USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 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 83 HIS : no HD1:sc=-0.000813 X(o=0.01,f=0.1) USER MOD Set 1.2: A 100 THR OG1 : rot -150:sc= 0.011 USER MOD Set 2.1: A 65 LYS NZ :NH3+ -142:sc= 0.913 (180deg=-0.367) USER MOD Set 2.2: A 68 SER OG : rot -102:sc= 0.615 USER MOD Set 3.1: A 62 TYR OH : rot 15:sc= -1.88! USER MOD Set 3.2: A 79 HIS : no HD1:sc= 0.232 K(o=-1.6,f=-3.5) USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= -0.385 USER MOD Set 4.2: A 11 GLN : amide:sc=-0.00355 K(o=-0.39,f=-1.3) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 32 SER OG : rot 29:sc= 0.279 USER MOD Single : A 33 TYR OH : rot -158:sc= 1.22 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-2.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -41:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.11) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= 0.555 K(o=0.55,f=-0.41) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0811 USER MOD Single : A 77 TYR OH : rot 30:sc= -0.0417 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 92:sc= 1.05 USER MOD Single : A 88 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.17) USER MOD Single : A 92 SER OG : rot -43:sc= 0.0699 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 98 ASN : amide:sc= 0.444 K(o=0.44,f=-6!) USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 0.375 (180deg=0.214) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 8 0.518 12.328 -3.189 1.00 0.00 N ATOM 121 CA THR A 8 1.240 11.094 -3.417 1.00 0.00 C ATOM 122 C THR A 8 0.945 10.121 -2.279 1.00 0.00 C ATOM 123 O THR A 8 0.369 10.515 -1.260 1.00 0.00 O ATOM 124 CB THR A 8 2.759 11.338 -3.517 1.00 0.00 C ATOM 125 OG1 THR A 8 3.237 11.952 -2.314 1.00 0.00 O ATOM 126 CG2 THR A 8 3.088 12.228 -4.707 1.00 0.00 C ATOM 0 HA THR A 8 0.908 10.672 -4.366 1.00 0.00 H new ATOM 0 HB THR A 8 3.250 10.375 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.203 12.102 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.165 12.386 -4.757 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.749 11.748 -5.625 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.586 13.189 -4.593 1.00 0.00 H new ATOM 134 N VAL A 9 1.332 8.862 -2.446 1.00 0.00 N ATOM 135 CA VAL A 9 1.074 7.841 -1.433 1.00 0.00 C ATOM 136 C VAL A 9 1.658 8.240 -0.072 1.00 0.00 C ATOM 137 O VAL A 9 1.007 8.075 0.957 1.00 0.00 O ATOM 138 CB VAL A 9 1.644 6.466 -1.853 1.00 0.00 C ATOM 139 CG1 VAL A 9 1.341 5.406 -0.802 1.00 0.00 C ATOM 140 CG2 VAL A 9 1.092 6.044 -3.207 1.00 0.00 C ATOM 0 H VAL A 9 1.825 8.522 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.009 7.759 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 9 2.726 6.564 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.753 4.449 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.791 5.696 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.262 5.314 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.506 5.074 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.006 5.972 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.368 6.783 -3.959 1.00 0.00 H new ATOM 150 N GLU A 10 2.870 8.793 -0.075 1.00 0.00 N ATOM 151 CA GLU A 10 3.541 9.168 1.169 1.00 0.00 C ATOM 152 C GLU A 10 2.837 10.344 1.848 1.00 0.00 C ATOM 153 O GLU A 10 2.629 10.335 3.064 1.00 0.00 O ATOM 154 CB GLU A 10 5.023 9.493 0.921 1.00 0.00 C ATOM 155 CG GLU A 10 5.263 10.589 -0.111 1.00 0.00 C ATOM 156 CD GLU A 10 6.735 10.864 -0.348 1.00 0.00 C ATOM 157 OE1 GLU A 10 7.409 10.021 -0.978 1.00 0.00 O ATOM 158 OE2 GLU A 10 7.222 11.935 0.074 1.00 0.00 O ATOM 0 H GLU A 10 3.405 8.991 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 10 3.488 8.312 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.479 9.793 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.532 8.586 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.796 10.302 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.776 11.506 0.220 1.00 0.00 H new ATOM 165 N GLN A 11 2.446 11.337 1.058 1.00 0.00 N ATOM 166 CA GLN A 11 1.789 12.525 1.591 1.00 0.00 C ATOM 167 C GLN A 11 0.411 12.176 2.133 1.00 0.00 C ATOM 168 O GLN A 11 -0.007 12.680 3.178 1.00 0.00 O ATOM 169 CB GLN A 11 1.668 13.595 0.505 1.00 0.00 C ATOM 170 CG GLN A 11 3.007 14.064 -0.035 1.00 0.00 C ATOM 171 CD GLN A 11 2.868 15.006 -1.213 1.00 0.00 C ATOM 172 OE1 GLN A 11 1.902 14.934 -1.976 1.00 0.00 O ATOM 173 NE2 GLN A 11 3.837 15.891 -1.370 1.00 0.00 N ATOM 0 H GLN A 11 2.572 11.343 0.046 1.00 0.00 H new ATOM 0 HA GLN A 11 2.396 12.916 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.071 13.201 -0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.128 14.451 0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.559 14.564 0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.596 13.197 -0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.618 15.914 -0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.804 16.551 -2.147 1.00 0.00 H new ATOM 182 N TRP A 12 -0.285 11.301 1.423 1.00 0.00 N ATOM 183 CA TRP A 12 -1.619 10.887 1.822 1.00 0.00 C ATOM 184 C TRP A 12 -1.558 9.990 3.054 1.00 0.00 C ATOM 185 O TRP A 12 -2.396 10.098 3.951 1.00 0.00 O ATOM 186 CB TRP A 12 -2.308 10.156 0.670 1.00 0.00 C ATOM 187 CG TRP A 12 -3.741 9.820 0.943 1.00 0.00 C ATOM 188 CD1 TRP A 12 -4.817 10.638 0.766 1.00 0.00 C ATOM 189 CD2 TRP A 12 -4.257 8.576 1.434 1.00 0.00 C ATOM 190 NE1 TRP A 12 -5.971 9.982 1.118 1.00 0.00 N ATOM 191 CE2 TRP A 12 -5.652 8.715 1.533 1.00 0.00 C ATOM 192 CE3 TRP A 12 -3.670 7.361 1.800 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -6.472 7.681 1.982 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -4.485 6.337 2.247 1.00 0.00 C ATOM 195 CH2 TRP A 12 -5.872 6.505 2.336 1.00 0.00 C ATOM 0 H TRP A 12 0.054 10.864 0.566 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.197 11.777 2.073 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.253 10.775 -0.226 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.763 9.237 0.457 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.769 11.654 0.402 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.912 10.374 1.077 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.601 7.225 1.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -7.543 7.805 2.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.045 5.393 2.532 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.481 5.687 2.692 1.00 0.00 H new ATOM 206 N LEU A 13 -0.553 9.119 3.095 1.00 0.00 N ATOM 207 CA LEU A 13 -0.401 8.168 4.189 1.00 0.00 C ATOM 208 C LEU A 13 -0.292 8.896 5.525 1.00 0.00 C ATOM 209 O LEU A 13 -0.974 8.547 6.487 1.00 0.00 O ATOM 210 CB LEU A 13 0.841 7.298 3.964 1.00 0.00 C ATOM 211 CG LEU A 13 0.688 5.815 4.321 1.00 0.00 C ATOM 212 CD1 LEU A 13 0.458 5.626 5.814 1.00 0.00 C ATOM 213 CD2 LEU A 13 -0.450 5.197 3.522 1.00 0.00 C ATOM 0 H LEU A 13 0.170 9.053 2.379 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.284 7.529 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.129 7.372 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.662 7.711 4.550 1.00 0.00 H new ATOM 0 HG LEU A 13 1.617 5.307 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.354 4.564 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.306 6.030 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.451 6.149 6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.549 4.144 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.380 5.717 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.238 5.287 2.457 1.00 0.00 H new ATOM 225 N ASN A 14 0.557 9.913 5.576 1.00 0.00 N ATOM 226 CA ASN A 14 0.732 10.693 6.798 1.00 0.00 C ATOM 227 C ASN A 14 -0.586 11.338 7.215 1.00 0.00 C ATOM 228 O ASN A 14 -0.960 11.314 8.388 1.00 0.00 O ATOM 229 CB ASN A 14 1.795 11.777 6.610 1.00 0.00 C ATOM 230 CG ASN A 14 2.042 12.563 7.886 1.00 0.00 C ATOM 231 OD1 ASN A 14 2.002 12.017 8.990 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.283 13.854 7.745 1.00 0.00 N ATOM 0 H ASN A 14 1.133 10.218 4.792 1.00 0.00 H new ATOM 0 HA ASN A 14 1.062 10.011 7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.727 11.317 6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.481 12.459 5.820 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.444 14.436 8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.308 14.269 6.814 1.00 0.00 H new ATOM 239 N ARG A 15 -1.302 11.886 6.242 1.00 0.00 N ATOM 240 CA ARG A 15 -2.560 12.571 6.511 1.00 0.00 C ATOM 241 C ARG A 15 -3.627 11.587 6.992 1.00 0.00 C ATOM 242 O ARG A 15 -4.481 11.939 7.807 1.00 0.00 O ATOM 243 CB ARG A 15 -3.023 13.322 5.258 1.00 0.00 C ATOM 244 CG ARG A 15 -4.320 14.102 5.435 1.00 0.00 C ATOM 245 CD ARG A 15 -4.313 14.947 6.703 1.00 0.00 C ATOM 246 NE ARG A 15 -3.110 15.774 6.829 1.00 0.00 N ATOM 247 CZ ARG A 15 -3.130 17.099 6.958 1.00 0.00 C ATOM 248 NH1 ARG A 15 -4.277 17.763 6.896 1.00 0.00 N ATOM 249 NH2 ARG A 15 -1.995 17.759 7.141 1.00 0.00 N ATOM 0 H ARG A 15 -1.033 11.870 5.258 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.401 13.295 7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.237 14.012 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.152 12.606 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.475 14.748 4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.159 13.407 5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.193 15.590 6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.390 14.292 7.571 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.203 15.307 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.151 17.258 6.749 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.285 18.778 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.111 17.252 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.006 18.774 7.240 1.00 0.00 H new ATOM 263 N TRP A 16 -3.564 10.357 6.499 1.00 0.00 N ATOM 264 CA TRP A 16 -4.464 9.302 6.948 1.00 0.00 C ATOM 265 C TRP A 16 -4.302 9.088 8.452 1.00 0.00 C ATOM 266 O TRP A 16 -5.286 8.961 9.184 1.00 0.00 O ATOM 267 CB TRP A 16 -4.176 8.007 6.179 1.00 0.00 C ATOM 268 CG TRP A 16 -5.100 6.878 6.515 1.00 0.00 C ATOM 269 CD1 TRP A 16 -6.459 6.858 6.375 1.00 0.00 C ATOM 270 CD2 TRP A 16 -4.729 5.593 7.029 1.00 0.00 C ATOM 271 NE1 TRP A 16 -6.956 5.641 6.774 1.00 0.00 N ATOM 272 CE2 TRP A 16 -5.914 4.848 7.182 1.00 0.00 C ATOM 273 CE3 TRP A 16 -3.512 5.003 7.376 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -5.914 3.542 7.664 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -3.513 3.707 7.858 1.00 0.00 C ATOM 276 CH2 TRP A 16 -4.707 2.989 7.998 1.00 0.00 C ATOM 0 H TRP A 16 -2.897 10.064 5.785 1.00 0.00 H new ATOM 0 HA TRP A 16 -5.495 9.597 6.750 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.241 8.210 5.110 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.151 7.696 6.383 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.055 7.679 6.005 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.940 5.371 6.768 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.586 5.549 7.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.833 2.985 7.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -2.578 3.241 8.131 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -4.675 1.978 8.377 1.00 0.00 H new ATOM 541 N SER A 32 -0.912 -1.698 13.670 1.00 0.00 N ATOM 542 CA SER A 32 -0.321 -2.542 12.643 1.00 0.00 C ATOM 543 C SER A 32 -0.402 -1.889 11.265 1.00 0.00 C ATOM 544 O SER A 32 0.592 -1.846 10.538 1.00 0.00 O ATOM 545 CB SER A 32 -1.045 -3.882 12.619 1.00 0.00 C ATOM 546 OG SER A 32 -1.164 -4.410 13.930 1.00 0.00 O ATOM 0 HA SER A 32 0.733 -2.686 12.882 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.035 -3.758 12.180 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.501 -4.584 11.987 1.00 0.00 H new ATOM 0 HG SER A 32 -1.199 -3.675 14.577 1.00 0.00 H new ATOM 552 N TYR A 33 -1.579 -1.359 10.941 1.00 0.00 N ATOM 553 CA TYR A 33 -1.890 -0.868 9.596 1.00 0.00 C ATOM 554 C TYR A 33 -0.843 0.107 9.080 1.00 0.00 C ATOM 555 O TYR A 33 -0.177 -0.156 8.079 1.00 0.00 O ATOM 556 CB TYR A 33 -3.254 -0.166 9.587 1.00 0.00 C ATOM 557 CG TYR A 33 -4.439 -1.077 9.829 1.00 0.00 C ATOM 558 CD1 TYR A 33 -4.599 -1.754 11.034 1.00 0.00 C ATOM 559 CD2 TYR A 33 -5.412 -1.240 8.853 1.00 0.00 C ATOM 560 CE1 TYR A 33 -5.693 -2.572 11.253 1.00 0.00 C ATOM 561 CE2 TYR A 33 -6.504 -2.055 9.064 1.00 0.00 C ATOM 562 CZ TYR A 33 -6.642 -2.718 10.263 1.00 0.00 C ATOM 563 OH TYR A 33 -7.735 -3.526 10.474 1.00 0.00 O ATOM 0 H TYR A 33 -2.348 -1.257 11.604 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.903 -1.740 8.942 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.251 0.613 10.349 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.385 0.330 8.625 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.857 -1.639 11.811 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.312 -0.720 7.912 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.803 -3.093 12.193 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.249 -2.173 8.291 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.113 -3.797 9.611 1.00 0.00 H new ATOM 573 N GLU A 34 -0.704 1.225 9.771 1.00 0.00 N ATOM 574 CA GLU A 34 0.172 2.301 9.325 1.00 0.00 C ATOM 575 C GLU A 34 1.606 1.809 9.234 1.00 0.00 C ATOM 576 O GLU A 34 2.287 2.040 8.238 1.00 0.00 O ATOM 577 CB GLU A 34 0.115 3.506 10.275 1.00 0.00 C ATOM 578 CG GLU A 34 -1.145 3.596 11.122 1.00 0.00 C ATOM 579 CD GLU A 34 -1.126 2.619 12.277 1.00 0.00 C ATOM 580 OE1 GLU A 34 -0.339 2.834 13.220 1.00 0.00 O ATOM 581 OE2 GLU A 34 -1.863 1.613 12.220 1.00 0.00 O ATOM 0 H GLU A 34 -1.188 1.414 10.648 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.176 2.617 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.979 3.468 10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.205 4.419 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.250 4.610 11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.016 3.400 10.497 1.00 0.00 H new ATOM 588 N THR A 35 2.035 1.109 10.276 1.00 0.00 N ATOM 589 CA THR A 35 3.406 0.640 10.394 1.00 0.00 C ATOM 590 C THR A 35 3.826 -0.219 9.200 1.00 0.00 C ATOM 591 O THR A 35 4.827 0.072 8.545 1.00 0.00 O ATOM 592 CB THR A 35 3.586 -0.155 11.702 1.00 0.00 C ATOM 593 OG1 THR A 35 3.096 0.622 12.804 1.00 0.00 O ATOM 594 CG2 THR A 35 5.048 -0.505 11.937 1.00 0.00 C ATOM 0 H THR A 35 1.440 0.851 11.063 1.00 0.00 H new ATOM 0 HA THR A 35 4.049 1.520 10.409 1.00 0.00 H new ATOM 0 HB THR A 35 3.022 -1.084 11.619 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.208 0.117 13.636 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.143 -1.065 12.867 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.415 -1.111 11.109 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.635 0.411 12.004 1.00 0.00 H new ATOM 602 N VAL A 36 3.056 -1.261 8.901 1.00 0.00 N ATOM 603 CA VAL A 36 3.396 -2.157 7.799 1.00 0.00 C ATOM 604 C VAL A 36 3.261 -1.454 6.449 1.00 0.00 C ATOM 605 O VAL A 36 4.103 -1.622 5.555 1.00 0.00 O ATOM 606 CB VAL A 36 2.537 -3.448 7.808 1.00 0.00 C ATOM 607 CG1 VAL A 36 2.874 -4.302 9.020 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.049 -3.127 7.780 1.00 0.00 C ATOM 0 H VAL A 36 2.201 -1.505 9.400 1.00 0.00 H new ATOM 0 HA VAL A 36 4.437 -2.444 7.945 1.00 0.00 H new ATOM 0 HB VAL A 36 2.773 -4.011 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.262 -5.204 9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.928 -4.578 8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.674 -3.737 9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.476 -4.055 7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.788 -2.533 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.815 -2.563 6.877 1.00 0.00 H new ATOM 618 N LEU A 37 2.222 -0.638 6.319 1.00 0.00 N ATOM 619 CA LEU A 37 1.931 0.041 5.071 1.00 0.00 C ATOM 620 C LEU A 37 3.034 1.038 4.731 1.00 0.00 C ATOM 621 O LEU A 37 3.655 0.944 3.670 1.00 0.00 O ATOM 622 CB LEU A 37 0.576 0.749 5.171 1.00 0.00 C ATOM 623 CG LEU A 37 -0.032 1.186 3.841 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.185 -0.008 2.914 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.380 1.860 4.071 1.00 0.00 C ATOM 0 H LEU A 37 1.565 -0.432 7.071 1.00 0.00 H new ATOM 0 HA LEU A 37 1.886 -0.697 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.127 0.083 5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.690 1.628 5.806 1.00 0.00 H new ATOM 0 HG LEU A 37 0.638 1.906 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.620 0.318 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.793 -0.453 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.838 -0.747 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.802 2.166 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.058 1.160 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.245 2.736 4.705 1.00 0.00 H new ATOM 637 N ARG A 38 3.302 1.963 5.652 1.00 0.00 N ATOM 638 CA ARG A 38 4.291 3.013 5.417 1.00 0.00 C ATOM 639 C ARG A 38 5.671 2.411 5.166 1.00 0.00 C ATOM 640 O ARG A 38 6.414 2.886 4.308 1.00 0.00 O ATOM 641 CB ARG A 38 4.347 3.994 6.601 1.00 0.00 C ATOM 642 CG ARG A 38 4.939 3.406 7.875 1.00 0.00 C ATOM 643 CD ARG A 38 4.844 4.374 9.043 1.00 0.00 C ATOM 644 NE ARG A 38 5.547 5.629 8.787 1.00 0.00 N ATOM 645 CZ ARG A 38 5.536 6.671 9.618 1.00 0.00 C ATOM 646 NH1 ARG A 38 4.973 6.568 10.817 1.00 0.00 N ATOM 647 NH2 ARG A 38 6.133 7.803 9.268 1.00 0.00 N ATOM 0 H ARG A 38 2.849 2.006 6.565 1.00 0.00 H new ATOM 0 HA ARG A 38 3.985 3.565 4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.935 4.864 6.309 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.338 4.348 6.813 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.417 2.483 8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.983 3.145 7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.795 4.585 9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.259 3.904 9.935 1.00 0.00 H new ATOM 0 HE ARG A 38 6.078 5.713 7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.546 5.688 11.106 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.968 7.369 11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.600 7.875 8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.125 8.601 9.903 1.00 0.00 H new ATOM 661 N LEU A 39 5.985 1.340 5.890 1.00 0.00 N ATOM 662 CA LEU A 39 7.299 0.715 5.822 1.00 0.00 C ATOM 663 C LEU A 39 7.591 0.173 4.429 1.00 0.00 C ATOM 664 O LEU A 39 8.693 0.340 3.908 1.00 0.00 O ATOM 665 CB LEU A 39 7.390 -0.428 6.836 1.00 0.00 C ATOM 666 CG LEU A 39 8.735 -1.152 6.889 1.00 0.00 C ATOM 667 CD1 LEU A 39 9.814 -0.233 7.442 1.00 0.00 C ATOM 668 CD2 LEU A 39 8.625 -2.420 7.722 1.00 0.00 C ATOM 0 H LEU A 39 5.340 0.885 6.535 1.00 0.00 H new ATOM 0 HA LEU A 39 8.039 1.481 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.171 -0.030 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.613 -1.157 6.607 1.00 0.00 H new ATOM 0 HG LEU A 39 9.016 -1.435 5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.765 -0.765 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.909 0.643 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.542 0.082 8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.592 -2.923 7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.321 -2.163 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.883 -3.084 7.278 1.00 0.00 H new ATOM 680 N HIS A 40 6.603 -0.472 3.823 1.00 0.00 N ATOM 681 CA HIS A 40 6.841 -1.179 2.570 1.00 0.00 C ATOM 682 C HIS A 40 6.581 -0.329 1.326 1.00 0.00 C ATOM 683 O HIS A 40 7.402 -0.313 0.411 1.00 0.00 O ATOM 684 CB HIS A 40 6.017 -2.469 2.513 1.00 0.00 C ATOM 685 CG HIS A 40 6.473 -3.509 3.491 1.00 0.00 C ATOM 686 ND1 HIS A 40 7.612 -4.265 3.310 1.00 0.00 N ATOM 687 CD2 HIS A 40 5.943 -3.909 4.671 1.00 0.00 C ATOM 688 CE1 HIS A 40 7.760 -5.087 4.333 1.00 0.00 C ATOM 689 NE2 HIS A 40 6.762 -4.889 5.171 1.00 0.00 N ATOM 0 H HIS A 40 5.645 -0.521 4.170 1.00 0.00 H new ATOM 0 HA HIS A 40 7.904 -1.421 2.560 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.971 -2.232 2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.069 -2.881 1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.044 -3.528 5.132 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.562 -5.799 4.461 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.621 -5.385 6.051 1.00 0.00 H new ATOM 698 N VAL A 41 5.459 0.377 1.278 1.00 0.00 N ATOM 699 CA VAL A 41 5.055 1.031 0.036 1.00 0.00 C ATOM 700 C VAL A 41 5.563 2.477 -0.072 1.00 0.00 C ATOM 701 O VAL A 41 5.890 2.934 -1.168 1.00 0.00 O ATOM 702 CB VAL A 41 3.516 0.980 -0.162 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.783 1.783 0.898 1.00 0.00 C ATOM 704 CG2 VAL A 41 3.132 1.456 -1.553 1.00 0.00 C ATOM 0 H VAL A 41 4.823 0.511 2.064 1.00 0.00 H new ATOM 0 HA VAL A 41 5.527 0.465 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 41 3.212 -0.061 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.709 1.721 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.014 1.380 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.099 2.825 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.049 1.411 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.469 2.483 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.602 0.816 -2.299 1.00 0.00 H new ATOM 714 N ILE A 42 5.677 3.178 1.055 1.00 0.00 N ATOM 715 CA ILE A 42 6.018 4.608 1.039 1.00 0.00 C ATOM 716 C ILE A 42 7.414 4.899 0.446 1.00 0.00 C ATOM 717 O ILE A 42 7.533 5.778 -0.409 1.00 0.00 O ATOM 718 CB ILE A 42 5.871 5.254 2.449 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.464 5.840 2.630 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.911 6.344 2.680 1.00 0.00 C ATOM 721 CD1 ILE A 42 3.339 4.877 2.322 1.00 0.00 C ATOM 0 H ILE A 42 5.540 2.787 1.987 1.00 0.00 H new ATOM 0 HA ILE A 42 5.293 5.072 0.371 1.00 0.00 H new ATOM 0 HB ILE A 42 6.033 4.465 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.358 6.186 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.363 6.715 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.776 6.771 3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.910 5.916 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.791 7.126 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.382 5.375 2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.414 4.549 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.409 4.012 2.982 1.00 0.00 H new ATOM 733 N PRO A 43 8.487 4.187 0.866 1.00 0.00 N ATOM 734 CA PRO A 43 9.853 4.479 0.397 1.00 0.00 C ATOM 735 C PRO A 43 9.993 4.480 -1.127 1.00 0.00 C ATOM 736 O PRO A 43 10.722 5.298 -1.693 1.00 0.00 O ATOM 737 CB PRO A 43 10.692 3.349 1.001 1.00 0.00 C ATOM 738 CG PRO A 43 9.927 2.905 2.195 1.00 0.00 C ATOM 739 CD PRO A 43 8.478 3.074 1.838 1.00 0.00 C ATOM 0 HA PRO A 43 10.161 5.480 0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.826 2.533 0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.687 3.699 1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.151 1.867 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.186 3.501 3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.064 2.165 1.402 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.874 3.312 2.714 1.00 0.00 H new ATOM 747 N THR A 44 9.295 3.571 -1.793 1.00 0.00 N ATOM 748 CA THR A 44 9.456 3.415 -3.231 1.00 0.00 C ATOM 749 C THR A 44 8.250 3.945 -4.020 1.00 0.00 C ATOM 750 O THR A 44 8.413 4.745 -4.941 1.00 0.00 O ATOM 751 CB THR A 44 9.749 1.941 -3.599 1.00 0.00 C ATOM 752 OG1 THR A 44 9.750 1.769 -5.021 1.00 0.00 O ATOM 753 CG2 THR A 44 8.744 0.990 -2.961 1.00 0.00 C ATOM 0 H THR A 44 8.619 2.937 -1.366 1.00 0.00 H new ATOM 0 HA THR A 44 10.314 4.023 -3.518 1.00 0.00 H new ATOM 0 HB THR A 44 10.737 1.698 -3.207 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.938 0.832 -5.237 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.983 -0.035 -3.243 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.789 1.088 -1.876 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.740 1.236 -3.307 1.00 0.00 H new ATOM 761 N LEU A 45 7.045 3.521 -3.658 1.00 0.00 N ATOM 762 CA LEU A 45 5.847 3.905 -4.403 1.00 0.00 C ATOM 763 C LEU A 45 5.171 5.121 -3.779 1.00 0.00 C ATOM 764 O LEU A 45 4.261 5.701 -4.365 1.00 0.00 O ATOM 765 CB LEU A 45 4.851 2.738 -4.469 1.00 0.00 C ATOM 766 CG LEU A 45 5.046 1.745 -5.625 1.00 0.00 C ATOM 767 CD1 LEU A 45 6.405 1.066 -5.554 1.00 0.00 C ATOM 768 CD2 LEU A 45 3.939 0.704 -5.616 1.00 0.00 C ATOM 0 H LEU A 45 6.869 2.914 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 45 6.162 4.165 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.907 2.187 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.844 3.150 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 45 5.002 2.307 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.508 0.371 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.191 1.819 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.491 0.521 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.089 0.006 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.959 0.160 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.974 1.198 -5.730 1.00 0.00 H new ATOM 780 N GLY A 46 5.633 5.510 -2.600 1.00 0.00 N ATOM 781 CA GLY A 46 5.020 6.615 -1.884 1.00 0.00 C ATOM 782 C GLY A 46 5.135 7.938 -2.616 1.00 0.00 C ATOM 783 O GLY A 46 4.257 8.788 -2.506 1.00 0.00 O ATOM 0 H GLY A 46 6.425 5.079 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.967 6.391 -1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.487 6.708 -0.903 1.00 0.00 H new ATOM 787 N SER A 47 6.203 8.108 -3.379 1.00 0.00 N ATOM 788 CA SER A 47 6.439 9.354 -4.096 1.00 0.00 C ATOM 789 C SER A 47 5.625 9.411 -5.390 1.00 0.00 C ATOM 790 O SER A 47 5.760 10.341 -6.184 1.00 0.00 O ATOM 791 CB SER A 47 7.928 9.494 -4.393 1.00 0.00 C ATOM 792 OG SER A 47 8.691 9.341 -3.208 1.00 0.00 O ATOM 0 H SER A 47 6.922 7.398 -3.519 1.00 0.00 H new ATOM 0 HA SER A 47 6.116 10.185 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.230 8.745 -5.125 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.126 10.470 -4.835 1.00 0.00 H new ATOM 0 HG SER A 47 8.249 9.812 -2.471 1.00 0.00 H new ATOM 798 N ILE A 48 4.781 8.411 -5.593 1.00 0.00 N ATOM 799 CA ILE A 48 3.902 8.369 -6.748 1.00 0.00 C ATOM 800 C ILE A 48 2.490 8.774 -6.330 1.00 0.00 C ATOM 801 O ILE A 48 1.986 8.302 -5.312 1.00 0.00 O ATOM 802 CB ILE A 48 3.877 6.956 -7.377 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.295 6.537 -7.783 1.00 0.00 C ATOM 804 CG2 ILE A 48 2.940 6.909 -8.580 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.378 5.146 -8.374 1.00 0.00 C ATOM 0 H ILE A 48 4.687 7.612 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 48 4.280 9.067 -7.495 1.00 0.00 H new ATOM 0 HB ILE A 48 3.501 6.254 -6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.681 7.253 -8.508 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.943 6.589 -6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.941 5.904 -9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.929 7.169 -8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.279 7.620 -9.333 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.412 4.923 -8.636 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.024 4.419 -7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.758 5.093 -9.269 1.00 0.00 H new ATOM 817 N PRO A 49 1.853 9.690 -7.078 1.00 0.00 N ATOM 818 CA PRO A 49 0.472 10.100 -6.810 1.00 0.00 C ATOM 819 C PRO A 49 -0.482 8.909 -6.834 1.00 0.00 C ATOM 820 O PRO A 49 -0.310 7.986 -7.633 1.00 0.00 O ATOM 821 CB PRO A 49 0.137 11.075 -7.945 1.00 0.00 C ATOM 822 CG PRO A 49 1.207 10.884 -8.968 1.00 0.00 C ATOM 823 CD PRO A 49 2.423 10.403 -8.230 1.00 0.00 C ATOM 0 HA PRO A 49 0.368 10.547 -5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.847 10.866 -8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.118 12.104 -7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.898 10.159 -9.721 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.415 11.818 -9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.036 9.746 -8.848 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.059 11.231 -7.917 1.00 0.00 H new ATOM 831 N LEU A 50 -1.485 8.941 -5.964 1.00 0.00 N ATOM 832 CA LEU A 50 -2.417 7.824 -5.805 1.00 0.00 C ATOM 833 C LEU A 50 -3.051 7.403 -7.129 1.00 0.00 C ATOM 834 O LEU A 50 -3.216 6.215 -7.396 1.00 0.00 O ATOM 835 CB LEU A 50 -3.521 8.189 -4.810 1.00 0.00 C ATOM 836 CG LEU A 50 -3.067 8.368 -3.360 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.236 8.785 -2.488 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.449 7.086 -2.832 1.00 0.00 C ATOM 0 H LEU A 50 -1.677 9.734 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.837 6.982 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.994 9.114 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.285 7.412 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.312 9.153 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.897 8.908 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.643 9.729 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.010 8.018 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.132 7.233 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.185 6.283 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.586 6.820 -3.442 1.00 0.00 H new ATOM 850 N LYS A 51 -3.385 8.371 -7.967 1.00 0.00 N ATOM 851 CA LYS A 51 -4.102 8.086 -9.202 1.00 0.00 C ATOM 852 C LYS A 51 -3.160 7.594 -10.298 1.00 0.00 C ATOM 853 O LYS A 51 -3.598 7.271 -11.405 1.00 0.00 O ATOM 854 CB LYS A 51 -4.859 9.325 -9.678 1.00 0.00 C ATOM 855 CG LYS A 51 -5.755 9.933 -8.612 1.00 0.00 C ATOM 856 CD LYS A 51 -6.722 10.944 -9.204 1.00 0.00 C ATOM 857 CE LYS A 51 -7.750 10.270 -10.100 1.00 0.00 C ATOM 858 NZ LYS A 51 -8.651 11.253 -10.757 1.00 0.00 N ATOM 0 H LYS A 51 -3.173 9.357 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.816 7.290 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.141 10.075 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.466 9.060 -10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.315 9.142 -8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.141 10.417 -7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.231 11.477 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.168 11.687 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.237 9.684 -10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.344 9.573 -9.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.335 10.750 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.161 11.796 -10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.088 11.902 -11.343 1.00 0.00 H new ATOM 872 N LYS A 52 -1.870 7.533 -9.992 1.00 0.00 N ATOM 873 CA LYS A 52 -0.884 7.057 -10.949 1.00 0.00 C ATOM 874 C LYS A 52 -0.413 5.662 -10.551 1.00 0.00 C ATOM 875 O LYS A 52 0.373 5.024 -11.257 1.00 0.00 O ATOM 876 CB LYS A 52 0.306 8.018 -11.000 1.00 0.00 C ATOM 877 CG LYS A 52 1.092 7.943 -12.295 1.00 0.00 C ATOM 878 CD LYS A 52 2.383 8.737 -12.213 1.00 0.00 C ATOM 879 CE LYS A 52 2.940 9.043 -13.594 1.00 0.00 C ATOM 880 NZ LYS A 52 3.058 7.828 -14.445 1.00 0.00 N ATOM 0 H LYS A 52 -1.484 7.807 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.340 7.012 -11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.055 9.037 -10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.974 7.801 -10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.319 6.902 -12.524 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.482 8.324 -13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.204 9.669 -11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.120 8.176 -11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.294 9.768 -14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.921 9.507 -13.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.595 8.058 -15.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.553 7.081 -13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.109 7.495 -14.708 1.00 0.00 H new ATOM 894 N LEU A 53 -0.916 5.201 -9.416 1.00 0.00 N ATOM 895 CA LEU A 53 -0.523 3.921 -8.847 1.00 0.00 C ATOM 896 C LEU A 53 -1.044 2.766 -9.704 1.00 0.00 C ATOM 897 O LEU A 53 -2.222 2.719 -10.057 1.00 0.00 O ATOM 898 CB LEU A 53 -1.049 3.834 -7.402 1.00 0.00 C ATOM 899 CG LEU A 53 -0.579 2.639 -6.558 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.385 1.391 -6.876 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.906 2.380 -6.771 1.00 0.00 C ATOM 0 H LEU A 53 -1.609 5.705 -8.863 1.00 0.00 H new ATOM 0 HA LEU A 53 0.564 3.843 -8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.764 4.749 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.138 3.815 -7.439 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.741 2.889 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.030 0.562 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.438 1.574 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.266 1.140 -7.930 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.218 1.530 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.090 2.162 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.475 3.263 -6.479 1.00 0.00 H new ATOM 913 N GLN A 54 -0.150 1.844 -10.038 1.00 0.00 N ATOM 914 CA GLN A 54 -0.502 0.682 -10.843 1.00 0.00 C ATOM 915 C GLN A 54 -0.258 -0.608 -10.062 1.00 0.00 C ATOM 916 O GLN A 54 0.703 -0.705 -9.298 1.00 0.00 O ATOM 917 CB GLN A 54 0.316 0.663 -12.135 1.00 0.00 C ATOM 918 CG GLN A 54 0.025 1.827 -13.065 1.00 0.00 C ATOM 919 CD GLN A 54 0.905 1.811 -14.295 1.00 0.00 C ATOM 920 OE1 GLN A 54 1.988 2.396 -14.306 1.00 0.00 O ATOM 921 NE2 GLN A 54 0.450 1.131 -15.334 1.00 0.00 N ATOM 0 H GLN A 54 0.831 1.880 -9.761 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.561 0.749 -11.091 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.376 0.669 -11.882 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.120 -0.270 -12.664 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.021 1.794 -13.369 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.172 2.764 -12.528 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.454 0.661 -15.280 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.003 1.076 -16.189 1.00 0.00 H new ATOM 930 N PRO A 55 -1.119 -1.621 -10.263 1.00 0.00 N ATOM 931 CA PRO A 55 -1.017 -2.911 -9.563 1.00 0.00 C ATOM 932 C PRO A 55 0.267 -3.665 -9.906 1.00 0.00 C ATOM 933 O PRO A 55 0.739 -4.491 -9.124 1.00 0.00 O ATOM 934 CB PRO A 55 -2.237 -3.692 -10.061 1.00 0.00 C ATOM 935 CG PRO A 55 -2.618 -3.038 -11.345 1.00 0.00 C ATOM 936 CD PRO A 55 -2.267 -1.588 -11.187 1.00 0.00 C ATOM 0 HA PRO A 55 -0.990 -2.778 -8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.997 -4.745 -10.211 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.053 -3.650 -9.340 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.081 -3.481 -12.184 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.682 -3.163 -11.546 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.004 -1.131 -12.141 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.098 -1.014 -10.777 1.00 0.00 H new ATOM 944 N ALA A 56 0.830 -3.366 -11.069 1.00 0.00 N ATOM 945 CA ALA A 56 2.055 -4.013 -11.516 1.00 0.00 C ATOM 946 C ALA A 56 3.203 -3.741 -10.550 1.00 0.00 C ATOM 947 O ALA A 56 3.977 -4.643 -10.217 1.00 0.00 O ATOM 948 CB ALA A 56 2.417 -3.545 -12.914 1.00 0.00 C ATOM 0 H ALA A 56 0.456 -2.677 -11.722 1.00 0.00 H new ATOM 0 HA ALA A 56 1.882 -5.089 -11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.335 -4.037 -13.236 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.610 -3.797 -13.602 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.566 -2.465 -12.909 1.00 0.00 H new ATOM 954 N ASP A 57 3.306 -2.497 -10.092 1.00 0.00 N ATOM 955 CA ASP A 57 4.348 -2.119 -9.145 1.00 0.00 C ATOM 956 C ASP A 57 4.055 -2.677 -7.765 1.00 0.00 C ATOM 957 O ASP A 57 4.970 -2.980 -7.004 1.00 0.00 O ATOM 958 CB ASP A 57 4.509 -0.601 -9.081 1.00 0.00 C ATOM 959 CG ASP A 57 5.531 -0.097 -10.075 1.00 0.00 C ATOM 960 OD1 ASP A 57 5.240 -0.111 -11.292 1.00 0.00 O ATOM 961 OD2 ASP A 57 6.639 0.288 -9.651 1.00 0.00 O ATOM 0 H ASP A 57 2.682 -1.736 -10.361 1.00 0.00 H new ATOM 0 HA ASP A 57 5.286 -2.547 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.548 -0.126 -9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.809 -0.310 -8.074 1.00 0.00 H new ATOM 966 N ILE A 58 2.773 -2.827 -7.453 1.00 0.00 N ATOM 967 CA ILE A 58 2.366 -3.440 -6.196 1.00 0.00 C ATOM 968 C ILE A 58 2.839 -4.890 -6.143 1.00 0.00 C ATOM 969 O ILE A 58 3.409 -5.339 -5.149 1.00 0.00 O ATOM 970 CB ILE A 58 0.834 -3.405 -6.009 1.00 0.00 C ATOM 971 CG1 ILE A 58 0.312 -1.969 -6.041 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.440 -4.082 -4.703 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.191 -1.873 -5.879 1.00 0.00 C ATOM 0 H ILE A 58 2.001 -2.534 -8.051 1.00 0.00 H new ATOM 0 HA ILE A 58 2.824 -2.864 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 58 0.381 -3.951 -6.836 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.793 -1.397 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.599 -1.507 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.643 -4.048 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.771 -5.120 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.910 -3.563 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.494 -0.827 -5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.680 -2.417 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.482 -2.306 -4.922 1.00 0.00 H new ATOM 985 N GLN A 59 2.605 -5.611 -7.232 1.00 0.00 N ATOM 986 CA GLN A 59 3.021 -7.003 -7.331 1.00 0.00 C ATOM 987 C GLN A 59 4.545 -7.101 -7.298 1.00 0.00 C ATOM 988 O GLN A 59 5.105 -8.030 -6.713 1.00 0.00 O ATOM 989 CB GLN A 59 2.468 -7.636 -8.611 1.00 0.00 C ATOM 990 CG GLN A 59 2.637 -9.145 -8.661 1.00 0.00 C ATOM 991 CD GLN A 59 2.050 -9.763 -9.915 1.00 0.00 C ATOM 992 OE1 GLN A 59 2.030 -9.147 -10.982 1.00 0.00 O ATOM 993 NE2 GLN A 59 1.544 -10.979 -9.787 1.00 0.00 N ATOM 0 H GLN A 59 2.129 -5.254 -8.060 1.00 0.00 H new ATOM 0 HA GLN A 59 2.620 -7.550 -6.478 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.409 -7.394 -8.699 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.969 -7.193 -9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.698 -9.389 -8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.161 -9.588 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.581 -11.454 -8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.117 -11.441 -10.590 1.00 0.00 H new ATOM 1002 N ARG A 60 5.210 -6.127 -7.916 1.00 0.00 N ATOM 1003 CA ARG A 60 6.669 -6.073 -7.905 1.00 0.00 C ATOM 1004 C ARG A 60 7.183 -5.811 -6.492 1.00 0.00 C ATOM 1005 O ARG A 60 8.216 -6.344 -6.088 1.00 0.00 O ATOM 1006 CB ARG A 60 7.184 -4.998 -8.872 1.00 0.00 C ATOM 1007 CG ARG A 60 8.701 -4.884 -8.897 1.00 0.00 C ATOM 1008 CD ARG A 60 9.198 -4.081 -10.091 1.00 0.00 C ATOM 1009 NE ARG A 60 8.769 -2.679 -10.062 1.00 0.00 N ATOM 1010 CZ ARG A 60 9.451 -1.684 -10.640 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.608 -1.924 -11.245 1.00 0.00 N ATOM 1012 NH2 ARG A 60 8.978 -0.445 -10.621 1.00 0.00 N ATOM 0 H ARG A 60 4.763 -5.367 -8.429 1.00 0.00 H new ATOM 0 HA ARG A 60 7.047 -7.039 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.827 -5.223 -9.877 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.759 -4.034 -8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.043 -4.412 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.138 -5.882 -8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.287 -4.121 -10.120 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.838 -4.546 -11.009 1.00 0.00 H new ATOM 0 HE ARG A 60 7.903 -2.450 -9.574 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.983 -2.872 -11.271 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.122 -1.160 -11.684 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.088 -0.246 -10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.504 0.308 -11.064 1.00 0.00 H new ATOM 1026 N LEU A 61 6.447 -4.996 -5.742 1.00 0.00 N ATOM 1027 CA LEU A 61 6.769 -4.719 -4.347 1.00 0.00 C ATOM 1028 C LEU A 61 6.773 -6.025 -3.556 1.00 0.00 C ATOM 1029 O LEU A 61 7.703 -6.296 -2.795 1.00 0.00 O ATOM 1030 CB LEU A 61 5.753 -3.719 -3.760 1.00 0.00 C ATOM 1031 CG LEU A 61 6.105 -3.095 -2.394 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.902 -4.084 -1.254 1.00 0.00 C ATOM 1033 CD2 LEU A 61 7.539 -2.575 -2.395 1.00 0.00 C ATOM 0 H LEU A 61 5.616 -4.512 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 61 7.760 -4.271 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.617 -2.911 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.793 -4.226 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 61 5.426 -2.258 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.160 -3.607 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.859 -4.400 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.541 -4.953 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.768 -2.139 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.225 -3.399 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.650 -1.816 -3.169 1.00 0.00 H new ATOM 1045 N TYR A 62 5.737 -6.837 -3.757 1.00 0.00 N ATOM 1046 CA TYR A 62 5.634 -8.128 -3.087 1.00 0.00 C ATOM 1047 C TYR A 62 6.811 -9.022 -3.453 1.00 0.00 C ATOM 1048 O TYR A 62 7.457 -9.599 -2.581 1.00 0.00 O ATOM 1049 CB TYR A 62 4.328 -8.838 -3.453 1.00 0.00 C ATOM 1050 CG TYR A 62 3.078 -8.128 -2.990 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.977 -7.627 -1.699 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.994 -7.971 -3.843 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.829 -6.993 -1.269 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.843 -7.334 -3.422 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.767 -6.843 -2.135 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.381 -6.212 -1.712 1.00 0.00 O ATOM 0 H TYR A 62 4.958 -6.622 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 62 5.645 -7.939 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.284 -8.955 -4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.341 -9.840 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.810 -7.735 -1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.052 -8.353 -4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.763 -6.616 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.007 -7.221 -4.097 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.201 -5.729 -0.879 1.00 0.00 H new ATOM 1066 N ALA A 63 7.088 -9.123 -4.746 1.00 0.00 N ATOM 1067 CA ALA A 63 8.166 -9.975 -5.240 1.00 0.00 C ATOM 1068 C ALA A 63 9.518 -9.534 -4.688 1.00 0.00 C ATOM 1069 O ALA A 63 10.304 -10.351 -4.201 1.00 0.00 O ATOM 1070 CB ALA A 63 8.185 -9.964 -6.760 1.00 0.00 C ATOM 0 H ALA A 63 6.580 -8.624 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 63 7.981 -10.992 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.993 -10.602 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.233 -10.336 -7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.343 -8.945 -7.115 1.00 0.00 H new ATOM 1076 N SER A 64 9.770 -8.233 -4.744 1.00 0.00 N ATOM 1077 CA SER A 64 11.038 -7.683 -4.300 1.00 0.00 C ATOM 1078 C SER A 64 11.215 -7.868 -2.791 1.00 0.00 C ATOM 1079 O SER A 64 12.307 -8.184 -2.317 1.00 0.00 O ATOM 1080 CB SER A 64 11.127 -6.198 -4.673 1.00 0.00 C ATOM 1081 OG SER A 64 12.443 -5.697 -4.501 1.00 0.00 O ATOM 0 H SER A 64 9.109 -7.539 -5.094 1.00 0.00 H new ATOM 0 HA SER A 64 11.842 -8.221 -4.802 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.818 -6.063 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.435 -5.625 -4.056 1.00 0.00 H new ATOM 0 HG SER A 64 12.467 -4.749 -4.748 1.00 0.00 H new ATOM 1087 N LYS A 65 10.135 -7.693 -2.036 1.00 0.00 N ATOM 1088 CA LYS A 65 10.200 -7.821 -0.586 1.00 0.00 C ATOM 1089 C LYS A 65 10.180 -9.285 -0.156 1.00 0.00 C ATOM 1090 O LYS A 65 10.612 -9.619 0.945 1.00 0.00 O ATOM 1091 CB LYS A 65 9.061 -7.049 0.079 1.00 0.00 C ATOM 1092 CG LYS A 65 9.507 -5.788 0.819 1.00 0.00 C ATOM 1093 CD LYS A 65 9.836 -4.627 -0.120 1.00 0.00 C ATOM 1094 CE LYS A 65 11.151 -4.819 -0.864 1.00 0.00 C ATOM 1095 NZ LYS A 65 12.312 -4.952 0.056 1.00 0.00 N ATOM 0 H LYS A 65 9.211 -7.464 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 65 11.146 -7.389 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.332 -6.771 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.552 -7.708 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.719 -5.480 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.385 -6.019 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.029 -4.512 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.882 -3.703 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.084 -5.709 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.315 -3.972 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.134 -4.462 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.076 -4.529 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.539 -5.959 0.186 1.00 0.00 H new ATOM 1109 N LEU A 66 9.685 -10.156 -1.025 1.00 0.00 N ATOM 1110 CA LEU A 66 9.730 -11.587 -0.763 1.00 0.00 C ATOM 1111 C LEU A 66 11.181 -12.051 -0.781 1.00 0.00 C ATOM 1112 O LEU A 66 11.592 -12.896 0.020 1.00 0.00 O ATOM 1113 CB LEU A 66 8.903 -12.351 -1.802 1.00 0.00 C ATOM 1114 CG LEU A 66 8.749 -13.852 -1.545 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.047 -14.099 -0.220 1.00 0.00 C ATOM 1116 CD2 LEU A 66 7.982 -14.512 -2.683 1.00 0.00 C ATOM 0 H LEU A 66 9.251 -9.899 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 66 9.300 -11.790 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.910 -11.904 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.363 -12.213 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 66 9.744 -14.294 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.947 -15.172 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.632 -13.661 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.058 -13.642 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.882 -15.579 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.992 -14.063 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.523 -14.367 -3.618 1.00 0.00 H new ATOM 1128 N GLU A 67 11.960 -11.458 -1.682 1.00 0.00 N ATOM 1129 CA GLU A 67 13.393 -11.716 -1.765 1.00 0.00 C ATOM 1130 C GLU A 67 14.112 -11.212 -0.516 1.00 0.00 C ATOM 1131 O GLU A 67 15.198 -11.684 -0.182 1.00 0.00 O ATOM 1132 CB GLU A 67 13.980 -11.043 -3.005 1.00 0.00 C ATOM 1133 CG GLU A 67 13.495 -11.647 -4.311 1.00 0.00 C ATOM 1134 CD GLU A 67 13.975 -13.068 -4.503 1.00 0.00 C ATOM 1135 OE1 GLU A 67 13.327 -13.999 -3.978 1.00 0.00 O ATOM 1136 OE2 GLU A 67 15.003 -13.261 -5.189 1.00 0.00 O ATOM 0 H GLU A 67 11.617 -10.789 -2.371 1.00 0.00 H new ATOM 0 HA GLU A 67 13.538 -12.794 -1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.726 -9.983 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.067 -11.111 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.405 -11.628 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.842 -11.034 -5.143 1.00 0.00 H new ATOM 1143 N SER A 68 13.498 -10.259 0.173 1.00 0.00 N ATOM 1144 CA SER A 68 14.066 -9.711 1.396 1.00 0.00 C ATOM 1145 C SER A 68 13.950 -10.720 2.537 1.00 0.00 C ATOM 1146 O SER A 68 14.679 -10.647 3.528 1.00 0.00 O ATOM 1147 CB SER A 68 13.355 -8.407 1.764 1.00 0.00 C ATOM 1148 OG SER A 68 13.334 -7.515 0.662 1.00 0.00 O ATOM 0 H SER A 68 12.604 -9.849 -0.096 1.00 0.00 H new ATOM 0 HA SER A 68 15.122 -9.501 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.335 -8.622 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.861 -7.938 2.608 1.00 0.00 H new ATOM 0 HG SER A 68 14.020 -6.826 0.785 1.00 0.00 H new ATOM 1154 N GLY A 69 13.035 -11.668 2.384 1.00 0.00 N ATOM 1155 CA GLY A 69 12.875 -12.713 3.375 1.00 0.00 C ATOM 1156 C GLY A 69 11.637 -12.529 4.227 1.00 0.00 C ATOM 1157 O GLY A 69 11.708 -12.575 5.456 1.00 0.00 O ATOM 0 H GLY A 69 12.399 -11.732 1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.825 -13.679 2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.754 -12.734 4.019 1.00 0.00 H new ATOM 1161 N LEU A 70 10.507 -12.303 3.575 1.00 0.00 N ATOM 1162 CA LEU A 70 9.231 -12.196 4.270 1.00 0.00 C ATOM 1163 C LEU A 70 8.472 -13.513 4.174 1.00 0.00 C ATOM 1164 O LEU A 70 8.482 -14.164 3.130 1.00 0.00 O ATOM 1165 CB LEU A 70 8.386 -11.065 3.679 1.00 0.00 C ATOM 1166 CG LEU A 70 8.946 -9.656 3.875 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.051 -8.637 3.190 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.076 -9.335 5.355 1.00 0.00 C ATOM 0 H LEU A 70 10.446 -12.190 2.563 1.00 0.00 H new ATOM 0 HA LEU A 70 9.429 -11.971 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.266 -11.244 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.391 -11.107 4.123 1.00 0.00 H new ATOM 0 HG LEU A 70 9.938 -9.611 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.460 -7.637 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.000 -8.856 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.050 -8.686 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.476 -8.328 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.096 -9.395 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.750 -10.052 5.825 1.00 0.00 H new ATOM 1180 N SER A 71 7.829 -13.903 5.265 1.00 0.00 N ATOM 1181 CA SER A 71 7.038 -15.125 5.287 1.00 0.00 C ATOM 1182 C SER A 71 5.745 -14.934 4.494 1.00 0.00 C ATOM 1183 O SER A 71 5.186 -13.837 4.483 1.00 0.00 O ATOM 1184 CB SER A 71 6.719 -15.508 6.734 1.00 0.00 C ATOM 1185 OG SER A 71 7.901 -15.542 7.520 1.00 0.00 O ATOM 0 H SER A 71 7.839 -13.391 6.147 1.00 0.00 H new ATOM 0 HA SER A 71 7.612 -15.928 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.016 -14.791 7.158 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.233 -16.483 6.758 1.00 0.00 H new ATOM 0 HG SER A 71 7.674 -15.787 8.441 1.00 0.00 H new ATOM 1191 N PRO A 72 5.261 -15.993 3.817 1.00 0.00 N ATOM 1192 CA PRO A 72 4.034 -15.938 3.003 1.00 0.00 C ATOM 1193 C PRO A 72 2.851 -15.317 3.747 1.00 0.00 C ATOM 1194 O PRO A 72 2.119 -14.499 3.193 1.00 0.00 O ATOM 1195 CB PRO A 72 3.759 -17.408 2.689 1.00 0.00 C ATOM 1196 CG PRO A 72 5.100 -18.054 2.718 1.00 0.00 C ATOM 1197 CD PRO A 72 5.888 -17.328 3.773 1.00 0.00 C ATOM 0 HA PRO A 72 4.162 -15.310 2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.089 -17.852 3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.284 -17.523 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.017 -19.115 2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.589 -17.981 1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.826 -17.832 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.945 -17.266 3.513 1.00 0.00 H new ATOM 1205 N THR A 73 2.678 -15.699 5.005 1.00 0.00 N ATOM 1206 CA THR A 73 1.602 -15.166 5.831 1.00 0.00 C ATOM 1207 C THR A 73 1.802 -13.680 6.129 1.00 0.00 C ATOM 1208 O THR A 73 0.839 -12.923 6.251 1.00 0.00 O ATOM 1209 CB THR A 73 1.506 -15.945 7.150 1.00 0.00 C ATOM 1210 OG1 THR A 73 2.813 -16.394 7.536 1.00 0.00 O ATOM 1211 CG2 THR A 73 0.567 -17.135 7.017 1.00 0.00 C ATOM 0 H THR A 73 3.272 -16.380 5.478 1.00 0.00 H new ATOM 0 HA THR A 73 0.674 -15.280 5.270 1.00 0.00 H new ATOM 0 HB THR A 73 1.104 -15.282 7.915 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.753 -16.890 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.519 -17.668 7.966 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.429 -16.784 6.747 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.938 -17.806 6.242 1.00 0.00 H new ATOM 1219 N ARG A 74 3.056 -13.267 6.232 1.00 0.00 N ATOM 1220 CA ARG A 74 3.382 -11.876 6.510 1.00 0.00 C ATOM 1221 C ARG A 74 3.130 -11.025 5.268 1.00 0.00 C ATOM 1222 O ARG A 74 2.599 -9.920 5.359 1.00 0.00 O ATOM 1223 CB ARG A 74 4.840 -11.755 6.963 1.00 0.00 C ATOM 1224 CG ARG A 74 5.217 -10.386 7.513 1.00 0.00 C ATOM 1225 CD ARG A 74 4.408 -10.033 8.753 1.00 0.00 C ATOM 1226 NE ARG A 74 4.973 -8.886 9.464 1.00 0.00 N ATOM 1227 CZ ARG A 74 4.294 -8.103 10.304 1.00 0.00 C ATOM 1228 NH1 ARG A 74 3.002 -8.311 10.531 1.00 0.00 N ATOM 1229 NH2 ARG A 74 4.915 -7.106 10.919 1.00 0.00 N ATOM 0 H ARG A 74 3.867 -13.877 6.127 1.00 0.00 H new ATOM 0 HA ARG A 74 2.743 -11.513 7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.033 -12.506 7.729 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.490 -11.985 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.279 -10.372 7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.055 -9.629 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.380 -9.812 8.465 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.374 -10.893 9.421 1.00 0.00 H new ATOM 0 HE ARG A 74 5.957 -8.669 9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.518 -9.076 10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.493 -7.706 11.175 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.907 -6.941 10.749 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.401 -6.504 11.562 1.00 0.00 H new ATOM 1243 N VAL A 75 3.504 -11.561 4.109 1.00 0.00 N ATOM 1244 CA VAL A 75 3.240 -10.901 2.833 1.00 0.00 C ATOM 1245 C VAL A 75 1.736 -10.850 2.578 1.00 0.00 C ATOM 1246 O VAL A 75 1.213 -9.879 2.030 1.00 0.00 O ATOM 1247 CB VAL A 75 3.932 -11.630 1.658 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.679 -10.909 0.340 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.423 -11.763 1.914 1.00 0.00 C ATOM 0 H VAL A 75 3.992 -12.453 4.027 1.00 0.00 H new ATOM 0 HA VAL A 75 3.645 -9.891 2.894 1.00 0.00 H new ATOM 0 HB VAL A 75 3.503 -12.629 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.177 -11.444 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.607 -10.873 0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.071 -9.894 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.892 -12.279 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.863 -10.772 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.586 -12.334 2.828 1.00 0.00 H new ATOM 1259 N ARG A 76 1.050 -11.910 2.997 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.401 -11.985 2.895 1.00 0.00 C ATOM 1261 C ARG A 76 -1.045 -10.809 3.617 1.00 0.00 C ATOM 1262 O ARG A 76 -1.936 -10.153 3.077 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.906 -13.298 3.493 1.00 0.00 C ATOM 1264 CG ARG A 76 -2.407 -13.499 3.361 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.850 -14.768 4.067 1.00 0.00 C ATOM 1266 NE ARG A 76 -4.251 -15.086 3.804 1.00 0.00 N ATOM 1267 CZ ARG A 76 -4.832 -16.224 4.171 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -4.172 -17.093 4.930 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -6.086 -16.467 3.814 1.00 0.00 N ATOM 0 H ARG A 76 1.482 -12.735 3.414 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.675 -11.945 1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.394 -14.128 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.636 -13.332 4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.931 -12.642 3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.679 -13.551 2.307 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.224 -15.599 3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.700 -14.655 5.141 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.816 -14.395 3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.220 -16.887 5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.618 -17.966 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.600 -15.782 3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.536 -17.339 4.093 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.576 -10.542 4.834 1.00 0.00 N ATOM 1284 CA TYR A 77 -1.099 -9.437 5.626 1.00 0.00 C ATOM 1285 C TYR A 77 -0.883 -8.111 4.906 1.00 0.00 C ATOM 1286 O TYR A 77 -1.775 -7.268 4.879 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.456 -9.387 7.015 1.00 0.00 C ATOM 1288 CG TYR A 77 -1.003 -8.265 7.869 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -2.367 -8.167 8.115 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.167 -7.299 8.415 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.883 -7.143 8.880 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.677 -6.270 9.187 1.00 0.00 C ATOM 1293 CZ TYR A 77 -2.037 -6.195 9.412 1.00 0.00 C ATOM 1294 OH TYR A 77 -2.555 -5.172 10.176 1.00 0.00 O ATOM 0 H TYR A 77 0.164 -11.076 5.290 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.169 -9.604 5.753 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.621 -10.338 7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.622 -9.265 6.908 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.035 -8.907 7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.896 -7.352 8.234 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.946 -7.084 9.061 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.015 -5.530 9.611 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.364 -5.483 10.633 1.00 0.00 H new ATOM 1304 N ILE A 78 0.298 -7.940 4.320 1.00 0.00 N ATOM 1305 CA ILE A 78 0.605 -6.743 3.543 1.00 0.00 C ATOM 1306 C ILE A 78 -0.407 -6.571 2.410 1.00 0.00 C ATOM 1307 O ILE A 78 -0.878 -5.467 2.147 1.00 0.00 O ATOM 1308 CB ILE A 78 2.032 -6.803 2.951 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.058 -7.008 4.070 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.345 -5.532 2.165 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.467 -7.246 3.571 1.00 0.00 C ATOM 0 H ILE A 78 1.060 -8.617 4.368 1.00 0.00 H new ATOM 0 HA ILE A 78 0.547 -5.890 4.219 1.00 0.00 H new ATOM 0 HB ILE A 78 2.087 -7.648 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.055 -6.131 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.751 -7.857 4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.354 -5.596 1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.630 -5.423 1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.275 -4.669 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.136 -7.382 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.486 -8.140 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.795 -6.388 2.985 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.753 -7.676 1.761 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.742 -7.657 0.688 1.00 0.00 C ATOM 1325 C HIS A 79 -3.118 -7.280 1.236 1.00 0.00 C ATOM 1326 O HIS A 79 -3.872 -6.541 0.601 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.802 -9.028 0.000 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.698 -9.071 -1.201 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.914 -9.723 -1.214 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.534 -8.565 -2.447 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.455 -9.614 -2.414 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.639 -8.916 -3.178 1.00 0.00 N ATOM 0 H HIS A 79 -0.364 -8.598 1.959 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.445 -6.908 -0.046 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.795 -9.316 -0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.144 -9.770 0.722 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.689 -7.991 -2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.406 -10.027 -2.718 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.803 -8.676 -4.156 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.432 -7.792 2.420 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.710 -7.523 3.062 1.00 0.00 C ATOM 1343 C VAL A 80 -4.806 -6.069 3.513 1.00 0.00 C ATOM 1344 O VAL A 80 -5.750 -5.369 3.154 1.00 0.00 O ATOM 1345 CB VAL A 80 -4.950 -8.456 4.272 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -6.252 -8.104 4.975 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.963 -9.913 3.830 1.00 0.00 C ATOM 0 H VAL A 80 -2.813 -8.400 2.957 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.482 -7.716 2.317 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.131 -8.315 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.400 -8.773 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.207 -7.074 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.083 -8.212 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.133 -10.554 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.761 -10.066 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.005 -10.164 3.375 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.821 -5.611 4.279 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.845 -4.258 4.826 1.00 0.00 C ATOM 1359 C VAL A 81 -3.841 -3.216 3.706 1.00 0.00 C ATOM 1360 O VAL A 81 -4.521 -2.195 3.795 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.664 -4.003 5.802 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.320 -4.098 5.093 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.815 -2.653 6.487 1.00 0.00 C ATOM 0 H VAL A 81 -2.997 -6.155 4.535 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.770 -4.161 5.394 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.691 -4.783 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.518 -3.914 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.204 -5.094 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.275 -3.354 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.978 -2.494 7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.828 -1.863 5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.748 -2.633 7.050 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.099 -3.492 2.638 1.00 0.00 N ATOM 1374 CA LEU A 82 -3.049 -2.591 1.497 1.00 0.00 C ATOM 1375 C LEU A 82 -4.413 -2.529 0.815 1.00 0.00 C ATOM 1376 O LEU A 82 -4.872 -1.460 0.419 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.968 -3.041 0.510 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.773 -2.144 -0.717 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -1.388 -0.730 -0.308 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.713 -2.733 -1.630 1.00 0.00 C ATOM 0 H LEU A 82 -2.526 -4.331 2.541 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.794 -1.591 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.020 -3.107 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.211 -4.047 0.167 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.720 -2.093 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.256 -0.117 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.176 -0.304 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.456 -0.755 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.582 -2.088 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.231 -2.810 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.025 -3.724 -1.958 1.00 0.00 H new ATOM 1392 N HIS A 83 -5.069 -3.679 0.705 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.400 -3.744 0.114 1.00 0.00 C ATOM 1394 C HIS A 83 -7.420 -3.068 1.021 1.00 0.00 C ATOM 1395 O HIS A 83 -8.275 -2.314 0.558 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.808 -5.203 -0.119 1.00 0.00 C ATOM 1397 CG HIS A 83 -8.156 -5.363 -0.759 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -9.331 -5.444 -0.038 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -8.510 -5.454 -2.061 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -10.344 -5.577 -0.872 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -9.874 -5.585 -2.101 1.00 0.00 N ATOM 0 H HIS A 83 -4.701 -4.578 1.017 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.374 -3.222 -0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.059 -5.683 -0.748 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.806 -5.728 0.836 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.843 -5.428 -2.910 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.384 -5.665 -0.593 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.435 -5.674 -2.948 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.313 -3.349 2.311 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.264 -2.858 3.295 1.00 0.00 C ATOM 1412 C GLU A 84 -8.175 -1.344 3.461 1.00 0.00 C ATOM 1413 O GLU A 84 -9.196 -0.664 3.549 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.030 -3.566 4.632 1.00 0.00 C ATOM 1415 CG GLU A 84 -8.939 -3.096 5.755 1.00 0.00 C ATOM 1416 CD GLU A 84 -9.099 -4.140 6.840 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -9.888 -5.087 6.645 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -8.440 -4.025 7.894 1.00 0.00 O ATOM 0 H GLU A 84 -6.566 -3.922 2.704 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.270 -3.081 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.170 -4.638 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.993 -3.416 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.533 -2.183 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.918 -2.847 5.347 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.963 -0.813 3.494 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.779 0.618 3.679 1.00 0.00 C ATOM 1427 C ALA A 85 -7.051 1.385 2.387 1.00 0.00 C ATOM 1428 O ALA A 85 -7.718 2.420 2.397 1.00 0.00 O ATOM 1429 CB ALA A 85 -5.375 0.916 4.187 1.00 0.00 C ATOM 0 H ALA A 85 -6.099 -1.346 3.396 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.500 0.952 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.257 1.991 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.219 0.414 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.643 0.556 3.464 1.00 0.00 H new ATOM 1435 N MET A 86 -6.555 0.866 1.268 1.00 0.00 N ATOM 1436 CA MET A 86 -6.674 1.565 -0.008 1.00 0.00 C ATOM 1437 C MET A 86 -8.022 1.326 -0.679 1.00 0.00 C ATOM 1438 O MET A 86 -8.240 1.772 -1.808 1.00 0.00 O ATOM 1439 CB MET A 86 -5.543 1.171 -0.959 1.00 0.00 C ATOM 1440 CG MET A 86 -4.196 1.769 -0.589 1.00 0.00 C ATOM 1441 SD MET A 86 -4.204 3.572 -0.648 1.00 0.00 S ATOM 1442 CE MET A 86 -2.510 3.933 -0.197 1.00 0.00 C ATOM 0 H MET A 86 -6.070 -0.030 1.218 1.00 0.00 H new ATOM 0 HA MET A 86 -6.599 2.629 0.216 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.456 0.085 -0.975 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.804 1.485 -1.970 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.920 1.442 0.413 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.434 1.389 -1.269 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.358 5.012 -0.189 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.304 3.530 0.795 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.835 3.476 -0.921 1.00 0.00 H new ATOM 1452 N SER A 87 -8.929 0.633 -0.001 1.00 0.00 N ATOM 1453 CA SER A 87 -10.274 0.465 -0.527 1.00 0.00 C ATOM 1454 C SER A 87 -10.957 1.826 -0.548 1.00 0.00 C ATOM 1455 O SER A 87 -11.710 2.149 -1.467 1.00 0.00 O ATOM 1456 CB SER A 87 -11.079 -0.531 0.322 1.00 0.00 C ATOM 1457 OG SER A 87 -11.460 0.033 1.567 1.00 0.00 O ATOM 0 H SER A 87 -8.760 0.185 0.900 1.00 0.00 H new ATOM 0 HA SER A 87 -10.221 0.060 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.969 -0.841 -0.226 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.483 -1.427 0.495 1.00 0.00 H new ATOM 0 HG SER A 87 -12.343 0.449 1.481 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.629 2.634 0.460 1.00 0.00 N ATOM 1464 CA GLN A 88 -11.180 3.973 0.613 1.00 0.00 C ATOM 1465 C GLN A 88 -10.900 4.818 -0.625 1.00 0.00 C ATOM 1466 O GLN A 88 -11.731 5.625 -1.033 1.00 0.00 O ATOM 1467 CB GLN A 88 -10.575 4.644 1.850 1.00 0.00 C ATOM 1468 CG GLN A 88 -11.153 6.015 2.158 1.00 0.00 C ATOM 1469 CD GLN A 88 -10.514 6.646 3.378 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -10.961 6.442 4.502 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -9.464 7.420 3.165 1.00 0.00 N ATOM 0 H GLN A 88 -9.971 2.374 1.194 1.00 0.00 H new ATOM 0 HA GLN A 88 -12.260 3.891 0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.727 3.995 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.498 4.739 1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.012 6.669 1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.228 5.927 2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.122 7.565 2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.996 7.872 3.950 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.731 4.615 -1.223 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.342 5.356 -2.418 1.00 0.00 C ATOM 1482 C ALA A 89 -10.307 5.073 -3.567 1.00 0.00 C ATOM 1483 O ALA A 89 -10.808 5.991 -4.220 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.913 5.007 -2.816 1.00 0.00 C ATOM 0 H ALA A 89 -9.035 3.943 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.387 6.422 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.637 5.567 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.235 5.265 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.843 3.939 -3.022 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.580 3.797 -3.791 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.528 3.377 -4.817 1.00 0.00 C ATOM 1492 C ARG A 90 -12.952 3.791 -4.445 1.00 0.00 C ATOM 1493 O ARG A 90 -13.690 4.318 -5.278 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.440 1.855 -5.013 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.721 1.200 -5.514 1.00 0.00 C ATOM 1496 CD ARG A 90 -13.062 1.564 -6.954 1.00 0.00 C ATOM 1497 NE ARG A 90 -14.343 0.975 -7.350 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.714 0.727 -8.605 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -13.949 1.085 -9.626 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -15.880 0.140 -8.835 1.00 0.00 N ATOM 0 H ARG A 90 -10.156 3.027 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.271 3.871 -5.754 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.638 1.640 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.161 1.396 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.622 0.117 -5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.548 1.493 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.107 2.648 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.274 1.212 -7.619 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.001 0.737 -6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.061 1.558 -9.457 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.248 0.888 -10.581 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.484 -0.117 -8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.173 -0.054 -9.792 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.321 3.568 -3.192 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.676 3.842 -2.730 1.00 0.00 C ATOM 1516 C GLU A 91 -14.988 5.336 -2.752 1.00 0.00 C ATOM 1517 O GLU A 91 -16.133 5.731 -2.951 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.874 3.280 -1.325 1.00 0.00 C ATOM 1519 CG GLU A 91 -14.726 1.767 -1.255 1.00 0.00 C ATOM 1520 CD GLU A 91 -14.957 1.223 0.136 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -16.129 0.987 0.493 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -13.975 1.025 0.880 1.00 0.00 O ATOM 0 H GLU A 91 -12.699 3.197 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.368 3.351 -3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.151 3.740 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.865 3.558 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.433 1.304 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.727 1.488 -1.589 1.00 0.00 H new ATOM 1529 N SER A 92 -13.968 6.162 -2.554 1.00 0.00 N ATOM 1530 CA SER A 92 -14.146 7.608 -2.595 1.00 0.00 C ATOM 1531 C SER A 92 -14.069 8.105 -4.043 1.00 0.00 C ATOM 1532 O SER A 92 -14.260 9.290 -4.324 1.00 0.00 O ATOM 1533 CB SER A 92 -13.089 8.302 -1.724 1.00 0.00 C ATOM 1534 OG SER A 92 -13.444 9.647 -1.449 1.00 0.00 O ATOM 0 H SER A 92 -13.013 5.857 -2.364 1.00 0.00 H new ATOM 0 HA SER A 92 -15.130 7.855 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.973 7.757 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.124 8.275 -2.230 1.00 0.00 H new ATOM 0 HG SER A 92 -13.792 10.066 -2.263 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.779 7.186 -4.958 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.772 7.514 -6.368 1.00 0.00 C ATOM 1542 C GLY A 93 -12.519 8.241 -6.808 1.00 0.00 C ATOM 1543 O GLY A 93 -12.452 8.742 -7.930 1.00 0.00 O ATOM 0 H GLY A 93 -13.548 6.216 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.874 6.597 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.641 8.132 -6.594 1.00 0.00 H new ATOM 1547 N LEU A 94 -11.522 8.305 -5.935 1.00 0.00 N ATOM 1548 CA LEU A 94 -10.277 8.980 -6.277 1.00 0.00 C ATOM 1549 C LEU A 94 -9.346 8.017 -7.006 1.00 0.00 C ATOM 1550 O LEU A 94 -8.377 8.429 -7.639 1.00 0.00 O ATOM 1551 CB LEU A 94 -9.614 9.596 -5.032 1.00 0.00 C ATOM 1552 CG LEU A 94 -9.128 8.620 -3.960 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.653 8.304 -4.153 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -9.376 9.190 -2.572 1.00 0.00 C ATOM 0 H LEU A 94 -11.549 7.904 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.499 9.807 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.763 10.193 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.326 10.281 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.691 7.692 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.326 7.608 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.503 7.854 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.072 9.223 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.025 8.483 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.838 10.132 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.443 9.364 -2.435 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.651 6.728 -6.915 1.00 0.00 N ATOM 1567 CA LEU A 95 -8.970 5.730 -7.723 1.00 0.00 C ATOM 1568 C LEU A 95 -9.954 5.112 -8.704 1.00 0.00 C ATOM 1569 O LEU A 95 -11.102 4.839 -8.351 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.338 4.636 -6.857 1.00 0.00 C ATOM 1571 CG LEU A 95 -6.806 4.598 -6.876 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.286 4.574 -8.304 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.227 5.785 -6.130 1.00 0.00 C ATOM 0 H LEU A 95 -10.364 6.352 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.166 6.226 -8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.670 4.771 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.714 3.668 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.488 3.685 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.196 4.547 -8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.666 3.689 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.622 5.468 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.138 5.736 -6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.561 6.709 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.565 5.764 -5.094 1.00 0.00 H new ATOM 1585 N LEU A 96 -9.500 4.911 -9.933 1.00 0.00 N ATOM 1586 CA LEU A 96 -10.336 4.354 -10.989 1.00 0.00 C ATOM 1587 C LEU A 96 -10.876 2.979 -10.608 1.00 0.00 C ATOM 1588 O LEU A 96 -12.081 2.745 -10.627 1.00 0.00 O ATOM 1589 CB LEU A 96 -9.533 4.253 -12.292 1.00 0.00 C ATOM 1590 CG LEU A 96 -10.217 3.486 -13.429 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -11.556 4.115 -13.774 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -9.318 3.437 -14.657 1.00 0.00 C ATOM 0 H LEU A 96 -8.547 5.128 -10.226 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.185 5.022 -11.132 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.309 5.261 -12.640 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.579 3.772 -12.075 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.397 2.465 -13.092 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -12.024 3.554 -14.583 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.204 4.095 -12.898 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.403 5.147 -14.089 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.820 2.889 -15.454 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.105 4.452 -14.993 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.384 2.935 -14.404 1.00 0.00 H new ATOM 1604 N GLN A 97 -9.977 2.081 -10.255 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.340 0.701 -9.986 1.00 0.00 C ATOM 1606 C GLN A 97 -9.586 0.186 -8.771 1.00 0.00 C ATOM 1607 O GLN A 97 -8.945 0.963 -8.065 1.00 0.00 O ATOM 1608 CB GLN A 97 -10.057 -0.162 -11.220 1.00 0.00 C ATOM 1609 CG GLN A 97 -11.103 -0.006 -12.317 1.00 0.00 C ATOM 1610 CD GLN A 97 -10.635 -0.531 -13.659 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -9.819 -1.449 -13.741 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -11.168 0.044 -14.727 1.00 0.00 N ATOM 0 H GLN A 97 -8.983 2.283 -10.147 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.406 0.646 -9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.078 0.100 -11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -10.009 -1.209 -10.920 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.011 -0.533 -12.023 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.364 1.048 -12.416 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.841 0.802 -14.616 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.905 -0.272 -15.661 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.680 -1.110 -8.521 1.00 0.00 N ATOM 1622 CA ASN A 98 -9.048 -1.715 -7.356 1.00 0.00 C ATOM 1623 C ASN A 98 -7.778 -2.475 -7.747 1.00 0.00 C ATOM 1624 O ASN A 98 -7.824 -3.642 -8.142 1.00 0.00 O ATOM 1625 CB ASN A 98 -10.043 -2.632 -6.620 1.00 0.00 C ATOM 1626 CG ASN A 98 -10.709 -3.673 -7.518 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -10.862 -3.484 -8.725 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -11.141 -4.770 -6.921 1.00 0.00 N ATOM 0 H ASN A 98 -10.190 -1.767 -9.111 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.753 -0.917 -6.675 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.520 -3.145 -5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.816 -2.017 -6.159 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.617 -5.491 -7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.998 -4.895 -5.919 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.613 -1.814 -7.627 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.322 -2.386 -8.011 1.00 0.00 C ATOM 1637 C PRO A 99 -4.802 -3.377 -6.979 1.00 0.00 C ATOM 1638 O PRO A 99 -4.009 -4.264 -7.292 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.388 -1.165 -8.097 1.00 0.00 C ATOM 1640 CG PRO A 99 -5.255 0.035 -7.876 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.454 -0.449 -7.119 1.00 0.00 C ATOM 0 HA PRO A 99 -5.391 -2.947 -8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.601 -1.222 -7.344 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.897 -1.118 -9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.723 0.801 -7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.549 0.483 -8.825 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.289 -0.433 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.334 0.163 -7.316 1.00 0.00 H new ATOM 1649 N THR A 100 -5.276 -3.235 -5.751 1.00 0.00 N ATOM 1650 CA THR A 100 -4.828 -4.072 -4.651 1.00 0.00 C ATOM 1651 C THR A 100 -5.366 -5.496 -4.782 1.00 0.00 C ATOM 1652 O THR A 100 -4.821 -6.432 -4.204 1.00 0.00 O ATOM 1653 CB THR A 100 -5.259 -3.468 -3.305 1.00 0.00 C ATOM 1654 OG1 THR A 100 -6.636 -3.067 -3.368 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.393 -2.267 -2.953 1.00 0.00 C ATOM 0 H THR A 100 -5.977 -2.541 -5.491 1.00 0.00 H new ATOM 0 HA THR A 100 -3.740 -4.115 -4.689 1.00 0.00 H new ATOM 0 HB THR A 100 -5.136 -4.227 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.782 -2.305 -2.770 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.715 -1.854 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.351 -2.578 -2.882 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.492 -1.507 -3.728 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.438 -5.649 -5.547 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.010 -6.961 -5.805 1.00 0.00 C ATOM 1665 C GLU A 101 -6.405 -7.549 -7.076 1.00 0.00 C ATOM 1666 O GLU A 101 -6.321 -8.767 -7.239 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.533 -6.851 -5.927 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.243 -8.185 -6.092 1.00 0.00 C ATOM 1669 CD GLU A 101 -10.748 -8.034 -6.093 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -11.338 -7.955 -4.997 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -11.346 -7.978 -7.188 1.00 0.00 O ATOM 0 H GLU A 101 -6.929 -4.878 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.779 -7.627 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.922 -6.352 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.773 -6.216 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.926 -8.651 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.947 -8.855 -5.284 1.00 0.00 H new ATOM 1678 N ALA A 102 -5.959 -6.666 -7.964 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.367 -7.076 -9.227 1.00 0.00 C ATOM 1680 C ALA A 102 -3.956 -7.615 -9.020 1.00 0.00 C ATOM 1681 O ALA A 102 -3.465 -8.417 -9.817 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.358 -5.910 -10.204 1.00 0.00 C ATOM 0 H ALA A 102 -5.998 -5.656 -7.828 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.973 -7.879 -9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.912 -6.228 -11.146 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.380 -5.575 -10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.775 -5.089 -9.786 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.323 -7.195 -7.930 1.00 0.00 N ATOM 1689 CA ALA A 103 -1.968 -7.624 -7.620 1.00 0.00 C ATOM 1690 C ALA A 103 -2.001 -8.933 -6.851 1.00 0.00 C ATOM 1691 O ALA A 103 -2.509 -8.999 -5.731 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.234 -6.554 -6.824 1.00 0.00 C ATOM 0 H ALA A 103 -3.729 -6.556 -7.246 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.429 -7.779 -8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.223 -6.895 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.187 -5.634 -7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.766 -6.365 -5.891 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.463 -9.972 -7.468 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.553 -11.320 -6.929 1.00 0.00 C ATOM 1700 C LYS A 104 -0.186 -11.803 -6.455 1.00 0.00 C ATOM 1701 O LYS A 104 0.838 -11.446 -7.039 1.00 0.00 O ATOM 1702 CB LYS A 104 -2.105 -12.257 -8.004 1.00 0.00 C ATOM 1703 CG LYS A 104 -3.412 -11.765 -8.608 1.00 0.00 C ATOM 1704 CD LYS A 104 -3.841 -12.607 -9.797 1.00 0.00 C ATOM 1705 CE LYS A 104 -5.046 -11.997 -10.496 1.00 0.00 C ATOM 1706 NZ LYS A 104 -4.753 -10.634 -11.020 1.00 0.00 N ATOM 0 H LYS A 104 -0.955 -9.907 -8.350 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.225 -11.317 -6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.364 -12.368 -8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.260 -13.245 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.193 -11.786 -7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.299 -10.727 -8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.014 -12.694 -10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.083 -13.616 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.355 -12.643 -11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.883 -11.946 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.549 -10.308 -11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.616 -9.978 -10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.889 -10.663 -11.598 1.00 0.00 H new