 -16.801 -10.331 1.00 0.00 H new ATOM 542 N VAL A 34 0.217 -11.548 -10.245 1.00 0.00 N ATOM 543 CA VAL A 34 -0.228 -11.759 -8.865 1.00 0.00 C ATOM 544 C VAL A 34 -1.753 -11.755 -8.741 1.00 0.00 C ATOM 545 O VAL A 34 -2.315 -12.455 -7.899 1.00 0.00 O ATOM 546 CB VAL A 34 0.373 -10.714 -7.900 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.888 -10.820 -7.877 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.058 -9.302 -8.267 1.00 0.00 C ATOM 0 H VAL A 34 0.491 -10.589 -10.460 1.00 0.00 H new ATOM 0 HA VAL A 34 0.136 -12.747 -8.582 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.008 -10.927 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.294 -10.076 -7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.178 -11.817 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.280 -10.643 -8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.384 -8.593 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.278 -9.070 -9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.145 -9.229 -8.220 1.00 0.00 H new ATOM 558 N GLY A 35 -2.412 -10.956 -9.566 1.00 0.00 N ATOM 559 CA GLY A 35 -3.862 -10.906 -9.571 1.00 0.00 C ATOM 560 C GLY A 35 -4.397 -9.933 -8.545 1.00 0.00 C ATOM 561 O GLY A 35 -5.169 -9.030 -8.871 1.00 0.00 O ATOM 0 H GLY A 35 -1.964 -10.334 -10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.212 -10.617 -10.562 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.260 -11.901 -9.370 1.00 0.00 H new ATOM 565 N ASP A 36 -3.965 -10.110 -7.311 1.00 0.00 N ATOM 566 CA ASP A 36 -4.445 -9.301 -6.199 1.00 0.00 C ATOM 567 C ASP A 36 -3.282 -8.602 -5.501 1.00 0.00 C ATOM 568 O ASP A 36 -2.296 -9.244 -5.120 1.00 0.00 O ATOM 569 CB ASP A 36 -5.207 -10.173 -5.192 1.00 0.00 C ATOM 570 CG ASP A 36 -6.613 -10.551 -5.648 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.820 -10.807 -6.854 1.00 0.00 O ATOM 572 OD2 ASP A 36 -7.515 -10.624 -4.786 1.00 0.00 O ATOM 0 H ASP A 36 -3.275 -10.814 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.121 -8.545 -6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.637 -11.084 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.273 -9.642 -4.242 1.00 0.00 H new ATOM 577 N GLY A 37 -3.395 -7.292 -5.345 1.00 0.00 N ATOM 578 CA GLY A 37 -2.358 -6.521 -4.688 1.00 0.00 C ATOM 579 C GLY A 37 -2.651 -5.032 -4.712 1.00 0.00 C ATOM 580 O GLY A 37 -3.647 -4.603 -5.291 1.00 0.00 O ATOM 0 H GLY A 37 -4.194 -6.744 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.259 -6.854 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.402 -6.710 -5.177 1.00 0.00 H new ATOM 584 N VAL A 38 -1.792 -4.245 -4.078 1.00 0.00 N ATOM 585 CA VAL A 38 -1.967 -2.795 -4.038 1.00 0.00 C ATOM 586 C VAL A 38 -0.656 -2.076 -4.335 1.00 0.00 C ATOM 587 O VAL A 38 0.414 -2.530 -3.930 1.00 0.00 O ATOM 588 CB VAL A 38 -2.503 -2.313 -2.667 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.946 -2.745 -2.468 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.635 -2.831 -1.527 1.00 0.00 C ATOM 0 H VAL A 38 -0.967 -4.584 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.701 -2.552 -4.806 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.463 -1.224 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.300 -2.395 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.566 -2.318 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.009 -3.833 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.034 -2.478 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.633 -3.921 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.616 -2.466 -1.651 1.00 0.00 H new ATOM 600 N ILE A 39 -0.744 -0.967 -5.061 1.00 0.00 N ATOM 601 CA ILE A 39 0.422 -0.131 -5.339 1.00 0.00 C ATOM 602 C ILE A 39 0.285 1.206 -4.611 1.00 0.00 C ATOM 603 O ILE A 39 -0.680 1.946 -4.821 1.00 0.00 O ATOM 604 CB ILE A 39 0.631 0.135 -6.862 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.121 -1.115 -7.611 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.619 1.271 -7.081 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.083 -2.204 -7.751 1.00 0.00 C ATOM 0 H ILE A 39 -1.613 -0.624 -5.470 1.00 0.00 H new ATOM 0 HA ILE A 39 1.294 -0.678 -4.981 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.343 0.412 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.457 -0.820 -8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.988 -1.520 -7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.749 1.439 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.238 2.180 -6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.579 1.010 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.512 -3.048 -8.291 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.237 -2.531 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.776 -1.820 -8.301 1.00 0.00 H new ATOM 619 N LEU A 40 1.238 1.485 -3.735 1.00 0.00 N ATOM 620 CA LEU A 40 1.284 2.744 -3.008 1.00 0.00 C ATOM 621 C LEU A 40 2.204 3.716 -3.745 1.00 0.00 C ATOM 622 O LEU A 40 3.383 3.428 -3.937 1.00 0.00 O ATOM 623 CB LEU A 40 1.797 2.486 -1.580 1.00 0.00 C ATOM 624 CG LEU A 40 1.495 3.563 -0.526 1.00 0.00 C ATOM 625 CD1 LEU A 40 1.918 3.074 0.847 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.196 4.875 -0.835 1.00 0.00 C ATOM 0 H LEU A 40 2.000 0.846 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 40 0.288 3.182 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.373 1.544 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.878 2.351 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 40 0.421 3.746 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.701 3.842 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.370 2.165 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.987 2.863 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.954 5.607 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.274 4.715 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.863 5.246 -1.805 1.00 0.00 H new ATOM 638 N LEU A 41 1.668 4.852 -4.169 1.00 0.00 N ATOM 639 CA LEU A 41 2.462 5.843 -4.892 1.00 0.00 C ATOM 640 C LEU A 41 3.042 6.894 -3.947 1.00 0.00 C ATOM 641 O LEU A 41 2.363 7.341 -3.020 1.00 0.00 O ATOM 642 CB LEU A 41 1.623 6.540 -5.971 1.00 0.00 C ATOM 643 CG LEU A 41 1.320 5.720 -7.232 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.338 4.599 -6.940 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.781 6.630 -8.327 1.00 0.00 C ATOM 0 H LEU A 41 0.692 5.112 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 41 3.284 5.306 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.676 6.844 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.141 7.451 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 41 2.249 5.264 -7.573 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.145 4.037 -7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.760 3.933 -6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.596 5.021 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.569 6.040 -9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.135 7.110 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.523 7.392 -8.565 1.00 0.00 H new ATOM 657 N SER A 42 4.302 7.271 -4.205 1.00 0.00 N ATOM 658 CA SER A 42 4.989 8.358 -3.495 1.00 0.00 C ATOM 659 C SER A 42 5.526 7.909 -2.132 1.00 0.00 C ATOM 660 O SER A 42 4.906 7.115 -1.430 1.00 0.00 O ATOM 661 CB SER A 42 4.074 9.576 -3.328 1.00 0.00 C ATOM 662 OG SER A 42 3.527 9.983 -4.576 1.00 0.00 O ATOM 0 H SER A 42 4.878 6.826 -4.919 1.00 0.00 H new ATOM 0 HA SER A 42 5.842 8.643 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.267 9.336 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.637 10.400 -2.889 1.00 0.00 H new ATOM 0 HG SER A 42 2.612 9.642 -4.659 1.00 0.00 H new ATOM 863 N VAL A 56 1.536 4.926 6.882 1.00 0.00 N ATOM 864 CA VAL A 56 1.835 3.780 7.736 1.00 0.00 C ATOM 865 C VAL A 56 0.594 2.893 7.877 1.00 0.00 C ATOM 866 O VAL A 56 0.680 1.738 8.292 1.00 0.00 O ATOM 867 CB VAL A 56 2.329 4.232 9.131 1.00 0.00 C ATOM 868 CG1 VAL A 56 2.684 3.039 10.011 1.00 0.00 C ATOM 869 CG2 VAL A 56 3.523 5.159 8.992 1.00 0.00 C ATOM 0 HA VAL A 56 2.635 3.208 7.266 1.00 0.00 H new ATOM 0 HB VAL A 56 1.515 4.772 9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.027 3.393 10.983 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.804 2.410 10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.476 2.459 9.536 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.860 5.469 9.981 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.331 4.637 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.236 6.038 8.414 1.00 0.00 H new ATOM 879 N MET A 57 -0.552 3.437 7.475 1.00 0.00 N ATOM 880 CA MET A 57 -1.836 2.739 7.568 1.00 0.00 C ATOM 881 C MET A 57 -1.796 1.390 6.848 1.00 0.00 C ATOM 882 O MET A 57 -2.418 0.425 7.291 1.00 0.00 O ATOM 883 CB MET A 57 -2.958 3.607 6.977 1.00 0.00 C ATOM 884 CG MET A 57 -3.096 4.979 7.624 1.00 0.00 C ATOM 885 SD MET A 57 -3.460 4.881 9.385 1.00 0.00 S ATOM 886 CE MET A 57 -3.582 6.620 9.805 1.00 0.00 C ATOM 0 H MET A 57 -0.619 4.373 7.076 1.00 0.00 H new ATOM 0 HA MET A 57 -2.035 2.556 8.624 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.776 3.738 5.910 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.904 3.075 7.076 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.173 5.540 7.478 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.889 5.535 7.123 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.805 6.723 10.867 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.637 7.115 9.583 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.379 7.080 9.221 1.00 0.00 H new ATOM 896 N ILE A 58 -1.043 1.321 5.752 1.00 0.00 N ATOM 897 CA ILE A 58 -0.973 0.104 4.948 1.00 0.00 C ATOM 898 C ILE A 58 -0.334 -1.041 5.736 1.00 0.00 C ATOM 899 O ILE A 58 -0.737 -2.196 5.605 1.00 0.00 O ATOM 900 CB ILE A 58 -0.194 0.326 3.621 1.00 0.00 C ATOM 901 CG1 ILE A 58 -0.957 1.266 2.676 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.081 -0.997 2.919 1.00 0.00 C ATOM 903 CD1 ILE A 58 -0.794 2.735 2.994 1.00 0.00 C ATOM 0 H ILE A 58 -0.474 2.092 5.401 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.999 -0.164 4.698 1.00 0.00 H new ATOM 0 HB ILE A 58 0.757 0.791 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.620 1.088 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.017 1.014 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.627 -0.811 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.677 -1.637 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.863 -1.491 2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.365 3.328 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.159 2.932 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.260 3.006 2.930 1.00 0.00 H new ATOM 915 N ALA A 59 0.638 -0.714 6.580 1.00 0.00 N ATOM 916 CA ALA A 59 1.348 -1.727 7.355 1.00 0.00 C ATOM 917 C ALA A 59 0.402 -2.450 8.309 1.00 0.00 C ATOM 918 O ALA A 59 0.478 -3.667 8.476 1.00 0.00 O ATOM 919 CB ALA A 59 2.498 -1.095 8.126 1.00 0.00 C ATOM 0 H ALA A 59 0.953 0.242 6.745 1.00 0.00 H new ATOM 0 HA ALA A 59 1.754 -2.462 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.018 -1.863 8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.194 -0.631 7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.108 -0.337 8.806 1.00 0.00 H new ATOM 925 N GLU A 60 -0.492 -1.692 8.925 1.00 0.00 N ATOM 926 CA GLU A 60 -1.476 -2.257 9.837 1.00 0.00 C ATOM 927 C GLU A 60 -2.574 -2.965 9.046 1.00 0.00 C ATOM 928 O GLU A 60 -3.015 -4.058 9.400 1.00 0.00 O ATOM 929 CB GLU A 60 -2.091 -1.147 10.696 1.00 0.00 C ATOM 930 CG GLU A 60 -2.570 -1.609 12.060 1.00 0.00 C ATOM 931 CD GLU A 60 -1.431 -1.799 13.041 1.00 0.00 C ATOM 932 OE1 GLU A 60 -0.939 -0.787 13.584 1.00 0.00 O ATOM 933 OE2 GLU A 60 -1.021 -2.953 13.273 1.00 0.00 O ATOM 0 H GLU A 60 -0.557 -0.681 8.810 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.982 -2.979 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.353 -0.356 10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.931 -0.710 10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.273 -0.879 12.461 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.113 -2.548 11.952 1.00 0.00 H new ATOM 940 N LEU A 61 -2.982 -2.329 7.956 1.00 0.00 N ATOM 941 CA LEU A 61 -4.082 -2.810 7.125 1.00 0.00 C ATOM 942 C LEU A 61 -3.753 -4.165 6.494 1.00 0.00 C ATOM 943 O LEU A 61 -4.563 -5.091 6.533 1.00 0.00 O ATOM 944 CB LEU A 61 -4.350 -1.782 6.018 1.00 0.00 C ATOM 945 CG LEU A 61 -5.808 -1.622 5.571 1.00 0.00 C ATOM 946 CD1 LEU A 61 -5.913 -0.505 4.542 1.00 0.00 C ATOM 947 CD2 LEU A 61 -6.355 -2.919 4.992 1.00 0.00 C ATOM 0 H LEU A 61 -2.560 -1.463 7.621 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.964 -2.937 7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.989 -0.812 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.754 -2.055 5.147 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.406 -1.367 6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.951 -0.396 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.567 0.430 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.296 -0.748 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.390 -2.772 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.758 -3.212 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.309 -3.703 5.748 1.00 0.00 H new ATOM 959 N LEU A 62 -2.555 -4.269 5.929 1.00 0.00 N ATOM 960 CA LEU A 62 -2.161 -5.440 5.144 1.00 0.00 C ATOM 961 C LEU A 62 -2.135 -6.698 6.011 1.00 0.00 C ATOM 962 O LEU A 62 -2.456 -7.793 5.550 1.00 0.00 O ATOM 963 CB LEU A 62 -0.781 -5.201 4.516 1.00 0.00 C ATOM 964 CG LEU A 62 -0.552 -5.819 3.127 1.00 0.00 C ATOM 965 CD1 LEU A 62 -0.524 -7.337 3.188 1.00 0.00 C ATOM 966 CD2 LEU A 62 -1.622 -5.344 2.156 1.00 0.00 C ATOM 0 H LEU A 62 -1.833 -3.552 5.999 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.897 -5.591 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.619 -4.126 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.023 -5.593 5.195 1.00 0.00 H new ATOM 0 HG LEU A 62 0.423 -5.486 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.360 -7.738 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.283 -7.660 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.475 -7.703 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.448 -5.789 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.604 -5.644 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.582 -4.258 2.073 1.00 0.00 H new ATOM 978 N ARG A 63 -1.767 -6.527 7.272 1.00 0.00 N ATOM 979 CA ARG A 63 -1.647 -7.647 8.194 1.00 0.00 C ATOM 980 C ARG A 63 -3.011 -8.088 8.722 1.00 0.00 C ATOM 981 O ARG A 63 -3.124 -9.115 9.396 1.00 0.00 O ATOM 982 CB ARG A 63 -0.728 -7.263 9.348 1.00 0.00 C ATOM 983 CG ARG A 63 0.737 -7.163 8.951 1.00 0.00 C ATOM 984 CD ARG A 63 1.524 -6.326 9.944 1.00 0.00 C ATOM 985 NE ARG A 63 1.207 -6.676 11.325 1.00 0.00 N ATOM 986 CZ ARG A 63 0.722 -5.806 12.212 1.00 0.00 C ATOM 987 NH1 ARG A 63 0.513 -4.541 11.855 1.00 0.00 N ATOM 988 NH2 ARG A 63 0.437 -6.204 13.446 1.00 0.00 N ATOM 0 H ARG A 63 -1.545 -5.620 7.682 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.218 -8.491 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.052 -6.306 9.756 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.831 -8.000 10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.169 -8.162 8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.817 -6.722 7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.591 -6.465 9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.309 -5.270 9.779 1.00 0.00 H new ATOM 0 HE ARG A 63 1.365 -7.637 11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.724 -4.238 10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.142 -3.875 12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.589 -7.176 13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.066 -5.538 14.124 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.043 -7.314 8.414 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.393 -7.644 8.827 1.00 0.00 C ATOM 1004 C GLU A 64 -6.158 -8.331 7.700 1.00 0.00 C ATOM 1005 O GLU A 64 -6.140 -9.557 7.599 1.00 0.00 O ATOM 1006 CB GLU A 64 -6.141 -6.384 9.266 1.00 0.00 C ATOM 1007 CG GLU A 64 -5.737 -5.872 10.633 1.00 0.00 C ATOM 1008 CD GLU A 64 -5.975 -6.899 11.719 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -7.153 -7.154 12.051 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -4.992 -7.457 12.247 1.00 0.00 O ATOM 0 H GLU A 64 -3.966 -6.450 7.877 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.325 -8.332 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.971 -5.598 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.211 -6.592 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.682 -5.597 10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.299 -4.967 10.861 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.786 -7.503 6.853 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.676 -7.932 5.768 1.00 0.00 C ATOM 1019 C PHE A 65 -8.314 -9.303 6.010 1.00 0.00 C ATOM 1020 O PHE A 65 -7.793 -10.331 5.575 1.00 0.00 O ATOM 1021 CB PHE A 65 -6.947 -7.910 4.426 1.00 0.00 C ATOM 1022 CG PHE A 65 -7.716 -7.173 3.368 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -7.640 -5.794 3.284 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.525 -7.852 2.472 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -8.355 -5.102 2.327 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.242 -7.164 1.510 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.158 -5.787 1.440 1.00 0.00 C ATOM 0 H PHE A 65 -6.685 -6.489 6.906 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.493 -7.211 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.971 -7.442 4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.769 -8.933 4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.013 -5.252 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.597 -8.928 2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.285 -4.026 2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.867 -7.703 0.814 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.720 -5.248 0.692 1.00 0.00 H new ATOM 1037 N PRO A 66 -9.466 -9.329 6.699 1.00 0.00 N ATOM 1038 CA PRO A 66 -10.174 -10.577 7.011 1.00 0.00 C ATOM 1039 C PRO A 66 -10.756 -11.245 5.765 1.00 0.00 C ATOM 1040 O PRO A 66 -11.182 -12.400 5.806 1.00 0.00 O ATOM 1041 CB PRO A 66 -11.298 -10.127 7.951 1.00 0.00 C ATOM 1042 CG PRO A 66 -11.510 -8.687 7.632 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.164 -8.147 7.236 1.00 0.00 C ATOM 0 HA PRO A 66 -9.508 -11.322 7.447 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.207 -10.706 7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.018 -10.263 8.996 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.231 -8.569 6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.907 -8.151 8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.252 -7.358 6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.635 -7.721 8.089 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.764 -10.512 4.657 1.00 0.00 N ATOM 1052 CA GLN A 67 -11.312 -11.020 3.409 1.00 0.00 C ATOM 1053 C GLN A 67 -10.382 -12.054 2.785 1.00 0.00 C ATOM 1054 O GLN A 67 -10.769 -13.206 2.580 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.557 -9.870 2.427 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.627 -8.890 2.886 1.00 0.00 C ATOM 1057 CD GLN A 67 -13.978 -9.553 3.077 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -14.297 -10.033 4.163 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -14.780 -9.579 2.026 1.00 0.00 N ATOM 0 H GLN A 67 -10.396 -9.562 4.600 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.263 -11.505 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.623 -9.329 2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.847 -10.284 1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.316 -8.430 3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.720 -8.088 2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.477 -9.169 1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.702 -10.009 2.099 1.00 0.00 H new ATOM 1068 N PHE A 68 -9.151 -11.645 2.497 1.00 0.00 N ATOM 1069 CA PHE A 68 -8.189 -12.516 1.835 1.00 0.00 C ATOM 1070 C PHE A 68 -6.764 -12.009 2.014 1.00 0.00 C ATOM 1071 O PHE A 68 -6.536 -10.992 2.668 1.00 0.00 O ATOM 1072 CB PHE A 68 -8.515 -12.649 0.341 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.833 -11.347 -0.357 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -7.888 -10.333 -0.462 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -10.081 -11.149 -0.926 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -8.189 -9.151 -1.113 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -10.386 -9.970 -1.575 1.00 0.00 C ATOM 1078 CZ PHE A 68 -9.440 -8.971 -1.670 1.00 0.00 C ATOM 0 H PHE A 68 -8.796 -10.713 2.713 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.262 -13.498 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.668 -13.117 -0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.364 -13.323 0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.908 -10.470 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -10.826 -11.929 -0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.447 -8.370 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.365 -9.830 -2.008 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.677 -8.049 -2.179 1.00 0.00 H new ATOM 1088 N ASP A 69 -5.818 -12.724 1.417 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.410 -12.360 1.480 1.00 0.00 C ATOM 1090 C ASP A 69 -3.930 -11.940 0.098 1.00 0.00 C ATOM 1091 O ASP A 69 -4.321 -12.537 -0.908 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.583 -13.542 1.995 1.00 0.00 C ATOM 1093 CG ASP A 69 -2.096 -13.242 2.058 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -1.647 -12.648 3.060 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -1.365 -13.632 1.120 1.00 0.00 O ATOM 0 H ASP A 69 -6.005 -13.569 0.878 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.285 -11.525 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.935 -13.819 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.747 -14.403 1.347 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.106 -10.905 0.049 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.617 -10.369 -1.211 1.00 0.00 C ATOM 1102 C TRP A 70 -1.261 -9.698 -1.027 1.00 0.00 C ATOM 1103 O TRP A 70 -0.799 -9.520 0.099 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.629 -9.382 -1.808 1.00 0.00 C ATOM 1105 CG TRP A 70 -4.063 -8.262 -0.894 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.737 -8.074 0.422 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.922 -7.173 -1.247 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.341 -6.938 0.902 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -5.071 -6.365 -0.104 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.576 -6.799 -2.423 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.851 -5.212 -0.100 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.349 -5.653 -2.420 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.481 -4.871 -1.266 1.00 0.00 C ATOM 0 H TRP A 70 -2.760 -10.416 0.875 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.494 -11.200 -1.906 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.196 -8.946 -2.708 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.514 -9.939 -2.117 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.097 -8.725 0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.259 -6.580 1.853 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.480 -7.395 -3.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.955 -4.609 0.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.860 -5.356 -3.324 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.092 -3.981 -1.297 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.633 -9.323 -2.134 1.00 0.00 N ATOM 1125 CA GLN A 71 0.692 -8.718 -2.093 1.00 0.00 C ATOM 1126 C GLN A 71 0.607 -7.210 -1.879 1.00 0.00 C ATOM 1127 O GLN A 71 -0.323 -6.555 -2.349 1.00 0.00 O ATOM 1128 CB GLN A 71 1.471 -9.013 -3.383 1.00 0.00 C ATOM 1129 CG GLN A 71 1.968 -10.451 -3.507 1.00 0.00 C ATOM 1130 CD GLN A 71 0.877 -11.449 -3.863 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.098 -11.023 -4.655 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 0.928 -12.607 -3.452 1.00 0.00 N flip ATOM 0 H GLN A 71 -1.020 -9.427 -3.072 1.00 0.00 H new ATOM 0 HA GLN A 71 1.222 -9.160 -1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.833 -8.787 -4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.327 -8.340 -3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.747 -10.492 -4.268 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.427 -10.749 -2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.693 -12.899 -2.844 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.205 -13.275 -3.719 1.00 0.00 H new ATOM 1141 N VAL A 72 1.588 -6.667 -1.171 1.00 0.00 N ATOM 1142 CA VAL A 72 1.647 -5.237 -0.915 1.00 0.00 C ATOM 1143 C VAL A 72 2.859 -4.623 -1.613 1.00 0.00 C ATOM 1144 O VAL A 72 3.979 -5.118 -1.495 1.00 0.00 O ATOM 1145 CB VAL A 72 1.693 -4.930 0.601 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.836 -5.674 1.280 1.00 0.00 C ATOM 1147 CG2 VAL A 72 1.806 -3.432 0.848 1.00 0.00 C ATOM 0 H VAL A 72 2.356 -7.199 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 72 0.737 -4.792 -1.318 1.00 0.00 H new ATOM 0 HB VAL A 72 0.758 -5.280 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.842 -5.438 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.701 -6.747 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.783 -5.369 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.837 -3.241 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.719 -3.055 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.944 -2.926 0.414 1.00 0.00 H new ATOM 1157 N ALA A 73 2.627 -3.554 -2.355 1.00 0.00 N ATOM 1158 CA ALA A 73 3.688 -2.912 -3.105 1.00 0.00 C ATOM 1159 C ALA A 73 3.666 -1.405 -2.909 1.00 0.00 C ATOM 1160 O ALA A 73 2.601 -0.787 -2.833 1.00 0.00 O ATOM 1161 CB ALA A 73 3.560 -3.253 -4.578 1.00 0.00 C ATOM 0 H ALA A 73 1.712 -3.113 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 73 4.642 -3.284 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.361 -2.767 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.631 -4.333 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.596 -2.905 -4.950 1.00 0.00 H new ATOM 1167 N VAL A 74 4.848 -0.820 -2.820 1.00 0.00 N ATOM 1168 CA VAL A 74 4.987 0.618 -2.641 1.00 0.00 C ATOM 1169 C VAL A 74 6.003 1.154 -3.644 1.00 0.00 C ATOM 1170 O VAL A 74 6.825 0.394 -4.162 1.00 0.00 O ATOM 1171 CB VAL A 74 5.427 0.978 -1.197 1.00 0.00 C ATOM 1172 CG1 VAL A 74 4.473 0.369 -0.185 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.858 0.519 -0.936 1.00 0.00 C ATOM 0 H VAL A 74 5.734 -1.323 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 74 4.014 1.079 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 74 5.396 2.062 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.796 0.631 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.468 0.754 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.470 -0.715 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.144 0.782 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.922 -0.562 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.531 1.008 -1.640 1.00 0.00 H new ATOM 1183 N ALA A 75 5.947 2.441 -3.933 1.00 0.00 N ATOM 1184 CA ALA A 75 6.847 3.029 -4.905 1.00 0.00 C ATOM 1185 C ALA A 75 7.324 4.400 -4.462 1.00 0.00 C ATOM 1186 O ALA A 75 6.578 5.164 -3.848 1.00 0.00 O ATOM 1187 CB ALA A 75 6.171 3.118 -6.262 1.00 0.00 C ATOM 0 H ALA A 75 5.290 3.096 -3.510 1.00 0.00 H new ATOM 0 HA ALA A 75 7.721 2.382 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.858 3.562 -6.982 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.891 2.119 -6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.278 3.738 -6.184 1.00 0.00 H new ATOM 1193 N ASP A 76 8.574 4.696 -4.785 1.00 0.00 N ATOM 1194 CA ASP A 76 9.182 5.978 -4.452 1.00 0.00 C ATOM 1195 C ASP A 76 8.530 7.115 -5.240 1.00 0.00 C ATOM 1196 O ASP A 76 7.848 6.881 -6.240 1.00 0.00 O ATOM 1197 CB ASP A 76 10.692 5.925 -4.729 1.00 0.00 C ATOM 1198 CG ASP A 76 11.372 7.262 -4.524 1.00 0.00 C ATOM 1199 OD1 ASP A 76 11.636 7.625 -3.365 1.00 0.00 O ATOM 1200 OD2 ASP A 76 11.623 7.959 -5.526 1.00 0.00 O ATOM 0 H ASP A 76 9.194 4.058 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 76 9.022 6.174 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.151 5.184 -4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.858 5.591 -5.753 1.00 0.00 H new ATOM 1205 N LEU A 77 8.749 8.344 -4.785 1.00 0.00 N ATOM 1206 CA LEU A 77 8.158 9.525 -5.402 1.00 0.00 C ATOM 1207 C LEU A 77 8.594 9.665 -6.861 1.00 0.00 C ATOM 1208 O LEU A 77 7.799 10.067 -7.712 1.00 0.00 O ATOM 1209 CB LEU A 77 8.538 10.776 -4.593 1.00 0.00 C ATOM 1210 CG LEU A 77 7.939 12.100 -5.083 1.00 0.00 C ATOM 1211 CD1 LEU A 77 7.635 13.006 -3.903 1.00 0.00 C ATOM 1212 CD2 LEU A 77 8.891 12.804 -6.043 1.00 0.00 C ATOM 0 H LEU A 77 9.340 8.549 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 77 7.074 9.415 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.232 10.622 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.624 10.869 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 77 7.013 11.878 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.210 13.943 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.921 12.515 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.555 13.212 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.444 13.740 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.832 13.012 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.078 12.164 -6.905 1.00 0.00 H new ATOM 1224 N GLU A 78 9.843 9.316 -7.151 1.00 0.00 N ATOM 1225 CA GLU A 78 10.366 9.399 -8.512 1.00 0.00 C ATOM 1226 C GLU A 78 9.584 8.469 -9.442 1.00 0.00 C ATOM 1227 O GLU A 78 9.300 8.806 -10.592 1.00 0.00 O ATOM 1228 CB GLU A 78 11.852 9.038 -8.525 1.00 0.00 C ATOM 1229 CG GLU A 78 12.514 9.160 -9.889 1.00 0.00 C ATOM 1230 CD GLU A 78 13.968 8.734 -9.873 1.00 0.00 C ATOM 1231 OE1 GLU A 78 14.235 7.521 -10.011 1.00 0.00 O ATOM 1232 OE2 GLU A 78 14.845 9.607 -9.717 1.00 0.00 O ATOM 0 H GLU A 78 10.513 8.973 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 78 10.250 10.422 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.377 9.683 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.968 8.015 -8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.969 8.550 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.446 10.193 -10.230 1.00 0.00 H new ATOM 1239 N GLN A 79 9.232 7.298 -8.925 1.00 0.00 N ATOM 1240 CA GLN A 79 8.475 6.311 -9.688 1.00 0.00 C ATOM 1241 C GLN A 79 7.001 6.704 -9.787 1.00 0.00 C ATOM 1242 O GLN A 79 6.335 6.401 -10.778 1.00 0.00 O ATOM 1243 CB GLN A 79 8.599 4.931 -9.037 1.00 0.00 C ATOM 1244 CG GLN A 79 10.015 4.376 -9.045 1.00 0.00 C ATOM 1245 CD GLN A 79 10.547 4.141 -10.447 1.00 0.00 C ATOM 1246 OE1 GLN A 79 9.656 3.817 -11.373 1.00 0.00 O flip ATOM 1247 NE2 GLN A 79 11.746 4.244 -10.696 1.00 0.00 N flip ATOM 0 H GLN A 79 9.460 7.007 -7.974 1.00 0.00 H new ATOM 0 HA GLN A 79 8.890 6.275 -10.695 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.248 4.992 -8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.942 4.234 -9.557 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.675 5.069 -8.522 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.035 3.437 -8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.401 4.495 -9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.086 4.078 -11.643 1.00 0.00 H new ATOM 1256 N SER A 80 6.519 7.385 -8.754 1.00 0.00 N ATOM 1257 CA SER A 80 5.105 7.739 -8.617 1.00 0.00 C ATOM 1258 C SER A 80 4.565 8.451 -9.859 1.00 0.00 C ATOM 1259 O SER A 80 3.489 8.112 -10.362 1.00 0.00 O ATOM 1260 CB SER A 80 4.928 8.629 -7.382 1.00 0.00 C ATOM 1261 OG SER A 80 3.565 8.914 -7.132 1.00 0.00 O ATOM 0 H SER A 80 7.099 7.711 -7.981 1.00 0.00 H new ATOM 0 HA SER A 80 4.535 6.817 -8.503 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.362 8.135 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.474 9.561 -7.524 1.00 0.00 H new ATOM 0 HG SER A 80 3.486 9.440 -6.309 1.00 0.00 H new ATOM 1267 N GLU A 81 5.325 9.422 -10.355 1.00 0.00 N ATOM 1268 CA GLU A 81 4.907 10.221 -11.501 1.00 0.00 C ATOM 1269 C GLU A 81 4.626 9.336 -12.717 1.00 0.00 C ATOM 1270 O GLU A 81 3.592 9.477 -13.375 1.00 0.00 O ATOM 1271 CB GLU A 81 5.984 11.252 -11.840 1.00 0.00 C ATOM 1272 CG GLU A 81 5.577 12.221 -12.933 1.00 0.00 C ATOM 1273 CD GLU A 81 6.700 13.160 -13.309 1.00 0.00 C ATOM 1274 OE1 GLU A 81 7.515 12.790 -14.182 1.00 0.00 O ATOM 1275 OE2 GLU A 81 6.778 14.269 -12.735 1.00 0.00 O ATOM 0 H GLU A 81 6.239 9.675 -9.979 1.00 0.00 H new ATOM 0 HA GLU A 81 3.984 10.738 -11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.231 11.816 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.890 10.730 -12.148 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.263 11.661 -13.814 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.716 12.801 -12.600 1.00 0.00 H new ATOM 1282 N ALA A 82 5.540 8.413 -12.991 1.00 0.00 N ATOM 1283 CA ALA A 82 5.410 7.518 -14.136 1.00 0.00 C ATOM 1284 C ALA A 82 4.266 6.527 -13.934 1.00 0.00 C ATOM 1285 O ALA A 82 3.561 6.182 -14.883 1.00 0.00 O ATOM 1286 CB ALA A 82 6.720 6.782 -14.385 1.00 0.00 C ATOM 0 H ALA A 82 6.382 8.264 -12.435 1.00 0.00 H new ATOM 0 HA ALA A 82 5.177 8.122 -15.013 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.607 6.118 -15.242 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.511 7.505 -14.587 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.981 6.196 -13.504 1.00 0.00 H new ATOM 1292 N ILE A 83 4.079 6.081 -12.696 1.00 0.00 N ATOM 1293 CA ILE A 83 3.014 5.136 -12.374 1.00 0.00 C ATOM 1294 C ILE A 83 1.647 5.781 -12.586 1.00 0.00 C ATOM 1295 O ILE A 83 0.721 5.152 -13.105 1.00 0.00 O ATOM 1296 CB ILE A 83 3.130 4.619 -10.923 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.454 3.876 -10.732 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.957 3.710 -10.581 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.657 3.338 -9.334 1.00 0.00 C ATOM 0 H ILE A 83 4.651 6.359 -11.898 1.00 0.00 H new ATOM 0 HA ILE A 83 3.119 4.284 -13.046 1.00 0.00 H new ATOM 0 HB ILE A 83 3.107 5.475 -10.248 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.501 3.048 -11.440 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.276 4.550 -10.975 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.058 3.357 -9.555 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.025 4.265 -10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.948 2.857 -11.259 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.617 2.825 -9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.644 4.163 -8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.857 2.638 -9.094 1.00 0.00 H new ATOM 1311 N GLY A 84 1.543 7.048 -12.207 1.00 0.00 N ATOM 1312 CA GLY A 84 0.318 7.794 -12.420 1.00 0.00 C ATOM 1313 C GLY A 84 -0.030 7.918 -13.891 1.00 0.00 C ATOM 1314 O GLY A 84 -1.194 8.034 -14.257 1.00 0.00 O ATOM 0 H GLY A 84 2.289 7.575 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.501 7.302 -11.895 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.421 8.789 -11.988 1.00 0.00 H new ATOM 1318 N ASP A 85 0.984 7.892 -14.739 1.00 0.00 N ATOM 1319 CA ASP A 85 0.781 7.995 -16.179 1.00 0.00 C ATOM 1320 C ASP A 85 0.306 6.666 -16.739 1.00 0.00 C ATOM 1321 O ASP A 85 -0.539 6.616 -17.634 1.00 0.00 O ATOM 1322 CB ASP A 85 2.082 8.397 -16.868 1.00 0.00 C ATOM 1323 CG ASP A 85 1.881 8.706 -18.337 1.00 0.00 C ATOM 1324 OD1 ASP A 85 1.554 9.869 -18.663 1.00 0.00 O ATOM 1325 OD2 ASP A 85 2.051 7.796 -19.175 1.00 0.00 O ATOM 0 H ASP A 85 1.960 7.800 -14.457 1.00 0.00 H new ATOM 0 HA ASP A 85 0.024 8.756 -16.366 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.500 9.271 -16.369 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.810 7.592 -16.764 1.00 0.00 H new ATOM 1330 N ARG A 86 0.852 5.600 -16.174 1.00 0.00 N ATOM 1331 CA ARG A 86 0.636 4.237 -16.654 1.00 0.00 C ATOM 1332 C ARG A 86 -0.848 3.905 -16.802 1.00 0.00 C ATOM 1333 O ARG A 86 -1.270 3.386 -17.834 1.00 0.00 O ATOM 1334 CB ARG A 86 1.297 3.243 -15.697 1.00 0.00 C ATOM 1335 CG ARG A 86 1.389 1.828 -16.246 1.00 0.00 C ATOM 1336 CD ARG A 86 2.286 1.765 -17.473 1.00 0.00 C ATOM 1337 NE ARG A 86 2.538 0.394 -17.907 1.00 0.00 N ATOM 1338 CZ ARG A 86 3.281 0.075 -18.961 1.00 0.00 C ATOM 1339 NH1 ARG A 86 3.858 1.027 -19.683 1.00 0.00 N ATOM 1340 NH2 ARG A 86 3.452 -1.200 -19.284 1.00 0.00 N ATOM 0 H ARG A 86 1.465 5.654 -15.360 1.00 0.00 H new ATOM 0 HA ARG A 86 1.088 4.161 -17.643 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.300 3.596 -15.458 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.735 3.224 -14.763 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.777 1.162 -15.475 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.392 1.471 -16.504 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.823 2.322 -18.288 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.235 2.254 -17.252 1.00 0.00 H new ATOM 0 HE ARG A 86 2.119 -0.364 -17.369 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.732 2.007 -19.429 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.428 0.779 -20.492 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.014 -1.931 -18.724 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.022 -1.449 -20.093 1.00 0.00 H new ATOM 1354 N PHE A 87 -1.641 4.202 -15.782 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.064 3.865 -15.819 1.00 0.00 C ATOM 1356 C PHE A 87 -3.935 5.045 -15.408 1.00 0.00 C ATOM 1357 O PHE A 87 -5.086 4.869 -15.001 1.00 0.00 O ATOM 1358 CB PHE A 87 -3.358 2.637 -14.952 1.00 0.00 C ATOM 1359 CG PHE A 87 -2.557 2.569 -13.685 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -2.848 3.397 -12.616 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -1.513 1.666 -13.562 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.115 3.326 -11.450 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -0.776 1.594 -12.397 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.079 2.425 -11.339 1.00 0.00 C ATOM 0 H PHE A 87 -1.333 4.669 -14.929 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.315 3.621 -16.851 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.418 2.631 -14.698 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.166 1.738 -15.538 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.658 4.107 -12.695 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.273 1.011 -14.387 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.354 3.978 -10.623 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.037 0.888 -12.314 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.505 2.370 -10.426 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.364 6.238 -15.523 1.00 0.00 N ATOM 1375 CA ASN A 88 -4.103 7.496 -15.370 1.00 0.00 C ATOM 1376 C ASN A 88 -4.498 7.753 -13.916 1.00 0.00 C ATOM 1377 O ASN A 88 -5.622 7.481 -13.500 1.00 0.00 O ATOM 1378 CB ASN A 88 -5.347 7.512 -16.273 1.00 0.00 C ATOM 1379 CG ASN A 88 -6.071 8.844 -16.254 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -5.456 9.901 -16.131 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -7.387 8.798 -16.383 1.00 0.00 N ATOM 0 H ASN A 88 -2.373 6.366 -15.726 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.435 8.300 -15.678 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.051 7.280 -17.296 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.032 6.727 -15.953 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.930 9.661 -16.383 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.859 7.899 -16.483 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.551 8.258 -13.144 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.812 8.672 -11.775 1.00 0.00 C ATOM 1390 C VAL A 89 -3.692 10.186 -11.659 1.00 0.00 C ATOM 1391 O VAL A 89 -2.591 10.740 -11.659 1.00 0.00 O ATOM 1392 CB VAL A 89 -2.844 8.013 -10.764 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -3.142 8.475 -9.341 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -2.920 6.501 -10.856 1.00 0.00 C ATOM 0 H VAL A 89 -2.586 8.392 -13.445 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.824 8.348 -11.532 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.831 8.325 -11.018 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.447 7.997 -8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.029 9.557 -9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.163 8.201 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.231 6.058 -10.137 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.936 6.174 -10.635 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.647 6.184 -11.862 1.00 0.00 H new ATOM 1404 N ARG A 90 -4.829 10.851 -11.614 1.00 0.00 N ATOM 1405 CA ARG A 90 -4.871 12.290 -11.417 1.00 0.00 C ATOM 1406 C ARG A 90 -5.449 12.587 -10.039 1.00 0.00 C ATOM 1407 O ARG A 90 -5.781 11.661 -9.298 1.00 0.00 O ATOM 1408 CB ARG A 90 -5.709 12.973 -12.506 1.00 0.00 C ATOM 1409 CG ARG A 90 -4.922 13.438 -13.731 1.00 0.00 C ATOM 1410 CD ARG A 90 -4.346 12.285 -14.549 1.00 0.00 C ATOM 1411 NE ARG A 90 -2.990 11.915 -14.144 1.00 0.00 N ATOM 1412 CZ ARG A 90 -1.970 11.783 -14.998 1.00 0.00 C ATOM 1413 NH1 ARG A 90 -2.157 11.966 -16.302 1.00 0.00 N ATOM 1414 NH2 ARG A 90 -0.765 11.451 -14.553 1.00 0.00 N ATOM 0 H ARG A 90 -5.746 10.414 -11.712 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.858 12.686 -11.484 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.485 12.281 -12.833 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.213 13.835 -12.068 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.574 14.037 -14.368 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.108 14.087 -13.407 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.998 11.417 -14.451 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.341 12.562 -15.603 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.813 11.748 -13.153 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.083 12.208 -16.655 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.375 11.864 -16.949 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.614 11.296 -13.556 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.011 11.351 -15.208 1.00 0.00 H new ATOM 1428 N ARG A 91 -5.558 13.870 -9.705 1.00 0.00 N ATOM 1429 CA ARG A 91 -6.101 14.298 -8.415 1.00 0.00 C ATOM 1430 C ARG A 91 -5.189 13.843 -7.268 1.00 0.00 C ATOM 1431 O ARG A 91 -5.649 13.605 -6.152 1.00 0.00 O ATOM 1432 CB ARG A 91 -7.530 13.757 -8.233 1.00 0.00 C ATOM 1433 CG ARG A 91 -8.306 14.424 -7.108 1.00 0.00 C ATOM 1434 CD ARG A 91 -8.522 15.901 -7.387 1.00 0.00 C ATOM 1435 NE ARG A 91 -9.201 16.573 -6.282 1.00 0.00 N ATOM 1436 CZ ARG A 91 -10.045 17.591 -6.436 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -10.351 18.037 -7.648 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -10.591 18.157 -5.369 1.00 0.00 N ATOM 0 H ARG A 91 -5.276 14.638 -10.314 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.144 15.387 -8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.078 13.888 -9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.480 12.685 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.270 13.930 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.765 14.304 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.560 16.381 -7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.110 16.016 -8.297 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.017 16.242 -5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.938 17.599 -8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.999 18.818 -7.756 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.364 17.812 -4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.238 18.937 -5.481 1.00 0.00 H new ATOM 1452 N PHE A 92 -3.884 13.769 -7.569 1.00 0.00 N ATOM 1453 CA PHE A 92 -2.847 13.366 -6.608 1.00 0.00 C ATOM 1454 C PHE A 92 -2.822 11.848 -6.405 1.00 0.00 C ATOM 1455 O PHE A 92 -3.841 11.172 -6.542 1.00 0.00 O ATOM 1456 CB PHE A 92 -3.000 14.094 -5.263 1.00 0.00 C ATOM 1457 CG PHE A 92 -2.627 15.550 -5.322 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -1.307 15.945 -5.171 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -3.592 16.524 -5.536 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -0.956 17.281 -5.230 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -3.247 17.859 -5.596 1.00 0.00 C ATOM 1462 CZ PHE A 92 -1.929 18.239 -5.443 1.00 0.00 C ATOM 0 H PHE A 92 -3.516 13.989 -8.494 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.890 13.661 -7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.033 14.005 -4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.378 13.598 -4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.543 15.200 -5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.625 16.234 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.076 17.575 -5.110 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.009 18.606 -5.763 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.658 19.284 -5.490 1.00 0.00 H new ATOM 1472 N PRO A 93 -1.633 11.296 -6.105 1.00 0.00 N ATOM 1473 CA PRO A 93 -1.435 9.850 -5.948 1.00 0.00 C ATOM 1474 C PRO A 93 -2.090 9.280 -4.688 1.00 0.00 C ATOM 1475 O PRO A 93 -2.466 10.017 -3.775 1.00 0.00 O ATOM 1476 CB PRO A 93 0.094 9.697 -5.864 1.00 0.00 C ATOM 1477 CG PRO A 93 0.653 11.016 -6.282 1.00 0.00 C ATOM 1478 CD PRO A 93 -0.381 12.033 -5.910 1.00 0.00 C ATOM 0 HA PRO A 93 -1.895 9.302 -6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.407 9.442 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.444 8.898 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.599 11.217 -5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.852 11.035 -7.353 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.265 12.372 -4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.327 12.918 -6.545 1.00 0.00 H new ATOM 1486 N ALA A 94 -2.195 7.953 -4.643 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.835 7.251 -3.539 1.00 0.00 C ATOM 1488 C ALA A 94 -2.436 5.781 -3.573 1.00 0.00 C ATOM 1489 O ALA A 94 -1.444 5.420 -4.210 1.00 0.00 O ATOM 1490 CB ALA A 94 -4.349 7.400 -3.630 1.00 0.00 C ATOM 0 H ALA A 94 -1.838 7.337 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.506 7.684 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.817 6.871 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.614 8.456 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.700 6.979 -4.572 1.00 0.00 H new ATOM 1496 N THR A 95 -3.196 4.938 -2.896 1.00 0.00 N ATOM 1497 CA THR A 95 -2.954 3.508 -2.929 1.00 0.00 C ATOM 1498 C THR A 95 -4.075 2.840 -3.707 1.00 0.00 C ATOM 1499 O THR A 95 -5.229 2.890 -3.297 1.00 0.00 O ATOM 1500 CB THR A 95 -2.890 2.918 -1.508 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.973 3.676 -0.709 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.451 1.462 -1.541 1.00 0.00 C ATOM 0 H THR A 95 -3.986 5.220 -2.316 1.00 0.00 H new ATOM 0 HA THR A 95 -1.993 3.327 -3.411 1.00 0.00 H new ATOM 0 HB THR A 95 -3.888 2.969 -1.073 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.815 3.210 0.138 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.414 1.070 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.162 0.881 -2.129 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.462 1.390 -1.994 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.744 2.239 -4.833 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.760 1.661 -5.695 1.00 0.00 C ATOM 1512 C LEU A 96 -4.959 0.183 -5.396 1.00 0.00 C ATOM 1513 O LEU A 96 -4.007 -0.536 -5.092 1.00 0.00 O ATOM 1514 CB LEU A 96 -4.413 1.875 -7.168 1.00 0.00 C ATOM 1515 CG LEU A 96 -4.491 3.324 -7.652 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -3.229 4.095 -7.296 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.748 3.373 -9.146 1.00 0.00 C ATOM 0 H LEU A 96 -2.787 2.138 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.700 2.173 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.403 1.504 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.086 1.269 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.326 3.803 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.316 5.121 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.098 4.098 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.368 3.619 -7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.800 4.412 -9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.937 2.868 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.691 2.875 -9.369 1.00 0.00 H new ATOM 1529 N VAL A 97 -6.209 -0.250 -5.485 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.591 -1.612 -5.145 1.00 0.00 C ATOM 1531 C VAL A 97 -6.776 -2.452 -6.405 1.00 0.00 C ATOM 1532 O VAL A 97 -7.664 -2.188 -7.222 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.899 -1.629 -4.321 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.298 -3.051 -3.955 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.751 -0.773 -3.072 1.00 0.00 C ATOM 0 H VAL A 97 -6.986 0.334 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.788 -2.039 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.693 -1.208 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.221 -3.032 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.452 -3.631 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.507 -3.510 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.681 -0.796 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.940 -1.163 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.526 0.254 -3.359 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.928 -3.456 -6.557 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.984 -4.345 -7.706 1.00 0.00 C ATOM 1547 C PHE A 98 -6.383 -5.745 -7.261 1.00 0.00 C ATOM 1548 O PHE A 98 -5.636 -6.411 -6.551 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.622 -4.405 -8.408 1.00 0.00 C ATOM 1550 CG PHE A 98 -4.139 -3.087 -8.949 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.614 -2.122 -8.103 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.206 -2.817 -10.305 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -3.168 -0.911 -8.601 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.760 -1.610 -10.809 1.00 0.00 C ATOM 1555 CZ PHE A 98 -3.242 -0.656 -9.958 1.00 0.00 C ATOM 0 H PHE A 98 -5.186 -3.677 -5.893 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.726 -3.957 -8.404 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.882 -4.788 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.682 -5.120 -9.229 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.553 -2.318 -7.043 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.612 -3.559 -10.977 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.763 -0.167 -7.932 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.817 -1.414 -11.869 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.895 0.288 -10.351 1.00 0.00 H new ATOM 1565 N THR A 99 -7.561 -6.178 -7.660 1.00 0.00 N ATOM 1566 CA THR A 99 -8.011 -7.527 -7.368 1.00 0.00 C ATOM 1567 C THR A 99 -8.578 -8.138 -8.633 1.00 0.00 C ATOM 1568 O THR A 99 -9.017 -7.409 -9.527 1.00 0.00 O ATOM 1569 CB THR A 99 -9.088 -7.563 -6.258 1.00 0.00 C ATOM 1570 OG1 THR A 99 -10.210 -6.757 -6.632 1.00 0.00 O ATOM 1571 CG2 THR A 99 -8.535 -7.070 -4.929 1.00 0.00 C ATOM 0 H THR A 99 -8.227 -5.615 -8.189 1.00 0.00 H new ATOM 0 HA THR A 99 -7.153 -8.094 -7.008 1.00 0.00 H new ATOM 0 HB THR A 99 -9.402 -8.600 -6.138 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.886 -6.788 -5.923 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.318 -7.109 -4.172 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.703 -7.705 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.187 -6.043 -5.038 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.536 -9.463 -8.727 1.00 0.00 N ATOM 1580 CA ASP A 100 -9.089 -10.174 -9.877 1.00 0.00 C ATOM 1581 C ASP A 100 -8.279 -9.879 -11.130 1.00 0.00 C ATOM 1582 O ASP A 100 -8.744 -10.104 -12.253 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.547 -9.773 -10.124 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.453 -10.034 -8.940 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -11.722 -11.216 -8.641 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -11.919 -9.050 -8.323 1.00 0.00 O ATOM 0 H ASP A 100 -8.123 -10.069 -8.018 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.043 -11.240 -9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.587 -8.713 -10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.925 -10.320 -10.988 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.073 -9.361 -10.930 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.232 -8.968 -12.039 1.00 0.00 C ATOM 1593 C GLY A 101 -6.676 -7.655 -12.649 1.00 0.00 C ATOM 1594 O GLY A 101 -6.165 -7.244 -13.690 1.00 0.00 O ATOM 0 H GLY A 101 -6.662 -9.206 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.200 -8.879 -11.698 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.250 -9.747 -12.802 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.635 -6.994 -12.008 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.175 -5.749 -12.528 1.00 0.00 C ATOM 1600 C LYS A 102 -8.095 -4.640 -11.485 1.00 0.00 C ATOM 1601 O LYS A 102 -8.034 -4.902 -10.284 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.630 -5.949 -12.957 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.846 -7.191 -13.808 1.00 0.00 C ATOM 1604 CD LYS A 102 -11.283 -7.317 -14.275 1.00 0.00 C ATOM 1605 CE LYS A 102 -11.543 -8.691 -14.869 1.00 0.00 C ATOM 1606 NZ LYS A 102 -11.566 -9.753 -13.825 1.00 0.00 N ATOM 0 H LYS A 102 -8.052 -7.302 -11.129 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.578 -5.454 -13.391 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.257 -6.014 -12.068 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.959 -5.073 -13.516 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.185 -7.156 -14.674 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.573 -8.076 -13.234 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.958 -7.145 -13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.496 -6.549 -15.018 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.495 -8.683 -15.399 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.771 -8.921 -15.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.974 -10.623 -14.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.596 -9.943 -13.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.144 -9.436 -13.020 1.00 0.00 H new ATOM 1620 N LEU A 103 -8.094 -3.398 -11.947 1.00 0.00 N ATOM 1621 CA LEU A 103 -8.112 -2.256 -11.046 1.00 0.00 C ATOM 1622 C LEU A 103 -9.535 -2.011 -10.560 1.00 0.00 C ATOM 1623 O LEU A 103 -10.409 -1.625 -11.335 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.556 -1.012 -11.750 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.494 0.256 -10.893 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.652 0.030 -9.648 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.944 1.419 -11.708 1.00 0.00 C ATOM 0 H LEU A 103 -8.081 -3.156 -12.938 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.478 -2.468 -10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.552 -1.237 -12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.169 -0.807 -12.627 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.507 0.502 -10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.624 0.945 -9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.089 -0.773 -9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.638 -0.245 -9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.906 2.313 -11.086 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.940 1.176 -12.057 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.592 1.601 -12.565 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.769 -2.263 -9.282 1.00 0.00 N ATOM 1640 CA ARG A 104 -11.101 -2.123 -8.710 1.00 0.00 C ATOM 1641 C ARG A 104 -11.339 -0.699 -8.217 1.00 0.00 C ATOM 1642 O ARG A 104 -12.471 -0.216 -8.215 1.00 0.00 O ATOM 1643 CB ARG A 104 -11.297 -3.120 -7.566 1.00 0.00 C ATOM 1644 CG ARG A 104 -12.112 -4.355 -7.941 1.00 0.00 C ATOM 1645 CD ARG A 104 -11.560 -5.066 -9.171 1.00 0.00 C ATOM 1646 NE ARG A 104 -12.166 -6.386 -9.359 1.00 0.00 N ATOM 1647 CZ ARG A 104 -12.986 -6.714 -10.359 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -13.315 -5.829 -11.294 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -13.480 -7.938 -10.423 1.00 0.00 N ATOM 0 H ARG A 104 -9.055 -2.566 -8.620 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.829 -2.337 -9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.319 -3.440 -7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.790 -2.612 -6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.124 -5.048 -7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -13.145 -4.062 -8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.741 -4.455 -10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.480 -5.173 -9.073 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.945 -7.109 -8.674 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.939 -4.882 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.943 -6.097 -12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.234 -8.625 -9.711 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.108 -8.196 -11.185 1.00 0.00 H new ATOM 1663 N GLY A 105 -10.270 -0.030 -7.805 1.00 0.00 N ATOM 1664 CA GLY A 105 -10.389 1.333 -7.323 1.00 0.00 C ATOM 1665 C GLY A 105 -9.141 1.795 -6.600 1.00 0.00 C ATOM 1666 O GLY A 105 -8.063 1.237 -6.797 1.00 0.00 O ATOM 0 H GLY A 105 -9.322 -0.407 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.587 1.998 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.244 1.406 -6.651 1.00 0.00 H new ATOM 1670 N ALA A 106 -9.289 2.807 -5.763 1.00 0.00 N ATOM 1671 CA ALA A 106 -8.174 3.345 -5.003 1.00 0.00 C ATOM 1672 C ALA A 106 -8.612 3.648 -3.580 1.00 0.00 C ATOM 1673 O ALA A 106 -9.804 3.816 -3.317 1.00 0.00 O ATOM 1674 CB ALA A 106 -7.630 4.596 -5.675 1.00 0.00 C ATOM 0 H ALA A 106 -10.178 3.276 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.378 2.602 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.795 4.987 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.288 4.350 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.416 5.349 -5.733 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.659 3.718 -2.666 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.964 3.980 -1.275 1.00 0.00 C ATOM 1682 C LEU A 107 -7.655 5.434 -0.959 1.00 0.00 C ATOM 1683 O LEU A 107 -6.524 5.782 -0.618 1.00 0.00 O ATOM 1684 CB LEU A 107 -7.159 3.047 -0.364 1.00 0.00 C ATOM 1685 CG LEU A 107 -7.871 2.589 0.917 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -8.207 3.768 1.821 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -9.131 1.805 0.572 1.00 0.00 C ATOM 0 H LEU A 107 -6.666 3.596 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.023 3.792 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.878 2.163 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.235 3.552 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.189 1.937 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.710 3.407 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.289 4.284 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.863 4.458 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.625 1.487 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.807 2.438 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.864 0.929 -0.018 1.00 0.00 H new ATOM 1699 N SER A 108 -8.655 6.279 -1.116 1.00 0.00 N ATOM 1700 CA SER A 108 -8.505 7.692 -0.838 1.00 0.00 C ATOM 1701 C SER A 108 -9.497 8.118 0.235 1.00 0.00 C ATOM 1702 O SER A 108 -10.652 8.426 -0.060 1.00 0.00 O ATOM 1703 CB SER A 108 -8.716 8.504 -2.117 1.00 0.00 C ATOM 1704 OG SER A 108 -7.884 8.029 -3.165 1.00 0.00 O ATOM 0 H SER A 108 -9.585 6.008 -1.437 1.00 0.00 H new ATOM 0 HA SER A 108 -7.495 7.879 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.761 8.444 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.500 9.555 -1.924 1.00 0.00 H new ATOM 0 HG SER A 108 -8.038 8.563 -3.972 1.00 0.00 H new ATOM 1710 N GLY A 109 -9.051 8.098 1.483 1.00 0.00 N ATOM 1711 CA GLY A 109 -9.920 8.453 2.585 1.00 0.00 C ATOM 1712 C GLY A 109 -9.264 9.432 3.531 1.00 0.00 C ATOM 1713 O GLY A 109 -8.042 9.583 3.524 1.00 0.00 O ATOM 0 H GLY A 109 -8.101 7.842 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.841 8.887 2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.199 7.552 3.132 1.00 0.00 H new ATOM 1717 N ILE A 110 -10.067 10.090 4.352 1.00 0.00 N ATOM 1718 CA ILE A 110 -9.556 11.102 5.264 1.00 0.00 C ATOM 1719 C ILE A 110 -9.809 10.697 6.724 1.00 0.00 C ATOM 1720 O ILE A 110 -9.274 11.298 7.657 1.00 0.00 O ATOM 1721 CB ILE A 110 -10.190 12.485 4.957 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -9.505 13.594 5.766 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -11.687 12.466 5.237 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -9.980 14.992 5.417 1.00 0.00 C ATOM 0 H ILE A 110 -11.075 9.942 4.406 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.479 11.181 5.117 1.00 0.00 H new ATOM 0 HB ILE A 110 -10.041 12.695 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.679 13.416 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.429 13.536 5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.111 13.445 5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.165 11.713 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.858 12.226 6.286 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.450 15.720 6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.781 15.191 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -11.051 15.070 5.605 1.00 0.00 H new ATOM 1736 N HIS A 111 -10.618 9.663 6.919 1.00 0.00 N ATOM 1737 CA HIS A 111 -10.894 9.158 8.262 1.00 0.00 C ATOM 1738 C HIS A 111 -10.049 7.925 8.551 1.00 0.00 C ATOM 1739 O HIS A 111 -9.991 7.003 7.737 1.00 0.00 O ATOM 1740 CB HIS A 111 -12.379 8.822 8.437 1.00 0.00 C ATOM 1741 CG HIS A 111 -13.268 10.024 8.536 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -13.682 10.554 9.738 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -13.821 10.799 7.575 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -14.449 11.604 9.513 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -14.549 11.773 8.208 1.00 0.00 N ATOM 0 H HIS A 111 -11.093 9.159 6.170 1.00 0.00 H new ATOM 0 HA HIS A 111 -10.635 9.945 8.970 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -12.704 8.211 7.595 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -12.501 8.218 9.336 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -13.710 10.674 6.508 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -14.915 12.220 10.268 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -15.082 12.509 7.745 1.00 0.00 H new ATOM 1754 N PRO A 112 -9.380 7.895 9.713 1.00 0.00 N ATOM 1755 CA PRO A 112 -8.526 6.770 10.109 1.00 0.00 C ATOM 1756 C PRO A 112 -9.292 5.449 10.183 1.00 0.00 C ATOM 1757 O PRO A 112 -10.122 5.253 11.073 1.00 0.00 O ATOM 1758 CB PRO A 112 -8.013 7.174 11.498 1.00 0.00 C ATOM 1759 CG PRO A 112 -8.170 8.655 11.544 1.00 0.00 C ATOM 1760 CD PRO A 112 -9.395 8.957 10.734 1.00 0.00 C ATOM 0 HA PRO A 112 -7.731 6.594 9.384 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -8.587 6.690 12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -6.972 6.882 11.636 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -8.283 9.005 12.570 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -7.294 9.155 11.131 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -10.300 8.922 11.341 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -9.349 9.950 10.286 1.00 0.00 H new ATOM 1768 N TRP A 113 -9.032 4.583 9.204 1.00 0.00 N ATOM 1769 CA TRP A 113 -9.594 3.226 9.139 1.00 0.00 C ATOM 1770 C TRP A 113 -11.076 3.222 8.744 1.00 0.00 C ATOM 1771 O TRP A 113 -11.508 2.364 7.975 1.00 0.00 O ATOM 1772 CB TRP A 113 -9.391 2.466 10.459 1.00 0.00 C ATOM 1773 CG TRP A 113 -9.728 1.008 10.342 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -10.956 0.433 10.495 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -8.822 -0.056 10.033 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -10.870 -0.923 10.293 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.570 -1.247 10.009 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.449 -0.118 9.771 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -8.993 -2.484 9.736 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -6.878 -1.346 9.500 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.648 -2.514 9.483 1.00 0.00 C ATOM 0 H TRP A 113 -8.417 4.803 8.421 1.00 0.00 H new ATOM 0 HA TRP A 113 -9.044 2.708 8.353 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -8.354 2.571 10.779 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.011 2.918 11.233 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.863 0.966 10.739 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.647 -1.581 10.346 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.847 0.778 9.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.585 -3.387 9.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.819 -1.406 9.298 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.172 -3.459 9.266 1.00 0.00 H new ATOM 1792 N ALA A 114 -11.839 4.189 9.251 1.00 0.00 N ATOM 1793 CA ALA A 114 -13.287 4.245 9.034 1.00 0.00 C ATOM 1794 C ALA A 114 -13.657 4.187 7.551 1.00 0.00 C ATOM 1795 O ALA A 114 -14.706 3.656 7.185 1.00 0.00 O ATOM 1796 CB ALA A 114 -13.859 5.504 9.670 1.00 0.00 C ATOM 0 H ALA A 114 -11.475 4.953 9.821 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.721 3.364 9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.936 5.538 9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.657 5.495 10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.395 6.382 9.221 1.00 0.00 H new ATOM 1802 N GLU A 115 -12.785 4.716 6.700 1.00 0.00 N ATOM 1803 CA GLU A 115 -13.036 4.752 5.260 1.00 0.00 C ATOM 1804 C GLU A 115 -13.142 3.338 4.687 1.00 0.00 C ATOM 1805 O GLU A 115 -13.870 3.100 3.722 1.00 0.00 O ATOM 1806 CB GLU A 115 -11.910 5.503 4.550 1.00 0.00 C ATOM 1807 CG GLU A 115 -11.579 6.847 5.174 1.00 0.00 C ATOM 1808 CD GLU A 115 -12.698 7.863 5.063 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -13.740 7.686 5.722 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -12.521 8.867 4.342 1.00 0.00 O ATOM 0 H GLU A 115 -11.895 5.127 6.981 1.00 0.00 H new ATOM 0 HA GLU A 115 -13.982 5.268 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.014 4.882 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.189 5.656 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -11.338 6.699 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.686 7.250 4.696 1.00 0.00 H new ATOM 1817 N LEU A 116 -12.421 2.403 5.300 1.00 0.00 N ATOM 1818 CA LEU A 116 -12.394 1.016 4.840 1.00 0.00 C ATOM 1819 C LEU A 116 -13.767 0.371 4.951 1.00 0.00 C ATOM 1820 O LEU A 116 -14.133 -0.465 4.128 1.00 0.00 O ATOM 1821 CB LEU A 116 -11.376 0.206 5.646 1.00 0.00 C ATOM 1822 CG LEU A 116 -9.912 0.482 5.312 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -9.009 -0.144 6.360 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -9.577 -0.065 3.933 1.00 0.00 C ATOM 0 H LEU A 116 -11.844 2.582 6.122 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.100 1.021 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.534 0.406 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.574 -0.854 5.489 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.749 1.560 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.967 0.059 6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.238 0.280 7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.172 -1.221 6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.530 0.138 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.750 -1.141 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.210 0.416 3.187 1.00 0.00 H new ATOM 1836 N LEU A 117 -14.531 0.777 5.955 1.00 0.00 N ATOM 1837 CA LEU A 117 -15.840 0.192 6.199 1.00 0.00 C ATOM 1838 C LEU A 117 -16.751 0.387 4.993 1.00 0.00 C ATOM 1839 O LEU A 117 -17.520 -0.502 4.637 1.00 0.00 O ATOM 1840 CB LEU A 117 -16.476 0.803 7.450 1.00 0.00 C ATOM 1841 CG LEU A 117 -16.843 -0.202 8.549 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -17.856 -1.218 8.036 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -15.595 -0.908 9.071 1.00 0.00 C ATOM 0 H LEU A 117 -14.266 1.509 6.614 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.710 -0.878 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -15.788 1.538 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -17.377 1.341 7.155 1.00 0.00 H new ATOM 0 HG LEU A 117 -17.298 0.348 9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -18.102 -1.921 8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -18.761 -0.701 7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -17.431 -1.761 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -15.877 -1.617 9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -15.110 -1.441 8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.906 -0.171 9.483 1.00 0.00 H new ATOM 1855 N THR A 118 -16.652 1.548 4.361 1.00 0.00 N ATOM 1856 CA THR A 118 -17.443 1.834 3.177 1.00 0.00 C ATOM 1857 C THR A 118 -16.730 1.372 1.902 1.00 0.00 C ATOM 1858 O THR A 118 -17.306 0.651 1.084 1.00 0.00 O ATOM 1859 CB THR A 118 -17.743 3.342 3.063 1.00 0.00 C ATOM 1860 OG1 THR A 118 -18.177 3.857 4.328 1.00 0.00 O ATOM 1861 CG2 THR A 118 -18.813 3.611 2.016 1.00 0.00 C ATOM 0 H THR A 118 -16.032 2.305 4.649 1.00 0.00 H new ATOM 0 HA THR A 118 -18.378 1.284 3.281 1.00 0.00 H new ATOM 0 HB THR A 118 -16.824 3.842 2.759 1.00 0.00 H new ATOM 0 HG1 THR A 118 -18.363 4.816 4.245 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.004 4.683 1.958 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.472 3.250 1.046 1.00 0.00 H new ATOM 0 HG23 THR A 118 -19.731 3.094 2.293 1.00 0.00 H new ATOM 1869 N LEU A 119 -15.471 1.777 1.747 1.00 0.00 N ATOM 1870 CA LEU A 119 -14.732 1.531 0.511 1.00 0.00 C ATOM 1871 C LEU A 119 -14.509 0.042 0.268 1.00 0.00 C ATOM 1872 O LEU A 119 -14.817 -0.466 -0.809 1.00 0.00 O ATOM 1873 CB LEU A 119 -13.387 2.265 0.536 1.00 0.00 C ATOM 1874 CG LEU A 119 -13.476 3.791 0.613 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -12.085 4.402 0.655 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -14.266 4.341 -0.568 1.00 0.00 C ATOM 0 H LEU A 119 -14.942 2.277 2.462 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.337 1.915 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -12.813 1.907 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -12.828 1.995 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 119 -13.999 4.060 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -12.166 5.488 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.552 4.033 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.538 4.124 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.319 5.427 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -13.771 4.062 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.274 3.927 -0.556 1.00 0.00 H new ATOM 1888 N MET A 120 -14.008 -0.664 1.276 1.00 0.00 N ATOM 1889 CA MET A 120 -13.725 -2.089 1.133 1.00 0.00 C ATOM 1890 C MET A 120 -15.017 -2.866 0.932 1.00 0.00 C ATOM 1891 O MET A 120 -15.054 -3.852 0.197 1.00 0.00 O ATOM 1892 CB MET A 120 -12.971 -2.623 2.355 1.00 0.00 C ATOM 1893 CG MET A 120 -12.663 -4.114 2.283 1.00 0.00 C ATOM 1894 SD MET A 120 -11.823 -4.728 3.759 1.00 0.00 S ATOM 1895 CE MET A 120 -13.040 -4.360 5.024 1.00 0.00 C ATOM 0 H MET A 120 -13.791 -0.277 2.194 1.00 0.00 H new ATOM 0 HA MET A 120 -13.092 -2.223 0.256 1.00 0.00 H new ATOM 0 HB2 MET A 120 -12.036 -2.073 2.463 1.00 0.00 H new ATOM 0 HB3 MET A 120 -13.562 -2.426 3.250 1.00 0.00 H new ATOM 0 HG2 MET A 120 -13.593 -4.666 2.144 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.042 -4.310 1.409 1.00 0.00 H new ATOM 0 HE1 MET A 120 -12.880 -5.012 5.883 1.00 0.00 H new ATOM 0 HE2 MET A 120 -12.939 -3.320 5.334 1.00 0.00 H new ATOM 0 HE3 MET A 120 -14.041 -4.524 4.625 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.080 -2.389 1.571 1.00 0.00 N ATOM 1906 CA ARG A 121 -17.394 -3.002 1.449 1.00 0.00 C ATOM 1907 C ARG A 121 -17.839 -3.014 -0.010 1.00 0.00 C ATOM 1908 O ARG A 121 -18.392 -3.998 -0.497 1.00 0.00 O ATOM 1909 CB ARG A 121 -18.413 -2.236 2.294 1.00 0.00 C ATOM 1910 CG ARG A 121 -19.730 -2.969 2.453 1.00 0.00 C ATOM 1911 CD ARG A 121 -20.700 -2.197 3.327 1.00 0.00 C ATOM 1912 NE ARG A 121 -21.969 -2.905 3.483 1.00 0.00 N ATOM 1913 CZ ARG A 121 -22.976 -2.470 4.236 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -22.868 -1.330 4.910 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -24.091 -3.183 4.326 1.00 0.00 N ATOM 0 H ARG A 121 -16.054 -1.573 2.183 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.332 -4.029 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -17.989 -2.047 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -18.598 -1.265 1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -20.176 -3.133 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -19.549 -3.951 2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.253 -2.031 4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.882 -1.216 2.889 1.00 0.00 H new ATOM 0 HE ARG A 121 -22.090 -3.786 2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.009 -0.783 4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.644 -1.002 5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.176 -4.064 3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.864 -2.851 4.903 1.00 0.00 H new ATOM 1929 N SER A 122 -17.578 -1.912 -0.699 1.00 0.00 N ATOM 1930 CA SER A 122 -17.956 -1.772 -2.093 1.00 0.00 C ATOM 1931 C SER A 122 -17.022 -2.576 -2.998 1.00 0.00 C ATOM 1932 O SER A 122 -17.475 -3.241 -3.933 1.00 0.00 O ATOM 1933 CB SER A 122 -17.943 -0.291 -2.492 1.00 0.00 C ATOM 1934 OG SER A 122 -18.439 -0.104 -3.807 1.00 0.00 O ATOM 0 H SER A 122 -17.102 -1.098 -0.309 1.00 0.00 H new ATOM 0 HA SER A 122 -18.965 -2.166 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.548 0.282 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 122 -16.926 0.096 -2.427 1.00 0.00 H new ATOM 0 HG SER A 122 -18.420 0.850 -4.031 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.724 -2.511 -2.720 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.724 -3.192 -3.539 1.00 0.00 C ATOM 1942 C ILE A 123 -14.931 -4.707 -3.523 1.00 0.00 C ATOM 1943 O ILE A 123 -14.971 -5.348 -4.575 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.291 -2.861 -3.063 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.020 -1.358 -3.200 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.263 -3.663 -3.854 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -11.676 -0.924 -2.657 1.00 0.00 C ATOM 0 H ILE A 123 -15.338 -1.992 -1.931 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.848 -2.831 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.204 -3.137 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -13.081 -1.082 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -13.805 -0.809 -2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.261 -3.416 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.445 -4.728 -3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.348 -3.419 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.560 0.151 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.617 -1.166 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.882 -1.444 -3.193 1.00 0.00 H new ATOM 1959 N VAL A 124 -15.079 -5.275 -2.332 1.00 0.00 N ATOM 1960 CA VAL A 124 -15.281 -6.710 -2.197 1.00 0.00 C ATOM 1961 C VAL A 124 -16.598 -7.002 -1.481 1.00 0.00 C ATOM 1962 O VAL A 124 -16.631 -7.422 -0.326 1.00 0.00 O ATOM 1963 CB VAL A 124 -14.093 -7.407 -1.485 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.884 -7.449 -2.404 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -13.733 -6.700 -0.185 1.00 0.00 C ATOM 0 H VAL A 124 -15.063 -4.764 -1.449 1.00 0.00 H new ATOM 0 HA VAL A 124 -15.332 -7.126 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 124 -14.399 -8.425 -1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -12.056 -7.941 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -13.134 -8.004 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.594 -6.433 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.897 -7.214 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.452 -5.669 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.593 -6.711 0.485 1.00 0.00 H new ATOM 1975 N ASP A 125 -17.687 -6.737 -2.185 1.00 0.00 N ATOM 1976 CA ASP A 125 -19.030 -6.954 -1.654 1.00 0.00 C ATOM 1977 C ASP A 125 -19.374 -8.438 -1.586 1.00 0.00 C ATOM 1978 O ASP A 125 -19.729 -8.958 -0.527 1.00 0.00 O ATOM 1979 CB ASP A 125 -20.062 -6.214 -2.509 1.00 0.00 C ATOM 1980 CG ASP A 125 -21.492 -6.508 -2.094 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -21.863 -6.185 -0.946 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -22.251 -7.067 -2.913 1.00 0.00 O ATOM 0 H ASP A 125 -17.669 -6.367 -3.136 1.00 0.00 H new ATOM 0 HA ASP A 125 -19.053 -6.559 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -19.882 -5.141 -2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -19.928 -6.493 -3.554 1.00 0.00 H new