USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=16 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 Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-0.77) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 22:sc= 0.199 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.658 X(o=-0.66,f=-0.34) 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+ -164:sc= 1.05 (180deg=0.824) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -24:sc= -1.24 USER MOD Single : A 57 HIS : no HE2:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 59 GLN : amide:sc= -4.64! K(o=-4.6!,f=-3.7) USER MOD Single : A 63 ASN : amide:sc= -1.38 K(o=-1.4,f=-4.3!) 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= -2.09 K(o=-2.1,f=-3.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 71 ASN : amide:sc=-0.00566 X(o=-0.0057,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 146:sc= -0.519 (180deg=-1.97!) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) 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 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -2.13 X(o=-2.1,f=-1.7!) 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 73:sc= 0.146 USER MOD Single : A 98 SER OG : rot -15:sc= 0.252 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc=-0.00293 X(o=-0.0029,f=-0.097) USER MOD Single : A 105 MET CE :methyl 164:sc= -1.31 (180deg=-2.42) USER MOD Single : A 107 CYS SG : rot 32:sc= 0.31 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.541 -4.000 0.552 1.00 1.43 N ATOM 148 CA GLN A 12 15.555 -2.937 1.551 1.00 41.14 C ATOM 149 C GLN A 12 14.186 -2.273 1.658 1.00 22.35 C ATOM 150 O GLN A 12 13.350 -2.370 0.760 1.00 33.43 O ATOM 151 CB GLN A 12 16.615 -1.892 1.199 1.00 43.21 C ATOM 152 CG GLN A 12 17.964 -2.150 1.851 1.00 61.33 C ATOM 153 CD GLN A 12 19.046 -1.218 1.342 1.00 21.14 C ATOM 154 OE1 GLN A 12 19.193 -0.096 1.827 1.00 12.32 O ATOM 155 NE2 GLN A 12 19.812 -1.679 0.360 1.00 33.12 N ATOM 0 HA GLN A 12 15.799 -3.382 2.515 1.00 41.14 H new ATOM 0 HB2 GLN A 12 16.743 -1.867 0.117 1.00 43.21 H new ATOM 0 HB3 GLN A 12 16.257 -0.908 1.501 1.00 43.21 H new ATOM 0 HG2 GLN A 12 17.869 -2.035 2.931 1.00 61.33 H new ATOM 0 HG3 GLN A 12 18.262 -3.182 1.665 1.00 61.33 H new ATOM 0 HE21 GLN A 12 19.655 -2.616 -0.012 1.00 33.12 H new ATOM 0 HE22 GLN A 12 20.557 -1.097 -0.022 1.00 33.12 H new ATOM 164 N PRO A 13 13.950 -1.582 2.784 1.00 71.44 N ATOM 165 CA PRO A 13 12.683 -0.889 3.036 1.00 42.05 C ATOM 166 C PRO A 13 12.499 0.327 2.134 1.00 74.21 C ATOM 167 O PRO A 13 13.464 1.012 1.793 1.00 34.21 O ATOM 168 CB PRO A 13 12.801 -0.456 4.499 1.00 34.42 C ATOM 169 CG PRO A 13 14.266 -0.362 4.750 1.00 61.11 C ATOM 170 CD PRO A 13 14.901 -1.425 3.896 1.00 5.43 C ATOM 0 HA PRO A 13 11.822 -1.526 2.834 1.00 42.05 H new ATOM 0 HB2 PRO A 13 12.308 0.501 4.669 1.00 34.42 H new ATOM 0 HB3 PRO A 13 12.331 -1.180 5.165 1.00 34.42 H new ATOM 0 HG2 PRO A 13 14.644 0.626 4.489 1.00 61.11 H new ATOM 0 HG3 PRO A 13 14.492 -0.521 5.804 1.00 61.11 H new ATOM 0 HD2 PRO A 13 15.886 -1.121 3.542 1.00 5.43 H new ATOM 0 HD3 PRO A 13 15.033 -2.357 4.446 1.00 5.43 H new ATOM 178 N HIS A 14 11.253 0.590 1.751 1.00 43.23 N ATOM 179 CA HIS A 14 10.942 1.725 0.889 1.00 44.11 C ATOM 180 C HIS A 14 9.734 2.493 1.417 1.00 44.24 C ATOM 181 O HIS A 14 9.135 2.114 2.423 1.00 5.13 O ATOM 182 CB HIS A 14 10.675 1.250 -0.539 1.00 71.44 C ATOM 183 CG HIS A 14 11.885 0.687 -1.220 1.00 13.11 C ATOM 184 ND1 HIS A 14 12.211 -0.652 -1.190 1.00 34.43 N ATOM 185 CD2 HIS A 14 12.849 1.291 -1.953 1.00 71.15 C ATOM 186 CE1 HIS A 14 13.324 -0.848 -1.874 1.00 12.03 C ATOM 187 NE2 HIS A 14 13.731 0.315 -2.348 1.00 3.51 N ATOM 0 H HIS A 14 10.443 0.033 2.024 1.00 43.23 H new ATOM 0 HA HIS A 14 11.803 2.394 0.886 1.00 44.11 H new ATOM 0 HB2 HIS A 14 9.893 0.491 -0.520 1.00 71.44 H new ATOM 0 HB3 HIS A 14 10.294 2.086 -1.126 1.00 71.44 H new ATOM 0 HD2 HIS A 14 12.913 2.344 -2.184 1.00 71.15 H new ATOM 0 HE1 HIS A 14 13.817 -1.798 -2.020 1.00 12.03 H new ATOM 0 HE2 HIS A 14 14.565 0.465 -2.916 1.00 3.51 H new ATOM 195 N LYS A 15 9.382 3.575 0.731 1.00 52.30 N ATOM 196 CA LYS A 15 8.245 4.397 1.129 1.00 3.32 C ATOM 197 C LYS A 15 7.038 4.126 0.237 1.00 21.43 C ATOM 198 O LYS A 15 6.098 4.919 0.190 1.00 2.32 O ATOM 199 CB LYS A 15 8.616 5.881 1.066 1.00 34.12 C ATOM 200 CG LYS A 15 9.279 6.287 -0.239 1.00 13.35 C ATOM 201 CD LYS A 15 10.722 6.709 -0.023 1.00 3.45 C ATOM 202 CE LYS A 15 11.420 7.003 -1.342 1.00 4.35 C ATOM 203 NZ LYS A 15 12.285 5.871 -1.776 1.00 12.21 N ATOM 0 H LYS A 15 9.868 3.903 -0.104 1.00 52.30 H new ATOM 0 HA LYS A 15 7.982 4.137 2.154 1.00 3.32 H new ATOM 0 HB2 LYS A 15 7.715 6.478 1.208 1.00 34.12 H new ATOM 0 HB3 LYS A 15 9.287 6.115 1.893 1.00 34.12 H new ATOM 0 HG2 LYS A 15 9.244 5.454 -0.941 1.00 13.35 H new ATOM 0 HG3 LYS A 15 8.723 7.108 -0.691 1.00 13.35 H new ATOM 0 HD2 LYS A 15 10.752 7.595 0.611 1.00 3.45 H new ATOM 0 HD3 LYS A 15 11.258 5.920 0.505 1.00 3.45 H new ATOM 0 HE2 LYS A 15 10.674 7.205 -2.110 1.00 4.35 H new ATOM 0 HE3 LYS A 15 12.025 7.904 -1.240 1.00 4.35 H new ATOM 0 HZ1 LYS A 15 12.743 6.110 -2.679 1.00 12.21 H new ATOM 0 HZ2 LYS A 15 13.013 5.694 -1.055 1.00 12.21 H new ATOM 0 HZ3 LYS A 15 11.704 5.017 -1.898 1.00 12.21 H new ATOM 217 N ARG A 16 7.070 2.999 -0.467 1.00 42.12 N ATOM 218 CA ARG A 16 5.978 2.623 -1.357 1.00 44.22 C ATOM 219 C ARG A 16 5.679 1.131 -1.251 1.00 24.44 C ATOM 220 O ARG A 16 6.570 0.296 -1.410 1.00 5.42 O ATOM 221 CB ARG A 16 6.324 2.983 -2.803 1.00 71.03 C ATOM 222 CG ARG A 16 6.567 4.468 -3.020 1.00 72.42 C ATOM 223 CD ARG A 16 7.957 4.729 -3.579 1.00 73.22 C ATOM 224 NE ARG A 16 7.956 5.804 -4.568 1.00 72.51 N ATOM 225 CZ ARG A 16 9.022 6.145 -5.283 1.00 0.31 C ATOM 226 NH1 ARG A 16 10.169 5.500 -5.120 1.00 35.34 N ATOM 227 NH2 ARG A 16 8.942 7.135 -6.164 1.00 25.43 N ATOM 0 H ARG A 16 7.840 2.331 -0.438 1.00 42.12 H new ATOM 0 HA ARG A 16 5.089 3.176 -1.054 1.00 44.22 H new ATOM 0 HB2 ARG A 16 7.214 2.430 -3.103 1.00 71.03 H new ATOM 0 HB3 ARG A 16 5.512 2.657 -3.454 1.00 71.03 H new ATOM 0 HG2 ARG A 16 5.818 4.864 -3.705 1.00 72.42 H new ATOM 0 HG3 ARG A 16 6.448 4.999 -2.076 1.00 72.42 H new ATOM 0 HD2 ARG A 16 8.633 4.987 -2.764 1.00 73.22 H new ATOM 0 HD3 ARG A 16 8.341 3.817 -4.035 1.00 73.22 H new ATOM 0 HE ARG A 16 7.089 6.321 -4.718 1.00 72.51 H new ATOM 0 HH11 ARG A 16 10.235 4.739 -4.444 1.00 35.34 H new ATOM 0 HH12 ARG A 16 10.986 5.765 -5.671 1.00 35.34 H new ATOM 0 HH21 ARG A 16 8.062 7.634 -6.292 1.00 25.43 H new ATOM 0 HH22 ARG A 16 9.761 7.397 -6.713 1.00 25.43 H new ATOM 241 N TRP A 17 4.421 0.803 -0.980 1.00 23.31 N ATOM 242 CA TRP A 17 4.005 -0.589 -0.851 1.00 63.34 C ATOM 243 C TRP A 17 2.543 -0.759 -1.247 1.00 73.13 C ATOM 244 O TRP A 17 1.688 0.037 -0.859 1.00 51.43 O ATOM 245 CB TRP A 17 4.218 -1.076 0.583 1.00 61.42 C ATOM 246 CG TRP A 17 5.662 -1.264 0.938 1.00 0.13 C ATOM 247 CD1 TRP A 17 6.472 -0.368 1.576 1.00 31.45 C ATOM 248 CD2 TRP A 17 6.467 -2.418 0.674 1.00 73.22 C ATOM 249 NE1 TRP A 17 7.732 -0.897 1.725 1.00 52.44 N ATOM 250 CE2 TRP A 17 7.754 -2.153 1.180 1.00 23.20 C ATOM 251 CE3 TRP A 17 6.225 -3.650 0.061 1.00 74.33 C ATOM 252 CZ2 TRP A 17 8.794 -3.075 1.090 1.00 74.34 C ATOM 253 CZ3 TRP A 17 7.257 -4.564 -0.029 1.00 22.24 C ATOM 254 CH2 TRP A 17 8.528 -4.274 0.484 1.00 5.52 C ATOM 0 H TRP A 17 3.671 1.482 -0.845 1.00 23.31 H new ATOM 0 HA TRP A 17 4.617 -1.189 -1.525 1.00 63.34 H new ATOM 0 HB2 TRP A 17 3.772 -0.359 1.273 1.00 61.42 H new ATOM 0 HB3 TRP A 17 3.691 -2.020 0.720 1.00 61.42 H new ATOM 0 HD1 TRP A 17 6.167 0.612 1.914 1.00 31.45 H new ATOM 0 HE1 TRP A 17 8.522 -0.430 2.169 1.00 52.44 H new ATOM 0 HE3 TRP A 17 5.248 -3.884 -0.336 1.00 74.33 H new ATOM 0 HZ2 TRP A 17 9.775 -2.852 1.484 1.00 74.34 H new ATOM 0 HZ3 TRP A 17 7.081 -5.518 -0.503 1.00 22.24 H new ATOM 0 HH2 TRP A 17 9.313 -5.010 0.400 1.00 5.52 H new ATOM 265 N VAL A 18 2.261 -1.802 -2.022 1.00 12.02 N ATOM 266 CA VAL A 18 0.900 -2.077 -2.469 1.00 5.40 C ATOM 267 C VAL A 18 0.322 -3.292 -1.753 1.00 54.04 C ATOM 268 O VAL A 18 1.057 -4.104 -1.192 1.00 2.13 O ATOM 269 CB VAL A 18 0.847 -2.316 -3.990 1.00 21.25 C ATOM 270 CG1 VAL A 18 1.339 -1.089 -4.741 1.00 41.22 C ATOM 271 CG2 VAL A 18 1.664 -3.544 -4.364 1.00 53.20 C ATOM 0 H VAL A 18 2.957 -2.470 -2.353 1.00 12.02 H new ATOM 0 HA VAL A 18 0.302 -1.198 -2.226 1.00 5.40 H new ATOM 0 HB VAL A 18 -0.189 -2.496 -4.277 1.00 21.25 H new ATOM 0 HG11 VAL A 18 1.294 -1.277 -5.814 1.00 41.22 H new ATOM 0 HG12 VAL A 18 0.708 -0.235 -4.495 1.00 41.22 H new ATOM 0 HG13 VAL A 18 2.368 -0.874 -4.453 1.00 41.22 H new ATOM 0 HG21 VAL A 18 1.616 -3.699 -5.442 1.00 53.20 H new ATOM 0 HG22 VAL A 18 2.702 -3.396 -4.065 1.00 53.20 H new ATOM 0 HG23 VAL A 18 1.261 -4.419 -3.854 1.00 53.20 H new ATOM 281 N PHE A 19 -1.002 -3.412 -1.778 1.00 43.41 N ATOM 282 CA PHE A 19 -1.681 -4.528 -1.131 1.00 64.31 C ATOM 283 C PHE A 19 -2.818 -5.052 -2.003 1.00 13.22 C ATOM 284 O PHE A 19 -3.487 -4.286 -2.698 1.00 64.24 O ATOM 285 CB PHE A 19 -2.224 -4.101 0.234 1.00 40.32 C ATOM 286 CG PHE A 19 -3.150 -2.920 0.167 1.00 34.43 C ATOM 287 CD1 PHE A 19 -2.648 -1.634 0.053 1.00 31.22 C ATOM 288 CD2 PHE A 19 -4.524 -3.097 0.219 1.00 23.13 C ATOM 289 CE1 PHE A 19 -3.498 -0.546 -0.009 1.00 1.23 C ATOM 290 CE2 PHE A 19 -5.378 -2.013 0.157 1.00 13.34 C ATOM 291 CZ PHE A 19 -4.865 -0.735 0.045 1.00 62.45 C ATOM 0 H PHE A 19 -1.625 -2.750 -2.240 1.00 43.41 H new ATOM 0 HA PHE A 19 -0.956 -5.330 -0.990 1.00 64.31 H new ATOM 0 HB2 PHE A 19 -2.751 -4.941 0.686 1.00 40.32 H new ATOM 0 HB3 PHE A 19 -1.387 -3.860 0.890 1.00 40.32 H new ATOM 0 HD1 PHE A 19 -1.580 -1.480 0.012 1.00 31.22 H new ATOM 0 HD2 PHE A 19 -4.931 -4.093 0.309 1.00 23.13 H new ATOM 0 HE1 PHE A 19 -3.094 0.451 -0.100 1.00 1.23 H new ATOM 0 HE2 PHE A 19 -6.447 -2.164 0.196 1.00 13.34 H new ATOM 0 HZ PHE A 19 -5.531 0.114 -0.000 1.00 62.45 H new ATOM 301 N THR A 20 -3.033 -6.363 -1.961 1.00 31.14 N ATOM 302 CA THR A 20 -4.088 -6.991 -2.747 1.00 3.43 C ATOM 303 C THR A 20 -4.638 -8.225 -2.042 1.00 70.33 C ATOM 304 O THR A 20 -3.882 -9.106 -1.630 1.00 71.44 O ATOM 305 CB THR A 20 -3.582 -7.394 -4.145 1.00 10.22 C ATOM 306 OG1 THR A 20 -2.536 -8.365 -4.026 1.00 53.22 O ATOM 307 CG2 THR A 20 -3.070 -6.180 -4.906 1.00 33.21 C ATOM 0 H THR A 20 -2.490 -7.011 -1.390 1.00 31.14 H new ATOM 0 HA THR A 20 -4.884 -6.254 -2.855 1.00 3.43 H new ATOM 0 HB THR A 20 -4.416 -7.825 -4.699 1.00 10.22 H new ATOM 0 HG1 THR A 20 -2.603 -8.813 -3.157 1.00 53.22 H new ATOM 0 HG21 THR A 20 -2.718 -6.489 -5.890 1.00 33.21 H new ATOM 0 HG22 THR A 20 -3.876 -5.456 -5.020 1.00 33.21 H new ATOM 0 HG23 THR A 20 -2.248 -5.724 -4.354 1.00 33.21 H new ATOM 315 N LEU A 21 -5.958 -8.284 -1.907 1.00 72.31 N ATOM 316 CA LEU A 21 -6.611 -9.413 -1.252 1.00 43.04 C ATOM 317 C LEU A 21 -7.859 -9.839 -2.018 1.00 14.02 C ATOM 318 O LEU A 21 -8.704 -9.011 -2.356 1.00 72.43 O ATOM 319 CB LEU A 21 -6.980 -9.049 0.187 1.00 70.23 C ATOM 320 CG LEU A 21 -7.609 -10.166 1.021 1.00 4.11 C ATOM 321 CD1 LEU A 21 -6.532 -10.980 1.721 1.00 4.12 C ATOM 322 CD2 LEU A 21 -8.587 -9.589 2.034 1.00 4.21 C ATOM 0 H LEU A 21 -6.598 -7.564 -2.242 1.00 72.31 H new ATOM 0 HA LEU A 21 -5.912 -10.249 -1.240 1.00 43.04 H new ATOM 0 HB2 LEU A 21 -6.079 -8.706 0.696 1.00 70.23 H new ATOM 0 HB3 LEU A 21 -7.672 -8.208 0.162 1.00 70.23 H new ATOM 0 HG LEU A 21 -8.159 -10.828 0.352 1.00 4.11 H new ATOM 0 HD11 LEU A 21 -6.998 -11.770 2.310 1.00 4.12 H new ATOM 0 HD12 LEU A 21 -5.870 -11.424 0.977 1.00 4.12 H new ATOM 0 HD13 LEU A 21 -5.955 -10.330 2.379 1.00 4.12 H new ATOM 0 HD21 LEU A 21 -9.025 -10.398 2.619 1.00 4.21 H new ATOM 0 HD22 LEU A 21 -8.060 -8.905 2.699 1.00 4.21 H new ATOM 0 HD23 LEU A 21 -9.377 -9.050 1.511 1.00 4.21 H new ATOM 334 N ASN A 22 -7.969 -11.136 -2.285 1.00 74.24 N ATOM 335 CA ASN A 22 -9.116 -11.673 -3.009 1.00 51.34 C ATOM 336 C ASN A 22 -10.310 -11.856 -2.078 1.00 33.22 C ATOM 337 O ASN A 22 -10.186 -12.437 -1.001 1.00 34.43 O ATOM 338 CB ASN A 22 -8.754 -13.008 -3.662 1.00 31.40 C ATOM 339 CG ASN A 22 -9.564 -13.278 -4.915 1.00 54.12 C ATOM 340 OD1 ASN A 22 -9.319 -12.685 -5.966 1.00 15.53 O ATOM 341 ND2 ASN A 22 -10.536 -14.177 -4.809 1.00 40.04 N ATOM 0 H ASN A 22 -7.278 -11.835 -2.011 1.00 74.24 H new ATOM 0 HA ASN A 22 -9.390 -10.959 -3.786 1.00 51.34 H new ATOM 0 HB2 ASN A 22 -7.693 -13.011 -3.911 1.00 31.40 H new ATOM 0 HB3 ASN A 22 -8.916 -13.815 -2.947 1.00 31.40 H new ATOM 0 HD21 ASN A 22 -11.115 -14.400 -5.619 1.00 40.04 H new ATOM 0 HD22 ASN A 22 -10.704 -14.644 -3.918 1.00 40.04 H new ATOM 348 N ASN A 23 -11.467 -11.356 -2.502 1.00 23.55 N ATOM 349 CA ASN A 23 -12.684 -11.465 -1.705 1.00 62.25 C ATOM 350 C ASN A 23 -12.448 -10.971 -0.281 1.00 72.52 C ATOM 351 O ASN A 23 -12.488 -11.737 0.682 1.00 14.13 O ATOM 352 CB ASN A 23 -13.174 -12.914 -1.680 1.00 62.43 C ATOM 353 CG ASN A 23 -14.417 -13.090 -0.829 1.00 42.34 C ATOM 354 OD1 ASN A 23 -14.513 -14.027 -0.036 1.00 43.44 O ATOM 355 ND2 ASN A 23 -15.377 -12.186 -0.991 1.00 64.30 N ATOM 0 H ASN A 23 -11.587 -10.872 -3.392 1.00 23.55 H new ATOM 0 HA ASN A 23 -13.448 -10.838 -2.166 1.00 62.25 H new ATOM 0 HB2 ASN A 23 -13.385 -13.241 -2.698 1.00 62.43 H new ATOM 0 HB3 ASN A 23 -12.381 -13.556 -1.297 1.00 62.43 H new ATOM 0 HD21 ASN A 23 -16.237 -12.252 -0.446 1.00 64.30 H new ATOM 0 HD22 ASN A 23 -15.254 -11.426 -1.660 1.00 64.30 H new ATOM 362 N PRO A 24 -12.197 -9.661 -0.143 1.00 61.22 N ATOM 363 CA PRO A 24 -11.951 -9.035 1.159 1.00 31.23 C ATOM 364 C PRO A 24 -13.206 -8.986 2.025 1.00 43.54 C ATOM 365 O PRO A 24 -14.317 -8.837 1.516 1.00 63.22 O ATOM 366 CB PRO A 24 -11.498 -7.620 0.793 1.00 40.23 C ATOM 367 CG PRO A 24 -12.105 -7.362 -0.543 1.00 43.22 C ATOM 368 CD PRO A 24 -12.134 -8.690 -1.248 1.00 42.21 C ATOM 0 HA PRO A 24 -11.221 -9.591 1.747 1.00 31.23 H new ATOM 0 HB2 PRO A 24 -11.838 -6.892 1.530 1.00 40.23 H new ATOM 0 HB3 PRO A 24 -10.411 -7.550 0.754 1.00 40.23 H new ATOM 0 HG2 PRO A 24 -13.110 -6.952 -0.442 1.00 43.22 H new ATOM 0 HG3 PRO A 24 -11.518 -6.635 -1.104 1.00 43.22 H new ATOM 0 HD2 PRO A 24 -12.997 -8.776 -1.908 1.00 42.21 H new ATOM 0 HD3 PRO A 24 -11.246 -8.838 -1.863 1.00 42.21 H new ATOM 376 N SER A 25 -13.021 -9.110 3.335 1.00 64.11 N ATOM 377 CA SER A 25 -14.138 -9.083 4.271 1.00 55.32 C ATOM 378 C SER A 25 -14.469 -7.651 4.681 1.00 43.21 C ATOM 379 O SER A 25 -13.645 -6.748 4.538 1.00 1.12 O ATOM 380 CB SER A 25 -13.814 -9.918 5.511 1.00 62.34 C ATOM 381 OG SER A 25 -14.492 -11.162 5.479 1.00 33.03 O ATOM 0 H SER A 25 -12.107 -9.230 3.772 1.00 64.11 H new ATOM 0 HA SER A 25 -15.008 -9.510 3.772 1.00 55.32 H new ATOM 0 HB2 SER A 25 -12.739 -10.088 5.568 1.00 62.34 H new ATOM 0 HB3 SER A 25 -14.098 -9.368 6.408 1.00 62.34 H new ATOM 0 HG SER A 25 -14.267 -11.678 6.281 1.00 33.03 H new ATOM 387 N GLU A 26 -15.680 -7.452 5.191 1.00 31.31 N ATOM 388 CA GLU A 26 -16.120 -6.130 5.621 1.00 20.22 C ATOM 389 C GLU A 26 -15.229 -5.598 6.740 1.00 42.55 C ATOM 390 O GLU A 26 -15.046 -4.388 6.879 1.00 65.11 O ATOM 391 CB GLU A 26 -17.574 -6.181 6.093 1.00 15.15 C ATOM 392 CG GLU A 26 -18.528 -5.390 5.214 1.00 41.31 C ATOM 393 CD GLU A 26 -19.674 -4.780 5.997 1.00 34.12 C ATOM 394 OE1 GLU A 26 -20.195 -5.456 6.909 1.00 25.43 O ATOM 395 OE2 GLU A 26 -20.052 -3.628 5.698 1.00 5.03 O ATOM 0 H GLU A 26 -16.374 -8.189 5.317 1.00 31.31 H new ATOM 0 HA GLU A 26 -16.046 -5.455 4.768 1.00 20.22 H new ATOM 0 HB2 GLU A 26 -17.900 -7.220 6.125 1.00 15.15 H new ATOM 0 HB3 GLU A 26 -17.630 -5.798 7.112 1.00 15.15 H new ATOM 0 HG2 GLU A 26 -17.977 -4.598 4.708 1.00 41.31 H new ATOM 0 HG3 GLU A 26 -18.929 -6.044 4.440 1.00 41.31 H new ATOM 402 N ASP A 27 -14.678 -6.509 7.534 1.00 51.12 N ATOM 403 CA ASP A 27 -13.806 -6.132 8.640 1.00 63.11 C ATOM 404 C ASP A 27 -12.419 -5.749 8.132 1.00 11.02 C ATOM 405 O ASP A 27 -11.879 -4.707 8.502 1.00 21.21 O ATOM 406 CB ASP A 27 -13.695 -7.280 9.644 1.00 33.34 C ATOM 407 CG ASP A 27 -14.923 -7.398 10.527 1.00 45.52 C ATOM 408 OD1 ASP A 27 -14.993 -6.676 11.543 1.00 10.32 O ATOM 409 OD2 ASP A 27 -15.812 -8.212 10.201 1.00 11.35 O ATOM 0 H ASP A 27 -14.820 -7.514 7.432 1.00 51.12 H new ATOM 0 HA ASP A 27 -14.244 -5.266 9.137 1.00 63.11 H new ATOM 0 HB2 ASP A 27 -13.547 -8.216 9.106 1.00 33.34 H new ATOM 0 HB3 ASP A 27 -12.815 -7.129 10.269 1.00 33.34 H new ATOM 414 N GLU A 28 -11.849 -6.599 7.284 1.00 72.21 N ATOM 415 CA GLU A 28 -10.525 -6.350 6.728 1.00 44.54 C ATOM 416 C GLU A 28 -10.536 -5.117 5.828 1.00 3.34 C ATOM 417 O GLU A 28 -9.643 -4.272 5.904 1.00 15.25 O ATOM 418 CB GLU A 28 -10.042 -7.567 5.937 1.00 65.03 C ATOM 419 CG GLU A 28 -8.726 -8.137 6.440 1.00 40.11 C ATOM 420 CD GLU A 28 -7.562 -7.188 6.232 1.00 4.13 C ATOM 421 OE1 GLU A 28 -7.717 -6.220 5.459 1.00 41.23 O ATOM 422 OE2 GLU A 28 -6.496 -7.413 6.843 1.00 61.14 O ATOM 0 H GLU A 28 -12.284 -7.466 6.967 1.00 72.21 H new ATOM 0 HA GLU A 28 -9.840 -6.169 7.556 1.00 44.54 H new ATOM 0 HB2 GLU A 28 -10.805 -8.344 5.980 1.00 65.03 H new ATOM 0 HB3 GLU A 28 -9.931 -7.288 4.889 1.00 65.03 H new ATOM 0 HG2 GLU A 28 -8.816 -8.368 7.501 1.00 40.11 H new ATOM 0 HG3 GLU A 28 -8.521 -9.076 5.926 1.00 40.11 H new ATOM 429 N ARG A 29 -11.552 -5.022 4.977 1.00 43.21 N ATOM 430 CA ARG A 29 -11.679 -3.894 4.062 1.00 63.24 C ATOM 431 C ARG A 29 -11.857 -2.588 4.830 1.00 55.12 C ATOM 432 O ARG A 29 -11.319 -1.550 4.445 1.00 41.20 O ATOM 433 CB ARG A 29 -12.862 -4.108 3.116 1.00 61.21 C ATOM 434 CG ARG A 29 -13.058 -2.977 2.120 1.00 11.10 C ATOM 435 CD ARG A 29 -14.532 -2.727 1.844 1.00 15.45 C ATOM 436 NE ARG A 29 -15.025 -3.531 0.730 1.00 73.23 N ATOM 437 CZ ARG A 29 -16.123 -3.239 0.041 1.00 42.31 C ATOM 438 NH1 ARG A 29 -16.838 -2.166 0.351 1.00 44.12 N ATOM 439 NH2 ARG A 29 -16.507 -4.020 -0.961 1.00 1.24 N ATOM 0 H ARG A 29 -12.299 -5.712 4.902 1.00 43.21 H new ATOM 0 HA ARG A 29 -10.762 -3.828 3.476 1.00 63.24 H new ATOM 0 HB2 ARG A 29 -12.716 -5.040 2.570 1.00 61.21 H new ATOM 0 HB3 ARG A 29 -13.772 -4.223 3.706 1.00 61.21 H new ATOM 0 HG2 ARG A 29 -12.600 -2.067 2.507 1.00 11.10 H new ATOM 0 HG3 ARG A 29 -12.548 -3.219 1.188 1.00 11.10 H new ATOM 0 HD2 ARG A 29 -15.112 -2.954 2.739 1.00 15.45 H new ATOM 0 HD3 ARG A 29 -14.685 -1.670 1.624 1.00 15.45 H new ATOM 0 HE ARG A 29 -14.497 -4.363 0.466 1.00 73.23 H new ATOM 0 HH11 ARG A 29 -16.545 -1.563 1.120 1.00 44.12 H new ATOM 0 HH12 ARG A 29 -17.680 -1.944 -0.179 1.00 44.12 H new ATOM 0 HH21 ARG A 29 -15.959 -4.846 -1.203 1.00 1.24 H new ATOM 0 HH22 ARG A 29 -17.350 -3.795 -1.489 1.00 1.24 H new ATOM 453 N LYS A 30 -12.618 -2.647 5.918 1.00 41.33 N ATOM 454 CA LYS A 30 -12.868 -1.470 6.741 1.00 12.14 C ATOM 455 C LYS A 30 -11.607 -1.052 7.490 1.00 1.51 C ATOM 456 O LYS A 30 -11.356 0.137 7.690 1.00 53.31 O ATOM 457 CB LYS A 30 -13.996 -1.750 7.737 1.00 11.43 C ATOM 458 CG LYS A 30 -15.384 -1.527 7.162 1.00 32.43 C ATOM 459 CD LYS A 30 -15.920 -0.150 7.516 1.00 72.15 C ATOM 460 CE LYS A 30 -17.074 -0.237 8.502 1.00 35.42 C ATOM 461 NZ LYS A 30 -17.556 1.110 8.913 1.00 53.52 N ATOM 0 H LYS A 30 -13.072 -3.498 6.250 1.00 41.33 H new ATOM 0 HA LYS A 30 -13.166 -0.654 6.083 1.00 12.14 H new ATOM 0 HB2 LYS A 30 -13.916 -2.781 8.083 1.00 11.43 H new ATOM 0 HB3 LYS A 30 -13.866 -1.110 8.610 1.00 11.43 H new ATOM 0 HG2 LYS A 30 -15.352 -1.638 6.078 1.00 32.43 H new ATOM 0 HG3 LYS A 30 -16.063 -2.291 7.541 1.00 32.43 H new ATOM 0 HD2 LYS A 30 -15.120 0.454 7.944 1.00 72.15 H new ATOM 0 HD3 LYS A 30 -16.252 0.356 6.610 1.00 72.15 H new ATOM 0 HE2 LYS A 30 -17.895 -0.794 8.051 1.00 35.42 H new ATOM 0 HE3 LYS A 30 -16.757 -0.794 9.384 1.00 35.42 H new ATOM 0 HZ1 LYS A 30 -18.343 1.007 9.585 1.00 53.52 H new ATOM 0 HZ2 LYS A 30 -16.780 1.633 9.366 1.00 53.52 H new ATOM 0 HZ3 LYS A 30 -17.883 1.632 8.075 1.00 53.52 H new ATOM 475 N LYS A 31 -10.814 -2.036 7.901 1.00 14.31 N ATOM 476 CA LYS A 31 -9.577 -1.770 8.625 1.00 30.53 C ATOM 477 C LYS A 31 -8.616 -0.945 7.776 1.00 63.10 C ATOM 478 O LYS A 31 -8.116 0.090 8.217 1.00 50.41 O ATOM 479 CB LYS A 31 -8.911 -3.085 9.036 1.00 23.44 C ATOM 480 CG LYS A 31 -7.500 -2.911 9.573 1.00 75.01 C ATOM 481 CD LYS A 31 -6.881 -4.244 9.956 1.00 64.44 C ATOM 482 CE LYS A 31 -5.447 -4.355 9.460 1.00 22.21 C ATOM 483 NZ LYS A 31 -4.537 -3.424 10.183 1.00 24.51 N ATOM 0 H LYS A 31 -11.006 -3.025 7.745 1.00 14.31 H new ATOM 0 HA LYS A 31 -9.824 -1.199 9.520 1.00 30.53 H new ATOM 0 HB2 LYS A 31 -9.523 -3.570 9.796 1.00 23.44 H new ATOM 0 HB3 LYS A 31 -8.883 -3.753 8.175 1.00 23.44 H new ATOM 0 HG2 LYS A 31 -6.881 -2.424 8.820 1.00 75.01 H new ATOM 0 HG3 LYS A 31 -7.519 -2.254 10.443 1.00 75.01 H new ATOM 0 HD2 LYS A 31 -6.902 -4.358 11.040 1.00 64.44 H new ATOM 0 HD3 LYS A 31 -7.476 -5.056 9.538 1.00 64.44 H new ATOM 0 HE2 LYS A 31 -5.096 -5.379 9.589 1.00 22.21 H new ATOM 0 HE3 LYS A 31 -5.414 -4.139 8.392 1.00 22.21 H new ATOM 0 HZ1 LYS A 31 -3.648 -3.326 9.653 1.00 24.51 H new ATOM 0 HZ2 LYS A 31 -4.992 -2.493 10.272 1.00 24.51 H new ATOM 0 HZ3 LYS A 31 -4.335 -3.802 11.131 1.00 24.51 H new ATOM 497 N ILE A 32 -8.363 -1.409 6.557 1.00 64.20 N ATOM 498 CA ILE A 32 -7.464 -0.712 5.646 1.00 5.21 C ATOM 499 C ILE A 32 -8.014 0.661 5.274 1.00 71.33 C ATOM 500 O ILE A 32 -7.275 1.644 5.220 1.00 63.54 O ATOM 501 CB ILE A 32 -7.225 -1.523 4.359 1.00 73.40 C ATOM 502 CG1 ILE A 32 -6.223 -2.650 4.619 1.00 74.23 C ATOM 503 CG2 ILE A 32 -6.731 -0.614 3.244 1.00 70.44 C ATOM 504 CD1 ILE A 32 -6.040 -3.579 3.439 1.00 21.43 C ATOM 0 H ILE A 32 -8.768 -2.265 6.177 1.00 64.20 H new ATOM 0 HA ILE A 32 -6.516 -0.591 6.170 1.00 5.21 H new ATOM 0 HB ILE A 32 -8.170 -1.968 4.047 1.00 73.40 H new ATOM 0 HG12 ILE A 32 -5.259 -2.215 4.882 1.00 74.23 H new ATOM 0 HG13 ILE A 32 -6.556 -3.230 5.480 1.00 74.23 H new ATOM 0 HG21 ILE A 32 -6.567 -1.202 2.341 1.00 70.44 H new ATOM 0 HG22 ILE A 32 -7.477 0.156 3.045 1.00 70.44 H new ATOM 0 HG23 ILE A 32 -5.795 -0.143 3.546 1.00 70.44 H new ATOM 0 HD11 ILE A 32 -5.316 -4.353 3.694 1.00 21.43 H new ATOM 0 HD12 ILE A 32 -6.994 -4.043 3.189 1.00 21.43 H new ATOM 0 HD13 ILE A 32 -5.677 -3.012 2.582 1.00 21.43 H new ATOM 516 N ARG A 33 -9.317 0.720 5.019 1.00 12.35 N ATOM 517 CA ARG A 33 -9.967 1.973 4.653 1.00 75.41 C ATOM 518 C ARG A 33 -10.036 2.920 5.847 1.00 21.33 C ATOM 519 O ARG A 33 -10.182 4.131 5.684 1.00 11.20 O ATOM 520 CB ARG A 33 -11.376 1.704 4.120 1.00 32.44 C ATOM 521 CG ARG A 33 -12.196 2.965 3.904 1.00 75.33 C ATOM 522 CD ARG A 33 -13.324 2.732 2.910 1.00 43.12 C ATOM 523 NE ARG A 33 -14.548 2.281 3.566 1.00 2.13 N ATOM 524 CZ ARG A 33 -15.332 3.077 4.285 1.00 31.41 C ATOM 525 NH1 ARG A 33 -15.022 4.356 4.439 1.00 42.43 N ATOM 526 NH2 ARG A 33 -16.430 2.592 4.852 1.00 41.23 N ATOM 0 H ARG A 33 -9.943 -0.084 5.059 1.00 12.35 H new ATOM 0 HA ARG A 33 -9.373 2.446 3.871 1.00 75.41 H new ATOM 0 HB2 ARG A 33 -11.301 1.163 3.177 1.00 32.44 H new ATOM 0 HB3 ARG A 33 -11.902 1.054 4.819 1.00 32.44 H new ATOM 0 HG2 ARG A 33 -12.611 3.298 4.855 1.00 75.33 H new ATOM 0 HG3 ARG A 33 -11.549 3.764 3.541 1.00 75.33 H new ATOM 0 HD2 ARG A 33 -13.524 3.655 2.366 1.00 43.12 H new ATOM 0 HD3 ARG A 33 -13.012 1.990 2.175 1.00 43.12 H new ATOM 0 HE ARG A 33 -14.816 1.302 3.467 1.00 2.13 H new ATOM 0 HH11 ARG A 33 -14.179 4.732 4.005 1.00 42.43 H new ATOM 0 HH12 ARG A 33 -15.626 4.964 4.992 1.00 42.43 H new ATOM 0 HH21 ARG A 33 -16.672 1.608 4.736 1.00 41.23 H new ATOM 0 HH22 ARG A 33 -17.032 3.203 5.404 1.00 41.23 H new ATOM 540 N ASP A 34 -9.930 2.359 7.047 1.00 42.11 N ATOM 541 CA ASP A 34 -9.979 3.153 8.269 1.00 10.21 C ATOM 542 C ASP A 34 -8.574 3.431 8.794 1.00 62.42 C ATOM 543 O ASP A 34 -8.403 3.943 9.901 1.00 63.30 O ATOM 544 CB ASP A 34 -10.803 2.433 9.338 1.00 40.13 C ATOM 545 CG ASP A 34 -12.285 2.426 9.019 1.00 71.34 C ATOM 546 OD1 ASP A 34 -12.733 3.310 8.259 1.00 71.25 O ATOM 547 OD2 ASP A 34 -12.997 1.535 9.528 1.00 3.31 O ATOM 0 H ASP A 34 -9.810 1.358 7.199 1.00 42.11 H new ATOM 0 HA ASP A 34 -10.455 4.105 8.035 1.00 10.21 H new ATOM 0 HB2 ASP A 34 -10.450 1.406 9.434 1.00 40.13 H new ATOM 0 HB3 ASP A 34 -10.644 2.916 10.302 1.00 40.13 H new ATOM 552 N LEU A 35 -7.571 3.088 7.993 1.00 4.40 N ATOM 553 CA LEU A 35 -6.179 3.300 8.377 1.00 71.53 C ATOM 554 C LEU A 35 -5.868 4.788 8.500 1.00 60.30 C ATOM 555 O LEU A 35 -6.575 5.641 7.964 1.00 14.34 O ATOM 556 CB LEU A 35 -5.244 2.654 7.353 1.00 44.43 C ATOM 557 CG LEU A 35 -4.975 1.160 7.537 1.00 4.50 C ATOM 558 CD1 LEU A 35 -4.213 0.604 6.344 1.00 4.22 C ATOM 559 CD2 LEU A 35 -4.206 0.912 8.826 1.00 4.25 C ATOM 0 H LEU A 35 -7.695 2.662 7.074 1.00 4.40 H new ATOM 0 HA LEU A 35 -6.021 2.834 9.350 1.00 71.53 H new ATOM 0 HB2 LEU A 35 -5.665 2.807 6.359 1.00 44.43 H new ATOM 0 HB3 LEU A 35 -4.290 3.180 7.379 1.00 44.43 H new ATOM 0 HG LEU A 35 -5.932 0.643 7.603 1.00 4.50 H new ATOM 0 HD11 LEU A 35 -4.031 -0.460 6.493 1.00 4.22 H new ATOM 0 HD12 LEU A 35 -4.801 0.748 5.437 1.00 4.22 H new ATOM 0 HD13 LEU A 35 -3.261 1.125 6.246 1.00 4.22 H new ATOM 0 HD21 LEU A 35 -4.023 -0.156 8.941 1.00 4.25 H new ATOM 0 HD22 LEU A 35 -3.254 1.441 8.789 1.00 4.25 H new ATOM 0 HD23 LEU A 35 -4.789 1.273 9.673 1.00 4.25 H new ATOM 571 N PRO A 36 -4.783 5.108 9.221 1.00 70.04 N ATOM 572 CA PRO A 36 -4.352 6.493 9.429 1.00 44.44 C ATOM 573 C PRO A 36 -3.813 7.131 8.152 1.00 24.44 C ATOM 574 O PRO A 36 -2.819 6.670 7.590 1.00 44.41 O ATOM 575 CB PRO A 36 -3.240 6.366 10.473 1.00 21.32 C ATOM 576 CG PRO A 36 -2.717 4.981 10.302 1.00 2.33 C ATOM 577 CD PRO A 36 -3.894 4.142 9.887 1.00 4.24 C ATOM 0 HA PRO A 36 -5.177 7.134 9.741 1.00 44.44 H new ATOM 0 HB2 PRO A 36 -2.458 7.108 10.311 1.00 21.32 H new ATOM 0 HB3 PRO A 36 -3.624 6.523 11.481 1.00 21.32 H new ATOM 0 HG2 PRO A 36 -1.931 4.951 9.547 1.00 2.33 H new ATOM 0 HG3 PRO A 36 -2.282 4.611 11.230 1.00 2.33 H new ATOM 0 HD2 PRO A 36 -3.597 3.338 9.213 1.00 4.24 H new ATOM 0 HD3 PRO A 36 -4.378 3.676 10.745 1.00 4.24 H new ATOM 585 N ILE A 37 -4.474 8.191 7.701 1.00 20.02 N ATOM 586 CA ILE A 37 -4.059 8.892 6.492 1.00 35.41 C ATOM 587 C ILE A 37 -2.738 9.622 6.706 1.00 51.14 C ATOM 588 O ILE A 37 -1.924 9.734 5.789 1.00 23.04 O ATOM 589 CB ILE A 37 -5.125 9.905 6.035 1.00 33.02 C ATOM 590 CG1 ILE A 37 -5.521 10.821 7.196 1.00 64.54 C ATOM 591 CG2 ILE A 37 -6.345 9.180 5.486 1.00 20.34 C ATOM 592 CD1 ILE A 37 -6.482 11.919 6.798 1.00 31.35 C ATOM 0 H ILE A 37 -5.299 8.584 8.154 1.00 20.02 H new ATOM 0 HA ILE A 37 -3.932 8.136 5.717 1.00 35.41 H new ATOM 0 HB ILE A 37 -4.703 10.519 5.239 1.00 33.02 H new ATOM 0 HG12 ILE A 37 -5.975 10.220 7.984 1.00 64.54 H new ATOM 0 HG13 ILE A 37 -4.622 11.271 7.616 1.00 64.54 H new ATOM 0 HG21 ILE A 37 -7.089 9.910 5.167 1.00 20.34 H new ATOM 0 HG22 ILE A 37 -6.051 8.566 4.635 1.00 20.34 H new ATOM 0 HG23 ILE A 37 -6.770 8.544 6.262 1.00 20.34 H new ATOM 0 HD11 ILE A 37 -6.719 12.529 7.670 1.00 31.35 H new ATOM 0 HD12 ILE A 37 -6.023 12.544 6.032 1.00 31.35 H new ATOM 0 HD13 ILE A 37 -7.397 11.477 6.405 1.00 31.35 H new ATOM 604 N SER A 38 -2.531 10.116 7.922 1.00 12.21 N ATOM 605 CA SER A 38 -1.309 10.838 8.256 1.00 11.03 C ATOM 606 C SER A 38 -0.103 9.905 8.230 1.00 25.31 C ATOM 607 O SER A 38 1.038 10.349 8.093 1.00 61.12 O ATOM 608 CB SER A 38 -1.436 11.487 9.636 1.00 51.22 C ATOM 609 OG SER A 38 -2.730 12.033 9.826 1.00 72.44 O ATOM 0 H SER A 38 -3.194 10.030 8.693 1.00 12.21 H new ATOM 0 HA SER A 38 -1.160 11.617 7.508 1.00 11.03 H new ATOM 0 HB2 SER A 38 -1.233 10.746 10.410 1.00 51.22 H new ATOM 0 HB3 SER A 38 -0.687 12.272 9.742 1.00 51.22 H new ATOM 0 HG SER A 38 -2.786 12.440 10.716 1.00 72.44 H new ATOM 615 N LEU A 39 -0.362 8.609 8.363 1.00 73.32 N ATOM 616 CA LEU A 39 0.701 7.610 8.355 1.00 44.44 C ATOM 617 C LEU A 39 1.263 7.425 6.949 1.00 63.13 C ATOM 618 O LEU A 39 2.434 7.087 6.776 1.00 25.44 O ATOM 619 CB LEU A 39 0.179 6.275 8.888 1.00 52.25 C ATOM 620 CG LEU A 39 1.155 5.464 9.740 1.00 4.31 C ATOM 621 CD1 LEU A 39 0.422 4.769 10.876 1.00 33.23 C ATOM 622 CD2 LEU A 39 1.897 4.450 8.882 1.00 5.00 C ATOM 0 H LEU A 39 -1.300 8.225 8.478 1.00 73.32 H new ATOM 0 HA LEU A 39 1.503 7.963 9.004 1.00 44.44 H new ATOM 0 HB2 LEU A 39 -0.715 6.468 9.481 1.00 52.25 H new ATOM 0 HB3 LEU A 39 -0.127 5.663 8.040 1.00 52.25 H new ATOM 0 HG LEU A 39 1.885 6.148 10.172 1.00 4.31 H new ATOM 0 HD11 LEU A 39 1.133 4.197 11.472 1.00 33.23 H new ATOM 0 HD12 LEU A 39 -0.062 5.515 11.507 1.00 33.23 H new ATOM 0 HD13 LEU A 39 -0.331 4.097 10.465 1.00 33.23 H new ATOM 0 HD21 LEU A 39 2.587 3.882 9.505 1.00 5.00 H new ATOM 0 HD22 LEU A 39 1.181 3.770 8.421 1.00 5.00 H new ATOM 0 HD23 LEU A 39 2.455 4.971 8.104 1.00 5.00 H new ATOM 634 N PHE A 40 0.421 7.651 5.946 1.00 71.31 N ATOM 635 CA PHE A 40 0.834 7.510 4.554 1.00 34.24 C ATOM 636 C PHE A 40 0.577 8.798 3.778 1.00 74.12 C ATOM 637 O PHE A 40 -0.568 9.223 3.620 1.00 32.51 O ATOM 638 CB PHE A 40 0.090 6.347 3.895 1.00 32.50 C ATOM 639 CG PHE A 40 -0.066 5.151 4.790 1.00 34.42 C ATOM 640 CD1 PHE A 40 -1.144 5.053 5.656 1.00 62.31 C ATOM 641 CD2 PHE A 40 0.864 4.124 4.766 1.00 52.04 C ATOM 642 CE1 PHE A 40 -1.289 3.954 6.481 1.00 33.32 C ATOM 643 CE2 PHE A 40 0.723 3.022 5.588 1.00 3.23 C ATOM 644 CZ PHE A 40 -0.355 2.937 6.446 1.00 34.45 C ATOM 0 H PHE A 40 -0.551 7.933 6.071 1.00 71.31 H new ATOM 0 HA PHE A 40 1.904 7.304 4.537 1.00 34.24 H new ATOM 0 HB2 PHE A 40 -0.897 6.688 3.582 1.00 32.50 H new ATOM 0 HB3 PHE A 40 0.625 6.049 2.993 1.00 32.50 H new ATOM 0 HD1 PHE A 40 -1.879 5.844 5.686 1.00 62.31 H new ATOM 0 HD2 PHE A 40 1.709 4.186 4.097 1.00 52.04 H new ATOM 0 HE1 PHE A 40 -2.132 3.890 7.153 1.00 33.32 H new ATOM 0 HE2 PHE A 40 1.455 2.229 5.559 1.00 3.23 H new ATOM 0 HZ PHE A 40 -0.468 2.077 7.089 1.00 34.45 H new ATOM 654 N ASP A 41 1.650 9.415 3.296 1.00 72.12 N ATOM 655 CA ASP A 41 1.542 10.654 2.535 1.00 10.41 C ATOM 656 C ASP A 41 0.540 10.506 1.394 1.00 0.53 C ATOM 657 O ASP A 41 -0.088 11.480 0.976 1.00 65.43 O ATOM 658 CB ASP A 41 2.909 11.058 1.981 1.00 40.14 C ATOM 659 CG ASP A 41 3.004 12.545 1.700 1.00 72.12 C ATOM 660 OD1 ASP A 41 1.982 13.139 1.297 1.00 32.52 O ATOM 661 OD2 ASP A 41 4.100 13.115 1.882 1.00 64.33 O ATOM 0 H ASP A 41 2.605 9.077 3.419 1.00 72.12 H new ATOM 0 HA ASP A 41 1.186 11.435 3.208 1.00 10.41 H new ATOM 0 HB2 ASP A 41 3.684 10.776 2.693 1.00 40.14 H new ATOM 0 HB3 ASP A 41 3.103 10.505 1.062 1.00 40.14 H new ATOM 666 N TYR A 42 0.396 9.284 0.895 1.00 20.02 N ATOM 667 CA TYR A 42 -0.527 9.009 -0.200 1.00 1.23 C ATOM 668 C TYR A 42 -1.230 7.671 0.004 1.00 72.35 C ATOM 669 O TYR A 42 -0.584 6.635 0.164 1.00 74.32 O ATOM 670 CB TYR A 42 0.219 9.009 -1.535 1.00 71.42 C ATOM 671 CG TYR A 42 -0.671 8.729 -2.725 1.00 63.23 C ATOM 672 CD1 TYR A 42 -1.954 9.258 -2.798 1.00 24.31 C ATOM 673 CD2 TYR A 42 -0.229 7.935 -3.777 1.00 11.14 C ATOM 674 CE1 TYR A 42 -2.770 9.004 -3.883 1.00 14.41 C ATOM 675 CE2 TYR A 42 -1.038 7.678 -4.866 1.00 73.32 C ATOM 676 CZ TYR A 42 -2.308 8.214 -4.915 1.00 10.34 C ATOM 677 OH TYR A 42 -3.118 7.959 -5.998 1.00 3.04 O ATOM 0 H TYR A 42 0.907 8.468 1.231 1.00 20.02 H new ATOM 0 HA TYR A 42 -1.281 9.796 -0.213 1.00 1.23 H new ATOM 0 HB2 TYR A 42 0.701 9.977 -1.672 1.00 71.42 H new ATOM 0 HB3 TYR A 42 1.011 8.260 -1.500 1.00 71.42 H new ATOM 0 HD1 TYR A 42 -2.319 9.878 -1.993 1.00 24.31 H new ATOM 0 HD2 TYR A 42 0.764 7.512 -3.742 1.00 11.14 H new ATOM 0 HE1 TYR A 42 -3.765 9.422 -3.923 1.00 14.41 H new ATOM 0 HE2 TYR A 42 -0.678 7.060 -5.676 1.00 73.32 H new ATOM 0 HH TYR A 42 -4.057 8.060 -5.735 1.00 3.04 H new ATOM 687 N PHE A 43 -2.559 7.701 -0.005 1.00 23.40 N ATOM 688 CA PHE A 43 -3.352 6.491 0.179 1.00 62.34 C ATOM 689 C PHE A 43 -4.464 6.406 -0.863 1.00 11.34 C ATOM 690 O PHE A 43 -5.375 7.234 -0.881 1.00 53.32 O ATOM 691 CB PHE A 43 -3.952 6.457 1.586 1.00 45.12 C ATOM 692 CG PHE A 43 -4.010 5.079 2.180 1.00 73.34 C ATOM 693 CD1 PHE A 43 -4.037 3.959 1.364 1.00 50.11 C ATOM 694 CD2 PHE A 43 -4.040 4.903 3.554 1.00 65.33 C ATOM 695 CE1 PHE A 43 -4.091 2.689 1.907 1.00 2.21 C ATOM 696 CE2 PHE A 43 -4.093 3.635 4.103 1.00 42.54 C ATOM 697 CZ PHE A 43 -4.120 2.527 3.278 1.00 3.44 C ATOM 0 H PHE A 43 -3.109 8.550 -0.138 1.00 23.40 H new ATOM 0 HA PHE A 43 -2.693 5.632 0.052 1.00 62.34 H new ATOM 0 HB2 PHE A 43 -3.363 7.101 2.239 1.00 45.12 H new ATOM 0 HB3 PHE A 43 -4.959 6.872 1.553 1.00 45.12 H new ATOM 0 HD1 PHE A 43 -4.016 4.080 0.291 1.00 50.11 H new ATOM 0 HD2 PHE A 43 -4.022 5.766 4.203 1.00 65.33 H new ATOM 0 HE1 PHE A 43 -4.110 1.825 1.260 1.00 2.21 H new ATOM 0 HE2 PHE A 43 -4.113 3.511 5.176 1.00 42.54 H new ATOM 0 HZ PHE A 43 -4.164 1.536 3.705 1.00 3.44 H new ATOM 707 N ILE A 44 -4.382 5.401 -1.727 1.00 64.14 N ATOM 708 CA ILE A 44 -5.381 5.208 -2.771 1.00 63.20 C ATOM 709 C ILE A 44 -5.754 3.736 -2.909 1.00 70.30 C ATOM 710 O ILE A 44 -4.914 2.900 -3.244 1.00 35.22 O ATOM 711 CB ILE A 44 -4.881 5.729 -4.132 1.00 34.14 C ATOM 712 CG1 ILE A 44 -5.785 5.223 -5.259 1.00 5.35 C ATOM 713 CG2 ILE A 44 -3.441 5.300 -4.367 1.00 21.30 C ATOM 714 CD1 ILE A 44 -6.001 6.237 -6.360 1.00 72.01 C ATOM 0 H ILE A 44 -3.634 4.707 -1.725 1.00 64.14 H new ATOM 0 HA ILE A 44 -6.262 5.778 -2.474 1.00 63.20 H new ATOM 0 HB ILE A 44 -4.917 6.818 -4.124 1.00 34.14 H new ATOM 0 HG12 ILE A 44 -5.348 4.321 -5.687 1.00 5.35 H new ATOM 0 HG13 ILE A 44 -6.751 4.941 -4.840 1.00 5.35 H new ATOM 0 HG21 ILE A 44 -3.102 5.676 -5.333 1.00 21.30 H new ATOM 0 HG22 ILE A 44 -2.807 5.705 -3.578 1.00 21.30 H new ATOM 0 HG23 ILE A 44 -3.380 4.212 -4.359 1.00 21.30 H new ATOM 0 HD11 ILE A 44 -6.651 5.811 -7.125 1.00 72.01 H new ATOM 0 HD12 ILE A 44 -6.466 7.131 -5.945 1.00 72.01 H new ATOM 0 HD13 ILE A 44 -5.042 6.501 -6.805 1.00 72.01 H new ATOM 726 N VAL A 45 -7.020 3.425 -2.650 1.00 54.23 N ATOM 727 CA VAL A 45 -7.507 2.054 -2.748 1.00 42.24 C ATOM 728 C VAL A 45 -8.604 1.934 -3.800 1.00 11.31 C ATOM 729 O VAL A 45 -9.394 2.857 -3.997 1.00 4.15 O ATOM 730 CB VAL A 45 -8.049 1.553 -1.397 1.00 12.12 C ATOM 731 CG1 VAL A 45 -8.105 0.033 -1.374 1.00 4.22 C ATOM 732 CG2 VAL A 45 -7.197 2.081 -0.252 1.00 52.15 C ATOM 0 H VAL A 45 -7.728 4.104 -2.370 1.00 54.23 H new ATOM 0 HA VAL A 45 -6.658 1.437 -3.041 1.00 42.24 H new ATOM 0 HB VAL A 45 -9.063 1.932 -1.269 1.00 12.12 H new ATOM 0 HG11 VAL A 45 -8.491 -0.302 -0.411 1.00 4.22 H new ATOM 0 HG12 VAL A 45 -8.761 -0.319 -2.170 1.00 4.22 H new ATOM 0 HG13 VAL A 45 -7.104 -0.370 -1.524 1.00 4.22 H new ATOM 0 HG21 VAL A 45 -7.595 1.717 0.695 1.00 52.15 H new ATOM 0 HG22 VAL A 45 -6.171 1.734 -0.372 1.00 52.15 H new ATOM 0 HG23 VAL A 45 -7.215 3.171 -0.258 1.00 52.15 H new ATOM 742 N GLY A 46 -8.648 0.789 -4.474 1.00 42.01 N ATOM 743 CA GLY A 46 -9.653 0.569 -5.498 1.00 23.33 C ATOM 744 C GLY A 46 -10.209 -0.841 -5.470 1.00 32.02 C ATOM 745 O GLY A 46 -9.460 -1.808 -5.332 1.00 14.41 O ATOM 0 H GLY A 46 -8.006 0.010 -4.329 1.00 42.01 H new ATOM 0 HA2 GLY A 46 -10.468 1.280 -5.362 1.00 23.33 H new ATOM 0 HA3 GLY A 46 -9.218 0.766 -6.478 1.00 23.33 H new ATOM 749 N GLU A 47 -11.527 -0.958 -5.599 1.00 71.04 N ATOM 750 CA GLU A 47 -12.183 -2.260 -5.586 1.00 23.53 C ATOM 751 C GLU A 47 -12.602 -2.673 -6.994 1.00 34.24 C ATOM 752 O GLU A 47 -13.174 -1.879 -7.739 1.00 52.33 O ATOM 753 CB GLU A 47 -13.405 -2.231 -4.665 1.00 63.53 C ATOM 754 CG GLU A 47 -14.251 -3.492 -4.737 1.00 42.51 C ATOM 755 CD GLU A 47 -15.476 -3.423 -3.847 1.00 13.22 C ATOM 756 OE1 GLU A 47 -15.722 -2.349 -3.258 1.00 44.10 O ATOM 757 OE2 GLU A 47 -16.190 -4.442 -3.738 1.00 44.15 O ATOM 0 H GLU A 47 -12.161 -0.167 -5.714 1.00 71.04 H new ATOM 0 HA GLU A 47 -11.470 -2.993 -5.209 1.00 23.53 H new ATOM 0 HB2 GLU A 47 -13.072 -2.085 -3.637 1.00 63.53 H new ATOM 0 HB3 GLU A 47 -14.025 -1.372 -4.924 1.00 63.53 H new ATOM 0 HG2 GLU A 47 -14.564 -3.657 -5.768 1.00 42.51 H new ATOM 0 HG3 GLU A 47 -13.644 -4.350 -4.447 1.00 42.51 H new ATOM 875 N PRO A 56 -15.445 -10.211 -5.424 1.00 73.15 N ATOM 876 CA PRO A 56 -14.691 -8.958 -5.517 1.00 41.40 C ATOM 877 C PRO A 56 -13.224 -9.135 -5.140 1.00 41.25 C ATOM 878 O PRO A 56 -12.845 -10.138 -4.536 1.00 64.51 O ATOM 879 CB PRO A 56 -15.395 -8.045 -4.510 1.00 41.30 C ATOM 880 CG PRO A 56 -16.020 -8.975 -3.528 1.00 43.40 C ATOM 881 CD PRO A 56 -16.404 -10.202 -4.307 1.00 20.23 C ATOM 0 HA PRO A 56 -14.678 -8.565 -6.533 1.00 41.40 H new ATOM 0 HB2 PRO A 56 -14.688 -7.372 -4.024 1.00 41.30 H new ATOM 0 HB3 PRO A 56 -16.145 -7.422 -4.997 1.00 41.30 H new ATOM 0 HG2 PRO A 56 -15.323 -9.223 -2.727 1.00 43.40 H new ATOM 0 HG3 PRO A 56 -16.893 -8.520 -3.061 1.00 43.40 H new ATOM 0 HD2 PRO A 56 -16.323 -11.104 -3.701 1.00 20.23 H new ATOM 0 HD3 PRO A 56 -17.433 -10.147 -4.662 1.00 20.23 H new ATOM 889 N HIS A 57 -12.402 -8.154 -5.501 1.00 15.21 N ATOM 890 CA HIS A 57 -10.976 -8.201 -5.199 1.00 72.54 C ATOM 891 C HIS A 57 -10.463 -6.827 -4.779 1.00 74.24 C ATOM 892 O HIS A 57 -10.845 -5.808 -5.356 1.00 41.22 O ATOM 893 CB HIS A 57 -10.193 -8.702 -6.414 1.00 11.44 C ATOM 894 CG HIS A 57 -8.710 -8.553 -6.272 1.00 45.24 C ATOM 895 ND1 HIS A 57 -7.995 -7.535 -6.868 1.00 12.31 N ATOM 896 CD2 HIS A 57 -7.805 -9.300 -5.597 1.00 12.20 C ATOM 897 CE1 HIS A 57 -6.715 -7.663 -6.566 1.00 55.13 C ATOM 898 NE2 HIS A 57 -6.573 -8.726 -5.796 1.00 35.14 N ATOM 0 H HIS A 57 -12.699 -7.317 -6.003 1.00 15.21 H new ATOM 0 HA HIS A 57 -10.828 -8.893 -4.370 1.00 72.54 H new ATOM 0 HB2 HIS A 57 -10.430 -9.753 -6.581 1.00 11.44 H new ATOM 0 HB3 HIS A 57 -10.522 -8.156 -7.298 1.00 11.44 H new ATOM 0 HD1 HIS A 57 -8.392 -6.798 -7.451 1.00 12.31 H new ATOM 0 HD2 HIS A 57 -8.013 -10.183 -5.011 1.00 12.20 H new ATOM 0 HE1 HIS A 57 -5.920 -7.009 -6.893 1.00 55.13 H new ATOM 906 N LEU A 58 -9.598 -6.807 -3.772 1.00 11.32 N ATOM 907 CA LEU A 58 -9.033 -5.557 -3.274 1.00 32.33 C ATOM 908 C LEU A 58 -7.696 -5.259 -3.943 1.00 63.15 C ATOM 909 O LEU A 58 -6.839 -6.136 -4.057 1.00 53.41 O ATOM 910 CB LEU A 58 -8.853 -5.625 -1.756 1.00 63.52 C ATOM 911 CG LEU A 58 -9.490 -4.491 -0.953 1.00 20.22 C ATOM 912 CD1 LEU A 58 -9.109 -4.597 0.516 1.00 63.44 C ATOM 913 CD2 LEU A 58 -9.076 -3.140 -1.517 1.00 2.01 C ATOM 0 H LEU A 58 -9.272 -7.641 -3.284 1.00 11.32 H new ATOM 0 HA LEU A 58 -9.727 -4.752 -3.516 1.00 32.33 H new ATOM 0 HB2 LEU A 58 -9.266 -6.570 -1.403 1.00 63.52 H new ATOM 0 HB3 LEU A 58 -7.785 -5.643 -1.537 1.00 63.52 H new ATOM 0 HG LEU A 58 -10.573 -4.579 -1.033 1.00 20.22 H new ATOM 0 HD11 LEU A 58 -9.572 -3.781 1.072 1.00 63.44 H new ATOM 0 HD12 LEU A 58 -9.457 -5.550 0.914 1.00 63.44 H new ATOM 0 HD13 LEU A 58 -8.025 -4.535 0.616 1.00 63.44 H new ATOM 0 HD21 LEU A 58 -9.539 -2.345 -0.933 1.00 2.01 H new ATOM 0 HD22 LEU A 58 -7.992 -3.042 -1.468 1.00 2.01 H new ATOM 0 HD23 LEU A 58 -9.401 -3.064 -2.555 1.00 2.01 H new ATOM 925 N GLN A 59 -7.524 -4.017 -4.383 1.00 3.42 N ATOM 926 CA GLN A 59 -6.289 -3.603 -5.040 1.00 34.22 C ATOM 927 C GLN A 59 -6.055 -2.106 -4.865 1.00 63.41 C ATOM 928 O GLN A 59 -6.790 -1.285 -5.411 1.00 43.30 O ATOM 929 CB GLN A 59 -6.337 -3.954 -6.528 1.00 3.30 C ATOM 930 CG GLN A 59 -5.225 -3.309 -7.341 1.00 33.15 C ATOM 931 CD GLN A 59 -3.847 -3.774 -6.915 1.00 65.14 C ATOM 932 OE1 GLN A 59 -3.333 -4.773 -7.420 1.00 4.12 O ATOM 933 NE2 GLN A 59 -3.239 -3.050 -5.982 1.00 61.35 N ATOM 0 H GLN A 59 -8.224 -3.280 -4.297 1.00 3.42 H new ATOM 0 HA GLN A 59 -5.461 -4.138 -4.574 1.00 34.22 H new ATOM 0 HB2 GLN A 59 -6.277 -5.037 -6.640 1.00 3.30 H new ATOM 0 HB3 GLN A 59 -7.300 -3.645 -6.935 1.00 3.30 H new ATOM 0 HG2 GLN A 59 -5.372 -3.538 -8.396 1.00 33.15 H new ATOM 0 HG3 GLN A 59 -5.287 -2.226 -7.239 1.00 33.15 H new ATOM 0 HE21 GLN A 59 -3.702 -2.230 -5.591 1.00 61.35 H new ATOM 0 HE22 GLN A 59 -2.309 -3.314 -5.657 1.00 61.35 H new ATOM 942 N GLY A 60 -5.025 -1.759 -4.099 1.00 63.11 N ATOM 943 CA GLY A 60 -4.712 -0.361 -3.866 1.00 21.33 C ATOM 944 C GLY A 60 -3.242 -0.138 -3.570 1.00 12.41 C ATOM 945 O GLY A 60 -2.479 -1.092 -3.422 1.00 21.33 O ATOM 0 H GLY A 60 -4.402 -2.421 -3.636 1.00 63.11 H new ATOM 0 HA2 GLY A 60 -4.996 0.223 -4.742 1.00 21.33 H new ATOM 0 HA3 GLY A 60 -5.308 0.007 -3.031 1.00 21.33 H new ATOM 949 N PHE A 61 -2.843 1.127 -3.485 1.00 51.13 N ATOM 950 CA PHE A 61 -1.454 1.473 -3.208 1.00 40.51 C ATOM 951 C PHE A 61 -1.364 2.508 -2.090 1.00 31.44 C ATOM 952 O PHE A 61 -2.176 3.429 -2.015 1.00 41.44 O ATOM 953 CB PHE A 61 -0.779 2.012 -4.471 1.00 64.21 C ATOM 954 CG PHE A 61 0.522 2.713 -4.203 1.00 2.12 C ATOM 955 CD1 PHE A 61 1.559 2.056 -3.560 1.00 62.25 C ATOM 956 CD2 PHE A 61 0.708 4.029 -4.593 1.00 43.44 C ATOM 957 CE1 PHE A 61 2.757 2.699 -3.312 1.00 12.32 C ATOM 958 CE2 PHE A 61 1.904 4.678 -4.348 1.00 30.12 C ATOM 959 CZ PHE A 61 2.930 4.011 -3.707 1.00 11.41 C ATOM 0 H PHE A 61 -3.462 1.929 -3.604 1.00 51.13 H new ATOM 0 HA PHE A 61 -0.938 0.569 -2.885 1.00 40.51 H new ATOM 0 HB2 PHE A 61 -0.602 1.186 -5.160 1.00 64.21 H new ATOM 0 HB3 PHE A 61 -1.459 2.703 -4.970 1.00 64.21 H new ATOM 0 HD1 PHE A 61 1.430 1.030 -3.249 1.00 62.25 H new ATOM 0 HD2 PHE A 61 -0.091 4.555 -5.095 1.00 43.44 H new ATOM 0 HE1 PHE A 61 3.557 2.176 -2.810 1.00 12.32 H new ATOM 0 HE2 PHE A 61 2.036 5.704 -4.657 1.00 30.12 H new ATOM 0 HZ PHE A 61 3.866 4.515 -3.515 1.00 11.41 H new ATOM 969 N ALA A 62 -0.371 2.346 -1.221 1.00 51.22 N ATOM 970 CA ALA A 62 -0.173 3.265 -0.107 1.00 54.44 C ATOM 971 C ALA A 62 1.297 3.642 0.039 1.00 51.51 C ATOM 972 O ALA A 62 2.163 2.775 0.141 1.00 73.52 O ATOM 973 CB ALA A 62 -0.693 2.650 1.183 1.00 14.24 C ATOM 0 H ALA A 62 0.309 1.587 -1.267 1.00 51.22 H new ATOM 0 HA ALA A 62 -0.735 4.175 -0.315 1.00 54.44 H new ATOM 0 HB1 ALA A 62 -0.539 3.347 2.007 1.00 14.24 H new ATOM 0 HB2 ALA A 62 -1.757 2.438 1.082 1.00 14.24 H new ATOM 0 HB3 ALA A 62 -0.156 1.723 1.387 1.00 14.24 H new ATOM 979 N ASN A 63 1.572 4.943 0.048 1.00 75.14 N ATOM 980 CA ASN A 63 2.938 5.435 0.180 1.00 21.41 C ATOM 981 C ASN A 63 3.281 5.702 1.643 1.00 55.45 C ATOM 982 O ASN A 63 2.712 6.596 2.271 1.00 61.31 O ATOM 983 CB ASN A 63 3.125 6.712 -0.641 1.00 75.02 C ATOM 984 CG ASN A 63 4.559 7.203 -0.629 1.00 2.24 C ATOM 985 OD1 ASN A 63 5.147 7.409 0.433 1.00 24.42 O ATOM 986 ND2 ASN A 63 5.129 7.394 -1.813 1.00 4.34 N ATOM 0 H ASN A 63 0.866 5.675 -0.035 1.00 75.14 H new ATOM 0 HA ASN A 63 3.612 4.667 -0.199 1.00 21.41 H new ATOM 0 HB2 ASN A 63 2.816 6.528 -1.670 1.00 75.02 H new ATOM 0 HB3 ASN A 63 2.474 7.492 -0.247 1.00 75.02 H new ATOM 0 HD21 ASN A 63 6.092 7.724 -1.868 1.00 4.34 H new ATOM 0 HD22 ASN A 63 4.603 7.210 -2.668 1.00 4.34 H new ATOM 993 N PHE A 64 4.214 4.923 2.178 1.00 31.23 N ATOM 994 CA PHE A 64 4.632 5.075 3.567 1.00 44.11 C ATOM 995 C PHE A 64 5.419 6.368 3.759 1.00 2.31 C ATOM 996 O PHE A 64 6.376 6.640 3.033 1.00 15.20 O ATOM 997 CB PHE A 64 5.482 3.879 4.000 1.00 63.43 C ATOM 998 CG PHE A 64 4.794 2.980 4.987 1.00 10.32 C ATOM 999 CD1 PHE A 64 4.621 3.379 6.303 1.00 71.11 C ATOM 1000 CD2 PHE A 64 4.320 1.738 4.600 1.00 75.53 C ATOM 1001 CE1 PHE A 64 3.989 2.554 7.214 1.00 75.34 C ATOM 1002 CE2 PHE A 64 3.686 0.908 5.506 1.00 51.21 C ATOM 1003 CZ PHE A 64 3.519 1.317 6.814 1.00 4.54 C ATOM 0 H PHE A 64 4.695 4.180 1.671 1.00 31.23 H new ATOM 0 HA PHE A 64 3.737 5.119 4.187 1.00 44.11 H new ATOM 0 HB2 PHE A 64 5.753 3.298 3.119 1.00 63.43 H new ATOM 0 HB3 PHE A 64 6.411 4.244 4.439 1.00 63.43 H new ATOM 0 HD1 PHE A 64 4.984 4.345 6.620 1.00 71.11 H new ATOM 0 HD2 PHE A 64 4.447 1.414 3.578 1.00 75.53 H new ATOM 0 HE1 PHE A 64 3.862 2.875 8.237 1.00 75.34 H new ATOM 0 HE2 PHE A 64 3.322 -0.059 5.191 1.00 51.21 H new ATOM 0 HZ PHE A 64 3.022 0.672 7.523 1.00 4.54 H new ATOM 1013 N VAL A 65 5.009 7.163 4.743 1.00 50.05 N ATOM 1014 CA VAL A 65 5.675 8.428 5.032 1.00 74.43 C ATOM 1015 C VAL A 65 7.134 8.206 5.413 1.00 32.25 C ATOM 1016 O VAL A 65 7.967 9.102 5.276 1.00 54.12 O ATOM 1017 CB VAL A 65 4.967 9.187 6.170 1.00 63.21 C ATOM 1018 CG1 VAL A 65 5.754 10.431 6.551 1.00 0.45 C ATOM 1019 CG2 VAL A 65 3.546 9.548 5.766 1.00 33.52 C ATOM 0 H VAL A 65 4.219 6.953 5.353 1.00 50.05 H new ATOM 0 HA VAL A 65 5.628 9.027 4.122 1.00 74.43 H new ATOM 0 HB VAL A 65 4.917 8.536 7.043 1.00 63.21 H new ATOM 0 HG11 VAL A 65 5.239 10.955 7.356 1.00 0.45 H new ATOM 0 HG12 VAL A 65 6.751 10.143 6.885 1.00 0.45 H new ATOM 0 HG13 VAL A 65 5.837 11.088 5.685 1.00 0.45 H new ATOM 0 HG21 VAL A 65 3.061 10.084 6.582 1.00 33.52 H new ATOM 0 HG22 VAL A 65 3.570 10.181 4.879 1.00 33.52 H new ATOM 0 HG23 VAL A 65 2.988 8.638 5.547 1.00 33.52 H new ATOM 1029 N LYS A 66 7.438 7.005 5.894 1.00 71.11 N ATOM 1030 CA LYS A 66 8.797 6.662 6.295 1.00 43.42 C ATOM 1031 C LYS A 66 9.265 5.387 5.600 1.00 54.41 C ATOM 1032 O LYS A 66 8.556 4.828 4.763 1.00 55.52 O ATOM 1033 CB LYS A 66 8.874 6.486 7.813 1.00 62.10 C ATOM 1034 CG LYS A 66 9.034 7.793 8.570 1.00 60.01 C ATOM 1035 CD LYS A 66 7.692 8.460 8.821 1.00 31.54 C ATOM 1036 CE LYS A 66 6.956 7.810 9.984 1.00 43.52 C ATOM 1037 NZ LYS A 66 6.843 8.729 11.151 1.00 63.33 N ATOM 0 H LYS A 66 6.760 6.252 6.016 1.00 71.11 H new ATOM 0 HA LYS A 66 9.454 7.479 5.996 1.00 43.42 H new ATOM 0 HB2 LYS A 66 7.970 5.984 8.158 1.00 62.10 H new ATOM 0 HB3 LYS A 66 9.713 5.832 8.052 1.00 62.10 H new ATOM 0 HG2 LYS A 66 9.531 7.605 9.521 1.00 60.01 H new ATOM 0 HG3 LYS A 66 9.676 8.467 8.003 1.00 60.01 H new ATOM 0 HD2 LYS A 66 7.844 9.519 9.031 1.00 31.54 H new ATOM 0 HD3 LYS A 66 7.080 8.398 7.921 1.00 31.54 H new ATOM 0 HE2 LYS A 66 5.960 7.509 9.661 1.00 43.52 H new ATOM 0 HE3 LYS A 66 7.481 6.903 10.285 1.00 43.52 H new ATOM 0 HZ1 LYS A 66 6.336 8.250 11.922 1.00 63.33 H new ATOM 0 HZ2 LYS A 66 7.794 8.996 11.476 1.00 63.33 H new ATOM 0 HZ3 LYS A 66 6.320 9.583 10.871 1.00 63.33 H new ATOM 1051 N LYS A 67 10.461 4.931 5.953 1.00 5.21 N ATOM 1052 CA LYS A 67 11.023 3.720 5.366 1.00 1.41 C ATOM 1053 C LYS A 67 10.583 2.484 6.143 1.00 13.13 C ATOM 1054 O LYS A 67 10.840 2.370 7.341 1.00 31.33 O ATOM 1055 CB LYS A 67 12.551 3.803 5.341 1.00 61.42 C ATOM 1056 CG LYS A 67 13.080 5.139 4.849 1.00 23.23 C ATOM 1057 CD LYS A 67 12.632 5.427 3.426 1.00 25.51 C ATOM 1058 CE LYS A 67 13.274 6.696 2.886 1.00 73.52 C ATOM 1059 NZ LYS A 67 14.486 6.402 2.072 1.00 31.54 N ATOM 0 H LYS A 67 11.061 5.382 6.644 1.00 5.21 H new ATOM 0 HA LYS A 67 10.653 3.636 4.344 1.00 1.41 H new ATOM 0 HB2 LYS A 67 12.933 3.618 6.345 1.00 61.42 H new ATOM 0 HB3 LYS A 67 12.939 3.010 4.701 1.00 61.42 H new ATOM 0 HG2 LYS A 67 12.732 5.934 5.509 1.00 23.23 H new ATOM 0 HG3 LYS A 67 14.169 5.139 4.896 1.00 23.23 H new ATOM 0 HD2 LYS A 67 12.892 4.585 2.784 1.00 25.51 H new ATOM 0 HD3 LYS A 67 11.547 5.527 3.398 1.00 25.51 H new ATOM 0 HE2 LYS A 67 12.550 7.238 2.277 1.00 73.52 H new ATOM 0 HE3 LYS A 67 13.544 7.348 3.717 1.00 73.52 H new ATOM 0 HZ1 LYS A 67 14.894 7.293 1.722 1.00 31.54 H new ATOM 0 HZ2 LYS A 67 15.187 5.907 2.659 1.00 31.54 H new ATOM 0 HZ3 LYS A 67 14.225 5.801 1.265 1.00 31.54 H new ATOM 1073 N GLN A 68 9.920 1.562 5.453 1.00 31.21 N ATOM 1074 CA GLN A 68 9.445 0.334 6.080 1.00 62.20 C ATOM 1075 C GLN A 68 9.816 -0.884 5.241 1.00 62.43 C ATOM 1076 O GLN A 68 9.963 -0.791 4.022 1.00 44.15 O ATOM 1077 CB GLN A 68 7.929 0.390 6.277 1.00 63.31 C ATOM 1078 CG GLN A 68 7.471 1.549 7.147 1.00 22.01 C ATOM 1079 CD GLN A 68 6.530 1.113 8.252 1.00 30.45 C ATOM 1080 OE1 GLN A 68 5.875 0.075 8.152 1.00 21.32 O ATOM 1081 NE2 GLN A 68 6.457 1.905 9.316 1.00 64.23 N ATOM 0 H GLN A 68 9.700 1.642 4.460 1.00 31.21 H new ATOM 0 HA GLN A 68 9.927 0.243 7.053 1.00 62.20 H new ATOM 0 HB2 GLN A 68 7.447 0.466 5.302 1.00 63.31 H new ATOM 0 HB3 GLN A 68 7.595 -0.545 6.726 1.00 63.31 H new ATOM 0 HG2 GLN A 68 8.342 2.034 7.587 1.00 22.01 H new ATOM 0 HG3 GLN A 68 6.974 2.292 6.523 1.00 22.01 H new ATOM 0 HE21 GLN A 68 7.018 2.756 9.358 1.00 64.23 H new ATOM 0 HE22 GLN A 68 5.840 1.662 10.091 1.00 64.23 H new ATOM 1090 N THR A 69 9.967 -2.028 5.901 1.00 33.40 N ATOM 1091 CA THR A 69 10.322 -3.265 5.217 1.00 60.05 C ATOM 1092 C THR A 69 9.078 -4.061 4.838 1.00 23.02 C ATOM 1093 O THR A 69 7.968 -3.732 5.255 1.00 14.14 O ATOM 1094 CB THR A 69 11.237 -4.147 6.088 1.00 55.42 C ATOM 1095 OG1 THR A 69 10.475 -4.758 7.135 1.00 53.01 O ATOM 1096 CG2 THR A 69 12.367 -3.325 6.689 1.00 32.23 C ATOM 0 H THR A 69 9.849 -2.123 6.910 1.00 33.40 H new ATOM 0 HA THR A 69 10.858 -2.982 4.311 1.00 60.05 H new ATOM 0 HB THR A 69 11.670 -4.922 5.455 1.00 55.42 H new ATOM 0 HG1 THR A 69 11.063 -5.318 7.683 1.00 53.01 H new ATOM 0 HG21 THR A 69 13.000 -3.969 7.300 1.00 32.23 H new ATOM 0 HG22 THR A 69 12.962 -2.885 5.889 1.00 32.23 H new ATOM 0 HG23 THR A 69 11.950 -2.532 7.310 1.00 32.23 H new ATOM 1104 N PHE A 70 9.271 -5.110 4.046 1.00 63.40 N ATOM 1105 CA PHE A 70 8.164 -5.954 3.611 1.00 1.20 C ATOM 1106 C PHE A 70 7.490 -6.625 4.804 1.00 25.22 C ATOM 1107 O PHE A 70 6.281 -6.509 4.994 1.00 75.24 O ATOM 1108 CB PHE A 70 8.660 -7.015 2.627 1.00 71.50 C ATOM 1109 CG PHE A 70 7.742 -8.198 2.508 1.00 32.24 C ATOM 1110 CD1 PHE A 70 6.556 -8.103 1.797 1.00 25.43 C ATOM 1111 CD2 PHE A 70 8.064 -9.405 3.109 1.00 51.14 C ATOM 1112 CE1 PHE A 70 5.709 -9.190 1.686 1.00 65.02 C ATOM 1113 CE2 PHE A 70 7.221 -10.495 3.000 1.00 2.12 C ATOM 1114 CZ PHE A 70 6.042 -10.387 2.289 1.00 30.11 C ATOM 0 H PHE A 70 10.184 -5.396 3.692 1.00 63.40 H new ATOM 0 HA PHE A 70 7.431 -5.320 3.112 1.00 1.20 H new ATOM 0 HB2 PHE A 70 8.782 -6.559 1.644 1.00 71.50 H new ATOM 0 HB3 PHE A 70 9.645 -7.360 2.943 1.00 71.50 H new ATOM 0 HD1 PHE A 70 6.290 -7.169 1.324 1.00 25.43 H new ATOM 0 HD2 PHE A 70 8.983 -9.495 3.668 1.00 51.14 H new ATOM 0 HE1 PHE A 70 4.788 -9.103 1.128 1.00 65.02 H new ATOM 0 HE2 PHE A 70 7.484 -11.431 3.471 1.00 2.12 H new ATOM 0 HZ PHE A 70 5.381 -11.237 2.205 1.00 30.11 H new ATOM 1124 N ASN A 71 8.284 -7.328 5.606 1.00 61.33 N ATOM 1125 CA ASN A 71 7.765 -8.020 6.780 1.00 3.13 C ATOM 1126 C ASN A 71 7.193 -7.027 7.787 1.00 31.14 C ATOM 1127 O ASN A 71 6.176 -7.292 8.428 1.00 35.11 O ATOM 1128 CB ASN A 71 8.869 -8.851 7.437 1.00 21.04 C ATOM 1129 CG ASN A 71 8.498 -10.317 7.554 1.00 54.25 C ATOM 1130 OD1 ASN A 71 8.490 -10.882 8.647 1.00 15.23 O ATOM 1131 ND2 ASN A 71 8.188 -10.940 6.422 1.00 10.14 N ATOM 0 H ASN A 71 9.289 -7.433 5.464 1.00 61.33 H new ATOM 0 HA ASN A 71 6.964 -8.684 6.456 1.00 3.13 H new ATOM 0 HB2 ASN A 71 9.786 -8.757 6.855 1.00 21.04 H new ATOM 0 HB3 ASN A 71 9.079 -8.452 8.429 1.00 21.04 H new ATOM 0 HD21 ASN A 71 7.930 -11.927 6.437 1.00 10.14 H new ATOM 0 HD22 ASN A 71 8.208 -10.432 5.538 1.00 10.14 H new ATOM 1138 N LYS A 72 7.853 -5.882 7.922 1.00 43.02 N ATOM 1139 CA LYS A 72 7.411 -4.847 8.849 1.00 71.21 C ATOM 1140 C LYS A 72 6.079 -4.251 8.404 1.00 62.22 C ATOM 1141 O LYS A 72 5.148 -4.123 9.199 1.00 3.11 O ATOM 1142 CB LYS A 72 8.466 -3.744 8.955 1.00 53.41 C ATOM 1143 CG LYS A 72 7.992 -2.522 9.723 1.00 5.31 C ATOM 1144 CD LYS A 72 7.502 -2.892 11.113 1.00 70.03 C ATOM 1145 CE LYS A 72 7.067 -1.663 11.896 1.00 22.02 C ATOM 1146 NZ LYS A 72 8.138 -1.182 12.813 1.00 33.51 N ATOM 0 H LYS A 72 8.697 -5.647 7.400 1.00 43.02 H new ATOM 0 HA LYS A 72 7.275 -5.305 9.828 1.00 71.21 H new ATOM 0 HB2 LYS A 72 9.354 -4.147 9.442 1.00 53.41 H new ATOM 0 HB3 LYS A 72 8.764 -3.440 7.952 1.00 53.41 H new ATOM 0 HG2 LYS A 72 8.807 -1.803 9.803 1.00 5.31 H new ATOM 0 HG3 LYS A 72 7.189 -2.033 9.171 1.00 5.31 H new ATOM 0 HD2 LYS A 72 6.667 -3.588 11.032 1.00 70.03 H new ATOM 0 HD3 LYS A 72 8.295 -3.408 11.654 1.00 70.03 H new ATOM 0 HE2 LYS A 72 6.798 -0.867 11.202 1.00 22.02 H new ATOM 0 HE3 LYS A 72 6.173 -1.898 12.473 1.00 22.02 H new ATOM 0 HZ1 LYS A 72 7.803 -0.343 13.329 1.00 33.51 H new ATOM 0 HZ2 LYS A 72 8.377 -1.933 13.492 1.00 33.51 H new ATOM 0 HZ3 LYS A 72 8.983 -0.934 12.260 1.00 33.51 H new ATOM 1160 N VAL A 73 5.995 -3.890 7.127 1.00 11.34 N ATOM 1161 CA VAL A 73 4.776 -3.310 6.576 1.00 1.30 C ATOM 1162 C VAL A 73 3.574 -4.213 6.829 1.00 64.21 C ATOM 1163 O VAL A 73 2.437 -3.748 6.896 1.00 55.24 O ATOM 1164 CB VAL A 73 4.908 -3.061 5.062 1.00 61.23 C ATOM 1165 CG1 VAL A 73 3.545 -2.792 4.444 1.00 55.32 C ATOM 1166 CG2 VAL A 73 5.862 -1.907 4.793 1.00 71.02 C ATOM 0 H VAL A 73 6.756 -3.989 6.455 1.00 11.34 H new ATOM 0 HA VAL A 73 4.623 -2.357 7.082 1.00 1.30 H new ATOM 0 HB VAL A 73 5.319 -3.958 4.599 1.00 61.23 H new ATOM 0 HG11 VAL A 73 3.659 -2.618 3.374 1.00 55.32 H new ATOM 0 HG12 VAL A 73 2.896 -3.653 4.605 1.00 55.32 H new ATOM 0 HG13 VAL A 73 3.102 -1.912 4.909 1.00 55.32 H new ATOM 0 HG21 VAL A 73 5.943 -1.745 3.718 1.00 71.02 H new ATOM 0 HG22 VAL A 73 5.482 -1.003 5.269 1.00 71.02 H new ATOM 0 HG23 VAL A 73 6.845 -2.145 5.199 1.00 71.02 H new ATOM 1176 N LYS A 74 3.834 -5.509 6.970 1.00 44.44 N ATOM 1177 CA LYS A 74 2.775 -6.480 7.217 1.00 2.52 C ATOM 1178 C LYS A 74 2.098 -6.216 8.559 1.00 63.15 C ATOM 1179 O LYS A 74 1.041 -6.775 8.851 1.00 41.31 O ATOM 1180 CB LYS A 74 3.342 -7.901 7.190 1.00 15.11 C ATOM 1181 CG LYS A 74 3.682 -8.394 5.794 1.00 13.32 C ATOM 1182 CD LYS A 74 2.602 -9.313 5.249 1.00 53.12 C ATOM 1183 CE LYS A 74 3.111 -10.137 4.076 1.00 40.41 C ATOM 1184 NZ LYS A 74 2.117 -10.200 2.969 1.00 13.32 N ATOM 0 H LYS A 74 4.770 -5.911 6.917 1.00 44.44 H new ATOM 0 HA LYS A 74 2.030 -6.378 6.428 1.00 2.52 H new ATOM 0 HB2 LYS A 74 4.240 -7.937 7.807 1.00 15.11 H new ATOM 0 HB3 LYS A 74 2.618 -8.581 7.640 1.00 15.11 H new ATOM 0 HG2 LYS A 74 3.807 -7.541 5.126 1.00 13.32 H new ATOM 0 HG3 LYS A 74 4.635 -8.923 5.816 1.00 13.32 H new ATOM 0 HD2 LYS A 74 2.256 -9.979 6.040 1.00 53.12 H new ATOM 0 HD3 LYS A 74 1.744 -8.720 4.933 1.00 53.12 H new ATOM 0 HE2 LYS A 74 4.041 -9.705 3.705 1.00 40.41 H new ATOM 0 HE3 LYS A 74 3.342 -11.147 4.415 1.00 40.41 H new ATOM 0 HZ1 LYS A 74 2.615 -10.224 2.056 1.00 13.32 H new ATOM 0 HZ2 LYS A 74 1.538 -11.058 3.071 1.00 13.32 H new ATOM 0 HZ3 LYS A 74 1.503 -9.362 3.006 1.00 13.32 H new ATOM 1198 N TRP A 75 2.713 -5.362 9.368 1.00 3.04 N ATOM 1199 CA TRP A 75 2.168 -5.024 10.678 1.00 5.24 C ATOM 1200 C TRP A 75 0.892 -4.201 10.541 1.00 22.13 C ATOM 1201 O TRP A 75 0.087 -4.127 11.470 1.00 22.41 O ATOM 1202 CB TRP A 75 3.202 -4.251 11.500 1.00 62.45 C ATOM 1203 CG TRP A 75 3.287 -2.800 11.134 1.00 62.30 C ATOM 1204 CD1 TRP A 75 3.248 -2.268 9.877 1.00 65.32 C ATOM 1205 CD2 TRP A 75 3.427 -1.696 12.035 1.00 61.41 C ATOM 1206 NE1 TRP A 75 3.356 -0.900 9.942 1.00 40.11 N ATOM 1207 CE2 TRP A 75 3.466 -0.524 11.255 1.00 72.24 C ATOM 1208 CE3 TRP A 75 3.521 -1.584 13.425 1.00 43.35 C ATOM 1209 CZ2 TRP A 75 3.596 0.742 11.819 1.00 30.34 C ATOM 1210 CZ3 TRP A 75 3.651 -0.327 13.984 1.00 53.44 C ATOM 1211 CH2 TRP A 75 3.686 0.822 13.182 1.00 3.55 C ATOM 0 H TRP A 75 3.589 -4.891 9.141 1.00 3.04 H new ATOM 0 HA TRP A 75 1.925 -5.953 11.193 1.00 5.24 H new ATOM 0 HB2 TRP A 75 2.953 -4.338 12.558 1.00 62.45 H new ATOM 0 HB3 TRP A 75 4.181 -4.711 11.364 1.00 62.45 H new ATOM 0 HD1 TRP A 75 3.147 -2.839 8.966 1.00 65.32 H new ATOM 0 HE1 TRP A 75 3.355 -0.267 9.142 1.00 40.11 H new ATOM 0 HE3 TRP A 75 3.493 -2.464 14.051 1.00 43.35 H new ATOM 0 HZ2 TRP A 75 3.625 1.629 11.203 1.00 30.34 H new ATOM 0 HZ3 TRP A 75 3.727 -0.228 15.057 1.00 53.44 H new ATOM 0 HH2 TRP A 75 3.786 1.790 13.649 1.00 3.55 H new ATOM 1222 N TYR A 76 0.713 -3.584 9.379 1.00 61.55 N ATOM 1223 CA TYR A 76 -0.465 -2.765 9.121 1.00 32.04 C ATOM 1224 C TYR A 76 -1.340 -3.393 8.041 1.00 51.34 C ATOM 1225 O TYR A 76 -2.547 -3.557 8.220 1.00 35.53 O ATOM 1226 CB TYR A 76 -0.049 -1.354 8.701 1.00 33.31 C ATOM 1227 CG TYR A 76 -0.198 -0.327 9.800 1.00 1.51 C ATOM 1228 CD1 TYR A 76 -1.304 -0.334 10.640 1.00 13.24 C ATOM 1229 CD2 TYR A 76 0.769 0.651 9.999 1.00 50.53 C ATOM 1230 CE1 TYR A 76 -1.444 0.604 11.645 1.00 34.21 C ATOM 1231 CE2 TYR A 76 0.638 1.592 11.002 1.00 50.21 C ATOM 1232 CZ TYR A 76 -0.471 1.565 11.822 1.00 23.40 C ATOM 1233 OH TYR A 76 -0.606 2.499 12.823 1.00 42.43 O ATOM 0 H TYR A 76 1.369 -3.635 8.600 1.00 61.55 H new ATOM 0 HA TYR A 76 -1.044 -2.706 10.043 1.00 32.04 H new ATOM 0 HB2 TYR A 76 0.990 -1.373 8.372 1.00 33.31 H new ATOM 0 HB3 TYR A 76 -0.649 -1.047 7.844 1.00 33.31 H new ATOM 0 HD1 TYR A 76 -2.068 -1.086 10.505 1.00 13.24 H new ATOM 0 HD2 TYR A 76 1.638 0.676 9.358 1.00 50.53 H new ATOM 0 HE1 TYR A 76 -2.311 0.585 12.289 1.00 34.21 H new ATOM 0 HE2 TYR A 76 1.400 2.345 11.143 1.00 50.21 H new ATOM 0 HH TYR A 76 0.281 2.772 13.138 1.00 42.43 H new ATOM 1243 N LEU A 77 -0.722 -3.742 6.918 1.00 52.34 N ATOM 1244 CA LEU A 77 -1.443 -4.353 5.806 1.00 42.40 C ATOM 1245 C LEU A 77 -1.855 -5.782 6.144 1.00 13.41 C ATOM 1246 O LEU A 77 -2.654 -6.392 5.435 1.00 61.31 O ATOM 1247 CB LEU A 77 -0.577 -4.344 4.545 1.00 23.51 C ATOM 1248 CG LEU A 77 -0.334 -2.977 3.906 1.00 11.42 C ATOM 1249 CD1 LEU A 77 0.767 -3.063 2.861 1.00 25.24 C ATOM 1250 CD2 LEU A 77 -1.618 -2.442 3.288 1.00 45.33 C ATOM 0 H LEU A 77 0.276 -3.613 6.753 1.00 52.34 H new ATOM 0 HA LEU A 77 -2.345 -3.768 5.624 1.00 42.40 H new ATOM 0 HB2 LEU A 77 0.389 -4.785 4.789 1.00 23.51 H new ATOM 0 HB3 LEU A 77 -1.045 -4.991 3.803 1.00 23.51 H new ATOM 0 HG LEU A 77 -0.013 -2.285 4.685 1.00 11.42 H new ATOM 0 HD11 LEU A 77 0.925 -2.080 2.417 1.00 25.24 H new ATOM 0 HD12 LEU A 77 1.690 -3.402 3.332 1.00 25.24 H new ATOM 0 HD13 LEU A 77 0.476 -3.769 2.083 1.00 25.24 H new ATOM 0 HD21 LEU A 77 -1.427 -1.468 2.838 1.00 45.33 H new ATOM 0 HD22 LEU A 77 -1.969 -3.134 2.522 1.00 45.33 H new ATOM 0 HD23 LEU A 77 -2.379 -2.341 4.061 1.00 45.33 H new ATOM 1262 N GLY A 78 -1.306 -6.309 7.234 1.00 13.45 N ATOM 1263 CA GLY A 78 -1.631 -7.661 7.649 1.00 40.10 C ATOM 1264 C GLY A 78 -1.105 -8.705 6.684 1.00 23.04 C ATOM 1265 O GLY A 78 -0.913 -8.426 5.501 1.00 35.21 O ATOM 0 H GLY A 78 -0.642 -5.824 7.837 1.00 13.45 H new ATOM 0 HA2 GLY A 78 -1.215 -7.844 8.640 1.00 40.10 H new ATOM 0 HA3 GLY A 78 -2.713 -7.762 7.734 1.00 40.10 H new ATOM 1269 N ALA A 79 -0.868 -9.911 7.191 1.00 14.30 N ATOM 1270 CA ALA A 79 -0.361 -11.000 6.366 1.00 72.11 C ATOM 1271 C ALA A 79 -1.458 -11.569 5.473 1.00 54.25 C ATOM 1272 O ALA A 79 -1.182 -12.103 4.398 1.00 34.34 O ATOM 1273 CB ALA A 79 0.229 -12.095 7.242 1.00 2.00 C ATOM 0 H ALA A 79 -1.019 -10.158 8.169 1.00 14.30 H new ATOM 0 HA ALA A 79 0.424 -10.601 5.724 1.00 72.11 H new ATOM 0 HB1 ALA A 79 0.604 -12.902 6.613 1.00 2.00 H new ATOM 0 HB2 ALA A 79 1.048 -11.686 7.834 1.00 2.00 H new ATOM 0 HB3 ALA A 79 -0.542 -12.483 7.908 1.00 2.00 H new ATOM 1279 N ARG A 80 -2.703 -11.451 5.924 1.00 41.34 N ATOM 1280 CA ARG A 80 -3.841 -11.955 5.165 1.00 34.04 C ATOM 1281 C ARG A 80 -3.832 -11.407 3.741 1.00 13.35 C ATOM 1282 O ARG A 80 -4.106 -12.132 2.785 1.00 65.34 O ATOM 1283 CB ARG A 80 -5.151 -11.578 5.860 1.00 32.01 C ATOM 1284 CG ARG A 80 -5.210 -12.000 7.319 1.00 33.01 C ATOM 1285 CD ARG A 80 -6.598 -11.789 7.904 1.00 21.32 C ATOM 1286 NE ARG A 80 -7.447 -12.966 7.737 1.00 51.43 N ATOM 1287 CZ ARG A 80 -7.378 -14.039 8.516 1.00 10.13 C ATOM 1288 NH1 ARG A 80 -6.504 -14.084 9.512 1.00 11.33 N ATOM 1289 NH2 ARG A 80 -8.185 -15.070 8.301 1.00 62.14 N ATOM 0 H ARG A 80 -2.949 -11.011 6.811 1.00 41.34 H new ATOM 0 HA ARG A 80 -3.762 -13.041 5.117 1.00 34.04 H new ATOM 0 HB2 ARG A 80 -5.288 -10.499 5.797 1.00 32.01 H new ATOM 0 HB3 ARG A 80 -5.982 -12.037 5.324 1.00 32.01 H new ATOM 0 HG2 ARG A 80 -4.933 -13.051 7.407 1.00 33.01 H new ATOM 0 HG3 ARG A 80 -4.481 -11.429 7.894 1.00 33.01 H new ATOM 0 HD2 ARG A 80 -6.512 -11.551 8.964 1.00 21.32 H new ATOM 0 HD3 ARG A 80 -7.068 -10.932 7.422 1.00 21.32 H new ATOM 0 HE ARG A 80 -8.131 -12.963 6.980 1.00 51.43 H new ATOM 0 HH11 ARG A 80 -5.883 -13.293 9.681 1.00 11.33 H new ATOM 0 HH12 ARG A 80 -6.453 -14.910 10.109 1.00 11.33 H new ATOM 0 HH21 ARG A 80 -8.859 -15.039 7.536 1.00 62.14 H new ATOM 0 HH22 ARG A 80 -8.131 -15.894 8.900 1.00 62.14 H new ATOM 1303 N CYS A 81 -3.517 -10.123 3.610 1.00 71.14 N ATOM 1304 CA CYS A 81 -3.474 -9.477 2.303 1.00 43.14 C ATOM 1305 C CYS A 81 -2.059 -9.496 1.733 1.00 21.51 C ATOM 1306 O CYS A 81 -1.098 -9.142 2.417 1.00 51.21 O ATOM 1307 CB CYS A 81 -3.975 -8.036 2.406 1.00 1.32 C ATOM 1308 SG CYS A 81 -5.516 -7.855 3.335 1.00 4.12 S ATOM 0 H CYS A 81 -3.288 -9.509 4.392 1.00 71.14 H new ATOM 0 HA CYS A 81 -4.126 -10.033 1.629 1.00 43.14 H new ATOM 0 HB2 CYS A 81 -3.204 -7.428 2.879 1.00 1.32 H new ATOM 0 HB3 CYS A 81 -4.121 -7.641 1.401 1.00 1.32 H new ATOM 0 HG CYS A 81 -5.858 -6.601 3.369 1.00 4.12 H new ATOM 1314 N HIS A 82 -1.938 -9.915 0.477 1.00 2.22 N ATOM 1315 CA HIS A 82 -0.640 -9.982 -0.184 1.00 44.04 C ATOM 1316 C HIS A 82 -0.137 -8.585 -0.538 1.00 74.44 C ATOM 1317 O HIS A 82 -0.839 -7.809 -1.188 1.00 20.50 O ATOM 1318 CB HIS A 82 -0.731 -10.839 -1.447 1.00 61.12 C ATOM 1319 CG HIS A 82 0.594 -11.353 -1.919 1.00 43.14 C ATOM 1320 ND1 HIS A 82 1.308 -12.323 -1.248 1.00 72.42 N ATOM 1321 CD2 HIS A 82 1.335 -11.027 -3.005 1.00 13.34 C ATOM 1322 CE1 HIS A 82 2.430 -12.571 -1.899 1.00 45.41 C ATOM 1323 NE2 HIS A 82 2.471 -11.797 -2.969 1.00 31.10 N ATOM 0 H HIS A 82 -2.723 -10.213 -0.103 1.00 2.22 H new ATOM 0 HA HIS A 82 0.068 -10.440 0.507 1.00 44.04 H new ATOM 0 HB2 HIS A 82 -1.392 -11.684 -1.256 1.00 61.12 H new ATOM 0 HB3 HIS A 82 -1.188 -10.251 -2.243 1.00 61.12 H new ATOM 0 HD2 HIS A 82 1.080 -10.297 -3.759 1.00 13.34 H new ATOM 0 HE1 HIS A 82 3.186 -13.285 -1.606 1.00 45.41 H new ATOM 0 HE2 HIS A 82 3.224 -11.775 -3.656 1.00 31.10 H new ATOM 1331 N ILE A 83 1.080 -8.273 -0.107 1.00 13.44 N ATOM 1332 CA ILE A 83 1.675 -6.970 -0.379 1.00 32.14 C ATOM 1333 C ILE A 83 2.871 -7.097 -1.316 1.00 74.13 C ATOM 1334 O ILE A 83 3.553 -8.121 -1.332 1.00 51.10 O ATOM 1335 CB ILE A 83 2.126 -6.275 0.920 1.00 62.43 C ATOM 1336 CG1 ILE A 83 3.226 -7.089 1.604 1.00 65.54 C ATOM 1337 CG2 ILE A 83 0.943 -6.082 1.856 1.00 31.32 C ATOM 1338 CD1 ILE A 83 3.831 -6.398 2.806 1.00 70.33 C ATOM 0 H ILE A 83 1.673 -8.904 0.432 1.00 13.44 H new ATOM 0 HA ILE A 83 0.905 -6.365 -0.857 1.00 32.14 H new ATOM 0 HB ILE A 83 2.529 -5.294 0.669 1.00 62.43 H new ATOM 0 HG12 ILE A 83 2.815 -8.049 1.916 1.00 65.54 H new ATOM 0 HG13 ILE A 83 4.014 -7.299 0.881 1.00 65.54 H new ATOM 0 HG21 ILE A 83 1.278 -5.590 2.769 1.00 31.32 H new ATOM 0 HG22 ILE A 83 0.189 -5.465 1.367 1.00 31.32 H new ATOM 0 HG23 ILE A 83 0.513 -7.052 2.104 1.00 31.32 H new ATOM 0 HD11 ILE A 83 4.603 -7.033 3.240 1.00 70.33 H new ATOM 0 HD12 ILE A 83 4.272 -5.450 2.497 1.00 70.33 H new ATOM 0 HD13 ILE A 83 3.054 -6.212 3.548 1.00 70.33 H new ATOM 1350 N GLU A 84 3.119 -6.049 -2.095 1.00 50.31 N ATOM 1351 CA GLU A 84 4.234 -6.043 -3.035 1.00 73.30 C ATOM 1352 C GLU A 84 4.778 -4.630 -3.226 1.00 33.42 C ATOM 1353 O GLU A 84 4.129 -3.649 -2.864 1.00 52.51 O ATOM 1354 CB GLU A 84 3.796 -6.619 -4.383 1.00 72.42 C ATOM 1355 CG GLU A 84 4.646 -7.789 -4.851 1.00 3.53 C ATOM 1356 CD GLU A 84 5.577 -7.415 -5.988 1.00 3.22 C ATOM 1357 OE1 GLU A 84 5.079 -6.956 -7.037 1.00 22.21 O ATOM 1358 OE2 GLU A 84 6.805 -7.581 -5.828 1.00 33.13 O ATOM 0 H GLU A 84 2.563 -5.194 -2.094 1.00 50.31 H new ATOM 0 HA GLU A 84 5.027 -6.666 -2.622 1.00 73.30 H new ATOM 0 HB2 GLU A 84 2.757 -6.942 -4.310 1.00 72.42 H new ATOM 0 HB3 GLU A 84 3.833 -5.830 -5.135 1.00 72.42 H new ATOM 0 HG2 GLU A 84 5.234 -8.164 -4.013 1.00 3.53 H new ATOM 0 HG3 GLU A 84 3.994 -8.601 -5.172 1.00 3.53 H new ATOM 1365 N LYS A 85 5.974 -4.535 -3.796 1.00 70.41 N ATOM 1366 CA LYS A 85 6.607 -3.244 -4.037 1.00 21.23 C ATOM 1367 C LYS A 85 6.011 -2.566 -5.266 1.00 71.53 C ATOM 1368 O LYS A 85 5.857 -3.189 -6.316 1.00 74.42 O ATOM 1369 CB LYS A 85 8.116 -3.419 -4.219 1.00 65.22 C ATOM 1370 CG LYS A 85 8.821 -3.952 -2.984 1.00 12.05 C ATOM 1371 CD LYS A 85 10.325 -3.756 -3.071 1.00 1.31 C ATOM 1372 CE LYS A 85 10.943 -4.648 -4.137 1.00 14.02 C ATOM 1373 NZ LYS A 85 12.018 -5.515 -3.580 1.00 12.31 N ATOM 0 H LYS A 85 6.525 -5.338 -4.100 1.00 70.41 H new ATOM 0 HA LYS A 85 6.423 -2.610 -3.170 1.00 21.23 H new ATOM 0 HB2 LYS A 85 8.296 -4.099 -5.052 1.00 65.22 H new ATOM 0 HB3 LYS A 85 8.554 -2.459 -4.491 1.00 65.22 H new ATOM 0 HG2 LYS A 85 8.438 -3.445 -2.098 1.00 12.05 H new ATOM 0 HG3 LYS A 85 8.598 -5.012 -2.866 1.00 12.05 H new ATOM 0 HD2 LYS A 85 10.544 -2.712 -3.296 1.00 1.31 H new ATOM 0 HD3 LYS A 85 10.778 -3.975 -2.104 1.00 1.31 H new ATOM 0 HE2 LYS A 85 10.168 -5.272 -4.583 1.00 14.02 H new ATOM 0 HE3 LYS A 85 11.353 -4.029 -4.935 1.00 14.02 H new ATOM 0 HZ1 LYS A 85 12.414 -6.107 -4.338 1.00 12.31 H new ATOM 0 HZ2 LYS A 85 12.770 -4.920 -3.177 1.00 12.31 H new ATOM 0 HZ3 LYS A 85 11.622 -6.124 -2.836 1.00 12.31 H new ATOM 1387 N ALA A 86 5.679 -1.287 -5.129 1.00 1.14 N ATOM 1388 CA ALA A 86 5.103 -0.524 -6.229 1.00 64.44 C ATOM 1389 C ALA A 86 6.194 0.082 -7.107 1.00 34.44 C ATOM 1390 O ALA A 86 7.331 0.257 -6.670 1.00 22.44 O ATOM 1391 CB ALA A 86 4.187 0.566 -5.694 1.00 4.13 C ATOM 0 H ALA A 86 5.799 -0.757 -4.266 1.00 1.14 H new ATOM 0 HA ALA A 86 4.516 -1.207 -6.843 1.00 64.44 H new ATOM 0 HB1 ALA A 86 3.764 1.127 -6.527 1.00 4.13 H new ATOM 0 HB2 ALA A 86 3.382 0.113 -5.116 1.00 4.13 H new ATOM 0 HB3 ALA A 86 4.758 1.240 -5.055 1.00 4.13 H new ATOM 1397 N LYS A 87 5.840 0.400 -8.347 1.00 74.32 N ATOM 1398 CA LYS A 87 6.787 0.987 -9.287 1.00 61.21 C ATOM 1399 C LYS A 87 6.111 2.046 -10.152 1.00 34.24 C ATOM 1400 O LYS A 87 4.941 1.915 -10.509 1.00 33.30 O ATOM 1401 CB LYS A 87 7.395 -0.100 -10.176 1.00 63.31 C ATOM 1402 CG LYS A 87 6.442 -0.621 -11.238 1.00 23.32 C ATOM 1403 CD LYS A 87 6.429 -2.140 -11.278 1.00 34.21 C ATOM 1404 CE LYS A 87 5.167 -2.669 -11.944 1.00 4.14 C ATOM 1405 NZ LYS A 87 5.480 -3.578 -13.081 1.00 52.42 N ATOM 0 H LYS A 87 4.903 0.261 -8.725 1.00 74.32 H new ATOM 0 HA LYS A 87 7.581 1.465 -8.713 1.00 61.21 H new ATOM 0 HB2 LYS A 87 8.286 0.297 -10.663 1.00 63.31 H new ATOM 0 HB3 LYS A 87 7.717 -0.932 -9.550 1.00 63.31 H new ATOM 0 HG2 LYS A 87 5.436 -0.253 -11.038 1.00 23.32 H new ATOM 0 HG3 LYS A 87 6.735 -0.233 -12.213 1.00 23.32 H new ATOM 0 HD2 LYS A 87 7.305 -2.498 -11.819 1.00 34.21 H new ATOM 0 HD3 LYS A 87 6.498 -2.532 -10.263 1.00 34.21 H new ATOM 0 HE2 LYS A 87 4.564 -3.202 -11.209 1.00 4.14 H new ATOM 0 HE3 LYS A 87 4.567 -1.832 -12.302 1.00 4.14 H new ATOM 0 HZ1 LYS A 87 4.595 -3.917 -13.508 1.00 52.42 H new ATOM 0 HZ2 LYS A 87 6.034 -3.063 -13.795 1.00 52.42 H new ATOM 0 HZ3 LYS A 87 6.031 -4.390 -12.735 1.00 52.42 H new ATOM 1419 N GLY A 88 6.856 3.095 -10.486 1.00 13.32 N ATOM 1420 CA GLY A 88 6.311 4.161 -11.307 1.00 72.50 C ATOM 1421 C GLY A 88 6.126 5.452 -10.534 1.00 62.55 C ATOM 1422 O GLY A 88 6.778 5.672 -9.513 1.00 13.01 O ATOM 0 H GLY A 88 7.827 3.226 -10.203 1.00 13.32 H new ATOM 0 HA2 GLY A 88 6.975 4.340 -12.153 1.00 72.50 H new ATOM 0 HA3 GLY A 88 5.351 3.846 -11.716 1.00 72.50 H new ATOM 1426 N THR A 89 5.236 6.310 -11.023 1.00 62.21 N ATOM 1427 CA THR A 89 4.970 7.587 -10.374 1.00 13.12 C ATOM 1428 C THR A 89 3.602 7.587 -9.700 1.00 60.35 C ATOM 1429 O THR A 89 2.832 6.637 -9.839 1.00 75.42 O ATOM 1430 CB THR A 89 5.034 8.753 -11.379 1.00 22.42 C ATOM 1431 OG1 THR A 89 3.868 8.748 -12.210 1.00 63.32 O ATOM 1432 CG2 THR A 89 6.281 8.652 -12.245 1.00 0.14 C ATOM 0 H THR A 89 4.687 6.143 -11.867 1.00 62.21 H new ATOM 0 HA THR A 89 5.744 7.725 -9.619 1.00 13.12 H new ATOM 0 HB THR A 89 5.075 9.686 -10.818 1.00 22.42 H new ATOM 0 HG1 THR A 89 3.916 9.493 -12.845 1.00 63.32 H new ATOM 0 HG21 THR A 89 6.305 9.486 -12.947 1.00 0.14 H new ATOM 0 HG22 THR A 89 7.167 8.685 -11.612 1.00 0.14 H new ATOM 0 HG23 THR A 89 6.265 7.713 -12.798 1.00 0.14 H new ATOM 1440 N ASP A 90 3.306 8.657 -8.972 1.00 4.41 N ATOM 1441 CA ASP A 90 2.030 8.781 -8.278 1.00 53.40 C ATOM 1442 C ASP A 90 0.866 8.660 -9.256 1.00 55.24 C ATOM 1443 O ASP A 90 -0.150 8.034 -8.952 1.00 44.44 O ATOM 1444 CB ASP A 90 1.954 10.118 -7.539 1.00 42.42 C ATOM 1445 CG ASP A 90 0.635 10.307 -6.817 1.00 32.13 C ATOM 1446 OD1 ASP A 90 -0.346 10.723 -7.470 1.00 24.45 O ATOM 1447 OD2 ASP A 90 0.582 10.038 -5.599 1.00 23.15 O ATOM 0 H ASP A 90 3.933 9.452 -8.847 1.00 4.41 H new ATOM 0 HA ASP A 90 1.959 7.970 -7.553 1.00 53.40 H new ATOM 0 HB2 ASP A 90 2.770 10.179 -6.819 1.00 42.42 H new ATOM 0 HB3 ASP A 90 2.095 10.932 -8.251 1.00 42.42 H new ATOM 1452 N GLN A 91 1.020 9.264 -10.430 1.00 64.23 N ATOM 1453 CA GLN A 91 -0.019 9.225 -11.452 1.00 31.40 C ATOM 1454 C GLN A 91 -0.231 7.802 -11.959 1.00 65.11 C ATOM 1455 O GLN A 91 -1.354 7.403 -12.265 1.00 1.13 O ATOM 1456 CB GLN A 91 0.347 10.145 -12.618 1.00 11.04 C ATOM 1457 CG GLN A 91 -0.149 11.572 -12.445 1.00 71.42 C ATOM 1458 CD GLN A 91 -1.367 11.873 -13.296 1.00 61.04 C ATOM 1459 OE1 GLN A 91 -1.262 12.047 -14.511 1.00 32.51 O ATOM 1460 NE2 GLN A 91 -2.532 11.937 -12.662 1.00 62.41 N ATOM 0 H GLN A 91 1.855 9.786 -10.697 1.00 64.23 H new ATOM 0 HA GLN A 91 -0.949 9.573 -11.002 1.00 31.40 H new ATOM 0 HB2 GLN A 91 1.431 10.157 -12.734 1.00 11.04 H new ATOM 0 HB3 GLN A 91 -0.068 9.734 -13.538 1.00 11.04 H new ATOM 0 HG2 GLN A 91 -0.392 11.744 -11.396 1.00 71.42 H new ATOM 0 HG3 GLN A 91 0.651 12.265 -12.705 1.00 71.42 H new ATOM 0 HE21 GLN A 91 -2.573 11.786 -11.654 1.00 62.41 H new ATOM 0 HE22 GLN A 91 -3.386 12.137 -13.183 1.00 62.41 H new ATOM 1469 N GLN A 92 0.857 7.042 -12.046 1.00 14.20 N ATOM 1470 CA GLN A 92 0.789 5.664 -12.517 1.00 42.03 C ATOM 1471 C GLN A 92 0.059 4.780 -11.512 1.00 21.22 C ATOM 1472 O GLN A 92 -0.688 3.879 -11.891 1.00 21.24 O ATOM 1473 CB GLN A 92 2.196 5.119 -12.767 1.00 25.44 C ATOM 1474 CG GLN A 92 2.683 5.319 -14.193 1.00 11.12 C ATOM 1475 CD GLN A 92 3.411 4.106 -14.737 1.00 75.32 C ATOM 1476 OE1 GLN A 92 2.787 3.149 -15.198 1.00 24.33 O ATOM 1477 NE2 GLN A 92 4.737 4.139 -14.688 1.00 1.04 N ATOM 0 H GLN A 92 1.794 7.357 -11.797 1.00 14.20 H new ATOM 0 HA GLN A 92 0.231 5.654 -13.453 1.00 42.03 H new ATOM 0 HB2 GLN A 92 2.892 5.605 -12.083 1.00 25.44 H new ATOM 0 HB3 GLN A 92 2.211 4.055 -12.533 1.00 25.44 H new ATOM 0 HG2 GLN A 92 1.832 5.545 -14.835 1.00 11.12 H new ATOM 0 HG3 GLN A 92 3.347 6.183 -14.228 1.00 11.12 H new ATOM 0 HE21 GLN A 92 5.213 4.952 -14.298 1.00 1.04 H new ATOM 0 HE22 GLN A 92 5.280 3.351 -15.041 1.00 1.04 H new ATOM 1486 N ASN A 93 0.281 5.044 -10.228 1.00 41.02 N ATOM 1487 CA ASN A 93 -0.355 4.271 -9.168 1.00 12.23 C ATOM 1488 C ASN A 93 -1.797 4.722 -8.957 1.00 35.13 C ATOM 1489 O ASN A 93 -2.690 3.903 -8.738 1.00 32.33 O ATOM 1490 CB ASN A 93 0.431 4.413 -7.863 1.00 21.31 C ATOM 1491 CG ASN A 93 1.697 3.578 -7.857 1.00 70.42 C ATOM 1492 OD1 ASN A 93 1.955 2.828 -6.915 1.00 42.04 O ATOM 1493 ND2 ASN A 93 2.494 3.704 -8.912 1.00 53.01 N ATOM 0 H ASN A 93 0.896 5.787 -9.897 1.00 41.02 H new ATOM 0 HA ASN A 93 -0.360 3.223 -9.469 1.00 12.23 H new ATOM 0 HB2 ASN A 93 0.689 5.461 -7.710 1.00 21.31 H new ATOM 0 HB3 ASN A 93 -0.202 4.115 -7.027 1.00 21.31 H new ATOM 0 HD21 ASN A 93 3.360 3.167 -8.964 1.00 53.01 H new ATOM 0 HD22 ASN A 93 2.240 4.338 -9.670 1.00 53.01 H new ATOM 1500 N LYS A 94 -2.019 6.030 -9.025 1.00 4.32 N ATOM 1501 CA LYS A 94 -3.352 6.592 -8.843 1.00 60.25 C ATOM 1502 C LYS A 94 -4.308 6.082 -9.918 1.00 3.15 C ATOM 1503 O LYS A 94 -5.424 5.661 -9.618 1.00 32.15 O ATOM 1504 CB LYS A 94 -3.293 8.121 -8.882 1.00 35.43 C ATOM 1505 CG LYS A 94 -4.617 8.788 -8.550 1.00 3.41 C ATOM 1506 CD LYS A 94 -4.462 10.293 -8.409 1.00 41.42 C ATOM 1507 CE LYS A 94 -5.812 10.993 -8.383 1.00 74.40 C ATOM 1508 NZ LYS A 94 -6.027 11.737 -7.111 1.00 72.22 N ATOM 0 H LYS A 94 -1.292 6.722 -9.205 1.00 4.32 H new ATOM 0 HA LYS A 94 -3.724 6.274 -7.869 1.00 60.25 H new ATOM 0 HB2 LYS A 94 -2.535 8.465 -8.178 1.00 35.43 H new ATOM 0 HB3 LYS A 94 -2.974 8.439 -9.875 1.00 35.43 H new ATOM 0 HG2 LYS A 94 -5.343 8.568 -9.333 1.00 3.41 H new ATOM 0 HG3 LYS A 94 -5.012 8.373 -7.623 1.00 3.41 H new ATOM 0 HD2 LYS A 94 -3.916 10.519 -7.493 1.00 41.42 H new ATOM 0 HD3 LYS A 94 -3.868 10.678 -9.238 1.00 41.42 H new ATOM 0 HE2 LYS A 94 -5.879 11.684 -9.223 1.00 74.40 H new ATOM 0 HE3 LYS A 94 -6.605 10.257 -8.512 1.00 74.40 H new ATOM 0 HZ1 LYS A 94 -6.958 12.200 -7.133 1.00 72.22 H new ATOM 0 HZ2 LYS A 94 -5.988 11.074 -6.310 1.00 72.22 H new ATOM 0 HZ3 LYS A 94 -5.285 12.457 -7.000 1.00 72.22 H new ATOM 1522 N GLU A 95 -3.860 6.122 -11.169 1.00 15.42 N ATOM 1523 CA GLU A 95 -4.677 5.664 -12.286 1.00 71.43 C ATOM 1524 C GLU A 95 -4.820 4.144 -12.268 1.00 11.40 C ATOM 1525 O GLU A 95 -5.869 3.604 -12.619 1.00 53.45 O ATOM 1526 CB GLU A 95 -4.063 6.113 -13.614 1.00 13.12 C ATOM 1527 CG GLU A 95 -4.380 7.555 -13.973 1.00 45.13 C ATOM 1528 CD GLU A 95 -4.949 7.696 -15.372 1.00 2.34 C ATOM 1529 OE1 GLU A 95 -5.938 6.999 -15.682 1.00 43.41 O ATOM 1530 OE2 GLU A 95 -4.406 8.503 -16.155 1.00 71.12 O ATOM 0 H GLU A 95 -2.937 6.466 -11.434 1.00 15.42 H new ATOM 0 HA GLU A 95 -5.668 6.107 -12.184 1.00 71.43 H new ATOM 0 HB2 GLU A 95 -2.981 5.989 -13.565 1.00 13.12 H new ATOM 0 HB3 GLU A 95 -4.423 5.461 -14.410 1.00 13.12 H new ATOM 0 HG2 GLU A 95 -5.093 7.957 -13.253 1.00 45.13 H new ATOM 0 HG3 GLU A 95 -3.473 8.154 -13.892 1.00 45.13 H new ATOM 1537 N TYR A 96 -3.758 3.461 -11.856 1.00 42.35 N ATOM 1538 CA TYR A 96 -3.763 2.005 -11.795 1.00 23.51 C ATOM 1539 C TYR A 96 -4.904 1.500 -10.917 1.00 2.23 C ATOM 1540 O TYR A 96 -5.653 0.604 -11.307 1.00 53.33 O ATOM 1541 CB TYR A 96 -2.426 1.491 -11.258 1.00 3.34 C ATOM 1542 CG TYR A 96 -2.370 -0.012 -11.109 1.00 21.31 C ATOM 1543 CD1 TYR A 96 -1.970 -0.821 -12.166 1.00 14.50 C ATOM 1544 CD2 TYR A 96 -2.716 -0.625 -9.910 1.00 42.35 C ATOM 1545 CE1 TYR A 96 -1.919 -2.195 -12.035 1.00 3.34 C ATOM 1546 CE2 TYR A 96 -2.666 -1.998 -9.770 1.00 23.14 C ATOM 1547 CZ TYR A 96 -2.267 -2.779 -10.835 1.00 11.34 C ATOM 1548 OH TYR A 96 -2.216 -4.147 -10.699 1.00 65.23 O ATOM 0 H TYR A 96 -2.883 3.893 -11.559 1.00 42.35 H new ATOM 0 HA TYR A 96 -3.911 1.625 -12.806 1.00 23.51 H new ATOM 0 HB2 TYR A 96 -1.628 1.811 -11.928 1.00 3.34 H new ATOM 0 HB3 TYR A 96 -2.232 1.951 -10.289 1.00 3.34 H new ATOM 0 HD1 TYR A 96 -1.694 -0.367 -13.106 1.00 14.50 H new ATOM 0 HD2 TYR A 96 -3.029 -0.017 -9.074 1.00 42.35 H new ATOM 0 HE1 TYR A 96 -1.608 -2.809 -12.868 1.00 3.34 H new ATOM 0 HE2 TYR A 96 -2.938 -2.458 -8.831 1.00 23.14 H new ATOM 0 HH TYR A 96 -2.491 -4.396 -9.792 1.00 65.23 H new ATOM 1558 N CYS A 97 -5.029 2.082 -9.729 1.00 53.44 N ATOM 1559 CA CYS A 97 -6.079 1.693 -8.794 1.00 43.10 C ATOM 1560 C CYS A 97 -7.453 2.091 -9.322 1.00 41.43 C ATOM 1561 O CYS A 97 -8.440 1.388 -9.107 1.00 23.24 O ATOM 1562 CB CYS A 97 -5.838 2.337 -7.428 1.00 44.20 C ATOM 1563 SG CYS A 97 -4.199 2.011 -6.737 1.00 30.12 S ATOM 0 H CYS A 97 -4.417 2.824 -9.391 1.00 53.44 H new ATOM 0 HA CYS A 97 -6.052 0.609 -8.687 1.00 43.10 H new ATOM 0 HB2 CYS A 97 -5.975 3.415 -7.517 1.00 44.20 H new ATOM 0 HB3 CYS A 97 -6.593 1.976 -6.730 1.00 44.20 H new ATOM 0 HG CYS A 97 -3.310 2.707 -7.382 1.00 30.12 H new ATOM 1569 N SER A 98 -7.510 3.225 -10.014 1.00 4.12 N ATOM 1570 CA SER A 98 -8.764 3.720 -10.568 1.00 51.33 C ATOM 1571 C SER A 98 -9.143 2.948 -11.828 1.00 55.12 C ATOM 1572 O SER A 98 -10.268 3.050 -12.318 1.00 73.14 O ATOM 1573 CB SER A 98 -8.652 5.213 -10.886 1.00 30.35 C ATOM 1574 OG SER A 98 -9.842 5.698 -11.484 1.00 24.33 O ATOM 0 H SER A 98 -6.702 3.818 -10.204 1.00 4.12 H new ATOM 0 HA SER A 98 -9.545 3.572 -9.823 1.00 51.33 H new ATOM 0 HB2 SER A 98 -8.449 5.769 -9.971 1.00 30.35 H new ATOM 0 HB3 SER A 98 -7.809 5.383 -11.556 1.00 30.35 H new ATOM 0 HG SER A 98 -10.388 4.942 -11.785 1.00 24.33 H new ATOM 1580 N LYS A 99 -8.196 2.175 -12.348 1.00 52.04 N ATOM 1581 CA LYS A 99 -8.429 1.383 -13.551 1.00 4.35 C ATOM 1582 C LYS A 99 -9.621 0.450 -13.366 1.00 12.45 C ATOM 1583 O LYS A 99 -10.253 0.037 -14.337 1.00 14.40 O ATOM 1584 CB LYS A 99 -7.180 0.570 -13.899 1.00 73.53 C ATOM 1585 CG LYS A 99 -7.336 -0.276 -15.151 1.00 61.51 C ATOM 1586 CD LYS A 99 -7.172 -1.756 -14.848 1.00 34.41 C ATOM 1587 CE LYS A 99 -5.789 -2.063 -14.296 1.00 3.44 C ATOM 1588 NZ LYS A 99 -5.154 -3.214 -14.995 1.00 75.03 N ATOM 0 H LYS A 99 -7.259 2.080 -11.956 1.00 52.04 H new ATOM 0 HA LYS A 99 -8.650 2.067 -14.370 1.00 4.35 H new ATOM 0 HB2 LYS A 99 -6.339 1.250 -14.033 1.00 73.53 H new ATOM 0 HB3 LYS A 99 -6.934 -0.080 -13.059 1.00 73.53 H new ATOM 0 HG2 LYS A 99 -8.318 -0.100 -15.590 1.00 61.51 H new ATOM 0 HG3 LYS A 99 -6.597 0.029 -15.892 1.00 61.51 H new ATOM 0 HD2 LYS A 99 -7.929 -2.067 -14.128 1.00 34.41 H new ATOM 0 HD3 LYS A 99 -7.339 -2.335 -15.756 1.00 34.41 H new ATOM 0 HE2 LYS A 99 -5.154 -1.182 -14.397 1.00 3.44 H new ATOM 0 HE3 LYS A 99 -5.864 -2.282 -13.231 1.00 3.44 H new ATOM 0 HZ1 LYS A 99 -4.213 -3.391 -14.589 1.00 75.03 H new ATOM 0 HZ2 LYS A 99 -5.746 -4.061 -14.878 1.00 75.03 H new ATOM 0 HZ3 LYS A 99 -5.059 -2.996 -16.007 1.00 75.03 H new ATOM 1602 N GLU A 100 -9.923 0.124 -12.113 1.00 0.34 N ATOM 1603 CA GLU A 100 -11.041 -0.759 -11.802 1.00 64.31 C ATOM 1604 C GLU A 100 -12.373 -0.048 -12.019 1.00 11.12 C ATOM 1605 O GLU A 100 -13.410 -0.687 -12.192 1.00 63.40 O ATOM 1606 CB GLU A 100 -10.943 -1.253 -10.357 1.00 62.42 C ATOM 1607 CG GLU A 100 -9.635 -1.960 -10.043 1.00 3.33 C ATOM 1608 CD GLU A 100 -9.271 -1.886 -8.572 1.00 60.34 C ATOM 1609 OE1 GLU A 100 -9.905 -2.599 -7.767 1.00 75.34 O ATOM 1610 OE2 GLU A 100 -8.351 -1.115 -8.227 1.00 61.44 O ATOM 0 H GLU A 100 -9.409 0.458 -11.297 1.00 0.34 H new ATOM 0 HA GLU A 100 -10.992 -1.615 -12.475 1.00 64.31 H new ATOM 0 HB2 GLU A 100 -11.058 -0.404 -9.683 1.00 62.42 H new ATOM 0 HB3 GLU A 100 -11.771 -1.933 -10.157 1.00 62.42 H new ATOM 0 HG2 GLU A 100 -9.710 -3.005 -10.343 1.00 3.33 H new ATOM 0 HG3 GLU A 100 -8.835 -1.515 -10.634 1.00 3.33 H new ATOM 1617 N GLY A 101 -12.337 1.281 -12.007 1.00 3.21 N ATOM 1618 CA GLY A 101 -13.547 2.058 -12.202 1.00 44.33 C ATOM 1619 C GLY A 101 -14.250 2.374 -10.897 1.00 73.52 C ATOM 1620 O GLY A 101 -15.168 3.192 -10.861 1.00 71.23 O ATOM 0 H GLY A 101 -11.491 1.833 -11.866 1.00 3.21 H new ATOM 0 HA2 GLY A 101 -13.299 2.989 -12.712 1.00 44.33 H new ATOM 0 HA3 GLY A 101 -14.227 1.509 -12.853 1.00 44.33 H new ATOM 1624 N ASN A 102 -13.820 1.721 -9.822 1.00 52.02 N ATOM 1625 CA ASN A 102 -14.417 1.935 -8.509 1.00 32.42 C ATOM 1626 C ASN A 102 -13.339 2.096 -7.441 1.00 53.42 C ATOM 1627 O ASN A 102 -12.483 1.227 -7.271 1.00 14.24 O ATOM 1628 CB ASN A 102 -15.337 0.767 -8.148 1.00 32.33 C ATOM 1629 CG ASN A 102 -16.483 1.190 -7.248 1.00 64.33 C ATOM 1630 OD1 ASN A 102 -17.231 2.113 -7.570 1.00 62.20 O ATOM 1631 ND2 ASN A 102 -16.624 0.514 -6.114 1.00 12.33 N ATOM 0 H ASN A 102 -13.061 1.040 -9.834 1.00 52.02 H new ATOM 0 HA ASN A 102 -15.004 2.853 -8.549 1.00 32.42 H new ATOM 0 HB2 ASN A 102 -15.739 0.329 -9.062 1.00 32.33 H new ATOM 0 HB3 ASN A 102 -14.756 -0.010 -7.651 1.00 32.33 H new ATOM 0 HD21 ASN A 102 -17.377 0.753 -5.468 1.00 12.33 H new ATOM 0 HD22 ASN A 102 -15.980 -0.244 -5.889 1.00 12.33 H new ATOM 1638 N LEU A 103 -13.388 3.214 -6.725 1.00 25.15 N ATOM 1639 CA LEU A 103 -12.416 3.490 -5.672 1.00 42.41 C ATOM 1640 C LEU A 103 -12.995 3.170 -4.298 1.00 55.30 C ATOM 1641 O LEU A 103 -14.095 3.610 -3.958 1.00 42.12 O ATOM 1642 CB LEU A 103 -11.980 4.956 -5.726 1.00 23.44 C ATOM 1643 CG LEU A 103 -11.354 5.422 -7.041 1.00 15.23 C ATOM 1644 CD1 LEU A 103 -10.785 6.825 -6.893 1.00 20.40 C ATOM 1645 CD2 LEU A 103 -10.274 4.451 -7.492 1.00 22.52 C ATOM 0 H LEU A 103 -14.089 3.943 -6.854 1.00 25.15 H new ATOM 0 HA LEU A 103 -11.548 2.852 -5.837 1.00 42.41 H new ATOM 0 HB2 LEU A 103 -12.849 5.581 -5.519 1.00 23.44 H new ATOM 0 HB3 LEU A 103 -11.263 5.131 -4.924 1.00 23.44 H new ATOM 0 HG LEU A 103 -12.133 5.446 -7.803 1.00 15.23 H new ATOM 0 HD11 LEU A 103 -10.344 7.140 -7.838 1.00 20.40 H new ATOM 0 HD12 LEU A 103 -11.583 7.514 -6.618 1.00 20.40 H new ATOM 0 HD13 LEU A 103 -10.020 6.827 -6.117 1.00 20.40 H new ATOM 0 HD21 LEU A 103 -9.840 4.799 -8.429 1.00 22.52 H new ATOM 0 HD22 LEU A 103 -9.496 4.393 -6.731 1.00 22.52 H new ATOM 0 HD23 LEU A 103 -10.711 3.463 -7.639 1.00 22.52 H new ATOM 1657 N LEU A 104 -12.249 2.404 -3.511 1.00 22.13 N ATOM 1658 CA LEU A 104 -12.687 2.026 -2.171 1.00 52.55 C ATOM 1659 C LEU A 104 -12.287 3.085 -1.149 1.00 54.40 C ATOM 1660 O LEU A 104 -12.917 3.219 -0.100 1.00 74.43 O ATOM 1661 CB LEU A 104 -12.091 0.673 -1.781 1.00 2.12 C ATOM 1662 CG LEU A 104 -12.261 0.262 -0.318 1.00 72.30 C ATOM 1663 CD1 LEU A 104 -13.731 0.271 0.071 1.00 12.35 C ATOM 1664 CD2 LEU A 104 -11.652 -1.112 -0.076 1.00 14.21 C ATOM 0 H LEU A 104 -11.337 2.032 -3.777 1.00 22.13 H new ATOM 0 HA LEU A 104 -13.774 1.948 -2.179 1.00 52.55 H new ATOM 0 HB2 LEU A 104 -12.543 -0.095 -2.408 1.00 2.12 H new ATOM 0 HB3 LEU A 104 -11.026 0.687 -2.012 1.00 2.12 H new ATOM 0 HG LEU A 104 -11.736 0.985 0.306 1.00 72.30 H new ATOM 0 HD11 LEU A 104 -13.833 -0.024 1.115 1.00 12.35 H new ATOM 0 HD12 LEU A 104 -14.137 1.274 -0.064 1.00 12.35 H new ATOM 0 HD13 LEU A 104 -14.278 -0.430 -0.559 1.00 12.35 H new ATOM 0 HD21 LEU A 104 -11.782 -1.388 0.970 1.00 14.21 H new ATOM 0 HD22 LEU A 104 -12.148 -1.847 -0.710 1.00 14.21 H new ATOM 0 HD23 LEU A 104 -10.589 -1.086 -0.315 1.00 14.21 H new ATOM 1676 N MET A 105 -11.238 3.837 -1.463 1.00 43.53 N ATOM 1677 CA MET A 105 -10.756 4.887 -0.573 1.00 53.40 C ATOM 1678 C MET A 105 -9.907 5.900 -1.335 1.00 72.33 C ATOM 1679 O MET A 105 -9.071 5.527 -2.158 1.00 34.02 O ATOM 1680 CB MET A 105 -9.943 4.281 0.572 1.00 3.31 C ATOM 1681 CG MET A 105 -8.989 5.267 1.228 1.00 33.32 C ATOM 1682 SD MET A 105 -8.822 4.995 3.003 1.00 61.42 S ATOM 1683 CE MET A 105 -7.372 3.944 3.049 1.00 72.21 C ATOM 0 H MET A 105 -10.705 3.739 -2.327 1.00 43.53 H new ATOM 0 HA MET A 105 -11.622 5.404 -0.160 1.00 53.40 H new ATOM 0 HB2 MET A 105 -10.627 3.893 1.327 1.00 3.31 H new ATOM 0 HB3 MET A 105 -9.372 3.433 0.193 1.00 3.31 H new ATOM 0 HG2 MET A 105 -8.009 5.186 0.758 1.00 33.32 H new ATOM 0 HG3 MET A 105 -9.344 6.282 1.052 1.00 33.32 H new ATOM 0 HE1 MET A 105 -6.973 3.919 4.063 1.00 72.21 H new ATOM 0 HE2 MET A 105 -7.645 2.934 2.742 1.00 72.21 H new ATOM 0 HE3 MET A 105 -6.615 4.338 2.371 1.00 72.21 H new ATOM 1693 N GLU A 106 -10.128 7.181 -1.056 1.00 72.52 N ATOM 1694 CA GLU A 106 -9.383 8.245 -1.718 1.00 12.35 C ATOM 1695 C GLU A 106 -8.878 9.267 -0.703 1.00 10.11 C ATOM 1696 O GLU A 106 -9.649 10.076 -0.184 1.00 64.04 O ATOM 1697 CB GLU A 106 -10.260 8.938 -2.763 1.00 1.44 C ATOM 1698 CG GLU A 106 -9.528 10.004 -3.561 1.00 61.33 C ATOM 1699 CD GLU A 106 -10.377 11.236 -3.806 1.00 73.23 C ATOM 1700 OE1 GLU A 106 -11.136 11.247 -4.798 1.00 31.52 O ATOM 1701 OE2 GLU A 106 -10.283 12.189 -3.005 1.00 42.53 O ATOM 0 H GLU A 106 -10.816 7.506 -0.377 1.00 72.52 H new ATOM 0 HA GLU A 106 -8.523 7.797 -2.216 1.00 12.35 H new ATOM 0 HB2 GLU A 106 -10.654 8.188 -3.449 1.00 1.44 H new ATOM 0 HB3 GLU A 106 -11.115 9.393 -2.263 1.00 1.44 H new ATOM 0 HG2 GLU A 106 -8.621 10.292 -3.029 1.00 61.33 H new ATOM 0 HG3 GLU A 106 -9.216 9.586 -4.518 1.00 61.33 H new ATOM 1708 N CYS A 107 -7.580 9.223 -0.425 1.00 0.54 N ATOM 1709 CA CYS A 107 -6.971 10.144 0.529 1.00 11.10 C ATOM 1710 C CYS A 107 -5.494 10.357 0.213 1.00 73.44 C ATOM 1711 O CYS A 107 -4.955 9.755 -0.715 1.00 23.42 O ATOM 1712 CB CYS A 107 -7.128 9.613 1.954 1.00 34.34 C ATOM 1713 SG CYS A 107 -8.674 10.099 2.757 1.00 4.54 S ATOM 0 H CYS A 107 -6.929 8.560 -0.846 1.00 0.54 H new ATOM 0 HA CYS A 107 -7.483 11.103 0.448 1.00 11.10 H new ATOM 0 HB2 CYS A 107 -7.068 8.525 1.933 1.00 34.34 H new ATOM 0 HB3 CYS A 107 -6.291 9.967 2.556 1.00 34.34 H new ATOM 0 HG CYS A 107 -9.614 10.198 1.865 1.00 4.54 H new ATOM 1719 N GLY A 108 -4.846 11.219 0.990 1.00 62.04 N ATOM 1720 CA GLY A 108 -3.438 11.497 0.775 1.00 3.21 C ATOM 1721 C GLY A 108 -3.214 12.629 -0.208 1.00 64.34 C ATOM 1722 O GLY A 108 -4.168 13.199 -0.736 1.00 43.32 O ATOM 0 H GLY A 108 -5.271 11.730 1.764 1.00 62.04 H new ATOM 0 HA2 GLY A 108 -2.971 11.749 1.727 1.00 3.21 H new ATOM 0 HA3 GLY A 108 -2.945 10.597 0.407 1.00 3.21 H new