USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 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 89 THR OG1 : rot -96:sc= 1 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= -1.7! F(o=-1.6,f=-0.7!) USER MOD Single : A 12 GLN : amide:sc= -0.665 X(o=-0.67,f=-0.55) USER MOD Single : A 14 HIS : no HD1:sc= -1.03 X(o=-1,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -25:sc= 0.0343 USER MOD Single : A 22 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.41) USER MOD Single : A 23 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.16) 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+ -169:sc= 1.09 (180deg=0.895) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 0:sc= -0.948 USER MOD Single : A 57 HIS : no HE2:sc= -2.77 K(o=-2.8,f=-3.7) USER MOD Single : A 59 GLN :FLIP amide:sc= -4.32! C(o=-5.5!,f=-4.3!) USER MOD Single : A 63 ASN : amide:sc= -1.97 K(o=-2,f=-5.2!) 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= -2.59 X(o=-2.6,f=-2.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 71 ASN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= -0.907 (180deg=-1.39) USER MOD Single : A 76 TYR OH : rot 130:sc= -0.516 USER MOD Single : A 81 CYS SG : rot -98:sc= 0.789 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.742! F(o=-2.5,f=-0.74!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 165:sc= 0 USER MOD Single : A 97 CYS SG : rot 75:sc= -0.449 USER MOD Single : A 98 SER OG : rot -27:sc= 0.0491 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.9!) USER MOD Single : A 105 MET CE :methyl 159:sc= -1.84 (180deg=-2.7) USER MOD Single : A 107 CYS SG : rot 25:sc= 0.383 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.288 -2.851 1.803 1.00 4.01 N ATOM 148 CA GLN A 12 15.229 -1.757 2.766 1.00 75.33 C ATOM 149 C GLN A 12 13.832 -1.146 2.808 1.00 1.44 C ATOM 150 O GLN A 12 13.030 -1.303 1.887 1.00 23.34 O ATOM 151 CB GLN A 12 16.258 -0.683 2.413 1.00 4.31 C ATOM 152 CG GLN A 12 17.584 -0.850 3.138 1.00 43.33 C ATOM 153 CD GLN A 12 17.947 0.360 3.977 1.00 63.34 C ATOM 154 OE1 GLN A 12 18.279 0.235 5.156 1.00 73.30 O ATOM 155 NE2 GLN A 12 17.887 1.540 3.371 1.00 11.14 N ATOM 0 HA GLN A 12 15.460 -2.160 3.752 1.00 75.33 H new ATOM 0 HB2 GLN A 12 16.436 -0.702 1.338 1.00 4.31 H new ATOM 0 HB3 GLN A 12 15.844 0.297 2.651 1.00 4.31 H new ATOM 0 HG2 GLN A 12 17.535 -1.730 3.779 1.00 43.33 H new ATOM 0 HG3 GLN A 12 18.373 -1.031 2.408 1.00 43.33 H new ATOM 0 HE21 GLN A 12 17.607 1.597 2.392 1.00 11.14 H new ATOM 0 HE22 GLN A 12 18.121 2.390 3.885 1.00 11.14 H new ATOM 164 N PRO A 13 13.532 -0.431 3.903 1.00 40.52 N ATOM 165 CA PRO A 13 12.232 0.219 4.092 1.00 53.53 C ATOM 166 C PRO A 13 12.030 1.399 3.146 1.00 24.23 C ATOM 167 O PRO A 13 12.982 2.101 2.802 1.00 73.10 O ATOM 168 CB PRO A 13 12.284 0.701 5.544 1.00 74.02 C ATOM 169 CG PRO A 13 13.735 0.861 5.838 1.00 21.03 C ATOM 170 CD PRO A 13 14.439 -0.201 5.040 1.00 62.02 C ATOM 0 HA PRO A 13 11.404 -0.458 3.882 1.00 53.53 H new ATOM 0 HB2 PRO A 13 11.749 1.642 5.668 1.00 74.02 H new ATOM 0 HB3 PRO A 13 11.821 -0.020 6.217 1.00 74.02 H new ATOM 0 HG2 PRO A 13 14.083 1.855 5.557 1.00 21.03 H new ATOM 0 HG3 PRO A 13 13.932 0.744 6.904 1.00 21.03 H new ATOM 0 HD2 PRO A 13 15.423 0.131 4.708 1.00 62.02 H new ATOM 0 HD3 PRO A 13 14.589 -1.109 5.624 1.00 62.02 H new ATOM 178 N HIS A 14 10.786 1.612 2.730 1.00 61.22 N ATOM 179 CA HIS A 14 10.460 2.708 1.824 1.00 21.13 C ATOM 180 C HIS A 14 9.205 3.441 2.288 1.00 31.33 C ATOM 181 O HIS A 14 8.589 3.068 3.287 1.00 74.12 O ATOM 182 CB HIS A 14 10.261 2.181 0.403 1.00 42.11 C ATOM 183 CG HIS A 14 11.503 1.601 -0.200 1.00 63.22 C ATOM 184 ND1 HIS A 14 11.833 0.265 -0.104 1.00 45.42 N ATOM 185 CD2 HIS A 14 12.497 2.182 -0.912 1.00 1.43 C ATOM 186 CE1 HIS A 14 12.978 0.051 -0.729 1.00 55.10 C ATOM 187 NE2 HIS A 14 13.401 1.198 -1.228 1.00 51.33 N ATOM 0 H HIS A 14 9.987 1.041 3.005 1.00 61.22 H new ATOM 0 HA HIS A 14 11.293 3.411 1.829 1.00 21.13 H new ATOM 0 HB2 HIS A 14 9.482 1.419 0.413 1.00 42.11 H new ATOM 0 HB3 HIS A 14 9.905 2.993 -0.230 1.00 42.11 H new ATOM 0 HD2 HIS A 14 12.566 3.226 -1.181 1.00 1.43 H new ATOM 0 HE1 HIS A 14 13.482 -0.900 -0.817 1.00 55.10 H new ATOM 0 HE2 HIS A 14 14.260 1.331 -1.762 1.00 51.33 H new ATOM 195 N LYS A 15 8.832 4.486 1.557 1.00 34.34 N ATOM 196 CA LYS A 15 7.650 5.271 1.893 1.00 40.54 C ATOM 197 C LYS A 15 6.490 4.935 0.960 1.00 5.04 C ATOM 198 O LYS A 15 5.520 5.686 0.866 1.00 14.01 O ATOM 199 CB LYS A 15 7.966 6.767 1.811 1.00 25.50 C ATOM 200 CG LYS A 15 8.668 7.171 0.526 1.00 71.42 C ATOM 201 CD LYS A 15 10.085 7.651 0.791 1.00 12.01 C ATOM 202 CE LYS A 15 10.464 8.803 -0.127 1.00 12.11 C ATOM 203 NZ LYS A 15 11.768 8.565 -0.806 1.00 13.53 N ATOM 0 H LYS A 15 9.331 4.809 0.728 1.00 34.34 H new ATOM 0 HA LYS A 15 7.357 5.022 2.913 1.00 40.54 H new ATOM 0 HB2 LYS A 15 7.038 7.331 1.901 1.00 25.50 H new ATOM 0 HB3 LYS A 15 8.591 7.045 2.660 1.00 25.50 H new ATOM 0 HG2 LYS A 15 8.692 6.323 -0.158 1.00 71.42 H new ATOM 0 HG3 LYS A 15 8.101 7.961 0.034 1.00 71.42 H new ATOM 0 HD2 LYS A 15 10.175 7.968 1.830 1.00 12.01 H new ATOM 0 HD3 LYS A 15 10.783 6.826 0.648 1.00 12.01 H new ATOM 0 HE2 LYS A 15 9.685 8.942 -0.876 1.00 12.11 H new ATOM 0 HE3 LYS A 15 10.519 9.725 0.451 1.00 12.11 H new ATOM 0 HZ1 LYS A 15 11.991 9.372 -1.422 1.00 13.53 H new ATOM 0 HZ2 LYS A 15 12.517 8.458 -0.092 1.00 13.53 H new ATOM 0 HZ3 LYS A 15 11.708 7.699 -1.378 1.00 13.53 H new ATOM 217 N ARG A 16 6.598 3.802 0.275 1.00 61.52 N ATOM 218 CA ARG A 16 5.558 3.366 -0.649 1.00 41.14 C ATOM 219 C ARG A 16 5.330 1.861 -0.541 1.00 52.21 C ATOM 220 O ARG A 16 6.259 1.070 -0.701 1.00 31.42 O ATOM 221 CB ARG A 16 5.936 3.733 -2.086 1.00 0.34 C ATOM 222 CG ARG A 16 6.117 5.226 -2.305 1.00 55.40 C ATOM 223 CD ARG A 16 6.988 5.510 -3.518 1.00 63.24 C ATOM 224 NE ARG A 16 7.308 6.929 -3.643 1.00 4.21 N ATOM 225 CZ ARG A 16 7.981 7.444 -4.666 1.00 72.14 C ATOM 226 NH1 ARG A 16 8.401 6.660 -5.649 1.00 65.42 N ATOM 227 NH2 ARG A 16 8.233 8.746 -4.708 1.00 63.14 N ATOM 0 H ARG A 16 7.395 3.169 0.342 1.00 61.52 H new ATOM 0 HA ARG A 16 4.633 3.876 -0.382 1.00 41.14 H new ATOM 0 HB2 ARG A 16 6.861 3.221 -2.352 1.00 0.34 H new ATOM 0 HB3 ARG A 16 5.163 3.366 -2.761 1.00 0.34 H new ATOM 0 HG2 ARG A 16 5.143 5.696 -2.438 1.00 55.40 H new ATOM 0 HG3 ARG A 16 6.568 5.673 -1.419 1.00 55.40 H new ATOM 0 HD2 ARG A 16 7.911 4.936 -3.443 1.00 63.24 H new ATOM 0 HD3 ARG A 16 6.475 5.174 -4.419 1.00 63.24 H new ATOM 0 HE ARG A 16 6.998 7.560 -2.904 1.00 4.21 H new ATOM 0 HH11 ARG A 16 8.208 5.659 -5.621 1.00 65.42 H new ATOM 0 HH12 ARG A 16 8.918 7.058 -6.433 1.00 65.42 H new ATOM 0 HH21 ARG A 16 7.910 9.353 -3.954 1.00 63.14 H new ATOM 0 HH22 ARG A 16 8.750 9.140 -5.494 1.00 63.14 H new ATOM 241 N TRP A 17 4.089 1.475 -0.269 1.00 31.24 N ATOM 242 CA TRP A 17 3.739 0.065 -0.138 1.00 71.23 C ATOM 243 C TRP A 17 2.316 -0.190 -0.623 1.00 50.11 C ATOM 244 O TRP A 17 1.396 0.563 -0.302 1.00 62.20 O ATOM 245 CB TRP A 17 3.884 -0.385 1.316 1.00 35.43 C ATOM 246 CG TRP A 17 5.310 -0.524 1.756 1.00 14.43 C ATOM 247 CD1 TRP A 17 6.059 0.410 2.414 1.00 55.11 C ATOM 248 CD2 TRP A 17 6.158 -1.662 1.568 1.00 11.54 C ATOM 249 NE1 TRP A 17 7.322 -0.079 2.646 1.00 15.10 N ATOM 250 CE2 TRP A 17 7.408 -1.348 2.138 1.00 74.01 C ATOM 251 CE3 TRP A 17 5.983 -2.915 0.977 1.00 61.35 C ATOM 252 CZ2 TRP A 17 8.474 -2.243 2.130 1.00 2.13 C ATOM 253 CZ3 TRP A 17 7.043 -3.802 0.970 1.00 72.14 C ATOM 254 CH2 TRP A 17 8.275 -3.463 1.544 1.00 61.20 C ATOM 0 H TRP A 17 3.308 2.118 -0.135 1.00 31.24 H new ATOM 0 HA TRP A 17 4.423 -0.513 -0.759 1.00 71.23 H new ATOM 0 HB2 TRP A 17 3.380 0.333 1.963 1.00 35.43 H new ATOM 0 HB3 TRP A 17 3.377 -1.341 1.445 1.00 35.43 H new ATOM 0 HD1 TRP A 17 5.710 1.389 2.708 1.00 55.11 H new ATOM 0 HE1 TRP A 17 8.074 0.422 3.120 1.00 15.10 H new ATOM 0 HE3 TRP A 17 5.036 -3.186 0.533 1.00 61.35 H new ATOM 0 HZ2 TRP A 17 9.425 -1.983 2.571 1.00 2.13 H new ATOM 0 HZ3 TRP A 17 6.919 -4.773 0.514 1.00 72.14 H new ATOM 0 HH2 TRP A 17 9.084 -4.179 1.524 1.00 61.20 H new ATOM 265 N VAL A 18 2.141 -1.256 -1.398 1.00 41.30 N ATOM 266 CA VAL A 18 0.829 -1.610 -1.926 1.00 61.10 C ATOM 267 C VAL A 18 0.258 -2.827 -1.208 1.00 21.45 C ATOM 268 O VAL A 18 0.989 -3.582 -0.566 1.00 32.42 O ATOM 269 CB VAL A 18 0.892 -1.902 -3.437 1.00 24.30 C ATOM 270 CG1 VAL A 18 1.366 -0.674 -4.199 1.00 74.12 C ATOM 271 CG2 VAL A 18 1.799 -3.092 -3.711 1.00 62.55 C ATOM 0 H VAL A 18 2.892 -1.889 -1.674 1.00 41.30 H new ATOM 0 HA VAL A 18 0.178 -0.753 -1.756 1.00 61.10 H new ATOM 0 HB VAL A 18 -0.111 -2.150 -3.784 1.00 24.30 H new ATOM 0 HG11 VAL A 18 1.404 -0.899 -5.265 1.00 74.12 H new ATOM 0 HG12 VAL A 18 0.674 0.150 -4.027 1.00 74.12 H new ATOM 0 HG13 VAL A 18 2.360 -0.392 -3.852 1.00 74.12 H new ATOM 0 HG21 VAL A 18 1.832 -3.285 -4.783 1.00 62.55 H new ATOM 0 HG22 VAL A 18 2.804 -2.874 -3.350 1.00 62.55 H new ATOM 0 HG23 VAL A 18 1.411 -3.971 -3.196 1.00 62.55 H new ATOM 281 N PHE A 19 -1.053 -3.013 -1.320 1.00 10.21 N ATOM 282 CA PHE A 19 -1.723 -4.139 -0.680 1.00 55.05 C ATOM 283 C PHE A 19 -2.706 -4.803 -1.640 1.00 61.54 C ATOM 284 O PHE A 19 -3.341 -4.137 -2.458 1.00 13.40 O ATOM 285 CB PHE A 19 -2.458 -3.674 0.579 1.00 74.35 C ATOM 286 CG PHE A 19 -3.355 -2.492 0.347 1.00 10.32 C ATOM 287 CD1 PHE A 19 -2.836 -1.207 0.316 1.00 21.54 C ATOM 288 CD2 PHE A 19 -4.717 -2.664 0.161 1.00 32.40 C ATOM 289 CE1 PHE A 19 -3.658 -0.117 0.103 1.00 32.04 C ATOM 290 CE2 PHE A 19 -5.544 -1.578 -0.053 1.00 12.11 C ATOM 291 CZ PHE A 19 -5.014 -0.303 -0.080 1.00 53.45 C ATOM 0 H PHE A 19 -1.673 -2.398 -1.848 1.00 10.21 H new ATOM 0 HA PHE A 19 -0.964 -4.870 -0.400 1.00 55.05 H new ATOM 0 HB2 PHE A 19 -3.052 -4.500 0.969 1.00 74.35 H new ATOM 0 HB3 PHE A 19 -1.725 -3.419 1.345 1.00 74.35 H new ATOM 0 HD1 PHE A 19 -1.776 -1.056 0.460 1.00 21.54 H new ATOM 0 HD2 PHE A 19 -5.137 -3.659 0.184 1.00 32.40 H new ATOM 0 HE1 PHE A 19 -3.241 0.879 0.080 1.00 32.04 H new ATOM 0 HE2 PHE A 19 -6.604 -1.726 -0.199 1.00 12.11 H new ATOM 0 HZ PHE A 19 -5.659 0.547 -0.244 1.00 53.45 H new ATOM 301 N THR A 20 -2.825 -6.123 -1.536 1.00 33.52 N ATOM 302 CA THR A 20 -3.728 -6.880 -2.395 1.00 0.44 C ATOM 303 C THR A 20 -4.279 -8.103 -1.671 1.00 64.33 C ATOM 304 O THR A 20 -3.523 -8.901 -1.115 1.00 65.25 O ATOM 305 CB THR A 20 -3.024 -7.335 -3.687 1.00 13.20 C ATOM 306 OG1 THR A 20 -1.891 -8.149 -3.367 1.00 3.01 O ATOM 307 CG2 THR A 20 -2.578 -6.136 -4.511 1.00 21.41 C ATOM 0 H THR A 20 -2.307 -6.690 -0.865 1.00 33.52 H new ATOM 0 HA THR A 20 -4.551 -6.214 -2.654 1.00 0.44 H new ATOM 0 HB THR A 20 -3.733 -7.917 -4.276 1.00 13.20 H new ATOM 0 HG1 THR A 20 -1.576 -7.931 -2.465 1.00 3.01 H new ATOM 0 HG21 THR A 20 -2.083 -6.482 -5.419 1.00 21.41 H new ATOM 0 HG22 THR A 20 -3.447 -5.535 -4.778 1.00 21.41 H new ATOM 0 HG23 THR A 20 -1.884 -5.531 -3.927 1.00 21.41 H new ATOM 315 N LEU A 21 -5.599 -8.247 -1.682 1.00 52.43 N ATOM 316 CA LEU A 21 -6.252 -9.375 -1.027 1.00 61.14 C ATOM 317 C LEU A 21 -7.419 -9.890 -1.864 1.00 41.40 C ATOM 318 O LEU A 21 -8.201 -9.108 -2.404 1.00 5.12 O ATOM 319 CB LEU A 21 -6.746 -8.968 0.362 1.00 41.22 C ATOM 320 CG LEU A 21 -7.364 -10.082 1.208 1.00 43.23 C ATOM 321 CD1 LEU A 21 -6.381 -10.555 2.267 1.00 3.03 C ATOM 322 CD2 LEU A 21 -8.658 -9.607 1.852 1.00 3.33 C ATOM 0 H LEU A 21 -6.239 -7.596 -2.138 1.00 52.43 H new ATOM 0 HA LEU A 21 -5.521 -10.177 -0.925 1.00 61.14 H new ATOM 0 HB2 LEU A 21 -5.908 -8.543 0.914 1.00 41.22 H new ATOM 0 HB3 LEU A 21 -7.485 -8.176 0.245 1.00 41.22 H new ATOM 0 HG LEU A 21 -7.595 -10.923 0.555 1.00 43.23 H new ATOM 0 HD11 LEU A 21 -6.838 -11.348 2.859 1.00 3.03 H new ATOM 0 HD12 LEU A 21 -5.481 -10.936 1.784 1.00 3.03 H new ATOM 0 HD13 LEU A 21 -6.118 -9.721 2.918 1.00 3.03 H new ATOM 0 HD21 LEU A 21 -9.084 -10.413 2.450 1.00 3.33 H new ATOM 0 HD22 LEU A 21 -8.452 -8.749 2.492 1.00 3.33 H new ATOM 0 HD23 LEU A 21 -9.366 -9.318 1.075 1.00 3.33 H new ATOM 334 N ASN A 22 -7.531 -11.210 -1.965 1.00 60.11 N ATOM 335 CA ASN A 22 -8.604 -11.829 -2.735 1.00 20.55 C ATOM 336 C ASN A 22 -9.856 -12.002 -1.881 1.00 15.54 C ATOM 337 O ASN A 22 -9.783 -12.443 -0.735 1.00 22.03 O ATOM 338 CB ASN A 22 -8.153 -13.187 -3.277 1.00 44.12 C ATOM 339 CG ASN A 22 -7.916 -14.201 -2.174 1.00 51.25 C ATOM 340 OD1 ASN A 22 -8.840 -14.888 -1.739 1.00 13.42 O ATOM 341 ND2 ASN A 22 -6.673 -14.298 -1.717 1.00 71.45 N ATOM 0 H ASN A 22 -6.892 -11.872 -1.524 1.00 60.11 H new ATOM 0 HA ASN A 22 -8.843 -11.172 -3.571 1.00 20.55 H new ATOM 0 HB2 ASN A 22 -8.909 -13.570 -3.963 1.00 44.12 H new ATOM 0 HB3 ASN A 22 -7.236 -13.059 -3.852 1.00 44.12 H new ATOM 0 HD21 ASN A 22 -6.453 -14.963 -0.975 1.00 71.45 H new ATOM 0 HD22 ASN A 22 -5.938 -13.708 -2.108 1.00 71.45 H new ATOM 348 N ASN A 23 -11.006 -11.650 -2.448 1.00 2.11 N ATOM 349 CA ASN A 23 -12.275 -11.765 -1.739 1.00 30.41 C ATOM 350 C ASN A 23 -12.199 -11.088 -0.374 1.00 31.32 C ATOM 351 O ASN A 23 -12.252 -11.736 0.672 1.00 54.01 O ATOM 352 CB ASN A 23 -12.657 -13.237 -1.570 1.00 25.50 C ATOM 353 CG ASN A 23 -14.007 -13.412 -0.902 1.00 4.23 C ATOM 354 OD1 ASN A 23 -14.151 -14.197 0.035 1.00 31.22 O ATOM 355 ND2 ASN A 23 -15.004 -12.678 -1.382 1.00 44.12 N ATOM 0 H ASN A 23 -11.085 -11.283 -3.396 1.00 2.11 H new ATOM 0 HA ASN A 23 -13.040 -11.263 -2.331 1.00 30.41 H new ATOM 0 HB2 ASN A 23 -12.673 -13.720 -2.547 1.00 25.50 H new ATOM 0 HB3 ASN A 23 -11.894 -13.742 -0.978 1.00 25.50 H new ATOM 0 HD21 ASN A 23 -15.935 -12.752 -0.972 1.00 44.12 H new ATOM 0 HD22 ASN A 23 -14.839 -12.040 -2.160 1.00 44.12 H new ATOM 362 N PRO A 24 -12.072 -9.753 -0.382 1.00 33.00 N ATOM 363 CA PRO A 24 -11.988 -8.958 0.847 1.00 64.40 C ATOM 364 C PRO A 24 -13.308 -8.926 1.609 1.00 72.43 C ATOM 365 O PRO A 24 -14.382 -8.915 1.008 1.00 53.13 O ATOM 366 CB PRO A 24 -11.628 -7.559 0.341 1.00 73.33 C ATOM 367 CG PRO A 24 -12.144 -7.518 -1.056 1.00 40.04 C ATOM 368 CD PRO A 24 -12.002 -8.916 -1.592 1.00 34.15 C ATOM 0 HA PRO A 24 -11.265 -9.371 1.550 1.00 64.40 H new ATOM 0 HB2 PRO A 24 -12.088 -6.785 0.956 1.00 73.33 H new ATOM 0 HB3 PRO A 24 -10.551 -7.392 0.371 1.00 73.33 H new ATOM 0 HG2 PRO A 24 -13.185 -7.196 -1.078 1.00 40.04 H new ATOM 0 HG3 PRO A 24 -11.578 -6.809 -1.660 1.00 40.04 H new ATOM 0 HD2 PRO A 24 -12.798 -9.159 -2.296 1.00 34.15 H new ATOM 0 HD3 PRO A 24 -11.058 -9.050 -2.120 1.00 34.15 H new ATOM 376 N SER A 25 -13.221 -8.912 2.935 1.00 41.30 N ATOM 377 CA SER A 25 -14.410 -8.884 3.779 1.00 24.31 C ATOM 378 C SER A 25 -14.802 -7.450 4.119 1.00 42.44 C ATOM 379 O SER A 25 -14.015 -6.521 3.937 1.00 54.13 O ATOM 380 CB SER A 25 -14.166 -9.677 5.065 1.00 12.51 C ATOM 381 OG SER A 25 -14.951 -10.856 5.093 1.00 24.45 O ATOM 0 H SER A 25 -12.340 -8.920 3.448 1.00 41.30 H new ATOM 0 HA SER A 25 -15.229 -9.344 3.226 1.00 24.31 H new ATOM 0 HB2 SER A 25 -13.110 -9.937 5.141 1.00 12.51 H new ATOM 0 HB3 SER A 25 -14.404 -9.057 5.929 1.00 12.51 H new ATOM 0 HG SER A 25 -14.776 -11.346 5.924 1.00 24.45 H new ATOM 387 N GLU A 26 -16.024 -7.278 4.613 1.00 41.00 N ATOM 388 CA GLU A 26 -16.521 -5.957 4.977 1.00 12.53 C ATOM 389 C GLU A 26 -15.702 -5.363 6.119 1.00 2.35 C ATOM 390 O GLU A 26 -15.558 -4.145 6.227 1.00 51.34 O ATOM 391 CB GLU A 26 -17.995 -6.035 5.380 1.00 74.03 C ATOM 392 CG GLU A 26 -18.235 -6.806 6.667 1.00 62.54 C ATOM 393 CD GLU A 26 -19.691 -7.185 6.858 1.00 44.13 C ATOM 394 OE1 GLU A 26 -20.112 -8.223 6.306 1.00 41.43 O ATOM 395 OE2 GLU A 26 -20.409 -6.443 7.560 1.00 4.42 O ATOM 0 H GLU A 26 -16.687 -8.037 4.770 1.00 41.00 H new ATOM 0 HA GLU A 26 -16.423 -5.308 4.106 1.00 12.53 H new ATOM 0 HB2 GLU A 26 -18.386 -5.024 5.494 1.00 74.03 H new ATOM 0 HB3 GLU A 26 -18.559 -6.505 4.574 1.00 74.03 H new ATOM 0 HG2 GLU A 26 -17.626 -7.710 6.663 1.00 62.54 H new ATOM 0 HG3 GLU A 26 -17.906 -6.203 7.514 1.00 62.54 H new ATOM 402 N ASP A 27 -15.168 -6.232 6.970 1.00 4.34 N ATOM 403 CA ASP A 27 -14.362 -5.795 8.105 1.00 51.43 C ATOM 404 C ASP A 27 -12.960 -5.397 7.654 1.00 21.04 C ATOM 405 O ASP A 27 -12.422 -4.381 8.093 1.00 20.25 O ATOM 406 CB ASP A 27 -14.279 -6.903 9.156 1.00 43.15 C ATOM 407 CG ASP A 27 -15.205 -6.658 10.330 1.00 15.01 C ATOM 408 OD1 ASP A 27 -14.928 -5.733 11.122 1.00 64.42 O ATOM 409 OD2 ASP A 27 -16.208 -7.392 10.458 1.00 13.41 O ATOM 0 H ASP A 27 -15.278 -7.243 6.896 1.00 4.34 H new ATOM 0 HA ASP A 27 -14.843 -4.922 8.547 1.00 51.43 H new ATOM 0 HB2 ASP A 27 -14.529 -7.858 8.693 1.00 43.15 H new ATOM 0 HB3 ASP A 27 -13.253 -6.982 9.516 1.00 43.15 H new ATOM 414 N GLU A 28 -12.374 -6.206 6.777 1.00 40.20 N ATOM 415 CA GLU A 28 -11.033 -5.938 6.269 1.00 34.44 C ATOM 416 C GLU A 28 -10.993 -4.615 5.511 1.00 3.20 C ATOM 417 O GLU A 28 -10.121 -3.778 5.748 1.00 72.11 O ATOM 418 CB GLU A 28 -10.573 -7.076 5.356 1.00 74.50 C ATOM 419 CG GLU A 28 -9.274 -7.727 5.801 1.00 34.11 C ATOM 420 CD GLU A 28 -9.456 -8.626 7.009 1.00 71.14 C ATOM 421 OE1 GLU A 28 -10.451 -9.380 7.044 1.00 40.24 O ATOM 422 OE2 GLU A 28 -8.602 -8.576 7.919 1.00 53.32 O ATOM 0 H GLU A 28 -12.806 -7.051 6.404 1.00 40.20 H new ATOM 0 HA GLU A 28 -10.356 -5.869 7.121 1.00 34.44 H new ATOM 0 HB2 GLU A 28 -11.354 -7.835 5.314 1.00 74.50 H new ATOM 0 HB3 GLU A 28 -10.448 -6.691 4.344 1.00 74.50 H new ATOM 0 HG2 GLU A 28 -8.863 -8.311 4.977 1.00 34.11 H new ATOM 0 HG3 GLU A 28 -8.545 -6.951 6.036 1.00 34.11 H new ATOM 429 N ARG A 29 -11.941 -4.433 4.598 1.00 33.41 N ATOM 430 CA ARG A 29 -12.013 -3.213 3.803 1.00 34.23 C ATOM 431 C ARG A 29 -12.324 -2.007 4.685 1.00 22.44 C ATOM 432 O ARG A 29 -11.865 -0.896 4.421 1.00 61.03 O ATOM 433 CB ARG A 29 -13.080 -3.350 2.715 1.00 23.40 C ATOM 434 CG ARG A 29 -12.749 -4.401 1.668 1.00 72.05 C ATOM 435 CD ARG A 29 -14.008 -5.052 1.115 1.00 44.44 C ATOM 436 NE ARG A 29 -14.898 -4.077 0.489 1.00 65.54 N ATOM 437 CZ ARG A 29 -16.127 -4.364 0.076 1.00 33.22 C ATOM 438 NH1 ARG A 29 -16.610 -5.590 0.223 1.00 34.12 N ATOM 439 NH2 ARG A 29 -16.877 -3.423 -0.484 1.00 63.53 N ATOM 0 H ARG A 29 -12.670 -5.115 4.390 1.00 33.41 H new ATOM 0 HA ARG A 29 -11.042 -3.058 3.333 1.00 34.23 H new ATOM 0 HB2 ARG A 29 -14.033 -3.601 3.181 1.00 23.40 H new ATOM 0 HB3 ARG A 29 -13.210 -2.387 2.222 1.00 23.40 H new ATOM 0 HG2 ARG A 29 -12.188 -3.941 0.854 1.00 72.05 H new ATOM 0 HG3 ARG A 29 -12.106 -5.164 2.107 1.00 72.05 H new ATOM 0 HD2 ARG A 29 -13.732 -5.813 0.385 1.00 44.44 H new ATOM 0 HD3 ARG A 29 -14.537 -5.561 1.921 1.00 44.44 H new ATOM 0 HE ARG A 29 -14.557 -3.124 0.362 1.00 65.54 H new ATOM 0 HH11 ARG A 29 -16.037 -6.315 0.654 1.00 34.12 H new ATOM 0 HH12 ARG A 29 -17.554 -5.808 -0.095 1.00 34.12 H new ATOM 0 HH21 ARG A 29 -16.509 -2.478 -0.598 1.00 63.53 H new ATOM 0 HH22 ARG A 29 -17.821 -3.645 -0.801 1.00 63.53 H new ATOM 453 N LYS A 30 -13.106 -2.234 5.735 1.00 74.51 N ATOM 454 CA LYS A 30 -13.479 -1.168 6.657 1.00 25.43 C ATOM 455 C LYS A 30 -12.278 -0.723 7.487 1.00 74.20 C ATOM 456 O LYS A 30 -12.094 0.467 7.743 1.00 74.02 O ATOM 457 CB LYS A 30 -14.606 -1.636 7.581 1.00 4.42 C ATOM 458 CG LYS A 30 -15.995 -1.371 7.028 1.00 40.42 C ATOM 459 CD LYS A 30 -17.069 -2.019 7.885 1.00 55.24 C ATOM 460 CE LYS A 30 -18.179 -2.613 7.031 1.00 33.53 C ATOM 461 NZ LYS A 30 -19.505 -2.016 7.351 1.00 53.12 N ATOM 0 H LYS A 30 -13.494 -3.148 5.969 1.00 74.51 H new ATOM 0 HA LYS A 30 -13.828 -0.319 6.070 1.00 25.43 H new ATOM 0 HB2 LYS A 30 -14.495 -2.705 7.764 1.00 4.42 H new ATOM 0 HB3 LYS A 30 -14.506 -1.136 8.544 1.00 4.42 H new ATOM 0 HG2 LYS A 30 -16.168 -0.296 6.977 1.00 40.42 H new ATOM 0 HG3 LYS A 30 -16.061 -1.753 6.009 1.00 40.42 H new ATOM 0 HD2 LYS A 30 -16.623 -2.801 8.500 1.00 55.24 H new ATOM 0 HD3 LYS A 30 -17.489 -1.279 8.566 1.00 55.24 H new ATOM 0 HE2 LYS A 30 -17.953 -2.451 5.977 1.00 33.53 H new ATOM 0 HE3 LYS A 30 -18.219 -3.691 7.186 1.00 33.53 H new ATOM 0 HZ1 LYS A 30 -20.234 -2.447 6.748 1.00 53.12 H new ATOM 0 HZ2 LYS A 30 -19.733 -2.192 8.350 1.00 53.12 H new ATOM 0 HZ3 LYS A 30 -19.475 -0.991 7.179 1.00 53.12 H new ATOM 475 N LYS A 31 -11.463 -1.686 7.904 1.00 72.11 N ATOM 476 CA LYS A 31 -10.279 -1.394 8.702 1.00 3.03 C ATOM 477 C LYS A 31 -9.301 -0.518 7.925 1.00 31.11 C ATOM 478 O LYS A 31 -8.864 0.524 8.414 1.00 51.34 O ATOM 479 CB LYS A 31 -9.590 -2.694 9.125 1.00 13.32 C ATOM 480 CG LYS A 31 -8.210 -2.484 9.724 1.00 71.12 C ATOM 481 CD LYS A 31 -7.562 -3.804 10.106 1.00 22.01 C ATOM 482 CE LYS A 31 -6.101 -3.850 9.685 1.00 60.10 C ATOM 483 NZ LYS A 31 -5.281 -2.843 10.414 1.00 15.10 N ATOM 0 H LYS A 31 -11.601 -2.676 7.702 1.00 72.11 H new ATOM 0 HA LYS A 31 -10.597 -0.852 9.592 1.00 3.03 H new ATOM 0 HB2 LYS A 31 -10.218 -3.208 9.852 1.00 13.32 H new ATOM 0 HB3 LYS A 31 -9.505 -3.349 8.258 1.00 13.32 H new ATOM 0 HG2 LYS A 31 -7.577 -1.961 9.007 1.00 71.12 H new ATOM 0 HG3 LYS A 31 -8.288 -1.847 10.605 1.00 71.12 H new ATOM 0 HD2 LYS A 31 -7.636 -3.948 11.184 1.00 22.01 H new ATOM 0 HD3 LYS A 31 -8.103 -4.626 9.637 1.00 22.01 H new ATOM 0 HE2 LYS A 31 -5.701 -4.847 9.870 1.00 60.10 H new ATOM 0 HE3 LYS A 31 -6.026 -3.671 8.612 1.00 60.10 H new ATOM 0 HZ1 LYS A 31 -4.341 -2.776 9.973 1.00 15.10 H new ATOM 0 HZ2 LYS A 31 -5.751 -1.916 10.371 1.00 15.10 H new ATOM 0 HZ3 LYS A 31 -5.177 -3.133 11.407 1.00 15.10 H new ATOM 497 N ILE A 32 -8.964 -0.947 6.714 1.00 64.22 N ATOM 498 CA ILE A 32 -8.040 -0.200 5.869 1.00 31.11 C ATOM 499 C ILE A 32 -8.643 1.134 5.442 1.00 65.03 C ATOM 500 O ILE A 32 -7.949 2.150 5.385 1.00 35.12 O ATOM 501 CB ILE A 32 -7.653 -1.002 4.612 1.00 5.44 C ATOM 502 CG1 ILE A 32 -6.611 -2.066 4.961 1.00 23.52 C ATOM 503 CG2 ILE A 32 -7.124 -0.070 3.532 1.00 53.11 C ATOM 504 CD1 ILE A 32 -6.277 -2.986 3.808 1.00 73.43 C ATOM 0 H ILE A 32 -9.317 -1.808 6.296 1.00 64.22 H new ATOM 0 HA ILE A 32 -7.145 -0.018 6.463 1.00 31.11 H new ATOM 0 HB ILE A 32 -8.543 -1.503 4.230 1.00 5.44 H new ATOM 0 HG12 ILE A 32 -5.699 -1.573 5.298 1.00 23.52 H new ATOM 0 HG13 ILE A 32 -6.978 -2.662 5.796 1.00 23.52 H new ATOM 0 HG21 ILE A 32 -6.855 -0.651 2.650 1.00 53.11 H new ATOM 0 HG22 ILE A 32 -7.894 0.655 3.268 1.00 53.11 H new ATOM 0 HG23 ILE A 32 -6.244 0.455 3.903 1.00 53.11 H new ATOM 0 HD11 ILE A 32 -5.532 -3.715 4.128 1.00 73.43 H new ATOM 0 HD12 ILE A 32 -7.178 -3.507 3.485 1.00 73.43 H new ATOM 0 HD13 ILE A 32 -5.879 -2.401 2.979 1.00 73.43 H new ATOM 516 N ARG A 33 -9.938 1.124 5.143 1.00 24.34 N ATOM 517 CA ARG A 33 -10.634 2.333 4.722 1.00 51.12 C ATOM 518 C ARG A 33 -10.816 3.292 5.894 1.00 11.44 C ATOM 519 O ARG A 33 -11.017 4.492 5.703 1.00 73.23 O ATOM 520 CB ARG A 33 -11.996 1.980 4.122 1.00 73.21 C ATOM 521 CG ARG A 33 -12.849 3.194 3.790 1.00 21.40 C ATOM 522 CD ARG A 33 -14.086 2.805 2.995 1.00 2.04 C ATOM 523 NE ARG A 33 -15.292 3.448 3.511 1.00 63.32 N ATOM 524 CZ ARG A 33 -15.567 4.736 3.342 1.00 11.22 C ATOM 525 NH1 ARG A 33 -14.727 5.515 2.675 1.00 50.31 N ATOM 526 NH2 ARG A 33 -16.685 5.248 3.841 1.00 31.21 N ATOM 0 H ARG A 33 -10.526 0.292 5.185 1.00 24.34 H new ATOM 0 HA ARG A 33 -10.027 2.826 3.963 1.00 51.12 H new ATOM 0 HB2 ARG A 33 -11.843 1.395 3.215 1.00 73.21 H new ATOM 0 HB3 ARG A 33 -12.539 1.346 4.823 1.00 73.21 H new ATOM 0 HG2 ARG A 33 -13.149 3.692 4.712 1.00 21.40 H new ATOM 0 HG3 ARG A 33 -12.258 3.910 3.219 1.00 21.40 H new ATOM 0 HD2 ARG A 33 -13.947 3.081 1.950 1.00 2.04 H new ATOM 0 HD3 ARG A 33 -14.211 1.723 3.025 1.00 2.04 H new ATOM 0 HE ARG A 33 -15.959 2.876 4.029 1.00 63.32 H new ATOM 0 HH11 ARG A 33 -13.867 5.125 2.290 1.00 50.31 H new ATOM 0 HH12 ARG A 33 -14.941 6.504 2.547 1.00 50.31 H new ATOM 0 HH21 ARG A 33 -17.334 4.652 4.355 1.00 31.21 H new ATOM 0 HH22 ARG A 33 -16.895 6.238 3.711 1.00 31.21 H new ATOM 540 N ASP A 34 -10.745 2.756 7.108 1.00 64.25 N ATOM 541 CA ASP A 34 -10.901 3.564 8.311 1.00 21.24 C ATOM 542 C ASP A 34 -9.542 3.926 8.903 1.00 51.32 C ATOM 543 O ASP A 34 -9.458 4.474 10.003 1.00 60.20 O ATOM 544 CB ASP A 34 -11.739 2.815 9.349 1.00 51.03 C ATOM 545 CG ASP A 34 -13.202 2.730 8.959 1.00 2.43 C ATOM 546 OD1 ASP A 34 -13.605 3.433 8.008 1.00 25.31 O ATOM 547 OD2 ASP A 34 -13.944 1.961 9.605 1.00 3.42 O ATOM 0 H ASP A 34 -10.580 1.765 7.284 1.00 64.25 H new ATOM 0 HA ASP A 34 -11.415 4.485 8.036 1.00 21.24 H new ATOM 0 HB2 ASP A 34 -11.341 1.808 9.476 1.00 51.03 H new ATOM 0 HB3 ASP A 34 -11.651 3.316 10.313 1.00 51.03 H new ATOM 552 N LEU A 35 -8.481 3.617 8.166 1.00 23.34 N ATOM 553 CA LEU A 35 -7.125 3.909 8.618 1.00 23.31 C ATOM 554 C LEU A 35 -6.879 5.413 8.667 1.00 52.41 C ATOM 555 O LEU A 35 -7.584 6.203 8.038 1.00 61.13 O ATOM 556 CB LEU A 35 -6.104 3.244 7.693 1.00 23.33 C ATOM 557 CG LEU A 35 -5.789 1.776 7.986 1.00 5.42 C ATOM 558 CD1 LEU A 35 -4.899 1.194 6.899 1.00 41.12 C ATOM 559 CD2 LEU A 35 -5.129 1.635 9.350 1.00 30.52 C ATOM 0 H LEU A 35 -8.533 3.165 7.253 1.00 23.34 H new ATOM 0 HA LEU A 35 -7.010 3.508 9.625 1.00 23.31 H new ATOM 0 HB2 LEU A 35 -6.469 3.319 6.669 1.00 23.33 H new ATOM 0 HB3 LEU A 35 -5.175 3.811 7.743 1.00 23.33 H new ATOM 0 HG LEU A 35 -6.725 1.218 7.998 1.00 5.42 H new ATOM 0 HD11 LEU A 35 -4.685 0.149 7.124 1.00 41.12 H new ATOM 0 HD12 LEU A 35 -5.408 1.261 5.937 1.00 41.12 H new ATOM 0 HD13 LEU A 35 -3.965 1.754 6.855 1.00 41.12 H new ATOM 0 HD21 LEU A 35 -4.912 0.584 9.542 1.00 30.52 H new ATOM 0 HD22 LEU A 35 -4.201 2.206 9.366 1.00 30.52 H new ATOM 0 HD23 LEU A 35 -5.801 2.013 10.120 1.00 30.52 H new ATOM 571 N PRO A 36 -5.855 5.822 9.430 1.00 24.42 N ATOM 572 CA PRO A 36 -5.490 7.234 9.577 1.00 35.12 C ATOM 573 C PRO A 36 -4.898 7.816 8.299 1.00 65.25 C ATOM 574 O PRO A 36 -3.858 7.359 7.822 1.00 51.24 O ATOM 575 CB PRO A 36 -4.442 7.216 10.693 1.00 74.23 C ATOM 576 CG PRO A 36 -3.857 5.847 10.640 1.00 22.01 C ATOM 577 CD PRO A 36 -4.972 4.936 10.208 1.00 33.31 C ATOM 0 HA PRO A 36 -6.356 7.858 9.798 1.00 35.12 H new ATOM 0 HB2 PRO A 36 -3.680 7.979 10.533 1.00 74.23 H new ATOM 0 HB3 PRO A 36 -4.894 7.416 11.664 1.00 74.23 H new ATOM 0 HG2 PRO A 36 -3.025 5.805 9.937 1.00 22.01 H new ATOM 0 HG3 PRO A 36 -3.467 5.551 11.614 1.00 22.01 H new ATOM 0 HD2 PRO A 36 -4.602 4.107 9.605 1.00 33.31 H new ATOM 0 HD3 PRO A 36 -5.490 4.502 11.063 1.00 33.31 H new ATOM 585 N ILE A 37 -5.564 8.825 7.749 1.00 50.23 N ATOM 586 CA ILE A 37 -5.101 9.470 6.526 1.00 31.11 C ATOM 587 C ILE A 37 -3.813 10.249 6.769 1.00 13.44 C ATOM 588 O ILE A 37 -2.949 10.329 5.896 1.00 33.12 O ATOM 589 CB ILE A 37 -6.166 10.425 5.955 1.00 30.13 C ATOM 590 CG1 ILE A 37 -6.686 11.358 7.051 1.00 22.21 C ATOM 591 CG2 ILE A 37 -7.310 9.634 5.338 1.00 12.54 C ATOM 592 CD1 ILE A 37 -7.598 12.448 6.534 1.00 70.00 C ATOM 0 H ILE A 37 -6.426 9.214 8.131 1.00 50.23 H new ATOM 0 HA ILE A 37 -4.912 8.677 5.803 1.00 31.11 H new ATOM 0 HB ILE A 37 -5.708 11.032 5.175 1.00 30.13 H new ATOM 0 HG12 ILE A 37 -7.223 10.768 7.794 1.00 22.21 H new ATOM 0 HG13 ILE A 37 -5.838 11.816 7.560 1.00 22.21 H new ATOM 0 HG21 ILE A 37 -8.055 10.323 4.939 1.00 12.54 H new ATOM 0 HG22 ILE A 37 -6.926 9.008 4.533 1.00 12.54 H new ATOM 0 HG23 ILE A 37 -7.770 9.004 6.100 1.00 12.54 H new ATOM 0 HD11 ILE A 37 -7.928 13.071 7.365 1.00 70.00 H new ATOM 0 HD12 ILE A 37 -7.059 13.062 5.813 1.00 70.00 H new ATOM 0 HD13 ILE A 37 -8.465 11.998 6.051 1.00 70.00 H new ATOM 604 N SER A 38 -3.691 10.822 7.963 1.00 51.14 N ATOM 605 CA SER A 38 -2.509 11.597 8.321 1.00 52.41 C ATOM 606 C SER A 38 -1.275 10.704 8.393 1.00 64.10 C ATOM 607 O SER A 38 -0.144 11.176 8.268 1.00 42.10 O ATOM 608 CB SER A 38 -2.722 12.301 9.663 1.00 54.25 C ATOM 609 OG SER A 38 -2.869 13.700 9.487 1.00 24.22 O ATOM 0 H SER A 38 -4.396 10.764 8.698 1.00 51.14 H new ATOM 0 HA SER A 38 -2.348 12.347 7.546 1.00 52.41 H new ATOM 0 HB2 SER A 38 -3.609 11.898 10.152 1.00 54.25 H new ATOM 0 HB3 SER A 38 -1.876 12.101 10.321 1.00 54.25 H new ATOM 0 HG SER A 38 -3.006 14.127 10.359 1.00 24.22 H new ATOM 615 N LEU A 39 -1.499 9.410 8.595 1.00 15.55 N ATOM 616 CA LEU A 39 -0.406 8.449 8.684 1.00 33.45 C ATOM 617 C LEU A 39 0.208 8.194 7.312 1.00 70.22 C ATOM 618 O LEU A 39 1.391 7.871 7.199 1.00 12.35 O ATOM 619 CB LEU A 39 -0.906 7.133 9.284 1.00 2.15 C ATOM 620 CG LEU A 39 0.049 6.430 10.249 1.00 5.05 C ATOM 621 CD1 LEU A 39 -0.724 5.767 11.379 1.00 54.44 C ATOM 622 CD2 LEU A 39 0.898 5.406 9.509 1.00 14.21 C ATOM 0 H LEU A 39 -2.428 9.002 8.700 1.00 15.55 H new ATOM 0 HA LEU A 39 0.362 8.869 9.333 1.00 33.45 H new ATOM 0 HB2 LEU A 39 -1.842 7.328 9.808 1.00 2.15 H new ATOM 0 HB3 LEU A 39 -1.135 6.448 8.467 1.00 2.15 H new ATOM 0 HG LEU A 39 0.713 7.179 10.681 1.00 5.05 H new ATOM 0 HD11 LEU A 39 -0.027 5.272 12.055 1.00 54.44 H new ATOM 0 HD12 LEU A 39 -1.287 6.523 11.927 1.00 54.44 H new ATOM 0 HD13 LEU A 39 -1.413 5.031 10.965 1.00 54.44 H new ATOM 0 HD21 LEU A 39 1.572 4.916 10.212 1.00 14.21 H new ATOM 0 HD22 LEU A 39 0.250 4.661 9.048 1.00 14.21 H new ATOM 0 HD23 LEU A 39 1.482 5.907 8.737 1.00 14.21 H new ATOM 634 N PHE A 40 -0.603 8.343 6.270 1.00 60.35 N ATOM 635 CA PHE A 40 -0.139 8.130 4.903 1.00 31.15 C ATOM 636 C PHE A 40 -0.391 9.366 4.045 1.00 74.22 C ATOM 637 O PHE A 40 -1.538 9.740 3.798 1.00 70.22 O ATOM 638 CB PHE A 40 -0.838 6.916 4.288 1.00 14.11 C ATOM 639 CG PHE A 40 -0.943 5.746 5.224 1.00 10.12 C ATOM 640 CD1 PHE A 40 -2.032 5.615 6.071 1.00 23.02 C ATOM 641 CD2 PHE A 40 0.047 4.777 5.257 1.00 51.32 C ATOM 642 CE1 PHE A 40 -2.130 4.540 6.934 1.00 21.21 C ATOM 643 CE2 PHE A 40 -0.046 3.700 6.117 1.00 30.43 C ATOM 644 CZ PHE A 40 -1.137 3.580 6.956 1.00 5.33 C ATOM 0 H PHE A 40 -1.584 8.610 6.345 1.00 60.35 H new ATOM 0 HA PHE A 40 0.935 7.944 4.935 1.00 31.15 H new ATOM 0 HB2 PHE A 40 -1.839 7.206 3.969 1.00 14.11 H new ATOM 0 HB3 PHE A 40 -0.295 6.608 3.394 1.00 14.11 H new ATOM 0 HD1 PHE A 40 -2.813 6.361 6.057 1.00 23.02 H new ATOM 0 HD2 PHE A 40 0.902 4.865 4.602 1.00 51.32 H new ATOM 0 HE1 PHE A 40 -2.983 4.451 7.591 1.00 21.21 H new ATOM 0 HE2 PHE A 40 0.733 2.953 6.133 1.00 30.43 H new ATOM 0 HZ PHE A 40 -1.213 2.738 7.628 1.00 5.33 H new ATOM 654 N ASP A 41 0.688 9.995 3.594 1.00 52.45 N ATOM 655 CA ASP A 41 0.585 11.189 2.762 1.00 30.00 C ATOM 656 C ASP A 41 -0.328 10.941 1.565 1.00 21.43 C ATOM 657 O ASP A 41 -0.965 11.863 1.056 1.00 60.23 O ATOM 658 CB ASP A 41 1.971 11.622 2.281 1.00 54.31 C ATOM 659 CG ASP A 41 2.343 13.010 2.764 1.00 5.11 C ATOM 660 OD1 ASP A 41 2.437 13.205 3.994 1.00 4.13 O ATOM 661 OD2 ASP A 41 2.542 13.901 1.912 1.00 22.01 O ATOM 0 H ASP A 41 1.644 9.699 3.790 1.00 52.45 H new ATOM 0 HA ASP A 41 0.153 11.987 3.366 1.00 30.00 H new ATOM 0 HB2 ASP A 41 2.714 10.907 2.633 1.00 54.31 H new ATOM 0 HB3 ASP A 41 1.998 11.600 1.192 1.00 54.31 H new ATOM 666 N TYR A 42 -0.385 9.690 1.121 1.00 14.03 N ATOM 667 CA TYR A 42 -1.217 9.321 -0.018 1.00 34.12 C ATOM 668 C TYR A 42 -1.927 7.994 0.233 1.00 33.04 C ATOM 669 O TYR A 42 -1.291 6.981 0.526 1.00 42.51 O ATOM 670 CB TYR A 42 -0.368 9.226 -1.287 1.00 34.44 C ATOM 671 CG TYR A 42 -1.165 8.875 -2.523 1.00 42.11 C ATOM 672 CD1 TYR A 42 -2.452 9.365 -2.706 1.00 12.00 C ATOM 673 CD2 TYR A 42 -0.631 8.054 -3.508 1.00 24.40 C ATOM 674 CE1 TYR A 42 -3.184 9.047 -3.834 1.00 10.02 C ATOM 675 CE2 TYR A 42 -1.355 7.732 -4.640 1.00 25.44 C ATOM 676 CZ TYR A 42 -2.631 8.230 -4.798 1.00 3.42 C ATOM 677 OH TYR A 42 -3.356 7.911 -5.923 1.00 25.20 O ATOM 0 H TYR A 42 0.135 8.915 1.532 1.00 14.03 H new ATOM 0 HA TYR A 42 -1.971 10.096 -0.151 1.00 34.12 H new ATOM 0 HB2 TYR A 42 0.137 10.178 -1.449 1.00 34.44 H new ATOM 0 HB3 TYR A 42 0.408 8.475 -1.140 1.00 34.44 H new ATOM 0 HD1 TYR A 42 -2.888 10.006 -1.954 1.00 12.00 H new ATOM 0 HD2 TYR A 42 0.367 7.660 -3.387 1.00 24.40 H new ATOM 0 HE1 TYR A 42 -4.184 9.436 -3.960 1.00 10.02 H new ATOM 0 HE2 TYR A 42 -0.924 7.094 -5.397 1.00 25.44 H new ATOM 0 HH TYR A 42 -4.235 8.342 -5.879 1.00 25.20 H new ATOM 687 N PHE A 43 -3.251 8.007 0.116 1.00 1.33 N ATOM 688 CA PHE A 43 -4.049 6.806 0.331 1.00 55.14 C ATOM 689 C PHE A 43 -5.088 6.639 -0.775 1.00 62.20 C ATOM 690 O PHE A 43 -6.005 7.450 -0.908 1.00 5.12 O ATOM 691 CB PHE A 43 -4.744 6.866 1.693 1.00 63.22 C ATOM 692 CG PHE A 43 -4.833 5.533 2.379 1.00 23.32 C ATOM 693 CD1 PHE A 43 -4.773 4.357 1.648 1.00 2.05 C ATOM 694 CD2 PHE A 43 -4.977 5.455 3.755 1.00 1.41 C ATOM 695 CE1 PHE A 43 -4.854 3.129 2.277 1.00 71.40 C ATOM 696 CE2 PHE A 43 -5.058 4.230 4.389 1.00 33.00 C ATOM 697 CZ PHE A 43 -4.998 3.065 3.649 1.00 11.20 C ATOM 0 H PHE A 43 -3.794 8.836 -0.126 1.00 1.33 H new ATOM 0 HA PHE A 43 -3.379 5.946 0.310 1.00 55.14 H new ATOM 0 HB2 PHE A 43 -4.206 7.562 2.337 1.00 63.22 H new ATOM 0 HB3 PHE A 43 -5.749 7.266 1.562 1.00 63.22 H new ATOM 0 HD1 PHE A 43 -4.662 4.401 0.575 1.00 2.05 H new ATOM 0 HD2 PHE A 43 -5.026 6.362 4.339 1.00 1.41 H new ATOM 0 HE1 PHE A 43 -4.805 2.220 1.696 1.00 71.40 H new ATOM 0 HE2 PHE A 43 -5.168 4.183 5.462 1.00 33.00 H new ATOM 0 HZ PHE A 43 -5.064 2.106 4.142 1.00 11.20 H new ATOM 707 N ILE A 44 -4.936 5.582 -1.566 1.00 31.23 N ATOM 708 CA ILE A 44 -5.860 5.308 -2.659 1.00 71.42 C ATOM 709 C ILE A 44 -6.197 3.822 -2.735 1.00 11.33 C ATOM 710 O ILE A 44 -5.322 2.987 -2.961 1.00 22.31 O ATOM 711 CB ILE A 44 -5.281 5.761 -4.013 1.00 30.45 C ATOM 712 CG1 ILE A 44 -6.102 5.177 -5.164 1.00 54.52 C ATOM 713 CG2 ILE A 44 -3.823 5.344 -4.131 1.00 24.13 C ATOM 714 CD1 ILE A 44 -6.280 6.132 -6.324 1.00 1.42 C ATOM 0 H ILE A 44 -4.182 4.902 -1.470 1.00 31.23 H new ATOM 0 HA ILE A 44 -6.768 5.874 -2.453 1.00 71.42 H new ATOM 0 HB ILE A 44 -5.334 6.848 -4.069 1.00 30.45 H new ATOM 0 HG12 ILE A 44 -5.616 4.269 -5.522 1.00 54.52 H new ATOM 0 HG13 ILE A 44 -7.083 4.887 -4.789 1.00 54.52 H new ATOM 0 HG21 ILE A 44 -3.428 5.671 -5.093 1.00 24.13 H new ATOM 0 HG22 ILE A 44 -3.247 5.803 -3.327 1.00 24.13 H new ATOM 0 HG23 ILE A 44 -3.748 4.259 -4.058 1.00 24.13 H new ATOM 0 HD11 ILE A 44 -6.872 5.652 -7.103 1.00 1.42 H new ATOM 0 HD12 ILE A 44 -6.793 7.030 -5.980 1.00 1.42 H new ATOM 0 HD13 ILE A 44 -5.303 6.403 -6.725 1.00 1.42 H new ATOM 726 N VAL A 45 -7.473 3.500 -2.546 1.00 2.25 N ATOM 727 CA VAL A 45 -7.927 2.116 -2.595 1.00 71.41 C ATOM 728 C VAL A 45 -9.031 1.936 -3.631 1.00 51.30 C ATOM 729 O VAL A 45 -9.936 2.762 -3.738 1.00 54.43 O ATOM 730 CB VAL A 45 -8.445 1.645 -1.223 1.00 3.33 C ATOM 731 CG1 VAL A 45 -8.437 0.126 -1.141 1.00 53.40 C ATOM 732 CG2 VAL A 45 -7.612 2.252 -0.103 1.00 61.34 C ATOM 0 H VAL A 45 -8.210 4.179 -2.358 1.00 2.25 H new ATOM 0 HA VAL A 45 -7.065 1.511 -2.877 1.00 71.41 H new ATOM 0 HB VAL A 45 -9.474 1.985 -1.106 1.00 3.33 H new ATOM 0 HG11 VAL A 45 -8.806 -0.188 -0.165 1.00 53.40 H new ATOM 0 HG12 VAL A 45 -9.079 -0.284 -1.921 1.00 53.40 H new ATOM 0 HG13 VAL A 45 -7.420 -0.240 -1.279 1.00 53.40 H new ATOM 0 HG21 VAL A 45 -7.991 1.909 0.860 1.00 61.34 H new ATOM 0 HG22 VAL A 45 -6.573 1.943 -0.214 1.00 61.34 H new ATOM 0 HG23 VAL A 45 -7.675 3.339 -0.151 1.00 61.34 H new ATOM 742 N GLY A 46 -8.950 0.849 -4.393 1.00 4.52 N ATOM 743 CA GLY A 46 -9.948 0.581 -5.411 1.00 34.52 C ATOM 744 C GLY A 46 -10.460 -0.845 -5.358 1.00 71.34 C ATOM 745 O GLY A 46 -9.690 -1.780 -5.142 1.00 44.04 O ATOM 0 H GLY A 46 -8.211 0.150 -4.323 1.00 4.52 H new ATOM 0 HA2 GLY A 46 -10.784 1.269 -5.286 1.00 34.52 H new ATOM 0 HA3 GLY A 46 -9.520 0.774 -6.395 1.00 34.52 H new ATOM 749 N GLU A 47 -11.764 -1.012 -5.555 1.00 73.11 N ATOM 750 CA GLU A 47 -12.378 -2.335 -5.526 1.00 45.35 C ATOM 751 C GLU A 47 -12.409 -2.950 -6.923 1.00 31.15 C ATOM 752 O GLU A 47 -12.781 -2.292 -7.893 1.00 43.23 O ATOM 753 CB GLU A 47 -13.797 -2.251 -4.962 1.00 12.01 C ATOM 754 CG GLU A 47 -14.112 -3.334 -3.944 1.00 33.11 C ATOM 755 CD GLU A 47 -13.753 -4.722 -4.438 1.00 51.25 C ATOM 756 OE1 GLU A 47 -14.230 -5.106 -5.527 1.00 21.45 O ATOM 757 OE2 GLU A 47 -12.994 -5.423 -3.737 1.00 34.13 O ATOM 0 H GLU A 47 -12.415 -0.248 -5.736 1.00 73.11 H new ATOM 0 HA GLU A 47 -11.776 -2.973 -4.879 1.00 45.35 H new ATOM 0 HB2 GLU A 47 -13.937 -1.275 -4.497 1.00 12.01 H new ATOM 0 HB3 GLU A 47 -14.510 -2.318 -5.784 1.00 12.01 H new ATOM 0 HG2 GLU A 47 -13.569 -3.129 -3.021 1.00 33.11 H new ATOM 0 HG3 GLU A 47 -15.174 -3.302 -3.702 1.00 33.11 H new ATOM 875 N PRO A 56 -14.719 -10.746 -5.854 1.00 51.33 N ATOM 876 CA PRO A 56 -14.070 -9.431 -5.851 1.00 61.41 C ATOM 877 C PRO A 56 -12.680 -9.473 -5.226 1.00 21.05 C ATOM 878 O PRO A 56 -12.340 -10.412 -4.505 1.00 32.11 O ATOM 879 CB PRO A 56 -15.012 -8.572 -5.004 1.00 30.51 C ATOM 880 CG PRO A 56 -15.715 -9.542 -4.118 1.00 23.13 C ATOM 881 CD PRO A 56 -15.853 -10.808 -4.917 1.00 21.53 C ATOM 0 HA PRO A 56 -13.916 -9.050 -6.861 1.00 61.41 H new ATOM 0 HB2 PRO A 56 -14.460 -7.834 -4.423 1.00 30.51 H new ATOM 0 HB3 PRO A 56 -15.717 -8.024 -5.629 1.00 30.51 H new ATOM 0 HG2 PRO A 56 -15.148 -9.717 -3.204 1.00 23.13 H new ATOM 0 HG3 PRO A 56 -16.691 -9.161 -3.819 1.00 23.13 H new ATOM 0 HD2 PRO A 56 -15.801 -11.692 -4.281 1.00 21.53 H new ATOM 0 HD3 PRO A 56 -16.807 -10.849 -5.443 1.00 21.53 H new ATOM 889 N HIS A 57 -11.879 -8.449 -5.505 1.00 73.30 N ATOM 890 CA HIS A 57 -10.525 -8.369 -4.968 1.00 54.12 C ATOM 891 C HIS A 57 -10.189 -6.939 -4.554 1.00 72.41 C ATOM 892 O HIS A 57 -10.555 -5.982 -5.237 1.00 41.20 O ATOM 893 CB HIS A 57 -9.514 -8.864 -6.002 1.00 41.13 C ATOM 894 CG HIS A 57 -8.090 -8.603 -5.620 1.00 4.42 C ATOM 895 ND1 HIS A 57 -7.483 -7.373 -5.770 1.00 34.22 N ATOM 896 CD2 HIS A 57 -7.151 -9.421 -5.089 1.00 11.23 C ATOM 897 CE1 HIS A 57 -6.233 -7.447 -5.349 1.00 53.13 C ATOM 898 NE2 HIS A 57 -6.007 -8.679 -4.930 1.00 45.24 N ATOM 0 H HIS A 57 -12.144 -7.664 -6.099 1.00 73.30 H new ATOM 0 HA HIS A 57 -10.472 -9.006 -4.085 1.00 54.12 H new ATOM 0 HB2 HIS A 57 -9.652 -9.935 -6.149 1.00 41.13 H new ATOM 0 HB3 HIS A 57 -9.719 -8.382 -6.958 1.00 41.13 H new ATOM 0 HD1 HIS A 57 -7.930 -6.537 -6.147 1.00 34.22 H new ATOM 0 HD2 HIS A 57 -7.278 -10.464 -4.837 1.00 11.23 H new ATOM 0 HE1 HIS A 57 -5.518 -6.638 -5.348 1.00 53.13 H new ATOM 906 N LEU A 58 -9.492 -6.802 -3.432 1.00 21.42 N ATOM 907 CA LEU A 58 -9.107 -5.489 -2.926 1.00 22.53 C ATOM 908 C LEU A 58 -7.709 -5.110 -3.405 1.00 54.41 C ATOM 909 O LEU A 58 -6.723 -5.749 -3.041 1.00 33.25 O ATOM 910 CB LEU A 58 -9.155 -5.476 -1.397 1.00 31.11 C ATOM 911 CG LEU A 58 -9.811 -4.252 -0.757 1.00 32.22 C ATOM 912 CD1 LEU A 58 -9.645 -4.286 0.754 1.00 23.55 C ATOM 913 CD2 LEU A 58 -9.224 -2.971 -1.331 1.00 13.01 C ATOM 0 H LEU A 58 -9.182 -7.584 -2.855 1.00 21.42 H new ATOM 0 HA LEU A 58 -9.815 -4.756 -3.312 1.00 22.53 H new ATOM 0 HB2 LEU A 58 -9.688 -6.366 -1.063 1.00 31.11 H new ATOM 0 HB3 LEU A 58 -8.135 -5.555 -1.021 1.00 31.11 H new ATOM 0 HG LEU A 58 -10.877 -4.274 -0.985 1.00 32.22 H new ATOM 0 HD11 LEU A 58 -10.118 -3.407 1.192 1.00 23.55 H new ATOM 0 HD12 LEU A 58 -10.114 -5.186 1.151 1.00 23.55 H new ATOM 0 HD13 LEU A 58 -8.584 -4.289 1.003 1.00 23.55 H new ATOM 0 HD21 LEU A 58 -9.703 -2.110 -0.864 1.00 13.01 H new ATOM 0 HD22 LEU A 58 -8.152 -2.942 -1.134 1.00 13.01 H new ATOM 0 HD23 LEU A 58 -9.396 -2.942 -2.407 1.00 13.01 H new ATOM 925 N GLN A 59 -7.634 -4.064 -4.222 1.00 44.00 N ATOM 926 CA GLN A 59 -6.357 -3.598 -4.750 1.00 25.44 C ATOM 927 C GLN A 59 -6.200 -2.095 -4.549 1.00 54.51 C ATOM 928 O GLN A 59 -6.942 -1.301 -5.126 1.00 53.13 O ATOM 929 CB GLN A 59 -6.239 -3.942 -6.236 1.00 1.45 C ATOM 930 CG GLN A 59 -5.069 -3.261 -6.926 1.00 44.45 C ATOM 931 CD GLN A 59 -3.727 -3.726 -6.397 1.00 23.42 C ATOM 932 OE1 GLN A 59 -3.249 -3.077 -5.342 1.00 2.40 O flip ATOM 933 NE2 GLN A 59 -3.126 -4.660 -6.930 1.00 24.02 N flip ATOM 0 H GLN A 59 -8.442 -3.524 -4.532 1.00 44.00 H new ATOM 0 HA GLN A 59 -5.561 -4.103 -4.203 1.00 25.44 H new ATOM 0 HB2 GLN A 59 -6.135 -5.022 -6.343 1.00 1.45 H new ATOM 0 HB3 GLN A 59 -7.163 -3.659 -6.741 1.00 1.45 H new ATOM 0 HG2 GLN A 59 -5.120 -3.457 -7.997 1.00 44.45 H new ATOM 0 HG3 GLN A 59 -5.153 -2.182 -6.795 1.00 44.45 H new ATOM 0 HE21 GLN A 59 -3.530 -5.131 -7.739 1.00 24.02 H new ATOM 0 HE22 GLN A 59 -2.224 -4.962 -6.562 1.00 24.02 H new ATOM 942 N GLY A 60 -5.230 -1.710 -3.726 1.00 3.41 N ATOM 943 CA GLY A 60 -4.994 -0.302 -3.463 1.00 54.14 C ATOM 944 C GLY A 60 -3.548 -0.011 -3.116 1.00 0.23 C ATOM 945 O GLY A 60 -2.755 -0.929 -2.908 1.00 20.35 O ATOM 0 H GLY A 60 -4.603 -2.348 -3.236 1.00 3.41 H new ATOM 0 HA2 GLY A 60 -5.278 0.281 -4.339 1.00 54.14 H new ATOM 0 HA3 GLY A 60 -5.634 0.023 -2.643 1.00 54.14 H new ATOM 949 N PHE A 61 -3.202 1.271 -3.054 1.00 73.20 N ATOM 950 CA PHE A 61 -1.840 1.681 -2.732 1.00 34.31 C ATOM 951 C PHE A 61 -1.837 2.753 -1.646 1.00 35.41 C ATOM 952 O PHE A 61 -2.688 3.642 -1.634 1.00 70.24 O ATOM 953 CB PHE A 61 -1.133 2.205 -3.983 1.00 73.35 C ATOM 954 CG PHE A 61 0.112 2.989 -3.684 1.00 64.33 C ATOM 955 CD1 PHE A 61 1.160 2.410 -2.986 1.00 12.25 C ATOM 956 CD2 PHE A 61 0.236 4.304 -4.102 1.00 63.11 C ATOM 957 CE1 PHE A 61 2.307 3.130 -2.708 1.00 73.32 C ATOM 958 CE2 PHE A 61 1.381 5.028 -3.828 1.00 42.31 C ATOM 959 CZ PHE A 61 2.418 4.440 -3.131 1.00 61.11 C ATOM 0 H PHE A 61 -3.846 2.044 -3.223 1.00 73.20 H new ATOM 0 HA PHE A 61 -1.304 0.809 -2.359 1.00 34.31 H new ATOM 0 HB2 PHE A 61 -0.877 1.363 -4.625 1.00 73.35 H new ATOM 0 HB3 PHE A 61 -1.823 2.835 -4.544 1.00 73.35 H new ATOM 0 HD1 PHE A 61 1.080 1.385 -2.656 1.00 12.25 H new ATOM 0 HD2 PHE A 61 -0.571 4.769 -4.648 1.00 63.11 H new ATOM 0 HE1 PHE A 61 3.115 2.668 -2.161 1.00 73.32 H new ATOM 0 HE2 PHE A 61 1.465 6.053 -4.159 1.00 42.31 H new ATOM 0 HZ PHE A 61 3.314 5.004 -2.917 1.00 61.11 H new ATOM 969 N ALA A 62 -0.875 2.660 -0.734 1.00 42.34 N ATOM 970 CA ALA A 62 -0.759 3.622 0.355 1.00 74.11 C ATOM 971 C ALA A 62 0.689 4.058 0.551 1.00 55.30 C ATOM 972 O ALA A 62 1.580 3.227 0.714 1.00 65.23 O ATOM 973 CB ALA A 62 -1.313 3.030 1.642 1.00 32.25 C ATOM 0 H ALA A 62 -0.165 1.928 -0.728 1.00 42.34 H new ATOM 0 HA ALA A 62 -1.343 4.504 0.092 1.00 74.11 H new ATOM 0 HB1 ALA A 62 -1.220 3.759 2.447 1.00 32.25 H new ATOM 0 HB2 ALA A 62 -2.364 2.775 1.503 1.00 32.25 H new ATOM 0 HB3 ALA A 62 -0.753 2.131 1.900 1.00 32.25 H new ATOM 979 N ASN A 63 0.915 5.368 0.533 1.00 34.15 N ATOM 980 CA ASN A 63 2.255 5.914 0.708 1.00 4.52 C ATOM 981 C ASN A 63 2.527 6.231 2.176 1.00 60.42 C ATOM 982 O ASN A 63 1.844 7.057 2.781 1.00 51.23 O ATOM 983 CB ASN A 63 2.428 7.178 -0.138 1.00 32.24 C ATOM 984 CG ASN A 63 3.835 7.739 -0.059 1.00 35.15 C ATOM 985 OD1 ASN A 63 4.352 7.996 1.029 1.00 51.25 O ATOM 986 ND2 ASN A 63 4.460 7.931 -1.214 1.00 3.51 N ATOM 0 H ASN A 63 0.187 6.070 0.399 1.00 34.15 H new ATOM 0 HA ASN A 63 2.972 5.162 0.378 1.00 4.52 H new ATOM 0 HB2 ASN A 63 2.188 6.952 -1.177 1.00 32.24 H new ATOM 0 HB3 ASN A 63 1.719 7.935 0.196 1.00 32.24 H new ATOM 0 HD21 ASN A 63 5.408 8.306 -1.224 1.00 3.51 H new ATOM 0 HD22 ASN A 63 3.992 7.703 -2.091 1.00 3.51 H new ATOM 993 N PHE A 64 3.529 5.567 2.742 1.00 4.35 N ATOM 994 CA PHE A 64 3.892 5.777 4.139 1.00 31.24 C ATOM 995 C PHE A 64 4.600 7.116 4.323 1.00 61.14 C ATOM 996 O PHE A 64 5.567 7.420 3.624 1.00 3.22 O ATOM 997 CB PHE A 64 4.791 4.640 4.631 1.00 15.21 C ATOM 998 CG PHE A 64 4.094 3.683 5.555 1.00 23.43 C ATOM 999 CD1 PHE A 64 3.951 3.978 6.901 1.00 2.44 C ATOM 1000 CD2 PHE A 64 3.582 2.487 5.078 1.00 64.21 C ATOM 1001 CE1 PHE A 64 3.312 3.098 7.754 1.00 54.51 C ATOM 1002 CE2 PHE A 64 2.941 1.603 5.926 1.00 44.13 C ATOM 1003 CZ PHE A 64 2.805 1.910 7.265 1.00 21.03 C ATOM 0 H PHE A 64 4.104 4.879 2.255 1.00 4.35 H new ATOM 0 HA PHE A 64 2.975 5.788 4.728 1.00 31.24 H new ATOM 0 HB2 PHE A 64 5.172 4.090 3.770 1.00 15.21 H new ATOM 0 HB3 PHE A 64 5.653 5.065 5.144 1.00 15.21 H new ATOM 0 HD1 PHE A 64 4.343 4.907 7.288 1.00 2.44 H new ATOM 0 HD2 PHE A 64 3.685 2.242 4.031 1.00 64.21 H new ATOM 0 HE1 PHE A 64 3.209 3.339 8.802 1.00 54.51 H new ATOM 0 HE2 PHE A 64 2.547 0.674 5.541 1.00 44.13 H new ATOM 0 HZ PHE A 64 2.303 1.222 7.929 1.00 21.03 H new ATOM 1013 N VAL A 65 4.111 7.913 5.267 1.00 53.10 N ATOM 1014 CA VAL A 65 4.696 9.220 5.543 1.00 31.44 C ATOM 1015 C VAL A 65 6.151 9.089 5.979 1.00 61.12 C ATOM 1016 O VAL A 65 6.943 10.018 5.823 1.00 4.43 O ATOM 1017 CB VAL A 65 3.910 9.967 6.637 1.00 75.21 C ATOM 1018 CG1 VAL A 65 4.651 11.225 7.063 1.00 21.41 C ATOM 1019 CG2 VAL A 65 2.509 10.303 6.149 1.00 15.51 C ATOM 0 H VAL A 65 3.311 7.677 5.854 1.00 53.10 H new ATOM 0 HA VAL A 65 4.647 9.791 4.616 1.00 31.44 H new ATOM 0 HB VAL A 65 3.821 9.315 7.506 1.00 75.21 H new ATOM 0 HG11 VAL A 65 4.080 11.739 7.836 1.00 21.41 H new ATOM 0 HG12 VAL A 65 5.632 10.955 7.455 1.00 21.41 H new ATOM 0 HG13 VAL A 65 4.773 11.884 6.203 1.00 21.41 H new ATOM 0 HG21 VAL A 65 1.967 10.831 6.934 1.00 15.51 H new ATOM 0 HG22 VAL A 65 2.574 10.936 5.264 1.00 15.51 H new ATOM 0 HG23 VAL A 65 1.981 9.383 5.899 1.00 15.51 H new ATOM 1029 N LYS A 66 6.498 7.928 6.525 1.00 55.21 N ATOM 1030 CA LYS A 66 7.858 7.673 6.982 1.00 4.00 C ATOM 1031 C LYS A 66 8.420 6.408 6.341 1.00 74.04 C ATOM 1032 O LYS A 66 7.784 5.802 5.478 1.00 53.23 O ATOM 1033 CB LYS A 66 7.890 7.542 8.506 1.00 21.14 C ATOM 1034 CG LYS A 66 6.802 6.640 9.062 1.00 33.11 C ATOM 1035 CD LYS A 66 5.577 7.436 9.480 1.00 51.20 C ATOM 1036 CE LYS A 66 5.657 7.856 10.940 1.00 55.23 C ATOM 1037 NZ LYS A 66 4.806 9.045 11.222 1.00 54.31 N ATOM 0 H LYS A 66 5.855 7.148 6.662 1.00 55.21 H new ATOM 0 HA LYS A 66 8.479 8.517 6.683 1.00 4.00 H new ATOM 0 HB2 LYS A 66 8.862 7.153 8.808 1.00 21.14 H new ATOM 0 HB3 LYS A 66 7.791 8.533 8.950 1.00 21.14 H new ATOM 0 HG2 LYS A 66 6.519 5.904 8.310 1.00 33.11 H new ATOM 0 HG3 LYS A 66 7.188 6.088 9.919 1.00 33.11 H new ATOM 0 HD2 LYS A 66 5.484 8.321 8.850 1.00 51.20 H new ATOM 0 HD3 LYS A 66 4.681 6.837 9.321 1.00 51.20 H new ATOM 0 HE2 LYS A 66 5.344 7.027 11.574 1.00 55.23 H new ATOM 0 HE3 LYS A 66 6.692 8.081 11.197 1.00 55.23 H new ATOM 0 HZ1 LYS A 66 4.888 9.300 12.227 1.00 54.31 H new ATOM 0 HZ2 LYS A 66 5.121 9.844 10.635 1.00 54.31 H new ATOM 0 HZ3 LYS A 66 3.814 8.823 11.001 1.00 54.31 H new ATOM 1051 N LYS A 67 9.614 6.013 6.768 1.00 31.05 N ATOM 1052 CA LYS A 67 10.260 4.818 6.239 1.00 43.35 C ATOM 1053 C LYS A 67 9.876 3.586 7.051 1.00 73.22 C ATOM 1054 O LYS A 67 10.091 3.538 8.261 1.00 24.14 O ATOM 1055 CB LYS A 67 11.781 4.991 6.244 1.00 51.33 C ATOM 1056 CG LYS A 67 12.412 4.861 4.868 1.00 5.15 C ATOM 1057 CD LYS A 67 11.936 5.957 3.930 1.00 73.32 C ATOM 1058 CE LYS A 67 13.097 6.789 3.408 1.00 25.45 C ATOM 1059 NZ LYS A 67 13.841 6.086 2.326 1.00 22.04 N ATOM 0 H LYS A 67 10.155 6.504 7.480 1.00 31.05 H new ATOM 0 HA LYS A 67 9.919 4.676 5.213 1.00 43.35 H new ATOM 0 HB2 LYS A 67 12.026 5.970 6.656 1.00 51.33 H new ATOM 0 HB3 LYS A 67 12.221 4.247 6.908 1.00 51.33 H new ATOM 0 HG2 LYS A 67 13.497 4.905 4.959 1.00 5.15 H new ATOM 0 HG3 LYS A 67 12.167 3.887 4.445 1.00 5.15 H new ATOM 0 HD2 LYS A 67 11.400 5.512 3.091 1.00 73.32 H new ATOM 0 HD3 LYS A 67 11.230 6.603 4.452 1.00 73.32 H new ATOM 0 HE2 LYS A 67 12.722 7.740 3.031 1.00 25.45 H new ATOM 0 HE3 LYS A 67 13.778 7.017 4.228 1.00 25.45 H new ATOM 0 HZ1 LYS A 67 14.624 6.686 1.997 1.00 22.04 H new ATOM 0 HZ2 LYS A 67 14.221 5.190 2.692 1.00 22.04 H new ATOM 0 HZ3 LYS A 67 13.198 5.891 1.533 1.00 22.04 H new ATOM 1073 N GLN A 68 9.307 2.592 6.376 1.00 31.11 N ATOM 1074 CA GLN A 68 8.894 1.359 7.036 1.00 15.44 C ATOM 1075 C GLN A 68 9.311 0.139 6.222 1.00 11.23 C ATOM 1076 O GLN A 68 9.484 0.220 5.006 1.00 55.14 O ATOM 1077 CB GLN A 68 7.379 1.352 7.248 1.00 55.44 C ATOM 1078 CG GLN A 68 6.891 2.438 8.193 1.00 1.14 C ATOM 1079 CD GLN A 68 6.052 1.888 9.330 1.00 2.32 C ATOM 1080 OE1 GLN A 68 6.226 2.272 10.487 1.00 22.23 O ATOM 1081 NE2 GLN A 68 5.135 0.984 9.006 1.00 10.40 N ATOM 0 H GLN A 68 9.122 2.616 5.373 1.00 31.11 H new ATOM 0 HA GLN A 68 9.390 1.312 8.006 1.00 15.44 H new ATOM 0 HB2 GLN A 68 6.885 1.472 6.284 1.00 55.44 H new ATOM 0 HB3 GLN A 68 7.080 0.380 7.640 1.00 55.44 H new ATOM 0 HG2 GLN A 68 7.749 2.969 8.604 1.00 1.14 H new ATOM 0 HG3 GLN A 68 6.304 3.166 7.632 1.00 1.14 H new ATOM 0 HE21 GLN A 68 5.025 0.695 8.034 1.00 10.40 H new ATOM 0 HE22 GLN A 68 4.540 0.579 9.729 1.00 10.40 H new ATOM 1090 N THR A 69 9.472 -0.992 6.901 1.00 25.33 N ATOM 1091 CA THR A 69 9.871 -2.229 6.242 1.00 62.23 C ATOM 1092 C THR A 69 8.656 -3.069 5.866 1.00 15.15 C ATOM 1093 O THR A 69 7.528 -2.749 6.242 1.00 15.21 O ATOM 1094 CB THR A 69 10.804 -3.068 7.136 1.00 13.43 C ATOM 1095 OG1 THR A 69 10.041 -3.738 8.146 1.00 4.23 O ATOM 1096 CG2 THR A 69 11.860 -2.190 7.790 1.00 11.50 C ATOM 0 H THR A 69 9.332 -1.077 7.908 1.00 25.33 H new ATOM 0 HA THR A 69 10.407 -1.945 5.337 1.00 62.23 H new ATOM 0 HB THR A 69 11.305 -3.806 6.510 1.00 13.43 H new ATOM 0 HG1 THR A 69 10.640 -4.271 8.709 1.00 4.23 H new ATOM 0 HG21 THR A 69 12.507 -2.804 8.416 1.00 11.50 H new ATOM 0 HG22 THR A 69 12.457 -1.703 7.019 1.00 11.50 H new ATOM 0 HG23 THR A 69 11.374 -1.432 8.404 1.00 11.50 H new ATOM 1104 N PHE A 70 8.892 -4.145 5.124 1.00 60.30 N ATOM 1105 CA PHE A 70 7.815 -5.032 4.698 1.00 43.45 C ATOM 1106 C PHE A 70 7.119 -5.660 5.901 1.00 3.03 C ATOM 1107 O PHE A 70 5.902 -5.562 6.049 1.00 51.24 O ATOM 1108 CB PHE A 70 8.362 -6.128 3.780 1.00 15.24 C ATOM 1109 CG PHE A 70 7.486 -7.346 3.715 1.00 74.12 C ATOM 1110 CD1 PHE A 70 6.377 -7.375 2.885 1.00 53.53 C ATOM 1111 CD2 PHE A 70 7.771 -8.463 4.484 1.00 52.20 C ATOM 1112 CE1 PHE A 70 5.569 -8.494 2.822 1.00 73.23 C ATOM 1113 CE2 PHE A 70 6.967 -9.585 4.425 1.00 72.42 C ATOM 1114 CZ PHE A 70 5.864 -9.601 3.594 1.00 53.33 C ATOM 0 H PHE A 70 9.820 -4.425 4.805 1.00 60.30 H new ATOM 0 HA PHE A 70 7.085 -4.438 4.148 1.00 43.45 H new ATOM 0 HB2 PHE A 70 8.483 -5.723 2.775 1.00 15.24 H new ATOM 0 HB3 PHE A 70 9.353 -6.421 4.127 1.00 15.24 H new ATOM 0 HD1 PHE A 70 6.141 -6.512 2.280 1.00 53.53 H new ATOM 0 HD2 PHE A 70 8.631 -8.456 5.137 1.00 52.20 H new ATOM 0 HE1 PHE A 70 4.708 -8.503 2.170 1.00 73.23 H new ATOM 0 HE2 PHE A 70 7.201 -10.449 5.029 1.00 72.42 H new ATOM 0 HZ PHE A 70 5.234 -10.477 3.548 1.00 53.33 H new ATOM 1124 N ASN A 71 7.902 -6.306 6.759 1.00 21.31 N ATOM 1125 CA ASN A 71 7.362 -6.952 7.950 1.00 73.33 C ATOM 1126 C ASN A 71 6.699 -5.931 8.870 1.00 64.04 C ATOM 1127 O ASN A 71 5.629 -6.181 9.425 1.00 43.32 O ATOM 1128 CB ASN A 71 8.471 -7.690 8.703 1.00 74.02 C ATOM 1129 CG ASN A 71 8.601 -9.137 8.268 1.00 34.14 C ATOM 1130 OD1 ASN A 71 7.920 -10.018 8.794 1.00 22.20 O ATOM 1131 ND2 ASN A 71 9.478 -9.389 7.304 1.00 41.41 N ATOM 0 H ASN A 71 8.912 -6.396 6.652 1.00 21.31 H new ATOM 0 HA ASN A 71 6.607 -7.671 7.632 1.00 73.33 H new ATOM 0 HB2 ASN A 71 9.419 -7.178 8.541 1.00 74.02 H new ATOM 0 HB3 ASN A 71 8.267 -7.652 9.773 1.00 74.02 H new ATOM 0 HD21 ASN A 71 9.609 -10.344 6.970 1.00 41.41 H new ATOM 0 HD22 ASN A 71 10.021 -8.628 6.897 1.00 41.41 H new ATOM 1138 N LYS A 72 7.343 -4.779 9.026 1.00 72.01 N ATOM 1139 CA LYS A 72 6.817 -3.718 9.876 1.00 10.33 C ATOM 1140 C LYS A 72 5.499 -3.183 9.326 1.00 13.42 C ATOM 1141 O LYS A 72 4.516 -3.055 10.056 1.00 32.45 O ATOM 1142 CB LYS A 72 7.833 -2.579 9.993 1.00 32.10 C ATOM 1143 CG LYS A 72 7.733 -1.806 11.296 1.00 14.25 C ATOM 1144 CD LYS A 72 6.671 -0.721 11.221 1.00 4.11 C ATOM 1145 CE LYS A 72 6.106 -0.398 12.596 1.00 73.15 C ATOM 1146 NZ LYS A 72 7.114 0.263 13.469 1.00 24.22 N ATOM 0 H LYS A 72 8.230 -4.557 8.575 1.00 72.01 H new ATOM 0 HA LYS A 72 6.634 -4.137 10.866 1.00 10.33 H new ATOM 0 HB2 LYS A 72 8.838 -2.989 9.900 1.00 32.10 H new ATOM 0 HB3 LYS A 72 7.692 -1.890 9.160 1.00 32.10 H new ATOM 0 HG2 LYS A 72 7.497 -2.492 12.110 1.00 14.25 H new ATOM 0 HG3 LYS A 72 8.698 -1.356 11.528 1.00 14.25 H new ATOM 0 HD2 LYS A 72 7.100 0.180 10.782 1.00 4.11 H new ATOM 0 HD3 LYS A 72 5.865 -1.044 10.562 1.00 4.11 H new ATOM 0 HE2 LYS A 72 5.237 0.252 12.488 1.00 73.15 H new ATOM 0 HE3 LYS A 72 5.760 -1.316 13.071 1.00 73.15 H new ATOM 0 HZ1 LYS A 72 6.690 0.467 14.397 1.00 24.22 H new ATOM 0 HZ2 LYS A 72 7.932 -0.367 13.593 1.00 24.22 H new ATOM 0 HZ3 LYS A 72 7.425 1.152 13.028 1.00 24.22 H new ATOM 1160 N VAL A 73 5.485 -2.872 8.034 1.00 55.21 N ATOM 1161 CA VAL A 73 4.286 -2.353 7.385 1.00 1.05 C ATOM 1162 C VAL A 73 3.094 -3.274 7.617 1.00 74.33 C ATOM 1163 O VAL A 73 1.943 -2.836 7.601 1.00 44.54 O ATOM 1164 CB VAL A 73 4.499 -2.178 5.870 1.00 1.51 C ATOM 1165 CG1 VAL A 73 3.166 -1.995 5.161 1.00 71.11 C ATOM 1166 CG2 VAL A 73 5.424 -1.001 5.595 1.00 31.42 C ATOM 0 H VAL A 73 6.290 -2.970 7.416 1.00 55.21 H new ATOM 0 HA VAL A 73 4.081 -1.379 7.830 1.00 1.05 H new ATOM 0 HB VAL A 73 4.970 -3.080 5.480 1.00 1.51 H new ATOM 0 HG11 VAL A 73 3.337 -1.873 4.091 1.00 71.11 H new ATOM 0 HG12 VAL A 73 2.540 -2.871 5.331 1.00 71.11 H new ATOM 0 HG13 VAL A 73 2.665 -1.110 5.552 1.00 71.11 H new ATOM 0 HG21 VAL A 73 5.564 -0.892 4.520 1.00 31.42 H new ATOM 0 HG22 VAL A 73 4.983 -0.090 5.998 1.00 31.42 H new ATOM 0 HG23 VAL A 73 6.389 -1.178 6.070 1.00 31.42 H new ATOM 1176 N LYS A 74 3.375 -4.555 7.832 1.00 4.34 N ATOM 1177 CA LYS A 74 2.327 -5.540 8.069 1.00 10.02 C ATOM 1178 C LYS A 74 1.578 -5.237 9.363 1.00 55.24 C ATOM 1179 O LYS A 74 0.523 -5.814 9.630 1.00 45.22 O ATOM 1180 CB LYS A 74 2.926 -6.947 8.132 1.00 54.00 C ATOM 1181 CG LYS A 74 3.723 -7.325 6.895 1.00 13.44 C ATOM 1182 CD LYS A 74 3.446 -8.757 6.470 1.00 44.23 C ATOM 1183 CE LYS A 74 2.753 -8.812 5.117 1.00 30.31 C ATOM 1184 NZ LYS A 74 1.556 -7.927 5.071 1.00 62.34 N ATOM 0 H LYS A 74 4.321 -4.935 7.847 1.00 4.34 H new ATOM 0 HA LYS A 74 1.621 -5.489 7.240 1.00 10.02 H new ATOM 0 HB2 LYS A 74 3.573 -7.019 9.006 1.00 54.00 H new ATOM 0 HB3 LYS A 74 2.122 -7.669 8.270 1.00 54.00 H new ATOM 0 HG2 LYS A 74 3.473 -6.647 6.079 1.00 13.44 H new ATOM 0 HG3 LYS A 74 4.787 -7.203 7.096 1.00 13.44 H new ATOM 0 HD2 LYS A 74 4.383 -9.312 6.423 1.00 44.23 H new ATOM 0 HD3 LYS A 74 2.823 -9.246 7.219 1.00 44.23 H new ATOM 0 HE2 LYS A 74 3.454 -8.515 4.337 1.00 30.31 H new ATOM 0 HE3 LYS A 74 2.454 -9.838 4.903 1.00 30.31 H new ATOM 0 HZ1 LYS A 74 0.906 -8.260 4.330 1.00 62.34 H new ATOM 0 HZ2 LYS A 74 1.072 -7.949 5.991 1.00 62.34 H new ATOM 0 HZ3 LYS A 74 1.852 -6.953 4.859 1.00 62.34 H new ATOM 1198 N TRP A 75 2.127 -4.328 10.160 1.00 22.32 N ATOM 1199 CA TRP A 75 1.509 -3.948 11.425 1.00 10.22 C ATOM 1200 C TRP A 75 0.226 -3.160 11.189 1.00 55.45 C ATOM 1201 O TRP A 75 -0.628 -3.066 12.071 1.00 74.34 O ATOM 1202 CB TRP A 75 2.484 -3.119 12.264 1.00 74.40 C ATOM 1203 CG TRP A 75 2.565 -1.685 11.836 1.00 33.24 C ATOM 1204 CD1 TRP A 75 2.570 -1.211 10.556 1.00 42.13 C ATOM 1205 CD2 TRP A 75 2.654 -0.540 12.691 1.00 40.11 C ATOM 1206 NE1 TRP A 75 2.657 0.160 10.563 1.00 45.43 N ATOM 1207 CE2 TRP A 75 2.709 0.596 11.860 1.00 3.42 C ATOM 1208 CE3 TRP A 75 2.690 -0.363 14.077 1.00 65.44 C ATOM 1209 CZ2 TRP A 75 2.800 1.888 12.372 1.00 44.24 C ATOM 1210 CZ3 TRP A 75 2.781 0.919 14.583 1.00 42.34 C ATOM 1211 CH2 TRP A 75 2.834 2.032 13.732 1.00 24.40 C ATOM 0 H TRP A 75 2.999 -3.840 9.953 1.00 22.32 H new ATOM 0 HA TRP A 75 1.259 -4.860 11.967 1.00 10.22 H new ATOM 0 HB2 TRP A 75 2.180 -3.162 13.310 1.00 74.40 H new ATOM 0 HB3 TRP A 75 3.476 -3.566 12.202 1.00 74.40 H new ATOM 0 HD1 TRP A 75 2.514 -1.824 9.668 1.00 42.13 H new ATOM 0 HE1 TRP A 75 2.679 0.757 9.736 1.00 45.43 H new ATOM 0 HE3 TRP A 75 2.647 -1.214 14.741 1.00 65.44 H new ATOM 0 HZ2 TRP A 75 2.842 2.746 11.718 1.00 44.24 H new ATOM 0 HZ3 TRP A 75 2.812 1.067 15.652 1.00 42.34 H new ATOM 0 HH2 TRP A 75 2.903 3.022 14.158 1.00 24.40 H new ATOM 1222 N TYR A 76 0.095 -2.594 9.994 1.00 65.24 N ATOM 1223 CA TYR A 76 -1.084 -1.812 9.642 1.00 3.14 C ATOM 1224 C TYR A 76 -1.888 -2.502 8.545 1.00 52.20 C ATOM 1225 O TYR A 76 -3.099 -2.692 8.672 1.00 24.10 O ATOM 1226 CB TYR A 76 -0.675 -0.411 9.186 1.00 45.42 C ATOM 1227 CG TYR A 76 -0.893 0.656 10.235 1.00 24.12 C ATOM 1228 CD1 TYR A 76 -2.037 0.660 11.023 1.00 21.31 C ATOM 1229 CD2 TYR A 76 0.047 1.659 10.439 1.00 14.54 C ATOM 1230 CE1 TYR A 76 -2.240 1.633 11.982 1.00 35.33 C ATOM 1231 CE2 TYR A 76 -0.148 2.636 11.397 1.00 21.34 C ATOM 1232 CZ TYR A 76 -1.293 2.618 12.166 1.00 52.31 C ATOM 1233 OH TYR A 76 -1.492 3.588 13.121 1.00 4.44 O ATOM 0 H TYR A 76 0.792 -2.662 9.252 1.00 65.24 H new ATOM 0 HA TYR A 76 -1.712 -1.729 10.529 1.00 3.14 H new ATOM 0 HB2 TYR A 76 0.378 -0.423 8.905 1.00 45.42 H new ATOM 0 HB3 TYR A 76 -1.240 -0.150 8.291 1.00 45.42 H new ATOM 0 HD1 TYR A 76 -2.780 -0.111 10.883 1.00 21.31 H new ATOM 0 HD2 TYR A 76 0.945 1.675 9.839 1.00 14.54 H new ATOM 0 HE1 TYR A 76 -3.136 1.622 12.585 1.00 35.33 H new ATOM 0 HE2 TYR A 76 0.592 3.409 11.543 1.00 21.34 H new ATOM 0 HH TYR A 76 -0.693 3.662 13.683 1.00 4.44 H new ATOM 1243 N LEU A 77 -1.207 -2.875 7.467 1.00 31.23 N ATOM 1244 CA LEU A 77 -1.856 -3.545 6.346 1.00 74.30 C ATOM 1245 C LEU A 77 -2.322 -4.943 6.742 1.00 12.33 C ATOM 1246 O LEU A 77 -3.356 -5.419 6.276 1.00 62.34 O ATOM 1247 CB LEU A 77 -0.900 -3.633 5.155 1.00 10.33 C ATOM 1248 CG LEU A 77 -0.681 -2.337 4.374 1.00 3.31 C ATOM 1249 CD1 LEU A 77 0.512 -2.471 3.441 1.00 65.52 C ATOM 1250 CD2 LEU A 77 -1.933 -1.967 3.592 1.00 3.12 C ATOM 0 H LEU A 77 -0.205 -2.725 7.346 1.00 31.23 H new ATOM 0 HA LEU A 77 -2.729 -2.958 6.061 1.00 74.30 H new ATOM 0 HB2 LEU A 77 0.067 -3.984 5.516 1.00 10.33 H new ATOM 0 HB3 LEU A 77 -1.277 -4.389 4.467 1.00 10.33 H new ATOM 0 HG LEU A 77 -0.472 -1.538 5.085 1.00 3.31 H new ATOM 0 HD11 LEU A 77 0.652 -1.539 2.894 1.00 65.52 H new ATOM 0 HD12 LEU A 77 1.407 -2.688 4.024 1.00 65.52 H new ATOM 0 HD13 LEU A 77 0.333 -3.283 2.736 1.00 65.52 H new ATOM 0 HD21 LEU A 77 -1.759 -1.042 3.042 1.00 3.12 H new ATOM 0 HD22 LEU A 77 -2.173 -2.766 2.891 1.00 3.12 H new ATOM 0 HD23 LEU A 77 -2.765 -1.828 4.282 1.00 3.12 H new ATOM 1262 N GLY A 78 -1.552 -5.594 7.609 1.00 72.10 N ATOM 1263 CA GLY A 78 -1.903 -6.930 8.055 1.00 15.54 C ATOM 1264 C GLY A 78 -1.301 -8.011 7.180 1.00 2.43 C ATOM 1265 O GLY A 78 -1.078 -7.801 5.988 1.00 21.14 O ATOM 0 H GLY A 78 -0.692 -5.220 8.010 1.00 72.10 H new ATOM 0 HA2 GLY A 78 -1.564 -7.068 9.082 1.00 15.54 H new ATOM 0 HA3 GLY A 78 -2.988 -7.034 8.061 1.00 15.54 H new ATOM 1269 N ALA A 79 -1.035 -9.170 7.773 1.00 1.24 N ATOM 1270 CA ALA A 79 -0.455 -10.288 7.040 1.00 44.22 C ATOM 1271 C ALA A 79 -1.496 -10.964 6.155 1.00 54.42 C ATOM 1272 O ALA A 79 -1.161 -11.571 5.138 1.00 42.54 O ATOM 1273 CB ALA A 79 0.153 -11.294 8.006 1.00 62.24 C ATOM 0 H ALA A 79 -1.212 -9.359 8.760 1.00 1.24 H new ATOM 0 HA ALA A 79 0.333 -9.898 6.396 1.00 44.22 H new ATOM 0 HB1 ALA A 79 0.583 -12.124 7.445 1.00 62.24 H new ATOM 0 HB2 ALA A 79 0.934 -10.810 8.592 1.00 62.24 H new ATOM 0 HB3 ALA A 79 -0.621 -11.670 8.674 1.00 62.24 H new ATOM 1279 N ARG A 80 -2.761 -10.855 6.549 1.00 60.01 N ATOM 1280 CA ARG A 80 -3.852 -11.458 5.792 1.00 45.31 C ATOM 1281 C ARG A 80 -3.790 -11.041 4.325 1.00 35.13 C ATOM 1282 O ARG A 80 -4.068 -11.841 3.431 1.00 44.15 O ATOM 1283 CB ARG A 80 -5.200 -11.056 6.392 1.00 52.53 C ATOM 1284 CG ARG A 80 -5.347 -11.421 7.860 1.00 50.42 C ATOM 1285 CD ARG A 80 -6.670 -12.119 8.130 1.00 34.24 C ATOM 1286 NE ARG A 80 -6.594 -13.555 7.875 1.00 63.01 N ATOM 1287 CZ ARG A 80 -6.026 -14.420 8.708 1.00 70.44 C ATOM 1288 NH1 ARG A 80 -5.489 -13.998 9.844 1.00 43.54 N ATOM 1289 NH2 ARG A 80 -5.996 -15.712 8.405 1.00 44.01 N ATOM 0 H ARG A 80 -3.056 -10.355 7.388 1.00 60.01 H new ATOM 0 HA ARG A 80 -3.746 -12.541 5.849 1.00 45.31 H new ATOM 0 HB2 ARG A 80 -5.332 -9.980 6.279 1.00 52.53 H new ATOM 0 HB3 ARG A 80 -5.998 -11.536 5.825 1.00 52.53 H new ATOM 0 HG2 ARG A 80 -4.524 -12.070 8.159 1.00 50.42 H new ATOM 0 HG3 ARG A 80 -5.279 -10.519 8.469 1.00 50.42 H new ATOM 0 HD2 ARG A 80 -6.964 -11.950 9.166 1.00 34.24 H new ATOM 0 HD3 ARG A 80 -7.446 -11.680 7.503 1.00 34.24 H new ATOM 0 HE ARG A 80 -6.999 -13.913 7.010 1.00 63.01 H new ATOM 0 HH11 ARG A 80 -5.511 -13.006 10.081 1.00 43.54 H new ATOM 0 HH12 ARG A 80 -5.054 -14.665 10.481 1.00 43.54 H new ATOM 0 HH21 ARG A 80 -6.409 -16.041 7.532 1.00 44.01 H new ATOM 0 HH22 ARG A 80 -5.560 -16.376 9.045 1.00 44.01 H new ATOM 1303 N CYS A 81 -3.427 -9.786 4.087 1.00 40.01 N ATOM 1304 CA CYS A 81 -3.331 -9.263 2.729 1.00 41.52 C ATOM 1305 C CYS A 81 -1.878 -9.212 2.267 1.00 11.22 C ATOM 1306 O CYS A 81 -0.979 -8.895 3.047 1.00 64.44 O ATOM 1307 CB CYS A 81 -3.952 -7.867 2.653 1.00 61.03 C ATOM 1308 SG CYS A 81 -2.963 -6.575 3.442 1.00 34.10 S ATOM 0 H CYS A 81 -3.194 -9.112 4.816 1.00 40.01 H new ATOM 0 HA CYS A 81 -3.880 -9.934 2.068 1.00 41.52 H new ATOM 0 HB2 CYS A 81 -4.104 -7.605 1.606 1.00 61.03 H new ATOM 0 HB3 CYS A 81 -4.936 -7.893 3.121 1.00 61.03 H new ATOM 0 HG CYS A 81 -3.423 -6.345 4.636 1.00 34.10 H new ATOM 1314 N HIS A 82 -1.655 -9.527 0.995 1.00 33.13 N ATOM 1315 CA HIS A 82 -0.311 -9.519 0.430 1.00 42.53 C ATOM 1316 C HIS A 82 0.135 -8.095 0.110 1.00 52.14 C ATOM 1317 O HIS A 82 -0.561 -7.359 -0.591 1.00 32.32 O ATOM 1318 CB HIS A 82 -0.261 -10.377 -0.834 1.00 70.34 C ATOM 1319 CG HIS A 82 1.130 -10.661 -1.311 1.00 61.12 C ATOM 1320 ND1 HIS A 82 2.056 -11.356 -0.562 1.00 34.14 N ATOM 1321 CD2 HIS A 82 1.751 -10.341 -2.470 1.00 42.15 C ATOM 1322 CE1 HIS A 82 3.186 -11.450 -1.238 1.00 43.53 C ATOM 1323 NE2 HIS A 82 3.028 -10.842 -2.400 1.00 52.14 N ATOM 0 H HIS A 82 -2.388 -9.791 0.336 1.00 33.13 H new ATOM 0 HA HIS A 82 0.370 -9.937 1.171 1.00 42.53 H new ATOM 0 HB2 HIS A 82 -0.770 -11.321 -0.642 1.00 70.34 H new ATOM 0 HB3 HIS A 82 -0.812 -9.873 -1.628 1.00 70.34 H new ATOM 0 HD2 HIS A 82 1.322 -9.794 -3.296 1.00 42.15 H new ATOM 0 HE1 HIS A 82 4.086 -11.941 -0.899 1.00 43.53 H new ATOM 0 HE2 HIS A 82 3.739 -10.758 -3.127 1.00 52.14 H new ATOM 1331 N ILE A 83 1.298 -7.714 0.627 1.00 15.45 N ATOM 1332 CA ILE A 83 1.835 -6.379 0.396 1.00 2.32 C ATOM 1333 C ILE A 83 3.111 -6.437 -0.437 1.00 50.40 C ATOM 1334 O ILE A 83 3.891 -7.382 -0.330 1.00 2.04 O ATOM 1335 CB ILE A 83 2.134 -5.655 1.722 1.00 11.43 C ATOM 1336 CG1 ILE A 83 3.193 -6.419 2.519 1.00 62.23 C ATOM 1337 CG2 ILE A 83 0.860 -5.498 2.539 1.00 71.10 C ATOM 1338 CD1 ILE A 83 3.723 -5.653 3.711 1.00 73.13 C ATOM 0 H ILE A 83 1.886 -8.311 1.208 1.00 15.45 H new ATOM 0 HA ILE A 83 1.073 -5.822 -0.149 1.00 2.32 H new ATOM 0 HB ILE A 83 2.523 -4.662 1.496 1.00 11.43 H new ATOM 0 HG12 ILE A 83 2.767 -7.361 2.863 1.00 62.23 H new ATOM 0 HG13 ILE A 83 4.024 -6.667 1.859 1.00 62.23 H new ATOM 0 HG21 ILE A 83 1.088 -4.985 3.473 1.00 71.10 H new ATOM 0 HG22 ILE A 83 0.134 -4.915 1.972 1.00 71.10 H new ATOM 0 HG23 ILE A 83 0.444 -6.482 2.758 1.00 71.10 H new ATOM 0 HD11 ILE A 83 4.469 -6.256 4.228 1.00 73.13 H new ATOM 0 HD12 ILE A 83 4.179 -4.723 3.372 1.00 73.13 H new ATOM 0 HD13 ILE A 83 2.903 -5.428 4.393 1.00 73.13 H new ATOM 1350 N GLU A 84 3.317 -5.418 -1.266 1.00 53.10 N ATOM 1351 CA GLU A 84 4.499 -5.353 -2.117 1.00 21.11 C ATOM 1352 C GLU A 84 4.933 -3.907 -2.336 1.00 2.41 C ATOM 1353 O GLU A 84 4.175 -2.972 -2.076 1.00 31.34 O ATOM 1354 CB GLU A 84 4.223 -6.024 -3.464 1.00 54.31 C ATOM 1355 CG GLU A 84 5.458 -6.633 -4.106 1.00 31.04 C ATOM 1356 CD GLU A 84 5.137 -7.406 -5.370 1.00 64.12 C ATOM 1357 OE1 GLU A 84 4.394 -8.406 -5.283 1.00 4.21 O ATOM 1358 OE2 GLU A 84 5.630 -7.010 -6.447 1.00 61.45 O ATOM 0 H GLU A 84 2.681 -4.627 -1.366 1.00 53.10 H new ATOM 0 HA GLU A 84 5.307 -5.884 -1.614 1.00 21.11 H new ATOM 0 HB2 GLU A 84 3.474 -6.804 -3.325 1.00 54.31 H new ATOM 0 HB3 GLU A 84 3.795 -5.289 -4.145 1.00 54.31 H new ATOM 0 HG2 GLU A 84 6.169 -5.841 -4.340 1.00 31.04 H new ATOM 0 HG3 GLU A 84 5.944 -7.298 -3.392 1.00 31.04 H new ATOM 1365 N LYS A 85 6.159 -3.729 -2.816 1.00 25.42 N ATOM 1366 CA LYS A 85 6.697 -2.398 -3.071 1.00 73.23 C ATOM 1367 C LYS A 85 6.105 -1.808 -4.347 1.00 75.22 C ATOM 1368 O LYS A 85 6.049 -2.472 -5.382 1.00 23.22 O ATOM 1369 CB LYS A 85 8.222 -2.454 -3.183 1.00 30.13 C ATOM 1370 CG LYS A 85 8.941 -1.892 -1.969 1.00 44.40 C ATOM 1371 CD LYS A 85 10.180 -2.703 -1.629 1.00 61.42 C ATOM 1372 CE LYS A 85 11.270 -2.521 -2.674 1.00 42.20 C ATOM 1373 NZ LYS A 85 11.894 -3.818 -3.058 1.00 14.33 N ATOM 0 H LYS A 85 6.800 -4.491 -3.037 1.00 25.42 H new ATOM 0 HA LYS A 85 6.424 -1.756 -2.233 1.00 73.23 H new ATOM 0 HB2 LYS A 85 8.530 -3.489 -3.330 1.00 30.13 H new ATOM 0 HB3 LYS A 85 8.534 -1.900 -4.068 1.00 30.13 H new ATOM 0 HG2 LYS A 85 9.224 -0.857 -2.160 1.00 44.40 H new ATOM 0 HG3 LYS A 85 8.264 -1.885 -1.115 1.00 44.40 H new ATOM 0 HD2 LYS A 85 10.557 -2.401 -0.652 1.00 61.42 H new ATOM 0 HD3 LYS A 85 9.917 -3.758 -1.556 1.00 61.42 H new ATOM 0 HE2 LYS A 85 10.848 -2.045 -3.559 1.00 42.20 H new ATOM 0 HE3 LYS A 85 12.037 -1.850 -2.286 1.00 42.20 H new ATOM 0 HZ1 LYS A 85 12.632 -3.651 -3.772 1.00 14.33 H new ATOM 0 HZ2 LYS A 85 12.319 -4.261 -2.218 1.00 14.33 H new ATOM 0 HZ3 LYS A 85 11.168 -4.449 -3.452 1.00 14.33 H new ATOM 1387 N ALA A 86 5.664 -0.557 -4.266 1.00 43.22 N ATOM 1388 CA ALA A 86 5.080 0.123 -5.415 1.00 52.24 C ATOM 1389 C ALA A 86 6.135 0.918 -6.178 1.00 73.41 C ATOM 1390 O ALA A 86 7.182 1.264 -5.631 1.00 51.12 O ATOM 1391 CB ALA A 86 3.949 1.037 -4.969 1.00 13.45 C ATOM 0 H ALA A 86 5.700 0.006 -3.416 1.00 43.22 H new ATOM 0 HA ALA A 86 4.677 -0.635 -6.087 1.00 52.24 H new ATOM 0 HB1 ALA A 86 3.522 1.538 -5.838 1.00 13.45 H new ATOM 0 HB2 ALA A 86 3.177 0.447 -4.475 1.00 13.45 H new ATOM 0 HB3 ALA A 86 4.336 1.782 -4.274 1.00 13.45 H new ATOM 1397 N LYS A 87 5.852 1.203 -7.445 1.00 25.13 N ATOM 1398 CA LYS A 87 6.776 1.957 -8.284 1.00 2.13 C ATOM 1399 C LYS A 87 6.019 2.794 -9.310 1.00 4.20 C ATOM 1400 O LYS A 87 4.999 2.364 -9.846 1.00 21.42 O ATOM 1401 CB LYS A 87 7.742 1.007 -8.997 1.00 14.45 C ATOM 1402 CG LYS A 87 7.098 0.221 -10.125 1.00 64.34 C ATOM 1403 CD LYS A 87 7.503 -1.243 -10.086 1.00 32.54 C ATOM 1404 CE LYS A 87 7.005 -1.993 -11.312 1.00 40.32 C ATOM 1405 NZ LYS A 87 7.849 -1.721 -12.508 1.00 63.25 N ATOM 0 H LYS A 87 4.990 0.923 -7.913 1.00 25.13 H new ATOM 0 HA LYS A 87 7.345 2.629 -7.642 1.00 2.13 H new ATOM 0 HB2 LYS A 87 8.576 1.583 -9.397 1.00 14.45 H new ATOM 0 HB3 LYS A 87 8.156 0.309 -8.269 1.00 14.45 H new ATOM 0 HG2 LYS A 87 6.013 0.302 -10.053 1.00 64.34 H new ATOM 0 HG3 LYS A 87 7.387 0.654 -11.083 1.00 64.34 H new ATOM 0 HD2 LYS A 87 8.589 -1.320 -10.028 1.00 32.54 H new ATOM 0 HD3 LYS A 87 7.102 -1.709 -9.186 1.00 32.54 H new ATOM 0 HE2 LYS A 87 7.001 -3.063 -11.106 1.00 40.32 H new ATOM 0 HE3 LYS A 87 5.975 -1.704 -11.521 1.00 40.32 H new ATOM 0 HZ1 LYS A 87 7.477 -2.250 -13.323 1.00 63.25 H new ATOM 0 HZ2 LYS A 87 7.833 -0.703 -12.720 1.00 63.25 H new ATOM 0 HZ3 LYS A 87 8.827 -2.020 -12.318 1.00 63.25 H new ATOM 1419 N GLY A 88 6.528 3.993 -9.580 1.00 74.13 N ATOM 1420 CA GLY A 88 5.887 4.870 -10.543 1.00 2.23 C ATOM 1421 C GLY A 88 5.518 6.214 -9.946 1.00 42.03 C ATOM 1422 O GLY A 88 5.829 6.495 -8.788 1.00 71.02 O ATOM 0 H GLY A 88 7.372 4.372 -9.150 1.00 74.13 H new ATOM 0 HA2 GLY A 88 6.554 5.023 -11.391 1.00 2.23 H new ATOM 0 HA3 GLY A 88 4.988 4.388 -10.928 1.00 2.23 H new ATOM 1426 N THR A 89 4.854 7.049 -10.739 1.00 51.40 N ATOM 1427 CA THR A 89 4.445 8.372 -10.284 1.00 54.11 C ATOM 1428 C THR A 89 3.051 8.335 -9.668 1.00 31.33 C ATOM 1429 O THR A 89 2.380 7.303 -9.689 1.00 21.55 O ATOM 1430 CB THR A 89 4.456 9.392 -11.439 1.00 33.43 C ATOM 1431 OG1 THR A 89 3.332 9.170 -12.299 1.00 5.13 O ATOM 1432 CG2 THR A 89 5.744 9.286 -12.241 1.00 52.42 C ATOM 0 H THR A 89 4.588 6.832 -11.700 1.00 51.40 H new ATOM 0 HA THR A 89 5.166 8.683 -9.528 1.00 54.11 H new ATOM 0 HB THR A 89 4.394 10.393 -11.012 1.00 33.43 H new ATOM 0 HG1 THR A 89 3.605 8.612 -13.057 1.00 5.13 H new ATOM 0 HG21 THR A 89 5.729 10.015 -13.051 1.00 52.42 H new ATOM 0 HG22 THR A 89 6.595 9.484 -11.590 1.00 52.42 H new ATOM 0 HG23 THR A 89 5.832 8.283 -12.658 1.00 52.42 H new ATOM 1440 N ASP A 90 2.621 9.466 -9.120 1.00 53.14 N ATOM 1441 CA ASP A 90 1.305 9.563 -8.499 1.00 51.03 C ATOM 1442 C ASP A 90 0.213 9.117 -9.467 1.00 0.21 C ATOM 1443 O ASP A 90 -0.737 8.441 -9.075 1.00 73.52 O ATOM 1444 CB ASP A 90 1.040 10.997 -8.037 1.00 71.32 C ATOM 1445 CG ASP A 90 1.520 12.027 -9.041 1.00 20.42 C ATOM 1446 OD1 ASP A 90 2.747 12.242 -9.130 1.00 22.23 O ATOM 1447 OD2 ASP A 90 0.669 12.617 -9.738 1.00 72.41 O ATOM 0 H ASP A 90 3.165 10.329 -9.093 1.00 53.14 H new ATOM 0 HA ASP A 90 1.290 8.902 -7.633 1.00 51.03 H new ATOM 0 HB2 ASP A 90 -0.029 11.129 -7.868 1.00 71.32 H new ATOM 0 HB3 ASP A 90 1.537 11.166 -7.082 1.00 71.32 H new ATOM 1452 N GLN A 91 0.356 9.502 -10.731 1.00 2.41 N ATOM 1453 CA GLN A 91 -0.619 9.143 -11.753 1.00 52.55 C ATOM 1454 C GLN A 91 -0.568 7.649 -12.055 1.00 5.34 C ATOM 1455 O GLN A 91 -1.595 7.024 -12.317 1.00 4.20 O ATOM 1456 CB GLN A 91 -0.366 9.943 -13.033 1.00 22.31 C ATOM 1457 CG GLN A 91 -0.927 11.355 -12.989 1.00 72.34 C ATOM 1458 CD GLN A 91 -2.443 11.380 -12.980 1.00 40.13 C ATOM 1459 OE1 GLN A 91 -3.086 11.121 -13.998 1.00 42.11 O ATOM 1460 NE2 GLN A 91 -3.023 11.693 -11.828 1.00 12.14 N ATOM 0 H GLN A 91 1.137 10.062 -11.071 1.00 2.41 H new ATOM 0 HA GLN A 91 -1.611 9.384 -11.372 1.00 52.55 H new ATOM 0 HB2 GLN A 91 0.708 9.993 -13.214 1.00 22.31 H new ATOM 0 HB3 GLN A 91 -0.807 9.412 -13.877 1.00 22.31 H new ATOM 0 HG2 GLN A 91 -0.554 11.863 -12.100 1.00 72.34 H new ATOM 0 HG3 GLN A 91 -0.563 11.914 -13.851 1.00 72.34 H new ATOM 0 HE21 GLN A 91 -2.451 11.901 -11.009 1.00 12.14 H new ATOM 0 HE22 GLN A 91 -4.040 11.726 -11.762 1.00 12.14 H new ATOM 1469 N GLN A 92 0.635 7.084 -12.015 1.00 73.11 N ATOM 1470 CA GLN A 92 0.819 5.663 -12.285 1.00 64.00 C ATOM 1471 C GLN A 92 0.145 4.813 -11.213 1.00 51.12 C ATOM 1472 O GLN A 92 -0.482 3.799 -11.515 1.00 74.04 O ATOM 1473 CB GLN A 92 2.310 5.325 -12.357 1.00 54.53 C ATOM 1474 CG GLN A 92 2.894 5.446 -13.756 1.00 14.34 C ATOM 1475 CD GLN A 92 2.394 6.673 -14.493 1.00 2.34 C ATOM 1476 OE1 GLN A 92 3.249 7.683 -14.609 1.00 73.25 O flip ATOM 1477 NE2 GLN A 92 1.253 6.714 -14.952 1.00 12.01 N flip ATOM 0 H GLN A 92 1.495 7.588 -11.799 1.00 73.11 H new ATOM 0 HA GLN A 92 0.355 5.439 -13.246 1.00 64.00 H new ATOM 0 HB2 GLN A 92 2.857 5.987 -11.685 1.00 54.53 H new ATOM 0 HB3 GLN A 92 2.461 4.308 -11.996 1.00 54.53 H new ATOM 0 HG2 GLN A 92 3.981 5.485 -13.690 1.00 14.34 H new ATOM 0 HG3 GLN A 92 2.641 4.554 -14.330 1.00 14.34 H new ATOM 0 HE21 GLN A 92 0.629 5.915 -14.840 1.00 12.01 H new ATOM 0 HE22 GLN A 92 0.931 7.547 -15.445 1.00 12.01 H new ATOM 1486 N ASN A 93 0.279 5.234 -9.960 1.00 1.23 N ATOM 1487 CA ASN A 93 -0.317 4.511 -8.842 1.00 62.24 C ATOM 1488 C ASN A 93 -1.805 4.824 -8.723 1.00 52.32 C ATOM 1489 O ASN A 93 -2.624 3.931 -8.507 1.00 72.33 O ATOM 1490 CB ASN A 93 0.397 4.868 -7.537 1.00 42.33 C ATOM 1491 CG ASN A 93 1.701 4.113 -7.366 1.00 41.11 C ATOM 1492 OD1 ASN A 93 2.491 4.047 -8.432 1.00 72.12 O flip ATOM 1493 ND2 ASN A 93 1.995 3.596 -6.288 1.00 34.32 N flip ATOM 0 H ASN A 93 0.795 6.072 -9.693 1.00 1.23 H new ATOM 0 HA ASN A 93 -0.202 3.443 -9.030 1.00 62.24 H new ATOM 0 HB2 ASN A 93 0.595 5.940 -7.516 1.00 42.33 H new ATOM 0 HB3 ASN A 93 -0.260 4.649 -6.695 1.00 42.33 H new ATOM 0 HD21 ASN A 93 1.358 3.672 -5.495 1.00 34.32 H new ATOM 0 HD22 ASN A 93 2.876 3.092 -6.188 1.00 34.32 H new ATOM 1500 N LYS A 94 -2.149 6.100 -8.866 1.00 63.10 N ATOM 1501 CA LYS A 94 -3.538 6.533 -8.777 1.00 10.23 C ATOM 1502 C LYS A 94 -4.381 5.887 -9.871 1.00 70.04 C ATOM 1503 O LYS A 94 -5.490 5.418 -9.617 1.00 41.23 O ATOM 1504 CB LYS A 94 -3.626 8.057 -8.883 1.00 53.31 C ATOM 1505 CG LYS A 94 -5.036 8.598 -8.718 1.00 71.13 C ATOM 1506 CD LYS A 94 -5.030 10.009 -8.156 1.00 1.44 C ATOM 1507 CE LYS A 94 -6.163 10.844 -8.732 1.00 41.33 C ATOM 1508 NZ LYS A 94 -7.040 11.402 -7.666 1.00 23.35 N ATOM 0 H LYS A 94 -1.484 6.852 -9.044 1.00 63.10 H new ATOM 0 HA LYS A 94 -3.929 6.219 -7.809 1.00 10.23 H new ATOM 0 HB2 LYS A 94 -2.984 8.503 -8.124 1.00 53.31 H new ATOM 0 HB3 LYS A 94 -3.238 8.368 -9.853 1.00 53.31 H new ATOM 0 HG2 LYS A 94 -5.544 8.592 -9.682 1.00 71.13 H new ATOM 0 HG3 LYS A 94 -5.602 7.944 -8.055 1.00 71.13 H new ATOM 0 HD2 LYS A 94 -5.121 9.970 -7.071 1.00 1.44 H new ATOM 0 HD3 LYS A 94 -4.076 10.486 -8.379 1.00 1.44 H new ATOM 0 HE2 LYS A 94 -5.748 11.660 -9.324 1.00 41.33 H new ATOM 0 HE3 LYS A 94 -6.759 10.230 -9.408 1.00 41.33 H new ATOM 0 HZ1 LYS A 94 -7.799 11.964 -8.100 1.00 23.35 H new ATOM 0 HZ2 LYS A 94 -7.457 10.624 -7.116 1.00 23.35 H new ATOM 0 HZ3 LYS A 94 -6.477 12.008 -7.036 1.00 23.35 H new ATOM 1522 N GLU A 95 -3.847 5.865 -11.088 1.00 65.14 N ATOM 1523 CA GLU A 95 -4.551 5.275 -12.221 1.00 1.03 C ATOM 1524 C GLU A 95 -4.606 3.755 -12.095 1.00 43.25 C ATOM 1525 O GLU A 95 -5.595 3.126 -12.471 1.00 33.25 O ATOM 1526 CB GLU A 95 -3.869 5.665 -13.534 1.00 3.24 C ATOM 1527 CG GLU A 95 -4.026 7.134 -13.888 1.00 54.23 C ATOM 1528 CD GLU A 95 -3.263 7.517 -15.141 1.00 45.20 C ATOM 1529 OE1 GLU A 95 -2.123 7.036 -15.312 1.00 51.02 O ATOM 1530 OE2 GLU A 95 -3.805 8.298 -15.950 1.00 52.35 O ATOM 0 H GLU A 95 -2.930 6.249 -11.315 1.00 65.14 H new ATOM 0 HA GLU A 95 -5.571 5.660 -12.222 1.00 1.03 H new ATOM 0 HB2 GLU A 95 -2.807 5.428 -13.467 1.00 3.24 H new ATOM 0 HB3 GLU A 95 -4.281 5.059 -14.341 1.00 3.24 H new ATOM 0 HG2 GLU A 95 -5.083 7.359 -14.028 1.00 54.23 H new ATOM 0 HG3 GLU A 95 -3.678 7.744 -13.054 1.00 54.23 H new ATOM 1537 N TYR A 96 -3.536 3.172 -11.566 1.00 42.34 N ATOM 1538 CA TYR A 96 -3.460 1.726 -11.394 1.00 42.41 C ATOM 1539 C TYR A 96 -4.619 1.217 -10.543 1.00 53.51 C ATOM 1540 O TYR A 96 -5.290 0.249 -10.903 1.00 41.21 O ATOM 1541 CB TYR A 96 -2.129 1.338 -10.747 1.00 51.05 C ATOM 1542 CG TYR A 96 -1.971 -0.151 -10.535 1.00 43.43 C ATOM 1543 CD1 TYR A 96 -1.478 -0.968 -11.545 1.00 41.21 C ATOM 1544 CD2 TYR A 96 -2.313 -0.740 -9.324 1.00 41.32 C ATOM 1545 CE1 TYR A 96 -1.332 -2.328 -11.356 1.00 34.43 C ATOM 1546 CE2 TYR A 96 -2.169 -2.099 -9.125 1.00 73.34 C ATOM 1547 CZ TYR A 96 -1.679 -2.889 -10.144 1.00 71.32 C ATOM 1548 OH TYR A 96 -1.534 -4.244 -9.951 1.00 72.12 O ATOM 0 H TYR A 96 -2.709 3.678 -11.249 1.00 42.34 H new ATOM 0 HA TYR A 96 -3.526 1.264 -12.379 1.00 42.41 H new ATOM 0 HB2 TYR A 96 -1.312 1.696 -11.373 1.00 51.05 H new ATOM 0 HB3 TYR A 96 -2.040 1.845 -9.786 1.00 51.05 H new ATOM 0 HD1 TYR A 96 -1.204 -0.532 -12.494 1.00 41.21 H new ATOM 0 HD2 TYR A 96 -2.698 -0.124 -8.525 1.00 41.32 H new ATOM 0 HE1 TYR A 96 -0.948 -2.949 -12.152 1.00 34.43 H new ATOM 0 HE2 TYR A 96 -2.438 -2.541 -8.177 1.00 73.34 H new ATOM 0 HH TYR A 96 -1.588 -4.446 -8.994 1.00 72.12 H new ATOM 1558 N CYS A 97 -4.849 1.877 -9.414 1.00 14.45 N ATOM 1559 CA CYS A 97 -5.928 1.493 -8.510 1.00 3.04 C ATOM 1560 C CYS A 97 -7.289 1.761 -9.143 1.00 33.43 C ATOM 1561 O CYS A 97 -8.243 1.012 -8.929 1.00 25.24 O ATOM 1562 CB CYS A 97 -5.808 2.253 -7.188 1.00 32.23 C ATOM 1563 SG CYS A 97 -4.250 1.974 -6.314 1.00 60.31 S ATOM 0 H CYS A 97 -4.303 2.680 -9.102 1.00 14.45 H new ATOM 0 HA CYS A 97 -5.843 0.424 -8.315 1.00 3.04 H new ATOM 0 HB2 CYS A 97 -5.916 3.320 -7.384 1.00 32.23 H new ATOM 0 HB3 CYS A 97 -6.634 1.963 -6.538 1.00 32.23 H new ATOM 0 HG CYS A 97 -3.295 2.622 -6.912 1.00 60.31 H new ATOM 1569 N SER A 98 -7.373 2.834 -9.922 1.00 11.21 N ATOM 1570 CA SER A 98 -8.620 3.204 -10.582 1.00 4.20 C ATOM 1571 C SER A 98 -8.872 2.321 -11.800 1.00 35.42 C ATOM 1572 O SER A 98 -9.971 2.308 -12.355 1.00 51.04 O ATOM 1573 CB SER A 98 -8.581 4.674 -11.004 1.00 12.45 C ATOM 1574 OG SER A 98 -9.880 5.150 -11.313 1.00 44.15 O ATOM 0 H SER A 98 -6.593 3.463 -10.112 1.00 11.21 H new ATOM 0 HA SER A 98 -9.435 3.058 -9.873 1.00 4.20 H new ATOM 0 HB2 SER A 98 -8.151 5.275 -10.202 1.00 12.45 H new ATOM 0 HB3 SER A 98 -7.932 4.789 -11.872 1.00 12.45 H new ATOM 0 HG SER A 98 -10.441 4.402 -11.606 1.00 44.15 H new ATOM 1580 N LYS A 99 -7.847 1.582 -12.210 1.00 30.00 N ATOM 1581 CA LYS A 99 -7.956 0.693 -13.361 1.00 5.41 C ATOM 1582 C LYS A 99 -9.080 -0.318 -13.163 1.00 64.50 C ATOM 1583 O LYS A 99 -9.610 -0.866 -14.129 1.00 15.13 O ATOM 1584 CB LYS A 99 -6.632 -0.038 -13.593 1.00 25.20 C ATOM 1585 CG LYS A 99 -6.651 -0.965 -14.796 1.00 55.02 C ATOM 1586 CD LYS A 99 -5.341 -1.721 -14.940 1.00 11.24 C ATOM 1587 CE LYS A 99 -5.081 -2.617 -13.739 1.00 24.41 C ATOM 1588 NZ LYS A 99 -4.664 -3.987 -14.149 1.00 51.13 N ATOM 0 H LYS A 99 -6.931 1.581 -11.762 1.00 30.00 H new ATOM 0 HA LYS A 99 -8.187 1.299 -14.237 1.00 5.41 H new ATOM 0 HB2 LYS A 99 -5.839 0.698 -13.725 1.00 25.20 H new ATOM 0 HB3 LYS A 99 -6.385 -0.617 -12.703 1.00 25.20 H new ATOM 0 HG2 LYS A 99 -7.472 -1.675 -14.696 1.00 55.02 H new ATOM 0 HG3 LYS A 99 -6.839 -0.385 -15.700 1.00 55.02 H new ATOM 0 HD2 LYS A 99 -5.366 -2.325 -15.847 1.00 11.24 H new ATOM 0 HD3 LYS A 99 -4.521 -1.012 -15.051 1.00 11.24 H new ATOM 0 HE2 LYS A 99 -4.305 -2.173 -13.116 1.00 24.41 H new ATOM 0 HE3 LYS A 99 -5.983 -2.679 -13.130 1.00 24.41 H new ATOM 0 HZ1 LYS A 99 -4.496 -4.567 -13.302 1.00 51.13 H new ATOM 0 HZ2 LYS A 99 -5.415 -4.421 -14.723 1.00 51.13 H new ATOM 0 HZ3 LYS A 99 -3.789 -3.931 -14.709 1.00 51.13 H new ATOM 1602 N GLU A 100 -9.438 -0.560 -11.906 1.00 23.32 N ATOM 1603 CA GLU A 100 -10.500 -1.506 -11.583 1.00 64.12 C ATOM 1604 C GLU A 100 -11.867 -0.933 -11.944 1.00 0.44 C ATOM 1605 O GLU A 100 -12.840 -1.669 -12.100 1.00 64.54 O ATOM 1606 CB GLU A 100 -10.460 -1.863 -10.096 1.00 31.41 C ATOM 1607 CG GLU A 100 -9.192 -2.589 -9.678 1.00 12.35 C ATOM 1608 CD GLU A 100 -8.862 -2.387 -8.211 1.00 64.34 C ATOM 1609 OE1 GLU A 100 -9.441 -3.103 -7.368 1.00 65.52 O ATOM 1610 OE2 GLU A 100 -8.023 -1.513 -7.908 1.00 11.13 O ATOM 0 H GLU A 100 -9.009 -0.114 -11.095 1.00 23.32 H new ATOM 0 HA GLU A 100 -10.338 -2.410 -12.170 1.00 64.12 H new ATOM 0 HB2 GLU A 100 -10.556 -0.950 -9.509 1.00 31.41 H new ATOM 0 HB3 GLU A 100 -11.321 -2.487 -9.858 1.00 31.41 H new ATOM 0 HG2 GLU A 100 -9.305 -3.655 -9.878 1.00 12.35 H new ATOM 0 HG3 GLU A 100 -8.359 -2.237 -10.286 1.00 12.35 H new ATOM 1617 N GLY A 101 -11.933 0.389 -12.073 1.00 3.12 N ATOM 1618 CA GLY A 101 -13.184 1.040 -12.413 1.00 34.02 C ATOM 1619 C GLY A 101 -14.049 1.306 -11.196 1.00 62.34 C ATOM 1620 O GLY A 101 -15.116 1.908 -11.305 1.00 30.12 O ATOM 0 H GLY A 101 -11.142 1.020 -11.948 1.00 3.12 H new ATOM 0 HA2 GLY A 101 -12.974 1.983 -12.919 1.00 34.02 H new ATOM 0 HA3 GLY A 101 -13.735 0.416 -13.117 1.00 34.02 H new ATOM 1624 N ASN A 102 -13.588 0.854 -10.035 1.00 22.24 N ATOM 1625 CA ASN A 102 -14.328 1.044 -8.792 1.00 41.34 C ATOM 1626 C ASN A 102 -13.413 1.566 -7.689 1.00 21.24 C ATOM 1627 O ASN A 102 -12.392 0.953 -7.372 1.00 13.32 O ATOM 1628 CB ASN A 102 -14.976 -0.270 -8.354 1.00 74.31 C ATOM 1629 CG ASN A 102 -16.406 -0.082 -7.885 1.00 52.52 C ATOM 1630 OD1 ASN A 102 -16.863 1.045 -7.688 1.00 21.43 O ATOM 1631 ND2 ASN A 102 -17.120 -1.187 -7.704 1.00 52.54 N ATOM 0 H ASN A 102 -12.706 0.354 -9.928 1.00 22.24 H new ATOM 0 HA ASN A 102 -15.108 1.783 -8.972 1.00 41.34 H new ATOM 0 HB2 ASN A 102 -14.959 -0.975 -9.185 1.00 74.31 H new ATOM 0 HB3 ASN A 102 -14.388 -0.711 -7.549 1.00 74.31 H new ATOM 0 HD21 ASN A 102 -18.088 -1.123 -7.389 1.00 52.54 H new ATOM 0 HD22 ASN A 102 -16.700 -2.100 -7.880 1.00 52.54 H new ATOM 1638 N LEU A 103 -13.785 2.700 -7.106 1.00 33.02 N ATOM 1639 CA LEU A 103 -12.999 3.305 -6.036 1.00 71.41 C ATOM 1640 C LEU A 103 -13.566 2.937 -4.669 1.00 15.23 C ATOM 1641 O LEU A 103 -14.766 3.073 -4.426 1.00 14.14 O ATOM 1642 CB LEU A 103 -12.968 4.826 -6.196 1.00 72.42 C ATOM 1643 CG LEU A 103 -11.591 5.449 -6.425 1.00 63.41 C ATOM 1644 CD1 LEU A 103 -10.754 5.373 -5.158 1.00 5.43 C ATOM 1645 CD2 LEU A 103 -10.878 4.758 -7.579 1.00 12.21 C ATOM 0 H LEU A 103 -14.626 3.220 -7.356 1.00 33.02 H new ATOM 0 HA LEU A 103 -11.982 2.919 -6.103 1.00 71.41 H new ATOM 0 HB2 LEU A 103 -13.611 5.096 -7.034 1.00 72.42 H new ATOM 0 HB3 LEU A 103 -13.403 5.274 -5.303 1.00 72.42 H new ATOM 0 HG LEU A 103 -11.727 6.499 -6.684 1.00 63.41 H new ATOM 0 HD11 LEU A 103 -9.777 5.821 -5.340 1.00 5.43 H new ATOM 0 HD12 LEU A 103 -11.258 5.913 -4.356 1.00 5.43 H new ATOM 0 HD13 LEU A 103 -10.626 4.330 -4.868 1.00 5.43 H new ATOM 0 HD21 LEU A 103 -9.899 5.214 -7.728 1.00 12.21 H new ATOM 0 HD22 LEU A 103 -10.754 3.700 -7.349 1.00 12.21 H new ATOM 0 HD23 LEU A 103 -11.470 4.864 -8.488 1.00 12.21 H new ATOM 1657 N LEU A 104 -12.697 2.473 -3.778 1.00 44.43 N ATOM 1658 CA LEU A 104 -13.110 2.088 -2.433 1.00 52.34 C ATOM 1659 C LEU A 104 -12.800 3.195 -1.430 1.00 64.24 C ATOM 1660 O LEU A 104 -13.504 3.359 -0.435 1.00 23.34 O ATOM 1661 CB LEU A 104 -12.411 0.794 -2.015 1.00 32.24 C ATOM 1662 CG LEU A 104 -13.216 -0.142 -1.112 1.00 0.34 C ATOM 1663 CD1 LEU A 104 -13.523 0.532 0.217 1.00 54.34 C ATOM 1664 CD2 LEU A 104 -14.501 -0.575 -1.802 1.00 50.42 C ATOM 0 H LEU A 104 -11.701 2.354 -3.963 1.00 44.43 H new ATOM 0 HA LEU A 104 -14.188 1.924 -2.443 1.00 52.34 H new ATOM 0 HB2 LEU A 104 -12.133 0.247 -2.916 1.00 32.24 H new ATOM 0 HB3 LEU A 104 -11.485 1.054 -1.502 1.00 32.24 H new ATOM 0 HG LEU A 104 -12.616 -1.031 -0.915 1.00 0.34 H new ATOM 0 HD11 LEU A 104 -14.096 -0.149 0.846 1.00 54.34 H new ATOM 0 HD12 LEU A 104 -12.590 0.791 0.718 1.00 54.34 H new ATOM 0 HD13 LEU A 104 -14.103 1.438 0.040 1.00 54.34 H new ATOM 0 HD21 LEU A 104 -15.061 -1.240 -1.145 1.00 50.42 H new ATOM 0 HD22 LEU A 104 -15.106 0.303 -2.029 1.00 50.42 H new ATOM 0 HD23 LEU A 104 -14.259 -1.098 -2.727 1.00 50.42 H new ATOM 1676 N MET A 105 -11.742 3.953 -1.702 1.00 31.41 N ATOM 1677 CA MET A 105 -11.341 5.046 -0.825 1.00 4.24 C ATOM 1678 C MET A 105 -10.453 6.041 -1.567 1.00 35.34 C ATOM 1679 O MET A 105 -9.557 5.649 -2.312 1.00 64.05 O ATOM 1680 CB MET A 105 -10.603 4.501 0.400 1.00 42.51 C ATOM 1681 CG MET A 105 -9.729 5.535 1.093 1.00 73.15 C ATOM 1682 SD MET A 105 -9.709 5.338 2.885 1.00 41.23 S ATOM 1683 CE MET A 105 -8.183 4.428 3.108 1.00 23.21 C ATOM 0 H MET A 105 -11.148 3.830 -2.522 1.00 31.41 H new ATOM 0 HA MET A 105 -12.242 5.564 -0.497 1.00 4.24 H new ATOM 0 HB2 MET A 105 -11.333 4.118 1.113 1.00 42.51 H new ATOM 0 HB3 MET A 105 -9.982 3.658 0.095 1.00 42.51 H new ATOM 0 HG2 MET A 105 -8.711 5.459 0.712 1.00 73.15 H new ATOM 0 HG3 MET A 105 -10.088 6.534 0.845 1.00 73.15 H new ATOM 0 HE1 MET A 105 -7.835 4.547 4.134 1.00 23.21 H new ATOM 0 HE2 MET A 105 -8.356 3.371 2.904 1.00 23.21 H new ATOM 0 HE3 MET A 105 -7.428 4.811 2.422 1.00 23.21 H new ATOM 1693 N GLU A 106 -10.711 7.328 -1.357 1.00 22.04 N ATOM 1694 CA GLU A 106 -9.935 8.377 -2.007 1.00 52.35 C ATOM 1695 C GLU A 106 -9.488 9.430 -0.997 1.00 34.11 C ATOM 1696 O GLU A 106 -10.289 10.246 -0.539 1.00 75.14 O ATOM 1697 CB GLU A 106 -10.757 9.036 -3.117 1.00 14.30 C ATOM 1698 CG GLU A 106 -9.913 9.755 -4.156 1.00 24.24 C ATOM 1699 CD GLU A 106 -10.696 10.804 -4.920 1.00 41.23 C ATOM 1700 OE1 GLU A 106 -11.263 11.709 -4.273 1.00 34.24 O ATOM 1701 OE2 GLU A 106 -10.742 10.721 -6.165 1.00 61.13 O ATOM 0 H GLU A 106 -11.450 7.669 -0.743 1.00 22.04 H new ATOM 0 HA GLU A 106 -9.048 7.919 -2.444 1.00 52.35 H new ATOM 0 HB2 GLU A 106 -11.358 8.274 -3.614 1.00 14.30 H new ATOM 0 HB3 GLU A 106 -11.451 9.748 -2.670 1.00 14.30 H new ATOM 0 HG2 GLU A 106 -9.063 10.228 -3.664 1.00 24.24 H new ATOM 0 HG3 GLU A 106 -9.509 9.026 -4.858 1.00 24.24 H new ATOM 1708 N CYS A 107 -8.206 9.404 -0.653 1.00 44.33 N ATOM 1709 CA CYS A 107 -7.651 10.355 0.304 1.00 34.12 C ATOM 1710 C CYS A 107 -6.175 10.614 0.021 1.00 73.01 C ATOM 1711 O CYS A 107 -5.589 10.009 -0.876 1.00 53.41 O ATOM 1712 CB CYS A 107 -7.825 9.833 1.731 1.00 14.33 C ATOM 1713 SG CYS A 107 -9.461 10.144 2.436 1.00 33.42 S ATOM 0 H CYS A 107 -7.531 8.735 -1.022 1.00 44.33 H new ATOM 0 HA CYS A 107 -8.192 11.295 0.200 1.00 34.12 H new ATOM 0 HB2 CYS A 107 -7.635 8.760 1.740 1.00 14.33 H new ATOM 0 HB3 CYS A 107 -7.072 10.295 2.370 1.00 14.33 H new ATOM 0 HG CYS A 107 -10.330 10.268 1.477 1.00 33.42 H new ATOM 1719 N GLY A 108 -5.580 11.519 0.792 1.00 63.10 N ATOM 1720 CA GLY A 108 -4.177 11.844 0.607 1.00 35.30 C ATOM 1721 C GLY A 108 -3.922 12.599 -0.682 1.00 55.12 C ATOM 1722 O GLY A 108 -4.845 12.843 -1.459 1.00 41.32 O ATOM 0 H GLY A 108 -6.044 12.033 1.541 1.00 63.10 H new ATOM 0 HA2 GLY A 108 -3.832 12.443 1.450 1.00 35.30 H new ATOM 0 HA3 GLY A 108 -3.591 10.925 0.608 1.00 35.30 H new