USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 642 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 68 SER OG : rot 42:sc= 0.0499 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -152:sc= -0.61 (180deg=-0.823) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -2.04! C(o=-2!,f=-3.1!) USER MOD Set 2.2: A 37 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 33 HIS : no HE2:sc= -4.12! C(o=-3.9!,f=-15!) USER MOD Set 3.2: A 51 SER OG : rot -105:sc= 0.243 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.86) USER MOD Single : A 19 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.9!) USER MOD Single : A 20 SER OG : rot -55:sc= 0.164 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 15:sc= 0.922 USER MOD Single : A 27 CYS SG : rot 120:sc= -2.07! USER MOD Single : A 28 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 32 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0.639 K(o=0.64,f=-2!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 62:sc= -1.5 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.02) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.489 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -146:sc= -3.13 (180deg=-6.46!) USER MOD Single : A 91 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.012) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -5:sc= 0.929 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -3.129 -10.443 7.119 1.00 0.00 N ATOM 137 CA TYR A 13 -2.533 -11.166 6.003 1.00 0.00 C ATOM 138 C TYR A 13 -3.321 -10.931 4.718 1.00 0.00 C ATOM 139 O TYR A 13 -4.414 -11.470 4.539 1.00 0.00 O ATOM 140 CB TYR A 13 -2.473 -12.663 6.311 1.00 0.00 C ATOM 141 CG TYR A 13 -3.708 -13.187 7.009 1.00 0.00 C ATOM 142 CD1 TYR A 13 -3.844 -13.088 8.389 1.00 0.00 C ATOM 143 CD2 TYR A 13 -4.737 -13.782 6.290 1.00 0.00 C ATOM 144 CE1 TYR A 13 -4.970 -13.566 9.031 1.00 0.00 C ATOM 145 CE2 TYR A 13 -5.867 -14.261 6.924 1.00 0.00 C ATOM 146 CZ TYR A 13 -5.979 -14.152 8.294 1.00 0.00 C ATOM 147 OH TYR A 13 -7.102 -14.629 8.930 1.00 0.00 O ATOM 0 HA TYR A 13 -1.520 -10.790 5.860 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.332 -13.212 5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.601 -12.863 6.934 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.056 -12.630 8.969 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.652 -13.872 5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.060 -13.482 10.104 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.659 -14.719 6.349 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.716 -15.010 8.268 1.00 0.00 H new ATOM 157 N LEU A 14 -2.758 -10.124 3.826 1.00 0.00 N ATOM 158 CA LEU A 14 -3.406 -9.816 2.556 1.00 0.00 C ATOM 159 C LEU A 14 -2.638 -10.429 1.389 1.00 0.00 C ATOM 160 O LEU A 14 -1.485 -10.833 1.537 1.00 0.00 O ATOM 161 CB LEU A 14 -3.515 -8.302 2.369 1.00 0.00 C ATOM 162 CG LEU A 14 -4.610 -7.604 3.176 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.615 -6.110 2.889 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.971 -8.212 2.868 1.00 0.00 C ATOM 0 H LEU A 14 -1.854 -9.671 3.959 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.407 -10.247 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.557 -7.854 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.684 -8.098 1.312 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.401 -7.749 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.401 -5.630 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.649 -5.684 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.798 -5.944 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.738 -7.702 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.188 -8.099 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.963 -9.271 3.126 1.00 0.00 H new ATOM 176 N ASN A 15 -3.284 -10.494 0.230 1.00 0.00 N ATOM 177 CA ASN A 15 -2.660 -11.057 -0.962 1.00 0.00 C ATOM 178 C ASN A 15 -2.039 -9.959 -1.820 1.00 0.00 C ATOM 179 O ASN A 15 -2.746 -9.184 -2.464 1.00 0.00 O ATOM 180 CB ASN A 15 -3.690 -11.838 -1.781 1.00 0.00 C ATOM 181 CG ASN A 15 -3.783 -13.291 -1.358 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.769 -13.944 -1.111 1.00 0.00 O ATOM 183 ND2 ASN A 15 -5.004 -13.805 -1.272 1.00 0.00 N ATOM 0 H ASN A 15 -4.239 -10.164 0.090 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.869 -11.736 -0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.668 -11.368 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.425 -11.786 -2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.129 -14.778 -0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.817 -13.227 -1.486 1.00 0.00 H new ATOM 190 N VAL A 16 -0.711 -9.899 -1.824 1.00 0.00 N ATOM 191 CA VAL A 16 0.007 -8.898 -2.604 1.00 0.00 C ATOM 192 C VAL A 16 0.484 -9.474 -3.933 1.00 0.00 C ATOM 193 O VAL A 16 1.277 -10.415 -3.965 1.00 0.00 O ATOM 194 CB VAL A 16 1.220 -8.348 -1.831 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.992 -7.354 -2.685 1.00 0.00 C ATOM 196 CG2 VAL A 16 0.774 -7.708 -0.525 1.00 0.00 C ATOM 0 H VAL A 16 -0.111 -10.532 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.693 -8.084 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 16 1.884 -9.179 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.845 -6.976 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.345 -7.849 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.340 -6.524 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.644 -7.325 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.088 -6.888 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.270 -8.452 0.091 1.00 0.00 H new ATOM 206 N LEU A 17 -0.005 -8.903 -5.028 1.00 0.00 N ATOM 207 CA LEU A 17 0.372 -9.359 -6.362 1.00 0.00 C ATOM 208 C LEU A 17 1.877 -9.235 -6.575 1.00 0.00 C ATOM 209 O LEU A 17 2.481 -8.218 -6.234 1.00 0.00 O ATOM 210 CB LEU A 17 -0.374 -8.553 -7.427 1.00 0.00 C ATOM 211 CG LEU A 17 -0.318 -9.109 -8.851 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.004 -10.464 -8.922 1.00 0.00 C ATOM 213 CD2 LEU A 17 -0.955 -8.134 -9.829 1.00 0.00 C ATOM 0 H LEU A 17 -0.663 -8.124 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 17 0.097 -10.410 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.420 -8.476 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.030 -7.541 -7.437 1.00 0.00 H new ATOM 0 HG LEU A 17 0.728 -9.240 -9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.954 -10.844 -9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.503 -11.161 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.047 -10.360 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.906 -8.546 -10.837 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.997 -7.971 -9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.419 -7.185 -9.798 1.00 0.00 H new ATOM 225 N VAL A 18 2.476 -10.276 -7.144 1.00 0.00 N ATOM 226 CA VAL A 18 3.911 -10.283 -7.406 1.00 0.00 C ATOM 227 C VAL A 18 4.224 -10.975 -8.727 1.00 0.00 C ATOM 228 O VAL A 18 3.869 -12.135 -8.932 1.00 0.00 O ATOM 229 CB VAL A 18 4.685 -10.986 -6.275 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.172 -11.028 -6.591 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.434 -10.289 -4.946 1.00 0.00 C ATOM 0 H VAL A 18 1.990 -11.125 -7.432 1.00 0.00 H new ATOM 0 HA VAL A 18 4.228 -9.242 -7.460 1.00 0.00 H new ATOM 0 HB VAL A 18 4.326 -12.012 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.702 -11.528 -5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.331 -11.575 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.550 -10.011 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.988 -10.798 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.765 -9.252 -5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.369 -10.316 -4.716 1.00 0.00 H new ATOM 241 N ASN A 19 4.893 -10.255 -9.622 1.00 0.00 N ATOM 242 CA ASN A 19 5.255 -10.800 -10.925 1.00 0.00 C ATOM 243 C ASN A 19 4.082 -11.551 -11.546 1.00 0.00 C ATOM 244 O ASN A 19 4.238 -12.666 -12.045 1.00 0.00 O ATOM 245 CB ASN A 19 6.461 -11.733 -10.794 1.00 0.00 C ATOM 246 CG ASN A 19 7.779 -11.001 -10.957 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.810 -9.778 -11.090 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.876 -11.750 -10.947 1.00 0.00 N ATOM 0 H ASN A 19 5.195 -9.293 -9.468 1.00 0.00 H new ATOM 0 HA ASN A 19 5.517 -9.968 -11.579 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.437 -12.219 -9.819 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.391 -12.521 -11.544 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.792 -11.314 -11.052 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.802 -12.761 -10.834 1.00 0.00 H new ATOM 255 N SER A 20 2.906 -10.933 -11.512 1.00 0.00 N ATOM 256 CA SER A 20 1.704 -11.544 -12.068 1.00 0.00 C ATOM 257 C SER A 20 1.378 -12.851 -11.352 1.00 0.00 C ATOM 258 O SER A 20 0.947 -13.821 -11.975 1.00 0.00 O ATOM 259 CB SER A 20 1.883 -11.801 -13.566 1.00 0.00 C ATOM 260 OG SER A 20 0.638 -12.054 -14.193 1.00 0.00 O ATOM 0 H SER A 20 2.760 -10.009 -11.105 1.00 0.00 H new ATOM 0 HA SER A 20 0.874 -10.853 -11.922 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.359 -10.938 -14.032 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.548 -12.652 -13.715 1.00 0.00 H new ATOM 0 HG SER A 20 0.189 -12.798 -13.740 1.00 0.00 H new ATOM 266 N GLN A 21 1.587 -12.867 -10.040 1.00 0.00 N ATOM 267 CA GLN A 21 1.316 -14.055 -9.238 1.00 0.00 C ATOM 268 C GLN A 21 0.936 -13.673 -7.811 1.00 0.00 C ATOM 269 O GLN A 21 1.691 -12.992 -7.118 1.00 0.00 O ATOM 270 CB GLN A 21 2.537 -14.976 -9.224 1.00 0.00 C ATOM 271 CG GLN A 21 2.847 -15.597 -10.577 1.00 0.00 C ATOM 272 CD GLN A 21 3.713 -16.836 -10.465 1.00 0.00 C ATOM 273 OE1 GLN A 21 3.215 -17.961 -10.507 1.00 0.00 O ATOM 274 NE2 GLN A 21 5.018 -16.636 -10.323 1.00 0.00 N ATOM 0 H GLN A 21 1.943 -12.072 -9.510 1.00 0.00 H new ATOM 0 HA GLN A 21 0.476 -14.584 -9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.405 -14.410 -8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.373 -15.772 -8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.913 -15.855 -11.077 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.351 -14.861 -11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.388 -15.686 -10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.650 -17.432 -10.244 1.00 0.00 H new ATOM 283 N TRP A 22 -0.239 -14.117 -7.379 1.00 0.00 N ATOM 284 CA TRP A 22 -0.720 -13.821 -6.034 1.00 0.00 C ATOM 285 C TRP A 22 0.019 -14.658 -4.996 1.00 0.00 C ATOM 286 O TRP A 22 -0.163 -15.873 -4.919 1.00 0.00 O ATOM 287 CB TRP A 22 -2.224 -14.080 -5.940 1.00 0.00 C ATOM 288 CG TRP A 22 -3.035 -13.215 -6.857 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.509 -13.551 -8.093 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.463 -11.871 -6.612 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.207 -12.496 -8.631 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.195 -11.455 -7.741 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.303 -10.981 -5.547 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.761 -10.186 -7.835 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.865 -9.722 -5.641 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.588 -9.334 -6.778 1.00 0.00 C ATOM 0 H TRP A 22 -0.876 -14.683 -7.940 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.527 -12.768 -5.829 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.420 -15.127 -6.172 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.550 -13.914 -4.913 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.358 -14.505 -8.576 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.660 -12.489 -9.545 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.750 -11.272 -4.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.317 -9.885 -8.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.745 -9.025 -4.825 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.017 -8.344 -6.820 1.00 0.00 H new ATOM 307 N LYS A 23 0.853 -14.001 -4.198 1.00 0.00 N ATOM 308 CA LYS A 23 1.619 -14.684 -3.162 1.00 0.00 C ATOM 309 C LYS A 23 1.295 -14.118 -1.783 1.00 0.00 C ATOM 310 O LYS A 23 0.930 -12.950 -1.651 1.00 0.00 O ATOM 311 CB LYS A 23 3.119 -14.554 -3.438 1.00 0.00 C ATOM 312 CG LYS A 23 3.533 -15.074 -4.805 1.00 0.00 C ATOM 313 CD LYS A 23 5.038 -15.251 -4.901 1.00 0.00 C ATOM 314 CE LYS A 23 5.545 -14.962 -6.305 1.00 0.00 C ATOM 315 NZ LYS A 23 6.977 -15.336 -6.466 1.00 0.00 N ATOM 0 H LYS A 23 1.016 -12.995 -4.249 1.00 0.00 H new ATOM 0 HA LYS A 23 1.343 -15.738 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.406 -13.506 -3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.670 -15.097 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.041 -16.027 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.197 -14.381 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.530 -14.585 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.304 -16.270 -4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.943 -15.511 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.420 -13.902 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.284 -15.123 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.555 -14.793 -5.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.093 -16.353 -6.281 1.00 0.00 H new ATOM 329 N SER A 24 1.432 -14.953 -0.758 1.00 0.00 N ATOM 330 CA SER A 24 1.151 -14.537 0.611 1.00 0.00 C ATOM 331 C SER A 24 2.195 -13.536 1.099 1.00 0.00 C ATOM 332 O SER A 24 3.384 -13.846 1.165 1.00 0.00 O ATOM 333 CB SER A 24 1.119 -15.752 1.540 1.00 0.00 C ATOM 334 OG SER A 24 2.425 -16.250 1.773 1.00 0.00 O ATOM 0 H SER A 24 1.736 -15.922 -0.850 1.00 0.00 H new ATOM 0 HA SER A 24 0.174 -14.053 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.657 -15.477 2.488 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.501 -16.534 1.099 1.00 0.00 H new ATOM 0 HG SER A 24 3.085 -15.580 1.496 1.00 0.00 H new ATOM 340 N ARG A 25 1.740 -12.335 1.439 1.00 0.00 N ATOM 341 CA ARG A 25 2.633 -11.288 1.920 1.00 0.00 C ATOM 342 C ARG A 25 2.008 -10.536 3.091 1.00 0.00 C ATOM 343 O ARG A 25 0.797 -10.316 3.125 1.00 0.00 O ATOM 344 CB ARG A 25 2.963 -10.311 0.790 1.00 0.00 C ATOM 345 CG ARG A 25 3.625 -9.029 1.268 1.00 0.00 C ATOM 346 CD ARG A 25 5.107 -9.236 1.542 1.00 0.00 C ATOM 347 NE ARG A 25 5.906 -9.152 0.322 1.00 0.00 N ATOM 348 CZ ARG A 25 6.224 -10.205 -0.423 1.00 0.00 C ATOM 349 NH1 ARG A 25 5.812 -11.416 -0.074 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.955 -10.048 -1.519 1.00 0.00 N ATOM 0 H ARG A 25 0.758 -12.063 1.390 1.00 0.00 H new ATOM 0 HA ARG A 25 3.554 -11.760 2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.621 -10.805 0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.045 -10.060 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.498 -8.250 0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.131 -8.680 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.452 -8.486 2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.257 -10.210 2.007 1.00 0.00 H new ATOM 0 HE ARG A 25 6.238 -8.234 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.250 -11.540 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.057 -12.223 -0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.274 -9.118 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.198 -10.857 -2.090 1.00 0.00 H new ATOM 364 N TRP A 26 2.841 -10.144 4.048 1.00 0.00 N ATOM 365 CA TRP A 26 2.370 -9.417 5.221 1.00 0.00 C ATOM 366 C TRP A 26 2.221 -7.930 4.917 1.00 0.00 C ATOM 367 O TRP A 26 3.127 -7.307 4.363 1.00 0.00 O ATOM 368 CB TRP A 26 3.335 -9.616 6.392 1.00 0.00 C ATOM 369 CG TRP A 26 2.776 -9.161 7.706 1.00 0.00 C ATOM 370 CD1 TRP A 26 2.653 -7.872 8.142 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.267 -9.992 8.755 1.00 0.00 C ATOM 372 NE1 TRP A 26 2.098 -7.853 9.399 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.851 -9.140 9.797 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.119 -11.372 8.914 1.00 0.00 C ATOM 375 CZ2 TRP A 26 1.300 -9.626 10.979 1.00 0.00 C ATOM 376 CZ3 TRP A 26 1.572 -11.852 10.089 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.167 -10.981 11.109 1.00 0.00 C ATOM 0 H TRP A 26 3.846 -10.317 4.035 1.00 0.00 H new ATOM 0 HA TRP A 26 1.392 -9.813 5.494 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.597 -10.672 6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.258 -9.072 6.190 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.948 -6.997 7.582 1.00 0.00 H new ATOM 0 HE1 TRP A 26 1.902 -7.016 9.947 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.426 -12.052 8.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.988 -8.956 11.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.455 -12.917 10.223 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.742 -11.387 12.015 1.00 0.00 H new ATOM 388 N CYS A 27 1.074 -7.368 5.281 1.00 0.00 N ATOM 389 CA CYS A 27 0.806 -5.954 5.046 1.00 0.00 C ATOM 390 C CYS A 27 0.596 -5.214 6.363 1.00 0.00 C ATOM 391 O CYS A 27 -0.213 -5.624 7.194 1.00 0.00 O ATOM 392 CB CYS A 27 -0.423 -5.788 4.152 1.00 0.00 C ATOM 393 SG CYS A 27 -1.929 -6.531 4.822 1.00 0.00 S ATOM 0 H CYS A 27 0.314 -7.870 5.740 1.00 0.00 H new ATOM 0 HA CYS A 27 1.672 -5.524 4.543 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.598 -4.725 3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.214 -6.232 3.179 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.835 -5.612 4.976 1.00 0.00 H new ATOM 399 N SER A 28 1.332 -4.122 6.546 1.00 0.00 N ATOM 400 CA SER A 28 1.230 -3.327 7.764 1.00 0.00 C ATOM 401 C SER A 28 1.281 -1.836 7.446 1.00 0.00 C ATOM 402 O SER A 28 2.283 -1.331 6.940 1.00 0.00 O ATOM 403 CB SER A 28 2.358 -3.692 8.732 1.00 0.00 C ATOM 404 OG SER A 28 1.964 -4.738 9.602 1.00 0.00 O ATOM 0 H SER A 28 2.005 -3.768 5.866 1.00 0.00 H new ATOM 0 HA SER A 28 0.271 -3.548 8.233 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.241 -3.996 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.639 -2.815 9.316 1.00 0.00 H new ATOM 0 HG SER A 28 2.702 -4.954 10.209 1.00 0.00 H new ATOM 410 N VAL A 29 0.191 -1.136 7.746 1.00 0.00 N ATOM 411 CA VAL A 29 0.110 0.298 7.493 1.00 0.00 C ATOM 412 C VAL A 29 0.393 1.096 8.761 1.00 0.00 C ATOM 413 O VAL A 29 -0.113 0.773 9.836 1.00 0.00 O ATOM 414 CB VAL A 29 -1.276 0.694 6.949 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.386 2.206 6.819 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.537 0.015 5.614 1.00 0.00 C ATOM 0 H VAL A 29 -0.648 -1.539 8.164 1.00 0.00 H new ATOM 0 HA VAL A 29 0.867 0.531 6.744 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.035 0.358 7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.371 2.467 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.245 2.666 7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.620 2.569 6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.520 0.306 5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.775 0.319 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.503 -1.067 5.743 1.00 0.00 H new ATOM 426 N ARG A 30 1.206 2.139 8.627 1.00 0.00 N ATOM 427 CA ARG A 30 1.557 2.984 9.762 1.00 0.00 C ATOM 428 C ARG A 30 2.176 4.297 9.292 1.00 0.00 C ATOM 429 O ARG A 30 3.003 4.313 8.379 1.00 0.00 O ATOM 430 CB ARG A 30 2.531 2.252 10.688 1.00 0.00 C ATOM 431 CG ARG A 30 2.735 2.943 12.026 1.00 0.00 C ATOM 432 CD ARG A 30 3.976 2.424 12.737 1.00 0.00 C ATOM 433 NE ARG A 30 4.348 3.265 13.872 1.00 0.00 N ATOM 434 CZ ARG A 30 3.650 3.327 15.000 1.00 0.00 C ATOM 435 NH1 ARG A 30 2.550 2.600 15.144 1.00 0.00 N ATOM 436 NH2 ARG A 30 4.053 4.116 15.988 1.00 0.00 N ATOM 0 H ARG A 30 1.634 2.419 7.744 1.00 0.00 H new ATOM 0 HA ARG A 30 0.643 3.209 10.311 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.162 1.241 10.863 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.494 2.158 10.187 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.826 4.018 11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.860 2.784 12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.796 1.406 13.083 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.806 2.379 12.032 1.00 0.00 H new ATOM 0 HE ARG A 30 5.190 3.836 13.794 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.238 1.991 14.387 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.016 2.650 16.012 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.899 4.675 15.881 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.516 4.163 16.854 1.00 0.00 H new ATOM 450 N ASP A 31 1.770 5.395 9.919 1.00 0.00 N ATOM 451 CA ASP A 31 2.285 6.713 9.566 1.00 0.00 C ATOM 452 C ASP A 31 1.986 7.039 8.106 1.00 0.00 C ATOM 453 O ASP A 31 2.813 7.625 7.409 1.00 0.00 O ATOM 454 CB ASP A 31 3.792 6.780 9.818 1.00 0.00 C ATOM 455 CG ASP A 31 4.123 7.154 11.249 1.00 0.00 C ATOM 456 OD1 ASP A 31 3.682 6.432 12.168 1.00 0.00 O ATOM 457 OD2 ASP A 31 4.822 8.169 11.451 1.00 0.00 O ATOM 0 H ASP A 31 1.085 5.399 10.675 1.00 0.00 H new ATOM 0 HA ASP A 31 1.787 7.451 10.194 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.240 5.814 9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.238 7.509 9.142 1.00 0.00 H new ATOM 462 N ASN A 32 0.798 6.654 7.650 1.00 0.00 N ATOM 463 CA ASN A 32 0.391 6.904 6.272 1.00 0.00 C ATOM 464 C ASN A 32 1.341 6.223 5.292 1.00 0.00 C ATOM 465 O ASN A 32 1.681 6.784 4.249 1.00 0.00 O ATOM 466 CB ASN A 32 0.347 8.408 5.996 1.00 0.00 C ATOM 467 CG ASN A 32 -0.459 9.164 7.035 1.00 0.00 C ATOM 468 OD1 ASN A 32 0.065 10.031 7.734 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.742 8.836 7.142 1.00 0.00 N ATOM 0 H ASN A 32 0.101 6.168 8.214 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.606 6.487 6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.364 8.800 5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.084 8.581 5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.334 9.309 7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.135 8.111 6.542 1.00 0.00 H new ATOM 476 N HIS A 33 1.766 5.011 5.633 1.00 0.00 N ATOM 477 CA HIS A 33 2.676 4.252 4.782 1.00 0.00 C ATOM 478 C HIS A 33 2.387 2.757 4.874 1.00 0.00 C ATOM 479 O HIS A 33 2.201 2.216 5.965 1.00 0.00 O ATOM 480 CB HIS A 33 4.127 4.528 5.179 1.00 0.00 C ATOM 481 CG HIS A 33 4.679 5.789 4.589 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.296 7.046 5.007 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.593 5.983 3.610 1.00 0.00 C ATOM 484 CE1 HIS A 33 4.949 7.958 4.309 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.743 7.339 3.454 1.00 0.00 N ATOM 0 H HIS A 33 1.495 4.533 6.492 1.00 0.00 H new ATOM 0 HA HIS A 33 2.521 4.571 3.751 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.193 4.585 6.265 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.747 3.688 4.866 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.615 7.241 5.741 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.109 5.214 3.054 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.850 9.028 4.419 1.00 0.00 H new ATOM 494 N LEU A 34 2.349 2.095 3.723 1.00 0.00 N ATOM 495 CA LEU A 34 2.081 0.662 3.673 1.00 0.00 C ATOM 496 C LEU A 34 3.380 -0.132 3.587 1.00 0.00 C ATOM 497 O LEU A 34 4.061 -0.120 2.560 1.00 0.00 O ATOM 498 CB LEU A 34 1.187 0.332 2.476 1.00 0.00 C ATOM 499 CG LEU A 34 1.159 -1.135 2.045 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.917 -2.039 3.243 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.092 -1.358 0.982 1.00 0.00 C ATOM 0 H LEU A 34 2.500 2.528 2.812 1.00 0.00 H new ATOM 0 HA LEU A 34 1.566 0.381 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.169 0.640 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.513 0.933 1.627 1.00 0.00 H new ATOM 0 HG LEU A 34 2.129 -1.386 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.900 -3.079 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.716 -1.900 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.039 -1.787 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.086 -2.407 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.884 -1.089 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.310 -0.738 0.112 1.00 0.00 H new ATOM 513 N HIS A 35 3.719 -0.823 4.670 1.00 0.00 N ATOM 514 CA HIS A 35 4.935 -1.626 4.716 1.00 0.00 C ATOM 515 C HIS A 35 4.648 -3.071 4.320 1.00 0.00 C ATOM 516 O HIS A 35 3.499 -3.514 4.338 1.00 0.00 O ATOM 517 CB HIS A 35 5.549 -1.581 6.116 1.00 0.00 C ATOM 518 CG HIS A 35 5.886 -0.197 6.578 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.178 0.226 6.810 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.090 0.864 6.849 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.162 1.486 7.206 1.00 0.00 C ATOM 522 NE2 HIS A 35 5.907 1.897 7.237 1.00 0.00 N ATOM 0 H HIS A 35 3.168 -0.843 5.528 1.00 0.00 H new ATOM 0 HA HIS A 35 5.644 -1.207 4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.853 -2.032 6.824 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.454 -2.189 6.127 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.013 0.893 6.774 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.028 2.079 7.461 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.595 2.830 7.506 1.00 0.00 H new ATOM 531 N PHE A 36 5.699 -3.802 3.962 1.00 0.00 N ATOM 532 CA PHE A 36 5.559 -5.197 3.560 1.00 0.00 C ATOM 533 C PHE A 36 6.541 -6.083 4.321 1.00 0.00 C ATOM 534 O PHE A 36 7.676 -5.685 4.587 1.00 0.00 O ATOM 535 CB PHE A 36 5.786 -5.341 2.054 1.00 0.00 C ATOM 536 CG PHE A 36 4.801 -4.569 1.223 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.840 -3.184 1.186 1.00 0.00 C ATOM 538 CD2 PHE A 36 3.835 -5.228 0.480 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.935 -2.471 0.422 1.00 0.00 C ATOM 540 CE2 PHE A 36 2.928 -4.521 -0.286 1.00 0.00 C ATOM 541 CZ PHE A 36 2.977 -3.141 -0.314 1.00 0.00 C ATOM 0 H PHE A 36 6.657 -3.451 3.942 1.00 0.00 H new ATOM 0 HA PHE A 36 4.545 -5.519 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.795 -5.005 1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.728 -6.396 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.586 -2.656 1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.790 -6.307 0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.977 -1.392 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.181 -5.047 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.267 -2.587 -0.910 1.00 0.00 H new ATOM 551 N TYR A 37 6.097 -7.286 4.667 1.00 0.00 N ATOM 552 CA TYR A 37 6.935 -8.228 5.400 1.00 0.00 C ATOM 553 C TYR A 37 6.579 -9.667 5.040 1.00 0.00 C ATOM 554 O TYR A 37 5.565 -9.923 4.390 1.00 0.00 O ATOM 555 CB TYR A 37 6.781 -8.015 6.907 1.00 0.00 C ATOM 556 CG TYR A 37 6.957 -6.576 7.335 1.00 0.00 C ATOM 557 CD1 TYR A 37 8.209 -6.080 7.676 1.00 0.00 C ATOM 558 CD2 TYR A 37 5.870 -5.712 7.401 1.00 0.00 C ATOM 559 CE1 TYR A 37 8.375 -4.766 8.069 1.00 0.00 C ATOM 560 CE2 TYR A 37 6.027 -4.396 7.792 1.00 0.00 C ATOM 561 CZ TYR A 37 7.280 -3.928 8.125 1.00 0.00 C ATOM 562 OH TYR A 37 7.440 -2.618 8.516 1.00 0.00 O ATOM 0 H TYR A 37 5.162 -7.632 4.452 1.00 0.00 H new ATOM 0 HA TYR A 37 7.972 -8.047 5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.794 -8.359 7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.511 -8.633 7.430 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.068 -6.733 7.633 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.886 -6.075 7.142 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.356 -4.397 8.331 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.172 -3.737 7.836 1.00 0.00 H new ATOM 0 HH TYR A 37 8.335 -2.308 8.263 1.00 0.00 H new ATOM 572 N GLN A 38 7.420 -10.603 5.468 1.00 0.00 N ATOM 573 CA GLN A 38 7.195 -12.017 5.191 1.00 0.00 C ATOM 574 C GLN A 38 6.869 -12.777 6.472 1.00 0.00 C ATOM 575 O GLN A 38 5.951 -13.597 6.502 1.00 0.00 O ATOM 576 CB GLN A 38 8.426 -12.629 4.519 1.00 0.00 C ATOM 577 CG GLN A 38 8.828 -11.928 3.232 1.00 0.00 C ATOM 578 CD GLN A 38 10.006 -12.595 2.548 1.00 0.00 C ATOM 579 OE1 GLN A 38 11.124 -12.079 2.569 1.00 0.00 O ATOM 580 NE2 GLN A 38 9.761 -13.748 1.937 1.00 0.00 N ATOM 0 H GLN A 38 8.263 -10.408 6.008 1.00 0.00 H new ATOM 0 HA GLN A 38 6.343 -12.098 4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.263 -12.598 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.228 -13.679 4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.978 -11.913 2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.080 -10.890 3.451 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.819 -14.139 1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.515 -14.243 1.460 1.00 0.00 H new ATOM 712 N ALA A 46 9.749 -7.953 3.240 1.00 0.00 N ATOM 713 CA ALA A 46 9.676 -8.462 1.876 1.00 0.00 C ATOM 714 C ALA A 46 10.180 -7.426 0.876 1.00 0.00 C ATOM 715 O ALA A 46 10.817 -7.771 -0.119 1.00 0.00 O ATOM 716 CB ALA A 46 8.250 -8.871 1.541 1.00 0.00 C ATOM 0 HA ALA A 46 10.320 -9.339 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.210 -9.249 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.924 -9.651 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.592 -8.007 1.634 1.00 0.00 H new ATOM 722 N GLN A 47 9.891 -6.158 1.148 1.00 0.00 N ATOM 723 CA GLN A 47 10.314 -5.073 0.271 1.00 0.00 C ATOM 724 C GLN A 47 10.194 -3.725 0.974 1.00 0.00 C ATOM 725 O GLN A 47 9.769 -3.653 2.127 1.00 0.00 O ATOM 726 CB GLN A 47 9.479 -5.070 -1.010 1.00 0.00 C ATOM 727 CG GLN A 47 7.996 -4.838 -0.769 1.00 0.00 C ATOM 728 CD GLN A 47 7.284 -4.288 -1.989 1.00 0.00 C ATOM 729 OE1 GLN A 47 7.921 -3.859 -2.952 1.00 0.00 O ATOM 730 NE2 GLN A 47 5.957 -4.298 -1.956 1.00 0.00 N ATOM 0 H GLN A 47 9.366 -5.857 1.969 1.00 0.00 H new ATOM 0 HA GLN A 47 11.361 -5.235 0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.856 -4.295 -1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.611 -6.023 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.529 -5.777 -0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.871 -4.145 0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.470 -4.663 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.424 -3.941 -2.749 1.00 0.00 H new ATOM 739 N GLN A 48 10.571 -2.661 0.273 1.00 0.00 N ATOM 740 CA GLN A 48 10.506 -1.316 0.832 1.00 0.00 C ATOM 741 C GLN A 48 9.063 -0.917 1.123 1.00 0.00 C ATOM 742 O GLN A 48 8.120 -1.409 0.503 1.00 0.00 O ATOM 743 CB GLN A 48 11.141 -0.310 -0.130 1.00 0.00 C ATOM 744 CG GLN A 48 12.633 -0.117 0.089 1.00 0.00 C ATOM 745 CD GLN A 48 13.312 0.561 -1.084 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.591 -0.070 -2.104 1.00 0.00 O ATOM 747 NE2 GLN A 48 13.583 1.853 -0.945 1.00 0.00 N ATOM 0 H GLN A 48 10.925 -2.704 -0.683 1.00 0.00 H new ATOM 0 HA GLN A 48 11.061 -1.312 1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.973 -0.643 -1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.639 0.651 -0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.790 0.478 0.989 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.099 -1.087 0.263 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.334 2.336 -0.082 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.040 2.362 -1.701 1.00 0.00 H new ATOM 756 N PRO A 49 8.885 -0.005 2.090 1.00 0.00 N ATOM 757 CA PRO A 49 7.559 0.480 2.486 1.00 0.00 C ATOM 758 C PRO A 49 6.915 1.350 1.412 1.00 0.00 C ATOM 759 O PRO A 49 7.569 1.748 0.447 1.00 0.00 O ATOM 760 CB PRO A 49 7.845 1.307 3.743 1.00 0.00 C ATOM 761 CG PRO A 49 9.263 1.739 3.598 1.00 0.00 C ATOM 762 CD PRO A 49 9.963 0.624 2.871 1.00 0.00 C ATOM 0 HA PRO A 49 6.857 -0.338 2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.175 2.164 3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.702 0.715 4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.331 2.673 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.719 1.916 4.572 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.758 1.001 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.421 -0.082 3.564 1.00 0.00 H new ATOM 770 N LEU A 50 5.631 1.642 1.585 1.00 0.00 N ATOM 771 CA LEU A 50 4.898 2.466 0.630 1.00 0.00 C ATOM 772 C LEU A 50 4.396 3.747 1.288 1.00 0.00 C ATOM 773 O LEU A 50 4.100 3.768 2.482 1.00 0.00 O ATOM 774 CB LEU A 50 3.720 1.682 0.049 1.00 0.00 C ATOM 775 CG LEU A 50 4.020 0.842 -1.193 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.738 0.255 -1.763 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.737 1.678 -2.243 1.00 0.00 C ATOM 0 H LEU A 50 5.076 1.320 2.378 1.00 0.00 H new ATOM 0 HA LEU A 50 5.579 2.737 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.331 1.022 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.926 2.387 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 50 4.675 0.020 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.971 -0.340 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.264 -0.379 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.059 1.062 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.942 1.063 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.107 2.520 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.676 2.050 -1.833 1.00 0.00 H new ATOM 789 N SER A 51 4.301 4.813 0.500 1.00 0.00 N ATOM 790 CA SER A 51 3.836 6.099 1.006 1.00 0.00 C ATOM 791 C SER A 51 2.452 6.431 0.457 1.00 0.00 C ATOM 792 O SER A 51 2.316 7.205 -0.491 1.00 0.00 O ATOM 793 CB SER A 51 4.824 7.206 0.632 1.00 0.00 C ATOM 794 OG SER A 51 6.149 6.849 0.988 1.00 0.00 O ATOM 0 H SER A 51 4.540 4.812 -0.492 1.00 0.00 H new ATOM 0 HA SER A 51 3.771 6.032 2.092 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.771 7.398 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.546 8.132 1.136 1.00 0.00 H new ATOM 0 HG SER A 51 6.417 7.344 1.790 1.00 0.00 H new ATOM 800 N LEU A 52 1.427 5.839 1.060 1.00 0.00 N ATOM 801 CA LEU A 52 0.051 6.070 0.633 1.00 0.00 C ATOM 802 C LEU A 52 -0.194 7.552 0.364 1.00 0.00 C ATOM 803 O LEU A 52 -0.844 7.916 -0.616 1.00 0.00 O ATOM 804 CB LEU A 52 -0.926 5.566 1.697 1.00 0.00 C ATOM 805 CG LEU A 52 -0.797 4.091 2.081 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.564 3.804 3.363 1.00 0.00 C ATOM 807 CD2 LEU A 52 -1.293 3.201 0.950 1.00 0.00 C ATOM 0 H LEU A 52 1.522 5.196 1.846 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.113 5.519 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.795 6.168 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.941 5.741 1.341 1.00 0.00 H new ATOM 0 HG LEU A 52 0.256 3.871 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.461 2.750 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.164 4.416 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.618 4.040 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.194 2.155 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.340 3.423 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.700 3.387 0.054 1.00 0.00 H new ATOM 819 N VAL A 53 0.334 8.402 1.239 1.00 0.00 N ATOM 820 CA VAL A 53 0.176 9.844 1.094 1.00 0.00 C ATOM 821 C VAL A 53 0.435 10.284 -0.343 1.00 0.00 C ATOM 822 O VAL A 53 1.583 10.402 -0.769 1.00 0.00 O ATOM 823 CB VAL A 53 1.126 10.610 2.033 1.00 0.00 C ATOM 824 CG1 VAL A 53 0.913 12.111 1.901 1.00 0.00 C ATOM 825 CG2 VAL A 53 0.929 10.160 3.473 1.00 0.00 C ATOM 0 H VAL A 53 0.875 8.117 2.056 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.854 10.078 1.362 1.00 0.00 H new ATOM 0 HB VAL A 53 2.153 10.386 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.593 12.635 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.109 12.417 0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.116 12.357 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.608 10.712 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.100 10.352 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.137 9.093 3.552 1.00 0.00 H new ATOM 835 N GLY A 54 -0.641 10.525 -1.086 1.00 0.00 N ATOM 836 CA GLY A 54 -0.508 10.950 -2.467 1.00 0.00 C ATOM 837 C GLY A 54 -1.108 9.954 -3.440 1.00 0.00 C ATOM 838 O GLY A 54 -1.720 10.341 -4.436 1.00 0.00 O ATOM 0 H GLY A 54 -1.602 10.434 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.995 11.917 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.547 11.091 -2.701 1.00 0.00 H new ATOM 842 N CYS A 55 -0.932 8.669 -3.152 1.00 0.00 N ATOM 843 CA CYS A 55 -1.459 7.614 -4.011 1.00 0.00 C ATOM 844 C CYS A 55 -2.983 7.592 -3.972 1.00 0.00 C ATOM 845 O CYS A 55 -3.608 8.404 -3.290 1.00 0.00 O ATOM 846 CB CYS A 55 -0.906 6.255 -3.581 1.00 0.00 C ATOM 847 SG CYS A 55 0.779 6.316 -2.927 1.00 0.00 S ATOM 0 H CYS A 55 -0.429 8.333 -2.331 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.143 7.820 -5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.564 5.831 -2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.928 5.579 -4.436 1.00 0.00 H new ATOM 0 HG CYS A 55 0.805 7.063 -1.863 1.00 0.00 H new ATOM 853 N GLU A 56 -3.576 6.658 -4.709 1.00 0.00 N ATOM 854 CA GLU A 56 -5.027 6.532 -4.760 1.00 0.00 C ATOM 855 C GLU A 56 -5.444 5.068 -4.867 1.00 0.00 C ATOM 856 O GLU A 56 -5.087 4.378 -5.822 1.00 0.00 O ATOM 857 CB GLU A 56 -5.588 7.321 -5.945 1.00 0.00 C ATOM 858 CG GLU A 56 -7.041 7.002 -6.256 1.00 0.00 C ATOM 859 CD GLU A 56 -7.976 7.382 -5.125 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.723 8.411 -4.464 1.00 0.00 O ATOM 861 OE2 GLU A 56 -8.963 6.649 -4.900 1.00 0.00 O ATOM 0 H GLU A 56 -3.073 5.978 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.434 6.940 -3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.495 8.387 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.983 7.114 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.339 7.530 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.139 5.936 -6.461 1.00 0.00 H new ATOM 868 N VAL A 57 -6.201 4.601 -3.880 1.00 0.00 N ATOM 869 CA VAL A 57 -6.666 3.219 -3.862 1.00 0.00 C ATOM 870 C VAL A 57 -7.986 3.074 -4.611 1.00 0.00 C ATOM 871 O VAL A 57 -8.937 3.816 -4.364 1.00 0.00 O ATOM 872 CB VAL A 57 -6.848 2.707 -2.420 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.276 1.247 -2.422 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.566 2.894 -1.623 1.00 0.00 C ATOM 0 H VAL A 57 -6.506 5.159 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.902 2.621 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.635 3.291 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.400 0.903 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.221 1.146 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.514 0.645 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.712 2.527 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.758 2.337 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.307 3.952 -1.593 1.00 0.00 H new ATOM 884 N VAL A 58 -8.038 2.113 -5.528 1.00 0.00 N ATOM 885 CA VAL A 58 -9.242 1.869 -6.313 1.00 0.00 C ATOM 886 C VAL A 58 -9.598 0.387 -6.328 1.00 0.00 C ATOM 887 O VAL A 58 -8.734 -0.483 -6.446 1.00 0.00 O ATOM 888 CB VAL A 58 -9.076 2.361 -7.763 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.598 3.782 -7.909 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.618 2.273 -8.191 1.00 0.00 C ATOM 0 H VAL A 58 -7.260 1.491 -5.745 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.048 2.428 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.663 1.716 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.472 4.112 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.655 3.810 -7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.041 4.444 -7.246 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.518 2.624 -9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.008 2.893 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.282 1.238 -8.128 1.00 0.00 H new ATOM 900 N PRO A 59 -10.900 0.090 -6.204 1.00 0.00 N ATOM 901 CA PRO A 59 -11.400 -1.288 -6.202 1.00 0.00 C ATOM 902 C PRO A 59 -11.277 -1.952 -7.569 1.00 0.00 C ATOM 903 O PRO A 59 -12.170 -1.836 -8.409 1.00 0.00 O ATOM 904 CB PRO A 59 -12.873 -1.130 -5.815 1.00 0.00 C ATOM 905 CG PRO A 59 -13.229 0.253 -6.239 1.00 0.00 C ATOM 906 CD PRO A 59 -11.984 1.075 -6.059 1.00 0.00 C ATOM 0 HA PRO A 59 -10.833 -1.926 -5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.496 -1.871 -6.317 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.018 -1.265 -4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.561 0.270 -7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.047 0.647 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.912 1.864 -6.807 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.960 1.558 -5.082 1.00 0.00 H new ATOM 914 N ASP A 60 -10.167 -2.648 -7.786 1.00 0.00 N ATOM 915 CA ASP A 60 -9.928 -3.332 -9.051 1.00 0.00 C ATOM 916 C ASP A 60 -10.087 -4.841 -8.892 1.00 0.00 C ATOM 917 O ASP A 60 -9.111 -5.590 -8.833 1.00 0.00 O ATOM 918 CB ASP A 60 -8.528 -3.007 -9.575 1.00 0.00 C ATOM 919 CG ASP A 60 -8.456 -3.034 -11.090 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.180 -2.245 -11.733 1.00 0.00 O ATOM 921 OD2 ASP A 60 -7.676 -3.844 -11.631 1.00 0.00 O ATOM 0 H ASP A 60 -9.418 -2.753 -7.102 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.668 -2.981 -9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.229 -2.022 -9.217 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.815 -3.724 -9.167 1.00 0.00 H new ATOM 926 N PRO A 61 -11.345 -5.300 -8.818 1.00 0.00 N ATOM 927 CA PRO A 61 -11.661 -6.723 -8.664 1.00 0.00 C ATOM 928 C PRO A 61 -11.337 -7.528 -9.917 1.00 0.00 C ATOM 929 O PRO A 61 -11.144 -6.966 -10.995 1.00 0.00 O ATOM 930 CB PRO A 61 -13.169 -6.724 -8.402 1.00 0.00 C ATOM 931 CG PRO A 61 -13.665 -5.469 -9.032 1.00 0.00 C ATOM 932 CD PRO A 61 -12.556 -4.464 -8.881 1.00 0.00 C ATOM 0 HA PRO A 61 -11.076 -7.187 -7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.646 -7.601 -8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.385 -6.743 -7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.907 -5.629 -10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.576 -5.121 -8.545 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.523 -3.772 -9.723 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.677 -3.864 -7.979 1.00 0.00 H new ATOM 940 N SER A 62 -11.279 -8.848 -9.769 1.00 0.00 N ATOM 941 CA SER A 62 -10.975 -9.730 -10.889 1.00 0.00 C ATOM 942 C SER A 62 -12.118 -10.711 -11.134 1.00 0.00 C ATOM 943 O SER A 62 -13.015 -10.877 -10.307 1.00 0.00 O ATOM 944 CB SER A 62 -9.678 -10.497 -10.624 1.00 0.00 C ATOM 945 OG SER A 62 -8.578 -9.874 -11.265 1.00 0.00 O ATOM 0 H SER A 62 -11.439 -9.330 -8.884 1.00 0.00 H new ATOM 0 HA SER A 62 -10.850 -9.115 -11.780 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.496 -10.550 -9.551 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.778 -11.522 -10.981 1.00 0.00 H new ATOM 0 HG SER A 62 -7.761 -10.382 -11.079 1.00 0.00 H new ATOM 951 N PRO A 63 -12.085 -11.378 -12.297 1.00 0.00 N ATOM 952 CA PRO A 63 -13.109 -12.355 -12.678 1.00 0.00 C ATOM 953 C PRO A 63 -13.043 -13.624 -11.836 1.00 0.00 C ATOM 954 O PRO A 63 -13.791 -14.574 -12.068 1.00 0.00 O ATOM 955 CB PRO A 63 -12.777 -12.664 -14.140 1.00 0.00 C ATOM 956 CG PRO A 63 -11.322 -12.372 -14.268 1.00 0.00 C ATOM 957 CD PRO A 63 -11.045 -11.231 -13.329 1.00 0.00 C ATOM 0 HA PRO A 63 -14.117 -11.968 -12.528 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.995 -13.704 -14.384 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.366 -12.047 -14.819 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.724 -13.246 -14.008 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.066 -12.105 -15.293 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.044 -11.296 -12.903 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.114 -10.268 -13.835 1.00 0.00 H new ATOM 965 N ASP A 64 -12.143 -13.633 -10.859 1.00 0.00 N ATOM 966 CA ASP A 64 -11.980 -14.786 -9.981 1.00 0.00 C ATOM 967 C ASP A 64 -12.120 -14.379 -8.517 1.00 0.00 C ATOM 968 O ASP A 64 -12.375 -15.216 -7.651 1.00 0.00 O ATOM 969 CB ASP A 64 -10.618 -15.441 -10.212 1.00 0.00 C ATOM 970 CG ASP A 64 -10.292 -16.487 -9.163 1.00 0.00 C ATOM 971 OD1 ASP A 64 -11.195 -17.276 -8.812 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.135 -16.517 -8.695 1.00 0.00 O ATOM 0 H ASP A 64 -11.515 -12.855 -10.655 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.765 -15.504 -10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.603 -15.904 -11.199 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.844 -14.674 -10.208 1.00 0.00 H new ATOM 977 N HIS A 65 -11.952 -13.088 -8.249 1.00 0.00 N ATOM 978 CA HIS A 65 -12.059 -12.569 -6.890 1.00 0.00 C ATOM 979 C HIS A 65 -12.448 -11.094 -6.900 1.00 0.00 C ATOM 980 O HIS A 65 -11.628 -10.227 -7.206 1.00 0.00 O ATOM 981 CB HIS A 65 -10.737 -12.755 -6.144 1.00 0.00 C ATOM 982 CG HIS A 65 -10.614 -14.084 -5.465 1.00 0.00 C ATOM 983 ND1 HIS A 65 -11.152 -14.347 -4.223 1.00 0.00 N ATOM 984 CD2 HIS A 65 -10.012 -15.229 -5.863 1.00 0.00 C ATOM 985 CE1 HIS A 65 -10.884 -15.596 -3.885 1.00 0.00 C ATOM 986 NE2 HIS A 65 -10.194 -16.153 -4.863 1.00 0.00 N ATOM 0 H HIS A 65 -11.741 -12.382 -8.955 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.840 -13.129 -6.375 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.913 -12.638 -6.848 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.635 -11.965 -5.400 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.487 -15.387 -6.793 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.179 -16.079 -2.965 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.852 -17.114 -4.874 1.00 0.00 H new ATOM 995 N LEU A 66 -13.703 -10.815 -6.566 1.00 0.00 N ATOM 996 CA LEU A 66 -14.201 -9.444 -6.537 1.00 0.00 C ATOM 997 C LEU A 66 -13.818 -8.753 -5.232 1.00 0.00 C ATOM 998 O LEU A 66 -14.490 -7.819 -4.793 1.00 0.00 O ATOM 999 CB LEU A 66 -15.721 -9.429 -6.709 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.285 -10.367 -7.778 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.741 -10.693 -7.486 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.141 -9.747 -9.160 1.00 0.00 C ATOM 0 H LEU A 66 -14.395 -11.520 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.743 -8.899 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.177 -9.684 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.030 -8.411 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.715 -11.296 -7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.126 -11.361 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.817 -11.179 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.325 -9.773 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.547 -10.428 -9.908 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.686 -8.803 -9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.087 -9.565 -9.369 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.735 -9.216 -4.619 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.263 -8.642 -3.365 1.00 0.00 C ATOM 1016 C TYR A 67 -10.800 -8.224 -3.473 1.00 0.00 C ATOM 1017 O TYR A 67 -10.015 -8.424 -2.547 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.434 -9.647 -2.224 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.699 -10.470 -2.327 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.910 -9.880 -2.664 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.681 -11.839 -2.088 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -16.067 -10.628 -2.759 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.833 -12.595 -2.181 1.00 0.00 C ATOM 1024 CZ TYR A 67 -16.024 -11.985 -2.517 1.00 0.00 C ATOM 1025 OH TYR A 67 -17.174 -12.734 -2.611 1.00 0.00 O ATOM 0 H TYR A 67 -12.167 -9.987 -4.970 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.861 -7.755 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.575 -10.317 -2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.436 -9.110 -1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.948 -8.818 -2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.750 -12.320 -1.825 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.001 -10.153 -3.021 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.802 -13.658 -1.992 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.971 -13.672 -2.411 1.00 0.00 H new ATOM 1035 N SER A 68 -10.441 -7.641 -4.613 1.00 0.00 N ATOM 1036 CA SER A 68 -9.072 -7.196 -4.845 1.00 0.00 C ATOM 1037 C SER A 68 -9.029 -5.699 -5.134 1.00 0.00 C ATOM 1038 O SER A 68 -9.882 -5.167 -5.845 1.00 0.00 O ATOM 1039 CB SER A 68 -8.453 -7.970 -6.011 1.00 0.00 C ATOM 1040 OG SER A 68 -7.258 -7.352 -6.456 1.00 0.00 O ATOM 0 H SER A 68 -11.079 -7.466 -5.389 1.00 0.00 H new ATOM 0 HA SER A 68 -8.495 -7.390 -3.941 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.243 -8.994 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.166 -8.026 -6.834 1.00 0.00 H new ATOM 0 HG SER A 68 -6.728 -7.068 -5.682 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.029 -5.024 -4.577 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.873 -3.587 -4.773 1.00 0.00 C ATOM 1048 C PHE A 69 -6.420 -3.233 -5.075 1.00 0.00 C ATOM 1049 O PHE A 69 -5.500 -3.946 -4.673 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.348 -2.827 -3.532 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.816 -3.390 -2.245 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.461 -4.441 -1.614 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.670 -2.868 -1.666 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.974 -4.960 -0.429 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.178 -3.383 -0.482 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.830 -4.431 0.137 1.00 0.00 C ATOM 0 H PHE A 69 -7.314 -5.449 -3.986 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.484 -3.294 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.044 -1.784 -3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.438 -2.840 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.355 -4.860 -2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.155 -2.049 -2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.487 -5.778 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.284 -2.966 -0.041 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.447 -4.836 1.062 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.222 -2.128 -5.785 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.881 -1.680 -6.143 1.00 0.00 C ATOM 1068 C ARG A 70 -4.766 -0.163 -6.026 1.00 0.00 C ATOM 1069 O ARG A 70 -5.752 0.558 -6.180 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.537 -2.120 -7.567 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.538 -1.648 -8.609 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.128 -0.313 -9.211 1.00 0.00 C ATOM 1073 NE ARG A 70 -5.542 -0.191 -10.606 1.00 0.00 N ATOM 1074 CZ ARG A 70 -6.803 -0.020 -10.987 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -7.769 0.049 -10.081 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -7.100 0.082 -12.276 1.00 0.00 N ATOM 0 H ARG A 70 -6.972 -1.526 -6.124 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.175 -2.135 -5.449 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.549 -1.740 -7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.479 -3.208 -7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.622 -2.394 -9.399 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.523 -1.555 -8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.569 0.497 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.046 -0.202 -9.143 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.823 -0.240 -11.328 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.544 -0.029 -9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.737 0.180 -10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.360 0.029 -12.976 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.069 0.213 -12.567 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.556 0.314 -5.753 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.312 1.744 -5.616 1.00 0.00 C ATOM 1092 C ILE A 71 -2.680 2.318 -6.879 1.00 0.00 C ATOM 1093 O ILE A 71 -2.049 1.597 -7.653 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.397 2.047 -4.415 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.525 0.947 -3.358 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.738 3.404 -3.818 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.642 1.165 -2.149 1.00 0.00 C ATOM 0 H ILE A 71 -2.730 -0.269 -5.622 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.281 2.214 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.364 2.074 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.564 0.886 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.276 -0.012 -3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.083 3.604 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.601 4.178 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.775 3.404 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.785 0.348 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.598 1.196 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.906 2.108 -1.671 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.852 3.620 -7.082 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.296 4.292 -8.251 1.00 0.00 C ATOM 1111 C LEU A 72 -1.731 5.658 -7.876 1.00 0.00 C ATOM 1112 O LEU A 72 -2.158 6.271 -6.897 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.368 4.450 -9.330 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.112 3.175 -9.729 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.532 3.500 -10.165 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.366 2.445 -10.836 1.00 0.00 C ATOM 0 H LEU A 72 -3.372 4.231 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.484 3.678 -8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.099 5.180 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.899 4.867 -10.221 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.162 2.520 -8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.046 2.581 -10.445 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.065 3.977 -9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.504 4.175 -11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.911 1.540 -11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.284 3.093 -11.708 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.369 2.177 -10.487 1.00 0.00 H new ATOM 1128 N HIS A 73 -0.769 6.131 -8.662 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.147 7.427 -8.415 1.00 0.00 C ATOM 1130 C HIS A 73 -0.158 8.285 -9.676 1.00 0.00 C ATOM 1131 O HIS A 73 0.827 8.338 -10.413 1.00 0.00 O ATOM 1132 CB HIS A 73 1.289 7.241 -7.923 1.00 0.00 C ATOM 1133 CG HIS A 73 1.967 8.525 -7.556 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.625 9.318 -8.473 1.00 0.00 N ATOM 1135 CD2 HIS A 73 2.085 9.155 -6.364 1.00 0.00 C ATOM 1136 CE1 HIS A 73 3.120 10.378 -7.860 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.806 10.304 -6.579 1.00 0.00 N ATOM 0 H HIS A 73 -0.403 5.636 -9.475 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.724 7.938 -7.645 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.285 6.581 -7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.869 6.742 -8.700 1.00 0.00 H new ATOM 0 HD1 HIS A 73 2.715 9.117 -9.469 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.686 8.817 -5.419 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.686 11.171 -8.327 1.00 0.00 H new ATOM 1146 N LYS A 74 -1.279 8.955 -9.920 1.00 0.00 N ATOM 1147 CA LYS A 74 -1.420 9.812 -11.091 1.00 0.00 C ATOM 1148 C LYS A 74 -1.611 8.979 -12.355 1.00 0.00 C ATOM 1149 O LYS A 74 -1.159 9.358 -13.434 1.00 0.00 O ATOM 1150 CB LYS A 74 -0.191 10.711 -11.242 1.00 0.00 C ATOM 1151 CG LYS A 74 0.295 11.302 -9.929 1.00 0.00 C ATOM 1152 CD LYS A 74 0.960 12.652 -10.138 1.00 0.00 C ATOM 1153 CE LYS A 74 2.352 12.501 -10.733 1.00 0.00 C ATOM 1154 NZ LYS A 74 2.741 13.690 -11.541 1.00 0.00 N ATOM 0 H LYS A 74 -2.104 8.921 -9.321 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.303 10.435 -10.950 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.617 10.135 -11.693 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.427 11.522 -11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.546 11.412 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.000 10.617 -9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.345 13.263 -10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.025 13.178 -9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.076 12.354 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.385 11.610 -11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.695 13.549 -11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.065 13.816 -12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.735 14.537 -10.938 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.284 7.841 -12.212 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.524 6.973 -13.350 1.00 0.00 C ATOM 1170 C GLY A 75 -1.539 5.823 -13.419 1.00 0.00 C ATOM 1171 O GLY A 75 -1.711 4.898 -14.212 1.00 0.00 O ATOM 0 H GLY A 75 -2.667 7.505 -11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.538 6.576 -13.293 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.461 7.557 -14.268 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.504 5.881 -12.587 1.00 0.00 N ATOM 1176 CA GLU A 76 0.513 4.836 -12.560 1.00 0.00 C ATOM 1177 C GLU A 76 0.198 3.799 -11.486 1.00 0.00 C ATOM 1178 O GLU A 76 -0.460 4.101 -10.491 1.00 0.00 O ATOM 1179 CB GLU A 76 1.894 5.444 -12.308 1.00 0.00 C ATOM 1180 CG GLU A 76 2.634 5.822 -13.581 1.00 0.00 C ATOM 1181 CD GLU A 76 1.991 6.989 -14.305 1.00 0.00 C ATOM 1182 OE1 GLU A 76 1.811 8.052 -13.674 1.00 0.00 O ATOM 1183 OE2 GLU A 76 1.667 6.840 -15.501 1.00 0.00 O ATOM 0 H GLU A 76 -0.348 6.640 -11.923 1.00 0.00 H new ATOM 0 HA GLU A 76 0.514 4.340 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.783 6.332 -11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.498 4.733 -11.744 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.665 6.075 -13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.667 4.960 -14.247 1.00 0.00 H new ATOM 1190 N GLU A 77 0.673 2.575 -11.696 1.00 0.00 N ATOM 1191 CA GLU A 77 0.441 1.493 -10.747 1.00 0.00 C ATOM 1192 C GLU A 77 1.551 1.439 -9.701 1.00 0.00 C ATOM 1193 O GLU A 77 2.737 1.470 -10.035 1.00 0.00 O ATOM 1194 CB GLU A 77 0.351 0.152 -11.479 1.00 0.00 C ATOM 1195 CG GLU A 77 0.243 -1.044 -10.549 1.00 0.00 C ATOM 1196 CD GLU A 77 0.210 -2.363 -11.296 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -0.893 -2.788 -11.699 1.00 0.00 O ATOM 1198 OE2 GLU A 77 1.286 -2.970 -11.476 1.00 0.00 O ATOM 0 H GLU A 77 1.220 2.308 -12.514 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.504 1.686 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.515 0.166 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.232 0.032 -12.110 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.088 -1.042 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.660 -0.950 -9.946 1.00 0.00 H new ATOM 1205 N LEU A 78 1.159 1.361 -8.434 1.00 0.00 N ATOM 1206 CA LEU A 78 2.119 1.304 -7.338 1.00 0.00 C ATOM 1207 C LEU A 78 2.139 -0.083 -6.702 1.00 0.00 C ATOM 1208 O LEU A 78 3.203 -0.658 -6.477 1.00 0.00 O ATOM 1209 CB LEU A 78 1.780 2.356 -6.281 1.00 0.00 C ATOM 1210 CG LEU A 78 1.613 3.789 -6.790 1.00 0.00 C ATOM 1211 CD1 LEU A 78 0.793 4.611 -5.809 1.00 0.00 C ATOM 1212 CD2 LEU A 78 2.971 4.433 -7.025 1.00 0.00 C ATOM 0 H LEU A 78 0.182 1.336 -8.141 1.00 0.00 H new ATOM 0 HA LEU A 78 3.109 1.512 -7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.857 2.058 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.565 2.349 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 78 1.080 3.757 -7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.685 5.627 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.193 4.160 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.298 4.635 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.833 5.452 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.531 4.453 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.524 3.856 -7.767 1.00 0.00 H new ATOM 1224 N ALA A 79 0.954 -0.615 -6.418 1.00 0.00 N ATOM 1225 CA ALA A 79 0.835 -1.936 -5.813 1.00 0.00 C ATOM 1226 C ALA A 79 -0.559 -2.514 -6.028 1.00 0.00 C ATOM 1227 O ALA A 79 -1.445 -1.845 -6.560 1.00 0.00 O ATOM 1228 CB ALA A 79 1.157 -1.866 -4.328 1.00 0.00 C ATOM 0 H ALA A 79 0.063 -0.151 -6.597 1.00 0.00 H new ATOM 0 HA ALA A 79 1.552 -2.598 -6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.064 -2.859 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.176 -1.503 -4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.462 -1.185 -3.837 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.747 -3.762 -5.613 1.00 0.00 N ATOM 1235 CA LYS A 80 -2.034 -4.432 -5.759 1.00 0.00 C ATOM 1236 C LYS A 80 -2.218 -5.497 -4.683 1.00 0.00 C ATOM 1237 O LYS A 80 -1.463 -6.468 -4.620 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.145 -5.069 -7.146 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.490 -5.725 -7.408 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.732 -5.928 -8.894 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.121 -6.487 -9.161 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.128 -5.407 -9.352 1.00 0.00 N ATOM 0 H LYS A 80 -0.024 -4.331 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.820 -3.685 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.969 -4.305 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.358 -5.815 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.532 -6.687 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.285 -5.107 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.614 -4.978 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.981 -6.608 -9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.093 -7.119 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.423 -7.122 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.066 -5.752 -9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.868 -4.584 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.154 -5.130 -10.354 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.226 -5.310 -3.838 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.511 -6.255 -2.765 1.00 0.00 C ATOM 1258 C LEU A 81 -4.861 -6.933 -2.980 1.00 0.00 C ATOM 1259 O LEU A 81 -5.690 -6.453 -3.752 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.497 -5.541 -1.412 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.355 -4.549 -1.190 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.032 -5.147 -1.642 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.632 -3.244 -1.924 1.00 0.00 C ATOM 0 H LEU A 81 -3.860 -4.512 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.735 -7.020 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.441 -5.010 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.455 -6.295 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.287 -4.335 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.231 -4.426 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.828 -6.053 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.087 -5.391 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.809 -2.550 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.728 -3.440 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.558 -2.806 -1.551 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.073 -8.050 -2.291 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.323 -8.793 -2.407 1.00 0.00 C ATOM 1277 C GLU A 82 -6.795 -9.278 -1.039 1.00 0.00 C ATOM 1278 O GLU A 82 -6.046 -9.918 -0.303 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.148 -9.984 -3.351 1.00 0.00 C ATOM 1280 CG GLU A 82 -7.034 -11.169 -3.005 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.798 -12.359 -3.915 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -6.830 -12.176 -5.150 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -6.581 -13.472 -3.393 1.00 0.00 O ATOM 0 H GLU A 82 -4.396 -8.460 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.079 -8.123 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.365 -9.664 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.106 -10.302 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.852 -11.465 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.079 -10.868 -3.071 1.00 0.00 H new ATOM 1290 N ALA A 83 -8.044 -8.968 -0.707 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.618 -9.373 0.570 1.00 0.00 C ATOM 1292 C ALA A 83 -9.152 -10.800 0.503 1.00 0.00 C ATOM 1293 O ALA A 83 -8.980 -11.493 -0.499 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.724 -8.412 0.980 1.00 0.00 C ATOM 0 H ALA A 83 -8.678 -8.438 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.829 -9.343 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.144 -8.727 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.315 -7.406 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.507 -8.414 0.222 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.801 -11.234 1.578 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.362 -12.579 1.643 1.00 0.00 C ATOM 1302 C LYS A 84 -11.838 -12.572 1.257 1.00 0.00 C ATOM 1303 O LYS A 84 -12.313 -13.476 0.571 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.194 -13.156 3.050 1.00 0.00 C ATOM 1305 CG LYS A 84 -11.002 -12.424 4.108 1.00 0.00 C ATOM 1306 CD LYS A 84 -12.385 -13.031 4.273 1.00 0.00 C ATOM 1307 CE LYS A 84 -12.360 -14.232 5.206 1.00 0.00 C ATOM 1308 NZ LYS A 84 -13.707 -14.526 5.768 1.00 0.00 N ATOM 0 H LYS A 84 -9.952 -10.674 2.417 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.822 -13.206 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.489 -14.205 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.139 -13.124 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.473 -12.459 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.095 -11.373 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.069 -12.279 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.769 -13.334 3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.994 -15.105 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.660 -14.045 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.648 -15.351 6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.046 -13.703 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.370 -14.730 4.993 1.00 0.00 H new ATOM 1322 N SER A 85 -12.556 -11.546 1.702 1.00 0.00 N ATOM 1323 CA SER A 85 -13.979 -11.424 1.405 1.00 0.00 C ATOM 1324 C SER A 85 -14.331 -9.992 1.014 1.00 0.00 C ATOM 1325 O SER A 85 -13.518 -9.079 1.161 1.00 0.00 O ATOM 1326 CB SER A 85 -14.813 -11.854 2.614 1.00 0.00 C ATOM 1327 OG SER A 85 -16.172 -11.489 2.451 1.00 0.00 O ATOM 0 H SER A 85 -12.177 -10.788 2.269 1.00 0.00 H new ATOM 0 HA SER A 85 -14.207 -12.079 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.736 -12.933 2.747 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.415 -11.392 3.517 1.00 0.00 H new ATOM 0 HG SER A 85 -16.684 -11.776 3.236 1.00 0.00 H new ATOM 1333 N SER A 86 -15.548 -9.803 0.515 1.00 0.00 N ATOM 1334 CA SER A 86 -16.008 -8.484 0.098 1.00 0.00 C ATOM 1335 C SER A 86 -15.967 -7.501 1.265 1.00 0.00 C ATOM 1336 O SER A 86 -15.577 -6.346 1.103 1.00 0.00 O ATOM 1337 CB SER A 86 -17.428 -8.569 -0.463 1.00 0.00 C ATOM 1338 OG SER A 86 -18.051 -7.296 -0.469 1.00 0.00 O ATOM 0 H SER A 86 -16.234 -10.547 0.390 1.00 0.00 H new ATOM 0 HA SER A 86 -15.339 -8.123 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.399 -8.968 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.018 -9.263 0.135 1.00 0.00 H new ATOM 0 HG SER A 86 -18.957 -7.377 -0.834 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.374 -7.971 2.440 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.385 -7.134 3.634 1.00 0.00 C ATOM 1346 C GLU A 87 -14.969 -6.713 4.017 1.00 0.00 C ATOM 1347 O GLU A 87 -14.747 -5.592 4.474 1.00 0.00 O ATOM 1348 CB GLU A 87 -17.041 -7.877 4.799 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.550 -8.002 4.671 1.00 0.00 C ATOM 1350 CD GLU A 87 -19.259 -6.670 4.818 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.845 -5.868 5.681 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -20.230 -6.429 4.069 1.00 0.00 O ATOM 0 H GLU A 87 -16.700 -8.926 2.590 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.964 -6.238 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.608 -8.874 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.806 -7.358 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.794 -8.434 3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.920 -8.692 5.430 1.00 0.00 H new ATOM 1359 N GLU A 88 -14.017 -7.620 3.827 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.623 -7.344 4.153 1.00 0.00 C ATOM 1361 C GLU A 88 -12.075 -6.214 3.286 1.00 0.00 C ATOM 1362 O GLU A 88 -11.530 -5.235 3.795 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.773 -8.602 3.968 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.290 -8.377 4.213 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.964 -8.182 5.680 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -10.707 -7.446 6.362 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.964 -8.768 6.148 1.00 0.00 O ATOM 0 H GLU A 88 -14.185 -8.552 3.449 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.576 -7.034 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.131 -9.375 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.912 -8.978 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.729 -9.230 3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.962 -7.502 3.652 1.00 0.00 H new ATOM 1374 N MET A 89 -12.222 -6.359 1.973 1.00 0.00 N ATOM 1375 CA MET A 89 -11.743 -5.352 1.034 1.00 0.00 C ATOM 1376 C MET A 89 -12.343 -3.985 1.350 1.00 0.00 C ATOM 1377 O MET A 89 -11.701 -2.954 1.153 1.00 0.00 O ATOM 1378 CB MET A 89 -12.089 -5.755 -0.400 1.00 0.00 C ATOM 1379 CG MET A 89 -13.581 -5.759 -0.687 1.00 0.00 C ATOM 1380 SD MET A 89 -13.953 -5.528 -2.436 1.00 0.00 S ATOM 1381 CE MET A 89 -12.959 -4.085 -2.806 1.00 0.00 C ATOM 0 H MET A 89 -12.669 -7.165 1.535 1.00 0.00 H new ATOM 0 HA MET A 89 -10.660 -5.285 1.133 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.597 -5.070 -1.090 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.687 -6.749 -0.596 1.00 0.00 H new ATOM 0 HG2 MET A 89 -14.009 -6.703 -0.350 1.00 0.00 H new ATOM 0 HG3 MET A 89 -14.060 -4.968 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.469 -3.473 -3.550 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.811 -3.503 -1.897 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.992 -4.400 -3.197 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.579 -3.986 1.840 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.245 -2.740 2.175 1.00 0.00 C ATOM 1393 C GLY A 90 -13.574 -2.014 3.324 1.00 0.00 C ATOM 1394 O GLY A 90 -13.637 -0.787 3.414 1.00 0.00 O ATOM 0 H GLY A 90 -14.131 -4.827 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.259 -2.092 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.283 -2.945 2.436 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.929 -2.772 4.205 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.244 -2.193 5.355 1.00 0.00 C ATOM 1400 C HIS A 91 -10.859 -1.687 4.965 1.00 0.00 C ATOM 1401 O HIS A 91 -10.330 -0.761 5.579 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.126 -3.225 6.478 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.116 -2.860 7.522 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.413 -2.073 8.614 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.806 -3.182 7.637 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.329 -1.924 9.355 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.340 -2.588 8.784 1.00 0.00 N ATOM 0 H HIS A 91 -12.866 -3.788 4.145 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.833 -1.347 5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.100 -3.346 6.953 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.859 -4.190 6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.234 -3.792 6.954 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.263 -1.356 10.271 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.385 -2.649 9.138 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.278 -2.301 3.941 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.953 -1.913 3.469 1.00 0.00 C ATOM 1418 C TRP A 92 -9.041 -0.727 2.516 1.00 0.00 C ATOM 1419 O TRP A 92 -8.237 0.203 2.590 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.272 -3.093 2.773 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.560 -4.011 3.721 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -8.029 -5.189 4.227 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.254 -3.824 4.277 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.093 -5.747 5.064 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.995 -4.929 5.111 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.278 -2.833 4.150 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.801 -5.067 5.813 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.093 -2.971 4.848 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.863 -4.081 5.671 1.00 0.00 C ATOM 0 H TRP A 92 -10.703 -3.069 3.421 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.358 -1.617 4.333 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.021 -3.662 2.221 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.558 -2.712 2.042 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.994 -5.619 4.002 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.199 -6.627 5.568 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.446 -1.974 3.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.621 -5.922 6.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.332 -2.210 4.757 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.927 -4.160 6.204 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.022 -0.764 1.620 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.214 0.310 0.651 1.00 0.00 C ATOM 1442 C LEU A 93 -10.255 1.668 1.345 1.00 0.00 C ATOM 1443 O LEU A 93 -9.383 2.510 1.134 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.507 0.087 -0.136 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.407 -0.850 -1.340 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.753 -0.968 -2.037 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.342 -0.359 -2.310 1.00 0.00 C ATOM 0 H LEU A 93 -10.696 -1.526 1.544 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.370 0.300 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.260 -0.309 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -11.869 1.055 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.118 -1.839 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.663 -1.639 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.490 -1.366 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.072 0.016 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.284 -1.038 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.601 0.640 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.377 -0.327 -1.805 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.273 1.873 2.175 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.408 3.129 2.889 1.00 0.00 C ATOM 1461 C GLY A 94 -10.251 3.385 3.834 1.00 0.00 C ATOM 1462 O GLY A 94 -9.864 4.533 4.057 1.00 0.00 O ATOM 0 H GLY A 94 -12.007 1.191 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.474 3.946 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.340 3.124 3.454 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.698 2.315 4.394 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.579 2.429 5.323 1.00 0.00 C ATOM 1468 C LEU A 95 -7.367 3.054 4.641 1.00 0.00 C ATOM 1469 O LEU A 95 -6.771 4.002 5.156 1.00 0.00 O ATOM 1470 CB LEU A 95 -8.212 1.053 5.881 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.830 0.937 6.524 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.906 1.244 8.012 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -6.248 -0.451 6.293 1.00 0.00 C ATOM 0 H LEU A 95 -10.006 1.358 4.221 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.885 3.077 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.960 0.772 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.276 0.326 5.072 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.171 1.668 6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.913 1.156 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.279 2.258 8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.581 0.538 8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.264 -0.515 6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.907 -1.200 6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.156 -0.633 5.222 1.00 0.00 H new ATOM 1485 N LEU A 96 -7.007 2.520 3.479 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.867 3.027 2.724 1.00 0.00 C ATOM 1487 C LEU A 96 -6.149 4.425 2.184 1.00 0.00 C ATOM 1488 O LEU A 96 -5.302 5.316 2.263 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.532 2.080 1.570 1.00 0.00 C ATOM 1490 CG LEU A 96 -5.134 0.657 1.964 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.447 -0.316 0.837 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.658 0.597 2.328 1.00 0.00 C ATOM 0 H LEU A 96 -7.488 1.736 3.039 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.013 3.084 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.397 2.024 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.717 2.517 0.992 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.715 0.367 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.157 -1.324 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.516 -0.294 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.893 -0.028 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.393 -0.423 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.059 0.907 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.463 1.264 3.168 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.346 4.611 1.637 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.742 5.902 1.085 1.00 0.00 C ATOM 1506 C LEU A 97 -7.563 7.013 2.115 1.00 0.00 C ATOM 1507 O LEU A 97 -6.871 8.000 1.865 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.198 5.854 0.617 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.456 5.119 -0.698 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -10.940 4.834 -0.867 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -8.929 5.929 -1.874 1.00 0.00 C ATOM 0 H LEU A 97 -8.058 3.885 1.564 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.099 6.117 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.794 5.381 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.560 6.877 0.515 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.925 4.168 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.105 4.310 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.288 4.214 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.493 5.774 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.121 5.391 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.432 6.896 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.856 6.082 -1.759 1.00 0.00 H new ATOM 1523 N SER A 98 -8.190 6.844 3.275 1.00 0.00 N ATOM 1524 CA SER A 98 -8.102 7.833 4.343 1.00 0.00 C ATOM 1525 C SER A 98 -6.653 8.247 4.581 1.00 0.00 C ATOM 1526 O SER A 98 -6.363 9.418 4.822 1.00 0.00 O ATOM 1527 CB SER A 98 -8.703 7.275 5.634 1.00 0.00 C ATOM 1528 OG SER A 98 -9.016 8.316 6.543 1.00 0.00 O ATOM 0 H SER A 98 -8.764 6.031 3.499 1.00 0.00 H new ATOM 0 HA SER A 98 -8.668 8.713 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.604 6.706 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.999 6.583 6.097 1.00 0.00 H new ATOM 0 HG SER A 98 -9.400 7.933 7.359 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.747 7.276 4.511 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.328 7.540 4.720 1.00 0.00 C ATOM 1536 C GLU A 99 -3.747 8.341 3.559 1.00 0.00 C ATOM 1537 O GLU A 99 -3.262 9.457 3.742 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.561 6.226 4.882 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.982 5.422 6.101 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.595 6.093 7.404 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -2.388 6.114 7.725 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -4.499 6.596 8.104 1.00 0.00 O ATOM 0 H GLU A 99 -5.970 6.301 4.311 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.224 8.128 5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.705 5.618 3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.495 6.443 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.062 5.275 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.524 4.434 6.056 1.00 0.00 H new ATOM 1549 N SER A 100 -3.799 7.762 2.363 1.00 0.00 N ATOM 1550 CA SER A 100 -3.274 8.419 1.172 1.00 0.00 C ATOM 1551 C SER A 100 -3.756 9.864 1.092 1.00 0.00 C ATOM 1552 O SER A 100 -2.957 10.799 1.122 1.00 0.00 O ATOM 1553 CB SER A 100 -3.699 7.657 -0.085 1.00 0.00 C ATOM 1554 OG SER A 100 -5.106 7.494 -0.131 1.00 0.00 O ATOM 0 H SER A 100 -4.199 6.839 2.194 1.00 0.00 H new ATOM 0 HA SER A 100 -2.186 8.420 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.363 8.195 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.216 6.680 -0.103 1.00 0.00 H new ATOM 0 HG SER A 100 -5.503 7.840 0.696 1.00 0.00 H new