USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 805 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 25 TYR OH : rot 69:sc= 0.139 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -4.73! C(o=-4.6!,f=-9.6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 71:sc= 0.555 USER MOD Single : A 18 CYS SG : rot -132:sc= 0.225 USER MOD Single : A 19 GLN : amide:sc= 0.207 K(o=0.21,f=-1.1) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0915 X(o=-0.091,f=-0.22) USER MOD Single : A 22 THR OG1 : rot -69:sc= 0.515 USER MOD Single : A 26 GLN : amide:sc= -0.297 K(o=-0.3,f=-2.6!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 29 ASN : amide:sc= -3.03! C(o=-3!,f=-8.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -74:sc= 0.381 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 36 SER OG : rot -85:sc= 0.225 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 140:sc= -2.05! USER MOD Single : A 56 ASN : amide:sc= -0.626 X(o=-0.63,f=-0.93) USER MOD Single : A 59 SER OG : rot -61:sc= 0.858 USER MOD Single : A 61 ASN : amide:sc= -5.11! C(o=-5.1!,f=-12!) USER MOD Single : A 68 ASN : amide:sc= -5.43! C(o=-5.4!,f=-12!) USER MOD Single : A 69 ASN : amide:sc= -7.4! C(o=-7.4!,f=-13!) USER MOD Single : A 70 GLN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.047 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -124:sc= -1.89 (180deg=-2.51) USER MOD Single : A 93 SER OG : rot 84:sc= 0.621 USER MOD Single : A 95 GLN : amide:sc= -7.78! C(o=-7.8!,f=-8.9!) USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= -0.0538 (180deg=-0.363) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 144:sc= -0.4 (180deg=-1.68!) USER MOD Single : A 104 MET CE :methyl -159:sc= -0.0612 (180deg=-0.458) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -7.307 -8.224 3.143 1.00 0.00 N ATOM 136 CA SER A 12 -7.471 -8.016 4.577 1.00 0.00 C ATOM 137 C SER A 12 -6.492 -6.964 5.088 1.00 0.00 C ATOM 138 O SER A 12 -6.866 -6.063 5.839 1.00 0.00 O ATOM 139 CB SER A 12 -7.263 -9.331 5.331 1.00 0.00 C ATOM 140 OG SER A 12 -7.277 -9.123 6.733 1.00 0.00 O ATOM 0 HA SER A 12 -8.486 -7.660 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.046 -10.038 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.313 -9.777 5.036 1.00 0.00 H new ATOM 0 HG SER A 12 -7.144 -9.979 7.192 1.00 0.00 H new ATOM 146 N LYS A 13 -5.234 -7.084 4.676 1.00 0.00 N ATOM 147 CA LYS A 13 -4.200 -6.144 5.090 1.00 0.00 C ATOM 148 C LYS A 13 -4.536 -4.728 4.632 1.00 0.00 C ATOM 149 O LYS A 13 -4.208 -3.752 5.308 1.00 0.00 O ATOM 150 CB LYS A 13 -2.842 -6.565 4.522 1.00 0.00 C ATOM 151 CG LYS A 13 -2.113 -7.583 5.382 1.00 0.00 C ATOM 152 CD LYS A 13 -1.040 -8.314 4.592 1.00 0.00 C ATOM 153 CE LYS A 13 -0.741 -9.680 5.190 1.00 0.00 C ATOM 154 NZ LYS A 13 -0.152 -10.608 4.186 1.00 0.00 N ATOM 0 H LYS A 13 -4.906 -7.824 4.055 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.151 -6.153 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.988 -6.981 3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.215 -5.681 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.659 -7.081 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.828 -8.303 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.364 -8.431 3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.129 -7.716 4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.053 -9.567 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.660 -10.111 5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.037 -11.528 4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.819 -10.736 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.738 -10.209 3.825 1.00 0.00 H new ATOM 168 N LEU A 14 -5.194 -4.624 3.483 1.00 0.00 N ATOM 169 CA LEU A 14 -5.577 -3.327 2.936 1.00 0.00 C ATOM 170 C LEU A 14 -6.598 -2.637 3.835 1.00 0.00 C ATOM 171 O LEU A 14 -6.426 -1.477 4.213 1.00 0.00 O ATOM 172 CB LEU A 14 -6.151 -3.494 1.528 1.00 0.00 C ATOM 173 CG LEU A 14 -6.555 -2.206 0.810 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.351 -1.293 0.633 1.00 0.00 C ATOM 175 CD2 LEU A 14 -7.189 -2.522 -0.537 1.00 0.00 C ATOM 0 H LEU A 14 -5.473 -5.422 2.912 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.684 -2.704 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.413 -4.011 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.025 -4.142 1.588 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.292 -1.687 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.658 -0.381 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.940 -1.039 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.591 -1.804 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.470 -1.593 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.475 -3.063 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.077 -3.136 -0.386 1.00 0.00 H new ATOM 187 N LEU A 15 -7.661 -3.357 4.176 1.00 0.00 N ATOM 188 CA LEU A 15 -8.710 -2.816 5.033 1.00 0.00 C ATOM 189 C LEU A 15 -8.140 -2.374 6.377 1.00 0.00 C ATOM 190 O LEU A 15 -8.524 -1.335 6.916 1.00 0.00 O ATOM 191 CB LEU A 15 -9.808 -3.858 5.249 1.00 0.00 C ATOM 192 CG LEU A 15 -10.968 -3.434 6.151 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.780 -2.330 5.492 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.853 -4.628 6.479 1.00 0.00 C ATOM 0 H LEU A 15 -7.819 -4.318 3.872 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.138 -1.945 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.213 -4.136 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.353 -4.753 5.673 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.556 -3.047 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.601 -2.041 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.140 -1.467 5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.182 -2.690 4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.673 -4.307 7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.257 -5.046 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.264 -5.387 6.994 1.00 0.00 H new ATOM 206 N THR A 16 -7.220 -3.169 6.915 1.00 0.00 N ATOM 207 CA THR A 16 -6.597 -2.860 8.195 1.00 0.00 C ATOM 208 C THR A 16 -5.950 -1.480 8.173 1.00 0.00 C ATOM 209 O THR A 16 -6.310 -0.604 8.959 1.00 0.00 O ATOM 210 CB THR A 16 -5.530 -3.908 8.568 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.113 -5.216 8.580 1.00 0.00 O ATOM 212 CG2 THR A 16 -4.926 -3.603 9.930 1.00 0.00 C ATOM 0 H THR A 16 -6.890 -4.032 6.483 1.00 0.00 H new ATOM 0 HA THR A 16 -7.389 -2.875 8.944 1.00 0.00 H new ATOM 0 HB THR A 16 -4.737 -3.871 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.311 -5.494 7.661 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.176 -4.356 10.172 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.459 -2.619 9.909 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.710 -3.616 10.687 1.00 0.00 H new ATOM 220 N TRP A 17 -4.996 -1.293 7.269 1.00 0.00 N ATOM 221 CA TRP A 17 -4.300 -0.017 7.145 1.00 0.00 C ATOM 222 C TRP A 17 -5.291 1.140 7.090 1.00 0.00 C ATOM 223 O TRP A 17 -5.146 2.128 7.811 1.00 0.00 O ATOM 224 CB TRP A 17 -3.421 -0.012 5.893 1.00 0.00 C ATOM 225 CG TRP A 17 -2.546 1.200 5.787 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.418 1.461 6.511 1.00 0.00 C ATOM 227 CD2 TRP A 17 -2.728 2.314 4.906 1.00 0.00 C ATOM 228 NE1 TRP A 17 -0.887 2.672 6.134 1.00 0.00 N ATOM 229 CE2 TRP A 17 -1.672 3.214 5.150 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.678 2.638 3.935 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -1.543 4.415 4.458 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.549 3.831 3.249 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.488 4.707 3.512 1.00 0.00 C ATOM 0 H TRP A 17 -4.686 -2.008 6.611 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.669 0.111 8.024 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.795 -0.904 5.894 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.058 -0.070 5.010 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.004 0.812 7.268 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.046 3.098 6.523 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.499 1.968 3.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.726 5.092 4.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.279 4.092 2.497 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.414 5.631 2.957 1.00 0.00 H new ATOM 244 N CYS A 18 -6.297 1.012 6.232 1.00 0.00 N ATOM 245 CA CYS A 18 -7.312 2.049 6.083 1.00 0.00 C ATOM 246 C CYS A 18 -8.042 2.288 7.401 1.00 0.00 C ATOM 247 O CYS A 18 -8.162 3.425 7.857 1.00 0.00 O ATOM 248 CB CYS A 18 -8.313 1.660 4.995 1.00 0.00 C ATOM 249 SG CYS A 18 -7.565 1.368 3.374 1.00 0.00 S ATOM 0 H CYS A 18 -6.432 0.200 5.629 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.812 2.973 5.792 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.841 0.759 5.307 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.058 2.450 4.902 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.238 2.007 2.464 1.00 0.00 H new ATOM 255 N GLN A 19 -8.529 1.209 8.005 1.00 0.00 N ATOM 256 CA GLN A 19 -9.249 1.302 9.270 1.00 0.00 C ATOM 257 C GLN A 19 -8.446 2.093 10.297 1.00 0.00 C ATOM 258 O GLN A 19 -9.010 2.841 11.096 1.00 0.00 O ATOM 259 CB GLN A 19 -9.556 -0.095 9.810 1.00 0.00 C ATOM 260 CG GLN A 19 -10.795 -0.727 9.197 1.00 0.00 C ATOM 261 CD GLN A 19 -11.217 -1.996 9.911 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.600 -2.403 10.896 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.275 -2.629 9.417 1.00 0.00 N ATOM 0 H GLN A 19 -8.438 0.261 7.639 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.187 1.827 9.088 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.699 -0.743 9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.685 -0.037 10.891 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.615 -0.010 9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.602 -0.952 8.148 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.756 -2.256 8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.606 -3.488 9.856 1.00 0.00 H new ATOM 272 N GLN A 20 -7.129 1.922 10.270 1.00 0.00 N ATOM 273 CA GLN A 20 -6.249 2.620 11.200 1.00 0.00 C ATOM 274 C GLN A 20 -6.245 4.120 10.924 1.00 0.00 C ATOM 275 O GLN A 20 -6.408 4.929 11.838 1.00 0.00 O ATOM 276 CB GLN A 20 -4.826 2.067 11.102 1.00 0.00 C ATOM 277 CG GLN A 20 -4.684 0.654 11.644 1.00 0.00 C ATOM 278 CD GLN A 20 -3.257 0.318 12.029 1.00 0.00 C ATOM 279 OE1 GLN A 20 -2.914 0.278 13.211 1.00 0.00 O ATOM 280 NE2 GLN A 20 -2.416 0.073 11.031 1.00 0.00 N ATOM 0 H GLN A 20 -6.647 1.306 9.615 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.626 2.456 12.210 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.511 2.080 10.059 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.151 2.726 11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.329 0.536 12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.030 -0.056 10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.743 0.117 10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.443 -0.159 11.230 1.00 0.00 H new ATOM 289 N GLN A 21 -6.056 4.484 9.660 1.00 0.00 N ATOM 290 CA GLN A 21 -6.029 5.887 9.265 1.00 0.00 C ATOM 291 C GLN A 21 -7.370 6.557 9.545 1.00 0.00 C ATOM 292 O GLN A 21 -7.423 7.683 10.041 1.00 0.00 O ATOM 293 CB GLN A 21 -5.683 6.014 7.780 1.00 0.00 C ATOM 294 CG GLN A 21 -4.372 5.343 7.402 1.00 0.00 C ATOM 295 CD GLN A 21 -3.207 5.821 8.246 1.00 0.00 C ATOM 296 OE1 GLN A 21 -3.078 7.012 8.530 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.351 4.891 8.654 1.00 0.00 N ATOM 0 H GLN A 21 -5.919 3.827 8.892 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.262 6.390 9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.488 5.578 7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.630 7.070 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.476 4.264 7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.158 5.538 6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.496 3.915 8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.548 5.153 9.226 1.00 0.00 H new ATOM 306 N THR A 22 -8.455 5.858 9.224 1.00 0.00 N ATOM 307 CA THR A 22 -9.796 6.385 9.440 1.00 0.00 C ATOM 308 C THR A 22 -10.163 6.365 10.920 1.00 0.00 C ATOM 309 O THR A 22 -10.967 7.176 11.379 1.00 0.00 O ATOM 310 CB THR A 22 -10.848 5.584 8.651 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.597 4.180 8.784 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.831 5.970 7.180 1.00 0.00 C ATOM 0 H THR A 22 -8.430 4.925 8.813 1.00 0.00 H new ATOM 0 HA THR A 22 -9.792 7.415 9.083 1.00 0.00 H new ATOM 0 HB THR A 22 -11.831 5.817 9.060 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.774 3.948 8.305 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.582 5.391 6.643 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.052 7.033 7.080 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.846 5.763 6.761 1.00 0.00 H new ATOM 320 N GLU A 23 -9.568 5.436 11.660 1.00 0.00 N ATOM 321 CA GLU A 23 -9.834 5.312 13.088 1.00 0.00 C ATOM 322 C GLU A 23 -9.742 6.670 13.779 1.00 0.00 C ATOM 323 O GLU A 23 -8.823 7.447 13.524 1.00 0.00 O ATOM 324 CB GLU A 23 -8.848 4.334 13.730 1.00 0.00 C ATOM 325 CG GLU A 23 -8.994 4.224 15.239 1.00 0.00 C ATOM 326 CD GLU A 23 -7.747 3.678 15.908 1.00 0.00 C ATOM 327 OE1 GLU A 23 -7.267 2.607 15.482 1.00 0.00 O ATOM 328 OE2 GLU A 23 -7.252 4.321 16.856 1.00 0.00 O ATOM 0 H GLU A 23 -8.899 4.758 11.295 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.847 4.929 13.210 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.987 3.348 13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.831 4.649 13.494 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.222 5.207 15.651 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.840 3.577 15.472 1.00 0.00 H new ATOM 335 N GLY A 24 -10.704 6.948 14.654 1.00 0.00 N ATOM 336 CA GLY A 24 -10.714 8.212 15.367 1.00 0.00 C ATOM 337 C GLY A 24 -11.783 9.158 14.855 1.00 0.00 C ATOM 338 O GLY A 24 -12.457 9.826 15.639 1.00 0.00 O ATOM 0 H GLY A 24 -11.476 6.321 14.882 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.876 8.026 16.429 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.737 8.687 15.272 1.00 0.00 H new ATOM 342 N TYR A 25 -11.937 9.216 13.537 1.00 0.00 N ATOM 343 CA TYR A 25 -12.928 10.090 12.921 1.00 0.00 C ATOM 344 C TYR A 25 -14.321 9.809 13.474 1.00 0.00 C ATOM 345 O TYR A 25 -14.539 8.806 14.154 1.00 0.00 O ATOM 346 CB TYR A 25 -12.924 9.910 11.402 1.00 0.00 C ATOM 347 CG TYR A 25 -11.950 10.819 10.686 1.00 0.00 C ATOM 348 CD1 TYR A 25 -12.332 12.089 10.272 1.00 0.00 C ATOM 349 CD2 TYR A 25 -10.649 10.408 10.424 1.00 0.00 C ATOM 350 CE1 TYR A 25 -11.446 12.923 9.617 1.00 0.00 C ATOM 351 CE2 TYR A 25 -9.757 11.235 9.772 1.00 0.00 C ATOM 352 CZ TYR A 25 -10.160 12.492 9.370 1.00 0.00 C ATOM 353 OH TYR A 25 -9.273 13.319 8.718 1.00 0.00 O ATOM 0 H TYR A 25 -11.388 8.668 12.875 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.664 11.120 13.159 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.680 8.874 11.168 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.928 10.095 11.020 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -13.338 12.430 10.465 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.330 9.424 10.736 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.759 13.907 9.300 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.749 10.900 9.577 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.038 14.071 9.301 1.00 0.00 H new ATOM 363 N GLN A 26 -15.260 10.701 13.177 1.00 0.00 N ATOM 364 CA GLN A 26 -16.633 10.549 13.644 1.00 0.00 C ATOM 365 C GLN A 26 -17.554 10.133 12.502 1.00 0.00 C ATOM 366 O GLN A 26 -17.353 10.527 11.353 1.00 0.00 O ATOM 367 CB GLN A 26 -17.130 11.855 14.265 1.00 0.00 C ATOM 368 CG GLN A 26 -17.451 12.933 13.242 1.00 0.00 C ATOM 369 CD GLN A 26 -16.261 13.822 12.938 1.00 0.00 C ATOM 370 OE1 GLN A 26 -15.198 13.685 13.545 1.00 0.00 O ATOM 371 NE2 GLN A 26 -16.433 14.739 11.994 1.00 0.00 N ATOM 0 H GLN A 26 -15.095 11.536 12.615 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.647 9.766 14.402 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -18.023 11.650 14.856 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.372 12.232 14.952 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.794 12.463 12.320 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -18.273 13.546 13.612 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.331 14.817 11.517 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.667 15.365 11.746 1.00 0.00 H new ATOM 380 N HIS A 27 -18.566 9.333 12.825 1.00 0.00 N ATOM 381 CA HIS A 27 -19.518 8.863 11.826 1.00 0.00 C ATOM 382 C HIS A 27 -18.797 8.186 10.664 1.00 0.00 C ATOM 383 O HIS A 27 -19.247 8.249 9.520 1.00 0.00 O ATOM 384 CB HIS A 27 -20.363 10.028 11.308 1.00 0.00 C ATOM 385 CG HIS A 27 -21.119 10.744 12.384 1.00 0.00 C ATOM 386 ND1 HIS A 27 -20.709 11.652 13.300 1.00 0.00 N flip ATOM 387 CD2 HIS A 27 -22.466 10.555 12.610 1.00 0.00 C flip ATOM 388 CE1 HIS A 27 -21.805 11.993 14.054 1.00 0.00 C flip ATOM 389 NE2 HIS A 27 -22.852 11.317 13.618 1.00 0.00 N flip ATOM 0 H HIS A 27 -18.747 8.997 13.771 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.173 8.132 12.300 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.713 10.739 10.797 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -21.069 9.653 10.567 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -23.106 9.888 12.051 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -21.810 12.699 14.871 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -23.798 11.373 13.995 1.00 0.00 H new ATOM 398 N VAL A 28 -17.676 7.539 10.966 1.00 0.00 N ATOM 399 CA VAL A 28 -16.893 6.850 9.947 1.00 0.00 C ATOM 400 C VAL A 28 -16.663 5.391 10.324 1.00 0.00 C ATOM 401 O VAL A 28 -15.819 5.082 11.164 1.00 0.00 O ATOM 402 CB VAL A 28 -15.530 7.534 9.729 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.648 6.690 8.821 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.720 8.930 9.155 1.00 0.00 C ATOM 0 H VAL A 28 -17.290 7.478 11.908 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.467 6.897 9.021 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.032 7.628 10.694 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.690 7.189 8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.484 5.714 9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.137 6.562 7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.747 9.398 9.008 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.239 8.863 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.311 9.531 9.847 1.00 0.00 H new ATOM 414 N ASN A 29 -17.420 4.497 9.696 1.00 0.00 N ATOM 415 CA ASN A 29 -17.298 3.069 9.966 1.00 0.00 C ATOM 416 C ASN A 29 -16.798 2.323 8.732 1.00 0.00 C ATOM 417 O ASN A 29 -17.547 2.103 7.781 1.00 0.00 O ATOM 418 CB ASN A 29 -18.646 2.497 10.410 1.00 0.00 C ATOM 419 CG ASN A 29 -18.791 1.027 10.066 1.00 0.00 C ATOM 420 OD1 ASN A 29 -18.089 0.177 10.615 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.706 0.720 9.154 1.00 0.00 N ATOM 0 H ASN A 29 -18.124 4.736 8.997 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.572 2.936 10.768 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.757 2.628 11.486 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.450 3.059 9.936 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.849 -0.253 8.883 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.266 1.457 8.725 1.00 0.00 H new ATOM 428 N VAL A 30 -15.527 1.936 8.757 1.00 0.00 N ATOM 429 CA VAL A 30 -14.926 1.213 7.642 1.00 0.00 C ATOM 430 C VAL A 30 -15.012 -0.294 7.854 1.00 0.00 C ATOM 431 O VAL A 30 -14.253 -0.867 8.637 1.00 0.00 O ATOM 432 CB VAL A 30 -13.450 1.610 7.446 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.828 0.807 6.314 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.331 3.103 7.180 1.00 0.00 C ATOM 0 H VAL A 30 -14.893 2.111 9.537 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.489 1.484 6.749 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.905 1.383 8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.786 1.100 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.880 -0.256 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.372 1.000 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.282 3.366 7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.889 3.358 6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.737 3.657 8.026 1.00 0.00 H new ATOM 444 N THR A 31 -15.941 -0.933 7.151 1.00 0.00 N ATOM 445 CA THR A 31 -16.127 -2.374 7.262 1.00 0.00 C ATOM 446 C THR A 31 -15.845 -3.069 5.935 1.00 0.00 C ATOM 447 O THR A 31 -15.420 -4.224 5.906 1.00 0.00 O ATOM 448 CB THR A 31 -17.557 -2.722 7.717 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.511 -2.164 6.806 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.821 -2.198 9.120 1.00 0.00 C ATOM 0 H THR A 31 -16.577 -0.475 6.498 1.00 0.00 H new ATOM 0 HA THR A 31 -15.419 -2.727 8.011 1.00 0.00 H new ATOM 0 HB THR A 31 -17.657 -3.807 7.727 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.417 -2.391 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.837 -2.456 9.420 1.00 0.00 H new ATOM 0 HG22 THR A 31 -17.112 -2.648 9.816 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.703 -1.114 9.132 1.00 0.00 H new ATOM 458 N ASP A 32 -16.084 -2.359 4.838 1.00 0.00 N ATOM 459 CA ASP A 32 -15.853 -2.907 3.506 1.00 0.00 C ATOM 460 C ASP A 32 -15.061 -1.928 2.645 1.00 0.00 C ATOM 461 O ASP A 32 -14.632 -0.875 3.118 1.00 0.00 O ATOM 462 CB ASP A 32 -17.184 -3.239 2.831 1.00 0.00 C ATOM 463 CG ASP A 32 -17.062 -4.377 1.837 1.00 0.00 C ATOM 464 OD1 ASP A 32 -16.201 -5.257 2.047 1.00 0.00 O ATOM 465 OD2 ASP A 32 -17.825 -4.388 0.849 1.00 0.00 O ATOM 0 H ASP A 32 -16.438 -1.402 4.845 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.270 -3.822 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.918 -3.503 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.560 -2.353 2.320 1.00 0.00 H new ATOM 470 N LEU A 33 -14.870 -2.283 1.379 1.00 0.00 N ATOM 471 CA LEU A 33 -14.128 -1.436 0.451 1.00 0.00 C ATOM 472 C LEU A 33 -14.970 -1.108 -0.778 1.00 0.00 C ATOM 473 O LEU A 33 -14.437 -0.835 -1.854 1.00 0.00 O ATOM 474 CB LEU A 33 -12.831 -2.126 0.026 1.00 0.00 C ATOM 475 CG LEU A 33 -11.930 -2.618 1.160 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.949 -3.661 0.647 1.00 0.00 C ATOM 477 CD2 LEU A 33 -11.186 -1.451 1.794 1.00 0.00 C ATOM 0 H LEU A 33 -15.218 -3.151 0.972 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.886 -0.504 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.086 -2.978 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.259 -1.433 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.557 -3.081 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.316 -4.000 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.500 -4.509 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.327 -3.223 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.550 -1.819 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.570 -0.960 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.905 -0.737 2.197 1.00 0.00 H new ATOM 489 N THR A 34 -16.288 -1.135 -0.611 1.00 0.00 N ATOM 490 CA THR A 34 -17.204 -0.840 -1.706 1.00 0.00 C ATOM 491 C THR A 34 -18.255 0.181 -1.284 1.00 0.00 C ATOM 492 O THR A 34 -18.637 1.053 -2.064 1.00 0.00 O ATOM 493 CB THR A 34 -17.913 -2.114 -2.204 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.322 -2.915 -1.090 1.00 0.00 O ATOM 495 CG2 THR A 34 -16.996 -2.924 -3.109 1.00 0.00 C ATOM 0 H THR A 34 -16.746 -1.358 0.273 1.00 0.00 H new ATOM 0 HA THR A 34 -16.604 -0.426 -2.517 1.00 0.00 H new ATOM 0 HB THR A 34 -18.791 -1.815 -2.776 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.539 -3.357 -0.700 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.518 -3.819 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.711 -2.321 -3.971 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.102 -3.213 -2.556 1.00 0.00 H new ATOM 503 N THR A 35 -18.719 0.067 -0.043 1.00 0.00 N ATOM 504 CA THR A 35 -19.726 0.979 0.482 1.00 0.00 C ATOM 505 C THR A 35 -19.089 2.068 1.338 1.00 0.00 C ATOM 506 O THR A 35 -19.371 3.253 1.163 1.00 0.00 O ATOM 507 CB THR A 35 -20.778 0.231 1.323 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.145 -0.435 2.420 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.529 -0.782 0.473 1.00 0.00 C ATOM 0 H THR A 35 -18.413 -0.648 0.617 1.00 0.00 H new ATOM 0 HA THR A 35 -20.217 1.436 -0.377 1.00 0.00 H new ATOM 0 HB THR A 35 -21.491 0.961 1.705 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.821 -0.907 2.950 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.266 -1.298 1.088 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.034 -0.268 -0.344 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.825 -1.508 0.065 1.00 0.00 H new ATOM 517 N SER A 36 -18.227 1.658 2.263 1.00 0.00 N ATOM 518 CA SER A 36 -17.552 2.599 3.149 1.00 0.00 C ATOM 519 C SER A 36 -16.864 3.701 2.348 1.00 0.00 C ATOM 520 O SER A 36 -16.602 4.787 2.865 1.00 0.00 O ATOM 521 CB SER A 36 -16.526 1.868 4.017 1.00 0.00 C ATOM 522 OG SER A 36 -17.157 1.184 5.086 1.00 0.00 O ATOM 0 H SER A 36 -17.980 0.681 2.418 1.00 0.00 H new ATOM 0 HA SER A 36 -18.303 3.056 3.793 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.968 1.158 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.805 2.583 4.414 1.00 0.00 H new ATOM 0 HG SER A 36 -17.284 1.799 5.838 1.00 0.00 H new ATOM 528 N TRP A 37 -16.575 3.412 1.085 1.00 0.00 N ATOM 529 CA TRP A 37 -15.917 4.378 0.212 1.00 0.00 C ATOM 530 C TRP A 37 -16.833 4.784 -0.938 1.00 0.00 C ATOM 531 O TRP A 37 -16.366 5.119 -2.027 1.00 0.00 O ATOM 532 CB TRP A 37 -14.615 3.795 -0.339 1.00 0.00 C ATOM 533 CG TRP A 37 -13.832 3.023 0.681 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.220 1.879 1.317 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.529 3.341 1.182 1.00 0.00 C ATOM 536 NE1 TRP A 37 -13.237 1.466 2.184 1.00 0.00 N ATOM 537 CE2 TRP A 37 -12.189 2.346 2.118 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.616 4.369 0.929 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.975 2.351 2.802 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.413 4.373 1.608 1.00 0.00 C ATOM 541 CH2 TRP A 37 -10.101 3.369 2.534 1.00 0.00 C ATOM 0 H TRP A 37 -16.785 2.518 0.642 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.688 5.266 0.801 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.845 3.142 -1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -13.996 4.606 -0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -15.161 1.373 1.162 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -13.281 0.639 2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.847 5.146 0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.733 1.579 3.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.701 5.163 1.422 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.151 3.399 3.047 1.00 0.00 H new ATOM 552 N ARG A 38 -18.138 4.751 -0.690 1.00 0.00 N ATOM 553 CA ARG A 38 -19.118 5.114 -1.706 1.00 0.00 C ATOM 554 C ARG A 38 -19.372 6.619 -1.703 1.00 0.00 C ATOM 555 O ARG A 38 -19.593 7.224 -2.752 1.00 0.00 O ATOM 556 CB ARG A 38 -20.431 4.365 -1.469 1.00 0.00 C ATOM 557 CG ARG A 38 -21.220 4.880 -0.277 1.00 0.00 C ATOM 558 CD ARG A 38 -22.236 3.855 0.203 1.00 0.00 C ATOM 559 NE ARG A 38 -23.247 4.452 1.072 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.282 5.153 0.622 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.443 5.343 -0.680 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.160 5.664 1.476 1.00 0.00 N ATOM 0 H ARG A 38 -18.541 4.477 0.206 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.717 4.832 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.049 4.441 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.214 3.307 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.536 5.124 0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.733 5.802 -0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.723 3.397 -0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -21.721 3.058 0.740 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.153 4.324 2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -23.771 4.951 -1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -25.239 5.882 -1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.040 5.519 2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -25.954 6.202 1.130 1.00 0.00 H new ATOM 576 N SER A 39 -19.339 7.217 -0.516 1.00 0.00 N ATOM 577 CA SER A 39 -19.569 8.650 -0.376 1.00 0.00 C ATOM 578 C SER A 39 -18.274 9.431 -0.578 1.00 0.00 C ATOM 579 O SER A 39 -18.273 10.512 -1.165 1.00 0.00 O ATOM 580 CB SER A 39 -20.156 8.962 1.002 1.00 0.00 C ATOM 581 OG SER A 39 -20.518 10.328 1.106 1.00 0.00 O ATOM 0 H SER A 39 -19.155 6.731 0.362 1.00 0.00 H new ATOM 0 HA SER A 39 -20.280 8.955 -1.144 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.031 8.336 1.178 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.428 8.716 1.775 1.00 0.00 H new ATOM 0 HG SER A 39 -20.892 10.501 1.995 1.00 0.00 H new ATOM 587 N GLY A 40 -17.172 8.874 -0.085 1.00 0.00 N ATOM 588 CA GLY A 40 -15.885 9.531 -0.220 1.00 0.00 C ATOM 589 C GLY A 40 -15.221 9.789 1.118 1.00 0.00 C ATOM 590 O GLY A 40 -14.003 9.664 1.250 1.00 0.00 O ATOM 0 H GLY A 40 -17.148 7.980 0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.229 8.915 -0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.017 10.477 -0.745 1.00 0.00 H new ATOM 594 N LEU A 41 -16.023 10.150 2.114 1.00 0.00 N ATOM 595 CA LEU A 41 -15.507 10.428 3.450 1.00 0.00 C ATOM 596 C LEU A 41 -14.330 9.515 3.779 1.00 0.00 C ATOM 597 O LEU A 41 -13.276 9.978 4.215 1.00 0.00 O ATOM 598 CB LEU A 41 -16.612 10.251 4.492 1.00 0.00 C ATOM 599 CG LEU A 41 -17.880 11.077 4.273 1.00 0.00 C ATOM 600 CD1 LEU A 41 -18.966 10.659 5.252 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.579 12.563 4.410 1.00 0.00 C ATOM 0 H LEU A 41 -17.033 10.257 2.022 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.159 11.461 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.890 9.197 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.204 10.502 5.471 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.241 10.891 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.860 11.258 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.202 9.605 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.615 10.814 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.493 13.136 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.193 12.765 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.835 12.853 3.668 1.00 0.00 H new ATOM 613 N ALA A 42 -14.518 8.217 3.567 1.00 0.00 N ATOM 614 CA ALA A 42 -13.471 7.239 3.837 1.00 0.00 C ATOM 615 C ALA A 42 -12.106 7.761 3.399 1.00 0.00 C ATOM 616 O ALA A 42 -11.230 8.010 4.227 1.00 0.00 O ATOM 617 CB ALA A 42 -13.784 5.924 3.140 1.00 0.00 C ATOM 0 H ALA A 42 -15.386 7.818 3.209 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.437 7.068 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.994 5.203 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.735 5.536 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.848 6.089 2.064 1.00 0.00 H new ATOM 623 N LEU A 43 -11.933 7.923 2.092 1.00 0.00 N ATOM 624 CA LEU A 43 -10.674 8.415 1.543 1.00 0.00 C ATOM 625 C LEU A 43 -10.323 9.781 2.122 1.00 0.00 C ATOM 626 O LEU A 43 -9.256 9.963 2.709 1.00 0.00 O ATOM 627 CB LEU A 43 -10.759 8.501 0.018 1.00 0.00 C ATOM 628 CG LEU A 43 -9.465 8.874 -0.707 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.342 7.927 -0.314 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.674 8.859 -2.214 1.00 0.00 C ATOM 0 H LEU A 43 -12.648 7.721 1.393 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.888 7.712 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.100 7.538 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.522 9.234 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.183 9.884 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.429 8.207 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.175 7.987 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.616 6.907 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.743 9.127 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.981 7.862 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.449 9.578 -2.481 1.00 0.00 H new ATOM 642 N CYS A 44 -11.229 10.738 1.956 1.00 0.00 N ATOM 643 CA CYS A 44 -11.017 12.089 2.464 1.00 0.00 C ATOM 644 C CYS A 44 -10.284 12.058 3.801 1.00 0.00 C ATOM 645 O CYS A 44 -9.373 12.850 4.040 1.00 0.00 O ATOM 646 CB CYS A 44 -12.354 12.815 2.618 1.00 0.00 C ATOM 647 SG CYS A 44 -13.205 13.134 1.055 1.00 0.00 S ATOM 0 H CYS A 44 -12.118 10.604 1.474 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.401 12.628 1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.006 12.222 3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.184 13.764 3.127 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.480 12.929 1.205 1.00 0.00 H new ATOM 653 N ALA A 45 -10.690 11.139 4.671 1.00 0.00 N ATOM 654 CA ALA A 45 -10.072 11.004 5.984 1.00 0.00 C ATOM 655 C ALA A 45 -8.583 10.696 5.861 1.00 0.00 C ATOM 656 O ALA A 45 -7.750 11.358 6.481 1.00 0.00 O ATOM 657 CB ALA A 45 -10.772 9.919 6.788 1.00 0.00 C ATOM 0 H ALA A 45 -11.444 10.477 4.490 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.178 11.954 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.300 9.829 7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.823 10.181 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.696 8.969 6.260 1.00 0.00 H new ATOM 663 N ILE A 46 -8.256 9.689 5.059 1.00 0.00 N ATOM 664 CA ILE A 46 -6.868 9.295 4.855 1.00 0.00 C ATOM 665 C ILE A 46 -6.014 10.486 4.434 1.00 0.00 C ATOM 666 O ILE A 46 -4.964 10.749 5.021 1.00 0.00 O ATOM 667 CB ILE A 46 -6.747 8.189 3.791 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.411 6.901 4.283 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.285 7.939 3.449 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.556 5.847 3.208 1.00 0.00 C ATOM 0 H ILE A 46 -8.934 9.131 4.540 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.506 8.911 5.809 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.261 8.519 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.825 6.491 5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.397 7.140 4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.217 7.154 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.840 8.855 3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.750 7.628 4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.034 4.962 3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.167 6.238 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.571 5.580 2.825 1.00 0.00 H new ATOM 682 N ILE A 47 -6.473 11.204 3.415 1.00 0.00 N ATOM 683 CA ILE A 47 -5.753 12.370 2.917 1.00 0.00 C ATOM 684 C ILE A 47 -5.691 13.470 3.971 1.00 0.00 C ATOM 685 O ILE A 47 -4.610 13.859 4.416 1.00 0.00 O ATOM 686 CB ILE A 47 -6.406 12.933 1.641 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.478 11.853 0.559 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.633 14.143 1.140 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.467 12.166 -0.542 1.00 0.00 C ATOM 0 H ILE A 47 -7.340 10.999 2.918 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.742 12.039 2.682 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.422 13.249 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.488 11.722 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.750 10.904 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.107 14.529 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.630 14.916 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.607 13.852 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.465 11.358 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.465 12.268 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.184 13.098 -1.031 1.00 0.00 H new ATOM 701 N HIS A 48 -6.858 13.967 4.369 1.00 0.00 N ATOM 702 CA HIS A 48 -6.937 15.021 5.374 1.00 0.00 C ATOM 703 C HIS A 48 -5.984 14.740 6.532 1.00 0.00 C ATOM 704 O HIS A 48 -5.299 15.641 7.016 1.00 0.00 O ATOM 705 CB HIS A 48 -8.369 15.150 5.896 1.00 0.00 C ATOM 706 CG HIS A 48 -8.478 15.963 7.149 1.00 0.00 C ATOM 707 ND1 HIS A 48 -7.867 15.607 8.333 1.00 0.00 N ATOM 708 CD2 HIS A 48 -9.132 17.122 7.398 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.141 16.511 9.256 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.907 17.441 8.715 1.00 0.00 N ATOM 0 H HIS A 48 -7.761 13.657 4.011 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.643 15.960 4.905 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.989 15.604 5.123 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.770 14.154 6.083 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.721 17.690 6.693 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.797 16.493 10.280 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.272 18.263 9.197 1.00 0.00 H new ATOM 719 N ARG A 49 -5.947 13.486 6.971 1.00 0.00 N ATOM 720 CA ARG A 49 -5.080 13.088 8.073 1.00 0.00 C ATOM 721 C ARG A 49 -3.699 13.723 7.935 1.00 0.00 C ATOM 722 O ARG A 49 -3.272 14.497 8.792 1.00 0.00 O ATOM 723 CB ARG A 49 -4.950 11.565 8.123 1.00 0.00 C ATOM 724 CG ARG A 49 -4.245 11.054 9.369 1.00 0.00 C ATOM 725 CD ARG A 49 -5.216 10.878 10.526 1.00 0.00 C ATOM 726 NE ARG A 49 -4.530 10.831 11.814 1.00 0.00 N ATOM 727 CZ ARG A 49 -4.149 11.913 12.484 1.00 0.00 C ATOM 728 NH1 ARG A 49 -4.385 13.121 11.989 1.00 0.00 N ATOM 729 NH2 ARG A 49 -3.529 11.789 13.651 1.00 0.00 N ATOM 0 H ARG A 49 -6.507 12.729 6.580 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.531 13.438 9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.945 11.122 8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.404 11.226 7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.762 10.102 9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.459 11.752 9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.932 11.700 10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.785 9.959 10.385 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.332 9.917 12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.860 13.221 11.092 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.091 13.950 12.506 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.344 10.862 14.035 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.237 12.621 14.164 1.00 0.00 H new ATOM 743 N PHE A 50 -3.006 13.390 6.852 1.00 0.00 N ATOM 744 CA PHE A 50 -1.673 13.926 6.602 1.00 0.00 C ATOM 745 C PHE A 50 -1.736 15.419 6.295 1.00 0.00 C ATOM 746 O PHE A 50 -1.025 16.219 6.904 1.00 0.00 O ATOM 747 CB PHE A 50 -1.011 13.182 5.441 1.00 0.00 C ATOM 748 CG PHE A 50 -0.637 11.765 5.770 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.555 10.739 5.614 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.631 11.460 6.237 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.215 9.434 5.917 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.977 10.156 6.541 1.00 0.00 C ATOM 753 CZ PHE A 50 0.052 9.142 6.382 1.00 0.00 C ATOM 0 H PHE A 50 -3.345 12.751 6.133 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.076 13.784 7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.689 13.181 4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.116 13.724 5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.548 10.962 5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.357 12.249 6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.940 8.643 5.790 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.969 9.930 6.902 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.319 8.123 6.621 1.00 0.00 H new ATOM 763 N ARG A 51 -2.591 15.787 5.347 1.00 0.00 N ATOM 764 CA ARG A 51 -2.747 17.183 4.957 1.00 0.00 C ATOM 765 C ARG A 51 -4.211 17.607 5.026 1.00 0.00 C ATOM 766 O ARG A 51 -4.959 17.501 4.055 1.00 0.00 O ATOM 767 CB ARG A 51 -2.207 17.403 3.543 1.00 0.00 C ATOM 768 CG ARG A 51 -0.705 17.198 3.425 1.00 0.00 C ATOM 769 CD ARG A 51 0.064 18.271 4.179 1.00 0.00 C ATOM 770 NE ARG A 51 1.506 18.040 4.140 1.00 0.00 N ATOM 771 CZ ARG A 51 2.372 18.661 4.933 1.00 0.00 C ATOM 772 NH1 ARG A 51 1.944 19.547 5.822 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.669 18.397 4.837 1.00 0.00 N ATOM 0 H ARG A 51 -3.187 15.137 4.834 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.177 17.795 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.713 16.721 2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.453 18.415 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.439 16.216 3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.416 17.212 2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.159 19.247 3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.271 18.296 5.216 1.00 0.00 H new ATOM 0 HE ARG A 51 1.868 17.365 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.948 19.753 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.611 20.023 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.002 17.717 4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.333 18.874 5.446 1.00 0.00 H new ATOM 787 N PRO A 52 -4.630 18.098 6.202 1.00 0.00 N ATOM 788 CA PRO A 52 -6.007 18.548 6.426 1.00 0.00 C ATOM 789 C PRO A 52 -6.329 19.829 5.664 1.00 0.00 C ATOM 790 O PRO A 52 -7.495 20.194 5.512 1.00 0.00 O ATOM 791 CB PRO A 52 -6.058 18.797 7.936 1.00 0.00 C ATOM 792 CG PRO A 52 -4.647 19.082 8.320 1.00 0.00 C ATOM 793 CD PRO A 52 -3.792 18.253 7.403 1.00 0.00 C ATOM 0 HA PRO A 52 -6.736 17.818 6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.711 19.636 8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.445 17.928 8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.420 20.143 8.212 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.466 18.822 9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.849 18.750 7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.544 17.289 7.847 1.00 0.00 H new ATOM 801 N GLU A 53 -5.290 20.507 5.188 1.00 0.00 N ATOM 802 CA GLU A 53 -5.464 21.748 4.442 1.00 0.00 C ATOM 803 C GLU A 53 -6.040 21.473 3.056 1.00 0.00 C ATOM 804 O GLU A 53 -6.771 22.294 2.501 1.00 0.00 O ATOM 805 CB GLU A 53 -4.129 22.484 4.315 1.00 0.00 C ATOM 806 CG GLU A 53 -3.023 21.640 3.705 1.00 0.00 C ATOM 807 CD GLU A 53 -1.862 22.475 3.200 1.00 0.00 C ATOM 808 OE1 GLU A 53 -2.082 23.660 2.875 1.00 0.00 O ATOM 809 OE2 GLU A 53 -0.735 21.943 3.131 1.00 0.00 O ATOM 0 H GLU A 53 -4.319 20.218 5.305 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.166 22.376 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.272 23.376 3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.814 22.821 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.659 20.932 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.430 21.055 2.881 1.00 0.00 H new ATOM 816 N LEU A 54 -5.704 20.313 2.502 1.00 0.00 N ATOM 817 CA LEU A 54 -6.187 19.929 1.180 1.00 0.00 C ATOM 818 C LEU A 54 -7.678 19.610 1.216 1.00 0.00 C ATOM 819 O LEU A 54 -8.440 20.060 0.359 1.00 0.00 O ATOM 820 CB LEU A 54 -5.407 18.718 0.663 1.00 0.00 C ATOM 821 CG LEU A 54 -3.884 18.852 0.660 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.230 17.507 0.386 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.441 19.882 -0.369 1.00 0.00 C ATOM 0 H LEU A 54 -5.100 19.623 2.947 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.031 20.770 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.674 17.853 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.735 18.507 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.567 19.193 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.146 17.622 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.521 16.797 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.554 17.136 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.354 19.964 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.771 19.571 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.881 20.850 -0.128 1.00 0.00 H new ATOM 835 N ILE A 55 -8.088 18.834 2.213 1.00 0.00 N ATOM 836 CA ILE A 55 -9.488 18.458 2.363 1.00 0.00 C ATOM 837 C ILE A 55 -10.032 18.891 3.720 1.00 0.00 C ATOM 838 O ILE A 55 -9.326 18.844 4.726 1.00 0.00 O ATOM 839 CB ILE A 55 -9.684 16.939 2.205 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.257 16.490 0.805 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.133 16.561 2.469 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.246 14.988 0.629 1.00 0.00 C ATOM 0 H ILE A 55 -7.470 18.453 2.930 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.038 18.971 1.574 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.057 16.429 2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.932 16.929 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.261 16.879 0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.255 15.484 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.405 16.850 3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.779 17.078 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.934 14.743 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.550 14.543 1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.247 14.594 0.806 1.00 0.00 H new ATOM 854 N ASN A 56 -11.293 19.312 3.740 1.00 0.00 N ATOM 855 CA ASN A 56 -11.932 19.752 4.974 1.00 0.00 C ATOM 856 C ASN A 56 -13.124 18.863 5.316 1.00 0.00 C ATOM 857 O ASN A 56 -14.239 19.094 4.847 1.00 0.00 O ATOM 858 CB ASN A 56 -12.387 21.207 4.846 1.00 0.00 C ATOM 859 CG ASN A 56 -12.730 21.826 6.188 1.00 0.00 C ATOM 860 OD1 ASN A 56 -12.145 21.475 7.213 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.682 22.751 6.186 1.00 0.00 N ATOM 0 H ASN A 56 -11.892 19.357 2.915 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.202 19.676 5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.599 21.791 4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.258 21.256 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.956 23.203 7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.139 23.010 5.312 1.00 0.00 H new ATOM 868 N PHE A 57 -12.881 17.847 6.137 1.00 0.00 N ATOM 869 CA PHE A 57 -13.934 16.923 6.542 1.00 0.00 C ATOM 870 C PHE A 57 -15.113 17.675 7.152 1.00 0.00 C ATOM 871 O PHE A 57 -16.271 17.332 6.916 1.00 0.00 O ATOM 872 CB PHE A 57 -13.389 15.904 7.545 1.00 0.00 C ATOM 873 CG PHE A 57 -14.154 14.612 7.563 1.00 0.00 C ATOM 874 CD1 PHE A 57 -13.901 13.628 6.620 1.00 0.00 C ATOM 875 CD2 PHE A 57 -15.128 14.380 8.522 1.00 0.00 C ATOM 876 CE1 PHE A 57 -14.603 12.438 6.634 1.00 0.00 C ATOM 877 CE2 PHE A 57 -15.832 13.192 8.541 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.571 12.220 7.595 1.00 0.00 C ATOM 0 H PHE A 57 -11.964 17.643 6.535 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.283 16.397 5.654 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.346 15.696 7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.408 16.342 8.543 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.146 13.793 5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.339 15.137 9.263 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.395 11.679 5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.586 13.023 9.295 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.123 11.292 7.607 1.00 0.00 H new ATOM 888 N ASP A 58 -14.808 18.701 7.939 1.00 0.00 N ATOM 889 CA ASP A 58 -15.841 19.503 8.584 1.00 0.00 C ATOM 890 C ASP A 58 -16.875 19.977 7.567 1.00 0.00 C ATOM 891 O ASP A 58 -18.065 20.064 7.871 1.00 0.00 O ATOM 892 CB ASP A 58 -15.216 20.706 9.291 1.00 0.00 C ATOM 893 CG ASP A 58 -14.072 20.310 10.205 1.00 0.00 C ATOM 894 OD1 ASP A 58 -14.325 19.594 11.196 1.00 0.00 O ATOM 895 OD2 ASP A 58 -12.924 20.716 9.927 1.00 0.00 O ATOM 0 H ASP A 58 -13.854 18.997 8.146 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.343 18.878 9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.853 21.414 8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.981 21.220 9.873 1.00 0.00 H new ATOM 900 N SER A 59 -16.413 20.282 6.359 1.00 0.00 N ATOM 901 CA SER A 59 -17.297 20.751 5.298 1.00 0.00 C ATOM 902 C SER A 59 -17.987 19.579 4.607 1.00 0.00 C ATOM 903 O SER A 59 -19.202 19.590 4.405 1.00 0.00 O ATOM 904 CB SER A 59 -16.509 21.570 4.273 1.00 0.00 C ATOM 905 OG SER A 59 -15.865 20.727 3.334 1.00 0.00 O ATOM 0 H SER A 59 -15.431 20.213 6.090 1.00 0.00 H new ATOM 0 HA SER A 59 -18.061 21.384 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.182 22.252 3.753 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.767 22.183 4.785 1.00 0.00 H new ATOM 0 HG SER A 59 -15.228 20.146 3.799 1.00 0.00 H new ATOM 911 N LEU A 60 -17.204 18.568 4.248 1.00 0.00 N ATOM 912 CA LEU A 60 -17.738 17.387 3.579 1.00 0.00 C ATOM 913 C LEU A 60 -18.906 16.798 4.364 1.00 0.00 C ATOM 914 O LEU A 60 -18.713 16.173 5.406 1.00 0.00 O ATOM 915 CB LEU A 60 -16.641 16.334 3.408 1.00 0.00 C ATOM 916 CG LEU A 60 -15.345 16.816 2.756 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.304 15.707 2.755 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.609 17.303 1.339 1.00 0.00 C ATOM 0 H LEU A 60 -16.197 18.542 4.409 1.00 0.00 H new ATOM 0 HA LEU A 60 -18.100 17.689 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.401 15.926 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.042 15.514 2.811 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.957 17.651 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.388 16.068 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.093 15.405 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.684 14.852 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.675 17.642 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.021 16.487 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.320 18.129 1.365 1.00 0.00 H new ATOM 930 N ASN A 61 -20.116 17.000 3.855 1.00 0.00 N ATOM 931 CA ASN A 61 -21.316 16.488 4.508 1.00 0.00 C ATOM 932 C ASN A 61 -21.845 15.254 3.783 1.00 0.00 C ATOM 933 O ASN A 61 -21.989 15.256 2.561 1.00 0.00 O ATOM 934 CB ASN A 61 -22.397 17.569 4.556 1.00 0.00 C ATOM 935 CG ASN A 61 -23.797 16.987 4.542 1.00 0.00 C ATOM 936 OD1 ASN A 61 -24.037 15.904 5.076 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.731 17.706 3.930 1.00 0.00 N ATOM 0 H ASN A 61 -20.292 17.515 2.992 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.052 16.203 5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.266 18.171 5.455 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.276 18.238 3.704 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.692 17.366 3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.488 18.599 3.501 1.00 0.00 H new ATOM 944 N GLU A 62 -22.134 14.204 4.545 1.00 0.00 N ATOM 945 CA GLU A 62 -22.648 12.965 3.974 1.00 0.00 C ATOM 946 C GLU A 62 -23.565 13.251 2.788 1.00 0.00 C ATOM 947 O GLU A 62 -23.427 12.649 1.723 1.00 0.00 O ATOM 948 CB GLU A 62 -23.404 12.163 5.035 1.00 0.00 C ATOM 949 CG GLU A 62 -24.421 12.985 5.809 1.00 0.00 C ATOM 950 CD GLU A 62 -25.106 12.187 6.901 1.00 0.00 C ATOM 951 OE1 GLU A 62 -25.582 11.070 6.609 1.00 0.00 O ATOM 952 OE2 GLU A 62 -25.168 12.679 8.047 1.00 0.00 O ATOM 0 H GLU A 62 -22.021 14.187 5.559 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.799 12.379 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.914 11.329 4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -22.686 11.736 5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.924 13.848 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.172 13.370 5.119 1.00 0.00 H new ATOM 959 N ASP A 63 -24.501 14.174 2.981 1.00 0.00 N ATOM 960 CA ASP A 63 -25.441 14.541 1.928 1.00 0.00 C ATOM 961 C ASP A 63 -24.708 14.824 0.620 1.00 0.00 C ATOM 962 O ASP A 63 -25.119 14.362 -0.445 1.00 0.00 O ATOM 963 CB ASP A 63 -26.255 15.767 2.347 1.00 0.00 C ATOM 964 CG ASP A 63 -27.576 15.863 1.610 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.601 15.570 0.397 1.00 0.00 O ATOM 966 OD2 ASP A 63 -28.585 16.232 2.247 1.00 0.00 O ATOM 0 H ASP A 63 -24.629 14.682 3.856 1.00 0.00 H new ATOM 0 HA ASP A 63 -26.118 13.702 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.443 15.726 3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.671 16.668 2.160 1.00 0.00 H new ATOM 971 N ASP A 64 -23.624 15.585 0.708 1.00 0.00 N ATOM 972 CA ASP A 64 -22.834 15.930 -0.468 1.00 0.00 C ATOM 973 C ASP A 64 -21.827 14.829 -0.788 1.00 0.00 C ATOM 974 O ASP A 64 -20.617 15.056 -0.768 1.00 0.00 O ATOM 975 CB ASP A 64 -22.106 17.257 -0.250 1.00 0.00 C ATOM 976 CG ASP A 64 -23.061 18.426 -0.114 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.163 18.231 0.441 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.707 19.536 -0.563 1.00 0.00 O ATOM 0 H ASP A 64 -23.271 15.975 1.582 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.514 16.033 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.491 17.188 0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.430 17.439 -1.086 1.00 0.00 H new ATOM 983 N ALA A 65 -22.334 13.637 -1.081 1.00 0.00 N ATOM 984 CA ALA A 65 -21.479 12.502 -1.406 1.00 0.00 C ATOM 985 C ALA A 65 -20.768 12.713 -2.738 1.00 0.00 C ATOM 986 O ALA A 65 -19.538 12.708 -2.804 1.00 0.00 O ATOM 987 CB ALA A 65 -22.296 11.218 -1.440 1.00 0.00 C ATOM 0 H ALA A 65 -23.333 13.432 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.720 12.417 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.645 10.379 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.753 11.051 -0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.076 11.303 -2.196 1.00 0.00 H new ATOM 993 N VAL A 66 -21.548 12.899 -3.798 1.00 0.00 N ATOM 994 CA VAL A 66 -20.993 13.112 -5.129 1.00 0.00 C ATOM 995 C VAL A 66 -19.807 14.069 -5.082 1.00 0.00 C ATOM 996 O VAL A 66 -18.721 13.750 -5.564 1.00 0.00 O ATOM 997 CB VAL A 66 -22.052 13.673 -6.096 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.435 13.960 -7.456 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.220 12.706 -6.224 1.00 0.00 C ATOM 0 H VAL A 66 -22.567 12.906 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.659 12.140 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.429 14.612 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.199 14.356 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.635 14.692 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -21.029 13.038 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.959 13.118 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.861 11.751 -6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.677 12.556 -5.246 1.00 0.00 H new ATOM 1009 N GLU A 67 -20.023 15.243 -4.497 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.971 16.247 -4.388 1.00 0.00 C ATOM 1011 C GLU A 67 -17.815 15.732 -3.536 1.00 0.00 C ATOM 1012 O GLU A 67 -16.648 15.895 -3.891 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.528 17.538 -3.784 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.381 18.343 -4.750 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.869 19.648 -4.150 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -21.813 19.608 -3.334 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -20.307 20.707 -4.497 1.00 0.00 O ATOM 0 H GLU A 67 -20.916 15.522 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.597 16.455 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.124 17.291 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.698 18.157 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.803 18.555 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.239 17.745 -5.056 1.00 0.00 H new ATOM 1024 N ASN A 68 -18.148 15.111 -2.409 1.00 0.00 N ATOM 1025 CA ASN A 68 -17.137 14.573 -1.506 1.00 0.00 C ATOM 1026 C ASN A 68 -16.110 13.744 -2.270 1.00 0.00 C ATOM 1027 O ASN A 68 -14.910 14.004 -2.197 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.796 13.716 -0.423 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.487 14.554 0.636 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -18.114 15.702 0.876 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.501 13.981 1.275 1.00 0.00 N ATOM 0 H ASN A 68 -19.109 14.968 -2.099 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.623 15.411 -1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.523 13.047 -0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -17.041 13.088 0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.005 14.496 1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.776 13.027 1.043 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.591 12.745 -3.004 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.714 11.877 -3.782 1.00 0.00 C ATOM 1040 C ASN A 69 -14.915 12.684 -4.801 1.00 0.00 C ATOM 1041 O ASN A 69 -13.686 12.707 -4.762 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.532 10.799 -4.496 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.279 9.904 -3.527 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.671 9.189 -2.730 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.605 9.939 -3.591 1.00 0.00 N ATOM 0 H ASN A 69 -17.583 12.517 -3.076 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.015 11.398 -3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.244 11.274 -5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -15.868 10.191 -5.111 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.161 9.358 -2.964 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.067 10.547 -4.267 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.624 13.345 -5.711 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.981 14.153 -6.740 1.00 0.00 C ATOM 1054 C GLN A 70 -13.821 14.953 -6.158 1.00 0.00 C ATOM 1055 O GLN A 70 -12.749 15.041 -6.760 1.00 0.00 O ATOM 1056 CB GLN A 70 -15.996 15.099 -7.384 1.00 0.00 C ATOM 1057 CG GLN A 70 -16.702 14.503 -8.592 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.917 14.689 -9.876 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -16.044 15.709 -10.553 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -15.100 13.700 -10.219 1.00 0.00 N ATOM 0 H GLN A 70 -16.643 13.337 -5.756 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.588 13.480 -7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.741 15.380 -6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.487 16.014 -7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.868 13.439 -8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.683 14.966 -8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.025 12.872 -9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.547 13.768 -11.073 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.040 15.536 -4.985 1.00 0.00 N ATOM 1070 CA LEU A 71 -13.012 16.330 -4.321 1.00 0.00 C ATOM 1071 C LEU A 71 -11.744 15.511 -4.108 1.00 0.00 C ATOM 1072 O LEU A 71 -10.704 15.793 -4.702 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.529 16.849 -2.978 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.552 17.701 -2.166 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -12.153 18.944 -2.946 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -13.164 18.083 -0.826 1.00 0.00 C ATOM 0 H LEU A 71 -14.920 15.474 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.771 17.177 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.428 17.438 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.826 15.994 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.655 17.112 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.458 19.538 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.674 18.649 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.041 19.537 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.455 18.689 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.077 18.654 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.399 17.180 -0.262 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.838 14.493 -3.258 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.699 13.630 -2.971 1.00 0.00 C ATOM 1090 C ALA A 72 -9.945 13.273 -4.247 1.00 0.00 C ATOM 1091 O ALA A 72 -8.715 13.328 -4.289 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.161 12.368 -2.258 1.00 0.00 C ATOM 0 H ALA A 72 -12.691 14.246 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.017 14.175 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.301 11.732 -2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.649 12.637 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.865 11.829 -2.892 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.688 12.907 -5.285 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.089 12.539 -6.563 1.00 0.00 C ATOM 1100 C PHE A 73 -9.276 13.697 -7.136 1.00 0.00 C ATOM 1101 O PHE A 73 -8.112 13.532 -7.499 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.174 12.121 -7.558 1.00 0.00 C ATOM 1103 CG PHE A 73 -11.883 10.854 -7.174 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.169 9.750 -6.737 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.264 10.767 -7.252 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -11.819 8.583 -6.383 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -13.919 9.603 -6.899 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.196 8.509 -6.465 1.00 0.00 C ATOM 0 H PHE A 73 -11.707 12.857 -5.267 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.419 11.697 -6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.905 12.925 -7.645 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.723 11.992 -8.542 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.092 9.802 -6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.834 11.619 -7.592 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.251 7.730 -6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -14.996 9.548 -6.962 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.706 7.598 -6.190 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.899 14.867 -7.214 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.235 16.054 -7.742 1.00 0.00 C ATOM 1120 C ASP A 74 -7.994 16.391 -6.922 1.00 0.00 C ATOM 1121 O ASP A 74 -6.968 16.797 -7.468 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.197 17.243 -7.747 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.817 18.289 -8.776 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -8.614 18.402 -9.091 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -10.723 18.996 -9.266 1.00 0.00 O ATOM 0 H ASP A 74 -10.863 15.020 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.926 15.843 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.208 16.888 -7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.212 17.699 -6.757 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.095 16.222 -5.607 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.981 16.509 -4.712 1.00 0.00 C ATOM 1132 C VAL A 75 -5.824 15.543 -4.946 1.00 0.00 C ATOM 1133 O VAL A 75 -4.668 15.954 -5.036 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.412 16.427 -3.235 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.204 16.549 -2.318 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.441 17.502 -2.921 1.00 0.00 C ATOM 0 H VAL A 75 -8.937 15.888 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.653 17.525 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.872 15.454 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.528 16.489 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.505 15.739 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.712 17.506 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.735 17.430 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.010 18.485 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.317 17.363 -3.554 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.145 14.257 -5.045 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.134 13.233 -5.272 1.00 0.00 C ATOM 1148 C ALA A 76 -4.527 13.360 -6.665 1.00 0.00 C ATOM 1149 O ALA A 76 -3.359 13.033 -6.875 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.733 11.848 -5.080 1.00 0.00 C ATOM 0 H ALA A 76 -7.098 13.900 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.337 13.377 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.966 11.093 -5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.113 11.754 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.550 11.704 -5.787 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.327 13.836 -7.614 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.868 14.004 -8.987 1.00 0.00 C ATOM 1158 C GLU A 77 -4.130 15.329 -9.156 1.00 0.00 C ATOM 1159 O GLU A 77 -3.452 15.551 -10.159 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.050 13.939 -9.956 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.668 13.480 -11.353 1.00 0.00 C ATOM 1162 CD GLU A 77 -5.266 14.631 -12.256 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -6.079 15.563 -12.426 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -4.139 14.598 -12.792 1.00 0.00 O ATOM 0 H GLU A 77 -6.296 14.112 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.177 13.192 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.802 13.261 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.511 14.925 -10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.843 12.771 -11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.509 12.949 -11.800 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.269 16.207 -8.168 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.618 17.511 -8.207 1.00 0.00 C ATOM 1173 C ARG A 78 -2.348 17.509 -7.362 1.00 0.00 C ATOM 1174 O ARG A 78 -1.403 18.245 -7.645 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.574 18.596 -7.708 1.00 0.00 C ATOM 1176 CG ARG A 78 -3.930 19.968 -7.592 1.00 0.00 C ATOM 1177 CD ARG A 78 -3.585 20.539 -8.958 1.00 0.00 C ATOM 1178 NE ARG A 78 -2.327 20.005 -9.473 1.00 0.00 N ATOM 1179 CZ ARG A 78 -1.132 20.448 -9.099 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -1.033 21.428 -8.211 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -0.033 19.911 -9.613 1.00 0.00 N ATOM 0 H ARG A 78 -4.827 16.039 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.346 17.724 -9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.425 18.659 -8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.965 18.304 -6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.608 20.646 -7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.026 19.897 -6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.389 20.313 -9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.517 21.625 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.368 19.250 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.876 21.843 -7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.114 21.766 -7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.105 19.157 -10.296 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.884 20.252 -9.325 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.334 16.680 -6.323 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.180 16.585 -5.437 1.00 0.00 C ATOM 1197 C GLU A 79 -0.351 15.344 -5.754 1.00 0.00 C ATOM 1198 O GLU A 79 0.861 15.427 -5.949 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.633 16.549 -3.976 1.00 0.00 C ATOM 1200 CG GLU A 79 -1.898 17.925 -3.387 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.628 18.621 -2.938 1.00 0.00 C ATOM 1202 OE1 GLU A 79 0.392 17.928 -2.742 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.655 19.860 -2.781 1.00 0.00 O ATOM 0 H GLU A 79 -3.109 16.065 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.559 17.466 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.540 15.950 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.870 16.049 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.404 18.543 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.575 17.829 -2.538 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.015 14.193 -5.803 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.340 12.933 -6.095 1.00 0.00 C ATOM 1212 C PHE A 80 -0.275 12.687 -7.599 1.00 0.00 C ATOM 1213 O PHE A 80 0.554 11.914 -8.077 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.061 11.773 -5.407 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.357 12.026 -3.956 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.346 12.398 -3.084 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.645 11.892 -3.464 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.615 12.630 -1.749 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.920 12.123 -2.129 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.903 12.494 -1.271 1.00 0.00 C ATOM 0 H PHE A 80 -2.019 14.107 -5.644 1.00 0.00 H new ATOM 0 HA PHE A 80 0.678 12.997 -5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.996 11.575 -5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.451 10.874 -5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.663 12.508 -3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.444 11.604 -4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.182 12.918 -1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.928 12.014 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.115 12.677 -0.228 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.157 13.351 -8.340 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.184 13.190 -9.782 1.00 0.00 C ATOM 1232 C GLY A 81 -1.727 11.840 -10.205 1.00 0.00 C ATOM 1233 O GLY A 81 -1.370 11.324 -11.265 1.00 0.00 O ATOM 0 H GLY A 81 -1.853 13.997 -7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.796 13.978 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.175 13.312 -10.177 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.590 11.264 -9.375 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.182 9.965 -9.669 1.00 0.00 C ATOM 1239 C ILE A 82 -4.569 10.120 -10.285 1.00 0.00 C ATOM 1240 O ILE A 82 -5.477 10.702 -9.692 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.289 9.096 -8.402 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.903 8.861 -7.800 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.965 7.771 -8.724 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.936 8.142 -6.469 1.00 0.00 C ATOM 0 H ILE A 82 -2.895 11.677 -8.493 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.523 9.472 -10.383 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.898 9.623 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.304 8.281 -8.502 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.403 9.821 -7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.033 7.168 -7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.966 7.958 -9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.380 7.237 -9.473 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.918 8.010 -6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.507 8.731 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.406 7.167 -6.594 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.738 9.584 -11.503 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.012 9.647 -12.225 1.00 0.00 C ATOM 1258 C PRO A 83 -7.085 8.774 -11.585 1.00 0.00 C ATOM 1259 O PRO A 83 -6.864 7.603 -11.276 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.656 9.122 -13.618 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.465 8.253 -13.403 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.699 8.875 -12.268 1.00 0.00 C ATOM 0 HA PRO A 83 -6.430 10.654 -12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.483 8.560 -14.052 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.431 9.939 -14.303 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.764 7.234 -13.160 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.853 8.199 -14.304 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.197 8.121 -11.661 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.930 9.558 -12.629 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.277 9.355 -11.379 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.409 8.646 -10.774 1.00 0.00 C ATOM 1272 C PRO A 84 -9.980 7.574 -11.695 1.00 0.00 C ATOM 1273 O PRO A 84 -10.102 7.778 -12.903 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.438 9.755 -10.542 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.104 10.800 -11.551 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.611 10.747 -11.722 1.00 0.00 C ATOM 0 HA PRO A 84 -9.121 8.116 -9.866 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.455 9.386 -10.676 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.373 10.149 -9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.612 10.607 -12.496 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.423 11.786 -11.213 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.315 10.992 -12.742 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.106 11.455 -11.065 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.331 6.429 -11.117 1.00 0.00 N ATOM 1285 CA VAL A 85 -10.891 5.324 -11.886 1.00 0.00 C ATOM 1286 C VAL A 85 -12.388 5.513 -12.107 1.00 0.00 C ATOM 1287 O VAL A 85 -12.945 5.037 -13.097 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.653 3.974 -11.183 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.164 3.714 -11.017 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.361 3.942 -9.838 1.00 0.00 C ATOM 0 H VAL A 85 -10.237 6.243 -10.119 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.382 5.318 -12.850 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.069 3.182 -11.805 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.015 2.756 -10.519 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.687 3.691 -11.997 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.721 4.508 -10.416 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.182 2.981 -9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.977 4.743 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.432 4.079 -9.987 1.00 0.00 H new ATOM 1300 N THR A 86 -13.035 6.210 -11.178 1.00 0.00 N ATOM 1301 CA THR A 86 -14.467 6.461 -11.271 1.00 0.00 C ATOM 1302 C THR A 86 -14.801 7.894 -10.874 1.00 0.00 C ATOM 1303 O THR A 86 -14.058 8.533 -10.128 1.00 0.00 O ATOM 1304 CB THR A 86 -15.266 5.493 -10.378 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.668 5.758 -10.500 1.00 0.00 O ATOM 1306 CG2 THR A 86 -14.845 5.628 -8.922 1.00 0.00 C ATOM 0 H THR A 86 -12.589 6.611 -10.353 1.00 0.00 H new ATOM 0 HA THR A 86 -14.749 6.300 -12.312 1.00 0.00 H new ATOM 0 HB THR A 86 -15.059 4.475 -10.707 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.169 5.137 -9.931 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.423 4.935 -8.310 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.784 5.398 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.027 6.648 -8.584 1.00 0.00 H new ATOM 1314 N THR A 87 -15.925 8.396 -11.376 1.00 0.00 N ATOM 1315 CA THR A 87 -16.358 9.755 -11.073 1.00 0.00 C ATOM 1316 C THR A 87 -17.239 9.788 -9.830 1.00 0.00 C ATOM 1317 O THR A 87 -18.066 8.902 -9.620 1.00 0.00 O ATOM 1318 CB THR A 87 -17.131 10.374 -12.253 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.280 9.576 -12.558 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.243 10.486 -13.483 1.00 0.00 C ATOM 0 H THR A 87 -16.552 7.882 -11.994 1.00 0.00 H new ATOM 0 HA THR A 87 -15.457 10.340 -10.891 1.00 0.00 H new ATOM 0 HB THR A 87 -17.451 11.375 -11.964 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.767 9.977 -13.308 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.811 10.926 -14.303 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.385 11.118 -13.256 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.896 9.494 -13.773 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.056 10.816 -9.007 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.842 10.945 -7.794 1.00 0.00 C ATOM 1330 C GLY A 88 -19.303 10.602 -8.011 1.00 0.00 C ATOM 1331 O GLY A 88 -19.942 10.000 -7.148 1.00 0.00 O ATOM 0 H GLY A 88 -16.377 11.562 -9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.429 10.292 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.763 11.966 -7.420 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.834 10.988 -9.166 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.229 10.719 -9.495 1.00 0.00 C ATOM 1337 C LYS A 89 -21.527 9.225 -9.418 1.00 0.00 C ATOM 1338 O LYS A 89 -22.351 8.789 -8.615 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.554 11.244 -10.895 1.00 0.00 C ATOM 1340 CG LYS A 89 -21.726 12.752 -10.955 1.00 0.00 C ATOM 1341 CD LYS A 89 -22.376 13.188 -12.257 1.00 0.00 C ATOM 1342 CE LYS A 89 -23.126 14.501 -12.093 1.00 0.00 C ATOM 1343 NZ LYS A 89 -24.178 14.673 -13.133 1.00 0.00 N ATOM 0 H LYS A 89 -19.319 11.488 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.855 11.234 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.757 10.950 -11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.469 10.768 -11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.336 13.083 -10.114 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -20.754 13.234 -10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -21.613 13.298 -13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.064 12.415 -12.598 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.584 14.537 -11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.422 15.331 -12.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -24.666 15.580 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -23.739 14.665 -14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.865 13.895 -13.064 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.852 8.447 -10.258 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.046 7.002 -10.284 1.00 0.00 C ATOM 1359 C GLU A 90 -20.615 6.372 -8.962 1.00 0.00 C ATOM 1360 O GLU A 90 -21.251 5.439 -8.472 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.258 6.380 -11.439 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.786 6.762 -12.811 1.00 0.00 C ATOM 1363 CD GLU A 90 -21.849 5.804 -13.314 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -22.993 5.873 -12.818 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -21.537 4.986 -14.205 1.00 0.00 O ATOM 0 H GLU A 90 -20.166 8.793 -10.929 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.108 6.806 -10.431 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.215 6.686 -11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -20.280 5.295 -11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.200 7.769 -12.769 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.959 6.787 -13.521 1.00 0.00 H new ATOM 1372 N MET A 91 -19.531 6.888 -8.393 1.00 0.00 N ATOM 1373 CA MET A 91 -19.016 6.377 -7.128 1.00 0.00 C ATOM 1374 C MET A 91 -20.085 6.437 -6.041 1.00 0.00 C ATOM 1375 O MET A 91 -20.272 5.482 -5.289 1.00 0.00 O ATOM 1376 CB MET A 91 -17.785 7.176 -6.694 1.00 0.00 C ATOM 1377 CG MET A 91 -17.064 6.578 -5.497 1.00 0.00 C ATOM 1378 SD MET A 91 -16.139 5.087 -5.917 1.00 0.00 S ATOM 1379 CE MET A 91 -17.265 3.818 -5.343 1.00 0.00 C ATOM 0 H MET A 91 -18.992 7.659 -8.787 1.00 0.00 H new ATOM 0 HA MET A 91 -18.731 5.335 -7.275 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.090 7.241 -7.531 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.089 8.195 -6.453 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.382 7.319 -5.081 1.00 0.00 H new ATOM 0 HG3 MET A 91 -17.791 6.343 -4.720 1.00 0.00 H new ATOM 0 HE1 MET A 91 -16.752 3.171 -4.632 1.00 0.00 H new ATOM 0 HE2 MET A 91 -18.121 4.285 -4.856 1.00 0.00 H new ATOM 0 HE3 MET A 91 -17.608 3.225 -6.191 1.00 0.00 H new ATOM 1389 N ALA A 92 -20.782 7.566 -5.966 1.00 0.00 N ATOM 1390 CA ALA A 92 -21.833 7.749 -4.972 1.00 0.00 C ATOM 1391 C ALA A 92 -23.139 7.109 -5.430 1.00 0.00 C ATOM 1392 O ALA A 92 -23.902 6.585 -4.619 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.039 9.230 -4.689 1.00 0.00 C ATOM 0 H ALA A 92 -20.638 8.367 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.520 7.255 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -22.826 9.352 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.112 9.660 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.326 9.740 -5.609 1.00 0.00 H new ATOM 1399 N SER A 93 -23.391 7.156 -6.734 1.00 0.00 N ATOM 1400 CA SER A 93 -24.607 6.585 -7.299 1.00 0.00 C ATOM 1401 C SER A 93 -24.646 5.074 -7.090 1.00 0.00 C ATOM 1402 O SER A 93 -25.544 4.551 -6.431 1.00 0.00 O ATOM 1403 CB SER A 93 -24.702 6.907 -8.792 1.00 0.00 C ATOM 1404 OG SER A 93 -25.082 8.256 -9.000 1.00 0.00 O ATOM 0 H SER A 93 -22.768 7.584 -7.419 1.00 0.00 H new ATOM 0 HA SER A 93 -25.460 7.028 -6.784 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.740 6.719 -9.270 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.427 6.245 -9.265 1.00 0.00 H new ATOM 0 HG SER A 93 -24.290 8.831 -8.949 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.665 4.379 -7.655 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.584 2.929 -7.529 1.00 0.00 C ATOM 1412 C ALA A 94 -23.555 2.506 -6.065 1.00 0.00 C ATOM 1413 O ALA A 94 -22.601 2.798 -5.345 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.356 2.404 -8.257 1.00 0.00 C ATOM 0 H ALA A 94 -22.914 4.797 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.475 2.499 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.308 1.320 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.419 2.666 -9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.459 2.849 -7.826 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.607 1.818 -5.631 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.701 1.357 -4.251 1.00 0.00 C ATOM 1422 C GLN A 95 -23.538 0.433 -3.906 1.00 0.00 C ATOM 1423 O GLN A 95 -22.951 0.535 -2.829 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.028 0.632 -4.023 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.176 -0.640 -4.843 1.00 0.00 C ATOM 1426 CD GLN A 95 -25.638 -1.862 -4.125 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -25.460 -1.853 -2.907 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -25.377 -2.924 -4.879 1.00 0.00 N ATOM 0 H GLN A 95 -25.405 1.568 -6.215 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.655 2.229 -3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.120 0.385 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.848 1.308 -4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -27.229 -0.796 -5.079 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -25.652 -0.520 -5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -25.540 -2.887 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -25.014 -3.776 -4.452 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.211 -0.469 -4.826 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.118 -1.411 -4.617 1.00 0.00 C ATOM 1439 C GLU A 96 -21.219 -1.484 -5.848 1.00 0.00 C ATOM 1440 O GLU A 96 -21.496 -2.203 -6.809 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.669 -2.801 -4.292 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.648 -3.728 -3.655 1.00 0.00 C ATOM 1443 CD GLU A 96 -21.975 -5.193 -3.867 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.818 -5.728 -3.117 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -21.389 -5.804 -4.785 1.00 0.00 O ATOM 0 H GLU A 96 -23.687 -0.567 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.524 -1.057 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.521 -2.697 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -23.040 -3.259 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.663 -3.516 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.595 -3.523 -2.586 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.116 -0.721 -5.820 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.153 -0.681 -6.925 1.00 0.00 C ATOM 1454 C PRO A 97 -18.369 -1.982 -7.058 1.00 0.00 C ATOM 1455 O PRO A 97 -18.608 -2.940 -6.323 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.219 0.469 -6.540 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.314 0.553 -5.056 1.00 0.00 C ATOM 1458 CD PRO A 97 -19.723 0.160 -4.708 1.00 0.00 C ATOM 0 HA PRO A 97 -19.644 -0.545 -7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.196 0.273 -6.861 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.527 1.403 -7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.594 -0.113 -4.581 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.093 1.562 -4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -19.771 -0.357 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.376 1.030 -4.634 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.433 -2.009 -8.000 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.612 -3.192 -8.229 1.00 0.00 C ATOM 1468 C ASP A 98 -15.460 -3.256 -7.230 1.00 0.00 C ATOM 1469 O ASP A 98 -14.537 -2.443 -7.278 1.00 0.00 O ATOM 1470 CB ASP A 98 -16.065 -3.192 -9.657 1.00 0.00 C ATOM 1471 CG ASP A 98 -17.080 -3.695 -10.665 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -17.403 -4.900 -10.630 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -17.550 -2.882 -11.490 1.00 0.00 O ATOM 0 H ASP A 98 -17.224 -1.225 -8.618 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.240 -4.072 -8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.760 -2.181 -9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.173 -3.817 -9.701 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.521 -4.227 -6.326 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.484 -4.398 -5.315 1.00 0.00 C ATOM 1480 C LYS A 99 -13.096 -4.250 -5.930 1.00 0.00 C ATOM 1481 O LYS A 99 -12.279 -3.457 -5.458 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.614 -5.770 -4.648 1.00 0.00 C ATOM 1483 CG LYS A 99 -15.853 -5.909 -3.781 1.00 0.00 C ATOM 1484 CD LYS A 99 -15.995 -7.319 -3.233 1.00 0.00 C ATOM 1485 CE LYS A 99 -16.707 -8.232 -4.220 1.00 0.00 C ATOM 1486 NZ LYS A 99 -18.139 -7.860 -4.386 1.00 0.00 N ATOM 0 H LYS A 99 -16.278 -4.908 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.614 -3.621 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -14.632 -6.540 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.730 -5.953 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -15.801 -5.200 -2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.737 -5.654 -4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.008 -7.724 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -16.550 -7.292 -2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.205 -8.184 -5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -16.637 -9.264 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -18.674 -8.683 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -18.526 -7.552 -3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -18.219 -7.085 -5.074 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.836 -5.015 -6.984 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.546 -4.967 -7.664 1.00 0.00 C ATOM 1502 C LEU A 100 -11.145 -3.528 -7.970 1.00 0.00 C ATOM 1503 O LEU A 100 -10.170 -3.014 -7.421 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.600 -5.780 -8.959 1.00 0.00 C ATOM 1505 CG LEU A 100 -10.300 -6.473 -9.371 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.206 -5.448 -9.624 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -9.865 -7.468 -8.305 1.00 0.00 C ATOM 0 H LEU A 100 -13.501 -5.676 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.797 -5.400 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.376 -6.539 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.907 -5.117 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.479 -7.019 -10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.289 -5.959 -9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.516 -4.775 -10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.028 -4.874 -8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.939 -7.952 -8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.703 -6.944 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.641 -8.222 -8.173 1.00 0.00 H new ATOM 1519 N SER A 101 -11.904 -2.882 -8.849 1.00 0.00 N ATOM 1520 CA SER A 101 -11.627 -1.502 -9.230 1.00 0.00 C ATOM 1521 C SER A 101 -11.232 -0.671 -8.013 1.00 0.00 C ATOM 1522 O SER A 101 -10.343 0.177 -8.088 1.00 0.00 O ATOM 1523 CB SER A 101 -12.850 -0.882 -9.909 1.00 0.00 C ATOM 1524 OG SER A 101 -13.148 -1.544 -11.126 1.00 0.00 O ATOM 0 H SER A 101 -12.716 -3.292 -9.311 1.00 0.00 H new ATOM 0 HA SER A 101 -10.793 -1.506 -9.932 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.709 -0.939 -9.240 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.666 0.175 -10.102 1.00 0.00 H new ATOM 0 HG SER A 101 -13.934 -1.130 -11.539 1.00 0.00 H new ATOM 1530 N MET A 102 -11.899 -0.922 -6.891 1.00 0.00 N ATOM 1531 CA MET A 102 -11.617 -0.199 -5.657 1.00 0.00 C ATOM 1532 C MET A 102 -10.240 -0.567 -5.113 1.00 0.00 C ATOM 1533 O MET A 102 -9.418 0.306 -4.835 1.00 0.00 O ATOM 1534 CB MET A 102 -12.689 -0.500 -4.608 1.00 0.00 C ATOM 1535 CG MET A 102 -13.871 0.455 -4.655 1.00 0.00 C ATOM 1536 SD MET A 102 -13.639 1.899 -3.600 1.00 0.00 S ATOM 1537 CE MET A 102 -12.774 2.999 -4.718 1.00 0.00 C ATOM 0 H MET A 102 -12.638 -1.620 -6.811 1.00 0.00 H new ATOM 0 HA MET A 102 -11.627 0.868 -5.881 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.050 -1.519 -4.751 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.238 -0.458 -3.617 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.028 0.782 -5.683 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.773 -0.074 -4.347 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.095 4.025 -4.539 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.700 2.920 -4.548 1.00 0.00 H new ATOM 0 HE3 MET A 102 -13.000 2.722 -5.748 1.00 0.00 H new ATOM 1547 N VAL A 103 -9.995 -1.865 -4.963 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.718 -2.349 -4.454 1.00 0.00 C ATOM 1549 C VAL A 103 -7.560 -1.853 -5.314 1.00 0.00 C ATOM 1550 O VAL A 103 -6.644 -1.197 -4.821 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.681 -3.887 -4.400 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.300 -4.375 -3.990 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.745 -4.412 -3.447 1.00 0.00 C ATOM 0 H VAL A 103 -10.665 -2.601 -5.187 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.611 -1.955 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.895 -4.273 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.294 -5.464 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.562 -4.029 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.053 -3.981 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.705 -5.501 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.564 -4.018 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.729 -4.093 -3.790 1.00 0.00 H new ATOM 1563 N MET A 104 -7.609 -2.173 -6.603 1.00 0.00 N ATOM 1564 CA MET A 104 -6.565 -1.759 -7.533 1.00 0.00 C ATOM 1565 C MET A 104 -6.269 -0.269 -7.389 1.00 0.00 C ATOM 1566 O MET A 104 -5.129 0.166 -7.556 1.00 0.00 O ATOM 1567 CB MET A 104 -6.980 -2.072 -8.972 1.00 0.00 C ATOM 1568 CG MET A 104 -8.249 -1.356 -9.408 1.00 0.00 C ATOM 1569 SD MET A 104 -8.487 -1.393 -11.195 1.00 0.00 S ATOM 1570 CE MET A 104 -7.198 -0.272 -11.732 1.00 0.00 C ATOM 0 H MET A 104 -8.360 -2.717 -7.027 1.00 0.00 H new ATOM 0 HA MET A 104 -5.659 -2.316 -7.295 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.168 -1.796 -9.644 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.126 -3.147 -9.074 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.108 -1.818 -8.921 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.211 -0.320 -9.072 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.433 0.102 -12.728 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.130 0.565 -11.037 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.245 -0.800 -11.758 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.301 0.507 -7.080 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.152 1.949 -6.917 1.00 0.00 C ATOM 1582 C TYR A 105 -6.504 2.281 -5.576 1.00 0.00 C ATOM 1583 O TYR A 105 -5.385 2.793 -5.523 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.513 2.639 -7.024 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.449 4.137 -6.827 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.058 4.977 -7.862 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.778 4.711 -5.605 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.998 6.346 -7.686 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.722 6.079 -5.421 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.331 6.892 -6.464 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.273 8.255 -6.284 1.00 0.00 O ATOM 0 H TYR A 105 -8.250 0.162 -6.937 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.504 2.314 -7.714 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.942 2.428 -8.003 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.187 2.212 -6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.797 4.553 -8.820 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.083 4.077 -4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.692 6.985 -8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.983 6.509 -4.465 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.540 8.476 -5.367 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.216 1.985 -4.494 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.712 2.251 -3.151 1.00 0.00 C ATOM 1603 C LEU A 106 -5.258 1.809 -3.017 1.00 0.00 C ATOM 1604 O LEU A 106 -4.441 2.501 -2.410 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.573 1.534 -2.110 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.029 1.992 -2.012 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.862 0.966 -1.259 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.115 3.352 -1.336 1.00 0.00 C ATOM 0 H LEU A 106 -8.143 1.561 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.763 3.326 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.563 0.467 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.107 1.660 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.430 2.084 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.895 1.309 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.826 0.012 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.462 0.841 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.158 3.663 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.696 3.286 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.552 4.083 -1.917 1.00 0.00 H new ATOM 1620 N SER A 107 -4.942 0.652 -3.590 1.00 0.00 N ATOM 1621 CA SER A 107 -3.587 0.115 -3.533 1.00 0.00 C ATOM 1622 C SER A 107 -2.558 1.215 -3.775 1.00 0.00 C ATOM 1623 O SER A 107 -1.558 1.313 -3.063 1.00 0.00 O ATOM 1624 CB SER A 107 -3.413 -0.998 -4.568 1.00 0.00 C ATOM 1625 OG SER A 107 -2.403 -1.909 -4.171 1.00 0.00 O ATOM 0 H SER A 107 -5.606 0.068 -4.099 1.00 0.00 H new ATOM 0 HA SER A 107 -3.427 -0.297 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.356 -1.529 -4.698 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.156 -0.564 -5.534 1.00 0.00 H new ATOM 0 HG SER A 107 -2.312 -2.612 -4.848 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.809 2.041 -4.785 1.00 0.00 N ATOM 1632 CA LYS A 108 -1.907 3.135 -5.122 1.00 0.00 C ATOM 1633 C LYS A 108 -1.524 3.928 -3.877 1.00 0.00 C ATOM 1634 O LYS A 108 -0.343 4.146 -3.606 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.558 4.062 -6.151 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.704 3.437 -7.527 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.357 4.396 -8.509 1.00 0.00 C ATOM 1638 CE LYS A 108 -4.097 3.650 -9.608 1.00 0.00 C ATOM 1639 NZ LYS A 108 -3.162 3.068 -10.610 1.00 0.00 N ATOM 0 H LYS A 108 -3.631 1.973 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.001 2.707 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.543 4.358 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.963 4.971 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.723 3.144 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.301 2.528 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.052 5.046 -7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.596 5.038 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.697 2.854 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.787 4.330 -10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.705 2.568 -11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.607 3.829 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.520 2.400 -10.138 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.530 4.357 -3.122 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.299 5.126 -1.905 1.00 0.00 C ATOM 1655 C PHE A 109 -1.559 4.289 -0.865 1.00 0.00 C ATOM 1656 O PHE A 109 -0.547 4.719 -0.312 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.627 5.620 -1.328 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.290 6.676 -2.166 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -3.685 7.907 -2.357 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.517 6.437 -2.762 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.291 8.881 -3.128 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.128 7.406 -3.534 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.515 8.631 -3.716 1.00 0.00 C ATOM 0 H PHE A 109 -3.513 4.185 -3.332 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.680 5.986 -2.161 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.305 4.773 -1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.454 6.017 -0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.728 8.108 -1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.002 5.482 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.808 9.836 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.084 7.206 -3.995 1.00 0.00 H new ATOM 0 HZ PHE A 109 -5.992 9.391 -4.317 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.073 3.092 -0.604 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.464 2.196 0.371 1.00 0.00 C ATOM 1675 C TYR A 110 0.055 2.191 0.233 1.00 0.00 C ATOM 1676 O TYR A 110 0.779 2.290 1.223 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.008 0.776 0.198 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.315 -0.248 1.069 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.742 -0.485 2.370 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.232 -0.976 0.592 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -1.112 -1.419 3.170 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.403 -1.913 1.384 1.00 0.00 C ATOM 1683 CZ TYR A 110 -0.040 -2.130 2.672 1.00 0.00 C ATOM 1684 OH TYR A 110 0.591 -3.062 3.465 1.00 0.00 O ATOM 0 H TYR A 110 -2.910 2.720 -1.054 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.718 2.557 1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.074 0.774 0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.906 0.481 -0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.581 0.070 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.119 -0.806 -0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.457 -1.591 4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.242 -2.473 0.997 1.00 0.00 H new ATOM 0 HH TYR A 110 1.325 -3.475 2.964 1.00 0.00 H new ATOM 1694 N GLU A 111 0.530 2.076 -1.003 1.00 0.00 N ATOM 1695 CA GLU A 111 1.963 2.059 -1.271 1.00 0.00 C ATOM 1696 C GLU A 111 2.561 3.455 -1.125 1.00 0.00 C ATOM 1697 O GLU A 111 3.529 3.654 -0.389 1.00 0.00 O ATOM 1698 CB GLU A 111 2.235 1.521 -2.678 1.00 0.00 C ATOM 1699 CG GLU A 111 2.195 0.005 -2.768 1.00 0.00 C ATOM 1700 CD GLU A 111 3.526 -0.635 -2.426 1.00 0.00 C ATOM 1701 OE1 GLU A 111 4.462 -0.531 -3.246 1.00 0.00 O ATOM 1702 OE2 GLU A 111 3.632 -1.240 -1.338 1.00 0.00 O ATOM 0 H GLU A 111 -0.056 1.993 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 111 2.435 1.402 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.499 1.937 -3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.213 1.871 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.429 -0.375 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.904 -0.288 -3.777 1.00 0.00 H new ATOM 1709 N LEU A 112 1.979 4.419 -1.830 1.00 0.00 N ATOM 1710 CA LEU A 112 2.454 5.797 -1.779 1.00 0.00 C ATOM 1711 C LEU A 112 2.734 6.224 -0.342 1.00 0.00 C ATOM 1712 O LEU A 112 3.824 6.703 -0.027 1.00 0.00 O ATOM 1713 CB LEU A 112 1.423 6.735 -2.410 1.00 0.00 C ATOM 1714 CG LEU A 112 1.717 8.231 -2.294 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.643 8.682 -3.413 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.424 9.033 -2.314 1.00 0.00 C ATOM 0 H LEU A 112 1.178 4.272 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 112 3.385 5.856 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.332 6.484 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.454 6.539 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 112 2.217 8.410 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.841 9.749 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.582 8.132 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.171 8.489 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.653 10.095 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.104 8.848 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.205 8.731 -1.476 1.00 0.00 H new ATOM 1728 N PHE A 113 1.745 6.046 0.526 1.00 0.00 N ATOM 1729 CA PHE A 113 1.885 6.412 1.931 1.00 0.00 C ATOM 1730 C PHE A 113 2.813 5.441 2.656 1.00 0.00 C ATOM 1731 O PHE A 113 3.713 5.855 3.388 1.00 0.00 O ATOM 1732 CB PHE A 113 0.517 6.433 2.614 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.385 7.527 2.118 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.183 8.840 2.512 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.433 7.243 1.258 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -1.011 9.849 2.058 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.265 8.248 0.801 1.00 0.00 C ATOM 1738 CZ PHE A 113 -2.052 9.553 1.200 1.00 0.00 C ATOM 0 H PHE A 113 0.837 5.650 0.282 1.00 0.00 H new ATOM 0 HA PHE A 113 2.322 7.409 1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.028 5.471 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.658 6.549 3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.631 9.077 3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.602 6.225 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.844 10.868 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.080 8.013 0.133 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.698 10.341 0.842 1.00 0.00 H new ATOM 1748 N ARG A 114 2.588 4.149 2.446 1.00 0.00 N ATOM 1749 CA ARG A 114 3.402 3.118 3.079 1.00 0.00 C ATOM 1750 C ARG A 114 4.866 3.256 2.673 1.00 0.00 C ATOM 1751 O ARG A 114 5.286 2.733 1.641 1.00 0.00 O ATOM 1752 CB ARG A 114 2.886 1.728 2.705 1.00 0.00 C ATOM 1753 CG ARG A 114 3.686 0.594 3.324 1.00 0.00 C ATOM 1754 CD ARG A 114 2.888 -0.700 3.353 1.00 0.00 C ATOM 1755 NE ARG A 114 3.554 -1.736 4.137 1.00 0.00 N ATOM 1756 CZ ARG A 114 4.562 -2.471 3.680 1.00 0.00 C ATOM 1757 NH1 ARG A 114 5.018 -2.283 2.449 1.00 0.00 N ATOM 1758 NH2 ARG A 114 5.116 -3.395 4.454 1.00 0.00 N ATOM 0 H ARG A 114 1.848 3.790 1.842 1.00 0.00 H new ATOM 0 HA ARG A 114 3.329 3.245 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.845 1.640 3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.903 1.623 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.605 0.444 2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.978 0.865 4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.900 -0.507 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.738 -1.057 2.334 1.00 0.00 H new ATOM 0 HE ARG A 114 3.227 -1.905 5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.595 -1.573 1.851 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.792 -2.848 2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.768 -3.542 5.402 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.890 -3.958 4.102 1.00 0.00 H new