USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 729 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 14 HIS : no HD1:sc= -0.646 X(o=-0.65,f=-1) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.12 K(o=-0.12,f=0.98) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0416 X(o=-0.042,f=-0.5) USER MOD Single : A 23 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.31) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc=-0.00968 (180deg=-0.258) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 0:sc= -1.06 USER MOD Single : A 57 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.63) USER MOD Single : A 59 GLN : amide:sc= -2.97 K(o=-3,f=-12!) USER MOD Single : A 63 ASN : amide:sc= -2.38 K(o=-2.4,f=-3.6) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -4.24 K(o=-4.2,f=-8.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 71 ASN : amide:sc= -0.0451 X(o=-0.045,f=-0.41) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= -0.292 (180deg=-0.441) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.593 USER MOD Single : A 82 HIS : no HD1:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.652 K(o=-0.65,f=-2.9!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.82 K(o=-1.8,f=-3.2!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 76:sc= 0.446 USER MOD Single : A 98 SER OG : rot -18:sc= 0.134! USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.88) USER MOD Single : A 105 MET CE :methyl 165:sc= -1.75 (180deg=-2.67) USER MOD Single : A 107 CYS SG : rot 35:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.228 -3.812 1.498 1.00 42.33 N ATOM 148 CA GLN A 12 15.271 -2.605 2.315 1.00 54.22 C ATOM 149 C GLN A 12 13.901 -1.937 2.370 1.00 13.35 C ATOM 150 O GLN A 12 13.075 -2.082 1.469 1.00 71.20 O ATOM 151 CB GLN A 12 16.307 -1.625 1.761 1.00 32.04 C ATOM 152 CG GLN A 12 17.584 -2.296 1.284 1.00 65.21 C ATOM 153 CD GLN A 12 17.615 -2.490 -0.219 1.00 42.03 C ATOM 154 OE1 GLN A 12 16.645 -2.956 -0.817 1.00 33.12 O ATOM 155 NE2 GLN A 12 18.733 -2.132 -0.840 1.00 23.01 N ATOM 0 HA GLN A 12 15.557 -2.891 3.327 1.00 54.22 H new ATOM 0 HB2 GLN A 12 15.865 -1.072 0.932 1.00 32.04 H new ATOM 0 HB3 GLN A 12 16.555 -0.897 2.533 1.00 32.04 H new ATOM 0 HG2 GLN A 12 18.441 -1.694 1.587 1.00 65.21 H new ATOM 0 HG3 GLN A 12 17.686 -3.264 1.774 1.00 65.21 H new ATOM 0 HE21 GLN A 12 19.513 -1.750 -0.306 1.00 23.01 H new ATOM 0 HE22 GLN A 12 18.811 -2.239 -1.851 1.00 23.01 H new ATOM 164 N PRO A 13 13.651 -1.186 3.454 1.00 64.31 N ATOM 165 CA PRO A 13 12.382 -0.481 3.653 1.00 0.31 C ATOM 166 C PRO A 13 12.209 0.685 2.685 1.00 34.22 C ATOM 167 O PRO A 13 13.183 1.321 2.283 1.00 62.14 O ATOM 168 CB PRO A 13 12.482 0.030 5.093 1.00 42.14 C ATOM 169 CG PRO A 13 13.945 0.138 5.355 1.00 14.13 C ATOM 170 CD PRO A 13 14.590 -0.969 4.568 1.00 53.53 C ATOM 0 HA PRO A 13 11.524 -1.129 3.475 1.00 0.31 H new ATOM 0 HB2 PRO A 13 11.987 0.995 5.206 1.00 42.14 H new ATOM 0 HB3 PRO A 13 12.004 -0.657 5.791 1.00 42.14 H new ATOM 0 HG2 PRO A 13 14.326 1.111 5.044 1.00 14.13 H new ATOM 0 HG3 PRO A 13 14.159 0.036 6.419 1.00 14.13 H new ATOM 0 HD2 PRO A 13 15.579 -0.684 4.210 1.00 53.53 H new ATOM 0 HD3 PRO A 13 14.715 -1.869 5.169 1.00 53.53 H new ATOM 178 N HIS A 14 10.962 0.960 2.315 1.00 11.42 N ATOM 179 CA HIS A 14 10.661 2.051 1.395 1.00 41.13 C ATOM 180 C HIS A 14 9.441 2.838 1.864 1.00 31.53 C ATOM 181 O HIS A 14 8.830 2.508 2.882 1.00 44.15 O ATOM 182 CB HIS A 14 10.420 1.506 -0.013 1.00 42.45 C ATOM 183 CG HIS A 14 11.621 0.841 -0.612 1.00 22.01 C ATOM 184 ND1 HIS A 14 11.862 -0.513 -0.507 1.00 2.43 N ATOM 185 CD2 HIS A 14 12.651 1.351 -1.327 1.00 25.43 C ATOM 186 CE1 HIS A 14 12.990 -0.807 -1.129 1.00 54.44 C ATOM 187 NE2 HIS A 14 13.488 0.307 -1.636 1.00 62.31 N ATOM 0 H HIS A 14 10.144 0.443 2.638 1.00 11.42 H new ATOM 0 HA HIS A 14 11.519 2.723 1.375 1.00 41.13 H new ATOM 0 HB2 HIS A 14 9.597 0.791 0.019 1.00 42.45 H new ATOM 0 HB3 HIS A 14 10.107 2.324 -0.662 1.00 42.45 H new ATOM 0 HD2 HIS A 14 12.789 2.386 -1.603 1.00 25.43 H new ATOM 0 HE1 HIS A 14 13.430 -1.790 -1.209 1.00 54.44 H new ATOM 0 HE2 HIS A 14 14.354 0.380 -2.170 1.00 62.31 H new ATOM 195 N LYS A 15 9.091 3.879 1.117 1.00 11.13 N ATOM 196 CA LYS A 15 7.944 4.713 1.456 1.00 53.03 C ATOM 197 C LYS A 15 6.759 4.404 0.546 1.00 61.11 C ATOM 198 O LYS A 15 5.822 5.195 0.442 1.00 74.04 O ATOM 199 CB LYS A 15 8.313 6.194 1.344 1.00 21.14 C ATOM 200 CG LYS A 15 9.014 6.550 0.045 1.00 61.12 C ATOM 201 CD LYS A 15 10.455 6.969 0.285 1.00 72.11 C ATOM 202 CE LYS A 15 11.016 7.740 -0.900 1.00 60.32 C ATOM 203 NZ LYS A 15 11.992 8.780 -0.473 1.00 50.21 N ATOM 0 H LYS A 15 9.585 4.166 0.272 1.00 11.13 H new ATOM 0 HA LYS A 15 7.658 4.493 2.484 1.00 53.03 H new ATOM 0 HB2 LYS A 15 7.407 6.793 1.434 1.00 21.14 H new ATOM 0 HB3 LYS A 15 8.958 6.463 2.181 1.00 21.14 H new ATOM 0 HG2 LYS A 15 8.991 5.693 -0.629 1.00 61.12 H new ATOM 0 HG3 LYS A 15 8.477 7.359 -0.450 1.00 61.12 H new ATOM 0 HD2 LYS A 15 10.511 7.586 1.182 1.00 72.11 H new ATOM 0 HD3 LYS A 15 11.066 6.085 0.468 1.00 72.11 H new ATOM 0 HE2 LYS A 15 11.501 7.047 -1.587 1.00 60.32 H new ATOM 0 HE3 LYS A 15 10.199 8.211 -1.446 1.00 60.32 H new ATOM 0 HZ1 LYS A 15 12.351 9.283 -1.309 1.00 50.21 H new ATOM 0 HZ2 LYS A 15 11.523 9.456 0.163 1.00 50.21 H new ATOM 0 HZ3 LYS A 15 12.785 8.328 0.026 1.00 50.21 H new ATOM 217 N ARG A 16 6.808 3.249 -0.109 1.00 74.42 N ATOM 218 CA ARG A 16 5.738 2.835 -1.010 1.00 0.43 C ATOM 219 C ARG A 16 5.441 1.347 -0.854 1.00 31.10 C ATOM 220 O ARG A 16 6.331 0.508 -0.996 1.00 53.23 O ATOM 221 CB ARG A 16 6.117 3.142 -2.460 1.00 35.11 C ATOM 222 CG ARG A 16 6.455 4.603 -2.705 1.00 42.22 C ATOM 223 CD ARG A 16 7.087 4.807 -4.073 1.00 72.44 C ATOM 224 NE ARG A 16 7.241 6.222 -4.400 1.00 70.42 N ATOM 225 CZ ARG A 16 6.252 6.983 -4.855 1.00 70.34 C ATOM 226 NH1 ARG A 16 5.044 6.467 -5.036 1.00 52.42 N ATOM 227 NH2 ARG A 16 6.470 8.262 -5.130 1.00 45.33 N ATOM 0 H ARG A 16 7.577 2.583 -0.033 1.00 74.42 H new ATOM 0 HA ARG A 16 4.840 3.396 -0.750 1.00 0.43 H new ATOM 0 HB2 ARG A 16 6.973 2.528 -2.741 1.00 35.11 H new ATOM 0 HB3 ARG A 16 5.291 2.855 -3.111 1.00 35.11 H new ATOM 0 HG2 ARG A 16 5.550 5.205 -2.628 1.00 42.22 H new ATOM 0 HG3 ARG A 16 7.138 4.954 -1.931 1.00 42.22 H new ATOM 0 HD2 ARG A 16 8.062 4.321 -4.098 1.00 72.44 H new ATOM 0 HD3 ARG A 16 6.471 4.325 -4.832 1.00 72.44 H new ATOM 0 HE ARG A 16 8.158 6.649 -4.272 1.00 70.42 H new ATOM 0 HH11 ARG A 16 4.873 5.484 -4.826 1.00 52.42 H new ATOM 0 HH12 ARG A 16 4.286 7.053 -5.385 1.00 52.42 H new ATOM 0 HH21 ARG A 16 7.398 8.662 -4.992 1.00 45.33 H new ATOM 0 HH22 ARG A 16 5.710 8.845 -5.479 1.00 45.33 H new ATOM 241 N TRP A 17 4.186 1.027 -0.561 1.00 13.32 N ATOM 242 CA TRP A 17 3.772 -0.360 -0.385 1.00 74.21 C ATOM 243 C TRP A 17 2.330 -0.560 -0.840 1.00 42.14 C ATOM 244 O TRP A 17 1.453 0.246 -0.530 1.00 4.45 O ATOM 245 CB TRP A 17 3.919 -0.777 1.079 1.00 3.52 C ATOM 246 CG TRP A 17 5.344 -0.979 1.498 1.00 11.25 C ATOM 247 CD1 TRP A 17 6.142 -0.082 2.150 1.00 34.24 C ATOM 248 CD2 TRP A 17 6.140 -2.151 1.293 1.00 74.13 C ATOM 249 NE1 TRP A 17 7.385 -0.627 2.362 1.00 3.43 N ATOM 250 CE2 TRP A 17 7.409 -1.895 1.846 1.00 24.23 C ATOM 251 CE3 TRP A 17 5.903 -3.393 0.697 1.00 54.43 C ATOM 252 CZ2 TRP A 17 8.436 -2.835 1.819 1.00 21.20 C ATOM 253 CZ3 TRP A 17 6.923 -4.324 0.670 1.00 33.42 C ATOM 254 CH2 TRP A 17 8.176 -4.042 1.229 1.00 24.31 C ATOM 0 H TRP A 17 3.437 1.709 -0.440 1.00 13.32 H new ATOM 0 HA TRP A 17 4.418 -0.986 -1.000 1.00 74.21 H new ATOM 0 HB2 TRP A 17 3.465 -0.016 1.714 1.00 3.52 H new ATOM 0 HB3 TRP A 17 3.365 -1.701 1.244 1.00 3.52 H new ATOM 0 HD1 TRP A 17 5.840 0.909 2.454 1.00 34.24 H new ATOM 0 HE1 TRP A 17 8.164 -0.162 2.828 1.00 3.43 H new ATOM 0 HE3 TRP A 17 4.940 -3.621 0.265 1.00 54.43 H new ATOM 0 HZ2 TRP A 17 9.403 -2.619 2.248 1.00 21.20 H new ATOM 0 HZ3 TRP A 17 6.751 -5.286 0.210 1.00 33.42 H new ATOM 0 HH2 TRP A 17 8.952 -4.792 1.194 1.00 24.31 H new ATOM 265 N VAL A 18 2.091 -1.639 -1.579 1.00 23.35 N ATOM 266 CA VAL A 18 0.755 -1.945 -2.075 1.00 61.24 C ATOM 267 C VAL A 18 0.172 -3.165 -1.370 1.00 45.22 C ATOM 268 O VAL A 18 0.901 -3.957 -0.773 1.00 64.43 O ATOM 269 CB VAL A 18 0.766 -2.201 -3.594 1.00 50.43 C ATOM 270 CG1 VAL A 18 1.293 -0.982 -4.337 1.00 72.30 C ATOM 271 CG2 VAL A 18 1.595 -3.434 -3.921 1.00 14.12 C ATOM 0 H VAL A 18 2.806 -2.316 -1.847 1.00 23.35 H new ATOM 0 HA VAL A 18 0.133 -1.075 -1.864 1.00 61.24 H new ATOM 0 HB VAL A 18 -0.258 -2.383 -3.922 1.00 50.43 H new ATOM 0 HG11 VAL A 18 1.294 -1.181 -5.409 1.00 72.30 H new ATOM 0 HG12 VAL A 18 0.654 -0.124 -4.128 1.00 72.30 H new ATOM 0 HG13 VAL A 18 2.309 -0.766 -4.008 1.00 72.30 H new ATOM 0 HG21 VAL A 18 1.592 -3.600 -4.998 1.00 14.12 H new ATOM 0 HG22 VAL A 18 2.619 -3.285 -3.580 1.00 14.12 H new ATOM 0 HG23 VAL A 18 1.169 -4.303 -3.419 1.00 14.12 H new ATOM 281 N PHE A 19 -1.147 -3.310 -1.443 1.00 45.42 N ATOM 282 CA PHE A 19 -1.828 -4.433 -0.811 1.00 74.12 C ATOM 283 C PHE A 19 -2.851 -5.052 -1.760 1.00 13.44 C ATOM 284 O PHE A 19 -3.489 -4.352 -2.547 1.00 41.50 O ATOM 285 CB PHE A 19 -2.519 -3.979 0.476 1.00 12.13 C ATOM 286 CG PHE A 19 -3.370 -2.754 0.300 1.00 53.00 C ATOM 287 CD1 PHE A 19 -2.803 -1.490 0.330 1.00 35.15 C ATOM 288 CD2 PHE A 19 -4.737 -2.866 0.104 1.00 34.53 C ATOM 289 CE1 PHE A 19 -3.584 -0.361 0.168 1.00 2.22 C ATOM 290 CE2 PHE A 19 -5.523 -1.741 -0.059 1.00 4.10 C ATOM 291 CZ PHE A 19 -4.945 -0.487 -0.026 1.00 13.52 C ATOM 0 H PHE A 19 -1.765 -2.664 -1.934 1.00 45.42 H new ATOM 0 HA PHE A 19 -1.081 -5.188 -0.567 1.00 74.12 H new ATOM 0 HB2 PHE A 19 -3.140 -4.792 0.852 1.00 12.13 H new ATOM 0 HB3 PHE A 19 -1.762 -3.780 1.234 1.00 12.13 H new ATOM 0 HD1 PHE A 19 -1.739 -1.386 0.482 1.00 35.15 H new ATOM 0 HD2 PHE A 19 -5.194 -3.844 0.078 1.00 34.53 H new ATOM 0 HE1 PHE A 19 -3.130 0.619 0.193 1.00 2.22 H new ATOM 0 HE2 PHE A 19 -6.587 -1.842 -0.212 1.00 4.10 H new ATOM 0 HZ PHE A 19 -5.557 0.394 -0.152 1.00 13.52 H new ATOM 301 N THR A 20 -3.003 -6.370 -1.679 1.00 62.01 N ATOM 302 CA THR A 20 -3.946 -7.084 -2.530 1.00 61.41 C ATOM 303 C THR A 20 -4.503 -8.314 -1.822 1.00 51.00 C ATOM 304 O THR A 20 -3.750 -9.140 -1.306 1.00 23.45 O ATOM 305 CB THR A 20 -3.289 -7.521 -3.853 1.00 71.51 C ATOM 306 OG1 THR A 20 -1.937 -7.930 -3.617 1.00 50.13 O ATOM 307 CG2 THR A 20 -3.312 -6.389 -4.869 1.00 34.22 C ATOM 0 H THR A 20 -2.485 -6.965 -1.032 1.00 62.01 H new ATOM 0 HA THR A 20 -4.761 -6.393 -2.748 1.00 61.41 H new ATOM 0 HB THR A 20 -3.857 -8.360 -4.255 1.00 71.51 H new ATOM 0 HG1 THR A 20 -1.527 -8.208 -4.463 1.00 50.13 H new ATOM 0 HG21 THR A 20 -2.843 -6.721 -5.795 1.00 34.22 H new ATOM 0 HG22 THR A 20 -4.344 -6.100 -5.069 1.00 34.22 H new ATOM 0 HG23 THR A 20 -2.766 -5.533 -4.472 1.00 34.22 H new ATOM 315 N LEU A 21 -5.826 -8.430 -1.802 1.00 32.24 N ATOM 316 CA LEU A 21 -6.485 -9.561 -1.157 1.00 12.21 C ATOM 317 C LEU A 21 -7.682 -10.033 -1.976 1.00 63.44 C ATOM 318 O LEU A 21 -8.462 -9.225 -2.477 1.00 44.44 O ATOM 319 CB LEU A 21 -6.938 -9.176 0.253 1.00 61.52 C ATOM 320 CG LEU A 21 -7.564 -10.296 1.085 1.00 14.21 C ATOM 321 CD1 LEU A 21 -6.547 -10.871 2.058 1.00 10.12 C ATOM 322 CD2 LEU A 21 -8.789 -9.785 1.831 1.00 44.24 C ATOM 0 H LEU A 21 -6.464 -7.755 -2.225 1.00 32.24 H new ATOM 0 HA LEU A 21 -5.767 -10.379 -1.091 1.00 12.21 H new ATOM 0 HB2 LEU A 21 -6.077 -8.785 0.796 1.00 61.52 H new ATOM 0 HB3 LEU A 21 -7.660 -8.363 0.172 1.00 61.52 H new ATOM 0 HG LEU A 21 -7.880 -11.091 0.410 1.00 14.21 H new ATOM 0 HD11 LEU A 21 -7.011 -11.667 2.641 1.00 10.12 H new ATOM 0 HD12 LEU A 21 -5.700 -11.274 1.503 1.00 10.12 H new ATOM 0 HD13 LEU A 21 -6.200 -10.085 2.728 1.00 10.12 H new ATOM 0 HD21 LEU A 21 -9.222 -10.595 2.418 1.00 44.24 H new ATOM 0 HD22 LEU A 21 -8.497 -8.971 2.495 1.00 44.24 H new ATOM 0 HD23 LEU A 21 -9.526 -9.422 1.115 1.00 44.24 H new ATOM 334 N ASN A 22 -7.821 -11.349 -2.107 1.00 2.23 N ATOM 335 CA ASN A 22 -8.924 -11.929 -2.864 1.00 64.40 C ATOM 336 C ASN A 22 -10.170 -12.064 -1.994 1.00 43.30 C ATOM 337 O ASN A 22 -10.100 -12.538 -0.861 1.00 42.11 O ATOM 338 CB ASN A 22 -8.524 -13.299 -3.417 1.00 54.24 C ATOM 339 CG ASN A 22 -8.212 -14.297 -2.320 1.00 23.33 C ATOM 340 OD1 ASN A 22 -7.095 -14.338 -1.802 1.00 74.31 O ATOM 341 ND2 ASN A 22 -9.199 -15.109 -1.959 1.00 51.15 N ATOM 0 H ASN A 22 -7.184 -12.033 -1.699 1.00 2.23 H new ATOM 0 HA ASN A 22 -9.153 -11.261 -3.694 1.00 64.40 H new ATOM 0 HB2 ASN A 22 -9.331 -13.687 -4.038 1.00 54.24 H new ATOM 0 HB3 ASN A 22 -7.652 -13.187 -4.061 1.00 54.24 H new ATOM 0 HD21 ASN A 22 -9.047 -15.801 -1.226 1.00 51.15 H new ATOM 0 HD22 ASN A 22 -10.109 -15.040 -2.415 1.00 51.15 H new ATOM 348 N ASN A 23 -11.309 -11.643 -2.533 1.00 53.03 N ATOM 349 CA ASN A 23 -12.572 -11.716 -1.806 1.00 64.25 C ATOM 350 C ASN A 23 -12.443 -11.078 -0.427 1.00 24.45 C ATOM 351 O ASN A 23 -12.516 -11.748 0.604 1.00 75.42 O ATOM 352 CB ASN A 23 -13.021 -13.172 -1.668 1.00 25.33 C ATOM 353 CG ASN A 23 -14.312 -13.307 -0.885 1.00 54.11 C ATOM 354 OD1 ASN A 23 -14.429 -14.153 0.002 1.00 5.40 O ATOM 355 ND2 ASN A 23 -15.291 -12.471 -1.211 1.00 75.12 N ATOM 0 H ASN A 23 -11.384 -11.248 -3.470 1.00 53.03 H new ATOM 0 HA ASN A 23 -13.322 -11.164 -2.373 1.00 64.25 H new ATOM 0 HB2 ASN A 23 -13.154 -13.604 -2.660 1.00 25.33 H new ATOM 0 HB3 ASN A 23 -12.237 -13.746 -1.173 1.00 25.33 H new ATOM 0 HD21 ASN A 23 -16.184 -12.515 -0.719 1.00 75.12 H new ATOM 0 HD22 ASN A 23 -15.150 -11.785 -1.953 1.00 75.12 H new ATOM 362 N PRO A 24 -12.246 -9.752 -0.404 1.00 5.21 N ATOM 363 CA PRO A 24 -12.103 -8.994 0.843 1.00 52.12 C ATOM 364 C PRO A 24 -13.410 -8.912 1.624 1.00 54.33 C ATOM 365 O PRO A 24 -14.492 -8.866 1.038 1.00 13.14 O ATOM 366 CB PRO A 24 -11.677 -7.603 0.366 1.00 71.23 C ATOM 367 CG PRO A 24 -12.208 -7.500 -1.023 1.00 3.15 C ATOM 368 CD PRO A 24 -12.147 -8.890 -1.594 1.00 11.45 C ATOM 0 HA PRO A 24 -11.393 -9.462 1.525 1.00 52.12 H new ATOM 0 HB2 PRO A 24 -12.088 -6.822 1.006 1.00 71.23 H new ATOM 0 HB3 PRO A 24 -10.593 -7.493 0.385 1.00 71.23 H new ATOM 0 HG2 PRO A 24 -13.231 -7.123 -1.023 1.00 3.15 H new ATOM 0 HG3 PRO A 24 -11.613 -6.807 -1.618 1.00 3.15 H new ATOM 0 HD2 PRO A 24 -12.963 -9.074 -2.292 1.00 11.45 H new ATOM 0 HD3 PRO A 24 -11.218 -9.061 -2.138 1.00 11.45 H new ATOM 376 N SER A 25 -13.303 -8.893 2.948 1.00 22.14 N ATOM 377 CA SER A 25 -14.477 -8.820 3.810 1.00 52.33 C ATOM 378 C SER A 25 -14.815 -7.370 4.146 1.00 63.32 C ATOM 379 O SER A 25 -13.983 -6.477 3.990 1.00 54.44 O ATOM 380 CB SER A 25 -14.242 -9.612 5.097 1.00 21.20 C ATOM 381 OG SER A 25 -15.036 -10.786 5.126 1.00 50.51 O ATOM 0 H SER A 25 -12.415 -8.927 3.448 1.00 22.14 H new ATOM 0 HA SER A 25 -15.319 -9.256 3.273 1.00 52.33 H new ATOM 0 HB2 SER A 25 -13.188 -9.880 5.176 1.00 21.20 H new ATOM 0 HB3 SER A 25 -14.478 -8.989 5.959 1.00 21.20 H new ATOM 0 HG SER A 25 -14.866 -11.275 5.958 1.00 50.51 H new ATOM 387 N GLU A 26 -16.041 -7.147 4.608 1.00 1.31 N ATOM 388 CA GLU A 26 -16.489 -5.806 4.966 1.00 40.14 C ATOM 389 C GLU A 26 -15.647 -5.236 6.104 1.00 34.40 C ATOM 390 O GLU A 26 -15.458 -4.024 6.204 1.00 52.00 O ATOM 391 CB GLU A 26 -17.965 -5.828 5.369 1.00 23.03 C ATOM 392 CG GLU A 26 -18.870 -5.076 4.409 1.00 40.44 C ATOM 393 CD GLU A 26 -20.078 -4.472 5.097 1.00 13.44 C ATOM 394 OE1 GLU A 26 -20.445 -4.960 6.187 1.00 2.20 O ATOM 395 OE2 GLU A 26 -20.657 -3.512 4.548 1.00 52.35 O ATOM 0 H GLU A 26 -16.741 -7.876 4.743 1.00 1.31 H new ATOM 0 HA GLU A 26 -16.368 -5.165 4.093 1.00 40.14 H new ATOM 0 HB2 GLU A 26 -18.299 -6.863 5.434 1.00 23.03 H new ATOM 0 HB3 GLU A 26 -18.067 -5.396 6.365 1.00 23.03 H new ATOM 0 HG2 GLU A 26 -18.300 -4.284 3.923 1.00 40.44 H new ATOM 0 HG3 GLU A 26 -19.205 -5.755 3.625 1.00 40.44 H new ATOM 402 N ASP A 27 -15.146 -6.120 6.960 1.00 45.22 N ATOM 403 CA ASP A 27 -14.324 -5.706 8.091 1.00 23.53 C ATOM 404 C ASP A 27 -12.907 -5.366 7.638 1.00 13.35 C ATOM 405 O ASP A 27 -12.328 -4.373 8.077 1.00 24.15 O ATOM 406 CB ASP A 27 -14.282 -6.810 9.149 1.00 35.23 C ATOM 407 CG ASP A 27 -14.823 -6.349 10.489 1.00 42.14 C ATOM 408 OD1 ASP A 27 -14.092 -5.639 11.210 1.00 24.22 O ATOM 409 OD2 ASP A 27 -15.977 -6.698 10.816 1.00 65.34 O ATOM 0 H ASP A 27 -15.295 -7.127 6.892 1.00 45.22 H new ATOM 0 HA ASP A 27 -14.772 -4.812 8.526 1.00 23.53 H new ATOM 0 HB2 ASP A 27 -14.862 -7.665 8.801 1.00 35.23 H new ATOM 0 HB3 ASP A 27 -13.254 -7.151 9.273 1.00 35.23 H new ATOM 414 N GLU A 28 -12.357 -6.197 6.759 1.00 44.41 N ATOM 415 CA GLU A 28 -11.007 -5.983 6.249 1.00 73.42 C ATOM 416 C GLU A 28 -10.916 -4.664 5.487 1.00 23.14 C ATOM 417 O GLU A 28 -10.012 -3.861 5.722 1.00 72.41 O ATOM 418 CB GLU A 28 -10.594 -7.141 5.337 1.00 0.32 C ATOM 419 CG GLU A 28 -9.322 -7.843 5.783 1.00 14.43 C ATOM 420 CD GLU A 28 -9.454 -9.353 5.769 1.00 32.23 C ATOM 421 OE1 GLU A 28 -9.919 -9.899 4.747 1.00 34.33 O ATOM 422 OE2 GLU A 28 -9.091 -9.989 6.781 1.00 34.12 O ATOM 0 H GLU A 28 -12.824 -7.023 6.385 1.00 44.41 H new ATOM 0 HA GLU A 28 -10.327 -5.939 7.100 1.00 73.42 H new ATOM 0 HB2 GLU A 28 -11.405 -7.868 5.297 1.00 0.32 H new ATOM 0 HB3 GLU A 28 -10.454 -6.763 4.324 1.00 0.32 H new ATOM 0 HG2 GLU A 28 -8.500 -7.548 5.130 1.00 14.43 H new ATOM 0 HG3 GLU A 28 -9.064 -7.514 6.789 1.00 14.43 H new ATOM 429 N ARG A 29 -11.857 -4.448 4.575 1.00 50.15 N ATOM 430 CA ARG A 29 -11.882 -3.228 3.777 1.00 11.31 C ATOM 431 C ARG A 29 -12.151 -2.009 4.656 1.00 61.53 C ATOM 432 O ARG A 29 -11.681 -0.908 4.369 1.00 13.15 O ATOM 433 CB ARG A 29 -12.949 -3.328 2.686 1.00 74.23 C ATOM 434 CG ARG A 29 -12.660 -4.399 1.647 1.00 25.41 C ATOM 435 CD ARG A 29 -13.942 -5.015 1.109 1.00 43.12 C ATOM 436 NE ARG A 29 -14.863 -4.003 0.599 1.00 1.44 N ATOM 437 CZ ARG A 29 -16.004 -4.291 -0.017 1.00 0.35 C ATOM 438 NH1 ARG A 29 -16.363 -5.554 -0.198 1.00 25.20 N ATOM 439 NH2 ARG A 29 -16.789 -3.314 -0.452 1.00 14.11 N ATOM 0 H ARG A 29 -12.613 -5.102 4.370 1.00 50.15 H new ATOM 0 HA ARG A 29 -10.904 -3.110 3.310 1.00 11.31 H new ATOM 0 HB2 ARG A 29 -13.913 -3.535 3.151 1.00 74.23 H new ATOM 0 HB3 ARG A 29 -13.037 -2.363 2.186 1.00 74.23 H new ATOM 0 HG2 ARG A 29 -12.091 -3.965 0.825 1.00 25.41 H new ATOM 0 HG3 ARG A 29 -12.039 -5.178 2.089 1.00 25.41 H new ATOM 0 HD2 ARG A 29 -13.700 -5.719 0.313 1.00 43.12 H new ATOM 0 HD3 ARG A 29 -14.430 -5.584 1.900 1.00 43.12 H new ATOM 0 HE ARG A 29 -14.617 -3.021 0.723 1.00 1.44 H new ATOM 0 HH11 ARG A 29 -15.763 -6.308 0.136 1.00 25.20 H new ATOM 0 HH12 ARG A 29 -17.240 -5.772 -0.671 1.00 25.20 H new ATOM 0 HH21 ARG A 29 -16.516 -2.341 -0.314 1.00 14.11 H new ATOM 0 HH22 ARG A 29 -17.665 -3.536 -0.925 1.00 14.11 H new ATOM 453 N LYS A 30 -12.910 -2.215 5.727 1.00 52.24 N ATOM 454 CA LYS A 30 -13.242 -1.135 6.648 1.00 1.14 C ATOM 455 C LYS A 30 -12.011 -0.692 7.433 1.00 33.34 C ATOM 456 O LYS A 30 -11.785 0.501 7.633 1.00 51.44 O ATOM 457 CB LYS A 30 -14.343 -1.581 7.614 1.00 44.33 C ATOM 458 CG LYS A 30 -15.735 -1.144 7.192 1.00 1.12 C ATOM 459 CD LYS A 30 -16.754 -1.395 8.291 1.00 54.34 C ATOM 460 CE LYS A 30 -17.392 -2.769 8.156 1.00 54.13 C ATOM 461 NZ LYS A 30 -18.663 -2.868 8.925 1.00 35.31 N ATOM 0 H LYS A 30 -13.307 -3.120 5.978 1.00 52.24 H new ATOM 0 HA LYS A 30 -13.602 -0.289 6.062 1.00 1.14 H new ATOM 0 HB2 LYS A 30 -14.322 -2.668 7.699 1.00 44.33 H new ATOM 0 HB3 LYS A 30 -14.130 -1.180 8.605 1.00 44.33 H new ATOM 0 HG2 LYS A 30 -15.724 -0.084 6.940 1.00 1.12 H new ATOM 0 HG3 LYS A 30 -16.029 -1.683 6.291 1.00 1.12 H new ATOM 0 HD2 LYS A 30 -16.270 -1.312 9.264 1.00 54.34 H new ATOM 0 HD3 LYS A 30 -17.528 -0.628 8.253 1.00 54.34 H new ATOM 0 HE2 LYS A 30 -17.587 -2.977 7.104 1.00 54.13 H new ATOM 0 HE3 LYS A 30 -16.695 -3.529 8.508 1.00 54.13 H new ATOM 0 HZ1 LYS A 30 -19.067 -3.819 8.807 1.00 35.31 H new ATOM 0 HZ2 LYS A 30 -18.473 -2.694 9.933 1.00 35.31 H new ATOM 0 HZ3 LYS A 30 -19.338 -2.160 8.573 1.00 35.31 H new ATOM 475 N LYS A 31 -11.217 -1.662 7.876 1.00 15.51 N ATOM 476 CA LYS A 31 -10.008 -1.373 8.637 1.00 3.30 C ATOM 477 C LYS A 31 -9.019 -0.566 7.801 1.00 23.42 C ATOM 478 O LYS A 31 -8.538 0.482 8.232 1.00 12.22 O ATOM 479 CB LYS A 31 -9.353 -2.674 9.107 1.00 40.25 C ATOM 480 CG LYS A 31 -7.973 -2.477 9.710 1.00 33.04 C ATOM 481 CD LYS A 31 -6.894 -3.125 8.859 1.00 13.01 C ATOM 482 CE LYS A 31 -6.425 -4.441 9.461 1.00 43.33 C ATOM 483 NZ LYS A 31 -7.565 -5.347 9.771 1.00 1.12 N ATOM 0 H LYS A 31 -11.390 -2.655 7.721 1.00 15.51 H new ATOM 0 HA LYS A 31 -10.289 -0.780 9.507 1.00 3.30 H new ATOM 0 HB2 LYS A 31 -9.998 -3.150 9.845 1.00 40.25 H new ATOM 0 HB3 LYS A 31 -9.277 -3.358 8.262 1.00 40.25 H new ATOM 0 HG2 LYS A 31 -7.768 -1.411 9.810 1.00 33.04 H new ATOM 0 HG3 LYS A 31 -7.950 -2.901 10.714 1.00 33.04 H new ATOM 0 HD2 LYS A 31 -7.278 -3.300 7.854 1.00 13.01 H new ATOM 0 HD3 LYS A 31 -6.047 -2.445 8.763 1.00 13.01 H new ATOM 0 HE2 LYS A 31 -5.746 -4.936 8.767 1.00 43.33 H new ATOM 0 HE3 LYS A 31 -5.861 -4.243 10.372 1.00 43.33 H new ATOM 0 HZ1 LYS A 31 -7.222 -6.327 9.835 1.00 1.12 H new ATOM 0 HZ2 LYS A 31 -7.992 -5.070 10.678 1.00 1.12 H new ATOM 0 HZ3 LYS A 31 -8.278 -5.278 9.017 1.00 1.12 H new ATOM 497 N ILE A 32 -8.721 -1.062 6.605 1.00 44.42 N ATOM 498 CA ILE A 32 -7.791 -0.385 5.709 1.00 72.14 C ATOM 499 C ILE A 32 -8.336 0.971 5.274 1.00 44.32 C ATOM 500 O ILE A 32 -7.597 1.954 5.201 1.00 32.34 O ATOM 501 CB ILE A 32 -7.498 -1.233 4.457 1.00 60.21 C ATOM 502 CG1 ILE A 32 -6.502 -2.346 4.790 1.00 43.31 C ATOM 503 CG2 ILE A 32 -6.964 -0.355 3.335 1.00 11.12 C ATOM 504 CD1 ILE A 32 -6.291 -3.327 3.658 1.00 41.31 C ATOM 0 H ILE A 32 -9.109 -1.929 6.234 1.00 44.42 H new ATOM 0 HA ILE A 32 -6.865 -0.241 6.265 1.00 72.14 H new ATOM 0 HB ILE A 32 -8.428 -1.692 4.121 1.00 60.21 H new ATOM 0 HG12 ILE A 32 -5.544 -1.898 5.055 1.00 43.31 H new ATOM 0 HG13 ILE A 32 -6.855 -2.887 5.668 1.00 43.31 H new ATOM 0 HG21 ILE A 32 -6.762 -0.969 2.457 1.00 11.12 H new ATOM 0 HG22 ILE A 32 -7.704 0.405 3.084 1.00 11.12 H new ATOM 0 HG23 ILE A 32 -6.043 0.129 3.659 1.00 11.12 H new ATOM 0 HD11 ILE A 32 -5.573 -4.088 3.965 1.00 41.31 H new ATOM 0 HD12 ILE A 32 -7.239 -3.803 3.407 1.00 41.31 H new ATOM 0 HD13 ILE A 32 -5.908 -2.798 2.785 1.00 41.31 H new ATOM 516 N ARG A 33 -9.632 1.018 4.987 1.00 35.10 N ATOM 517 CA ARG A 33 -10.277 2.254 4.560 1.00 44.20 C ATOM 518 C ARG A 33 -10.390 3.237 5.721 1.00 12.34 C ATOM 519 O ARG A 33 -10.531 4.443 5.516 1.00 45.04 O ATOM 520 CB ARG A 33 -11.665 1.960 3.989 1.00 10.11 C ATOM 521 CG ARG A 33 -12.490 3.208 3.720 1.00 43.11 C ATOM 522 CD ARG A 33 -13.623 2.928 2.745 1.00 65.31 C ATOM 523 NE ARG A 33 -14.787 2.349 3.410 1.00 24.22 N ATOM 524 CZ ARG A 33 -15.660 3.060 4.114 1.00 53.33 C ATOM 525 NH1 ARG A 33 -15.503 4.370 4.243 1.00 44.44 N ATOM 526 NH2 ARG A 33 -16.695 2.461 4.690 1.00 42.32 N ATOM 0 H ARG A 33 -10.257 0.214 5.042 1.00 35.10 H new ATOM 0 HA ARG A 33 -9.661 2.706 3.783 1.00 44.20 H new ATOM 0 HB2 ARG A 33 -11.555 1.400 3.060 1.00 10.11 H new ATOM 0 HB3 ARG A 33 -12.207 1.320 4.685 1.00 10.11 H new ATOM 0 HG2 ARG A 33 -12.900 3.583 4.658 1.00 43.11 H new ATOM 0 HG3 ARG A 33 -11.847 3.991 3.317 1.00 43.11 H new ATOM 0 HD2 ARG A 33 -13.912 3.855 2.250 1.00 65.31 H new ATOM 0 HD3 ARG A 33 -13.273 2.247 1.969 1.00 65.31 H new ATOM 0 HE ARG A 33 -14.938 1.343 3.329 1.00 24.22 H new ATOM 0 HH11 ARG A 33 -14.710 4.835 3.801 1.00 44.44 H new ATOM 0 HH12 ARG A 33 -16.175 4.913 4.784 1.00 44.44 H new ATOM 0 HH21 ARG A 33 -16.820 1.453 4.592 1.00 42.32 H new ATOM 0 HH22 ARG A 33 -17.365 3.008 5.231 1.00 42.32 H new ATOM 540 N ASP A 34 -10.329 2.714 6.941 1.00 72.12 N ATOM 541 CA ASP A 34 -10.425 3.545 8.135 1.00 24.03 C ATOM 542 C ASP A 34 -9.039 3.860 8.690 1.00 40.41 C ATOM 543 O ASP A 34 -8.907 4.413 9.783 1.00 50.22 O ATOM 544 CB ASP A 34 -11.268 2.846 9.203 1.00 41.02 C ATOM 545 CG ASP A 34 -11.566 3.746 10.386 1.00 55.03 C ATOM 546 OD1 ASP A 34 -11.918 4.924 10.162 1.00 22.40 O ATOM 547 OD2 ASP A 34 -11.450 3.273 11.535 1.00 24.41 O ATOM 0 H ASP A 34 -10.213 1.718 7.129 1.00 72.12 H new ATOM 0 HA ASP A 34 -10.908 4.482 7.858 1.00 24.03 H new ATOM 0 HB2 ASP A 34 -12.206 2.511 8.760 1.00 41.02 H new ATOM 0 HB3 ASP A 34 -10.744 1.956 9.550 1.00 41.02 H new ATOM 552 N LEU A 35 -8.009 3.505 7.931 1.00 65.13 N ATOM 553 CA LEU A 35 -6.632 3.749 8.346 1.00 23.15 C ATOM 554 C LEU A 35 -6.343 5.245 8.422 1.00 23.31 C ATOM 555 O LEU A 35 -7.045 6.068 7.835 1.00 11.11 O ATOM 556 CB LEU A 35 -5.658 3.078 7.375 1.00 14.43 C ATOM 557 CG LEU A 35 -5.377 1.596 7.624 1.00 44.31 C ATOM 558 CD1 LEU A 35 -4.548 1.013 6.490 1.00 4.01 C ATOM 559 CD2 LEU A 35 -4.669 1.404 8.958 1.00 53.34 C ATOM 0 H LEU A 35 -8.101 3.047 7.024 1.00 65.13 H new ATOM 0 HA LEU A 35 -6.497 3.321 9.339 1.00 23.15 H new ATOM 0 HB2 LEU A 35 -6.050 3.188 6.364 1.00 14.43 H new ATOM 0 HB3 LEU A 35 -4.712 3.618 7.410 1.00 14.43 H new ATOM 0 HG LEU A 35 -6.329 1.066 7.661 1.00 44.31 H new ATOM 0 HD11 LEU A 35 -4.358 -0.043 6.684 1.00 4.01 H new ATOM 0 HD12 LEU A 35 -5.092 1.117 5.551 1.00 4.01 H new ATOM 0 HD13 LEU A 35 -3.600 1.546 6.421 1.00 4.01 H new ATOM 0 HD21 LEU A 35 -4.477 0.343 9.119 1.00 53.34 H new ATOM 0 HD22 LEU A 35 -3.724 1.947 8.950 1.00 53.34 H new ATOM 0 HD23 LEU A 35 -5.299 1.785 9.762 1.00 53.34 H new ATOM 571 N PRO A 36 -5.283 5.606 9.160 1.00 1.44 N ATOM 572 CA PRO A 36 -4.875 7.004 9.328 1.00 2.30 C ATOM 573 C PRO A 36 -4.308 7.601 8.044 1.00 24.53 C ATOM 574 O PRO A 36 -3.293 7.132 7.527 1.00 52.12 O ATOM 575 CB PRO A 36 -3.792 6.931 10.407 1.00 30.35 C ATOM 576 CG PRO A 36 -3.247 5.548 10.304 1.00 40.23 C ATOM 577 CD PRO A 36 -4.401 4.678 9.888 1.00 41.31 C ATOM 0 HA PRO A 36 -5.716 7.645 9.592 1.00 2.30 H new ATOM 0 HB2 PRO A 36 -3.015 7.676 10.239 1.00 30.35 H new ATOM 0 HB3 PRO A 36 -4.206 7.121 11.397 1.00 30.35 H new ATOM 0 HG2 PRO A 36 -2.439 5.500 9.574 1.00 40.23 H new ATOM 0 HG3 PRO A 36 -2.834 5.219 11.258 1.00 40.23 H new ATOM 0 HD2 PRO A 36 -4.075 3.853 9.254 1.00 41.31 H new ATOM 0 HD3 PRO A 36 -4.904 4.238 10.749 1.00 41.31 H new ATOM 585 N ILE A 37 -4.968 8.635 7.536 1.00 42.50 N ATOM 586 CA ILE A 37 -4.528 9.296 6.314 1.00 45.15 C ATOM 587 C ILE A 37 -3.219 10.047 6.535 1.00 10.22 C ATOM 588 O ILE A 37 -2.379 10.130 5.639 1.00 54.01 O ATOM 589 CB ILE A 37 -5.590 10.281 5.792 1.00 10.50 C ATOM 590 CG1 ILE A 37 -6.017 11.241 6.905 1.00 43.34 C ATOM 591 CG2 ILE A 37 -6.792 9.525 5.248 1.00 74.32 C ATOM 592 CD1 ILE A 37 -6.990 12.304 6.445 1.00 2.43 C ATOM 0 H ILE A 37 -5.810 9.034 7.952 1.00 42.50 H new ATOM 0 HA ILE A 37 -4.374 8.514 5.571 1.00 45.15 H new ATOM 0 HB ILE A 37 -5.155 10.865 4.981 1.00 10.50 H new ATOM 0 HG12 ILE A 37 -6.472 10.668 7.713 1.00 43.34 H new ATOM 0 HG13 ILE A 37 -5.131 11.724 7.317 1.00 43.34 H new ATOM 0 HG21 ILE A 37 -7.534 10.235 4.883 1.00 74.32 H new ATOM 0 HG22 ILE A 37 -6.475 8.878 4.430 1.00 74.32 H new ATOM 0 HG23 ILE A 37 -7.230 8.919 6.041 1.00 74.32 H new ATOM 0 HD11 ILE A 37 -7.249 12.948 7.285 1.00 2.43 H new ATOM 0 HD12 ILE A 37 -6.531 12.902 5.658 1.00 2.43 H new ATOM 0 HD13 ILE A 37 -7.893 11.829 6.060 1.00 2.43 H new ATOM 604 N SER A 38 -3.052 10.592 7.736 1.00 22.31 N ATOM 605 CA SER A 38 -1.846 11.338 8.076 1.00 61.02 C ATOM 606 C SER A 38 -0.629 10.419 8.107 1.00 22.42 C ATOM 607 O SER A 38 0.509 10.871 7.976 1.00 63.04 O ATOM 608 CB SER A 38 -2.013 12.028 9.431 1.00 42.52 C ATOM 609 OG SER A 38 -1.788 13.423 9.323 1.00 0.55 O ATOM 0 H SER A 38 -3.737 10.531 8.490 1.00 22.31 H new ATOM 0 HA SER A 38 -1.688 12.095 7.308 1.00 61.02 H new ATOM 0 HB2 SER A 38 -3.017 11.847 9.814 1.00 42.52 H new ATOM 0 HB3 SER A 38 -1.316 11.598 10.150 1.00 42.52 H new ATOM 0 HG SER A 38 -1.902 13.842 10.202 1.00 0.55 H new ATOM 615 N LEU A 39 -0.877 9.125 8.283 1.00 42.45 N ATOM 616 CA LEU A 39 0.198 8.140 8.332 1.00 51.05 C ATOM 617 C LEU A 39 0.790 7.910 6.945 1.00 54.25 C ATOM 618 O LEU A 39 1.966 7.572 6.808 1.00 54.21 O ATOM 619 CB LEU A 39 -0.320 6.819 8.903 1.00 54.03 C ATOM 620 CG LEU A 39 0.642 6.060 9.817 1.00 35.13 C ATOM 621 CD1 LEU A 39 -0.119 5.384 10.948 1.00 65.54 C ATOM 622 CD2 LEU A 39 1.439 5.037 9.021 1.00 10.14 C ATOM 0 H LEU A 39 -1.813 8.734 8.394 1.00 42.45 H new ATOM 0 HA LEU A 39 0.983 8.527 8.982 1.00 51.05 H new ATOM 0 HB2 LEU A 39 -1.235 7.021 9.460 1.00 54.03 H new ATOM 0 HB3 LEU A 39 -0.590 6.168 8.072 1.00 54.03 H new ATOM 0 HG LEU A 39 1.340 6.775 10.252 1.00 35.13 H new ATOM 0 HD11 LEU A 39 0.582 4.848 11.589 1.00 65.54 H new ATOM 0 HD12 LEU A 39 -0.644 6.138 11.535 1.00 65.54 H new ATOM 0 HD13 LEU A 39 -0.840 4.681 10.532 1.00 65.54 H new ATOM 0 HD21 LEU A 39 2.119 4.506 9.688 1.00 10.14 H new ATOM 0 HD22 LEU A 39 0.756 4.325 8.557 1.00 10.14 H new ATOM 0 HD23 LEU A 39 2.014 5.546 8.247 1.00 10.14 H new ATOM 634 N PHE A 40 -0.033 8.098 5.918 1.00 62.14 N ATOM 635 CA PHE A 40 0.409 7.912 4.540 1.00 3.34 C ATOM 636 C PHE A 40 0.157 9.170 3.714 1.00 0.01 C ATOM 637 O PHE A 40 -0.988 9.578 3.518 1.00 20.31 O ATOM 638 CB PHE A 40 -0.311 6.720 3.908 1.00 61.24 C ATOM 639 CG PHE A 40 -0.483 5.558 4.843 1.00 25.45 C ATOM 640 CD1 PHE A 40 -1.585 5.481 5.679 1.00 13.10 C ATOM 641 CD2 PHE A 40 0.458 4.542 4.887 1.00 24.44 C ATOM 642 CE1 PHE A 40 -1.745 4.413 6.542 1.00 51.23 C ATOM 643 CE2 PHE A 40 0.304 3.471 5.748 1.00 73.12 C ATOM 644 CZ PHE A 40 -0.800 3.406 6.575 1.00 12.22 C ATOM 0 H PHE A 40 -1.009 8.379 6.014 1.00 62.14 H new ATOM 0 HA PHE A 40 1.481 7.715 4.552 1.00 3.34 H new ATOM 0 HB2 PHE A 40 -1.292 7.042 3.558 1.00 61.24 H new ATOM 0 HB3 PHE A 40 0.248 6.391 3.032 1.00 61.24 H new ATOM 0 HD1 PHE A 40 -2.328 6.265 5.656 1.00 13.10 H new ATOM 0 HD2 PHE A 40 1.322 4.587 4.241 1.00 24.44 H new ATOM 0 HE1 PHE A 40 -2.608 4.366 7.190 1.00 51.23 H new ATOM 0 HE2 PHE A 40 1.046 2.687 5.774 1.00 73.12 H new ATOM 0 HZ PHE A 40 -0.924 2.569 7.246 1.00 12.22 H new ATOM 654 N ASP A 41 1.234 9.780 3.233 1.00 44.21 N ATOM 655 CA ASP A 41 1.131 10.991 2.427 1.00 4.42 C ATOM 656 C ASP A 41 0.150 10.796 1.276 1.00 42.14 C ATOM 657 O ASP A 41 -0.478 11.749 0.814 1.00 74.10 O ATOM 658 CB ASP A 41 2.505 11.385 1.882 1.00 1.20 C ATOM 659 CG ASP A 41 3.284 10.194 1.359 1.00 13.12 C ATOM 660 OD1 ASP A 41 3.991 9.550 2.161 1.00 20.24 O ATOM 661 OD2 ASP A 41 3.187 9.907 0.148 1.00 75.24 O ATOM 0 H ASP A 41 2.189 9.456 3.387 1.00 44.21 H new ATOM 0 HA ASP A 41 0.759 11.792 3.065 1.00 4.42 H new ATOM 0 HB2 ASP A 41 2.380 12.113 1.081 1.00 1.20 H new ATOM 0 HB3 ASP A 41 3.079 11.873 2.670 1.00 1.20 H new ATOM 666 N TYR A 42 0.025 9.556 0.816 1.00 41.33 N ATOM 667 CA TYR A 42 -0.877 9.237 -0.284 1.00 62.55 C ATOM 668 C TYR A 42 -1.561 7.893 -0.055 1.00 34.43 C ATOM 669 O TYR A 42 -0.902 6.873 0.149 1.00 3.34 O ATOM 670 CB TYR A 42 -0.111 9.212 -1.608 1.00 72.35 C ATOM 671 CG TYR A 42 -0.977 8.878 -2.802 1.00 40.54 C ATOM 672 CD1 TYR A 42 -2.271 9.374 -2.906 1.00 72.53 C ATOM 673 CD2 TYR A 42 -0.502 8.068 -3.826 1.00 5.11 C ATOM 674 CE1 TYR A 42 -3.066 9.071 -3.995 1.00 13.30 C ATOM 675 CE2 TYR A 42 -1.289 7.762 -4.919 1.00 21.02 C ATOM 676 CZ TYR A 42 -2.570 8.266 -4.999 1.00 35.33 C ATOM 677 OH TYR A 42 -3.359 7.962 -6.085 1.00 65.21 O ATOM 0 H TYR A 42 0.537 8.756 1.188 1.00 41.33 H new ATOM 0 HA TYR A 42 -1.643 10.011 -0.329 1.00 62.55 H new ATOM 0 HB2 TYR A 42 0.354 10.185 -1.768 1.00 72.35 H new ATOM 0 HB3 TYR A 42 0.695 8.481 -1.538 1.00 72.35 H new ATOM 0 HD1 TYR A 42 -2.662 10.007 -2.123 1.00 72.53 H new ATOM 0 HD2 TYR A 42 0.500 7.671 -3.766 1.00 5.11 H new ATOM 0 HE1 TYR A 42 -4.070 9.463 -4.060 1.00 13.30 H new ATOM 0 HE2 TYR A 42 -0.903 7.132 -5.707 1.00 21.02 H new ATOM 0 HH TYR A 42 -4.233 8.394 -5.985 1.00 65.21 H new ATOM 687 N PHE A 43 -2.890 7.899 -0.090 1.00 42.11 N ATOM 688 CA PHE A 43 -3.666 6.682 0.114 1.00 30.34 C ATOM 689 C PHE A 43 -4.753 6.545 -0.948 1.00 64.51 C ATOM 690 O PHE A 43 -5.677 7.355 -1.014 1.00 10.43 O ATOM 691 CB PHE A 43 -4.297 6.682 1.508 1.00 30.13 C ATOM 692 CG PHE A 43 -4.346 5.322 2.144 1.00 12.13 C ATOM 693 CD1 PHE A 43 -4.337 4.177 1.364 1.00 11.12 C ATOM 694 CD2 PHE A 43 -4.402 5.189 3.522 1.00 31.14 C ATOM 695 CE1 PHE A 43 -4.382 2.924 1.946 1.00 1.22 C ATOM 696 CE2 PHE A 43 -4.447 3.939 4.110 1.00 25.20 C ATOM 697 CZ PHE A 43 -4.438 2.805 3.321 1.00 3.10 C ATOM 0 H PHE A 43 -3.452 8.734 -0.258 1.00 42.11 H new ATOM 0 HA PHE A 43 -2.990 5.831 0.028 1.00 30.34 H new ATOM 0 HB2 PHE A 43 -3.733 7.356 2.153 1.00 30.13 H new ATOM 0 HB3 PHE A 43 -5.310 7.079 1.440 1.00 30.13 H new ATOM 0 HD1 PHE A 43 -4.294 4.264 0.288 1.00 11.12 H new ATOM 0 HD2 PHE A 43 -4.411 6.072 4.144 1.00 31.14 H new ATOM 0 HE1 PHE A 43 -4.373 2.039 1.327 1.00 1.22 H new ATOM 0 HE2 PHE A 43 -4.489 3.849 5.185 1.00 25.20 H new ATOM 0 HZ PHE A 43 -4.475 1.827 3.778 1.00 3.10 H new ATOM 707 N ILE A 44 -4.633 5.514 -1.778 1.00 35.42 N ATOM 708 CA ILE A 44 -5.605 5.270 -2.837 1.00 30.33 C ATOM 709 C ILE A 44 -5.952 3.788 -2.933 1.00 55.14 C ATOM 710 O ILE A 44 -5.092 2.955 -3.216 1.00 63.44 O ATOM 711 CB ILE A 44 -5.082 5.753 -4.202 1.00 55.15 C ATOM 712 CG1 ILE A 44 -5.955 5.200 -5.331 1.00 41.55 C ATOM 713 CG2 ILE A 44 -3.632 5.335 -4.393 1.00 73.40 C ATOM 714 CD1 ILE A 44 -6.190 6.189 -6.452 1.00 72.32 C ATOM 0 H ILE A 44 -3.873 4.835 -1.738 1.00 35.42 H new ATOM 0 HA ILE A 44 -6.501 5.835 -2.580 1.00 30.33 H new ATOM 0 HB ILE A 44 -5.131 6.842 -4.229 1.00 55.15 H new ATOM 0 HG12 ILE A 44 -5.484 4.306 -5.739 1.00 41.55 H new ATOM 0 HG13 ILE A 44 -6.917 4.894 -4.919 1.00 41.55 H new ATOM 0 HG21 ILE A 44 -3.277 5.684 -5.363 1.00 73.40 H new ATOM 0 HG22 ILE A 44 -3.020 5.772 -3.604 1.00 73.40 H new ATOM 0 HG23 ILE A 44 -3.558 4.248 -4.349 1.00 73.40 H new ATOM 0 HD11 ILE A 44 -6.816 5.730 -7.217 1.00 72.32 H new ATOM 0 HD12 ILE A 44 -6.689 7.074 -6.058 1.00 72.32 H new ATOM 0 HD13 ILE A 44 -5.234 6.476 -6.890 1.00 72.32 H new ATOM 726 N VAL A 45 -7.221 3.467 -2.698 1.00 64.40 N ATOM 727 CA VAL A 45 -7.684 2.086 -2.761 1.00 63.43 C ATOM 728 C VAL A 45 -8.784 1.922 -3.804 1.00 12.24 C ATOM 729 O VAL A 45 -9.653 2.782 -3.945 1.00 22.15 O ATOM 730 CB VAL A 45 -8.210 1.607 -1.395 1.00 73.13 C ATOM 731 CG1 VAL A 45 -8.196 0.088 -1.320 1.00 32.21 C ATOM 732 CG2 VAL A 45 -7.390 2.213 -0.267 1.00 21.34 C ATOM 0 H VAL A 45 -7.946 4.145 -2.462 1.00 64.40 H new ATOM 0 HA VAL A 45 -6.826 1.477 -3.044 1.00 63.43 H new ATOM 0 HB VAL A 45 -9.241 1.942 -1.284 1.00 73.13 H new ATOM 0 HG11 VAL A 45 -8.571 -0.232 -0.348 1.00 32.21 H new ATOM 0 HG12 VAL A 45 -8.831 -0.321 -2.106 1.00 32.21 H new ATOM 0 HG13 VAL A 45 -7.176 -0.273 -1.452 1.00 32.21 H new ATOM 0 HG21 VAL A 45 -7.775 1.864 0.691 1.00 21.34 H new ATOM 0 HG22 VAL A 45 -6.348 1.910 -0.371 1.00 21.34 H new ATOM 0 HG23 VAL A 45 -7.458 3.300 -0.311 1.00 21.34 H new ATOM 742 N GLY A 46 -8.741 0.811 -4.533 1.00 12.03 N ATOM 743 CA GLY A 46 -9.741 0.554 -5.553 1.00 44.32 C ATOM 744 C GLY A 46 -10.203 -0.889 -5.562 1.00 64.41 C ATOM 745 O GLY A 46 -9.385 -1.809 -5.583 1.00 0.35 O ATOM 0 H GLY A 46 -8.032 0.084 -4.435 1.00 12.03 H new ATOM 0 HA2 GLY A 46 -10.599 1.206 -5.388 1.00 44.32 H new ATOM 0 HA3 GLY A 46 -9.331 0.807 -6.531 1.00 44.32 H new ATOM 749 N GLU A 47 -11.517 -1.089 -5.545 1.00 2.30 N ATOM 750 CA GLU A 47 -12.085 -2.432 -5.549 1.00 12.55 C ATOM 751 C GLU A 47 -12.298 -2.929 -6.976 1.00 2.44 C ATOM 752 O GLU A 47 -12.818 -2.205 -7.824 1.00 62.12 O ATOM 753 CB GLU A 47 -13.413 -2.450 -4.787 1.00 45.45 C ATOM 754 CG GLU A 47 -14.075 -3.817 -4.752 1.00 11.52 C ATOM 755 CD GLU A 47 -15.173 -3.906 -3.709 1.00 43.33 C ATOM 756 OE1 GLU A 47 -15.732 -2.850 -3.346 1.00 0.22 O ATOM 757 OE2 GLU A 47 -15.472 -5.030 -3.257 1.00 72.40 O ATOM 0 H GLU A 47 -12.208 -0.339 -5.528 1.00 2.30 H new ATOM 0 HA GLU A 47 -11.380 -3.099 -5.052 1.00 12.55 H new ATOM 0 HB2 GLU A 47 -13.241 -2.113 -3.765 1.00 45.45 H new ATOM 0 HB3 GLU A 47 -14.096 -1.736 -5.247 1.00 45.45 H new ATOM 0 HG2 GLU A 47 -14.493 -4.040 -5.734 1.00 11.52 H new ATOM 0 HG3 GLU A 47 -13.321 -4.577 -4.546 1.00 11.52 H new ATOM 875 N PRO A 56 -15.242 -10.505 -5.546 1.00 0.21 N ATOM 876 CA PRO A 56 -14.546 -9.215 -5.580 1.00 54.11 C ATOM 877 C PRO A 56 -13.095 -9.327 -5.125 1.00 52.44 C ATOM 878 O PRO A 56 -12.712 -10.297 -4.471 1.00 11.22 O ATOM 879 CB PRO A 56 -15.348 -8.353 -4.602 1.00 35.33 C ATOM 880 CG PRO A 56 -15.979 -9.328 -3.668 1.00 53.20 C ATOM 881 CD PRO A 56 -16.259 -10.560 -4.483 1.00 34.21 C ATOM 0 HA PRO A 56 -14.497 -8.805 -6.589 1.00 54.11 H new ATOM 0 HB2 PRO A 56 -14.703 -7.655 -4.069 1.00 35.33 H new ATOM 0 HB3 PRO A 56 -16.100 -7.759 -5.122 1.00 35.33 H new ATOM 0 HG2 PRO A 56 -15.315 -9.555 -2.833 1.00 53.20 H new ATOM 0 HG3 PRO A 56 -16.898 -8.923 -3.244 1.00 53.20 H new ATOM 0 HD2 PRO A 56 -16.167 -11.467 -3.885 1.00 34.21 H new ATOM 0 HD3 PRO A 56 -17.269 -10.550 -4.893 1.00 34.21 H new ATOM 889 N HIS A 57 -12.291 -8.328 -5.476 1.00 13.31 N ATOM 890 CA HIS A 57 -10.881 -8.314 -5.102 1.00 54.24 C ATOM 891 C HIS A 57 -10.440 -6.910 -4.699 1.00 31.23 C ATOM 892 O HIS A 57 -10.820 -5.923 -5.330 1.00 14.04 O ATOM 893 CB HIS A 57 -10.020 -8.818 -6.261 1.00 32.45 C ATOM 894 CG HIS A 57 -8.549 -8.733 -5.994 1.00 62.32 C ATOM 895 ND1 HIS A 57 -7.799 -7.608 -6.265 1.00 63.52 N ATOM 896 CD2 HIS A 57 -7.689 -9.641 -5.476 1.00 61.33 C ATOM 897 CE1 HIS A 57 -6.541 -7.829 -5.927 1.00 42.23 C ATOM 898 NE2 HIS A 57 -6.447 -9.055 -5.445 1.00 75.14 N ATOM 0 H HIS A 57 -12.592 -7.518 -6.018 1.00 13.31 H new ATOM 0 HA HIS A 57 -10.750 -8.977 -4.246 1.00 54.24 H new ATOM 0 HB2 HIS A 57 -10.283 -9.854 -6.475 1.00 32.45 H new ATOM 0 HB3 HIS A 57 -10.253 -8.239 -7.155 1.00 32.45 H new ATOM 0 HD2 HIS A 57 -7.934 -10.640 -5.148 1.00 61.33 H new ATOM 0 HE1 HIS A 57 -5.727 -7.126 -6.028 1.00 42.23 H new ATOM 0 HE2 HIS A 57 -5.592 -9.495 -5.105 1.00 75.14 H new ATOM 906 N LEU A 58 -9.637 -6.828 -3.644 1.00 21.42 N ATOM 907 CA LEU A 58 -9.144 -5.545 -3.155 1.00 71.30 C ATOM 908 C LEU A 58 -7.742 -5.262 -3.686 1.00 33.44 C ATOM 909 O LEU A 58 -6.858 -6.116 -3.615 1.00 14.31 O ATOM 910 CB LEU A 58 -9.136 -5.529 -1.625 1.00 43.05 C ATOM 911 CG LEU A 58 -9.770 -4.305 -0.964 1.00 34.32 C ATOM 912 CD1 LEU A 58 -9.561 -4.344 0.542 1.00 0.11 C ATOM 913 CD2 LEU A 58 -9.197 -3.024 -1.551 1.00 41.11 C ATOM 0 H LEU A 58 -9.313 -7.635 -3.111 1.00 21.42 H new ATOM 0 HA LEU A 58 -9.813 -4.764 -3.517 1.00 71.30 H new ATOM 0 HB2 LEU A 58 -9.655 -6.419 -1.269 1.00 43.05 H new ATOM 0 HB3 LEU A 58 -8.103 -5.606 -1.286 1.00 43.05 H new ATOM 0 HG LEU A 58 -10.842 -4.323 -1.162 1.00 34.32 H new ATOM 0 HD11 LEU A 58 -10.019 -3.465 0.996 1.00 0.11 H new ATOM 0 HD12 LEU A 58 -10.021 -5.244 0.950 1.00 0.11 H new ATOM 0 HD13 LEU A 58 -8.493 -4.351 0.761 1.00 0.11 H new ATOM 0 HD21 LEU A 58 -9.660 -2.164 -1.068 1.00 41.11 H new ATOM 0 HD22 LEU A 58 -8.120 -2.997 -1.385 1.00 41.11 H new ATOM 0 HD23 LEU A 58 -9.399 -2.992 -2.622 1.00 41.11 H new ATOM 925 N GLN A 59 -7.547 -4.059 -4.215 1.00 10.24 N ATOM 926 CA GLN A 59 -6.252 -3.664 -4.755 1.00 41.44 C ATOM 927 C GLN A 59 -6.048 -2.157 -4.634 1.00 30.10 C ATOM 928 O GLN A 59 -6.724 -1.373 -5.299 1.00 71.41 O ATOM 929 CB GLN A 59 -6.136 -4.090 -6.220 1.00 43.50 C ATOM 930 CG GLN A 59 -4.994 -3.413 -6.961 1.00 62.35 C ATOM 931 CD GLN A 59 -3.642 -3.699 -6.337 1.00 13.53 C ATOM 932 OE1 GLN A 59 -3.407 -3.386 -5.169 1.00 43.43 O ATOM 933 NE2 GLN A 59 -2.745 -4.296 -7.113 1.00 14.05 N ATOM 0 H GLN A 59 -8.269 -3.341 -4.281 1.00 10.24 H new ATOM 0 HA GLN A 59 -5.477 -4.165 -4.175 1.00 41.44 H new ATOM 0 HB2 GLN A 59 -5.998 -5.170 -6.266 1.00 43.50 H new ATOM 0 HB3 GLN A 59 -7.073 -3.866 -6.730 1.00 43.50 H new ATOM 0 HG2 GLN A 59 -4.989 -3.749 -7.998 1.00 62.35 H new ATOM 0 HG3 GLN A 59 -5.163 -2.336 -6.975 1.00 62.35 H new ATOM 0 HE21 GLN A 59 -2.983 -4.537 -8.075 1.00 14.05 H new ATOM 0 HE22 GLN A 59 -1.818 -4.513 -6.747 1.00 14.05 H new ATOM 942 N GLY A 60 -5.111 -1.758 -3.779 1.00 20.51 N ATOM 943 CA GLY A 60 -4.835 -0.347 -3.585 1.00 53.14 C ATOM 944 C GLY A 60 -3.379 -0.079 -3.263 1.00 65.51 C ATOM 945 O GLY A 60 -2.614 -1.007 -2.998 1.00 5.14 O ATOM 0 H GLY A 60 -4.538 -2.388 -3.217 1.00 20.51 H new ATOM 0 HA2 GLY A 60 -5.111 0.201 -4.486 1.00 53.14 H new ATOM 0 HA3 GLY A 60 -5.459 0.034 -2.776 1.00 53.14 H new ATOM 949 N PHE A 61 -2.992 1.192 -3.288 1.00 34.24 N ATOM 950 CA PHE A 61 -1.617 1.579 -2.998 1.00 65.34 C ATOM 951 C PHE A 61 -1.570 2.662 -1.925 1.00 14.21 C ATOM 952 O PHE A 61 -2.396 3.574 -1.913 1.00 13.42 O ATOM 953 CB PHE A 61 -0.926 2.075 -4.270 1.00 42.22 C ATOM 954 CG PHE A 61 0.376 2.778 -4.010 1.00 71.01 C ATOM 955 CD1 PHE A 61 1.379 2.159 -3.281 1.00 51.13 C ATOM 956 CD2 PHE A 61 0.597 4.057 -4.495 1.00 11.03 C ATOM 957 CE1 PHE A 61 2.577 2.804 -3.040 1.00 22.01 C ATOM 958 CE2 PHE A 61 1.793 4.707 -4.257 1.00 25.32 C ATOM 959 CZ PHE A 61 2.785 4.079 -3.529 1.00 63.33 C ATOM 0 H PHE A 61 -3.612 1.972 -3.506 1.00 34.24 H new ATOM 0 HA PHE A 61 -1.090 0.701 -2.625 1.00 65.34 H new ATOM 0 HB2 PHE A 61 -0.746 1.227 -4.930 1.00 42.22 H new ATOM 0 HB3 PHE A 61 -1.597 2.753 -4.797 1.00 42.22 H new ATOM 0 HD1 PHE A 61 1.223 1.162 -2.897 1.00 51.13 H new ATOM 0 HD2 PHE A 61 -0.175 4.552 -5.066 1.00 11.03 H new ATOM 0 HE1 PHE A 61 3.350 2.311 -2.469 1.00 22.01 H new ATOM 0 HE2 PHE A 61 1.952 5.704 -4.640 1.00 25.32 H new ATOM 0 HZ PHE A 61 3.721 4.584 -3.343 1.00 63.33 H new ATOM 969 N ALA A 62 -0.599 2.554 -1.025 1.00 22.23 N ATOM 970 CA ALA A 62 -0.443 3.524 0.052 1.00 72.00 C ATOM 971 C ALA A 62 1.019 3.921 0.226 1.00 13.11 C ATOM 972 O ALA A 62 1.887 3.067 0.398 1.00 43.04 O ATOM 973 CB ALA A 62 -0.998 2.963 1.353 1.00 72.53 C ATOM 0 H ALA A 62 0.092 1.804 -1.020 1.00 22.23 H new ATOM 0 HA ALA A 62 -1.006 4.419 -0.214 1.00 72.00 H new ATOM 0 HB1 ALA A 62 -0.875 3.698 2.148 1.00 72.53 H new ATOM 0 HB2 ALA A 62 -2.057 2.737 1.229 1.00 72.53 H new ATOM 0 HB3 ALA A 62 -0.460 2.052 1.615 1.00 72.53 H new ATOM 979 N ASN A 63 1.283 5.223 0.180 1.00 20.11 N ATOM 980 CA ASN A 63 2.641 5.733 0.332 1.00 70.14 C ATOM 981 C ASN A 63 2.952 6.026 1.796 1.00 15.42 C ATOM 982 O ASN A 63 2.366 6.927 2.398 1.00 42.34 O ATOM 983 CB ASN A 63 2.828 7.000 -0.505 1.00 44.10 C ATOM 984 CG ASN A 63 4.282 7.420 -0.601 1.00 25.21 C ATOM 985 OD1 ASN A 63 4.905 7.774 0.400 1.00 2.03 O ATOM 986 ND2 ASN A 63 4.831 7.382 -1.810 1.00 15.01 N ATOM 0 H ASN A 63 0.575 5.944 0.039 1.00 20.11 H new ATOM 0 HA ASN A 63 3.332 4.967 -0.021 1.00 70.14 H new ATOM 0 HB2 ASN A 63 2.434 6.831 -1.507 1.00 44.10 H new ATOM 0 HB3 ASN A 63 2.247 7.811 -0.066 1.00 44.10 H new ATOM 0 HD21 ASN A 63 5.806 7.653 -1.936 1.00 15.01 H new ATOM 0 HD22 ASN A 63 4.277 7.082 -2.612 1.00 15.01 H new ATOM 993 N PHE A 64 3.877 5.260 2.364 1.00 12.22 N ATOM 994 CA PHE A 64 4.266 5.437 3.758 1.00 14.35 C ATOM 995 C PHE A 64 5.061 6.726 3.942 1.00 43.33 C ATOM 996 O PHE A 64 6.063 6.953 3.263 1.00 71.15 O ATOM 997 CB PHE A 64 5.093 4.242 4.235 1.00 20.22 C ATOM 998 CG PHE A 64 4.383 3.386 5.245 1.00 61.11 C ATOM 999 CD1 PHE A 64 4.191 3.836 6.541 1.00 32.02 C ATOM 1000 CD2 PHE A 64 3.908 2.132 4.898 1.00 73.33 C ATOM 1001 CE1 PHE A 64 3.539 3.050 7.472 1.00 34.03 C ATOM 1002 CE2 PHE A 64 3.254 1.341 5.825 1.00 44.34 C ATOM 1003 CZ PHE A 64 3.069 1.802 7.113 1.00 32.33 C ATOM 0 H PHE A 64 4.371 4.510 1.880 1.00 12.22 H new ATOM 0 HA PHE A 64 3.357 5.503 4.356 1.00 14.35 H new ATOM 0 HB2 PHE A 64 5.360 3.629 3.374 1.00 20.22 H new ATOM 0 HB3 PHE A 64 6.025 4.605 4.669 1.00 20.22 H new ATOM 0 HD1 PHE A 64 4.555 4.812 6.827 1.00 32.02 H new ATOM 0 HD2 PHE A 64 4.050 1.768 3.891 1.00 73.33 H new ATOM 0 HE1 PHE A 64 3.397 3.411 8.480 1.00 34.03 H new ATOM 0 HE2 PHE A 64 2.889 0.365 5.542 1.00 44.34 H new ATOM 0 HZ PHE A 64 2.557 1.188 7.839 1.00 32.33 H new ATOM 1013 N VAL A 65 4.608 7.569 4.864 1.00 34.24 N ATOM 1014 CA VAL A 65 5.276 8.835 5.138 1.00 2.23 C ATOM 1015 C VAL A 65 6.712 8.610 5.599 1.00 12.13 C ATOM 1016 O VAL A 65 7.552 9.505 5.510 1.00 43.44 O ATOM 1017 CB VAL A 65 4.525 9.646 6.211 1.00 22.22 C ATOM 1018 CG1 VAL A 65 5.294 10.911 6.561 1.00 63.33 C ATOM 1019 CG2 VAL A 65 3.119 9.981 5.738 1.00 72.30 C ATOM 0 H VAL A 65 3.780 7.398 5.434 1.00 34.24 H new ATOM 0 HA VAL A 65 5.281 9.399 4.205 1.00 2.23 H new ATOM 0 HB VAL A 65 4.446 9.037 7.112 1.00 22.22 H new ATOM 0 HG11 VAL A 65 4.748 11.470 7.320 1.00 63.33 H new ATOM 0 HG12 VAL A 65 6.278 10.644 6.945 1.00 63.33 H new ATOM 0 HG13 VAL A 65 5.408 11.526 5.669 1.00 63.33 H new ATOM 0 HG21 VAL A 65 2.603 10.554 6.508 1.00 72.30 H new ATOM 0 HG22 VAL A 65 3.174 10.570 4.823 1.00 72.30 H new ATOM 0 HG23 VAL A 65 2.571 9.059 5.543 1.00 72.30 H new ATOM 1029 N LYS A 66 6.987 7.408 6.093 1.00 22.32 N ATOM 1030 CA LYS A 66 8.322 7.062 6.567 1.00 11.24 C ATOM 1031 C LYS A 66 8.837 5.804 5.875 1.00 15.12 C ATOM 1032 O LYS A 66 8.182 5.261 4.985 1.00 63.02 O ATOM 1033 CB LYS A 66 8.309 6.854 8.083 1.00 32.35 C ATOM 1034 CG LYS A 66 8.409 8.146 8.876 1.00 74.31 C ATOM 1035 CD LYS A 66 7.051 8.810 9.033 1.00 71.12 C ATOM 1036 CE LYS A 66 6.211 8.118 10.096 1.00 45.01 C ATOM 1037 NZ LYS A 66 6.171 8.897 11.364 1.00 20.04 N ATOM 0 H LYS A 66 6.303 6.656 6.176 1.00 22.32 H new ATOM 0 HA LYS A 66 8.991 7.888 6.325 1.00 11.24 H new ATOM 0 HB2 LYS A 66 7.391 6.336 8.362 1.00 32.35 H new ATOM 0 HB3 LYS A 66 9.139 6.203 8.359 1.00 32.35 H new ATOM 0 HG2 LYS A 66 8.830 7.939 9.860 1.00 74.31 H new ATOM 0 HG3 LYS A 66 9.094 8.830 8.374 1.00 74.31 H new ATOM 0 HD2 LYS A 66 7.186 9.858 9.300 1.00 71.12 H new ATOM 0 HD3 LYS A 66 6.523 8.789 8.080 1.00 71.12 H new ATOM 0 HE2 LYS A 66 5.196 7.978 9.723 1.00 45.01 H new ATOM 0 HE3 LYS A 66 6.618 7.126 10.292 1.00 45.01 H new ATOM 0 HZ1 LYS A 66 5.589 8.393 12.063 1.00 20.04 H new ATOM 0 HZ2 LYS A 66 7.137 9.009 11.733 1.00 20.04 H new ATOM 0 HZ3 LYS A 66 5.759 9.835 11.183 1.00 20.04 H new ATOM 1051 N LYS A 67 10.012 5.344 6.291 1.00 51.53 N ATOM 1052 CA LYS A 67 10.614 4.149 5.713 1.00 31.42 C ATOM 1053 C LYS A 67 10.298 2.918 6.558 1.00 52.33 C ATOM 1054 O LYS A 67 10.769 2.793 7.688 1.00 41.14 O ATOM 1055 CB LYS A 67 12.130 4.322 5.593 1.00 14.54 C ATOM 1056 CG LYS A 67 12.607 4.534 4.167 1.00 32.50 C ATOM 1057 CD LYS A 67 12.252 5.921 3.660 1.00 44.40 C ATOM 1058 CE LYS A 67 13.460 6.846 3.677 1.00 13.34 C ATOM 1059 NZ LYS A 67 13.073 8.258 3.952 1.00 60.02 N ATOM 0 H LYS A 67 10.567 5.781 7.027 1.00 51.53 H new ATOM 0 HA LYS A 67 10.191 4.005 4.719 1.00 31.42 H new ATOM 0 HB2 LYS A 67 12.439 5.172 6.201 1.00 14.54 H new ATOM 0 HB3 LYS A 67 12.622 3.440 6.004 1.00 14.54 H new ATOM 0 HG2 LYS A 67 13.687 4.394 4.119 1.00 32.50 H new ATOM 0 HG3 LYS A 67 12.159 3.782 3.517 1.00 32.50 H new ATOM 0 HD2 LYS A 67 11.861 5.850 2.645 1.00 44.40 H new ATOM 0 HD3 LYS A 67 11.460 6.344 4.278 1.00 44.40 H new ATOM 0 HE2 LYS A 67 14.166 6.508 4.436 1.00 13.34 H new ATOM 0 HE3 LYS A 67 13.974 6.790 2.717 1.00 13.34 H new ATOM 0 HZ1 LYS A 67 13.923 8.857 3.955 1.00 60.02 H new ATOM 0 HZ2 LYS A 67 12.420 8.589 3.214 1.00 60.02 H new ATOM 0 HZ3 LYS A 67 12.606 8.316 4.879 1.00 60.02 H new ATOM 1073 N GLN A 68 9.499 2.013 6.001 1.00 2.31 N ATOM 1074 CA GLN A 68 9.122 0.793 6.704 1.00 31.21 C ATOM 1075 C GLN A 68 9.481 -0.441 5.883 1.00 34.30 C ATOM 1076 O GLN A 68 9.662 -0.361 4.667 1.00 35.15 O ATOM 1077 CB GLN A 68 7.623 0.798 7.011 1.00 43.24 C ATOM 1078 CG GLN A 68 7.253 1.637 8.223 1.00 23.23 C ATOM 1079 CD GLN A 68 7.736 3.070 8.111 1.00 21.54 C ATOM 1080 OE1 GLN A 68 7.410 3.774 7.155 1.00 21.24 O ATOM 1081 NE2 GLN A 68 8.518 3.509 9.091 1.00 52.34 N ATOM 0 H GLN A 68 9.101 2.102 5.066 1.00 2.31 H new ATOM 0 HA GLN A 68 9.677 0.757 7.641 1.00 31.21 H new ATOM 0 HB2 GLN A 68 7.084 1.173 6.141 1.00 43.24 H new ATOM 0 HB3 GLN A 68 7.291 -0.227 7.174 1.00 43.24 H new ATOM 0 HG2 GLN A 68 6.170 1.631 8.347 1.00 23.23 H new ATOM 0 HG3 GLN A 68 7.679 1.183 9.118 1.00 23.23 H new ATOM 0 HE21 GLN A 68 8.763 2.890 9.864 1.00 52.34 H new ATOM 0 HE22 GLN A 68 8.874 4.465 9.070 1.00 52.34 H new ATOM 1090 N THR A 69 9.583 -1.584 6.555 1.00 73.12 N ATOM 1091 CA THR A 69 9.921 -2.835 5.888 1.00 3.02 C ATOM 1092 C THR A 69 8.669 -3.638 5.556 1.00 54.41 C ATOM 1093 O THR A 69 7.566 -3.289 5.978 1.00 32.33 O ATOM 1094 CB THR A 69 10.856 -3.699 6.756 1.00 73.01 C ATOM 1095 OG1 THR A 69 10.103 -4.357 7.781 1.00 11.11 O ATOM 1096 CG2 THR A 69 11.947 -2.849 7.388 1.00 43.41 C ATOM 0 H THR A 69 9.436 -1.669 7.561 1.00 73.12 H new ATOM 0 HA THR A 69 10.435 -2.571 4.964 1.00 3.02 H new ATOM 0 HB THR A 69 11.325 -4.445 6.114 1.00 73.01 H new ATOM 0 HG1 THR A 69 10.704 -4.905 8.327 1.00 11.11 H new ATOM 0 HG21 THR A 69 12.594 -3.481 7.996 1.00 43.41 H new ATOM 0 HG22 THR A 69 12.537 -2.373 6.605 1.00 43.41 H new ATOM 0 HG23 THR A 69 11.493 -2.083 8.017 1.00 43.41 H new ATOM 1104 N PHE A 70 8.845 -4.714 4.797 1.00 23.23 N ATOM 1105 CA PHE A 70 7.728 -5.567 4.408 1.00 1.10 C ATOM 1106 C PHE A 70 7.057 -6.178 5.635 1.00 51.43 C ATOM 1107 O PHE A 70 5.846 -6.060 5.816 1.00 72.13 O ATOM 1108 CB PHE A 70 8.208 -6.676 3.470 1.00 23.30 C ATOM 1109 CG PHE A 70 7.237 -7.815 3.342 1.00 42.12 C ATOM 1110 CD1 PHE A 70 6.016 -7.634 2.713 1.00 41.03 C ATOM 1111 CD2 PHE A 70 7.545 -9.066 3.851 1.00 24.20 C ATOM 1112 CE1 PHE A 70 5.120 -8.680 2.593 1.00 44.24 C ATOM 1113 CE2 PHE A 70 6.654 -10.116 3.734 1.00 51.34 C ATOM 1114 CZ PHE A 70 5.439 -9.922 3.105 1.00 64.12 C ATOM 0 H PHE A 70 9.751 -5.016 4.439 1.00 23.23 H new ATOM 0 HA PHE A 70 6.997 -4.950 3.885 1.00 1.10 H new ATOM 0 HB2 PHE A 70 8.391 -6.252 2.483 1.00 23.30 H new ATOM 0 HB3 PHE A 70 9.161 -7.061 3.833 1.00 23.30 H new ATOM 0 HD1 PHE A 70 5.761 -6.664 2.312 1.00 41.03 H new ATOM 0 HD2 PHE A 70 8.493 -9.223 4.345 1.00 24.20 H new ATOM 0 HE1 PHE A 70 4.172 -8.526 2.099 1.00 44.24 H new ATOM 0 HE2 PHE A 70 6.907 -11.087 4.134 1.00 51.34 H new ATOM 0 HZ PHE A 70 4.740 -10.740 3.014 1.00 64.12 H new ATOM 1124 N ASN A 71 7.854 -6.831 6.474 1.00 11.22 N ATOM 1125 CA ASN A 71 7.338 -7.462 7.684 1.00 54.45 C ATOM 1126 C ASN A 71 6.701 -6.428 8.607 1.00 10.41 C ATOM 1127 O ASN A 71 5.651 -6.672 9.201 1.00 75.00 O ATOM 1128 CB ASN A 71 8.460 -8.197 8.419 1.00 11.32 C ATOM 1129 CG ASN A 71 8.072 -9.613 8.798 1.00 63.13 C ATOM 1130 OD1 ASN A 71 6.910 -9.893 9.091 1.00 30.12 O ATOM 1131 ND2 ASN A 71 9.047 -10.515 8.793 1.00 45.53 N ATOM 0 H ASN A 71 8.859 -6.937 6.339 1.00 11.22 H new ATOM 0 HA ASN A 71 6.573 -8.181 7.391 1.00 54.45 H new ATOM 0 HB2 ASN A 71 9.348 -8.223 7.788 1.00 11.32 H new ATOM 0 HB3 ASN A 71 8.725 -7.643 9.319 1.00 11.32 H new ATOM 0 HD21 ASN A 71 8.846 -11.484 9.039 1.00 45.53 H new ATOM 0 HD22 ASN A 71 9.996 -10.238 8.543 1.00 45.53 H new ATOM 1138 N LYS A 72 7.344 -5.271 8.723 1.00 11.42 N ATOM 1139 CA LYS A 72 6.841 -4.197 9.572 1.00 22.23 C ATOM 1140 C LYS A 72 5.516 -3.659 9.042 1.00 61.11 C ATOM 1141 O LYS A 72 4.542 -3.536 9.785 1.00 24.31 O ATOM 1142 CB LYS A 72 7.866 -3.064 9.658 1.00 63.12 C ATOM 1143 CG LYS A 72 7.873 -2.350 10.998 1.00 24.24 C ATOM 1144 CD LYS A 72 6.698 -1.396 11.128 1.00 30.14 C ATOM 1145 CE LYS A 72 6.489 -0.962 12.571 1.00 20.42 C ATOM 1146 NZ LYS A 72 7.443 0.108 12.972 1.00 3.23 N ATOM 0 H LYS A 72 8.215 -5.053 8.239 1.00 11.42 H new ATOM 0 HA LYS A 72 6.674 -4.604 10.569 1.00 22.23 H new ATOM 0 HB2 LYS A 72 8.860 -3.469 9.467 1.00 63.12 H new ATOM 0 HB3 LYS A 72 7.660 -2.339 8.871 1.00 63.12 H new ATOM 0 HG2 LYS A 72 7.837 -3.084 11.803 1.00 24.24 H new ATOM 0 HG3 LYS A 72 8.806 -1.797 11.112 1.00 24.24 H new ATOM 0 HD2 LYS A 72 6.870 -0.519 10.504 1.00 30.14 H new ATOM 0 HD3 LYS A 72 5.794 -1.878 10.757 1.00 30.14 H new ATOM 0 HE2 LYS A 72 5.467 -0.604 12.698 1.00 20.42 H new ATOM 0 HE3 LYS A 72 6.610 -1.822 13.230 1.00 20.42 H new ATOM 0 HZ1 LYS A 72 7.268 0.376 13.962 1.00 3.23 H new ATOM 0 HZ2 LYS A 72 8.418 -0.242 12.875 1.00 3.23 H new ATOM 0 HZ3 LYS A 72 7.311 0.938 12.360 1.00 3.23 H new ATOM 1160 N VAL A 73 5.486 -3.341 7.752 1.00 53.24 N ATOM 1161 CA VAL A 73 4.279 -2.818 7.121 1.00 23.52 C ATOM 1162 C VAL A 73 3.092 -3.747 7.352 1.00 24.03 C ATOM 1163 O VAL A 73 1.939 -3.318 7.320 1.00 73.41 O ATOM 1164 CB VAL A 73 4.477 -2.623 5.606 1.00 20.33 C ATOM 1165 CG1 VAL A 73 3.145 -2.349 4.925 1.00 61.44 C ATOM 1166 CG2 VAL A 73 5.464 -1.497 5.339 1.00 52.11 C ATOM 0 H VAL A 73 6.283 -3.436 7.123 1.00 53.24 H new ATOM 0 HA VAL A 73 4.075 -1.851 7.580 1.00 23.52 H new ATOM 0 HB VAL A 73 4.889 -3.542 5.189 1.00 20.33 H new ATOM 0 HG11 VAL A 73 3.304 -2.214 3.855 1.00 61.44 H new ATOM 0 HG12 VAL A 73 2.473 -3.191 5.088 1.00 61.44 H new ATOM 0 HG13 VAL A 73 2.702 -1.445 5.343 1.00 61.44 H new ATOM 0 HG21 VAL A 73 5.592 -1.373 4.264 1.00 52.11 H new ATOM 0 HG22 VAL A 73 5.084 -0.570 5.769 1.00 52.11 H new ATOM 0 HG23 VAL A 73 6.425 -1.740 5.793 1.00 52.11 H new ATOM 1176 N LYS A 74 3.383 -5.022 7.586 1.00 31.34 N ATOM 1177 CA LYS A 74 2.341 -6.014 7.825 1.00 14.52 C ATOM 1178 C LYS A 74 1.589 -5.712 9.117 1.00 15.35 C ATOM 1179 O LYS A 74 0.538 -6.294 9.385 1.00 15.02 O ATOM 1180 CB LYS A 74 2.948 -7.417 7.892 1.00 1.40 C ATOM 1181 CG LYS A 74 3.689 -7.819 6.629 1.00 71.42 C ATOM 1182 CD LYS A 74 3.309 -9.221 6.183 1.00 63.52 C ATOM 1183 CE LYS A 74 2.221 -9.193 5.120 1.00 21.05 C ATOM 1184 NZ LYS A 74 1.947 -10.550 4.571 1.00 51.41 N ATOM 0 H LYS A 74 4.333 -5.393 7.615 1.00 31.34 H new ATOM 0 HA LYS A 74 1.636 -5.970 6.995 1.00 14.52 H new ATOM 0 HB2 LYS A 74 3.634 -7.467 8.737 1.00 1.40 H new ATOM 0 HB3 LYS A 74 2.154 -8.139 8.083 1.00 1.40 H new ATOM 0 HG2 LYS A 74 3.465 -7.109 5.833 1.00 71.42 H new ATOM 0 HG3 LYS A 74 4.764 -7.771 6.805 1.00 71.42 H new ATOM 0 HD2 LYS A 74 4.189 -9.730 5.791 1.00 63.52 H new ATOM 0 HD3 LYS A 74 2.965 -9.796 7.042 1.00 63.52 H new ATOM 0 HE2 LYS A 74 1.306 -8.783 5.547 1.00 21.05 H new ATOM 0 HE3 LYS A 74 2.521 -8.528 4.311 1.00 21.05 H new ATOM 0 HZ1 LYS A 74 1.112 -10.512 3.952 1.00 51.41 H new ATOM 0 HZ2 LYS A 74 2.769 -10.876 4.024 1.00 51.41 H new ATOM 0 HZ3 LYS A 74 1.768 -11.211 5.353 1.00 51.41 H new ATOM 1198 N TRP A 75 2.132 -4.798 9.913 1.00 25.33 N ATOM 1199 CA TRP A 75 1.511 -4.418 11.177 1.00 22.51 C ATOM 1200 C TRP A 75 0.231 -3.626 10.938 1.00 41.42 C ATOM 1201 O TRP A 75 -0.623 -3.526 11.819 1.00 22.43 O ATOM 1202 CB TRP A 75 2.486 -3.595 12.021 1.00 54.11 C ATOM 1203 CG TRP A 75 2.580 -2.163 11.590 1.00 4.51 C ATOM 1204 CD1 TRP A 75 2.592 -1.691 10.308 1.00 20.24 C ATOM 1205 CD2 TRP A 75 2.679 -1.016 12.442 1.00 33.22 C ATOM 1206 NE1 TRP A 75 2.692 -0.321 10.312 1.00 13.34 N ATOM 1207 CE2 TRP A 75 2.746 0.118 11.609 1.00 34.30 C ATOM 1208 CE3 TRP A 75 2.715 -0.837 13.828 1.00 53.14 C ATOM 1209 CZ2 TRP A 75 2.848 1.410 12.118 1.00 75.24 C ATOM 1210 CZ3 TRP A 75 2.816 0.446 14.331 1.00 42.12 C ATOM 1211 CH2 TRP A 75 2.881 1.556 13.478 1.00 71.12 C ATOM 0 H TRP A 75 3.001 -4.306 9.706 1.00 25.33 H new ATOM 0 HA TRP A 75 1.256 -5.330 11.717 1.00 22.51 H new ATOM 0 HB2 TRP A 75 2.174 -3.633 13.065 1.00 54.11 H new ATOM 0 HB3 TRP A 75 3.475 -4.049 11.967 1.00 54.11 H new ATOM 0 HD1 TRP A 75 2.532 -2.305 9.422 1.00 20.24 H new ATOM 0 HE1 TRP A 75 2.721 0.273 9.484 1.00 13.34 H new ATOM 0 HE3 TRP A 75 2.665 -1.686 14.494 1.00 53.14 H new ATOM 0 HZ2 TRP A 75 2.899 2.267 11.462 1.00 75.24 H new ATOM 0 HZ3 TRP A 75 2.845 0.596 15.400 1.00 42.12 H new ATOM 0 HH2 TRP A 75 2.959 2.546 13.902 1.00 71.12 H new ATOM 1222 N TYR A 76 0.104 -3.063 9.741 1.00 32.12 N ATOM 1223 CA TYR A 76 -1.072 -2.277 9.387 1.00 10.24 C ATOM 1224 C TYR A 76 -1.884 -2.971 8.299 1.00 73.33 C ATOM 1225 O TYR A 76 -3.097 -3.144 8.427 1.00 53.44 O ATOM 1226 CB TYR A 76 -0.656 -0.882 8.918 1.00 52.25 C ATOM 1227 CG TYR A 76 -0.859 0.194 9.961 1.00 63.23 C ATOM 1228 CD1 TYR A 76 -2.000 0.216 10.752 1.00 74.10 C ATOM 1229 CD2 TYR A 76 0.093 1.188 10.156 1.00 73.44 C ATOM 1230 CE1 TYR A 76 -2.190 1.197 11.706 1.00 43.34 C ATOM 1231 CE2 TYR A 76 -0.087 2.172 11.108 1.00 55.11 C ATOM 1232 CZ TYR A 76 -1.230 2.173 11.880 1.00 74.10 C ATOM 1233 OH TYR A 76 -1.415 3.151 12.830 1.00 44.42 O ATOM 0 H TYR A 76 0.801 -3.136 9.000 1.00 32.12 H new ATOM 0 HA TYR A 76 -1.696 -2.183 10.276 1.00 10.24 H new ATOM 0 HB2 TYR A 76 0.395 -0.903 8.630 1.00 52.25 H new ATOM 0 HB3 TYR A 76 -1.226 -0.623 8.026 1.00 52.25 H new ATOM 0 HD1 TYR A 76 -2.752 -0.547 10.619 1.00 74.10 H new ATOM 0 HD2 TYR A 76 0.989 1.191 9.553 1.00 73.44 H new ATOM 0 HE1 TYR A 76 -3.084 1.200 12.312 1.00 43.34 H new ATOM 0 HE2 TYR A 76 0.663 2.937 11.247 1.00 55.11 H new ATOM 0 HH TYR A 76 -0.565 3.610 12.996 1.00 44.42 H new ATOM 1243 N LEU A 77 -1.207 -3.369 7.227 1.00 1.13 N ATOM 1244 CA LEU A 77 -1.864 -4.046 6.115 1.00 62.14 C ATOM 1245 C LEU A 77 -2.243 -5.474 6.494 1.00 62.15 C ATOM 1246 O LEU A 77 -2.994 -6.138 5.780 1.00 23.11 O ATOM 1247 CB LEU A 77 -0.950 -4.057 4.888 1.00 72.23 C ATOM 1248 CG LEU A 77 -0.685 -2.700 4.236 1.00 53.32 C ATOM 1249 CD1 LEU A 77 0.201 -2.860 3.010 1.00 0.15 C ATOM 1250 CD2 LEU A 77 -1.996 -2.022 3.863 1.00 20.14 C ATOM 0 H LEU A 77 -0.203 -3.234 7.105 1.00 1.13 H new ATOM 0 HA LEU A 77 -2.776 -3.499 5.876 1.00 62.14 H new ATOM 0 HB2 LEU A 77 0.007 -4.492 5.177 1.00 72.23 H new ATOM 0 HB3 LEU A 77 -1.388 -4.718 4.140 1.00 72.23 H new ATOM 0 HG LEU A 77 -0.164 -2.069 4.956 1.00 53.32 H new ATOM 0 HD11 LEU A 77 0.379 -1.883 2.559 1.00 0.15 H new ATOM 0 HD12 LEU A 77 1.153 -3.302 3.304 1.00 0.15 H new ATOM 0 HD13 LEU A 77 -0.293 -3.509 2.287 1.00 0.15 H new ATOM 0 HD21 LEU A 77 -1.788 -1.057 3.400 1.00 20.14 H new ATOM 0 HD22 LEU A 77 -2.544 -2.651 3.161 1.00 20.14 H new ATOM 0 HD23 LEU A 77 -2.596 -1.872 4.760 1.00 20.14 H new ATOM 1262 N GLY A 78 -1.719 -5.940 7.623 1.00 32.24 N ATOM 1263 CA GLY A 78 -2.016 -7.286 8.079 1.00 42.22 C ATOM 1264 C GLY A 78 -1.417 -8.348 7.178 1.00 1.12 C ATOM 1265 O GLY A 78 -1.171 -8.103 5.998 1.00 61.35 O ATOM 0 H GLY A 78 -1.094 -5.410 8.230 1.00 32.24 H new ATOM 0 HA2 GLY A 78 -1.635 -7.416 9.092 1.00 42.22 H new ATOM 0 HA3 GLY A 78 -3.097 -7.421 8.126 1.00 42.22 H new ATOM 1269 N ALA A 79 -1.180 -9.530 7.737 1.00 71.32 N ATOM 1270 CA ALA A 79 -0.606 -10.633 6.976 1.00 35.40 C ATOM 1271 C ALA A 79 -1.639 -11.248 6.037 1.00 42.11 C ATOM 1272 O ALA A 79 -1.291 -11.799 4.992 1.00 32.13 O ATOM 1273 CB ALA A 79 -0.051 -11.691 7.918 1.00 60.52 C ATOM 0 H ALA A 79 -1.377 -9.748 8.714 1.00 71.32 H new ATOM 0 HA ALA A 79 0.209 -10.238 6.369 1.00 35.40 H new ATOM 0 HB1 ALA A 79 0.375 -12.509 7.336 1.00 60.52 H new ATOM 0 HB2 ALA A 79 0.724 -11.250 8.545 1.00 60.52 H new ATOM 0 HB3 ALA A 79 -0.853 -12.074 8.549 1.00 60.52 H new ATOM 1279 N ARG A 80 -2.909 -11.150 6.416 1.00 41.04 N ATOM 1280 CA ARG A 80 -3.992 -11.698 5.608 1.00 64.23 C ATOM 1281 C ARG A 80 -3.923 -11.171 4.177 1.00 21.52 C ATOM 1282 O ARG A 80 -4.110 -11.922 3.219 1.00 22.40 O ATOM 1283 CB ARG A 80 -5.346 -11.349 6.227 1.00 51.52 C ATOM 1284 CG ARG A 80 -5.462 -11.730 7.694 1.00 42.53 C ATOM 1285 CD ARG A 80 -6.672 -12.616 7.945 1.00 5.02 C ATOM 1286 NE ARG A 80 -6.497 -13.952 7.383 1.00 72.44 N ATOM 1287 CZ ARG A 80 -7.397 -14.922 7.500 1.00 31.43 C ATOM 1288 NH1 ARG A 80 -8.529 -14.705 8.156 1.00 23.43 N ATOM 1289 NH2 ARG A 80 -7.166 -16.112 6.960 1.00 32.35 N ATOM 0 H ARG A 80 -3.213 -10.696 7.277 1.00 41.04 H new ATOM 0 HA ARG A 80 -3.881 -12.782 5.583 1.00 64.23 H new ATOM 0 HB2 ARG A 80 -5.518 -10.278 6.124 1.00 51.52 H new ATOM 0 HB3 ARG A 80 -6.133 -11.853 5.666 1.00 51.52 H new ATOM 0 HG2 ARG A 80 -4.557 -12.250 8.009 1.00 42.53 H new ATOM 0 HG3 ARG A 80 -5.538 -10.828 8.301 1.00 42.53 H new ATOM 0 HD2 ARG A 80 -6.848 -12.694 9.018 1.00 5.02 H new ATOM 0 HD3 ARG A 80 -7.557 -12.153 7.510 1.00 5.02 H new ATOM 0 HE ARG A 80 -5.637 -14.151 6.873 1.00 72.44 H new ATOM 0 HH11 ARG A 80 -8.710 -13.792 8.572 1.00 23.43 H new ATOM 0 HH12 ARG A 80 -9.218 -15.452 8.244 1.00 23.43 H new ATOM 0 HH21 ARG A 80 -6.297 -16.283 6.454 1.00 32.35 H new ATOM 0 HH22 ARG A 80 -7.858 -16.856 7.050 1.00 32.35 H new ATOM 1303 N CYS A 81 -3.654 -9.878 4.041 1.00 14.32 N ATOM 1304 CA CYS A 81 -3.562 -9.250 2.728 1.00 54.13 C ATOM 1305 C CYS A 81 -2.130 -9.289 2.206 1.00 60.15 C ATOM 1306 O CYS A 81 -1.182 -9.008 2.940 1.00 53.31 O ATOM 1307 CB CYS A 81 -4.054 -7.803 2.795 1.00 31.34 C ATOM 1308 SG CYS A 81 -5.618 -7.596 3.678 1.00 14.21 S ATOM 0 H CYS A 81 -3.496 -9.244 4.824 1.00 14.32 H new ATOM 0 HA CYS A 81 -4.196 -9.810 2.040 1.00 54.13 H new ATOM 0 HB2 CYS A 81 -3.292 -7.193 3.280 1.00 31.34 H new ATOM 0 HB3 CYS A 81 -4.169 -7.422 1.780 1.00 31.34 H new ATOM 0 HG CYS A 81 -5.950 -6.339 3.683 1.00 14.21 H new ATOM 1314 N HIS A 82 -1.979 -9.642 0.933 1.00 40.43 N ATOM 1315 CA HIS A 82 -0.661 -9.719 0.312 1.00 13.00 C ATOM 1316 C HIS A 82 -0.098 -8.324 0.058 1.00 24.12 C ATOM 1317 O HIS A 82 -0.783 -7.456 -0.483 1.00 34.32 O ATOM 1318 CB HIS A 82 -0.738 -10.498 -1.002 1.00 10.54 C ATOM 1319 CG HIS A 82 0.544 -10.493 -1.776 1.00 71.41 C ATOM 1320 ND1 HIS A 82 1.473 -11.509 -1.698 1.00 45.14 N ATOM 1321 CD2 HIS A 82 1.048 -9.590 -2.649 1.00 10.11 C ATOM 1322 CE1 HIS A 82 2.495 -11.229 -2.489 1.00 34.55 C ATOM 1323 NE2 HIS A 82 2.261 -10.070 -3.077 1.00 71.53 N ATOM 0 H HIS A 82 -2.752 -9.879 0.312 1.00 40.43 H new ATOM 0 HA HIS A 82 0.007 -10.242 0.997 1.00 13.00 H new ATOM 0 HB2 HIS A 82 -1.020 -11.529 -0.788 1.00 10.54 H new ATOM 0 HB3 HIS A 82 -1.528 -10.074 -1.621 1.00 10.54 H new ATOM 0 HD2 HIS A 82 0.583 -8.664 -2.953 1.00 10.11 H new ATOM 0 HE1 HIS A 82 3.372 -11.844 -2.630 1.00 34.55 H new ATOM 0 HE2 HIS A 82 2.881 -9.607 -3.741 1.00 71.53 H new ATOM 1331 N ILE A 83 1.154 -8.116 0.453 1.00 60.31 N ATOM 1332 CA ILE A 83 1.809 -6.827 0.268 1.00 71.34 C ATOM 1333 C ILE A 83 2.939 -6.926 -0.752 1.00 34.21 C ATOM 1334 O ILE A 83 3.635 -7.938 -0.824 1.00 41.12 O ATOM 1335 CB ILE A 83 2.375 -6.288 1.594 1.00 4.22 C ATOM 1336 CG1 ILE A 83 1.434 -6.627 2.752 1.00 61.44 C ATOM 1337 CG2 ILE A 83 2.593 -4.785 1.505 1.00 41.32 C ATOM 1338 CD1 ILE A 83 1.879 -6.056 4.080 1.00 61.52 C ATOM 0 H ILE A 83 1.735 -8.824 0.903 1.00 60.31 H new ATOM 0 HA ILE A 83 1.050 -6.137 -0.100 1.00 71.34 H new ATOM 0 HB ILE A 83 3.337 -6.765 1.781 1.00 4.22 H new ATOM 0 HG12 ILE A 83 0.437 -6.252 2.521 1.00 61.44 H new ATOM 0 HG13 ILE A 83 1.355 -7.711 2.840 1.00 61.44 H new ATOM 0 HG21 ILE A 83 2.993 -4.419 2.450 1.00 41.32 H new ATOM 0 HG22 ILE A 83 3.298 -4.566 0.703 1.00 41.32 H new ATOM 0 HG23 ILE A 83 1.644 -4.291 1.298 1.00 41.32 H new ATOM 0 HD11 ILE A 83 1.165 -6.336 4.854 1.00 61.52 H new ATOM 0 HD12 ILE A 83 2.863 -6.450 4.334 1.00 61.52 H new ATOM 0 HD13 ILE A 83 1.930 -4.969 4.010 1.00 61.52 H new ATOM 1350 N GLU A 84 3.115 -5.868 -1.537 1.00 13.45 N ATOM 1351 CA GLU A 84 4.161 -5.835 -2.551 1.00 62.54 C ATOM 1352 C GLU A 84 4.670 -4.412 -2.764 1.00 32.53 C ATOM 1353 O GLU A 84 4.031 -3.444 -2.351 1.00 72.22 O ATOM 1354 CB GLU A 84 3.639 -6.405 -3.872 1.00 41.54 C ATOM 1355 CG GLU A 84 4.661 -7.246 -4.619 1.00 12.41 C ATOM 1356 CD GLU A 84 4.244 -7.538 -6.047 1.00 73.51 C ATOM 1357 OE1 GLU A 84 3.025 -7.565 -6.316 1.00 52.53 O ATOM 1358 OE2 GLU A 84 5.137 -7.741 -6.896 1.00 24.33 O ATOM 0 H GLU A 84 2.546 -5.022 -1.490 1.00 13.45 H new ATOM 0 HA GLU A 84 4.990 -6.449 -2.200 1.00 62.54 H new ATOM 0 HB2 GLU A 84 2.757 -7.013 -3.672 1.00 41.54 H new ATOM 0 HB3 GLU A 84 3.320 -5.582 -4.512 1.00 41.54 H new ATOM 0 HG2 GLU A 84 5.620 -6.727 -4.623 1.00 12.41 H new ATOM 0 HG3 GLU A 84 4.810 -8.186 -4.088 1.00 12.41 H new ATOM 1365 N LYS A 85 5.825 -4.294 -3.410 1.00 13.43 N ATOM 1366 CA LYS A 85 6.421 -2.990 -3.679 1.00 30.44 C ATOM 1367 C LYS A 85 5.803 -2.355 -4.920 1.00 12.11 C ATOM 1368 O LYS A 85 5.664 -3.003 -5.957 1.00 5.02 O ATOM 1369 CB LYS A 85 7.934 -3.127 -3.862 1.00 61.03 C ATOM 1370 CG LYS A 85 8.624 -3.846 -2.716 1.00 14.24 C ATOM 1371 CD LYS A 85 10.107 -3.520 -2.664 1.00 52.34 C ATOM 1372 CE LYS A 85 10.922 -4.708 -2.179 1.00 23.31 C ATOM 1373 NZ LYS A 85 11.839 -4.335 -1.067 1.00 3.43 N ATOM 0 H LYS A 85 6.367 -5.085 -3.757 1.00 13.43 H new ATOM 0 HA LYS A 85 6.221 -2.343 -2.825 1.00 30.44 H new ATOM 0 HB2 LYS A 85 8.132 -3.665 -4.789 1.00 61.03 H new ATOM 0 HB3 LYS A 85 8.369 -2.134 -3.971 1.00 61.03 H new ATOM 0 HG2 LYS A 85 8.155 -3.563 -1.773 1.00 14.24 H new ATOM 0 HG3 LYS A 85 8.491 -4.922 -2.828 1.00 14.24 H new ATOM 0 HD2 LYS A 85 10.450 -3.222 -3.655 1.00 52.34 H new ATOM 0 HD3 LYS A 85 10.271 -2.670 -2.001 1.00 52.34 H new ATOM 0 HE2 LYS A 85 10.249 -5.498 -1.845 1.00 23.31 H new ATOM 0 HE3 LYS A 85 11.502 -5.113 -3.008 1.00 23.31 H new ATOM 0 HZ1 LYS A 85 12.377 -5.172 -0.765 1.00 3.43 H new ATOM 0 HZ2 LYS A 85 12.498 -3.599 -1.392 1.00 3.43 H new ATOM 0 HZ3 LYS A 85 11.284 -3.972 -0.266 1.00 3.43 H new ATOM 1387 N ALA A 86 5.434 -1.083 -4.807 1.00 23.02 N ATOM 1388 CA ALA A 86 4.835 -0.360 -5.921 1.00 54.41 C ATOM 1389 C ALA A 86 5.903 0.304 -6.784 1.00 30.15 C ATOM 1390 O ALA A 86 7.021 0.547 -6.328 1.00 71.33 O ATOM 1391 CB ALA A 86 3.849 0.679 -5.407 1.00 31.04 C ATOM 0 H ALA A 86 5.540 -0.532 -3.955 1.00 23.02 H new ATOM 0 HA ALA A 86 4.299 -1.079 -6.541 1.00 54.41 H new ATOM 0 HB1 ALA A 86 3.409 1.212 -6.250 1.00 31.04 H new ATOM 0 HB2 ALA A 86 3.061 0.184 -4.840 1.00 31.04 H new ATOM 0 HB3 ALA A 86 4.370 1.387 -4.762 1.00 31.04 H new ATOM 1397 N LYS A 87 5.553 0.595 -8.032 1.00 34.52 N ATOM 1398 CA LYS A 87 6.481 1.231 -8.959 1.00 73.31 C ATOM 1399 C LYS A 87 5.773 2.292 -9.796 1.00 34.45 C ATOM 1400 O LYS A 87 4.618 2.121 -10.184 1.00 61.35 O ATOM 1401 CB LYS A 87 7.116 0.183 -9.876 1.00 52.13 C ATOM 1402 CG LYS A 87 6.171 -0.345 -10.942 1.00 43.22 C ATOM 1403 CD LYS A 87 6.466 -1.797 -11.278 1.00 74.14 C ATOM 1404 CE LYS A 87 5.774 -2.223 -12.564 1.00 51.34 C ATOM 1405 NZ LYS A 87 6.737 -2.364 -13.692 1.00 12.14 N ATOM 0 H LYS A 87 4.632 0.400 -8.425 1.00 34.52 H new ATOM 0 HA LYS A 87 7.263 1.716 -8.375 1.00 73.31 H new ATOM 0 HB2 LYS A 87 7.990 0.618 -10.360 1.00 52.13 H new ATOM 0 HB3 LYS A 87 7.470 -0.651 -9.270 1.00 52.13 H new ATOM 0 HG2 LYS A 87 5.142 -0.253 -10.595 1.00 43.22 H new ATOM 0 HG3 LYS A 87 6.260 0.263 -11.842 1.00 43.22 H new ATOM 0 HD2 LYS A 87 7.542 -1.937 -11.379 1.00 74.14 H new ATOM 0 HD3 LYS A 87 6.137 -2.435 -10.458 1.00 74.14 H new ATOM 0 HE2 LYS A 87 5.261 -3.171 -12.404 1.00 51.34 H new ATOM 0 HE3 LYS A 87 5.012 -1.489 -12.827 1.00 51.34 H new ATOM 0 HZ1 LYS A 87 6.226 -2.655 -14.550 1.00 12.14 H new ATOM 0 HZ2 LYS A 87 7.208 -1.453 -13.862 1.00 12.14 H new ATOM 0 HZ3 LYS A 87 7.450 -3.083 -13.452 1.00 12.14 H new ATOM 1419 N GLY A 88 6.474 3.388 -10.070 1.00 74.30 N ATOM 1420 CA GLY A 88 5.896 4.459 -10.860 1.00 12.31 C ATOM 1421 C GLY A 88 5.634 5.708 -10.041 1.00 25.54 C ATOM 1422 O GLY A 88 6.139 5.845 -8.925 1.00 52.15 O ATOM 0 H GLY A 88 7.431 3.553 -9.759 1.00 74.30 H new ATOM 0 HA2 GLY A 88 6.568 4.702 -11.683 1.00 12.31 H new ATOM 0 HA3 GLY A 88 4.961 4.116 -11.303 1.00 12.31 H new ATOM 1426 N THR A 89 4.845 6.623 -10.594 1.00 74.52 N ATOM 1427 CA THR A 89 4.520 7.867 -9.909 1.00 55.00 C ATOM 1428 C THR A 89 3.107 7.827 -9.337 1.00 41.12 C ATOM 1429 O THR A 89 2.359 6.877 -9.571 1.00 2.43 O ATOM 1430 CB THR A 89 4.645 9.078 -10.853 1.00 72.53 C ATOM 1431 OG1 THR A 89 3.538 9.107 -11.762 1.00 22.13 O ATOM 1432 CG2 THR A 89 5.948 9.021 -11.636 1.00 3.04 C ATOM 0 H THR A 89 4.419 6.526 -11.516 1.00 74.52 H new ATOM 0 HA THR A 89 5.236 7.975 -9.094 1.00 55.00 H new ATOM 0 HB THR A 89 4.642 9.984 -10.248 1.00 72.53 H new ATOM 0 HG1 THR A 89 3.624 9.881 -12.357 1.00 22.13 H new ATOM 0 HG21 THR A 89 6.014 9.886 -12.296 1.00 3.04 H new ATOM 0 HG22 THR A 89 6.789 9.028 -10.943 1.00 3.04 H new ATOM 0 HG23 THR A 89 5.975 8.108 -12.231 1.00 3.04 H new ATOM 1440 N ASP A 90 2.748 8.864 -8.588 1.00 32.40 N ATOM 1441 CA ASP A 90 1.423 8.948 -7.984 1.00 21.41 C ATOM 1442 C ASP A 90 0.333 8.803 -9.042 1.00 3.25 C ATOM 1443 O ASP A 90 -0.711 8.202 -8.792 1.00 23.45 O ATOM 1444 CB ASP A 90 1.260 10.276 -7.244 1.00 1.22 C ATOM 1445 CG ASP A 90 0.922 11.421 -8.178 1.00 13.41 C ATOM 1446 OD1 ASP A 90 1.724 11.697 -9.094 1.00 43.04 O ATOM 1447 OD2 ASP A 90 -0.146 12.042 -7.993 1.00 31.41 O ATOM 0 H ASP A 90 3.355 9.658 -8.385 1.00 32.40 H new ATOM 0 HA ASP A 90 1.323 8.129 -7.271 1.00 21.41 H new ATOM 0 HB2 ASP A 90 0.474 10.177 -6.495 1.00 1.22 H new ATOM 0 HB3 ASP A 90 2.182 10.507 -6.710 1.00 1.22 H new ATOM 1452 N GLN A 91 0.584 9.360 -10.222 1.00 61.21 N ATOM 1453 CA GLN A 91 -0.377 9.294 -11.317 1.00 0.13 C ATOM 1454 C GLN A 91 -0.500 7.870 -11.849 1.00 22.05 C ATOM 1455 O GLN A 91 -1.583 7.435 -12.238 1.00 31.35 O ATOM 1456 CB GLN A 91 0.039 10.239 -12.446 1.00 34.33 C ATOM 1457 CG GLN A 91 -1.035 10.431 -13.504 1.00 53.23 C ATOM 1458 CD GLN A 91 -2.387 10.773 -12.909 1.00 1.11 C ATOM 1459 OE1 GLN A 91 -3.412 10.220 -13.308 1.00 21.51 O ATOM 1460 NE2 GLN A 91 -2.396 11.690 -11.948 1.00 71.31 N ATOM 0 H GLN A 91 1.444 9.862 -10.444 1.00 61.21 H new ATOM 0 HA GLN A 91 -1.349 9.604 -10.933 1.00 0.13 H new ATOM 0 HB2 GLN A 91 0.296 11.209 -12.021 1.00 34.33 H new ATOM 0 HB3 GLN A 91 0.940 9.850 -12.921 1.00 34.33 H new ATOM 0 HG2 GLN A 91 -0.731 11.226 -14.185 1.00 53.23 H new ATOM 0 HG3 GLN A 91 -1.123 9.520 -14.096 1.00 53.23 H new ATOM 0 HE21 GLN A 91 -1.523 12.123 -11.648 1.00 71.31 H new ATOM 0 HE22 GLN A 91 -3.276 11.961 -11.510 1.00 71.31 H new ATOM 1469 N GLN A 92 0.618 7.150 -11.862 1.00 55.33 N ATOM 1470 CA GLN A 92 0.634 5.776 -12.348 1.00 21.52 C ATOM 1471 C GLN A 92 -0.138 4.857 -11.407 1.00 32.41 C ATOM 1472 O GLN A 92 -0.859 3.963 -11.850 1.00 10.45 O ATOM 1473 CB GLN A 92 2.074 5.281 -12.494 1.00 44.30 C ATOM 1474 CG GLN A 92 2.664 5.525 -13.874 1.00 1.13 C ATOM 1475 CD GLN A 92 3.490 4.355 -14.370 1.00 60.15 C ATOM 1476 OE1 GLN A 92 2.951 3.369 -14.873 1.00 72.34 O ATOM 1477 NE2 GLN A 92 4.807 4.458 -14.232 1.00 54.21 N ATOM 0 H GLN A 92 1.523 7.495 -11.542 1.00 55.33 H new ATOM 0 HA GLN A 92 0.150 5.757 -13.324 1.00 21.52 H new ATOM 0 HB2 GLN A 92 2.697 5.776 -11.749 1.00 44.30 H new ATOM 0 HB3 GLN A 92 2.106 4.213 -12.278 1.00 44.30 H new ATOM 0 HG2 GLN A 92 1.857 5.721 -14.580 1.00 1.13 H new ATOM 0 HG3 GLN A 92 3.287 6.419 -13.846 1.00 1.13 H new ATOM 0 HE21 GLN A 92 5.212 5.293 -13.809 1.00 54.21 H new ATOM 0 HE22 GLN A 92 5.414 3.702 -14.549 1.00 54.21 H new ATOM 1486 N ASN A 93 0.018 5.082 -10.107 1.00 4.54 N ATOM 1487 CA ASN A 93 -0.664 4.274 -9.103 1.00 22.22 C ATOM 1488 C ASN A 93 -2.117 4.711 -8.948 1.00 11.54 C ATOM 1489 O ASN A 93 -3.006 3.887 -8.734 1.00 53.10 O ATOM 1490 CB ASN A 93 0.058 4.377 -7.758 1.00 1.12 C ATOM 1491 CG ASN A 93 1.341 3.569 -7.727 1.00 2.43 C ATOM 1492 OD1 ASN A 93 1.515 2.692 -6.880 1.00 43.44 O ATOM 1493 ND2 ASN A 93 2.247 3.863 -8.652 1.00 63.41 N ATOM 0 H ASN A 93 0.611 5.818 -9.724 1.00 4.54 H new ATOM 0 HA ASN A 93 -0.649 3.236 -9.437 1.00 22.22 H new ATOM 0 HB2 ASN A 93 0.285 5.423 -7.550 1.00 1.12 H new ATOM 0 HB3 ASN A 93 -0.605 4.031 -6.965 1.00 1.12 H new ATOM 0 HD21 ASN A 93 3.130 3.354 -8.681 1.00 63.41 H new ATOM 0 HD22 ASN A 93 2.060 4.598 -9.334 1.00 63.41 H new ATOM 1500 N LYS A 94 -2.352 6.015 -9.057 1.00 24.21 N ATOM 1501 CA LYS A 94 -3.696 6.564 -8.931 1.00 74.10 C ATOM 1502 C LYS A 94 -4.612 6.015 -10.020 1.00 53.45 C ATOM 1503 O LYS A 94 -5.730 5.582 -9.743 1.00 51.14 O ATOM 1504 CB LYS A 94 -3.655 8.092 -9.006 1.00 63.25 C ATOM 1505 CG LYS A 94 -4.993 8.752 -8.722 1.00 70.43 C ATOM 1506 CD LYS A 94 -4.821 10.200 -8.297 1.00 14.21 C ATOM 1507 CE LYS A 94 -5.897 11.090 -8.901 1.00 62.25 C ATOM 1508 NZ LYS A 94 -5.579 12.535 -8.735 1.00 15.13 N ATOM 0 H LYS A 94 -1.627 6.711 -9.233 1.00 24.21 H new ATOM 0 HA LYS A 94 -4.094 6.265 -7.961 1.00 74.10 H new ATOM 0 HB2 LYS A 94 -2.918 8.463 -8.293 1.00 63.25 H new ATOM 0 HB3 LYS A 94 -3.316 8.390 -9.998 1.00 63.25 H new ATOM 0 HG2 LYS A 94 -5.619 8.705 -9.613 1.00 70.43 H new ATOM 0 HG3 LYS A 94 -5.512 8.201 -7.938 1.00 70.43 H new ATOM 0 HD2 LYS A 94 -4.859 10.268 -7.210 1.00 14.21 H new ATOM 0 HD3 LYS A 94 -3.838 10.556 -8.605 1.00 14.21 H new ATOM 0 HE2 LYS A 94 -6.004 10.861 -9.961 1.00 62.25 H new ATOM 0 HE3 LYS A 94 -6.855 10.872 -8.429 1.00 62.25 H new ATOM 0 HZ1 LYS A 94 -6.336 13.108 -9.160 1.00 15.13 H new ATOM 0 HZ2 LYS A 94 -5.501 12.759 -7.722 1.00 15.13 H new ATOM 0 HZ3 LYS A 94 -4.677 12.748 -9.207 1.00 15.13 H new ATOM 1522 N GLU A 95 -4.130 6.036 -11.259 1.00 42.40 N ATOM 1523 CA GLU A 95 -4.906 5.540 -12.389 1.00 54.11 C ATOM 1524 C GLU A 95 -5.020 4.019 -12.345 1.00 60.00 C ATOM 1525 O GLU A 95 -6.049 3.452 -12.712 1.00 32.40 O ATOM 1526 CB GLU A 95 -4.265 5.977 -13.708 1.00 72.40 C ATOM 1527 CG GLU A 95 -4.417 7.461 -13.997 1.00 31.41 C ATOM 1528 CD GLU A 95 -5.604 7.762 -14.891 1.00 13.43 C ATOM 1529 OE1 GLU A 95 -6.725 7.907 -14.359 1.00 20.14 O ATOM 1530 OE2 GLU A 95 -5.413 7.854 -16.121 1.00 72.32 O ATOM 0 H GLU A 95 -3.206 6.391 -11.505 1.00 42.40 H new ATOM 0 HA GLU A 95 -5.908 5.964 -12.323 1.00 54.11 H new ATOM 0 HB2 GLU A 95 -3.204 5.726 -13.687 1.00 72.40 H new ATOM 0 HB3 GLU A 95 -4.711 5.409 -14.525 1.00 72.40 H new ATOM 0 HG2 GLU A 95 -4.529 8.001 -13.057 1.00 31.41 H new ATOM 0 HG3 GLU A 95 -3.507 7.830 -14.470 1.00 31.41 H new ATOM 1537 N TYR A 96 -3.955 3.365 -11.894 1.00 52.22 N ATOM 1538 CA TYR A 96 -3.933 1.910 -11.805 1.00 32.03 C ATOM 1539 C TYR A 96 -5.036 1.404 -10.880 1.00 10.34 C ATOM 1540 O TYR A 96 -5.852 0.568 -11.268 1.00 32.42 O ATOM 1541 CB TYR A 96 -2.571 1.430 -11.302 1.00 63.53 C ATOM 1542 CG TYR A 96 -2.406 -0.073 -11.344 1.00 5.25 C ATOM 1543 CD1 TYR A 96 -1.971 -0.713 -12.498 1.00 2.54 C ATOM 1544 CD2 TYR A 96 -2.683 -0.853 -10.227 1.00 54.44 C ATOM 1545 CE1 TYR A 96 -1.819 -2.085 -12.540 1.00 13.12 C ATOM 1546 CE2 TYR A 96 -2.533 -2.226 -10.260 1.00 53.40 C ATOM 1547 CZ TYR A 96 -2.102 -2.837 -11.419 1.00 24.05 C ATOM 1548 OH TYR A 96 -1.951 -4.204 -11.456 1.00 65.30 O ATOM 0 H TYR A 96 -3.096 3.820 -11.585 1.00 52.22 H new ATOM 0 HA TYR A 96 -4.107 1.508 -12.803 1.00 32.03 H new ATOM 0 HB2 TYR A 96 -1.788 1.890 -11.904 1.00 63.53 H new ATOM 0 HB3 TYR A 96 -2.429 1.774 -10.278 1.00 63.53 H new ATOM 0 HD1 TYR A 96 -1.748 -0.127 -13.378 1.00 2.54 H new ATOM 0 HD2 TYR A 96 -3.021 -0.378 -9.318 1.00 54.44 H new ATOM 0 HE1 TYR A 96 -1.480 -2.566 -13.446 1.00 13.12 H new ATOM 0 HE2 TYR A 96 -2.752 -2.817 -9.383 1.00 53.40 H new ATOM 0 HH TYR A 96 -2.191 -4.583 -10.585 1.00 65.30 H new ATOM 1558 N CYS A 97 -5.054 1.919 -9.655 1.00 63.40 N ATOM 1559 CA CYS A 97 -6.056 1.520 -8.673 1.00 2.22 C ATOM 1560 C CYS A 97 -7.462 1.838 -9.171 1.00 62.20 C ATOM 1561 O CYS A 97 -8.409 1.099 -8.900 1.00 43.44 O ATOM 1562 CB CYS A 97 -5.802 2.226 -7.340 1.00 33.21 C ATOM 1563 SG CYS A 97 -4.172 1.898 -6.629 1.00 74.31 S ATOM 0 H CYS A 97 -4.387 2.613 -9.319 1.00 63.40 H new ATOM 0 HA CYS A 97 -5.977 0.443 -8.526 1.00 2.22 H new ATOM 0 HB2 CYS A 97 -5.914 3.301 -7.483 1.00 33.21 H new ATOM 0 HB3 CYS A 97 -6.566 1.918 -6.627 1.00 33.21 H new ATOM 0 HG CYS A 97 -3.274 2.589 -7.266 1.00 74.31 H new ATOM 1569 N SER A 98 -7.591 2.942 -9.899 1.00 44.41 N ATOM 1570 CA SER A 98 -8.882 3.361 -10.431 1.00 13.34 C ATOM 1571 C SER A 98 -9.231 2.577 -11.692 1.00 44.32 C ATOM 1572 O SER A 98 -10.370 2.603 -12.159 1.00 24.10 O ATOM 1573 CB SER A 98 -8.870 4.861 -10.735 1.00 72.42 C ATOM 1574 OG SER A 98 -10.052 5.253 -11.411 1.00 53.11 O ATOM 0 H SER A 98 -6.817 3.563 -10.134 1.00 44.41 H new ATOM 0 HA SER A 98 -9.641 3.157 -9.676 1.00 13.34 H new ATOM 0 HB2 SER A 98 -8.775 5.423 -9.806 1.00 72.42 H new ATOM 0 HB3 SER A 98 -8.000 5.105 -11.345 1.00 72.42 H new ATOM 0 HG SER A 98 -10.487 4.463 -11.795 1.00 53.11 H new ATOM 1580 N LYS A 99 -8.241 1.880 -12.240 1.00 41.42 N ATOM 1581 CA LYS A 99 -8.440 1.087 -13.447 1.00 71.21 C ATOM 1582 C LYS A 99 -9.511 0.023 -13.228 1.00 63.40 C ATOM 1583 O LYS A 99 -10.098 -0.485 -14.183 1.00 25.31 O ATOM 1584 CB LYS A 99 -7.127 0.425 -13.869 1.00 64.34 C ATOM 1585 CG LYS A 99 -7.170 -0.178 -15.263 1.00 44.51 C ATOM 1586 CD LYS A 99 -7.014 -1.689 -15.223 1.00 13.53 C ATOM 1587 CE LYS A 99 -5.602 -2.093 -14.829 1.00 31.34 C ATOM 1588 NZ LYS A 99 -5.199 -3.382 -15.456 1.00 60.14 N ATOM 0 H LYS A 99 -7.292 1.848 -11.867 1.00 41.42 H new ATOM 0 HA LYS A 99 -8.774 1.756 -14.240 1.00 71.21 H new ATOM 0 HB2 LYS A 99 -6.327 1.164 -13.827 1.00 64.34 H new ATOM 0 HB3 LYS A 99 -6.877 -0.357 -13.152 1.00 64.34 H new ATOM 0 HG2 LYS A 99 -8.115 0.078 -15.742 1.00 44.51 H new ATOM 0 HG3 LYS A 99 -6.376 0.254 -15.872 1.00 44.51 H new ATOM 0 HD2 LYS A 99 -7.726 -2.111 -14.513 1.00 13.53 H new ATOM 0 HD3 LYS A 99 -7.254 -2.107 -16.201 1.00 13.53 H new ATOM 0 HE2 LYS A 99 -4.904 -1.310 -15.126 1.00 31.34 H new ATOM 0 HE3 LYS A 99 -5.539 -2.181 -13.744 1.00 31.34 H new ATOM 0 HZ1 LYS A 99 -4.231 -3.623 -15.163 1.00 60.14 H new ATOM 0 HZ2 LYS A 99 -5.850 -4.134 -15.152 1.00 60.14 H new ATOM 0 HZ3 LYS A 99 -5.235 -3.291 -16.491 1.00 60.14 H new ATOM 1602 N GLU A 100 -9.760 -0.308 -11.965 1.00 31.41 N ATOM 1603 CA GLU A 100 -10.761 -1.312 -11.622 1.00 50.12 C ATOM 1604 C GLU A 100 -12.171 -0.770 -11.840 1.00 30.25 C ATOM 1605 O GLU A 100 -13.133 -1.532 -11.933 1.00 2.32 O ATOM 1606 CB GLU A 100 -10.592 -1.757 -10.168 1.00 53.10 C ATOM 1607 CG GLU A 100 -9.149 -2.027 -9.778 1.00 21.22 C ATOM 1608 CD GLU A 100 -8.396 -2.811 -10.835 1.00 62.10 C ATOM 1609 OE1 GLU A 100 -8.491 -4.056 -10.829 1.00 61.44 O ATOM 1610 OE2 GLU A 100 -7.711 -2.180 -11.667 1.00 75.02 O ATOM 0 H GLU A 100 -9.283 0.104 -11.163 1.00 31.41 H new ATOM 0 HA GLU A 100 -10.616 -2.172 -12.276 1.00 50.12 H new ATOM 0 HB2 GLU A 100 -10.999 -0.988 -9.512 1.00 53.10 H new ATOM 0 HB3 GLU A 100 -11.179 -2.660 -10.003 1.00 53.10 H new ATOM 0 HG2 GLU A 100 -8.640 -1.079 -9.603 1.00 21.22 H new ATOM 0 HG3 GLU A 100 -9.128 -2.578 -8.838 1.00 21.22 H new ATOM 1617 N GLY A 101 -12.285 0.552 -11.919 1.00 12.24 N ATOM 1618 CA GLY A 101 -13.580 1.174 -12.123 1.00 53.04 C ATOM 1619 C GLY A 101 -14.331 1.391 -10.825 1.00 34.53 C ATOM 1620 O GLY A 101 -15.423 1.957 -10.819 1.00 13.15 O ATOM 0 H GLY A 101 -11.504 1.203 -11.845 1.00 12.24 H new ATOM 0 HA2 GLY A 101 -13.444 2.132 -12.625 1.00 53.04 H new ATOM 0 HA3 GLY A 101 -14.179 0.549 -12.785 1.00 53.04 H new ATOM 1624 N ASN A 102 -13.746 0.937 -9.721 1.00 65.44 N ATOM 1625 CA ASN A 102 -14.368 1.082 -8.410 1.00 61.35 C ATOM 1626 C ASN A 102 -13.359 1.585 -7.382 1.00 55.12 C ATOM 1627 O ASN A 102 -12.308 0.977 -7.179 1.00 3.25 O ATOM 1628 CB ASN A 102 -14.957 -0.254 -7.952 1.00 12.21 C ATOM 1629 CG ASN A 102 -16.409 -0.131 -7.530 1.00 42.15 C ATOM 1630 OD1 ASN A 102 -17.181 0.614 -8.134 1.00 73.55 O ATOM 1631 ND2 ASN A 102 -16.786 -0.863 -6.489 1.00 12.13 N ATOM 0 H ASN A 102 -12.842 0.465 -9.708 1.00 65.44 H new ATOM 0 HA ASN A 102 -15.170 1.815 -8.495 1.00 61.35 H new ATOM 0 HB2 ASN A 102 -14.877 -0.980 -8.761 1.00 12.21 H new ATOM 0 HB3 ASN A 102 -14.370 -0.640 -7.118 1.00 12.21 H new ATOM 0 HD21 ASN A 102 -17.750 -0.822 -6.159 1.00 12.13 H new ATOM 0 HD22 ASN A 102 -16.111 -1.467 -6.019 1.00 12.13 H new ATOM 1638 N LEU A 103 -13.687 2.699 -6.736 1.00 74.34 N ATOM 1639 CA LEU A 103 -12.811 3.285 -5.728 1.00 30.51 C ATOM 1640 C LEU A 103 -13.283 2.927 -4.322 1.00 61.43 C ATOM 1641 O LEU A 103 -14.413 3.230 -3.939 1.00 55.41 O ATOM 1642 CB LEU A 103 -12.760 4.805 -5.889 1.00 61.24 C ATOM 1643 CG LEU A 103 -11.400 5.394 -6.266 1.00 53.43 C ATOM 1644 CD1 LEU A 103 -10.442 5.322 -5.088 1.00 22.13 C ATOM 1645 CD2 LEU A 103 -10.821 4.670 -7.473 1.00 2.14 C ATOM 0 H LEU A 103 -14.553 3.214 -6.893 1.00 74.34 H new ATOM 0 HA LEU A 103 -11.810 2.877 -5.871 1.00 30.51 H new ATOM 0 HB2 LEU A 103 -13.483 5.094 -6.652 1.00 61.24 H new ATOM 0 HB3 LEU A 103 -13.084 5.261 -4.953 1.00 61.24 H new ATOM 0 HG LEU A 103 -11.540 6.442 -6.530 1.00 53.43 H new ATOM 0 HD11 LEU A 103 -9.480 5.746 -5.375 1.00 22.13 H new ATOM 0 HD12 LEU A 103 -10.852 5.887 -4.251 1.00 22.13 H new ATOM 0 HD13 LEU A 103 -10.307 4.282 -4.792 1.00 22.13 H new ATOM 0 HD21 LEU A 103 -9.853 5.102 -7.727 1.00 2.14 H new ATOM 0 HD22 LEU A 103 -10.696 3.613 -7.238 1.00 2.14 H new ATOM 0 HD23 LEU A 103 -11.499 4.775 -8.320 1.00 2.14 H new ATOM 1657 N LEU A 104 -12.409 2.281 -3.557 1.00 54.51 N ATOM 1658 CA LEU A 104 -12.735 1.884 -2.192 1.00 35.11 C ATOM 1659 C LEU A 104 -12.392 2.995 -1.205 1.00 33.35 C ATOM 1660 O LEU A 104 -12.989 3.092 -0.133 1.00 14.31 O ATOM 1661 CB LEU A 104 -11.984 0.605 -1.819 1.00 72.41 C ATOM 1662 CG LEU A 104 -12.496 -0.139 -0.585 1.00 74.22 C ATOM 1663 CD1 LEU A 104 -13.965 -0.499 -0.750 1.00 2.31 C ATOM 1664 CD2 LEU A 104 -11.665 -1.388 -0.332 1.00 22.21 C ATOM 0 H LEU A 104 -11.470 2.021 -3.859 1.00 54.51 H new ATOM 0 HA LEU A 104 -13.808 1.696 -2.141 1.00 35.11 H new ATOM 0 HB2 LEU A 104 -12.021 -0.075 -2.670 1.00 72.41 H new ATOM 0 HB3 LEU A 104 -10.936 0.857 -1.658 1.00 72.41 H new ATOM 0 HG LEU A 104 -12.399 0.519 0.278 1.00 74.22 H new ATOM 0 HD11 LEU A 104 -14.312 -1.028 0.138 1.00 2.31 H new ATOM 0 HD12 LEU A 104 -14.550 0.411 -0.882 1.00 2.31 H new ATOM 0 HD13 LEU A 104 -14.087 -1.139 -1.624 1.00 2.31 H new ATOM 0 HD21 LEU A 104 -12.044 -1.905 0.550 1.00 22.21 H new ATOM 0 HD22 LEU A 104 -11.730 -2.049 -1.196 1.00 22.21 H new ATOM 0 HD23 LEU A 104 -10.625 -1.106 -0.168 1.00 22.21 H new ATOM 1676 N MET A 105 -11.428 3.831 -1.575 1.00 10.15 N ATOM 1677 CA MET A 105 -11.008 4.938 -0.722 1.00 71.44 C ATOM 1678 C MET A 105 -10.152 5.930 -1.503 1.00 22.04 C ATOM 1679 O MET A 105 -9.276 5.536 -2.271 1.00 45.24 O ATOM 1680 CB MET A 105 -10.229 4.412 0.485 1.00 42.42 C ATOM 1681 CG MET A 105 -9.288 5.439 1.095 1.00 53.35 C ATOM 1682 SD MET A 105 -9.120 5.253 2.880 1.00 65.30 S ATOM 1683 CE MET A 105 -7.663 4.215 2.976 1.00 44.33 C ATOM 0 H MET A 105 -10.923 3.764 -2.459 1.00 10.15 H new ATOM 0 HA MET A 105 -11.901 5.454 -0.371 1.00 71.44 H new ATOM 0 HB2 MET A 105 -10.935 4.081 1.246 1.00 42.42 H new ATOM 0 HB3 MET A 105 -9.653 3.538 0.182 1.00 42.42 H new ATOM 0 HG2 MET A 105 -8.306 5.348 0.630 1.00 53.35 H new ATOM 0 HG3 MET A 105 -9.655 6.441 0.871 1.00 53.35 H new ATOM 0 HE1 MET A 105 -7.274 4.227 3.994 1.00 44.33 H new ATOM 0 HE2 MET A 105 -7.925 3.194 2.700 1.00 44.33 H new ATOM 0 HE3 MET A 105 -6.902 4.592 2.293 1.00 44.33 H new ATOM 1693 N GLU A 106 -10.412 7.218 -1.299 1.00 72.32 N ATOM 1694 CA GLU A 106 -9.665 8.265 -1.985 1.00 51.14 C ATOM 1695 C GLU A 106 -9.206 9.339 -1.003 1.00 23.51 C ATOM 1696 O GLU A 106 -10.003 10.157 -0.543 1.00 74.42 O ATOM 1697 CB GLU A 106 -10.522 8.897 -3.084 1.00 41.14 C ATOM 1698 CG GLU A 106 -9.761 9.161 -4.373 1.00 53.10 C ATOM 1699 CD GLU A 106 -10.619 9.830 -5.430 1.00 4.12 C ATOM 1700 OE1 GLU A 106 -10.879 11.045 -5.300 1.00 63.21 O ATOM 1701 OE2 GLU A 106 -11.029 9.140 -6.386 1.00 35.23 O ATOM 0 H GLU A 106 -11.134 7.561 -0.665 1.00 72.32 H new ATOM 0 HA GLU A 106 -8.784 7.810 -2.437 1.00 51.14 H new ATOM 0 HB2 GLU A 106 -11.366 8.241 -3.298 1.00 41.14 H new ATOM 0 HB3 GLU A 106 -10.934 9.837 -2.716 1.00 41.14 H new ATOM 0 HG2 GLU A 106 -8.898 9.791 -4.159 1.00 53.10 H new ATOM 0 HG3 GLU A 106 -9.378 8.218 -4.764 1.00 53.10 H new ATOM 1708 N CYS A 107 -7.916 9.328 -0.685 1.00 41.35 N ATOM 1709 CA CYS A 107 -7.349 10.300 0.244 1.00 74.34 C ATOM 1710 C CYS A 107 -5.866 10.518 -0.036 1.00 10.33 C ATOM 1711 O CYS A 107 -5.290 9.884 -0.918 1.00 60.24 O ATOM 1712 CB CYS A 107 -7.546 9.831 1.686 1.00 4.32 C ATOM 1713 SG CYS A 107 -9.061 10.442 2.461 1.00 4.42 S ATOM 0 H CYS A 107 -7.243 8.657 -1.056 1.00 41.35 H new ATOM 0 HA CYS A 107 -7.869 11.248 0.104 1.00 74.34 H new ATOM 0 HB2 CYS A 107 -7.555 8.741 1.704 1.00 4.32 H new ATOM 0 HB3 CYS A 107 -6.691 10.152 2.281 1.00 4.32 H new ATOM 0 HG CYS A 107 -10.004 10.517 1.570 1.00 4.42 H new ATOM 1719 N GLY A 108 -5.253 11.423 0.722 1.00 31.54 N ATOM 1720 CA GLY A 108 -3.843 11.710 0.540 1.00 45.42 C ATOM 1721 C GLY A 108 -3.594 12.706 -0.576 1.00 64.52 C ATOM 1722 O GLY A 108 -4.528 13.145 -1.245 1.00 74.32 O ATOM 0 H GLY A 108 -5.708 11.962 1.459 1.00 31.54 H new ATOM 0 HA2 GLY A 108 -3.432 12.101 1.471 1.00 45.42 H new ATOM 0 HA3 GLY A 108 -3.312 10.784 0.321 1.00 45.42 H new