USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 599 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 40 THR OG1 : rot -25:sc= 0.383 USER MOD Set 1.2: A 122 HIS : no HD1:sc= -4.4! C(o=-4!,f=-3.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 101:sc= -2.05 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc=0.000708 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 CYS SG : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.753 K(o=-0.75,f=-0.12) USER MOD Single : A 160 LYS NZ :NH3+ -162:sc= 0.365 (180deg=0.258) USER MOD Single : A 164 SER OG : rot -44:sc= 0.511 USER MOD Single : A 167 SER OG : rot -20:sc= 0.331 USER MOD Single : A 173 GLN : amide:sc= -0.658 K(o=-0.66,f=0.092) USER MOD Single : A 175 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 89 N PRO A 7 11.508 -9.967 2.641 1.00 0.00 N ATOM 90 CA PRO A 7 11.383 -9.131 1.441 1.00 0.00 C ATOM 91 C PRO A 7 11.514 -7.644 1.755 1.00 0.00 C ATOM 92 O PRO A 7 11.348 -7.225 2.900 1.00 0.00 O ATOM 93 CB PRO A 7 9.976 -9.446 0.926 1.00 0.00 C ATOM 94 CG PRO A 7 9.231 -9.926 2.123 1.00 0.00 C ATOM 95 CD PRO A 7 10.240 -10.639 2.979 1.00 0.00 C ATOM 0 HA PRO A 7 12.171 -9.341 0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.505 -8.562 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.002 -10.206 0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.781 -9.093 2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.420 -10.595 1.836 1.00 0.00 H new ATOM 0 HD2 PRO A 7 10.006 -10.545 4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.277 -11.705 2.754 1.00 0.00 H new ATOM 103 N ARG A 8 11.812 -6.853 0.729 1.00 0.00 N ATOM 104 CA ARG A 8 11.964 -5.411 0.896 1.00 0.00 C ATOM 105 C ARG A 8 10.819 -4.665 0.218 1.00 0.00 C ATOM 106 O ARG A 8 10.327 -5.085 -0.829 1.00 0.00 O ATOM 107 CB ARG A 8 13.302 -4.949 0.316 1.00 0.00 C ATOM 108 CG ARG A 8 13.511 -5.355 -1.132 1.00 0.00 C ATOM 109 CD ARG A 8 14.882 -4.935 -1.637 1.00 0.00 C ATOM 110 NE ARG A 8 15.879 -5.988 -1.455 1.00 0.00 N ATOM 111 CZ ARG A 8 17.192 -5.778 -1.472 1.00 0.00 C ATOM 112 NH1 ARG A 8 17.672 -4.555 -1.663 1.00 0.00 N ATOM 113 NH2 ARG A 8 18.029 -6.791 -1.299 1.00 0.00 N ATOM 0 H ARG A 8 11.953 -7.185 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 8 11.941 -5.187 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.366 -3.864 0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.111 -5.360 0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.403 -6.435 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.739 -4.901 -1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.816 -4.677 -2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.203 -4.037 -1.110 1.00 0.00 H new ATOM 0 HE ARG A 8 15.548 -6.941 -1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.033 -3.772 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.680 -4.399 -1.675 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.666 -7.733 -1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.036 -6.629 -1.312 1.00 0.00 H new ATOM 127 N THR A 9 10.401 -3.558 0.822 1.00 0.00 N ATOM 128 CA THR A 9 9.313 -2.757 0.275 1.00 0.00 C ATOM 129 C THR A 9 9.675 -1.275 0.270 1.00 0.00 C ATOM 130 O THR A 9 10.614 -0.852 0.942 1.00 0.00 O ATOM 131 CB THR A 9 8.031 -2.977 1.079 1.00 0.00 C ATOM 132 OG1 THR A 9 8.105 -2.318 2.330 1.00 0.00 O ATOM 133 CG2 THR A 9 7.736 -4.438 1.347 1.00 0.00 C ATOM 0 H THR A 9 10.798 -3.196 1.689 1.00 0.00 H new ATOM 0 HA THR A 9 9.146 -3.076 -0.754 1.00 0.00 H new ATOM 0 HB THR A 9 7.230 -2.568 0.463 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.275 -2.469 2.829 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.814 -4.524 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.624 -4.966 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.558 -4.877 1.913 1.00 0.00 H new ATOM 141 N GLY A 10 8.919 -0.491 -0.493 1.00 0.00 N ATOM 142 CA GLY A 10 9.171 0.935 -0.573 1.00 0.00 C ATOM 143 C GLY A 10 7.951 1.711 -1.028 1.00 0.00 C ATOM 144 O GLY A 10 7.450 1.501 -2.132 1.00 0.00 O ATOM 0 H GLY A 10 8.136 -0.819 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.488 1.301 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.994 1.118 -1.264 1.00 0.00 H new ATOM 148 N LEU A 11 7.471 2.609 -0.173 1.00 0.00 N ATOM 149 CA LEU A 11 6.300 3.419 -0.494 1.00 0.00 C ATOM 150 C LEU A 11 6.541 4.251 -1.750 1.00 0.00 C ATOM 151 O LEU A 11 7.084 5.354 -1.682 1.00 0.00 O ATOM 152 CB LEU A 11 5.949 4.335 0.678 1.00 0.00 C ATOM 153 CG LEU A 11 5.072 3.696 1.759 1.00 0.00 C ATOM 154 CD1 LEU A 11 4.958 4.616 2.965 1.00 0.00 C ATOM 155 CD2 LEU A 11 3.694 3.371 1.202 1.00 0.00 C ATOM 0 H LEU A 11 7.874 2.794 0.746 1.00 0.00 H new ATOM 0 HA LEU A 11 5.464 2.745 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.874 4.680 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.438 5.216 0.290 1.00 0.00 H new ATOM 0 HG LEU A 11 5.541 2.766 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.331 4.146 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.950 4.800 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.511 5.562 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.084 2.918 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.217 4.287 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.793 2.675 0.369 1.00 0.00 H new ATOM 167 N LEU A 12 6.135 3.714 -2.896 1.00 0.00 N ATOM 168 CA LEU A 12 6.306 4.405 -4.168 1.00 0.00 C ATOM 169 C LEU A 12 5.033 5.154 -4.553 1.00 0.00 C ATOM 170 O LEU A 12 3.986 4.981 -3.928 1.00 0.00 O ATOM 171 CB LEU A 12 6.684 3.409 -5.268 1.00 0.00 C ATOM 172 CG LEU A 12 8.102 3.569 -5.824 1.00 0.00 C ATOM 173 CD1 LEU A 12 9.027 2.510 -5.244 1.00 0.00 C ATOM 174 CD2 LEU A 12 8.093 3.495 -7.343 1.00 0.00 C ATOM 0 H LEU A 12 5.685 2.802 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 12 7.112 5.130 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.575 2.398 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.974 3.510 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 12 8.476 4.550 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.030 2.640 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.060 2.610 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.655 1.519 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.110 3.611 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.697 2.529 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.466 4.292 -7.742 1.00 0.00 H new ATOM 186 N GLU A 13 5.131 5.985 -5.584 1.00 0.00 N ATOM 187 CA GLU A 13 3.987 6.760 -6.052 1.00 0.00 C ATOM 188 C GLU A 13 3.518 6.270 -7.418 1.00 0.00 C ATOM 189 O GLU A 13 4.320 5.828 -8.241 1.00 0.00 O ATOM 190 CB GLU A 13 4.348 8.245 -6.126 1.00 0.00 C ATOM 191 CG GLU A 13 4.353 8.937 -4.773 1.00 0.00 C ATOM 192 CD GLU A 13 4.941 10.333 -4.836 1.00 0.00 C ATOM 193 OE1 GLU A 13 4.225 11.260 -5.271 1.00 0.00 O ATOM 194 OE2 GLU A 13 6.116 10.501 -4.449 1.00 0.00 O ATOM 0 H GLU A 13 5.990 6.140 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 13 3.173 6.625 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.333 8.349 -6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.639 8.751 -6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.333 8.993 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.924 8.337 -4.064 1.00 0.00 H new ATOM 201 N LEU A 14 2.213 6.353 -7.653 1.00 0.00 N ATOM 202 CA LEU A 14 1.633 5.922 -8.918 1.00 0.00 C ATOM 203 C LEU A 14 0.813 7.045 -9.547 1.00 0.00 C ATOM 204 O LEU A 14 0.147 7.803 -8.844 1.00 0.00 O ATOM 205 CB LEU A 14 0.755 4.687 -8.707 1.00 0.00 C ATOM 206 CG LEU A 14 0.282 4.000 -9.989 1.00 0.00 C ATOM 207 CD1 LEU A 14 1.399 3.159 -10.586 1.00 0.00 C ATOM 208 CD2 LEU A 14 -0.944 3.143 -9.711 1.00 0.00 C ATOM 0 H LEU A 14 1.536 6.716 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 14 2.447 5.666 -9.596 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.310 3.964 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.120 4.977 -8.125 1.00 0.00 H new ATOM 0 HG LEU A 14 0.008 4.768 -10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.045 2.678 -11.497 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.250 3.798 -10.821 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.704 2.397 -9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.268 2.661 -10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.696 2.382 -8.972 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.748 3.772 -9.328 1.00 0.00 H new ATOM 220 N ARG A 15 0.868 7.145 -10.871 1.00 0.00 N ATOM 221 CA ARG A 15 0.133 8.178 -11.596 1.00 0.00 C ATOM 222 C ARG A 15 -1.369 7.914 -11.536 1.00 0.00 C ATOM 223 O ARG A 15 -1.803 6.853 -11.088 1.00 0.00 O ATOM 224 CB ARG A 15 0.589 8.216 -13.057 1.00 0.00 C ATOM 225 CG ARG A 15 0.230 9.504 -13.780 1.00 0.00 C ATOM 226 CD ARG A 15 1.152 9.756 -14.962 1.00 0.00 C ATOM 227 NE ARG A 15 0.408 9.956 -16.205 1.00 0.00 N ATOM 228 CZ ARG A 15 0.938 10.474 -17.311 1.00 0.00 C ATOM 229 NH1 ARG A 15 2.213 10.844 -17.335 1.00 0.00 N ATOM 230 NH2 ARG A 15 0.191 10.621 -18.397 1.00 0.00 N ATOM 0 H ARG A 15 1.415 6.522 -11.466 1.00 0.00 H new ATOM 0 HA ARG A 15 0.339 9.139 -11.126 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.670 8.079 -13.094 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.143 7.376 -13.589 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.802 9.452 -14.127 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.291 10.341 -13.085 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.766 10.634 -14.762 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.831 8.912 -15.078 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.574 9.683 -16.226 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.792 10.732 -16.503 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.613 11.240 -18.185 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.789 10.337 -18.384 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.596 11.018 -19.245 1.00 0.00 H new ATOM 360 N TRP A 27 -1.189 11.674 -8.840 1.00 0.00 N ATOM 361 CA TRP A 27 -0.199 10.640 -8.552 1.00 0.00 C ATOM 362 C TRP A 27 -0.371 10.101 -7.134 1.00 0.00 C ATOM 363 O TRP A 27 0.200 10.637 -6.182 1.00 0.00 O ATOM 364 CB TRP A 27 1.212 11.201 -8.727 1.00 0.00 C ATOM 365 CG TRP A 27 1.778 10.980 -10.097 1.00 0.00 C ATOM 366 CD1 TRP A 27 1.584 11.758 -11.200 1.00 0.00 C ATOM 367 CD2 TRP A 27 2.631 9.910 -10.509 1.00 0.00 C ATOM 368 NE1 TRP A 27 2.280 11.247 -12.269 1.00 0.00 N ATOM 369 CE2 TRP A 27 2.929 10.109 -11.869 1.00 0.00 C ATOM 370 CE3 TRP A 27 3.175 8.807 -9.855 1.00 0.00 C ATOM 371 CZ2 TRP A 27 3.750 9.242 -12.587 1.00 0.00 C ATOM 372 CZ3 TRP A 27 3.988 7.944 -10.565 1.00 0.00 C ATOM 373 CH2 TRP A 27 4.270 8.166 -11.920 1.00 0.00 C ATOM 0 HA TRP A 27 -0.350 9.819 -9.253 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.198 12.270 -8.517 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.871 10.740 -7.992 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.972 12.647 -11.229 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.309 11.649 -13.206 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.965 8.629 -8.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.968 9.413 -13.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.413 7.085 -10.068 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.910 7.475 -12.448 1.00 0.00 H new ATOM 384 N GLN A 28 -1.161 9.042 -6.999 1.00 0.00 N ATOM 385 CA GLN A 28 -1.412 8.433 -5.697 1.00 0.00 C ATOM 386 C GLN A 28 -0.140 7.813 -5.125 1.00 0.00 C ATOM 387 O GLN A 28 0.917 7.848 -5.756 1.00 0.00 O ATOM 388 CB GLN A 28 -2.505 7.367 -5.810 1.00 0.00 C ATOM 389 CG GLN A 28 -3.433 7.317 -4.609 1.00 0.00 C ATOM 390 CD GLN A 28 -4.802 6.763 -4.951 1.00 0.00 C ATOM 391 OE1 GLN A 28 -5.221 5.738 -4.413 1.00 0.00 O ATOM 392 NE2 GLN A 28 -5.506 7.439 -5.852 1.00 0.00 N ATOM 0 H GLN A 28 -1.640 8.586 -7.776 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.746 9.218 -5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.095 7.557 -6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.037 6.391 -5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.981 6.702 -3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.544 8.321 -4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.119 8.284 -6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.434 7.113 -6.124 1.00 0.00 H new ATOM 401 N ARG A 29 -0.250 7.247 -3.928 1.00 0.00 N ATOM 402 CA ARG A 29 0.888 6.617 -3.268 1.00 0.00 C ATOM 403 C ARG A 29 0.632 5.130 -3.048 1.00 0.00 C ATOM 404 O ARG A 29 -0.213 4.749 -2.239 1.00 0.00 O ATOM 405 CB ARG A 29 1.172 7.303 -1.930 1.00 0.00 C ATOM 406 CG ARG A 29 2.504 6.905 -1.313 1.00 0.00 C ATOM 407 CD ARG A 29 2.313 6.058 -0.065 1.00 0.00 C ATOM 408 NE ARG A 29 1.800 6.841 1.056 1.00 0.00 N ATOM 409 CZ ARG A 29 2.556 7.630 1.817 1.00 0.00 C ATOM 410 NH1 ARG A 29 3.857 7.745 1.580 1.00 0.00 N ATOM 411 NH2 ARG A 29 2.010 8.308 2.817 1.00 0.00 N ATOM 0 H ARG A 29 -1.118 7.212 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 29 1.759 6.725 -3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.156 8.383 -2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.371 7.063 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.092 6.350 -2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.071 7.801 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.624 5.242 -0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.264 5.605 0.215 1.00 0.00 H new ATOM 0 HE ARG A 29 0.804 6.780 1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.283 7.227 0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.431 8.351 2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.011 8.225 3.004 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.589 8.912 3.400 1.00 0.00 H new ATOM 425 N VAL A 30 1.366 4.294 -3.775 1.00 0.00 N ATOM 426 CA VAL A 30 1.217 2.848 -3.662 1.00 0.00 C ATOM 427 C VAL A 30 2.476 2.208 -3.083 1.00 0.00 C ATOM 428 O VAL A 30 3.595 2.576 -3.442 1.00 0.00 O ATOM 429 CB VAL A 30 0.915 2.208 -5.032 1.00 0.00 C ATOM 430 CG1 VAL A 30 -0.433 2.680 -5.558 1.00 0.00 C ATOM 431 CG2 VAL A 30 2.026 2.522 -6.023 1.00 0.00 C ATOM 0 H VAL A 30 2.070 4.594 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 30 0.379 2.667 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 30 0.868 1.126 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.628 2.218 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.217 2.397 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.420 3.764 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.797 2.063 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.108 3.602 -6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.970 2.127 -5.648 1.00 0.00 H new ATOM 441 N LEU A 31 2.282 1.246 -2.188 1.00 0.00 N ATOM 442 CA LEU A 31 3.392 0.548 -1.556 1.00 0.00 C ATOM 443 C LEU A 31 3.888 -0.588 -2.447 1.00 0.00 C ATOM 444 O LEU A 31 3.106 -1.430 -2.886 1.00 0.00 O ATOM 445 CB LEU A 31 2.954 0.005 -0.195 1.00 0.00 C ATOM 446 CG LEU A 31 3.965 -0.899 0.509 1.00 0.00 C ATOM 447 CD1 LEU A 31 4.910 -0.076 1.371 1.00 0.00 C ATOM 448 CD2 LEU A 31 3.240 -1.937 1.351 1.00 0.00 C ATOM 0 H LEU A 31 1.361 0.931 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 31 4.213 1.250 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.730 0.848 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.026 -0.551 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 31 4.557 -1.415 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.622 -0.738 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.449 0.635 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.337 0.466 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.970 -2.576 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.627 -1.435 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.603 -2.545 0.709 1.00 0.00 H new ATOM 460 N LEU A 32 5.190 -0.602 -2.712 1.00 0.00 N ATOM 461 CA LEU A 32 5.788 -1.631 -3.553 1.00 0.00 C ATOM 462 C LEU A 32 6.418 -2.734 -2.708 1.00 0.00 C ATOM 463 O LEU A 32 7.521 -2.574 -2.186 1.00 0.00 O ATOM 464 CB LEU A 32 6.839 -1.013 -4.480 1.00 0.00 C ATOM 465 CG LEU A 32 6.430 -0.923 -5.952 1.00 0.00 C ATOM 466 CD1 LEU A 32 5.166 -0.091 -6.104 1.00 0.00 C ATOM 467 CD2 LEU A 32 7.562 -0.334 -6.781 1.00 0.00 C ATOM 0 H LEU A 32 5.851 0.088 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 32 4.997 -2.075 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.073 -0.011 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.755 -1.599 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 32 6.223 -1.929 -6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.890 -0.038 -7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.356 -0.553 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.345 0.915 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.256 -0.276 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.798 0.666 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.444 -0.969 -6.696 1.00 0.00 H new ATOM 479 N SER A 33 5.713 -3.854 -2.583 1.00 0.00 N ATOM 480 CA SER A 33 6.206 -4.985 -1.807 1.00 0.00 C ATOM 481 C SER A 33 7.090 -5.883 -2.667 1.00 0.00 C ATOM 482 O SER A 33 6.598 -6.770 -3.365 1.00 0.00 O ATOM 483 CB SER A 33 5.037 -5.791 -1.239 1.00 0.00 C ATOM 484 OG SER A 33 4.733 -5.387 0.085 1.00 0.00 O ATOM 0 H SER A 33 4.798 -4.002 -3.009 1.00 0.00 H new ATOM 0 HA SER A 33 6.802 -4.598 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.160 -5.661 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.284 -6.853 -1.251 1.00 0.00 H new ATOM 0 HG SER A 33 3.981 -5.916 0.424 1.00 0.00 H new ATOM 490 N LEU A 34 8.395 -5.644 -2.613 1.00 0.00 N ATOM 491 CA LEU A 34 9.351 -6.425 -3.390 1.00 0.00 C ATOM 492 C LEU A 34 9.790 -7.669 -2.625 1.00 0.00 C ATOM 493 O LEU A 34 10.189 -7.588 -1.463 1.00 0.00 O ATOM 494 CB LEU A 34 10.568 -5.570 -3.742 1.00 0.00 C ATOM 495 CG LEU A 34 11.419 -6.095 -4.901 1.00 0.00 C ATOM 496 CD1 LEU A 34 11.022 -5.424 -6.207 1.00 0.00 C ATOM 497 CD2 LEU A 34 12.902 -5.884 -4.623 1.00 0.00 C ATOM 0 H LEU A 34 8.816 -4.914 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 34 8.861 -6.744 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.227 -4.565 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.200 -5.484 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 34 11.237 -7.166 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.639 -5.812 -7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.973 -5.631 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.169 -4.347 -6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.487 -6.265 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.101 -4.820 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.181 -6.416 -3.714 1.00 0.00 H new ATOM 509 N ALA A 35 9.720 -8.818 -3.288 1.00 0.00 N ATOM 510 CA ALA A 35 10.112 -10.082 -2.676 1.00 0.00 C ATOM 511 C ALA A 35 10.956 -10.914 -3.635 1.00 0.00 C ATOM 512 O ALA A 35 10.680 -10.967 -4.833 1.00 0.00 O ATOM 513 CB ALA A 35 8.882 -10.860 -2.236 1.00 0.00 C ATOM 0 H ALA A 35 9.395 -8.900 -4.251 1.00 0.00 H new ATOM 0 HA ALA A 35 10.718 -9.862 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.190 -11.801 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.321 -10.273 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.252 -11.065 -3.102 1.00 0.00 H new ATOM 519 N GLU A 36 11.985 -11.563 -3.100 1.00 0.00 N ATOM 520 CA GLU A 36 12.872 -12.393 -3.911 1.00 0.00 C ATOM 521 C GLU A 36 12.097 -13.487 -4.633 1.00 0.00 C ATOM 522 O GLU A 36 12.541 -14.012 -5.654 1.00 0.00 O ATOM 523 CB GLU A 36 13.961 -13.016 -3.038 1.00 0.00 C ATOM 524 CG GLU A 36 13.438 -13.589 -1.731 1.00 0.00 C ATOM 525 CD GLU A 36 13.685 -15.081 -1.607 1.00 0.00 C ATOM 526 OE1 GLU A 36 14.665 -15.572 -2.204 1.00 0.00 O ATOM 527 OE2 GLU A 36 12.896 -15.757 -0.913 1.00 0.00 O ATOM 0 H GLU A 36 12.226 -11.531 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 36 13.336 -11.752 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.457 -13.808 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.715 -12.261 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.915 -13.075 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.368 -13.394 -1.656 1.00 0.00 H new ATOM 534 N ASP A 37 10.940 -13.823 -4.091 1.00 0.00 N ATOM 535 CA ASP A 37 10.089 -14.856 -4.673 1.00 0.00 C ATOM 536 C ASP A 37 9.174 -14.269 -5.744 1.00 0.00 C ATOM 537 O ASP A 37 8.816 -14.947 -6.707 1.00 0.00 O ATOM 538 CB ASP A 37 9.251 -15.527 -3.583 1.00 0.00 C ATOM 539 CG ASP A 37 9.944 -16.736 -2.985 1.00 0.00 C ATOM 540 OD1 ASP A 37 9.982 -17.789 -3.654 1.00 0.00 O ATOM 541 OD2 ASP A 37 10.447 -16.629 -1.847 1.00 0.00 O ATOM 0 H ASP A 37 10.563 -13.396 -3.245 1.00 0.00 H new ATOM 0 HA ASP A 37 10.732 -15.602 -5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.040 -14.805 -2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.292 -15.831 -4.001 1.00 0.00 H new ATOM 546 N ALA A 38 8.800 -13.005 -5.570 1.00 0.00 N ATOM 547 CA ALA A 38 7.926 -12.328 -6.520 1.00 0.00 C ATOM 548 C ALA A 38 7.691 -10.879 -6.109 1.00 0.00 C ATOM 549 O ALA A 38 8.229 -10.414 -5.104 1.00 0.00 O ATOM 550 CB ALA A 38 6.601 -13.067 -6.642 1.00 0.00 C ATOM 0 H ALA A 38 9.089 -12.429 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 38 8.418 -12.329 -7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.960 -12.549 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.782 -14.084 -6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.111 -13.098 -5.669 1.00 0.00 H new ATOM 556 N LEU A 39 6.884 -10.170 -6.890 1.00 0.00 N ATOM 557 CA LEU A 39 6.578 -8.773 -6.605 1.00 0.00 C ATOM 558 C LEU A 39 5.109 -8.602 -6.235 1.00 0.00 C ATOM 559 O LEU A 39 4.269 -9.432 -6.587 1.00 0.00 O ATOM 560 CB LEU A 39 6.923 -7.897 -7.812 1.00 0.00 C ATOM 561 CG LEU A 39 7.897 -6.752 -7.522 1.00 0.00 C ATOM 562 CD1 LEU A 39 9.141 -6.870 -8.390 1.00 0.00 C ATOM 563 CD2 LEU A 39 7.221 -5.406 -7.739 1.00 0.00 C ATOM 0 H LEU A 39 6.430 -10.539 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 39 7.184 -8.459 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.350 -8.529 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.001 -7.477 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 39 8.201 -6.820 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.819 -6.046 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.640 -7.817 -8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.856 -6.831 -9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.929 -4.605 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.885 -5.330 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.364 -5.318 -7.072 1.00 0.00 H new ATOM 575 N THR A 40 4.806 -7.520 -5.527 1.00 0.00 N ATOM 576 CA THR A 40 3.438 -7.235 -5.108 1.00 0.00 C ATOM 577 C THR A 40 3.267 -5.750 -4.806 1.00 0.00 C ATOM 578 O THR A 40 4.038 -5.171 -4.041 1.00 0.00 O ATOM 579 CB THR A 40 3.076 -8.064 -3.875 1.00 0.00 C ATOM 580 OG1 THR A 40 3.373 -9.432 -4.087 1.00 0.00 O ATOM 581 CG2 THR A 40 1.614 -7.965 -3.495 1.00 0.00 C ATOM 0 H THR A 40 5.490 -6.824 -5.230 1.00 0.00 H new ATOM 0 HA THR A 40 2.768 -7.504 -5.924 1.00 0.00 H new ATOM 0 HB THR A 40 3.674 -7.651 -3.063 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.359 -9.625 -5.048 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.425 -8.577 -2.613 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.364 -6.927 -3.277 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.998 -8.320 -4.321 1.00 0.00 H new ATOM 589 N VAL A 41 2.255 -5.136 -5.412 1.00 0.00 N ATOM 590 CA VAL A 41 1.991 -3.717 -5.205 1.00 0.00 C ATOM 591 C VAL A 41 0.604 -3.491 -4.615 1.00 0.00 C ATOM 592 O VAL A 41 -0.283 -4.335 -4.739 1.00 0.00 O ATOM 593 CB VAL A 41 2.109 -2.920 -6.517 1.00 0.00 C ATOM 594 CG1 VAL A 41 2.133 -1.426 -6.234 1.00 0.00 C ATOM 595 CG2 VAL A 41 3.350 -3.341 -7.292 1.00 0.00 C ATOM 0 H VAL A 41 1.606 -5.598 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 41 2.745 -3.362 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 41 1.235 -3.138 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.217 -0.879 -7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.213 -1.137 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.987 -1.190 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.415 -2.766 -8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.237 -3.156 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.288 -4.403 -7.529 1.00 0.00 H new ATOM 605 N SER A 42 0.428 -2.339 -3.976 1.00 0.00 N ATOM 606 CA SER A 42 -0.846 -1.982 -3.364 1.00 0.00 C ATOM 607 C SER A 42 -0.928 -0.473 -3.147 1.00 0.00 C ATOM 608 O SER A 42 0.098 0.202 -3.081 1.00 0.00 O ATOM 609 CB SER A 42 -1.017 -2.714 -2.030 1.00 0.00 C ATOM 610 OG SER A 42 -2.077 -2.158 -1.273 1.00 0.00 O ATOM 0 H SER A 42 1.157 -1.633 -3.868 1.00 0.00 H new ATOM 0 HA SER A 42 -1.649 -2.283 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.213 -3.770 -2.214 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.090 -2.657 -1.459 1.00 0.00 H new ATOM 0 HG SER A 42 -2.873 -2.722 -1.362 1.00 0.00 H new ATOM 616 N PRO A 43 -2.147 0.083 -3.035 1.00 0.00 N ATOM 617 CA PRO A 43 -2.347 1.523 -2.834 1.00 0.00 C ATOM 618 C PRO A 43 -2.000 1.982 -1.416 1.00 0.00 C ATOM 619 O PRO A 43 -2.695 2.823 -0.845 1.00 0.00 O ATOM 620 CB PRO A 43 -3.849 1.727 -3.102 1.00 0.00 C ATOM 621 CG PRO A 43 -4.353 0.424 -3.635 1.00 0.00 C ATOM 622 CD PRO A 43 -3.425 -0.630 -3.109 1.00 0.00 C ATOM 0 HA PRO A 43 -1.697 2.105 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.374 2.004 -2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.012 2.531 -3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.376 0.240 -3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.362 0.426 -4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.741 -0.999 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.371 -1.492 -3.774 1.00 0.00 H new ATOM 630 N ALA A 44 -0.926 1.431 -0.853 1.00 0.00 N ATOM 631 CA ALA A 44 -0.491 1.786 0.497 1.00 0.00 C ATOM 632 C ALA A 44 -1.666 1.831 1.466 1.00 0.00 C ATOM 633 O ALA A 44 -1.655 2.582 2.443 1.00 0.00 O ATOM 634 CB ALA A 44 0.237 3.121 0.481 1.00 0.00 C ATOM 0 H ALA A 44 -0.339 0.735 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 44 0.195 1.013 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.556 3.374 1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.110 3.052 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.432 3.896 0.107 1.00 0.00 H new ATOM 1699 N ALA A 120 -4.453 -6.032 -6.080 1.00 0.00 N ATOM 1700 CA ALA A 120 -3.058 -5.611 -6.077 1.00 0.00 C ATOM 1701 C ALA A 120 -2.366 -5.997 -7.380 1.00 0.00 C ATOM 1702 O ALA A 120 -2.991 -6.550 -8.286 1.00 0.00 O ATOM 1703 CB ALA A 120 -2.326 -6.219 -4.890 1.00 0.00 C ATOM 0 HA ALA A 120 -3.032 -4.525 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -1.285 -5.896 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.799 -5.891 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.369 -7.306 -4.954 1.00 0.00 H new ATOM 1709 N LYS A 121 -1.073 -5.703 -7.469 1.00 0.00 N ATOM 1710 CA LYS A 121 -0.298 -6.021 -8.663 1.00 0.00 C ATOM 1711 C LYS A 121 0.871 -6.940 -8.324 1.00 0.00 C ATOM 1712 O LYS A 121 1.841 -6.520 -7.692 1.00 0.00 O ATOM 1713 CB LYS A 121 0.220 -4.739 -9.317 1.00 0.00 C ATOM 1714 CG LYS A 121 -0.852 -3.680 -9.513 1.00 0.00 C ATOM 1715 CD LYS A 121 -0.367 -2.555 -10.413 1.00 0.00 C ATOM 1716 CE LYS A 121 -0.799 -1.195 -9.886 1.00 0.00 C ATOM 1717 NZ LYS A 121 -2.277 -1.021 -9.945 1.00 0.00 N ATOM 0 H LYS A 121 -0.540 -5.245 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.953 -6.539 -9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.020 -4.325 -8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.657 -4.986 -10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.741 -4.137 -9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -1.144 -3.273 -8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.720 -2.589 -10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.760 -2.698 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -0.461 -1.080 -8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -0.317 -0.410 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.531 -0.082 -9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -2.597 -1.105 -10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.736 -1.754 -9.368 1.00 0.00 H new ATOM 1731 N HIS A 122 0.773 -8.196 -8.749 1.00 0.00 N ATOM 1732 CA HIS A 122 1.822 -9.174 -8.489 1.00 0.00 C ATOM 1733 C HIS A 122 2.560 -9.537 -9.774 1.00 0.00 C ATOM 1734 O HIS A 122 1.962 -9.600 -10.849 1.00 0.00 O ATOM 1735 CB HIS A 122 1.228 -10.436 -7.858 1.00 0.00 C ATOM 1736 CG HIS A 122 0.250 -10.153 -6.760 1.00 0.00 C ATOM 1737 ND1 HIS A 122 -1.057 -9.781 -6.994 1.00 0.00 N ATOM 1738 CD2 HIS A 122 0.393 -10.191 -5.413 1.00 0.00 C ATOM 1739 CE1 HIS A 122 -1.676 -9.601 -5.841 1.00 0.00 C ATOM 1740 NE2 HIS A 122 -0.818 -9.844 -4.867 1.00 0.00 N ATOM 0 H HIS A 122 -0.022 -8.560 -9.275 1.00 0.00 H new ATOM 0 HA HIS A 122 2.534 -8.728 -7.795 1.00 0.00 H new ATOM 0 HB2 HIS A 122 0.733 -11.021 -8.633 1.00 0.00 H new ATOM 0 HB3 HIS A 122 2.037 -11.050 -7.463 1.00 0.00 H new ATOM 0 HD2 HIS A 122 1.291 -10.446 -4.871 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -2.707 -9.306 -5.716 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -1.022 -9.784 -3.869 1.00 0.00 H new ATOM 1749 N VAL A 123 3.862 -9.775 -9.657 1.00 0.00 N ATOM 1750 CA VAL A 123 4.683 -10.132 -10.808 1.00 0.00 C ATOM 1751 C VAL A 123 5.392 -11.464 -10.578 1.00 0.00 C ATOM 1752 O VAL A 123 6.061 -11.655 -9.562 1.00 0.00 O ATOM 1753 CB VAL A 123 5.736 -9.046 -11.116 1.00 0.00 C ATOM 1754 CG1 VAL A 123 6.307 -9.235 -12.513 1.00 0.00 C ATOM 1755 CG2 VAL A 123 5.134 -7.655 -10.960 1.00 0.00 C ATOM 0 H VAL A 123 4.372 -9.727 -8.775 1.00 0.00 H new ATOM 0 HA VAL A 123 4.010 -10.219 -11.661 1.00 0.00 H new ATOM 0 HB VAL A 123 6.551 -9.145 -10.400 1.00 0.00 H new ATOM 0 HG11 VAL A 123 7.047 -8.460 -12.711 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.780 -10.215 -12.583 1.00 0.00 H new ATOM 0 HG13 VAL A 123 5.504 -9.166 -13.247 1.00 0.00 H new ATOM 0 HG21 VAL A 123 5.892 -6.904 -11.181 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.298 -7.541 -11.650 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.781 -7.524 -9.937 1.00 0.00 H new ATOM 1765 N SER A 124 5.236 -12.384 -11.525 1.00 0.00 N ATOM 1766 CA SER A 124 5.855 -13.702 -11.425 1.00 0.00 C ATOM 1767 C SER A 124 7.371 -13.592 -11.297 1.00 0.00 C ATOM 1768 O SER A 124 8.015 -14.439 -10.678 1.00 0.00 O ATOM 1769 CB SER A 124 5.497 -14.550 -12.646 1.00 0.00 C ATOM 1770 OG SER A 124 6.197 -14.108 -13.797 1.00 0.00 O ATOM 0 H SER A 124 4.685 -12.241 -12.372 1.00 0.00 H new ATOM 0 HA SER A 124 5.470 -14.184 -10.527 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.737 -15.595 -12.450 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.423 -14.498 -12.827 1.00 0.00 H new ATOM 0 HG SER A 124 5.952 -14.667 -14.564 1.00 0.00 H new ATOM 1776 N LEU A 125 7.938 -12.544 -11.886 1.00 0.00 N ATOM 1777 CA LEU A 125 9.380 -12.323 -11.838 1.00 0.00 C ATOM 1778 C LEU A 125 10.124 -13.430 -12.581 1.00 0.00 C ATOM 1779 O LEU A 125 11.251 -13.780 -12.231 1.00 0.00 O ATOM 1780 CB LEU A 125 9.860 -12.248 -10.385 1.00 0.00 C ATOM 1781 CG LEU A 125 10.256 -10.851 -9.906 1.00 0.00 C ATOM 1782 CD1 LEU A 125 9.123 -9.866 -10.145 1.00 0.00 C ATOM 1783 CD2 LEU A 125 10.639 -10.881 -8.436 1.00 0.00 C ATOM 0 H LEU A 125 7.420 -11.833 -12.403 1.00 0.00 H new ATOM 0 HA LEU A 125 9.595 -11.374 -12.330 1.00 0.00 H new ATOM 0 HB2 LEU A 125 9.070 -12.627 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 125 10.716 -12.912 -10.266 1.00 0.00 H new ATOM 0 HG LEU A 125 11.123 -10.522 -10.479 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.422 -8.877 -9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.896 -9.824 -11.210 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.238 -10.190 -9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.918 -9.878 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.791 -11.230 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 125 11.483 -11.556 -8.294 1.00 0.00 H new ATOM 1795 N LYS A 126 9.484 -13.975 -13.611 1.00 0.00 N ATOM 1796 CA LYS A 126 10.084 -15.039 -14.407 1.00 0.00 C ATOM 1797 C LYS A 126 9.968 -14.730 -15.895 1.00 0.00 C ATOM 1798 O LYS A 126 9.771 -15.627 -16.714 1.00 0.00 O ATOM 1799 CB LYS A 126 9.409 -16.377 -14.097 1.00 0.00 C ATOM 1800 CG LYS A 126 10.362 -17.562 -14.133 1.00 0.00 C ATOM 1801 CD LYS A 126 10.136 -18.500 -12.956 1.00 0.00 C ATOM 1802 CE LYS A 126 10.003 -19.944 -13.409 1.00 0.00 C ATOM 1803 NZ LYS A 126 9.867 -20.878 -12.256 1.00 0.00 N ATOM 0 H LYS A 126 8.550 -13.697 -13.914 1.00 0.00 H new ATOM 0 HA LYS A 126 11.141 -15.105 -14.148 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.948 -16.322 -13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 126 8.606 -16.545 -14.815 1.00 0.00 H new ATOM 0 HG2 LYS A 126 10.227 -18.109 -15.066 1.00 0.00 H new ATOM 0 HG3 LYS A 126 11.391 -17.202 -14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 126 10.967 -18.413 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 126 9.235 -18.202 -12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 126 9.134 -20.042 -14.060 1.00 0.00 H new ATOM 0 HE3 LYS A 126 10.876 -20.221 -14.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 9.779 -21.853 -12.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 10.708 -20.804 -11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 9.020 -20.630 -11.707 1.00 0.00 H new ATOM 1817 N MET A 127 10.091 -13.450 -16.238 1.00 0.00 N ATOM 1818 CA MET A 127 10.001 -13.010 -17.629 1.00 0.00 C ATOM 1819 C MET A 127 9.930 -11.487 -17.715 1.00 0.00 C ATOM 1820 O MET A 127 10.363 -10.891 -18.702 1.00 0.00 O ATOM 1821 CB MET A 127 8.776 -13.630 -18.310 1.00 0.00 C ATOM 1822 CG MET A 127 9.129 -14.625 -19.406 1.00 0.00 C ATOM 1823 SD MET A 127 7.685 -15.177 -20.333 1.00 0.00 S ATOM 1824 CE MET A 127 7.912 -14.294 -21.874 1.00 0.00 C ATOM 0 H MET A 127 10.254 -12.697 -15.570 1.00 0.00 H new ATOM 0 HA MET A 127 10.900 -13.345 -18.146 1.00 0.00 H new ATOM 0 HB2 MET A 127 8.167 -14.131 -17.558 1.00 0.00 H new ATOM 0 HB3 MET A 127 8.165 -12.834 -18.736 1.00 0.00 H new ATOM 0 HG2 MET A 127 9.843 -14.167 -20.091 1.00 0.00 H new ATOM 0 HG3 MET A 127 9.623 -15.489 -18.962 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.095 -14.533 -22.554 1.00 0.00 H new ATOM 0 HE2 MET A 127 7.921 -13.221 -21.681 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.859 -14.589 -22.327 1.00 0.00 H new ATOM 1834 N ALA A 128 9.378 -10.862 -16.676 1.00 0.00 N ATOM 1835 CA ALA A 128 9.248 -9.408 -16.632 1.00 0.00 C ATOM 1836 C ALA A 128 10.575 -8.717 -16.929 1.00 0.00 C ATOM 1837 O ALA A 128 11.582 -9.370 -17.203 1.00 0.00 O ATOM 1838 CB ALA A 128 8.724 -8.969 -15.271 1.00 0.00 C ATOM 0 H ALA A 128 9.013 -11.341 -15.853 1.00 0.00 H new ATOM 0 HA ALA A 128 8.538 -9.114 -17.405 1.00 0.00 H new ATOM 0 HB1 ALA A 128 8.631 -7.883 -15.250 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.748 -9.420 -15.094 1.00 0.00 H new ATOM 0 HB3 ALA A 128 9.418 -9.289 -14.494 1.00 0.00 H new ATOM 1844 N TYR A 129 10.569 -7.390 -16.869 1.00 0.00 N ATOM 1845 CA TYR A 129 11.770 -6.602 -17.127 1.00 0.00 C ATOM 1846 C TYR A 129 11.584 -5.170 -16.640 1.00 0.00 C ATOM 1847 O TYR A 129 10.731 -4.439 -17.145 1.00 0.00 O ATOM 1848 CB TYR A 129 12.099 -6.611 -18.620 1.00 0.00 C ATOM 1849 CG TYR A 129 13.466 -6.051 -18.943 1.00 0.00 C ATOM 1850 CD1 TYR A 129 13.651 -4.687 -19.138 1.00 0.00 C ATOM 1851 CD2 TYR A 129 14.572 -6.885 -19.053 1.00 0.00 C ATOM 1852 CE1 TYR A 129 14.898 -4.172 -19.436 1.00 0.00 C ATOM 1853 CE2 TYR A 129 15.822 -6.377 -19.350 1.00 0.00 C ATOM 1854 CZ TYR A 129 15.979 -5.021 -19.538 1.00 0.00 C ATOM 1855 OH TYR A 129 17.223 -4.510 -19.834 1.00 0.00 O ATOM 0 H TYR A 129 9.743 -6.835 -16.643 1.00 0.00 H new ATOM 0 HA TYR A 129 12.600 -7.050 -16.581 1.00 0.00 H new ATOM 0 HB2 TYR A 129 12.038 -7.634 -18.991 1.00 0.00 H new ATOM 0 HB3 TYR A 129 11.344 -6.033 -19.153 1.00 0.00 H new ATOM 0 HD1 TYR A 129 12.806 -4.019 -19.055 1.00 0.00 H new ATOM 0 HD2 TYR A 129 14.452 -7.948 -18.904 1.00 0.00 H new ATOM 0 HE1 TYR A 129 15.025 -3.110 -19.588 1.00 0.00 H new ATOM 0 HE2 TYR A 129 16.671 -7.039 -19.434 1.00 0.00 H new ATOM 0 HH TYR A 129 17.877 -5.239 -19.869 1.00 0.00 H new ATOM 1865 N VAL A 130 12.382 -4.776 -15.653 1.00 0.00 N ATOM 1866 CA VAL A 130 12.294 -3.430 -15.099 1.00 0.00 C ATOM 1867 C VAL A 130 13.204 -2.461 -15.841 1.00 0.00 C ATOM 1868 O VAL A 130 14.165 -2.862 -16.498 1.00 0.00 O ATOM 1869 CB VAL A 130 12.627 -3.412 -13.591 1.00 0.00 C ATOM 1870 CG1 VAL A 130 13.877 -4.229 -13.290 1.00 0.00 C ATOM 1871 CG2 VAL A 130 12.785 -1.990 -13.073 1.00 0.00 C ATOM 0 H VAL A 130 13.094 -5.366 -15.222 1.00 0.00 H new ATOM 0 HA VAL A 130 11.262 -3.105 -15.228 1.00 0.00 H new ATOM 0 HB VAL A 130 11.786 -3.871 -13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.084 -4.196 -12.220 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.719 -5.263 -13.597 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.724 -3.813 -13.837 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.019 -2.014 -12.009 1.00 0.00 H new ATOM 0 HG22 VAL A 130 13.593 -1.495 -13.611 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.856 -1.441 -13.228 1.00 0.00 H new ATOM 1881 N SER A 131 12.882 -1.182 -15.724 1.00 0.00 N ATOM 1882 CA SER A 131 13.650 -0.126 -16.373 1.00 0.00 C ATOM 1883 C SER A 131 13.246 1.242 -15.836 1.00 0.00 C ATOM 1884 O SER A 131 12.064 1.585 -15.807 1.00 0.00 O ATOM 1885 CB SER A 131 13.446 -0.174 -17.888 1.00 0.00 C ATOM 1886 OG SER A 131 14.644 0.140 -18.575 1.00 0.00 O ATOM 0 H SER A 131 12.087 -0.846 -15.181 1.00 0.00 H new ATOM 0 HA SER A 131 14.705 -0.288 -16.153 1.00 0.00 H new ATOM 0 HB2 SER A 131 13.105 -1.167 -18.181 1.00 0.00 H new ATOM 0 HB3 SER A 131 12.664 0.529 -18.175 1.00 0.00 H new ATOM 0 HG SER A 131 14.487 0.101 -19.542 1.00 0.00 H new ATOM 1892 N ARG A 132 14.235 2.021 -15.410 1.00 0.00 N ATOM 1893 CA ARG A 132 13.981 3.351 -14.872 1.00 0.00 C ATOM 1894 C ARG A 132 14.092 4.414 -15.961 1.00 0.00 C ATOM 1895 O ARG A 132 15.176 4.674 -16.481 1.00 0.00 O ATOM 1896 CB ARG A 132 14.963 3.663 -13.740 1.00 0.00 C ATOM 1897 CG ARG A 132 16.406 3.316 -14.071 1.00 0.00 C ATOM 1898 CD ARG A 132 17.354 4.446 -13.700 1.00 0.00 C ATOM 1899 NE ARG A 132 17.615 5.334 -14.830 1.00 0.00 N ATOM 1900 CZ ARG A 132 18.719 6.067 -14.962 1.00 0.00 C ATOM 1901 NH1 ARG A 132 19.667 6.030 -14.032 1.00 0.00 N ATOM 1902 NH2 ARG A 132 18.876 6.842 -16.026 1.00 0.00 N ATOM 0 H ARG A 132 15.219 1.754 -15.427 1.00 0.00 H new ATOM 0 HA ARG A 132 12.964 3.365 -14.479 1.00 0.00 H new ATOM 0 HB2 ARG A 132 14.900 4.724 -13.498 1.00 0.00 H new ATOM 0 HB3 ARG A 132 14.662 3.114 -12.848 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.694 2.409 -13.539 1.00 0.00 H new ATOM 0 HG3 ARG A 132 16.494 3.102 -15.136 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.928 5.021 -12.878 1.00 0.00 H new ATOM 0 HD3 ARG A 132 18.295 4.027 -13.343 1.00 0.00 H new ATOM 0 HE ARG A 132 16.908 5.397 -15.563 1.00 0.00 H new ATOM 0 HH11 ARG A 132 19.552 5.437 -13.210 1.00 0.00 H new ATOM 0 HH12 ARG A 132 20.510 6.594 -14.140 1.00 0.00 H new ATOM 0 HH21 ARG A 132 18.151 6.877 -16.743 1.00 0.00 H new ATOM 0 HH22 ARG A 132 19.721 7.404 -16.128 1.00 0.00 H new ATOM 1916 N ARG A 133 12.961 5.027 -16.299 1.00 0.00 N ATOM 1917 CA ARG A 133 12.929 6.063 -17.324 1.00 0.00 C ATOM 1918 C ARG A 133 13.139 7.444 -16.705 1.00 0.00 C ATOM 1919 O ARG A 133 13.201 7.582 -15.484 1.00 0.00 O ATOM 1920 CB ARG A 133 11.598 6.023 -18.079 1.00 0.00 C ATOM 1921 CG ARG A 133 11.756 5.845 -19.581 1.00 0.00 C ATOM 1922 CD ARG A 133 11.896 4.380 -19.957 1.00 0.00 C ATOM 1923 NE ARG A 133 11.643 4.151 -21.377 1.00 0.00 N ATOM 1924 CZ ARG A 133 11.931 3.015 -22.008 1.00 0.00 C ATOM 1925 NH1 ARG A 133 12.482 2.004 -21.348 1.00 0.00 N ATOM 1926 NH2 ARG A 133 11.668 2.891 -23.301 1.00 0.00 N ATOM 0 H ARG A 133 12.055 4.823 -15.877 1.00 0.00 H new ATOM 0 HA ARG A 133 13.740 5.872 -18.027 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.991 5.207 -17.687 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.052 6.947 -17.886 1.00 0.00 H new ATOM 0 HG2 ARG A 133 10.893 6.272 -20.092 1.00 0.00 H new ATOM 0 HG3 ARG A 133 12.633 6.395 -19.923 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.900 4.037 -19.708 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.200 3.786 -19.365 1.00 0.00 H new ATOM 0 HE ARG A 133 11.221 4.906 -21.917 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.687 2.096 -20.353 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.701 1.135 -21.836 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.245 3.666 -23.812 1.00 0.00 H new ATOM 0 HH22 ARG A 133 11.888 2.021 -23.785 1.00 0.00 H new ATOM 2072 N TYR A 143 11.355 7.492 -13.441 1.00 0.00 N ATOM 2073 CA TYR A 143 10.140 6.693 -13.563 1.00 0.00 C ATOM 2074 C TYR A 143 10.457 5.201 -13.491 1.00 0.00 C ATOM 2075 O TYR A 143 11.098 4.650 -14.384 1.00 0.00 O ATOM 2076 CB TYR A 143 9.425 7.012 -14.877 1.00 0.00 C ATOM 2077 CG TYR A 143 8.520 8.219 -14.800 1.00 0.00 C ATOM 2078 CD1 TYR A 143 7.675 8.410 -13.713 1.00 0.00 C ATOM 2079 CD2 TYR A 143 8.508 9.170 -15.814 1.00 0.00 C ATOM 2080 CE1 TYR A 143 6.846 9.513 -13.638 1.00 0.00 C ATOM 2081 CE2 TYR A 143 7.682 10.275 -15.745 1.00 0.00 C ATOM 2082 CZ TYR A 143 6.853 10.442 -14.656 1.00 0.00 C ATOM 2083 OH TYR A 143 6.029 11.541 -14.586 1.00 0.00 O ATOM 0 HA TYR A 143 9.485 6.946 -12.730 1.00 0.00 H new ATOM 0 HB2 TYR A 143 10.170 7.177 -15.655 1.00 0.00 H new ATOM 0 HB3 TYR A 143 8.836 6.146 -15.179 1.00 0.00 H new ATOM 0 HD1 TYR A 143 7.666 7.684 -12.913 1.00 0.00 H new ATOM 0 HD2 TYR A 143 9.155 9.043 -16.669 1.00 0.00 H new ATOM 0 HE1 TYR A 143 6.196 9.646 -12.786 1.00 0.00 H new ATOM 0 HE2 TYR A 143 7.686 11.005 -16.541 1.00 0.00 H new ATOM 0 HH TYR A 143 6.157 12.097 -15.383 1.00 0.00 H new ATOM 2093 N LEU A 144 10.001 4.556 -12.423 1.00 0.00 N ATOM 2094 CA LEU A 144 10.234 3.130 -12.235 1.00 0.00 C ATOM 2095 C LEU A 144 9.200 2.305 -12.996 1.00 0.00 C ATOM 2096 O LEU A 144 8.151 1.956 -12.455 1.00 0.00 O ATOM 2097 CB LEU A 144 10.196 2.777 -10.745 1.00 0.00 C ATOM 2098 CG LEU A 144 11.563 2.537 -10.102 1.00 0.00 C ATOM 2099 CD1 LEU A 144 11.493 2.755 -8.599 1.00 0.00 C ATOM 2100 CD2 LEU A 144 12.058 1.134 -10.417 1.00 0.00 C ATOM 0 H LEU A 144 9.468 4.999 -11.674 1.00 0.00 H new ATOM 0 HA LEU A 144 11.222 2.892 -12.630 1.00 0.00 H new ATOM 0 HB2 LEU A 144 9.696 3.583 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 144 9.588 1.882 -10.615 1.00 0.00 H new ATOM 0 HG LEU A 144 12.271 3.254 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 144 12.475 2.580 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 144 11.182 3.779 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.772 2.063 -8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 144 13.032 0.979 -9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.350 0.402 -10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 144 12.148 1.014 -11.497 1.00 0.00 H new ATOM 2112 N GLU A 145 9.505 1.997 -14.252 1.00 0.00 N ATOM 2113 CA GLU A 145 8.601 1.215 -15.088 1.00 0.00 C ATOM 2114 C GLU A 145 8.989 -0.260 -15.080 1.00 0.00 C ATOM 2115 O GLU A 145 10.170 -0.602 -15.154 1.00 0.00 O ATOM 2116 CB GLU A 145 8.607 1.749 -16.522 1.00 0.00 C ATOM 2117 CG GLU A 145 7.238 1.739 -17.182 1.00 0.00 C ATOM 2118 CD GLU A 145 7.317 1.842 -18.691 1.00 0.00 C ATOM 2119 OE1 GLU A 145 7.426 0.790 -19.355 1.00 0.00 O ATOM 2120 OE2 GLU A 145 7.271 2.977 -19.212 1.00 0.00 O ATOM 0 H GLU A 145 10.371 2.277 -14.713 1.00 0.00 H new ATOM 0 HA GLU A 145 7.596 1.309 -14.677 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.992 2.769 -16.519 1.00 0.00 H new ATOM 0 HB3 GLU A 145 9.294 1.151 -17.121 1.00 0.00 H new ATOM 0 HG2 GLU A 145 6.715 0.822 -16.911 1.00 0.00 H new ATOM 0 HG3 GLU A 145 6.647 2.569 -16.796 1.00 0.00 H new ATOM 2127 N ILE A 146 7.987 -1.129 -14.990 1.00 0.00 N ATOM 2128 CA ILE A 146 8.223 -2.567 -14.973 1.00 0.00 C ATOM 2129 C ILE A 146 7.155 -3.306 -15.770 1.00 0.00 C ATOM 2130 O ILE A 146 5.959 -3.131 -15.538 1.00 0.00 O ATOM 2131 CB ILE A 146 8.242 -3.116 -13.534 1.00 0.00 C ATOM 2132 CG1 ILE A 146 9.150 -2.260 -12.651 1.00 0.00 C ATOM 2133 CG2 ILE A 146 8.701 -4.568 -13.526 1.00 0.00 C ATOM 2134 CD1 ILE A 146 9.220 -2.734 -11.215 1.00 0.00 C ATOM 0 H ILE A 146 7.005 -0.862 -14.928 1.00 0.00 H new ATOM 0 HA ILE A 146 9.198 -2.734 -15.431 1.00 0.00 H new ATOM 0 HB ILE A 146 7.230 -3.073 -13.131 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.155 -2.256 -13.073 1.00 0.00 H new ATOM 0 HG13 ILE A 146 8.793 -1.230 -12.668 1.00 0.00 H new ATOM 0 HG21 ILE A 146 8.709 -4.941 -12.502 1.00 0.00 H new ATOM 0 HG22 ILE A 146 8.018 -5.169 -14.126 1.00 0.00 H new ATOM 0 HG23 ILE A 146 9.705 -4.634 -13.944 1.00 0.00 H new ATOM 0 HD11 ILE A 146 9.882 -2.080 -10.648 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.223 -2.711 -10.775 1.00 0.00 H new ATOM 0 HD13 ILE A 146 9.606 -3.753 -11.187 1.00 0.00 H new ATOM 2146 N CYS A 147 7.593 -4.134 -16.713 1.00 0.00 N ATOM 2147 CA CYS A 147 6.673 -4.900 -17.546 1.00 0.00 C ATOM 2148 C CYS A 147 6.806 -6.395 -17.277 1.00 0.00 C ATOM 2149 O CYS A 147 7.910 -6.940 -17.271 1.00 0.00 O ATOM 2150 CB CYS A 147 6.931 -4.612 -19.026 1.00 0.00 C ATOM 2151 SG CYS A 147 6.802 -2.865 -19.471 1.00 0.00 S ATOM 0 H CYS A 147 8.579 -4.292 -16.919 1.00 0.00 H new ATOM 0 HA CYS A 147 5.658 -4.594 -17.294 1.00 0.00 H new ATOM 0 HB2 CYS A 147 7.927 -4.970 -19.286 1.00 0.00 H new ATOM 0 HB3 CYS A 147 6.221 -5.182 -19.625 1.00 0.00 H new ATOM 0 HG CYS A 147 7.039 -2.722 -20.741 1.00 0.00 H new ATOM 2157 N ALA A 148 5.672 -7.052 -17.057 1.00 0.00 N ATOM 2158 CA ALA A 148 5.660 -8.485 -16.787 1.00 0.00 C ATOM 2159 C ALA A 148 5.012 -9.253 -17.931 1.00 0.00 C ATOM 2160 O ALA A 148 4.158 -8.727 -18.645 1.00 0.00 O ATOM 2161 CB ALA A 148 4.936 -8.769 -15.480 1.00 0.00 C ATOM 0 H ALA A 148 4.750 -6.615 -17.060 1.00 0.00 H new ATOM 0 HA ALA A 148 6.693 -8.822 -16.698 1.00 0.00 H new ATOM 0 HB1 ALA A 148 4.934 -9.842 -15.291 1.00 0.00 H new ATOM 0 HB2 ALA A 148 5.445 -8.257 -14.663 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.909 -8.411 -15.548 1.00 0.00 H new ATOM 2167 N ALA A 149 5.429 -10.503 -18.100 1.00 0.00 N ATOM 2168 CA ALA A 149 4.896 -11.350 -19.157 1.00 0.00 C ATOM 2169 C ALA A 149 3.768 -12.237 -18.642 1.00 0.00 C ATOM 2170 O ALA A 149 3.563 -13.348 -19.131 1.00 0.00 O ATOM 2171 CB ALA A 149 6.008 -12.199 -19.754 1.00 0.00 C ATOM 0 H ALA A 149 6.136 -10.951 -17.517 1.00 0.00 H new ATOM 0 HA ALA A 149 4.483 -10.705 -19.933 1.00 0.00 H new ATOM 0 HB1 ALA A 149 5.600 -12.830 -20.544 1.00 0.00 H new ATOM 0 HB2 ALA A 149 6.778 -11.550 -20.170 1.00 0.00 H new ATOM 0 HB3 ALA A 149 6.443 -12.827 -18.977 1.00 0.00 H new ATOM 2177 N ASP A 150 3.035 -11.735 -17.656 1.00 0.00 N ATOM 2178 CA ASP A 150 1.921 -12.472 -17.074 1.00 0.00 C ATOM 2179 C ASP A 150 0.599 -11.805 -17.434 1.00 0.00 C ATOM 2180 O ASP A 150 -0.294 -11.672 -16.597 1.00 0.00 O ATOM 2181 CB ASP A 150 2.072 -12.553 -15.553 1.00 0.00 C ATOM 2182 CG ASP A 150 1.630 -13.892 -14.997 1.00 0.00 C ATOM 2183 OD1 ASP A 150 1.748 -14.904 -15.722 1.00 0.00 O ATOM 2184 OD2 ASP A 150 1.166 -13.931 -13.839 1.00 0.00 O ATOM 0 H ASP A 150 3.193 -10.817 -17.241 1.00 0.00 H new ATOM 0 HA ASP A 150 1.926 -13.483 -17.481 1.00 0.00 H new ATOM 0 HB2 ASP A 150 3.114 -12.378 -15.285 1.00 0.00 H new ATOM 0 HB3 ASP A 150 1.486 -11.759 -15.090 1.00 0.00 H new ATOM 2189 N GLY A 151 0.487 -11.386 -18.690 1.00 0.00 N ATOM 2190 CA GLY A 151 -0.720 -10.730 -19.155 1.00 0.00 C ATOM 2191 C GLY A 151 -0.450 -9.335 -19.688 1.00 0.00 C ATOM 2192 O GLY A 151 -1.328 -8.474 -19.665 1.00 0.00 O ATOM 0 H GLY A 151 1.215 -11.490 -19.397 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -1.180 -11.333 -19.938 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -1.437 -10.671 -18.336 1.00 0.00 H new ATOM 2196 N GLN A 152 0.770 -9.115 -20.171 1.00 0.00 N ATOM 2197 CA GLN A 152 1.160 -7.822 -20.713 1.00 0.00 C ATOM 2198 C GLN A 152 0.979 -6.717 -19.676 1.00 0.00 C ATOM 2199 O GLN A 152 0.236 -5.760 -19.890 1.00 0.00 O ATOM 2200 CB GLN A 152 0.348 -7.513 -21.972 1.00 0.00 C ATOM 2201 CG GLN A 152 1.099 -7.803 -23.262 1.00 0.00 C ATOM 2202 CD GLN A 152 1.660 -9.212 -23.307 1.00 0.00 C ATOM 2203 OE1 GLN A 152 1.010 -10.136 -23.796 1.00 0.00 O ATOM 2204 NE2 GLN A 152 2.874 -9.384 -22.795 1.00 0.00 N ATOM 0 H GLN A 152 1.506 -9.820 -20.197 1.00 0.00 H new ATOM 0 HA GLN A 152 2.217 -7.865 -20.977 1.00 0.00 H new ATOM 0 HB2 GLN A 152 -0.571 -8.099 -21.956 1.00 0.00 H new ATOM 0 HB3 GLN A 152 0.056 -6.463 -21.958 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.429 -7.656 -24.109 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.914 -7.088 -23.372 1.00 0.00 H new ATOM 0 HE21 GLN A 152 3.378 -8.590 -22.400 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.302 -10.310 -22.797 1.00 0.00 H new ATOM 2213 N ASP A 153 1.668 -6.860 -18.548 1.00 0.00 N ATOM 2214 CA ASP A 153 1.590 -5.879 -17.475 1.00 0.00 C ATOM 2215 C ASP A 153 2.654 -4.800 -17.650 1.00 0.00 C ATOM 2216 O ASP A 153 3.710 -5.047 -18.234 1.00 0.00 O ATOM 2217 CB ASP A 153 1.759 -6.563 -16.116 1.00 0.00 C ATOM 2218 CG ASP A 153 0.458 -7.140 -15.594 1.00 0.00 C ATOM 2219 OD1 ASP A 153 -0.132 -7.998 -16.286 1.00 0.00 O ATOM 2220 OD2 ASP A 153 0.028 -6.735 -14.494 1.00 0.00 O ATOM 0 H ASP A 153 2.287 -7.647 -18.355 1.00 0.00 H new ATOM 0 HA ASP A 153 0.608 -5.408 -17.516 1.00 0.00 H new ATOM 0 HB2 ASP A 153 2.498 -7.360 -16.203 1.00 0.00 H new ATOM 0 HB3 ASP A 153 2.149 -5.843 -15.396 1.00 0.00 H new ATOM 2225 N ALA A 154 2.371 -3.605 -17.141 1.00 0.00 N ATOM 2226 CA ALA A 154 3.305 -2.490 -17.246 1.00 0.00 C ATOM 2227 C ALA A 154 2.953 -1.385 -16.255 1.00 0.00 C ATOM 2228 O ALA A 154 2.129 -0.518 -16.543 1.00 0.00 O ATOM 2229 CB ALA A 154 3.319 -1.944 -18.664 1.00 0.00 C ATOM 0 H ALA A 154 1.503 -3.384 -16.652 1.00 0.00 H new ATOM 0 HA ALA A 154 4.301 -2.859 -17.002 1.00 0.00 H new ATOM 0 HB1 ALA A 154 4.021 -1.112 -18.727 1.00 0.00 H new ATOM 0 HB2 ALA A 154 3.626 -2.730 -19.354 1.00 0.00 H new ATOM 0 HB3 ALA A 154 2.321 -1.597 -18.930 1.00 0.00 H new ATOM 2235 N VAL A 155 3.586 -1.422 -15.086 1.00 0.00 N ATOM 2236 CA VAL A 155 3.342 -0.425 -14.052 1.00 0.00 C ATOM 2237 C VAL A 155 4.378 0.694 -14.110 1.00 0.00 C ATOM 2238 O VAL A 155 5.576 0.438 -14.203 1.00 0.00 O ATOM 2239 CB VAL A 155 3.365 -1.055 -12.647 1.00 0.00 C ATOM 2240 CG1 VAL A 155 2.120 -1.899 -12.419 1.00 0.00 C ATOM 2241 CG2 VAL A 155 4.625 -1.888 -12.458 1.00 0.00 C ATOM 0 H VAL A 155 4.272 -2.133 -14.832 1.00 0.00 H new ATOM 0 HA VAL A 155 2.352 -0.011 -14.241 1.00 0.00 H new ATOM 0 HB VAL A 155 3.371 -0.253 -11.908 1.00 0.00 H new ATOM 0 HG11 VAL A 155 2.154 -2.336 -11.421 1.00 0.00 H new ATOM 0 HG12 VAL A 155 1.233 -1.272 -12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 155 2.079 -2.695 -13.162 1.00 0.00 H new ATOM 0 HG21 VAL A 155 4.625 -2.326 -11.460 1.00 0.00 H new ATOM 0 HG22 VAL A 155 4.651 -2.683 -13.203 1.00 0.00 H new ATOM 0 HG23 VAL A 155 5.503 -1.252 -12.575 1.00 0.00 H new ATOM 2251 N PHE A 156 3.905 1.935 -14.051 1.00 0.00 N ATOM 2252 CA PHE A 156 4.790 3.094 -14.095 1.00 0.00 C ATOM 2253 C PHE A 156 4.665 3.923 -12.820 1.00 0.00 C ATOM 2254 O PHE A 156 3.742 4.725 -12.677 1.00 0.00 O ATOM 2255 CB PHE A 156 4.481 3.966 -15.315 1.00 0.00 C ATOM 2256 CG PHE A 156 3.024 4.003 -15.677 1.00 0.00 C ATOM 2257 CD1 PHE A 156 2.421 2.909 -16.274 1.00 0.00 C ATOM 2258 CD2 PHE A 156 2.259 5.129 -15.420 1.00 0.00 C ATOM 2259 CE1 PHE A 156 1.082 2.937 -16.608 1.00 0.00 C ATOM 2260 CE2 PHE A 156 0.919 5.163 -15.752 1.00 0.00 C ATOM 2261 CZ PHE A 156 0.329 4.065 -16.346 1.00 0.00 C ATOM 0 H PHE A 156 2.914 2.164 -13.973 1.00 0.00 H new ATOM 0 HA PHE A 156 5.814 2.728 -14.174 1.00 0.00 H new ATOM 0 HB2 PHE A 156 4.824 4.982 -15.120 1.00 0.00 H new ATOM 0 HB3 PHE A 156 5.049 3.596 -16.168 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.005 2.024 -16.481 1.00 0.00 H new ATOM 0 HD2 PHE A 156 2.716 5.990 -14.955 1.00 0.00 H new ATOM 0 HE1 PHE A 156 0.623 2.077 -17.074 1.00 0.00 H new ATOM 0 HE2 PHE A 156 0.333 6.047 -15.547 1.00 0.00 H new ATOM 0 HZ PHE A 156 -0.719 4.088 -16.605 1.00 0.00 H new ATOM 2271 N LEU A 157 5.599 3.722 -11.896 1.00 0.00 N ATOM 2272 CA LEU A 157 5.594 4.449 -10.631 1.00 0.00 C ATOM 2273 C LEU A 157 6.686 5.514 -10.610 1.00 0.00 C ATOM 2274 O LEU A 157 7.567 5.532 -11.470 1.00 0.00 O ATOM 2275 CB LEU A 157 5.788 3.482 -9.463 1.00 0.00 C ATOM 2276 CG LEU A 157 4.890 2.240 -9.494 1.00 0.00 C ATOM 2277 CD1 LEU A 157 5.725 0.980 -9.665 1.00 0.00 C ATOM 2278 CD2 LEU A 157 4.050 2.157 -8.228 1.00 0.00 C ATOM 0 H LEU A 157 6.369 3.062 -11.999 1.00 0.00 H new ATOM 0 HA LEU A 157 4.628 4.943 -10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 157 6.829 3.159 -9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 157 5.607 4.019 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 157 4.218 2.324 -10.348 1.00 0.00 H new ATOM 0 HD11 LEU A 157 5.070 0.109 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 157 6.282 1.037 -10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 157 6.423 0.890 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 157 3.419 1.269 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 157 4.706 2.097 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 157 3.423 3.045 -8.149 1.00 0.00 H new ATOM 2290 N ARG A 158 6.623 6.400 -9.622 1.00 0.00 N ATOM 2291 CA ARG A 158 7.608 7.469 -9.489 1.00 0.00 C ATOM 2292 C ARG A 158 8.172 7.512 -8.072 1.00 0.00 C ATOM 2293 O ARG A 158 7.493 7.927 -7.134 1.00 0.00 O ATOM 2294 CB ARG A 158 6.979 8.819 -9.843 1.00 0.00 C ATOM 2295 CG ARG A 158 8.002 9.924 -10.066 1.00 0.00 C ATOM 2296 CD ARG A 158 7.921 10.993 -8.987 1.00 0.00 C ATOM 2297 NE ARG A 158 7.564 12.299 -9.536 1.00 0.00 N ATOM 2298 CZ ARG A 158 7.094 13.308 -8.807 1.00 0.00 C ATOM 2299 NH1 ARG A 158 6.921 13.165 -7.498 1.00 0.00 N ATOM 2300 NH2 ARG A 158 6.795 14.463 -9.386 1.00 0.00 N ATOM 0 H ARG A 158 5.901 6.400 -8.902 1.00 0.00 H new ATOM 0 HA ARG A 158 8.425 7.266 -10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 158 6.376 8.705 -10.744 1.00 0.00 H new ATOM 0 HB3 ARG A 158 6.302 9.117 -9.042 1.00 0.00 H new ATOM 0 HG2 ARG A 158 9.004 9.495 -10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 158 7.838 10.380 -11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 158 7.183 10.699 -8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 158 8.881 11.065 -8.475 1.00 0.00 H new ATOM 0 HE ARG A 158 7.682 12.446 -10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 158 7.149 12.279 -7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 158 6.560 13.941 -6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 158 6.925 14.578 -10.391 1.00 0.00 H new ATOM 0 HH22 ARG A 158 6.435 15.236 -8.826 1.00 0.00 H new ATOM 2314 N ALA A 159 9.420 7.081 -7.926 1.00 0.00 N ATOM 2315 CA ALA A 159 10.080 7.069 -6.626 1.00 0.00 C ATOM 2316 C ALA A 159 10.147 8.471 -6.030 1.00 0.00 C ATOM 2317 O ALA A 159 9.788 9.452 -6.681 1.00 0.00 O ATOM 2318 CB ALA A 159 11.477 6.479 -6.748 1.00 0.00 C ATOM 0 H ALA A 159 9.996 6.735 -8.693 1.00 0.00 H new ATOM 0 HA ALA A 159 9.491 6.445 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 159 11.958 6.477 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 159 11.409 5.457 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 159 12.067 7.080 -7.440 1.00 0.00 H new ATOM 2324 N LYS A 160 10.608 8.556 -4.786 1.00 0.00 N ATOM 2325 CA LYS A 160 10.724 9.838 -4.099 1.00 0.00 C ATOM 2326 C LYS A 160 12.111 10.442 -4.297 1.00 0.00 C ATOM 2327 O LYS A 160 12.273 11.662 -4.306 1.00 0.00 O ATOM 2328 CB LYS A 160 10.437 9.667 -2.607 1.00 0.00 C ATOM 2329 CG LYS A 160 11.380 8.699 -1.910 1.00 0.00 C ATOM 2330 CD LYS A 160 10.802 7.292 -1.861 1.00 0.00 C ATOM 2331 CE LYS A 160 10.341 6.927 -0.460 1.00 0.00 C ATOM 2332 NZ LYS A 160 8.939 7.362 -0.205 1.00 0.00 N ATOM 0 H LYS A 160 10.907 7.753 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 160 9.989 10.519 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 160 10.504 10.640 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.413 9.317 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 160 12.337 8.682 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 160 11.577 9.048 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 160 9.962 7.218 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 160 11.554 6.577 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 160 10.417 5.848 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 160 11.003 7.389 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 8.762 7.379 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 8.794 8.314 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 8.281 6.697 -0.659 1.00 0.00 H new ATOM 2346 N ASP A 161 13.112 9.579 -4.453 1.00 0.00 N ATOM 2347 CA ASP A 161 14.486 10.029 -4.650 1.00 0.00 C ATOM 2348 C ASP A 161 15.057 9.481 -5.953 1.00 0.00 C ATOM 2349 O ASP A 161 14.580 8.473 -6.477 1.00 0.00 O ATOM 2350 CB ASP A 161 15.359 9.595 -3.471 1.00 0.00 C ATOM 2351 CG ASP A 161 15.536 10.698 -2.446 1.00 0.00 C ATOM 2352 OD1 ASP A 161 14.624 11.543 -2.320 1.00 0.00 O ATOM 2353 OD2 ASP A 161 16.585 10.718 -1.769 1.00 0.00 O ATOM 0 H ASP A 161 12.997 8.566 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 161 14.482 11.117 -4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 161 14.910 8.725 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 161 16.337 9.286 -3.841 1.00 0.00 H new ATOM 2358 N GLU A 162 16.081 10.151 -6.472 1.00 0.00 N ATOM 2359 CA GLU A 162 16.717 9.733 -7.717 1.00 0.00 C ATOM 2360 C GLU A 162 17.520 8.450 -7.519 1.00 0.00 C ATOM 2361 O GLU A 162 17.476 7.544 -8.353 1.00 0.00 O ATOM 2362 CB GLU A 162 17.628 10.841 -8.249 1.00 0.00 C ATOM 2363 CG GLU A 162 18.666 11.317 -7.245 1.00 0.00 C ATOM 2364 CD GLU A 162 20.043 10.744 -7.514 1.00 0.00 C ATOM 2365 OE1 GLU A 162 20.550 10.922 -8.641 1.00 0.00 O ATOM 2366 OE2 GLU A 162 20.615 10.117 -6.597 1.00 0.00 O ATOM 0 H GLU A 162 16.488 10.986 -6.050 1.00 0.00 H new ATOM 0 HA GLU A 162 15.930 9.538 -8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.138 10.481 -9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 162 17.014 11.689 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 162 18.718 12.405 -7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 162 18.350 11.036 -6.240 1.00 0.00 H new ATOM 2373 N ALA A 163 18.250 8.376 -6.412 1.00 0.00 N ATOM 2374 CA ALA A 163 19.059 7.201 -6.109 1.00 0.00 C ATOM 2375 C ALA A 163 18.179 6.007 -5.766 1.00 0.00 C ATOM 2376 O ALA A 163 18.482 4.873 -6.137 1.00 0.00 O ATOM 2377 CB ALA A 163 20.020 7.499 -4.968 1.00 0.00 C ATOM 0 H ALA A 163 18.298 9.115 -5.710 1.00 0.00 H new ATOM 0 HA ALA A 163 19.639 6.950 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 163 20.617 6.612 -4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 163 20.679 8.320 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 163 19.454 7.779 -4.079 1.00 0.00 H new ATOM 2383 N SER A 164 17.085 6.268 -5.059 1.00 0.00 N ATOM 2384 CA SER A 164 16.159 5.211 -4.672 1.00 0.00 C ATOM 2385 C SER A 164 15.522 4.578 -5.902 1.00 0.00 C ATOM 2386 O SER A 164 15.417 3.356 -6.001 1.00 0.00 O ATOM 2387 CB SER A 164 15.075 5.765 -3.746 1.00 0.00 C ATOM 2388 OG SER A 164 14.161 6.581 -4.460 1.00 0.00 O ATOM 0 H SER A 164 16.818 7.200 -4.743 1.00 0.00 H new ATOM 0 HA SER A 164 16.720 4.444 -4.138 1.00 0.00 H new ATOM 0 HB2 SER A 164 14.540 4.941 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 164 15.537 6.344 -2.947 1.00 0.00 H new ATOM 0 HG SER A 164 14.654 7.170 -5.068 1.00 0.00 H new ATOM 2394 N ALA A 165 15.103 5.420 -6.843 1.00 0.00 N ATOM 2395 CA ALA A 165 14.481 4.942 -8.070 1.00 0.00 C ATOM 2396 C ALA A 165 15.454 4.097 -8.879 1.00 0.00 C ATOM 2397 O ALA A 165 15.097 3.037 -9.392 1.00 0.00 O ATOM 2398 CB ALA A 165 13.981 6.115 -8.903 1.00 0.00 C ATOM 0 H ALA A 165 15.184 6.435 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 165 13.631 4.317 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 165 13.519 5.742 -9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 165 13.247 6.681 -8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 165 14.819 6.763 -9.159 1.00 0.00 H new ATOM 2404 N ARG A 166 16.688 4.572 -8.982 1.00 0.00 N ATOM 2405 CA ARG A 166 17.718 3.858 -9.723 1.00 0.00 C ATOM 2406 C ARG A 166 18.097 2.571 -9.003 1.00 0.00 C ATOM 2407 O ARG A 166 18.260 1.523 -9.627 1.00 0.00 O ATOM 2408 CB ARG A 166 18.951 4.747 -9.907 1.00 0.00 C ATOM 2409 CG ARG A 166 20.099 4.064 -10.633 1.00 0.00 C ATOM 2410 CD ARG A 166 21.448 4.546 -10.123 1.00 0.00 C ATOM 2411 NE ARG A 166 22.390 4.795 -11.212 1.00 0.00 N ATOM 2412 CZ ARG A 166 23.480 5.549 -11.092 1.00 0.00 C ATOM 2413 NH1 ARG A 166 23.772 6.128 -9.933 1.00 0.00 N ATOM 2414 NH2 ARG A 166 24.282 5.723 -12.133 1.00 0.00 N ATOM 0 H ARG A 166 17.000 5.448 -8.562 1.00 0.00 H new ATOM 0 HA ARG A 166 17.323 3.601 -10.706 1.00 0.00 H new ATOM 0 HB2 ARG A 166 18.663 5.640 -10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 166 19.298 5.077 -8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 166 20.024 2.985 -10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 166 20.022 4.260 -11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 166 21.311 5.461 -9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 166 21.866 3.801 -9.446 1.00 0.00 H new ATOM 0 HE ARG A 166 22.201 4.366 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 166 23.159 5.996 -9.128 1.00 0.00 H new ATOM 0 HH12 ARG A 166 24.609 6.705 -9.848 1.00 0.00 H new ATOM 0 HH21 ARG A 166 24.063 5.279 -13.025 1.00 0.00 H new ATOM 0 HH22 ARG A 166 25.118 6.301 -12.042 1.00 0.00 H new ATOM 2428 N SER A 167 18.228 2.654 -7.685 1.00 0.00 N ATOM 2429 CA SER A 167 18.576 1.491 -6.883 1.00 0.00 C ATOM 2430 C SER A 167 17.446 0.470 -6.919 1.00 0.00 C ATOM 2431 O SER A 167 17.684 -0.739 -6.904 1.00 0.00 O ATOM 2432 CB SER A 167 18.863 1.904 -5.438 1.00 0.00 C ATOM 2433 OG SER A 167 17.695 2.400 -4.807 1.00 0.00 O ATOM 0 H SER A 167 18.099 3.513 -7.151 1.00 0.00 H new ATOM 0 HA SER A 167 19.475 1.039 -7.302 1.00 0.00 H new ATOM 0 HB2 SER A 167 19.245 1.048 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 167 19.641 2.668 -5.422 1.00 0.00 H new ATOM 0 HG SER A 167 17.046 2.672 -5.489 1.00 0.00 H new ATOM 2439 N TRP A 168 16.214 0.966 -6.973 1.00 0.00 N ATOM 2440 CA TRP A 168 15.045 0.099 -7.016 1.00 0.00 C ATOM 2441 C TRP A 168 14.915 -0.565 -8.379 1.00 0.00 C ATOM 2442 O TRP A 168 14.756 -1.782 -8.471 1.00 0.00 O ATOM 2443 CB TRP A 168 13.779 0.895 -6.695 1.00 0.00 C ATOM 2444 CG TRP A 168 13.329 0.735 -5.277 1.00 0.00 C ATOM 2445 CD1 TRP A 168 13.346 1.687 -4.298 1.00 0.00 C ATOM 2446 CD2 TRP A 168 12.801 -0.452 -4.676 1.00 0.00 C ATOM 2447 NE1 TRP A 168 12.857 1.164 -3.124 1.00 0.00 N ATOM 2448 CE2 TRP A 168 12.516 -0.149 -3.331 1.00 0.00 C ATOM 2449 CE3 TRP A 168 12.540 -1.742 -5.146 1.00 0.00 C ATOM 2450 CZ2 TRP A 168 11.983 -1.089 -2.454 1.00 0.00 C ATOM 2451 CZ3 TRP A 168 12.012 -2.673 -4.273 1.00 0.00 C ATOM 2452 CH2 TRP A 168 11.738 -2.344 -2.940 1.00 0.00 C ATOM 0 H TRP A 168 16.001 1.963 -6.988 1.00 0.00 H new ATOM 0 HA TRP A 168 15.171 -0.680 -6.264 1.00 0.00 H new ATOM 0 HB2 TRP A 168 13.960 1.951 -6.895 1.00 0.00 H new ATOM 0 HB3 TRP A 168 12.978 0.577 -7.362 1.00 0.00 H new ATOM 0 HD1 TRP A 168 13.693 2.702 -4.427 1.00 0.00 H new ATOM 0 HE1 TRP A 168 12.763 1.670 -2.243 1.00 0.00 H new ATOM 0 HE3 TRP A 168 12.747 -2.006 -6.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 168 11.770 -0.836 -1.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 168 11.807 -3.673 -4.625 1.00 0.00 H new ATOM 0 HH2 TRP A 168 11.325 -3.095 -2.283 1.00 0.00 H new ATOM 2463 N ALA A 169 14.986 0.234 -9.439 1.00 0.00 N ATOM 2464 CA ALA A 169 14.878 -0.296 -10.791 1.00 0.00 C ATOM 2465 C ALA A 169 15.928 -1.370 -11.030 1.00 0.00 C ATOM 2466 O ALA A 169 15.620 -2.479 -11.471 1.00 0.00 O ATOM 2467 CB ALA A 169 15.022 0.824 -11.812 1.00 0.00 C ATOM 0 H ALA A 169 15.117 1.244 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 169 13.893 -0.747 -10.906 1.00 0.00 H new ATOM 0 HB1 ALA A 169 14.939 0.412 -12.818 1.00 0.00 H new ATOM 0 HB2 ALA A 169 14.235 1.562 -11.656 1.00 0.00 H new ATOM 0 HB3 ALA A 169 15.995 1.301 -11.694 1.00 0.00 H new ATOM 2473 N GLY A 170 17.170 -1.034 -10.723 1.00 0.00 N ATOM 2474 CA GLY A 170 18.256 -1.971 -10.902 1.00 0.00 C ATOM 2475 C GLY A 170 18.062 -3.248 -10.113 1.00 0.00 C ATOM 2476 O GLY A 170 18.340 -4.339 -10.610 1.00 0.00 O ATOM 0 H GLY A 170 17.446 -0.125 -10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 170 18.350 -2.214 -11.960 1.00 0.00 H new ATOM 0 HA3 GLY A 170 19.191 -1.500 -10.598 1.00 0.00 H new ATOM 2480 N ALA A 171 17.587 -3.120 -8.878 1.00 0.00 N ATOM 2481 CA ALA A 171 17.374 -4.289 -8.040 1.00 0.00 C ATOM 2482 C ALA A 171 16.242 -5.139 -8.568 1.00 0.00 C ATOM 2483 O ALA A 171 16.346 -6.365 -8.612 1.00 0.00 O ATOM 2484 CB ALA A 171 17.126 -3.889 -6.595 1.00 0.00 C ATOM 0 H ALA A 171 17.346 -2.230 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 171 18.284 -4.888 -8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 171 16.970 -4.783 -5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 171 17.989 -3.341 -6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 171 16.241 -3.255 -6.540 1.00 0.00 H new ATOM 2490 N ILE A 172 15.179 -4.493 -9.006 1.00 0.00 N ATOM 2491 CA ILE A 172 14.062 -5.219 -9.572 1.00 0.00 C ATOM 2492 C ILE A 172 14.539 -5.952 -10.818 1.00 0.00 C ATOM 2493 O ILE A 172 13.961 -6.956 -11.233 1.00 0.00 O ATOM 2494 CB ILE A 172 12.904 -4.279 -9.940 1.00 0.00 C ATOM 2495 CG1 ILE A 172 12.494 -3.443 -8.727 1.00 0.00 C ATOM 2496 CG2 ILE A 172 11.717 -5.076 -10.469 1.00 0.00 C ATOM 2497 CD1 ILE A 172 12.100 -2.025 -9.073 1.00 0.00 C ATOM 0 H ILE A 172 15.066 -3.480 -8.981 1.00 0.00 H new ATOM 0 HA ILE A 172 13.692 -5.924 -8.828 1.00 0.00 H new ATOM 0 HB ILE A 172 13.240 -3.604 -10.727 1.00 0.00 H new ATOM 0 HG12 ILE A 172 11.658 -3.931 -8.226 1.00 0.00 H new ATOM 0 HG13 ILE A 172 13.321 -3.418 -8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.906 -4.394 -10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 172 12.018 -5.631 -11.357 1.00 0.00 H new ATOM 0 HG23 ILE A 172 11.377 -5.774 -9.704 1.00 0.00 H new ATOM 0 HD11 ILE A 172 11.822 -1.493 -8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 172 12.941 -1.519 -9.547 1.00 0.00 H new ATOM 0 HD13 ILE A 172 11.253 -2.040 -9.758 1.00 0.00 H new ATOM 2509 N GLN A 173 15.622 -5.436 -11.395 1.00 0.00 N ATOM 2510 CA GLN A 173 16.213 -6.030 -12.587 1.00 0.00 C ATOM 2511 C GLN A 173 17.069 -7.232 -12.211 1.00 0.00 C ATOM 2512 O GLN A 173 17.190 -8.187 -12.978 1.00 0.00 O ATOM 2513 CB GLN A 173 17.061 -4.997 -13.332 1.00 0.00 C ATOM 2514 CG GLN A 173 17.455 -5.431 -14.734 1.00 0.00 C ATOM 2515 CD GLN A 173 16.747 -4.635 -15.813 1.00 0.00 C ATOM 2516 OE1 GLN A 173 15.608 -4.932 -16.172 1.00 0.00 O ATOM 2517 NE2 GLN A 173 17.421 -3.617 -16.337 1.00 0.00 N ATOM 0 H GLN A 173 16.107 -4.606 -11.054 1.00 0.00 H new ATOM 0 HA GLN A 173 15.408 -6.363 -13.242 1.00 0.00 H new ATOM 0 HB2 GLN A 173 16.507 -4.060 -13.393 1.00 0.00 H new ATOM 0 HB3 GLN A 173 17.964 -4.797 -12.755 1.00 0.00 H new ATOM 0 HG2 GLN A 173 18.533 -5.321 -14.855 1.00 0.00 H new ATOM 0 HG3 GLN A 173 17.227 -6.489 -14.860 1.00 0.00 H new ATOM 0 HE21 GLN A 173 18.364 -3.407 -16.009 1.00 0.00 H new ATOM 0 HE22 GLN A 173 16.996 -3.046 -17.067 1.00 0.00 H new ATOM 2526 N ALA A 174 17.651 -7.179 -11.018 1.00 0.00 N ATOM 2527 CA ALA A 174 18.488 -8.267 -10.531 1.00 0.00 C ATOM 2528 C ALA A 174 17.652 -9.519 -10.302 1.00 0.00 C ATOM 2529 O ALA A 174 18.022 -10.613 -10.727 1.00 0.00 O ATOM 2530 CB ALA A 174 19.198 -7.857 -9.249 1.00 0.00 C ATOM 0 H ALA A 174 17.558 -6.395 -10.372 1.00 0.00 H new ATOM 0 HA ALA A 174 19.242 -8.490 -11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 174 19.819 -8.681 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 174 19.825 -6.987 -9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 174 18.459 -7.610 -8.487 1.00 0.00 H new ATOM 2536 N GLN A 175 16.515 -9.345 -9.636 1.00 0.00 N ATOM 2537 CA GLN A 175 15.616 -10.457 -9.361 1.00 0.00 C ATOM 2538 C GLN A 175 14.934 -10.914 -10.646 1.00 0.00 C ATOM 2539 O GLN A 175 14.715 -12.107 -10.857 1.00 0.00 O ATOM 2540 CB GLN A 175 14.566 -10.052 -8.325 1.00 0.00 C ATOM 2541 CG GLN A 175 15.142 -9.811 -6.938 1.00 0.00 C ATOM 2542 CD GLN A 175 15.771 -11.056 -6.344 1.00 0.00 C ATOM 2543 OE1 GLN A 175 16.911 -11.029 -5.879 1.00 0.00 O ATOM 2544 NE2 GLN A 175 15.028 -12.157 -6.355 1.00 0.00 N ATOM 0 H GLN A 175 16.196 -8.445 -9.278 1.00 0.00 H new ATOM 0 HA GLN A 175 16.202 -11.284 -8.959 1.00 0.00 H new ATOM 0 HB2 GLN A 175 14.064 -9.146 -8.664 1.00 0.00 H new ATOM 0 HB3 GLN A 175 13.808 -10.833 -8.264 1.00 0.00 H new ATOM 0 HG2 GLN A 175 15.890 -9.020 -6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 175 14.351 -9.457 -6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 175 14.088 -12.134 -6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 175 15.397 -13.025 -5.968 1.00 0.00 H new ATOM 2553 N ILE A 176 14.608 -9.952 -11.504 1.00 0.00 N ATOM 2554 CA ILE A 176 13.958 -10.248 -12.776 1.00 0.00 C ATOM 2555 C ILE A 176 14.978 -10.645 -13.844 1.00 0.00 C ATOM 2556 O ILE A 176 14.607 -11.039 -14.948 1.00 0.00 O ATOM 2557 CB ILE A 176 13.150 -9.038 -13.278 1.00 0.00 C ATOM 2558 CG1 ILE A 176 12.088 -8.645 -12.250 1.00 0.00 C ATOM 2559 CG2 ILE A 176 12.502 -9.342 -14.623 1.00 0.00 C ATOM 2560 CD1 ILE A 176 11.489 -7.279 -12.496 1.00 0.00 C ATOM 0 H ILE A 176 14.783 -8.960 -11.341 1.00 0.00 H new ATOM 0 HA ILE A 176 13.283 -11.086 -12.601 1.00 0.00 H new ATOM 0 HB ILE A 176 13.834 -8.200 -13.411 1.00 0.00 H new ATOM 0 HG12 ILE A 176 11.292 -9.389 -12.259 1.00 0.00 H new ATOM 0 HG13 ILE A 176 12.532 -8.665 -11.255 1.00 0.00 H new ATOM 0 HG21 ILE A 176 11.936 -8.473 -14.959 1.00 0.00 H new ATOM 0 HG22 ILE A 176 13.275 -9.576 -15.355 1.00 0.00 H new ATOM 0 HG23 ILE A 176 11.831 -10.194 -14.519 1.00 0.00 H new ATOM 0 HD11 ILE A 176 10.744 -7.065 -11.730 1.00 0.00 H new ATOM 0 HD12 ILE A 176 12.275 -6.525 -12.458 1.00 0.00 H new ATOM 0 HD13 ILE A 176 11.016 -7.261 -13.478 1.00 0.00 H new ATOM 2572 N GLY A 177 16.263 -10.544 -13.509 1.00 0.00 N ATOM 2573 CA GLY A 177 17.303 -10.902 -14.456 1.00 0.00 C ATOM 2574 C GLY A 177 17.663 -12.373 -14.387 1.00 0.00 C ATOM 2575 O GLY A 177 18.787 -12.759 -14.703 1.00 0.00 O ATOM 0 H GLY A 177 16.600 -10.222 -12.602 1.00 0.00 H new ATOM 0 HA2 GLY A 177 16.972 -10.658 -15.465 1.00 0.00 H new ATOM 0 HA3 GLY A 177 18.192 -10.303 -14.259 1.00 0.00 H new