USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 789 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 73 THR OG1 : rot 180:sc= -0.0659 USER MOD Set 1.2: A 89 LYS NZ :NH3+ -140:sc= -4.6! (180deg=-5.71!) USER MOD Single : A 13 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.57) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -130:sc= 2.4 (180deg=-0.583) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.48) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 171:sc= -0.0194 (180deg=-0.164) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.65 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 105:sc= 1.24 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -110:sc= 0.419 (180deg=-0.13) USER MOD Single : A 62 TYR OH : rot -78:sc= 0.931 USER MOD Single : A 63 ASN : amide:sc= -0.0181 K(o=-0.018,f=-0.88) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-0.085) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.987 K(o=-0.99,f=-2.5!) USER MOD Single : A 79 GLN : amide:sc= -3.57! K(o=-3.6!,f=-0.85) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 178:sc= 1.13 (180deg=1.08) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 175:sc= 1.27 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 10.575 -2.573 5.864 1.00 3.85 N ATOM 109 CA ARG A 9 9.911 -2.178 4.637 1.00 3.14 C ATOM 110 C ARG A 9 9.832 -0.663 4.586 1.00 2.98 C ATOM 111 O ARG A 9 9.030 -0.104 3.851 1.00 3.23 O ATOM 112 CB ARG A 9 8.509 -2.760 4.577 1.00 2.97 C ATOM 113 CG ARG A 9 8.488 -4.262 4.690 1.00 3.11 C ATOM 114 CD ARG A 9 9.276 -4.906 3.555 1.00 3.35 C ATOM 115 NE ARG A 9 9.278 -6.368 3.648 1.00 3.78 N ATOM 116 CZ ARG A 9 9.855 -7.187 2.763 1.00 4.27 C ATOM 117 NH1 ARG A 9 10.454 -6.698 1.691 1.00 4.46 N ATOM 118 NH2 ARG A 9 9.796 -8.500 2.934 1.00 4.95 N ATOM 0 HA ARG A 9 10.480 -2.555 3.787 1.00 3.14 H new ATOM 0 HB2 ARG A 9 7.910 -2.333 5.381 1.00 2.97 H new ATOM 0 HB3 ARG A 9 8.040 -2.465 3.638 1.00 2.97 H new ATOM 0 HG2 ARG A 9 8.911 -4.564 5.648 1.00 3.11 H new ATOM 0 HG3 ARG A 9 7.458 -4.617 4.670 1.00 3.11 H new ATOM 0 HD2 ARG A 9 8.847 -4.604 2.599 1.00 3.35 H new ATOM 0 HD3 ARG A 9 10.303 -4.540 3.573 1.00 3.35 H new ATOM 0 HE ARG A 9 8.805 -6.792 4.446 1.00 3.78 H new ATOM 0 HH11 ARG A 9 10.478 -5.690 1.535 1.00 4.46 H new ATOM 0 HH12 ARG A 9 10.892 -7.328 1.020 1.00 4.46 H new ATOM 0 HH21 ARG A 9 9.309 -8.888 3.742 1.00 4.95 H new ATOM 0 HH22 ARG A 9 10.237 -9.123 2.257 1.00 4.95 H new ATOM 132 N ILE A 10 10.692 -0.043 5.404 1.00 2.78 N ATOM 133 CA ILE A 10 10.844 1.413 5.570 1.00 2.70 C ATOM 134 C ILE A 10 9.562 2.167 5.981 1.00 2.20 C ATOM 135 O ILE A 10 9.598 2.943 6.940 1.00 2.49 O ATOM 136 CB ILE A 10 11.539 2.090 4.362 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.971 3.499 4.754 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.651 2.125 3.124 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.915 4.133 3.759 1.00 3.25 C ATOM 0 H ILE A 10 11.334 -0.567 5.999 1.00 2.78 H new ATOM 0 HA ILE A 10 11.510 1.499 6.429 1.00 2.70 H new ATOM 0 HB ILE A 10 12.413 1.494 4.100 1.00 2.80 H new ATOM 0 HG12 ILE A 10 11.086 4.128 4.856 1.00 2.80 H new ATOM 0 HG13 ILE A 10 12.453 3.465 5.731 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.185 2.609 2.307 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.390 1.107 2.834 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.741 2.684 3.344 1.00 2.55 H new ATOM 0 HD11 ILE A 10 13.183 5.134 4.098 1.00 3.25 H new ATOM 0 HD12 ILE A 10 13.816 3.525 3.674 1.00 3.25 H new ATOM 0 HD13 ILE A 10 12.428 4.198 2.786 1.00 3.25 H new ATOM 151 N ILE A 11 8.444 1.969 5.295 1.00 1.98 N ATOM 152 CA ILE A 11 7.223 2.668 5.675 1.00 1.56 C ATOM 153 C ILE A 11 6.310 1.749 6.479 1.00 1.31 C ATOM 154 O ILE A 11 6.384 1.715 7.706 1.00 1.71 O ATOM 155 CB ILE A 11 6.435 3.234 4.462 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.321 4.153 3.618 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.171 3.977 4.928 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.702 4.459 2.274 1.00 2.05 C ATOM 0 H ILE A 11 8.356 1.346 4.492 1.00 1.98 H new ATOM 0 HA ILE A 11 7.540 3.516 6.282 1.00 1.56 H new ATOM 0 HB ILE A 11 6.126 2.394 3.840 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.495 5.084 4.157 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.294 3.684 3.471 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.636 4.364 4.061 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.526 3.290 5.475 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.454 4.804 5.579 1.00 1.05 H new ATOM 0 HD11 ILE A 11 7.365 5.114 1.709 1.00 2.05 H new ATOM 0 HD12 ILE A 11 6.552 3.531 1.722 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.741 4.953 2.420 1.00 2.05 H new ATOM 170 N ARG A 12 5.440 1.022 5.793 1.00 0.96 N ATOM 171 CA ARG A 12 4.496 0.138 6.472 1.00 1.02 C ATOM 172 C ARG A 12 4.132 -1.057 5.602 1.00 0.77 C ATOM 173 O ARG A 12 4.206 -0.978 4.376 1.00 0.91 O ATOM 174 CB ARG A 12 3.225 0.925 6.797 1.00 1.53 C ATOM 175 CG ARG A 12 2.839 0.922 8.270 1.00 2.10 C ATOM 176 CD ARG A 12 3.705 1.861 9.097 1.00 2.67 C ATOM 177 NE ARG A 12 3.489 1.689 10.533 1.00 3.29 N ATOM 178 CZ ARG A 12 3.795 2.608 11.437 1.00 3.98 C ATOM 179 NH1 ARG A 12 4.344 3.747 11.064 1.00 4.30 N ATOM 180 NH2 ARG A 12 3.557 2.386 12.716 1.00 4.72 N ATOM 0 H ARG A 12 5.366 1.024 4.776 1.00 0.96 H new ATOM 0 HA ARG A 12 4.965 -0.232 7.384 1.00 1.02 H new ATOM 0 HB2 ARG A 12 3.359 1.957 6.472 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.399 0.512 6.217 1.00 1.53 H new ATOM 0 HG2 ARG A 12 1.793 1.214 8.370 1.00 2.10 H new ATOM 0 HG3 ARG A 12 2.926 -0.091 8.664 1.00 2.10 H new ATOM 0 HD2 ARG A 12 4.755 1.683 8.865 1.00 2.67 H new ATOM 0 HD3 ARG A 12 3.488 2.892 8.819 1.00 2.67 H new ATOM 0 HE ARG A 12 3.080 0.813 10.857 1.00 3.29 H new ATOM 0 HH11 ARG A 12 4.534 3.922 10.077 1.00 4.30 H new ATOM 0 HH12 ARG A 12 4.579 4.453 11.762 1.00 4.30 H new ATOM 0 HH21 ARG A 12 3.136 1.505 13.011 1.00 4.72 H new ATOM 0 HH22 ARG A 12 3.794 3.096 13.409 1.00 4.72 H new ATOM 194 N HIS A 13 3.740 -2.163 6.233 1.00 0.70 N ATOM 195 CA HIS A 13 3.355 -3.353 5.492 1.00 0.68 C ATOM 196 C HIS A 13 2.323 -4.182 6.268 1.00 0.74 C ATOM 197 O HIS A 13 2.619 -4.762 7.314 1.00 1.04 O ATOM 198 CB HIS A 13 4.605 -4.191 5.157 1.00 0.93 C ATOM 199 CG HIS A 13 5.223 -4.898 6.328 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.846 -4.244 7.374 1.00 1.69 N ATOM 201 CD2 HIS A 13 5.270 -6.215 6.639 1.00 1.46 C ATOM 202 CE1 HIS A 13 6.247 -5.128 8.266 1.00 1.98 C ATOM 203 NE2 HIS A 13 5.907 -6.331 7.849 1.00 1.80 N ATOM 0 H HIS A 13 3.682 -2.255 7.247 1.00 0.70 H new ATOM 0 HA HIS A 13 2.884 -3.043 4.559 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.337 -4.932 4.404 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.354 -3.537 4.709 1.00 0.93 H new ATOM 0 HD2 HIS A 13 4.878 -7.026 6.044 1.00 1.46 H new ATOM 0 HE1 HIS A 13 6.767 -4.904 9.185 1.00 1.98 H new ATOM 0 HE2 HIS A 13 6.088 -7.204 8.344 1.00 1.80 H new ATOM 212 N ASP A 14 1.104 -4.233 5.758 1.00 0.60 N ATOM 213 CA ASP A 14 0.033 -4.989 6.412 1.00 0.69 C ATOM 214 C ASP A 14 -0.942 -5.533 5.378 1.00 0.61 C ATOM 215 O ASP A 14 -0.848 -5.204 4.196 1.00 0.86 O ATOM 216 CB ASP A 14 -0.725 -4.131 7.448 1.00 0.83 C ATOM 217 CG ASP A 14 0.054 -3.908 8.737 1.00 1.31 C ATOM 218 OD1 ASP A 14 0.100 -4.832 9.581 1.00 1.78 O ATOM 219 OD2 ASP A 14 0.639 -2.820 8.911 1.00 2.03 O ATOM 0 H ASP A 14 0.825 -3.764 4.896 1.00 0.60 H new ATOM 0 HA ASP A 14 0.499 -5.820 6.941 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.962 -3.164 7.004 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.673 -4.614 7.684 1.00 0.83 H new ATOM 224 N ALA A 15 -1.876 -6.370 5.811 1.00 0.75 N ATOM 225 CA ALA A 15 -2.849 -6.943 4.891 1.00 0.71 C ATOM 226 C ALA A 15 -4.092 -6.068 4.794 1.00 0.68 C ATOM 227 O ALA A 15 -4.652 -5.657 5.809 1.00 0.88 O ATOM 228 CB ALA A 15 -3.230 -8.363 5.306 1.00 0.84 C ATOM 0 H ALA A 15 -1.980 -6.664 6.782 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.383 -6.988 3.907 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.958 -8.765 4.601 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.340 -8.993 5.308 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.664 -8.346 6.306 1.00 0.84 H new ATOM 234 N PHE A 16 -4.532 -5.795 3.568 1.00 0.60 N ATOM 235 CA PHE A 16 -5.728 -4.987 3.345 1.00 0.67 C ATOM 236 C PHE A 16 -6.754 -5.756 2.526 1.00 0.68 C ATOM 237 O PHE A 16 -6.600 -5.925 1.316 1.00 1.00 O ATOM 238 CB PHE A 16 -5.409 -3.661 2.649 1.00 0.77 C ATOM 239 CG PHE A 16 -4.975 -2.586 3.585 1.00 1.09 C ATOM 240 CD1 PHE A 16 -3.811 -2.709 4.321 1.00 1.83 C ATOM 241 CD2 PHE A 16 -5.746 -1.452 3.728 1.00 1.74 C ATOM 242 CE1 PHE A 16 -3.422 -1.707 5.180 1.00 2.36 C ATOM 243 CE2 PHE A 16 -5.366 -0.445 4.583 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.202 -0.572 5.313 1.00 2.35 C ATOM 0 H PHE A 16 -4.079 -6.121 2.714 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.141 -4.762 4.328 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -4.624 -3.827 1.911 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -6.292 -3.324 2.106 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -3.204 -3.597 4.221 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -6.660 -1.354 3.161 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -2.510 -1.806 5.749 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -5.975 0.441 4.683 1.00 2.26 H new ATOM 0 HZ PHE A 16 -3.900 0.215 5.988 1.00 2.35 H new ATOM 254 N GLN A 17 -7.786 -6.228 3.199 1.00 0.59 N ATOM 255 CA GLN A 17 -8.846 -7.003 2.564 1.00 0.60 C ATOM 256 C GLN A 17 -9.869 -6.044 1.992 1.00 0.64 C ATOM 257 O GLN A 17 -10.784 -5.599 2.688 1.00 0.95 O ATOM 258 CB GLN A 17 -9.478 -7.954 3.589 1.00 0.74 C ATOM 259 CG GLN A 17 -10.614 -8.807 3.049 1.00 1.07 C ATOM 260 CD GLN A 17 -11.210 -9.722 4.108 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.760 -9.255 5.109 1.00 1.81 O ATOM 262 NE2 GLN A 17 -11.107 -11.028 3.903 1.00 1.63 N ATOM 0 H GLN A 17 -7.917 -6.088 4.201 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.443 -7.611 1.754 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.702 -8.612 3.980 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -9.850 -7.366 4.428 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.395 -8.158 2.653 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.248 -9.409 2.217 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.645 -11.378 3.063 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -11.489 -11.683 4.585 1.00 1.63 H new ATOM 271 N VAL A 18 -9.668 -5.659 0.735 1.00 0.51 N ATOM 272 CA VAL A 18 -10.549 -4.677 0.134 1.00 0.59 C ATOM 273 C VAL A 18 -10.812 -4.858 -1.351 1.00 0.60 C ATOM 274 O VAL A 18 -9.934 -5.217 -2.136 1.00 1.04 O ATOM 275 CB VAL A 18 -9.968 -3.266 0.297 1.00 0.83 C ATOM 276 CG1 VAL A 18 -11.059 -2.292 0.699 1.00 1.24 C ATOM 277 CG2 VAL A 18 -8.825 -3.258 1.303 1.00 0.84 C ATOM 0 H VAL A 18 -8.922 -6.004 0.131 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.491 -4.819 0.663 1.00 0.59 H new ATOM 0 HB VAL A 18 -9.561 -2.947 -0.663 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -10.633 -1.295 0.811 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -11.831 -2.272 -0.070 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -11.498 -2.608 1.645 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -8.432 -2.246 1.399 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -9.191 -3.599 2.272 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -8.033 -3.924 0.959 1.00 0.84 H new ATOM 287 N TRP A 19 -12.054 -4.580 -1.687 1.00 0.63 N ATOM 288 CA TRP A 19 -12.571 -4.635 -3.038 1.00 0.65 C ATOM 289 C TRP A 19 -11.682 -3.841 -3.979 1.00 0.68 C ATOM 290 O TRP A 19 -11.555 -2.632 -3.828 1.00 1.04 O ATOM 291 CB TRP A 19 -13.957 -4.000 -3.030 1.00 0.72 C ATOM 292 CG TRP A 19 -14.866 -4.558 -1.983 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.761 -5.564 -2.152 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.951 -4.166 -0.602 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.430 -5.803 -0.984 1.00 0.90 N ATOM 296 CE2 TRP A 19 -15.943 -4.971 -0.010 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.290 -3.213 0.190 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.292 -4.856 1.333 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.638 -3.105 1.520 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.630 -3.923 2.083 1.00 0.96 C ATOM 0 H TRP A 19 -12.756 -4.300 -1.002 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.606 -5.671 -3.376 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.854 -2.926 -2.875 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.416 -4.138 -4.009 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.922 -6.099 -3.076 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.173 -6.491 -0.858 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.526 -2.578 -0.233 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.058 -5.481 1.767 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.137 -2.377 2.141 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -15.875 -3.814 3.129 1.00 0.96 H new ATOM 311 N GLU A 20 -11.071 -4.491 -4.951 1.00 0.69 N ATOM 312 CA GLU A 20 -10.224 -3.776 -5.889 1.00 0.77 C ATOM 313 C GLU A 20 -11.137 -3.151 -6.936 1.00 1.18 C ATOM 314 O GLU A 20 -12.353 -3.084 -6.730 1.00 1.81 O ATOM 315 CB GLU A 20 -9.217 -4.748 -6.530 1.00 1.04 C ATOM 316 CG GLU A 20 -8.019 -4.078 -7.200 1.00 1.26 C ATOM 317 CD GLU A 20 -8.059 -4.208 -8.707 1.00 1.90 C ATOM 318 OE1 GLU A 20 -8.164 -5.344 -9.214 1.00 2.42 O ATOM 319 OE2 GLU A 20 -8.010 -3.170 -9.388 1.00 2.62 O ATOM 0 H GLU A 20 -11.142 -5.496 -5.112 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.647 -2.997 -5.390 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -8.852 -5.430 -5.762 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.739 -5.353 -7.271 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -7.997 -3.023 -6.929 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.098 -4.523 -6.823 1.00 1.26 H new ATOM 326 N GLY A 21 -10.589 -2.731 -8.052 1.00 1.49 N ATOM 327 CA GLY A 21 -11.412 -2.165 -9.083 1.00 1.95 C ATOM 328 C GLY A 21 -12.307 -3.222 -9.673 1.00 2.05 C ATOM 329 O GLY A 21 -11.947 -4.401 -9.677 1.00 2.48 O ATOM 0 H GLY A 21 -9.592 -2.771 -8.263 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -12.015 -1.355 -8.673 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -10.785 -1.733 -9.863 1.00 1.95 H new ATOM 333 N ASP A 22 -13.465 -2.810 -10.164 1.00 2.34 N ATOM 334 CA ASP A 22 -14.420 -3.734 -10.767 1.00 2.75 C ATOM 335 C ASP A 22 -15.090 -4.621 -9.720 1.00 2.43 C ATOM 336 O ASP A 22 -15.775 -5.570 -10.092 1.00 2.85 O ATOM 337 CB ASP A 22 -13.754 -4.607 -11.849 1.00 3.62 C ATOM 338 CG ASP A 22 -13.240 -3.799 -13.016 1.00 4.19 C ATOM 339 OD1 ASP A 22 -14.051 -3.120 -13.678 1.00 4.65 O ATOM 340 OD2 ASP A 22 -12.022 -3.852 -13.290 1.00 4.60 O ATOM 0 H ASP A 22 -13.770 -1.837 -10.158 1.00 2.34 H new ATOM 0 HA ASP A 22 -15.190 -3.123 -11.239 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -12.928 -5.161 -11.404 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -14.473 -5.342 -12.210 1.00 3.62 H new ATOM 345 N GLU A 23 -14.953 -4.236 -8.435 1.00 2.07 N ATOM 346 CA GLU A 23 -15.581 -4.902 -7.273 1.00 2.37 C ATOM 347 C GLU A 23 -14.721 -5.978 -6.544 1.00 1.70 C ATOM 348 O GLU A 23 -14.418 -5.764 -5.377 1.00 1.86 O ATOM 349 CB GLU A 23 -16.973 -5.424 -7.615 1.00 3.34 C ATOM 350 CG GLU A 23 -17.765 -5.897 -6.408 1.00 4.22 C ATOM 351 CD GLU A 23 -18.071 -4.781 -5.420 1.00 5.12 C ATOM 352 OE1 GLU A 23 -17.759 -3.607 -5.704 1.00 5.52 O ATOM 353 OE2 GLU A 23 -18.654 -5.070 -4.358 1.00 5.78 O ATOM 0 H GLU A 23 -14.387 -3.431 -8.168 1.00 2.07 H new ATOM 0 HA GLU A 23 -15.668 -4.107 -6.533 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -17.533 -4.636 -8.119 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -16.878 -6.249 -8.321 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -18.701 -6.341 -6.747 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -17.206 -6.682 -5.899 1.00 4.22 H new ATOM 360 N PRO A 24 -14.346 -7.141 -7.164 1.00 1.42 N ATOM 361 CA PRO A 24 -13.564 -8.223 -6.542 1.00 1.17 C ATOM 362 C PRO A 24 -12.729 -7.842 -5.307 1.00 0.97 C ATOM 363 O PRO A 24 -11.702 -7.165 -5.412 1.00 1.08 O ATOM 364 CB PRO A 24 -12.656 -8.642 -7.698 1.00 1.65 C ATOM 365 CG PRO A 24 -13.453 -8.369 -8.937 1.00 2.09 C ATOM 366 CD PRO A 24 -14.662 -7.554 -8.529 1.00 2.00 C ATOM 0 HA PRO A 24 -14.221 -8.991 -6.134 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -11.725 -8.074 -7.694 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -12.387 -9.696 -7.626 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -12.853 -7.826 -9.667 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -13.761 -9.302 -9.408 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -14.808 -6.696 -9.185 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -15.577 -8.145 -8.569 1.00 2.00 H new ATOM 374 N PRO A 25 -13.140 -8.335 -4.118 1.00 0.88 N ATOM 375 CA PRO A 25 -12.436 -8.104 -2.868 1.00 0.77 C ATOM 376 C PRO A 25 -11.269 -9.065 -2.725 1.00 0.74 C ATOM 377 O PRO A 25 -11.414 -10.276 -2.895 1.00 0.92 O ATOM 378 CB PRO A 25 -13.497 -8.352 -1.785 1.00 0.92 C ATOM 379 CG PRO A 25 -14.668 -8.993 -2.473 1.00 1.08 C ATOM 380 CD PRO A 25 -14.295 -9.205 -3.920 1.00 1.09 C ATOM 0 HA PRO A 25 -12.009 -7.103 -2.804 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.106 -9.000 -1.000 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -13.791 -7.417 -1.309 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -14.916 -9.943 -1.999 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.551 -8.358 -2.395 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -14.048 -10.248 -4.120 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.115 -8.938 -4.587 1.00 1.09 H new ATOM 388 N LYS A 26 -10.095 -8.520 -2.488 1.00 0.65 N ATOM 389 CA LYS A 26 -8.910 -9.352 -2.401 1.00 0.73 C ATOM 390 C LYS A 26 -8.119 -9.138 -1.125 1.00 0.66 C ATOM 391 O LYS A 26 -8.179 -8.085 -0.481 1.00 0.88 O ATOM 392 CB LYS A 26 -8.006 -9.070 -3.595 1.00 0.95 C ATOM 393 CG LYS A 26 -8.689 -9.198 -4.941 1.00 1.34 C ATOM 394 CD LYS A 26 -7.779 -8.682 -6.024 1.00 1.42 C ATOM 395 CE LYS A 26 -8.535 -8.411 -7.309 1.00 1.61 C ATOM 396 NZ LYS A 26 -7.673 -7.747 -8.318 1.00 2.20 N ATOM 0 H LYS A 26 -9.934 -7.522 -2.354 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.253 -10.387 -2.399 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -7.603 -8.062 -3.500 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -7.159 -9.756 -3.564 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -8.943 -10.240 -5.133 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -9.623 -8.637 -4.940 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -7.295 -7.766 -5.686 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -6.989 -9.409 -6.213 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -8.914 -9.349 -7.714 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -9.400 -7.782 -7.098 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -8.162 -6.910 -8.695 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -6.780 -7.455 -7.873 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -7.473 -8.410 -9.094 1.00 2.20 H new ATOM 410 N LEU A 27 -7.356 -10.164 -0.807 1.00 0.67 N ATOM 411 CA LEU A 27 -6.494 -10.184 0.355 1.00 0.65 C ATOM 412 C LEU A 27 -5.108 -9.712 -0.093 1.00 0.67 C ATOM 413 O LEU A 27 -4.219 -10.516 -0.362 1.00 1.02 O ATOM 414 CB LEU A 27 -6.438 -11.613 0.915 1.00 0.76 C ATOM 415 CG LEU A 27 -6.176 -11.751 2.422 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.170 -13.219 2.810 1.00 1.23 C ATOM 417 CD2 LEU A 27 -4.864 -11.101 2.805 1.00 1.31 C ATOM 0 H LEU A 27 -7.318 -11.021 -1.359 1.00 0.67 H new ATOM 0 HA LEU A 27 -6.867 -9.529 1.142 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.383 -12.106 0.687 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -5.658 -12.157 0.382 1.00 0.76 H new ATOM 0 HG LEU A 27 -6.974 -11.241 2.961 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.984 -13.312 3.880 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -7.136 -13.663 2.570 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -5.386 -13.738 2.259 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -4.702 -11.213 3.877 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -4.049 -11.580 2.263 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -4.895 -10.041 2.551 1.00 1.31 H new ATOM 429 N ARG A 28 -4.952 -8.404 -0.224 1.00 0.57 N ATOM 430 CA ARG A 28 -3.693 -7.837 -0.691 1.00 0.59 C ATOM 431 C ARG A 28 -2.752 -7.483 0.454 1.00 0.55 C ATOM 432 O ARG A 28 -3.145 -6.844 1.433 1.00 0.64 O ATOM 433 CB ARG A 28 -3.943 -6.601 -1.565 1.00 0.71 C ATOM 434 CG ARG A 28 -4.561 -5.422 -0.825 1.00 1.41 C ATOM 435 CD ARG A 28 -4.630 -4.171 -1.687 1.00 1.72 C ATOM 436 NE ARG A 28 -5.522 -4.337 -2.835 1.00 1.97 N ATOM 437 CZ ARG A 28 -6.852 -4.349 -2.752 1.00 2.42 C ATOM 438 NH1 ARG A 28 -7.436 -3.714 -1.746 1.00 2.77 N ATOM 439 NH2 ARG A 28 -7.562 -4.592 -3.842 1.00 3.18 N ATOM 0 H ARG A 28 -5.676 -7.717 -0.015 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.207 -8.608 -1.288 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -2.997 -6.284 -2.003 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -4.599 -6.881 -2.390 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -5.565 -5.689 -0.495 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -3.977 -5.211 0.071 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -4.974 -3.333 -1.081 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -3.630 -3.920 -2.040 1.00 1.72 H new ATOM 0 HE ARG A 28 -5.099 -4.451 -3.756 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -6.869 -3.227 -1.052 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -8.453 -3.712 -1.666 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -7.090 -4.767 -4.729 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -8.581 -4.605 -3.795 1.00 3.18 H new ATOM 453 N TYR A 29 -1.494 -7.864 0.292 1.00 0.55 N ATOM 454 CA TYR A 29 -0.450 -7.564 1.257 1.00 0.59 C ATOM 455 C TYR A 29 0.189 -6.257 0.832 1.00 0.55 C ATOM 456 O TYR A 29 1.013 -6.229 -0.085 1.00 0.70 O ATOM 457 CB TYR A 29 0.593 -8.685 1.308 1.00 0.71 C ATOM 458 CG TYR A 29 0.119 -9.951 1.986 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.142 -10.028 2.560 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.936 -11.075 2.054 1.00 1.38 C ATOM 461 CE1 TYR A 29 -1.575 -11.183 3.178 1.00 1.63 C ATOM 462 CE2 TYR A 29 0.505 -12.235 2.669 1.00 1.55 C ATOM 463 CZ TYR A 29 -0.750 -12.282 3.228 1.00 1.26 C ATOM 464 OH TYR A 29 -1.186 -13.429 3.850 1.00 1.58 O ATOM 0 H TYR A 29 -1.168 -8.393 -0.517 1.00 0.55 H new ATOM 0 HA TYR A 29 -0.872 -7.481 2.259 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.899 -8.926 0.290 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.477 -8.318 1.829 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -1.796 -9.169 2.522 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.924 -11.040 1.619 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -2.559 -11.224 3.621 1.00 1.63 H new ATOM 0 HE2 TYR A 29 1.151 -13.100 2.710 1.00 1.55 H new ATOM 0 HH TYR A 29 -0.487 -14.114 3.799 1.00 1.58 H new ATOM 474 N VAL A 30 -0.248 -5.174 1.430 1.00 0.48 N ATOM 475 CA VAL A 30 0.216 -3.857 1.056 1.00 0.48 C ATOM 476 C VAL A 30 1.527 -3.471 1.732 1.00 0.49 C ATOM 477 O VAL A 30 1.583 -3.262 2.946 1.00 0.59 O ATOM 478 CB VAL A 30 -0.864 -2.816 1.394 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.543 -1.475 0.759 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.227 -3.292 0.919 1.00 0.65 C ATOM 0 H VAL A 30 -0.932 -5.179 2.186 1.00 0.48 H new ATOM 0 HA VAL A 30 0.406 -3.879 -0.017 1.00 0.48 H new ATOM 0 HB VAL A 30 -0.883 -2.694 2.477 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.322 -0.756 1.013 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.417 -1.117 1.131 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.493 -1.588 -0.324 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -2.980 -2.544 1.166 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.204 -3.441 -0.160 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.475 -4.233 1.410 1.00 0.65 H new ATOM 490 N PHE A 31 2.570 -3.350 0.923 1.00 0.49 N ATOM 491 CA PHE A 31 3.880 -2.956 1.406 1.00 0.54 C ATOM 492 C PHE A 31 4.237 -1.604 0.810 1.00 0.52 C ATOM 493 O PHE A 31 4.357 -1.469 -0.408 1.00 0.56 O ATOM 494 CB PHE A 31 4.955 -3.970 1.000 1.00 0.61 C ATOM 495 CG PHE A 31 4.576 -5.407 1.195 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.328 -5.894 2.459 1.00 1.22 C ATOM 497 CD2 PHE A 31 4.510 -6.272 0.120 1.00 1.44 C ATOM 498 CE1 PHE A 31 4.019 -7.223 2.656 1.00 1.30 C ATOM 499 CE2 PHE A 31 4.193 -7.605 0.305 1.00 1.49 C ATOM 500 CZ PHE A 31 3.952 -8.084 1.579 1.00 0.85 C ATOM 0 H PHE A 31 2.530 -3.522 -0.082 1.00 0.49 H new ATOM 0 HA PHE A 31 3.843 -2.908 2.494 1.00 0.54 H new ATOM 0 HB2 PHE A 31 5.202 -3.814 -0.050 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.859 -3.767 1.574 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.376 -5.226 3.307 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.708 -5.903 -0.876 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.829 -7.591 3.654 1.00 1.30 H new ATOM 0 HE2 PHE A 31 4.134 -8.270 -0.544 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.713 -9.126 1.731 1.00 0.85 H new ATOM 510 N LEU A 32 4.401 -0.606 1.647 1.00 0.57 N ATOM 511 CA LEU A 32 4.744 0.713 1.151 1.00 0.59 C ATOM 512 C LEU A 32 6.234 0.951 1.297 1.00 0.67 C ATOM 513 O LEU A 32 6.754 0.997 2.409 1.00 0.84 O ATOM 514 CB LEU A 32 4.002 1.830 1.891 1.00 0.74 C ATOM 515 CG LEU A 32 2.685 1.459 2.567 1.00 0.98 C ATOM 516 CD1 LEU A 32 2.172 2.639 3.365 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.649 1.056 1.548 1.00 1.43 C ATOM 0 H LEU A 32 4.305 -0.676 2.660 1.00 0.57 H new ATOM 0 HA LEU A 32 4.446 0.739 0.103 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.670 2.235 2.651 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.804 2.633 1.181 1.00 0.74 H new ATOM 0 HG LEU A 32 2.867 0.613 3.230 1.00 0.98 H new ATOM 0 HD11 LEU A 32 1.232 2.371 3.847 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.905 2.910 4.125 1.00 1.10 H new ATOM 0 HD13 LEU A 32 2.010 3.486 2.699 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.720 0.797 2.056 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.469 1.886 0.864 1.00 1.43 H new ATOM 0 HD23 LEU A 32 2.008 0.194 0.986 1.00 1.43 H new ATOM 529 N PHE A 33 6.918 1.110 0.184 1.00 0.75 N ATOM 530 CA PHE A 33 8.346 1.364 0.211 1.00 0.96 C ATOM 531 C PHE A 33 8.590 2.838 -0.102 1.00 1.08 C ATOM 532 O PHE A 33 7.693 3.509 -0.620 1.00 1.56 O ATOM 533 CB PHE A 33 9.059 0.477 -0.813 1.00 1.17 C ATOM 534 CG PHE A 33 9.015 -0.997 -0.511 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.605 -1.458 0.725 1.00 2.01 C ATOM 536 CD2 PHE A 33 9.410 -1.917 -1.466 1.00 1.79 C ATOM 537 CE1 PHE A 33 8.584 -2.813 1.003 1.00 2.28 C ATOM 538 CE2 PHE A 33 9.397 -3.271 -1.193 1.00 2.06 C ATOM 539 CZ PHE A 33 8.984 -3.720 0.043 1.00 2.01 C ATOM 0 H PHE A 33 6.511 1.068 -0.750 1.00 0.75 H new ATOM 0 HA PHE A 33 8.743 1.130 1.199 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.612 0.646 -1.793 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.101 0.789 -0.880 1.00 1.17 H new ATOM 0 HD1 PHE A 33 8.297 -0.753 1.483 1.00 2.01 H new ATOM 0 HD2 PHE A 33 9.733 -1.572 -2.437 1.00 1.79 H new ATOM 0 HE1 PHE A 33 8.255 -3.161 1.971 1.00 2.28 H new ATOM 0 HE2 PHE A 33 9.710 -3.977 -1.948 1.00 2.06 H new ATOM 0 HZ PHE A 33 8.973 -4.778 0.259 1.00 2.01 H new ATOM 549 N ARG A 34 9.785 3.352 0.196 1.00 1.04 N ATOM 550 CA ARG A 34 10.093 4.753 -0.073 1.00 1.17 C ATOM 551 C ARG A 34 10.381 4.945 -1.552 1.00 1.03 C ATOM 552 O ARG A 34 11.471 5.357 -1.950 1.00 1.87 O ATOM 553 CB ARG A 34 11.286 5.232 0.748 1.00 1.83 C ATOM 554 CG ARG A 34 11.305 6.736 0.944 1.00 2.51 C ATOM 555 CD ARG A 34 12.651 7.212 1.465 1.00 3.05 C ATOM 556 NE ARG A 34 13.738 6.873 0.549 1.00 3.66 N ATOM 557 CZ ARG A 34 15.016 7.189 0.757 1.00 4.29 C ATOM 558 NH1 ARG A 34 15.347 7.986 1.770 1.00 4.48 N ATOM 559 NH2 ARG A 34 15.935 6.838 -0.131 1.00 5.12 N ATOM 0 H ARG A 34 10.547 2.823 0.620 1.00 1.04 H new ATOM 0 HA ARG A 34 9.225 5.346 0.214 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.269 4.744 1.723 1.00 1.83 H new ATOM 0 HB3 ARG A 34 12.207 4.924 0.254 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.084 7.230 -0.002 1.00 2.51 H new ATOM 0 HG3 ARG A 34 10.520 7.023 1.644 1.00 2.51 H new ATOM 0 HD2 ARG A 34 12.623 8.292 1.612 1.00 3.05 H new ATOM 0 HD3 ARG A 34 12.843 6.763 2.439 1.00 3.05 H new ATOM 0 HE ARG A 34 13.504 6.363 -0.303 1.00 3.66 H new ATOM 0 HH11 ARG A 34 14.623 8.355 2.387 1.00 4.48 H new ATOM 0 HH12 ARG A 34 16.325 8.228 1.930 1.00 4.48 H new ATOM 0 HH21 ARG A 34 15.664 6.327 -0.971 1.00 5.12 H new ATOM 0 HH22 ARG A 34 16.914 7.079 0.026 1.00 5.12 H new ATOM 573 N ASN A 35 9.389 4.632 -2.350 1.00 0.98 N ATOM 574 CA ASN A 35 9.472 4.742 -3.787 1.00 1.38 C ATOM 575 C ASN A 35 8.077 4.574 -4.355 1.00 1.09 C ATOM 576 O ASN A 35 7.573 5.436 -5.074 1.00 1.24 O ATOM 577 CB ASN A 35 10.422 3.675 -4.355 1.00 2.08 C ATOM 578 CG ASN A 35 10.451 3.663 -5.878 1.00 2.84 C ATOM 579 OD1 ASN A 35 10.720 4.678 -6.520 1.00 3.26 O ATOM 580 ND2 ASN A 35 10.200 2.500 -6.461 1.00 3.64 N ATOM 0 H ASN A 35 8.489 4.289 -2.015 1.00 0.98 H new ATOM 0 HA ASN A 35 9.871 5.718 -4.065 1.00 1.38 H new ATOM 0 HB2 ASN A 35 11.429 3.854 -3.978 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.116 2.693 -3.994 1.00 2.08 H new ATOM 0 HD21 ASN A 35 10.226 2.423 -7.478 1.00 3.64 H new ATOM 0 HD22 ASN A 35 9.981 1.682 -5.893 1.00 3.64 H new ATOM 587 N LYS A 36 7.446 3.462 -4.000 1.00 0.89 N ATOM 588 CA LYS A 36 6.099 3.161 -4.447 1.00 0.69 C ATOM 589 C LYS A 36 5.453 2.146 -3.517 1.00 0.66 C ATOM 590 O LYS A 36 6.115 1.568 -2.655 1.00 0.77 O ATOM 591 CB LYS A 36 6.120 2.617 -5.877 1.00 0.80 C ATOM 592 CG LYS A 36 6.991 1.388 -6.069 1.00 1.05 C ATOM 593 CD LYS A 36 6.633 0.687 -7.361 1.00 1.32 C ATOM 594 CE LYS A 36 7.525 -0.520 -7.613 1.00 1.84 C ATOM 595 NZ LYS A 36 7.110 -1.283 -8.821 1.00 2.23 N ATOM 0 H LYS A 36 7.855 2.748 -3.397 1.00 0.89 H new ATOM 0 HA LYS A 36 5.515 4.081 -4.430 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.100 2.374 -6.175 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.469 3.403 -6.546 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.042 1.677 -6.083 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.860 0.706 -5.229 1.00 1.05 H new ATOM 0 HD2 LYS A 36 5.591 0.368 -7.325 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.724 1.387 -8.192 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.557 -0.189 -7.731 1.00 1.84 H new ATOM 0 HE3 LYS A 36 7.499 -1.177 -6.744 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 7.745 -2.096 -8.954 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 6.135 -1.622 -8.699 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 7.160 -0.665 -9.656 1.00 2.23 H new ATOM 609 N ILE A 37 4.161 1.937 -3.692 1.00 0.61 N ATOM 610 CA ILE A 37 3.433 0.999 -2.868 1.00 0.60 C ATOM 611 C ILE A 37 3.305 -0.335 -3.597 1.00 0.54 C ATOM 612 O ILE A 37 2.522 -0.474 -4.541 1.00 0.75 O ATOM 613 CB ILE A 37 2.031 1.531 -2.510 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.160 2.857 -1.753 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.264 0.507 -1.672 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.834 3.474 -1.363 1.00 1.01 C ATOM 0 H ILE A 37 3.596 2.407 -4.400 1.00 0.61 H new ATOM 0 HA ILE A 37 3.990 0.863 -1.941 1.00 0.60 H new ATOM 0 HB ILE A 37 1.472 1.701 -3.430 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.752 2.693 -0.852 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.711 3.565 -2.372 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.277 0.901 -1.430 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.156 -0.419 -2.238 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.811 0.308 -0.751 1.00 0.79 H new ATOM 0 HD11 ILE A 37 1.010 4.409 -0.831 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.247 3.671 -2.260 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.289 2.786 -0.716 1.00 1.01 H new ATOM 628 N MET A 38 4.089 -1.306 -3.156 1.00 0.51 N ATOM 629 CA MET A 38 4.081 -2.634 -3.748 1.00 0.59 C ATOM 630 C MET A 38 3.148 -3.548 -2.968 1.00 0.60 C ATOM 631 O MET A 38 3.563 -4.245 -2.046 1.00 0.98 O ATOM 632 CB MET A 38 5.499 -3.215 -3.786 1.00 0.75 C ATOM 633 CG MET A 38 6.433 -2.420 -4.675 1.00 1.40 C ATOM 634 SD MET A 38 8.170 -2.881 -4.493 1.00 1.72 S ATOM 635 CE MET A 38 8.132 -4.608 -4.958 1.00 2.53 C ATOM 0 H MET A 38 4.745 -1.197 -2.382 1.00 0.51 H new ATOM 0 HA MET A 38 3.718 -2.558 -4.773 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.903 -3.243 -2.774 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.456 -4.245 -4.140 1.00 0.75 H new ATOM 0 HG2 MET A 38 6.136 -2.557 -5.715 1.00 1.40 H new ATOM 0 HG3 MET A 38 6.321 -1.360 -4.449 1.00 1.40 H new ATOM 0 HE1 MET A 38 9.151 -4.983 -5.048 1.00 2.53 H new ATOM 0 HE2 MET A 38 7.601 -5.178 -4.196 1.00 2.53 H new ATOM 0 HE3 MET A 38 7.620 -4.716 -5.914 1.00 2.53 H new ATOM 645 N PHE A 39 1.879 -3.534 -3.350 1.00 0.61 N ATOM 646 CA PHE A 39 0.874 -4.357 -2.695 1.00 0.71 C ATOM 647 C PHE A 39 0.557 -5.583 -3.542 1.00 0.72 C ATOM 648 O PHE A 39 0.231 -5.483 -4.724 1.00 1.08 O ATOM 649 CB PHE A 39 -0.388 -3.542 -2.383 1.00 1.11 C ATOM 650 CG PHE A 39 -1.098 -2.979 -3.589 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.578 -1.907 -4.301 1.00 1.32 C ATOM 652 CD2 PHE A 39 -2.292 -3.535 -4.006 1.00 1.31 C ATOM 653 CE1 PHE A 39 -1.243 -1.405 -5.407 1.00 1.66 C ATOM 654 CE2 PHE A 39 -2.962 -3.038 -5.110 1.00 1.69 C ATOM 655 CZ PHE A 39 -2.435 -1.974 -5.810 1.00 1.57 C ATOM 0 H PHE A 39 1.521 -2.959 -4.113 1.00 0.61 H new ATOM 0 HA PHE A 39 1.277 -4.703 -1.743 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.084 -4.175 -1.833 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.116 -2.718 -1.723 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.354 -1.460 -3.989 1.00 1.32 H new ATOM 0 HD2 PHE A 39 -2.709 -4.370 -3.462 1.00 1.31 H new ATOM 0 HE1 PHE A 39 -0.830 -0.570 -5.953 1.00 1.66 H new ATOM 0 HE2 PHE A 39 -3.895 -3.483 -5.422 1.00 1.69 H new ATOM 0 HZ PHE A 39 -2.954 -1.585 -6.674 1.00 1.57 H new ATOM 665 N THR A 40 0.692 -6.742 -2.938 1.00 0.63 N ATOM 666 CA THR A 40 0.464 -7.996 -3.634 1.00 0.74 C ATOM 667 C THR A 40 -0.917 -8.566 -3.313 1.00 0.84 C ATOM 668 O THR A 40 -1.175 -9.007 -2.193 1.00 1.16 O ATOM 669 CB THR A 40 1.587 -8.957 -3.260 1.00 0.98 C ATOM 670 OG1 THR A 40 1.726 -9.034 -1.851 1.00 1.45 O ATOM 671 CG2 THR A 40 2.929 -8.527 -3.824 1.00 1.35 C ATOM 0 H THR A 40 0.960 -6.846 -1.959 1.00 0.63 H new ATOM 0 HA THR A 40 0.476 -7.835 -4.712 1.00 0.74 H new ATOM 0 HB THR A 40 1.311 -9.923 -3.683 1.00 0.98 H new ATOM 0 HG1 THR A 40 2.450 -9.656 -1.627 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.694 -9.245 -3.529 1.00 1.35 H new ATOM 0 HG22 THR A 40 2.870 -8.486 -4.912 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.187 -7.541 -3.437 1.00 1.35 H new ATOM 679 N GLU A 41 -1.811 -8.513 -4.289 1.00 1.04 N ATOM 680 CA GLU A 41 -3.177 -8.981 -4.099 1.00 1.27 C ATOM 681 C GLU A 41 -3.334 -10.481 -4.266 1.00 1.20 C ATOM 682 O GLU A 41 -2.761 -11.097 -5.163 1.00 1.66 O ATOM 683 CB GLU A 41 -4.118 -8.273 -5.063 1.00 1.89 C ATOM 684 CG GLU A 41 -4.221 -6.780 -4.814 1.00 2.55 C ATOM 685 CD GLU A 41 -5.197 -6.075 -5.734 1.00 3.05 C ATOM 686 OE1 GLU A 41 -5.710 -6.709 -6.679 1.00 3.46 O ATOM 687 OE2 GLU A 41 -5.451 -4.877 -5.509 1.00 3.56 O ATOM 0 H GLU A 41 -1.615 -8.150 -5.222 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.432 -8.742 -3.067 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -3.775 -8.441 -6.084 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -5.110 -8.717 -4.983 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -4.524 -6.613 -3.780 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -3.235 -6.332 -4.933 1.00 2.55 H new ATOM 694 N GLN A 42 -4.161 -11.036 -3.407 1.00 1.08 N ATOM 695 CA GLN A 42 -4.481 -12.446 -3.427 1.00 1.24 C ATOM 696 C GLN A 42 -5.992 -12.589 -3.556 1.00 1.37 C ATOM 697 O GLN A 42 -6.739 -11.897 -2.866 1.00 1.84 O ATOM 698 CB GLN A 42 -3.977 -13.131 -2.148 1.00 1.58 C ATOM 699 CG GLN A 42 -4.285 -14.619 -2.078 1.00 2.34 C ATOM 700 CD GLN A 42 -3.713 -15.261 -0.833 1.00 2.87 C ATOM 701 OE1 GLN A 42 -4.065 -14.895 0.286 1.00 3.26 O ATOM 702 NE2 GLN A 42 -2.821 -16.217 -1.019 1.00 3.46 N ATOM 0 H GLN A 42 -4.634 -10.516 -2.668 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.990 -12.929 -4.272 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -2.899 -12.990 -2.074 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -4.423 -12.638 -1.284 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -5.365 -14.767 -2.098 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -3.879 -15.115 -2.960 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -2.557 -16.491 -1.965 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -2.396 -16.682 -0.216 1.00 3.46 H new ATOM 711 N ASP A 43 -6.441 -13.452 -4.457 1.00 1.32 N ATOM 712 CA ASP A 43 -7.881 -13.630 -4.685 1.00 1.60 C ATOM 713 C ASP A 43 -8.504 -14.635 -3.711 1.00 1.62 C ATOM 714 O ASP A 43 -7.811 -15.467 -3.116 1.00 1.97 O ATOM 715 CB ASP A 43 -8.162 -14.101 -6.107 1.00 2.08 C ATOM 716 CG ASP A 43 -9.634 -14.033 -6.455 1.00 2.50 C ATOM 717 OD1 ASP A 43 -10.124 -12.934 -6.781 1.00 2.96 O ATOM 718 OD2 ASP A 43 -10.313 -15.072 -6.368 1.00 2.87 O ATOM 0 H ASP A 43 -5.842 -14.037 -5.040 1.00 1.32 H new ATOM 0 HA ASP A 43 -8.332 -12.652 -4.520 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -7.596 -13.488 -6.809 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -7.810 -15.126 -6.224 1.00 2.08 H new ATOM 723 N ALA A 44 -9.823 -14.539 -3.559 1.00 1.87 N ATOM 724 CA ALA A 44 -10.581 -15.403 -2.663 1.00 2.28 C ATOM 725 C ALA A 44 -10.956 -16.735 -3.306 1.00 2.75 C ATOM 726 O ALA A 44 -12.095 -17.199 -3.188 1.00 3.39 O ATOM 727 CB ALA A 44 -11.821 -14.676 -2.188 1.00 2.82 C ATOM 0 H ALA A 44 -10.396 -13.857 -4.056 1.00 1.87 H new ATOM 0 HA ALA A 44 -9.940 -15.638 -1.813 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -12.388 -15.323 -1.518 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -11.530 -13.769 -1.658 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -12.439 -14.412 -3.046 1.00 2.82 H new ATOM 861 N TYR A 54 0.199 -7.724 -11.156 1.00 2.10 N ATOM 862 CA TYR A 54 -0.522 -6.661 -11.825 1.00 2.00 C ATOM 863 C TYR A 54 -0.722 -5.472 -10.897 1.00 1.62 C ATOM 864 O TYR A 54 -0.790 -4.332 -11.347 1.00 1.96 O ATOM 865 CB TYR A 54 -1.894 -7.161 -12.294 1.00 2.78 C ATOM 866 CG TYR A 54 -1.868 -8.426 -13.117 1.00 3.45 C ATOM 867 CD1 TYR A 54 -1.587 -9.654 -12.536 1.00 3.89 C ATOM 868 CD2 TYR A 54 -2.133 -8.392 -14.478 1.00 4.24 C ATOM 869 CE1 TYR A 54 -1.563 -10.808 -13.287 1.00 4.87 C ATOM 870 CE2 TYR A 54 -2.115 -9.543 -15.235 1.00 5.15 C ATOM 871 CZ TYR A 54 -1.828 -10.746 -14.634 1.00 5.40 C ATOM 872 OH TYR A 54 -1.798 -11.897 -15.382 1.00 6.50 O ATOM 0 HA TYR A 54 0.071 -6.348 -12.685 1.00 2.00 H new ATOM 0 HB2 TYR A 54 -2.521 -7.329 -11.418 1.00 2.78 H new ATOM 0 HB3 TYR A 54 -2.369 -6.374 -12.880 1.00 2.78 H new ATOM 0 HD1 TYR A 54 -1.384 -9.706 -11.477 1.00 3.89 H new ATOM 0 HD2 TYR A 54 -2.357 -7.448 -14.952 1.00 4.24 H new ATOM 0 HE1 TYR A 54 -1.337 -11.756 -12.820 1.00 4.87 H new ATOM 0 HE2 TYR A 54 -2.325 -9.501 -16.294 1.00 5.15 H new ATOM 0 HH TYR A 54 -2.008 -11.686 -16.316 1.00 6.50 H new ATOM 882 N SER A 55 -0.848 -5.752 -9.607 1.00 1.34 N ATOM 883 CA SER A 55 -1.086 -4.714 -8.616 1.00 1.50 C ATOM 884 C SER A 55 0.181 -3.911 -8.294 1.00 1.20 C ATOM 885 O SER A 55 1.023 -4.347 -7.504 1.00 1.33 O ATOM 886 CB SER A 55 -1.658 -5.355 -7.349 1.00 2.13 C ATOM 887 OG SER A 55 -0.902 -6.494 -6.970 1.00 2.61 O ATOM 0 H SER A 55 -0.789 -6.695 -9.222 1.00 1.34 H new ATOM 0 HA SER A 55 -1.803 -4.005 -9.031 1.00 1.50 H new ATOM 0 HB2 SER A 55 -1.658 -4.628 -6.537 1.00 2.13 H new ATOM 0 HB3 SER A 55 -2.695 -5.643 -7.519 1.00 2.13 H new ATOM 0 HG SER A 55 -0.347 -6.274 -6.193 1.00 2.61 H new ATOM 893 N SER A 56 0.317 -2.743 -8.904 1.00 1.07 N ATOM 894 CA SER A 56 1.480 -1.900 -8.670 1.00 0.91 C ATOM 895 C SER A 56 1.123 -0.412 -8.698 1.00 0.80 C ATOM 896 O SER A 56 0.573 0.087 -9.679 1.00 0.93 O ATOM 897 CB SER A 56 2.544 -2.187 -9.733 1.00 1.09 C ATOM 898 OG SER A 56 2.935 -3.555 -9.731 1.00 1.73 O ATOM 0 H SER A 56 -0.361 -2.358 -9.562 1.00 1.07 H new ATOM 0 HA SER A 56 1.864 -2.134 -7.677 1.00 0.91 H new ATOM 0 HB2 SER A 56 2.157 -1.921 -10.716 1.00 1.09 H new ATOM 0 HB3 SER A 56 3.417 -1.559 -9.553 1.00 1.09 H new ATOM 0 HG SER A 56 3.614 -3.702 -10.423 1.00 1.73 H new ATOM 904 N ILE A 57 1.459 0.291 -7.623 1.00 0.68 N ATOM 905 CA ILE A 57 1.213 1.721 -7.516 1.00 0.67 C ATOM 906 C ILE A 57 2.525 2.430 -7.237 1.00 0.63 C ATOM 907 O ILE A 57 3.335 1.938 -6.459 1.00 0.81 O ATOM 908 CB ILE A 57 0.180 2.031 -6.403 1.00 0.76 C ATOM 909 CG1 ILE A 57 -1.223 1.639 -6.876 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.218 3.502 -5.998 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.735 2.482 -8.030 1.00 0.81 C ATOM 0 H ILE A 57 1.909 -0.115 -6.803 1.00 0.68 H new ATOM 0 HA ILE A 57 0.796 2.079 -8.457 1.00 0.67 H new ATOM 0 HB ILE A 57 0.440 1.444 -5.522 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -1.216 0.592 -7.178 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.916 1.725 -6.039 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.519 3.683 -5.216 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.211 3.751 -5.625 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.011 4.124 -6.863 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.733 2.147 -8.311 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.775 3.528 -7.726 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.064 2.377 -8.883 1.00 0.81 H new ATOM 923 N ARG A 58 2.719 3.600 -7.829 1.00 0.66 N ATOM 924 CA ARG A 58 3.928 4.372 -7.586 1.00 0.73 C ATOM 925 C ARG A 58 3.553 5.737 -7.048 1.00 0.75 C ATOM 926 O ARG A 58 2.647 6.391 -7.574 1.00 0.91 O ATOM 927 CB ARG A 58 4.811 4.527 -8.839 1.00 0.96 C ATOM 928 CG ARG A 58 4.364 5.582 -9.831 1.00 1.24 C ATOM 929 CD ARG A 58 3.096 5.187 -10.569 1.00 1.86 C ATOM 930 NE ARG A 58 3.331 4.120 -11.538 1.00 2.47 N ATOM 931 CZ ARG A 58 4.087 4.260 -12.626 1.00 2.95 C ATOM 932 NH1 ARG A 58 4.278 5.474 -13.130 1.00 3.22 N ATOM 933 NH2 ARG A 58 4.253 3.216 -13.418 1.00 3.70 N ATOM 0 H ARG A 58 2.060 4.033 -8.476 1.00 0.66 H new ATOM 0 HA ARG A 58 4.519 3.821 -6.855 1.00 0.73 H new ATOM 0 HB2 ARG A 58 5.826 4.762 -8.519 1.00 0.96 H new ATOM 0 HB3 ARG A 58 4.853 3.566 -9.352 1.00 0.96 H new ATOM 0 HG2 ARG A 58 4.197 6.522 -9.306 1.00 1.24 H new ATOM 0 HG3 ARG A 58 5.161 5.758 -10.553 1.00 1.24 H new ATOM 0 HD2 ARG A 58 2.345 4.862 -9.849 1.00 1.86 H new ATOM 0 HD3 ARG A 58 2.690 6.059 -11.082 1.00 1.86 H new ATOM 0 HE ARG A 58 2.891 3.215 -11.372 1.00 2.47 H new ATOM 0 HH11 ARG A 58 3.848 6.285 -12.684 1.00 3.22 H new ATOM 0 HH12 ARG A 58 4.855 5.596 -13.963 1.00 3.22 H new ATOM 0 HH21 ARG A 58 3.807 2.327 -13.191 1.00 3.70 H new ATOM 0 HH22 ARG A 58 4.827 3.298 -14.257 1.00 3.70 H new ATOM 947 N LEU A 59 4.208 6.166 -5.987 1.00 0.85 N ATOM 948 CA LEU A 59 3.914 7.446 -5.379 1.00 1.02 C ATOM 949 C LEU A 59 4.688 8.534 -6.096 1.00 1.15 C ATOM 950 O LEU A 59 5.299 9.408 -5.481 1.00 1.59 O ATOM 951 CB LEU A 59 4.294 7.388 -3.901 1.00 1.28 C ATOM 952 CG LEU A 59 3.847 6.112 -3.190 1.00 1.35 C ATOM 953 CD1 LEU A 59 4.678 5.851 -1.941 1.00 1.79 C ATOM 954 CD2 LEU A 59 2.367 6.186 -2.872 1.00 1.35 C ATOM 0 H LEU A 59 4.952 5.642 -5.527 1.00 0.85 H new ATOM 0 HA LEU A 59 2.851 7.672 -5.461 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.376 7.480 -3.812 1.00 1.28 H new ATOM 0 HB3 LEU A 59 3.858 8.247 -3.391 1.00 1.28 H new ATOM 0 HG LEU A 59 4.011 5.267 -3.859 1.00 1.35 H new ATOM 0 HD11 LEU A 59 4.334 4.936 -1.459 1.00 1.79 H new ATOM 0 HD12 LEU A 59 5.727 5.743 -2.218 1.00 1.79 H new ATOM 0 HD13 LEU A 59 4.569 6.687 -1.250 1.00 1.79 H new ATOM 0 HD21 LEU A 59 2.058 5.272 -2.365 1.00 1.35 H new ATOM 0 HD22 LEU A 59 2.176 7.042 -2.225 1.00 1.35 H new ATOM 0 HD23 LEU A 59 1.801 6.297 -3.797 1.00 1.35 H new ATOM 966 N ASP A 60 4.633 8.468 -7.410 1.00 1.13 N ATOM 967 CA ASP A 60 5.297 9.429 -8.261 1.00 1.33 C ATOM 968 C ASP A 60 4.293 10.447 -8.748 1.00 1.33 C ATOM 969 O ASP A 60 4.483 11.649 -8.576 1.00 1.56 O ATOM 970 CB ASP A 60 5.952 8.752 -9.458 1.00 1.46 C ATOM 971 CG ASP A 60 6.505 9.753 -10.450 1.00 1.90 C ATOM 972 OD1 ASP A 60 7.428 10.518 -10.088 1.00 2.52 O ATOM 973 OD2 ASP A 60 6.011 9.787 -11.596 1.00 2.27 O ATOM 0 H ASP A 60 4.125 7.744 -7.918 1.00 1.13 H new ATOM 0 HA ASP A 60 6.077 9.918 -7.677 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.757 8.104 -9.111 1.00 1.46 H new ATOM 0 HB3 ASP A 60 5.222 8.114 -9.957 1.00 1.46 H new ATOM 978 N LYS A 61 3.216 9.956 -9.345 1.00 1.22 N ATOM 979 CA LYS A 61 2.162 10.830 -9.847 1.00 1.28 C ATOM 980 C LYS A 61 0.801 10.169 -9.681 1.00 1.06 C ATOM 981 O LYS A 61 0.263 9.593 -10.622 1.00 1.27 O ATOM 982 CB LYS A 61 2.398 11.185 -11.321 1.00 1.60 C ATOM 983 CG LYS A 61 3.618 12.066 -11.536 1.00 1.93 C ATOM 984 CD LYS A 61 3.926 12.290 -13.005 1.00 2.55 C ATOM 985 CE LYS A 61 5.121 13.227 -13.180 1.00 3.16 C ATOM 986 NZ LYS A 61 6.374 12.678 -12.580 1.00 3.92 N ATOM 0 H LYS A 61 3.048 8.961 -9.494 1.00 1.22 H new ATOM 0 HA LYS A 61 2.182 11.751 -9.264 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.516 10.266 -11.895 1.00 1.60 H new ATOM 0 HB3 LYS A 61 1.517 11.694 -11.711 1.00 1.60 H new ATOM 0 HG2 LYS A 61 3.456 13.029 -11.052 1.00 1.93 H new ATOM 0 HG3 LYS A 61 4.482 11.608 -11.053 1.00 1.93 H new ATOM 0 HD2 LYS A 61 4.136 11.334 -13.486 1.00 2.55 H new ATOM 0 HD3 LYS A 61 3.053 12.712 -13.503 1.00 2.55 H new ATOM 0 HE2 LYS A 61 5.281 13.411 -14.242 1.00 3.16 H new ATOM 0 HE3 LYS A 61 4.894 14.189 -12.721 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 6.628 13.234 -11.738 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 6.223 11.686 -12.307 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 7.145 12.732 -13.276 1.00 3.92 H new ATOM 1000 N TYR A 62 0.250 10.255 -8.484 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.052 9.664 -8.199 1.00 0.69 C ATOM 1002 C TYR A 62 -1.874 10.624 -7.337 1.00 0.67 C ATOM 1003 O TYR A 62 -1.346 11.613 -6.830 1.00 0.83 O ATOM 1004 CB TYR A 62 -0.877 8.314 -7.485 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.597 8.439 -5.998 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.671 8.769 -5.520 1.00 1.46 C ATOM 1007 CD2 TYR A 62 -1.619 8.255 -5.073 1.00 1.49 C ATOM 1008 CE1 TYR A 62 0.905 8.904 -4.159 1.00 1.79 C ATOM 1009 CE2 TYR A 62 -1.390 8.396 -3.721 1.00 1.84 C ATOM 1010 CZ TYR A 62 -0.131 8.718 -3.269 1.00 1.66 C ATOM 1011 OH TYR A 62 0.081 8.881 -1.917 1.00 2.21 O ATOM 0 H TYR A 62 0.682 10.728 -7.690 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.581 9.490 -9.136 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -1.779 7.719 -7.627 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.059 7.769 -7.955 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.481 8.921 -6.218 1.00 1.46 H new ATOM 0 HD2 TYR A 62 -2.609 7.997 -5.420 1.00 1.49 H new ATOM 0 HE1 TYR A 62 1.892 9.153 -3.799 1.00 1.79 H new ATOM 0 HE2 TYR A 62 -2.197 8.254 -3.018 1.00 1.84 H new ATOM 0 HH TYR A 62 0.528 8.086 -1.558 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.145 10.312 -7.136 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.002 11.133 -6.297 1.00 0.73 C ATOM 1023 C ASN A 63 -4.699 10.212 -5.324 1.00 0.64 C ATOM 1024 O ASN A 63 -5.281 9.217 -5.726 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.031 11.915 -7.119 1.00 0.89 C ATOM 1026 CG ASN A 63 -5.729 13.003 -6.315 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -6.428 12.730 -5.340 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -5.549 14.249 -6.727 1.00 2.13 N ATOM 0 H ASN A 63 -3.605 9.497 -7.542 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.396 11.873 -5.774 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -4.535 12.367 -7.978 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -5.778 11.224 -7.510 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -5.997 15.020 -6.231 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -4.962 14.438 -7.540 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.603 10.510 -4.052 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.210 9.662 -3.048 1.00 0.70 C ATOM 1037 C ILE A 64 -6.318 10.389 -2.301 1.00 0.79 C ATOM 1038 O ILE A 64 -6.263 11.601 -2.109 1.00 1.00 O ATOM 1039 CB ILE A 64 -4.156 9.142 -2.047 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.764 8.077 -1.140 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.584 10.288 -1.223 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.739 7.409 -0.258 1.00 1.18 C ATOM 0 H ILE A 64 -4.114 11.327 -3.686 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.648 8.811 -3.570 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.340 8.690 -2.610 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -5.533 8.533 -0.516 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.257 7.322 -1.753 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.843 9.899 -0.524 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -3.112 11.013 -1.886 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -4.387 10.773 -0.668 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.228 6.661 0.366 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -2.984 6.927 -0.879 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.263 8.156 0.377 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.312 9.623 -1.889 1.00 0.69 N ATOM 1055 CA ARG A 65 -8.460 10.125 -1.150 1.00 0.80 C ATOM 1056 C ARG A 65 -8.829 9.125 -0.051 1.00 0.68 C ATOM 1057 O ARG A 65 -7.988 8.330 0.369 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.661 10.308 -2.082 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.412 11.263 -3.235 1.00 1.24 C ATOM 1060 CD ARG A 65 -9.137 12.663 -2.733 1.00 1.78 C ATOM 1061 NE ARG A 65 -10.310 13.249 -2.101 1.00 2.20 N ATOM 1062 CZ ARG A 65 -10.281 14.372 -1.394 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -9.122 14.861 -0.979 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -11.404 14.864 -0.907 1.00 3.57 N ATOM 0 H ARG A 65 -7.346 8.618 -2.060 1.00 0.69 H new ATOM 0 HA ARG A 65 -8.201 11.089 -0.712 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.946 9.336 -2.485 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -10.507 10.672 -1.499 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.566 10.912 -3.825 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -10.279 11.274 -3.896 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -8.313 12.638 -2.019 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -8.819 13.292 -3.565 1.00 1.78 H new ATOM 0 HE ARG A 65 -11.204 12.770 -2.207 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.254 14.375 -1.203 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -9.098 15.724 -0.436 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -12.287 14.382 -1.075 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -11.389 15.727 -0.363 1.00 3.57 H new ATOM 1078 N GLN A 66 -10.079 9.162 0.403 1.00 0.82 N ATOM 1079 CA GLN A 66 -10.559 8.259 1.447 1.00 0.83 C ATOM 1080 C GLN A 66 -12.072 8.438 1.607 1.00 0.99 C ATOM 1081 O GLN A 66 -12.611 9.498 1.296 1.00 1.30 O ATOM 1082 CB GLN A 66 -9.822 8.556 2.757 1.00 0.97 C ATOM 1083 CG GLN A 66 -10.024 9.984 3.227 1.00 1.30 C ATOM 1084 CD GLN A 66 -9.408 10.252 4.581 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -9.821 9.677 5.586 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -8.414 11.125 4.620 1.00 2.45 N ATOM 0 H GLN A 66 -10.784 9.814 0.061 1.00 0.82 H new ATOM 0 HA GLN A 66 -10.360 7.223 1.174 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -10.170 7.870 3.529 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -8.757 8.369 2.621 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -9.591 10.666 2.495 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -11.092 10.199 3.271 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -8.101 11.580 3.763 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -7.961 11.342 5.507 1.00 2.45 H new ATOM 1095 N HIS A 67 -12.756 7.417 2.090 1.00 0.94 N ATOM 1096 CA HIS A 67 -14.196 7.495 2.281 1.00 1.14 C ATOM 1097 C HIS A 67 -14.549 6.980 3.659 1.00 1.30 C ATOM 1098 O HIS A 67 -14.300 5.825 3.964 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.937 6.705 1.199 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.819 7.318 -0.163 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -15.134 8.633 -0.438 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -14.382 6.793 -1.328 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.895 8.886 -1.711 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.438 7.785 -2.272 1.00 1.61 N ATOM 0 H HIS A 67 -12.340 6.525 2.357 1.00 0.94 H new ATOM 0 HA HIS A 67 -14.508 8.536 2.198 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.546 5.688 1.168 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.991 6.633 1.468 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -14.049 5.778 -1.487 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -15.048 9.833 -2.208 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -14.169 7.687 -3.251 1.00 1.61 H new ATOM 1113 N THR A 68 -15.096 7.842 4.491 1.00 1.74 N ATOM 1114 CA THR A 68 -15.446 7.468 5.851 1.00 2.04 C ATOM 1115 C THR A 68 -16.958 7.286 5.991 1.00 1.92 C ATOM 1116 O THR A 68 -17.536 6.396 5.362 1.00 2.16 O ATOM 1117 CB THR A 68 -14.932 8.544 6.793 1.00 2.74 C ATOM 1118 OG1 THR A 68 -15.272 9.830 6.293 1.00 3.12 O ATOM 1119 CG2 THR A 68 -13.434 8.489 6.979 1.00 3.23 C ATOM 0 H THR A 68 -15.309 8.810 4.251 1.00 1.74 H new ATOM 0 HA THR A 68 -14.984 6.514 6.104 1.00 2.04 H new ATOM 0 HB THR A 68 -15.403 8.361 7.759 1.00 2.74 H new ATOM 0 HG1 THR A 68 -14.939 10.518 6.906 1.00 3.12 H new ATOM 0 HG21 THR A 68 -13.123 9.280 7.661 1.00 3.23 H new ATOM 0 HG22 THR A 68 -13.154 7.521 7.394 1.00 3.23 H new ATOM 0 HG23 THR A 68 -12.942 8.626 6.016 1.00 3.23 H new ATOM 1127 N THR A 69 -17.583 8.149 6.805 1.00 2.34 N ATOM 1128 CA THR A 69 -19.027 8.139 7.037 1.00 2.58 C ATOM 1129 C THR A 69 -19.487 6.889 7.824 1.00 2.35 C ATOM 1130 O THR A 69 -19.979 7.004 8.948 1.00 2.76 O ATOM 1131 CB THR A 69 -19.756 8.286 5.693 1.00 3.11 C ATOM 1132 OG1 THR A 69 -19.339 9.477 5.035 1.00 3.61 O ATOM 1133 CG2 THR A 69 -21.261 8.333 5.822 1.00 3.69 C ATOM 0 H THR A 69 -17.093 8.878 7.323 1.00 2.34 H new ATOM 0 HA THR A 69 -19.286 8.988 7.669 1.00 2.58 H new ATOM 0 HB THR A 69 -19.493 7.397 5.120 1.00 3.11 H new ATOM 0 HG1 THR A 69 -19.809 9.559 4.179 1.00 3.61 H new ATOM 0 HG21 THR A 69 -21.708 8.438 4.833 1.00 3.69 H new ATOM 0 HG22 THR A 69 -21.615 7.412 6.285 1.00 3.69 H new ATOM 0 HG23 THR A 69 -21.547 9.183 6.441 1.00 3.69 H new ATOM 1141 N ASP A 70 -19.304 5.708 7.245 1.00 2.34 N ATOM 1142 CA ASP A 70 -19.672 4.451 7.894 1.00 2.43 C ATOM 1143 C ASP A 70 -18.475 3.510 7.905 1.00 2.17 C ATOM 1144 O ASP A 70 -18.106 2.962 8.941 1.00 2.45 O ATOM 1145 CB ASP A 70 -20.883 3.774 7.213 1.00 3.01 C ATOM 1146 CG ASP A 70 -20.714 3.520 5.721 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -19.795 4.098 5.107 1.00 3.96 O ATOM 1148 OD2 ASP A 70 -21.517 2.753 5.148 1.00 4.26 O ATOM 0 H ASP A 70 -18.898 5.593 6.316 1.00 2.34 H new ATOM 0 HA ASP A 70 -19.969 4.680 8.918 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -21.077 2.823 7.710 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -21.763 4.399 7.364 1.00 3.01 H new ATOM 1153 N GLU A 71 -17.875 3.343 6.745 1.00 2.04 N ATOM 1154 CA GLU A 71 -16.719 2.486 6.588 1.00 2.00 C ATOM 1155 C GLU A 71 -15.536 3.310 6.111 1.00 1.55 C ATOM 1156 O GLU A 71 -15.455 3.676 4.941 1.00 1.90 O ATOM 1157 CB GLU A 71 -17.051 1.352 5.620 1.00 2.69 C ATOM 1158 CG GLU A 71 -17.639 0.129 6.311 1.00 3.30 C ATOM 1159 CD GLU A 71 -16.561 -0.766 6.866 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -15.635 -0.246 7.517 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -16.600 -1.985 6.621 1.00 4.50 O ATOM 0 H GLU A 71 -18.176 3.798 5.883 1.00 2.04 H new ATOM 0 HA GLU A 71 -16.449 2.039 7.545 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -17.758 1.715 4.874 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -16.146 1.061 5.087 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -18.299 0.448 7.118 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -18.249 -0.431 5.603 1.00 3.30 H new ATOM 1168 N ASP A 72 -14.657 3.634 7.052 1.00 1.31 N ATOM 1169 CA ASP A 72 -13.478 4.463 6.793 1.00 1.10 C ATOM 1170 C ASP A 72 -12.450 3.741 5.935 1.00 0.90 C ATOM 1171 O ASP A 72 -11.564 3.062 6.458 1.00 1.26 O ATOM 1172 CB ASP A 72 -12.808 4.888 8.111 1.00 1.58 C ATOM 1173 CG ASP A 72 -13.794 5.343 9.164 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -14.580 4.501 9.644 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -13.784 6.542 9.523 1.00 2.64 O ATOM 0 H ASP A 72 -14.739 3.329 8.022 1.00 1.31 H new ATOM 0 HA ASP A 72 -13.830 5.342 6.253 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -12.229 4.051 8.503 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -12.104 5.696 7.909 1.00 1.58 H new ATOM 1180 N THR A 73 -12.574 3.861 4.624 1.00 0.74 N ATOM 1181 CA THR A 73 -11.665 3.209 3.695 1.00 0.65 C ATOM 1182 C THR A 73 -10.785 4.230 2.968 1.00 0.60 C ATOM 1183 O THR A 73 -11.240 5.320 2.631 1.00 0.79 O ATOM 1184 CB THR A 73 -12.496 2.412 2.674 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.286 1.414 3.316 1.00 0.89 O ATOM 1186 CG2 THR A 73 -11.674 1.727 1.603 1.00 0.94 C ATOM 0 H THR A 73 -13.305 4.411 4.174 1.00 0.74 H new ATOM 0 HA THR A 73 -11.006 2.543 4.252 1.00 0.65 H new ATOM 0 HB THR A 73 -13.122 3.163 2.193 1.00 0.79 H new ATOM 0 HG1 THR A 73 -13.805 0.925 2.644 1.00 0.89 H new ATOM 0 HG21 THR A 73 -12.336 1.188 0.925 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.111 2.474 1.043 1.00 0.94 H new ATOM 0 HG23 THR A 73 -10.982 1.025 2.069 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.543 3.863 2.690 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.647 4.744 1.959 1.00 0.52 C ATOM 1196 C ILE A 74 -8.817 4.447 0.481 1.00 0.50 C ATOM 1197 O ILE A 74 -8.862 3.282 0.087 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.174 4.548 2.383 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -7.001 4.852 3.874 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.247 5.415 1.549 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.349 6.276 4.254 1.00 0.99 C ATOM 0 H ILE A 74 -9.135 2.967 2.958 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.898 5.782 2.179 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.907 3.506 2.209 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.627 4.170 4.449 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.968 4.653 4.158 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.217 5.258 1.868 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.346 5.147 0.497 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.512 6.464 1.682 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -7.201 6.413 5.325 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.706 6.966 3.708 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -8.391 6.475 4.003 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.977 5.476 -0.335 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.210 5.265 -1.757 1.00 0.45 C ATOM 1215 C VAL A 75 -8.354 6.185 -2.615 1.00 0.46 C ATOM 1216 O VAL A 75 -8.497 7.395 -2.554 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.704 5.511 -2.104 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -10.907 5.595 -3.609 1.00 1.19 C ATOM 1219 CG2 VAL A 75 -11.595 4.438 -1.496 1.00 0.61 C ATOM 0 H VAL A 75 -8.951 6.453 -0.044 1.00 0.42 H new ATOM 0 HA VAL A 75 -8.938 4.232 -1.972 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.991 6.469 -1.670 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -11.961 5.768 -3.825 1.00 1.19 H new ATOM 0 HG12 VAL A 75 -10.315 6.417 -4.011 1.00 1.19 H new ATOM 0 HG13 VAL A 75 -10.590 4.660 -4.072 1.00 1.19 H new ATOM 0 HG21 VAL A 75 -12.634 4.638 -1.756 1.00 0.61 H new ATOM 0 HG22 VAL A 75 -11.305 3.461 -1.884 1.00 0.61 H new ATOM 0 HG23 VAL A 75 -11.485 4.445 -0.412 1.00 0.61 H new ATOM 1229 N LEU A 76 -7.498 5.612 -3.449 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.678 6.422 -4.342 1.00 0.58 C ATOM 1231 C LEU A 76 -7.384 6.528 -5.687 1.00 0.59 C ATOM 1232 O LEU A 76 -8.028 5.579 -6.141 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.245 5.892 -4.477 1.00 0.74 C ATOM 1234 CG LEU A 76 -5.131 4.415 -4.769 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -3.882 4.140 -5.587 1.00 1.04 C ATOM 1236 CD2 LEU A 76 -5.148 3.606 -3.477 1.00 0.75 C ATOM 0 H LEU A 76 -7.353 4.605 -3.527 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.568 7.418 -3.912 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -4.744 6.443 -5.273 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.707 6.106 -3.554 1.00 0.74 H new ATOM 0 HG LEU A 76 -5.994 4.103 -5.357 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -3.809 3.072 -5.792 1.00 1.04 H new ATOM 0 HD12 LEU A 76 -3.936 4.687 -6.528 1.00 1.04 H new ATOM 0 HD13 LEU A 76 -3.003 4.463 -5.029 1.00 1.04 H new ATOM 0 HD21 LEU A 76 -5.065 2.545 -3.711 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -4.309 3.906 -2.849 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -6.082 3.788 -2.946 1.00 0.75 H new ATOM 1248 N GLN A 77 -7.305 7.700 -6.293 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.983 7.965 -7.547 1.00 0.74 C ATOM 1250 C GLN A 77 -7.043 7.984 -8.739 1.00 0.78 C ATOM 1251 O GLN A 77 -5.872 8.360 -8.620 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.713 9.306 -7.457 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.969 9.264 -6.598 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.986 8.251 -7.096 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -10.786 7.042 -7.000 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -12.085 8.743 -7.645 1.00 2.03 N ATOM 0 H GLN A 77 -6.771 8.490 -5.931 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.687 7.149 -7.707 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.031 10.054 -7.052 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.982 9.631 -8.462 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -9.694 9.022 -5.571 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -10.426 10.253 -6.581 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -12.216 9.753 -7.707 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -12.801 8.113 -8.006 1.00 2.03 H new ATOM 1265 N PRO A 78 -7.564 7.609 -9.920 1.00 0.85 N ATOM 1266 CA PRO A 78 -6.787 7.617 -11.145 1.00 0.99 C ATOM 1267 C PRO A 78 -6.588 9.043 -11.657 1.00 1.02 C ATOM 1268 O PRO A 78 -7.395 9.547 -12.443 1.00 1.34 O ATOM 1269 CB PRO A 78 -7.630 6.785 -12.119 1.00 1.43 C ATOM 1270 CG PRO A 78 -9.034 6.865 -11.623 1.00 1.60 C ATOM 1271 CD PRO A 78 -8.970 7.195 -10.151 1.00 1.20 C ATOM 0 HA PRO A 78 -5.784 7.212 -11.013 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -7.552 7.176 -13.134 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -7.285 5.751 -12.148 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -9.590 7.630 -12.165 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -9.553 5.920 -11.783 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -9.666 7.994 -9.893 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -9.235 6.332 -9.540 1.00 1.20 H new ATOM 1279 N GLN A 79 -5.519 9.698 -11.188 1.00 1.17 N ATOM 1280 CA GLN A 79 -5.218 11.072 -11.581 1.00 1.56 C ATOM 1281 C GLN A 79 -5.048 11.158 -13.090 1.00 1.66 C ATOM 1282 O GLN A 79 -5.304 12.192 -13.703 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.966 11.586 -10.845 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.660 10.907 -11.242 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.888 11.664 -12.311 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -0.865 11.191 -12.797 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -2.367 12.846 -12.679 1.00 3.46 N ATOM 0 H GLN A 79 -4.849 9.294 -10.534 1.00 1.17 H new ATOM 0 HA GLN A 79 -6.053 11.712 -11.296 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -3.871 12.657 -11.026 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.114 11.456 -9.773 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -2.032 10.799 -10.358 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -2.877 9.902 -11.604 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -3.221 13.206 -12.252 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -1.882 13.394 -13.389 1.00 3.46 H new ATOM 1296 N GLU A 80 -4.658 10.050 -13.691 1.00 1.50 N ATOM 1297 CA GLU A 80 -4.496 9.967 -15.119 1.00 1.81 C ATOM 1298 C GLU A 80 -4.961 8.581 -15.554 1.00 1.62 C ATOM 1299 O GLU A 80 -4.897 7.647 -14.756 1.00 1.78 O ATOM 1300 CB GLU A 80 -3.037 10.209 -15.509 1.00 2.37 C ATOM 1301 CG GLU A 80 -2.884 11.085 -16.743 1.00 3.06 C ATOM 1302 CD GLU A 80 -1.466 11.143 -17.261 1.00 3.86 C ATOM 1303 OE1 GLU A 80 -0.561 11.551 -16.506 1.00 4.42 O ATOM 1304 OE2 GLU A 80 -1.256 10.785 -18.440 1.00 4.35 O ATOM 0 H GLU A 80 -4.446 9.184 -13.196 1.00 1.50 H new ATOM 0 HA GLU A 80 -5.089 10.733 -15.619 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -2.517 10.676 -14.673 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -2.552 9.250 -15.690 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -3.536 10.708 -17.531 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -3.219 12.095 -16.507 1.00 3.06 H new ATOM 1311 N PRO A 81 -5.467 8.435 -16.796 1.00 1.93 N ATOM 1312 CA PRO A 81 -5.973 7.146 -17.308 1.00 2.28 C ATOM 1313 C PRO A 81 -4.986 5.988 -17.154 1.00 2.24 C ATOM 1314 O PRO A 81 -5.383 4.820 -17.190 1.00 2.80 O ATOM 1315 CB PRO A 81 -6.230 7.420 -18.793 1.00 2.89 C ATOM 1316 CG PRO A 81 -6.436 8.891 -18.895 1.00 3.10 C ATOM 1317 CD PRO A 81 -5.628 9.519 -17.790 1.00 2.53 C ATOM 0 HA PRO A 81 -6.853 6.830 -16.748 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -5.386 7.098 -19.403 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -7.105 6.875 -19.147 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -6.113 9.260 -19.868 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -7.492 9.142 -18.793 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -4.663 9.872 -18.154 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -6.141 10.380 -17.361 1.00 2.53 H new ATOM 1325 N GLY A 82 -3.706 6.310 -16.989 1.00 1.99 N ATOM 1326 CA GLY A 82 -2.684 5.287 -16.831 1.00 2.10 C ATOM 1327 C GLY A 82 -2.525 4.836 -15.393 1.00 1.96 C ATOM 1328 O GLY A 82 -1.851 3.847 -15.115 1.00 2.51 O ATOM 0 H GLY A 82 -3.356 7.268 -16.962 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -2.938 4.427 -17.451 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -1.731 5.672 -17.194 1.00 2.10 H new ATOM 1332 N LEU A 83 -3.153 5.560 -14.483 1.00 1.57 N ATOM 1333 CA LEU A 83 -3.094 5.239 -13.067 1.00 1.40 C ATOM 1334 C LEU A 83 -4.371 4.483 -12.661 1.00 1.22 C ATOM 1335 O LEU A 83 -5.478 4.932 -12.943 1.00 1.13 O ATOM 1336 CB LEU A 83 -2.934 6.542 -12.272 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.167 6.445 -10.946 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -2.980 5.704 -9.896 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -0.801 5.789 -11.148 1.00 1.26 C ATOM 0 H LEU A 83 -3.715 6.382 -14.702 1.00 1.57 H new ATOM 0 HA LEU A 83 -2.241 4.595 -12.853 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -2.427 7.269 -12.907 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.928 6.939 -12.063 1.00 1.31 H new ATOM 0 HG LEU A 83 -2.000 7.459 -10.583 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -2.412 5.650 -8.967 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -3.916 6.234 -9.719 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -3.196 4.695 -10.248 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -0.279 5.733 -10.193 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -0.936 4.784 -11.547 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -0.213 6.382 -11.848 1.00 1.26 H new ATOM 1351 N PRO A 84 -4.235 3.310 -12.023 1.00 1.33 N ATOM 1352 CA PRO A 84 -5.386 2.489 -11.611 1.00 1.29 C ATOM 1353 C PRO A 84 -6.046 2.990 -10.326 1.00 1.09 C ATOM 1354 O PRO A 84 -5.470 3.789 -9.591 1.00 1.15 O ATOM 1355 CB PRO A 84 -4.766 1.106 -11.407 1.00 1.58 C ATOM 1356 CG PRO A 84 -3.342 1.372 -11.043 1.00 1.75 C ATOM 1357 CD PRO A 84 -2.953 2.678 -11.679 1.00 1.64 C ATOM 0 HA PRO A 84 -6.188 2.509 -12.348 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -5.279 0.556 -10.618 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -4.836 0.504 -12.313 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -3.225 1.422 -9.960 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -2.698 0.566 -11.396 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -2.375 3.298 -10.993 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -2.336 2.521 -12.564 1.00 1.64 H new ATOM 1365 N SER A 85 -7.262 2.531 -10.068 1.00 0.99 N ATOM 1366 CA SER A 85 -7.989 2.951 -8.885 1.00 0.88 C ATOM 1367 C SER A 85 -8.497 1.749 -8.095 1.00 0.63 C ATOM 1368 O SER A 85 -8.999 0.783 -8.675 1.00 0.82 O ATOM 1369 CB SER A 85 -9.149 3.863 -9.282 1.00 1.23 C ATOM 1370 OG SER A 85 -9.900 3.322 -10.362 1.00 1.43 O ATOM 0 H SER A 85 -7.763 1.870 -10.662 1.00 0.99 H new ATOM 0 HA SER A 85 -7.307 3.506 -8.241 1.00 0.88 H new ATOM 0 HB2 SER A 85 -9.803 4.013 -8.423 1.00 1.23 H new ATOM 0 HB3 SER A 85 -8.762 4.842 -9.563 1.00 1.23 H new ATOM 0 HG SER A 85 -10.634 3.931 -10.587 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.412 1.839 -6.773 1.00 0.53 N ATOM 1377 CA PHE A 86 -8.912 0.791 -5.890 1.00 0.64 C ATOM 1378 C PHE A 86 -9.139 1.359 -4.490 1.00 0.57 C ATOM 1379 O PHE A 86 -8.816 2.518 -4.227 1.00 0.63 O ATOM 1380 CB PHE A 86 -7.988 -0.441 -5.861 1.00 1.04 C ATOM 1381 CG PHE A 86 -6.692 -0.259 -5.115 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -5.686 0.552 -5.618 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -6.474 -0.918 -3.915 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -4.494 0.710 -4.931 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -5.287 -0.764 -3.228 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.294 0.046 -3.734 1.00 0.75 C ATOM 0 H PHE A 86 -7.998 2.634 -6.285 1.00 0.53 H new ATOM 0 HA PHE A 86 -9.866 0.442 -6.286 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.532 -1.272 -5.412 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -7.760 -0.727 -6.888 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -5.834 1.066 -6.556 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -7.243 -1.560 -3.512 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -3.721 1.351 -5.329 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -5.136 -1.280 -2.291 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.363 0.162 -3.198 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.671 0.545 -3.594 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.916 0.977 -2.235 1.00 0.57 C ATOM 1398 C ARG A 87 -9.244 0.036 -1.260 1.00 0.57 C ATOM 1399 O ARG A 87 -9.156 -1.166 -1.511 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.413 1.036 -1.990 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.113 -0.169 -2.542 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.560 0.117 -2.847 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.129 -0.906 -3.725 1.00 1.36 N ATOM 1404 CZ ARG A 87 -15.360 -0.872 -4.224 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -16.064 0.241 -4.162 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -15.764 -1.846 -5.024 1.00 2.41 N ATOM 0 H ARG A 87 -9.941 -0.420 -3.787 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.496 1.972 -2.085 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.604 1.109 -0.919 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.822 1.936 -2.449 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -11.608 -0.499 -3.450 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -12.047 -0.988 -1.826 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -14.128 0.159 -1.918 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -13.648 1.095 -3.320 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.539 -1.701 -3.971 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -15.664 1.074 -3.731 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -17.009 0.269 -4.545 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.132 -2.614 -5.252 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -16.707 -1.829 -5.412 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.758 0.583 -0.160 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.089 -0.206 0.854 1.00 0.54 C ATOM 1422 C ILE A 88 -8.575 0.164 2.240 1.00 0.59 C ATOM 1423 O ILE A 88 -8.315 1.265 2.729 1.00 0.68 O ATOM 1424 CB ILE A 88 -6.560 -0.060 0.800 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.170 1.328 0.282 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -5.970 -1.170 -0.050 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.697 1.635 0.381 1.00 0.74 C ATOM 0 H ILE A 88 -8.816 1.579 0.053 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.339 -1.246 0.642 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.150 -0.153 1.806 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.478 1.414 -0.760 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.725 2.081 0.842 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -4.886 -1.063 -0.086 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.225 -2.136 0.385 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.374 -1.109 -1.060 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.507 2.636 -0.007 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.384 1.584 1.424 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.134 0.907 -0.203 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.299 -0.756 2.872 1.00 0.62 N ATOM 1440 CA LYS A 89 -9.817 -0.514 4.191 1.00 0.74 C ATOM 1441 C LYS A 89 -8.962 -1.254 5.194 1.00 0.85 C ATOM 1442 O LYS A 89 -8.511 -2.375 4.936 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.293 -0.921 4.314 1.00 0.95 C ATOM 1444 CG LYS A 89 -11.588 -2.388 4.066 1.00 1.31 C ATOM 1445 CD LYS A 89 -12.823 -2.843 4.826 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.046 -1.978 4.533 1.00 1.89 C ATOM 1447 NZ LYS A 89 -14.037 -0.650 5.233 1.00 2.46 N ATOM 0 H LYS A 89 -9.533 -1.669 2.483 1.00 0.62 H new ATOM 0 HA LYS A 89 -9.776 0.556 4.393 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -11.641 -0.662 5.314 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -11.876 -0.327 3.610 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -11.734 -2.556 2.999 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -10.731 -2.989 4.369 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -13.044 -3.878 4.566 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -12.615 -2.821 5.896 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.110 -1.810 3.458 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -14.943 -2.525 4.824 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -14.995 -0.430 5.572 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -13.384 -0.688 6.041 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -13.726 0.089 4.571 1.00 2.46 H new ATOM 1461 N PRO A 90 -8.700 -0.618 6.334 1.00 1.06 N ATOM 1462 CA PRO A 90 -7.856 -1.163 7.391 1.00 1.30 C ATOM 1463 C PRO A 90 -8.506 -2.308 8.172 1.00 1.47 C ATOM 1464 O PRO A 90 -8.579 -2.280 9.402 1.00 1.94 O ATOM 1465 CB PRO A 90 -7.594 0.051 8.297 1.00 1.59 C ATOM 1466 CG PRO A 90 -8.062 1.237 7.516 1.00 1.77 C ATOM 1467 CD PRO A 90 -9.183 0.723 6.676 1.00 1.29 C ATOM 0 HA PRO A 90 -6.951 -1.614 6.984 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -8.135 -0.038 9.239 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -6.536 0.136 8.544 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -8.397 2.038 8.175 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -7.261 1.646 6.900 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -10.125 0.693 7.223 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -9.348 1.338 5.791 1.00 1.29 H new ATOM 1475 N LYS A 91 -8.938 -3.328 7.445 1.00 1.40 N ATOM 1476 CA LYS A 91 -9.518 -4.510 8.049 1.00 1.72 C ATOM 1477 C LYS A 91 -8.695 -5.703 7.604 1.00 2.02 C ATOM 1478 O LYS A 91 -8.969 -6.339 6.585 1.00 2.48 O ATOM 1479 CB LYS A 91 -10.997 -4.682 7.684 1.00 1.95 C ATOM 1480 CG LYS A 91 -11.924 -3.740 8.441 1.00 2.50 C ATOM 1481 CD LYS A 91 -13.383 -4.000 8.099 1.00 2.94 C ATOM 1482 CE LYS A 91 -14.319 -3.170 8.965 1.00 3.58 C ATOM 1483 NZ LYS A 91 -15.753 -3.428 8.659 1.00 4.13 N ATOM 0 H LYS A 91 -8.895 -3.356 6.426 1.00 1.40 H new ATOM 0 HA LYS A 91 -9.493 -4.415 9.135 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -11.120 -4.517 6.614 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -11.295 -5.711 7.885 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -11.773 -3.863 9.513 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -11.671 -2.707 8.200 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -13.558 -3.768 7.048 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -13.605 -5.059 8.233 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -14.129 -3.391 10.015 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -14.103 -2.112 8.817 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -16.351 -2.865 9.297 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -15.951 -3.161 7.674 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -15.960 -4.438 8.792 1.00 4.13 H new ATOM 1497 N ASP A 92 -7.643 -5.943 8.356 1.00 2.34 N ATOM 1498 CA ASP A 92 -6.689 -7.005 8.071 1.00 2.92 C ATOM 1499 C ASP A 92 -7.248 -8.400 8.350 1.00 2.79 C ATOM 1500 O ASP A 92 -7.324 -9.225 7.438 1.00 3.27 O ATOM 1501 CB ASP A 92 -5.389 -6.754 8.848 1.00 3.81 C ATOM 1502 CG ASP A 92 -5.591 -6.485 10.334 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -6.569 -5.802 10.707 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -4.738 -6.912 11.133 1.00 5.11 O ATOM 0 H ASP A 92 -7.419 -5.404 9.192 1.00 2.34 H new ATOM 0 HA ASP A 92 -6.478 -6.981 7.002 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -4.737 -7.620 8.732 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -4.872 -5.904 8.403 1.00 3.81 H new ATOM 1509 N PHE A 93 -7.643 -8.676 9.590 1.00 2.71 N ATOM 1510 CA PHE A 93 -8.186 -9.994 9.922 1.00 2.95 C ATOM 1511 C PHE A 93 -8.892 -10.002 11.273 1.00 3.05 C ATOM 1512 O PHE A 93 -9.046 -8.960 11.917 1.00 3.30 O ATOM 1513 CB PHE A 93 -7.087 -11.076 9.893 1.00 3.27 C ATOM 1514 CG PHE A 93 -6.119 -11.067 11.050 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -5.327 -9.961 11.326 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -5.986 -12.192 11.850 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -4.420 -9.977 12.372 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -5.085 -12.217 12.898 1.00 5.30 C ATOM 1519 CZ PHE A 93 -4.300 -11.106 13.163 1.00 5.69 C ATOM 0 H PHE A 93 -7.600 -8.020 10.370 1.00 2.71 H new ATOM 0 HA PHE A 93 -8.927 -10.225 9.157 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -7.568 -12.053 9.855 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -6.519 -10.964 8.969 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -5.420 -9.075 10.716 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -6.595 -13.061 11.651 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -3.807 -9.110 12.570 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -4.993 -13.102 13.510 1.00 5.30 H new ATOM 0 HZ PHE A 93 -3.598 -11.121 13.983 1.00 5.69 H new ATOM 1529 N GLU A 94 -9.317 -11.204 11.669 1.00 3.44 N ATOM 1530 CA GLU A 94 -10.020 -11.452 12.923 1.00 3.96 C ATOM 1531 C GLU A 94 -9.253 -10.900 14.121 1.00 3.75 C ATOM 1532 O GLU A 94 -8.098 -11.258 14.347 1.00 4.15 O ATOM 1533 CB GLU A 94 -10.222 -12.966 13.071 1.00 4.82 C ATOM 1534 CG GLU A 94 -10.825 -13.421 14.390 1.00 5.73 C ATOM 1535 CD GLU A 94 -12.219 -12.883 14.627 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -12.357 -11.674 14.889 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -13.184 -13.667 14.550 1.00 7.20 O ATOM 0 H GLU A 94 -9.177 -12.048 11.113 1.00 3.44 H new ATOM 0 HA GLU A 94 -10.982 -10.939 12.898 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -10.864 -13.310 12.260 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -9.257 -13.458 12.944 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -10.855 -14.510 14.411 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -10.177 -13.104 15.207 1.00 5.73 H new ATOM 1544 N THR A 95 -9.923 -10.032 14.875 1.00 3.56 N ATOM 1545 CA THR A 95 -9.361 -9.403 16.065 1.00 3.57 C ATOM 1546 C THR A 95 -8.089 -8.617 15.735 1.00 3.11 C ATOM 1547 O THR A 95 -6.988 -9.168 15.660 1.00 3.46 O ATOM 1548 CB THR A 95 -9.113 -10.458 17.150 1.00 4.37 C ATOM 1549 OG1 THR A 95 -10.302 -11.207 17.390 1.00 4.92 O ATOM 1550 CG2 THR A 95 -8.672 -9.862 18.472 1.00 4.79 C ATOM 0 H THR A 95 -10.881 -9.743 14.674 1.00 3.56 H new ATOM 0 HA THR A 95 -10.083 -8.683 16.450 1.00 3.57 H new ATOM 0 HB THR A 95 -8.311 -11.091 16.771 1.00 4.37 H new ATOM 0 HG1 THR A 95 -10.131 -11.878 18.083 1.00 4.92 H new ATOM 0 HG21 THR A 95 -8.513 -10.661 19.196 1.00 4.79 H new ATOM 0 HG22 THR A 95 -7.742 -9.311 18.331 1.00 4.79 H new ATOM 0 HG23 THR A 95 -9.443 -9.185 18.841 1.00 4.79 H new ATOM 1558 N SER A 96 -8.253 -7.309 15.558 1.00 2.83 N ATOM 1559 CA SER A 96 -7.141 -6.434 15.250 1.00 2.92 C ATOM 1560 C SER A 96 -7.625 -4.972 15.253 1.00 2.63 C ATOM 1561 O SER A 96 -7.723 -4.360 16.316 1.00 2.95 O ATOM 1562 CB SER A 96 -6.549 -6.832 13.894 1.00 3.49 C ATOM 1563 OG SER A 96 -5.265 -6.266 13.687 1.00 4.05 O ATOM 0 H SER A 96 -9.154 -6.835 15.625 1.00 2.83 H new ATOM 0 HA SER A 96 -6.359 -6.530 16.003 1.00 2.92 H new ATOM 0 HB2 SER A 96 -6.480 -7.918 13.833 1.00 3.49 H new ATOM 0 HB3 SER A 96 -7.220 -6.510 13.097 1.00 3.49 H new ATOM 0 HG SER A 96 -4.890 -6.604 12.847 1.00 4.05 H new ATOM 1569 N GLU A 97 -7.971 -4.451 14.065 1.00 2.52 N ATOM 1570 CA GLU A 97 -8.493 -3.096 13.885 1.00 2.71 C ATOM 1571 C GLU A 97 -7.523 -1.998 14.348 1.00 2.41 C ATOM 1572 O GLU A 97 -7.806 -0.809 14.210 1.00 2.64 O ATOM 1573 CB GLU A 97 -9.831 -3.003 14.606 1.00 3.26 C ATOM 1574 CG GLU A 97 -10.551 -1.669 14.439 1.00 3.93 C ATOM 1575 CD GLU A 97 -11.953 -1.653 15.024 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -12.792 -2.486 14.608 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -12.234 -0.783 15.878 1.00 4.86 O ATOM 0 H GLU A 97 -7.893 -4.972 13.191 1.00 2.52 H new ATOM 0 HA GLU A 97 -8.623 -2.917 12.818 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -10.481 -3.799 14.243 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.669 -3.183 15.669 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -9.960 -0.886 14.914 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -10.607 -1.427 13.378 1.00 3.93 H new ATOM 1584 N TYR A 98 -6.370 -2.384 14.858 1.00 2.15 N ATOM 1585 CA TYR A 98 -5.387 -1.414 15.297 1.00 1.95 C ATOM 1586 C TYR A 98 -4.877 -0.624 14.091 1.00 1.56 C ATOM 1587 O TYR A 98 -4.688 0.593 14.158 1.00 1.45 O ATOM 1588 CB TYR A 98 -4.238 -2.120 16.018 1.00 2.16 C ATOM 1589 CG TYR A 98 -4.649 -2.771 17.322 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -5.083 -2.004 18.398 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -4.593 -4.152 17.485 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -5.441 -2.594 19.596 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -4.950 -4.746 18.681 1.00 4.46 C ATOM 1594 CZ TYR A 98 -5.367 -3.963 19.734 1.00 4.66 C ATOM 1595 OH TYR A 98 -5.717 -4.547 20.929 1.00 5.65 O ATOM 0 H TYR A 98 -6.092 -3.358 14.978 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.847 -0.718 15.999 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -3.819 -2.880 15.359 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -3.446 -1.398 16.216 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -5.141 -0.930 18.296 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -4.265 -4.770 16.663 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -5.778 -1.984 20.421 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -4.902 -5.820 18.789 1.00 4.46 H new ATOM 0 HH TYR A 98 -5.610 -5.519 20.862 1.00 5.65 H new ATOM 1605 N VAL A 99 -4.669 -1.334 12.983 1.00 1.54 N ATOM 1606 CA VAL A 99 -4.181 -0.747 11.738 1.00 1.34 C ATOM 1607 C VAL A 99 -5.139 0.328 11.209 1.00 1.17 C ATOM 1608 O VAL A 99 -4.731 1.230 10.474 1.00 1.04 O ATOM 1609 CB VAL A 99 -4.001 -1.887 10.691 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -4.192 -1.419 9.261 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -2.653 -2.555 10.873 1.00 1.91 C ATOM 0 H VAL A 99 -4.836 -2.339 12.925 1.00 1.54 H new ATOM 0 HA VAL A 99 -3.226 -0.257 11.924 1.00 1.34 H new ATOM 0 HB VAL A 99 -4.790 -2.616 10.875 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -4.053 -2.260 8.581 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -5.198 -1.017 9.141 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -3.462 -0.643 9.032 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -2.538 -3.350 10.136 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -1.861 -1.818 10.739 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -2.589 -2.978 11.876 1.00 1.91 H new ATOM 1621 N ARG A 100 -6.400 0.238 11.598 1.00 1.36 N ATOM 1622 CA ARG A 100 -7.410 1.193 11.169 1.00 1.42 C ATOM 1623 C ARG A 100 -7.055 2.624 11.553 1.00 1.31 C ATOM 1624 O ARG A 100 -7.354 3.558 10.821 1.00 1.31 O ATOM 1625 CB ARG A 100 -8.760 0.816 11.767 1.00 1.78 C ATOM 1626 CG ARG A 100 -9.927 1.586 11.183 1.00 2.37 C ATOM 1627 CD ARG A 100 -11.234 1.179 11.839 1.00 3.01 C ATOM 1628 NE ARG A 100 -12.392 1.778 11.168 1.00 3.48 N ATOM 1629 CZ ARG A 100 -13.659 1.592 11.545 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -13.957 0.639 12.408 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -14.636 2.165 10.864 1.00 4.93 N ATOM 0 H ARG A 100 -6.751 -0.494 12.216 1.00 1.36 H new ATOM 0 HA ARG A 100 -7.458 1.152 10.081 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -8.929 -0.250 11.615 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -8.729 0.984 12.844 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -9.766 2.655 11.319 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -9.984 1.407 10.109 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -11.326 0.093 11.822 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -11.224 1.482 12.886 1.00 3.01 H new ATOM 0 HE ARG A 100 -12.218 2.376 10.360 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -13.219 0.045 12.787 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -14.925 0.497 12.696 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -14.420 2.746 10.054 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -15.606 2.026 11.148 1.00 4.93 H new ATOM 1645 N LYS A 101 -6.454 2.792 12.711 1.00 1.34 N ATOM 1646 CA LYS A 101 -6.100 4.115 13.189 1.00 1.43 C ATOM 1647 C LYS A 101 -4.756 4.621 12.662 1.00 1.27 C ATOM 1648 O LYS A 101 -4.588 5.819 12.454 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.083 4.122 14.710 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.446 3.904 15.329 1.00 2.35 C ATOM 1651 CD LYS A 101 -7.381 3.939 16.846 1.00 2.61 C ATOM 1652 CE LYS A 101 -6.779 5.236 17.375 1.00 2.79 C ATOM 1653 NZ LYS A 101 -6.842 5.306 18.857 1.00 3.24 N ATOM 0 H LYS A 101 -6.199 2.031 13.340 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.861 4.795 12.805 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.404 3.345 15.062 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -5.683 5.075 15.057 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -8.134 4.672 14.976 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.845 2.944 15.003 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -8.385 3.816 17.252 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -6.788 3.096 17.201 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -5.741 5.314 17.051 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -7.312 6.085 16.948 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -6.424 6.202 19.180 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -7.834 5.256 19.165 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -6.312 4.509 19.265 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.780 3.731 12.512 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.434 4.145 12.093 1.00 1.11 C ATOM 1669 C ALA A 102 -2.091 3.881 10.625 1.00 0.99 C ATOM 1670 O ALA A 102 -0.916 3.900 10.261 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.401 3.492 12.990 1.00 1.22 C ATOM 0 H ALA A 102 -3.887 2.729 12.671 1.00 1.11 H new ATOM 0 HA ALA A 102 -2.421 5.230 12.194 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.403 3.799 12.679 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.570 3.798 14.022 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.487 2.408 12.915 1.00 1.22 H new ATOM 1677 N TRP A 103 -3.078 3.723 9.770 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.772 3.576 8.353 1.00 1.01 C ATOM 1679 C TRP A 103 -3.314 4.775 7.597 1.00 0.93 C ATOM 1680 O TRP A 103 -2.891 5.054 6.480 1.00 1.00 O ATOM 1681 CB TRP A 103 -3.224 2.251 7.750 1.00 1.40 C ATOM 1682 CG TRP A 103 -2.138 1.192 7.761 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.708 0.465 8.835 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.311 0.774 6.649 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.745 -0.444 8.442 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.480 -0.265 7.113 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.217 1.143 5.300 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.434 -0.924 6.281 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.306 0.491 4.487 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.498 -0.536 4.973 1.00 0.98 C ATOM 0 H TRP A 103 -4.068 3.693 10.013 1.00 0.97 H new ATOM 0 HA TRP A 103 -1.687 3.549 8.254 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -4.088 1.883 8.303 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.550 2.418 6.723 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.069 0.584 9.846 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.303 -1.137 9.046 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.846 1.925 4.901 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 1.067 -1.712 6.661 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.217 0.786 3.452 1.00 0.73 H new ATOM 0 HH2 TRP A 103 1.184 -1.035 4.304 1.00 0.98 H new ATOM 1701 N LEU A 104 -4.183 5.540 8.262 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.686 6.780 7.685 1.00 1.12 C ATOM 1703 C LEU A 104 -3.482 7.704 7.636 1.00 1.10 C ATOM 1704 O LEU A 104 -2.795 7.736 6.633 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.838 7.375 8.520 1.00 1.35 C ATOM 1706 CG LEU A 104 -7.235 6.827 8.211 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -7.265 5.332 8.411 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -8.291 7.495 9.087 1.00 2.27 C ATOM 0 H LEU A 104 -4.547 5.323 9.190 1.00 0.95 H new ATOM 0 HA LEU A 104 -5.114 6.623 6.695 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.625 7.201 9.575 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.850 8.455 8.371 1.00 1.35 H new ATOM 0 HG LEU A 104 -7.464 7.051 7.169 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -8.263 4.955 8.188 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -6.542 4.861 7.745 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -7.011 5.098 9.445 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -9.273 7.088 8.847 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -8.066 7.306 10.137 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -8.289 8.569 8.904 1.00 2.27 H new ATOM 1720 N ARG A 105 -3.238 8.469 8.693 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.101 9.396 8.763 1.00 1.18 C ATOM 1722 C ARG A 105 -0.860 8.896 7.996 1.00 1.08 C ATOM 1723 O ARG A 105 -0.297 9.628 7.182 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.752 9.608 10.247 1.00 1.38 C ATOM 1725 CG ARG A 105 -0.363 10.185 10.478 1.00 2.01 C ATOM 1726 CD ARG A 105 -0.254 10.895 11.817 1.00 2.29 C ATOM 1727 NE ARG A 105 -0.899 12.217 11.794 1.00 2.86 N ATOM 1728 CZ ARG A 105 -0.449 13.257 11.077 1.00 3.68 C ATOM 1729 NH1 ARG A 105 0.812 13.261 10.657 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -1.123 14.403 11.096 1.00 4.52 N ATOM 0 H ARG A 105 -3.820 8.469 9.530 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.395 10.330 8.284 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -2.490 10.275 10.692 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -1.830 8.654 10.768 1.00 1.38 H new ATOM 0 HG2 ARG A 105 0.374 9.383 10.432 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -0.124 10.884 9.677 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -0.714 10.281 12.591 1.00 2.29 H new ATOM 0 HD3 ARG A 105 0.797 11.009 12.082 1.00 2.29 H new ATOM 0 HE ARG A 105 -1.739 12.351 12.357 1.00 2.86 H new ATOM 0 HH11 ARG A 105 1.427 12.478 10.881 1.00 4.09 H new ATOM 0 HH12 ARG A 105 1.165 14.047 10.111 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -1.974 14.485 11.652 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -0.789 15.200 10.554 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.438 7.661 8.266 1.00 0.95 N ATOM 1745 CA ASP A 106 0.740 7.082 7.611 1.00 0.99 C ATOM 1746 C ASP A 106 0.619 6.979 6.090 1.00 0.96 C ATOM 1747 O ASP A 106 1.631 6.961 5.398 1.00 1.17 O ATOM 1748 CB ASP A 106 1.067 5.704 8.187 1.00 1.09 C ATOM 1749 CG ASP A 106 1.874 5.793 9.462 1.00 1.46 C ATOM 1750 OD1 ASP A 106 1.371 6.351 10.460 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.030 5.320 9.469 1.00 1.76 O ATOM 0 H ASP A 106 -0.893 7.040 8.934 1.00 0.95 H new ATOM 0 HA ASP A 106 1.552 7.779 7.819 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.140 5.165 8.383 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.622 5.126 7.448 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.598 6.911 5.560 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.778 6.816 4.118 1.00 1.04 C ATOM 1758 C ILE A 107 -0.580 8.195 3.494 1.00 1.23 C ATOM 1759 O ILE A 107 0.041 8.330 2.443 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.167 6.214 3.728 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.155 5.703 2.294 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.297 7.220 3.878 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.193 4.563 2.069 1.00 1.45 C ATOM 0 H ILE A 107 -1.463 6.920 6.100 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.029 6.128 3.727 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.345 5.389 4.417 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -3.160 5.378 2.024 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.895 6.524 1.626 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.240 6.753 3.595 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.353 7.552 4.915 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.109 8.078 3.232 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -1.237 4.250 1.026 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.181 4.889 2.307 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.465 3.725 2.711 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.111 9.221 4.158 1.00 1.25 N ATOM 1776 CA ALA A 108 -1.015 10.603 3.690 1.00 1.52 C ATOM 1777 C ALA A 108 0.403 11.160 3.740 1.00 1.59 C ATOM 1778 O ALA A 108 0.648 12.312 3.365 1.00 1.92 O ATOM 1779 CB ALA A 108 -1.910 11.470 4.531 1.00 1.62 C ATOM 0 H ALA A 108 -1.620 9.117 5.036 1.00 1.25 H new ATOM 0 HA ALA A 108 -1.324 10.606 2.645 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -1.844 12.502 4.188 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -2.940 11.124 4.443 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -1.596 11.413 5.573 1.00 1.62 H new ATOM 1785 N GLU A 109 1.322 10.352 4.214 1.00 1.39 N ATOM 1786 CA GLU A 109 2.712 10.744 4.330 1.00 1.50 C ATOM 1787 C GLU A 109 3.574 9.498 4.401 1.00 1.43 C ATOM 1788 O GLU A 109 4.484 9.385 5.224 1.00 1.70 O ATOM 1789 CB GLU A 109 2.919 11.622 5.571 1.00 1.69 C ATOM 1790 CG GLU A 109 2.500 10.953 6.877 1.00 1.73 C ATOM 1791 CD GLU A 109 2.445 11.919 8.040 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.583 12.826 8.029 1.00 2.40 O ATOM 1793 OE2 GLU A 109 3.269 11.786 8.969 1.00 2.56 O ATOM 0 H GLU A 109 1.129 9.402 4.531 1.00 1.39 H new ATOM 0 HA GLU A 109 3.000 11.329 3.457 1.00 1.50 H new ATOM 0 HB2 GLU A 109 3.971 11.899 5.637 1.00 1.69 H new ATOM 0 HB3 GLU A 109 2.353 12.546 5.449 1.00 1.69 H new ATOM 0 HG2 GLU A 109 1.520 10.493 6.746 1.00 1.73 H new ATOM 0 HG3 GLU A 109 3.200 10.151 7.110 1.00 1.73 H new ATOM 1800 N GLU A 110 3.269 8.557 3.525 1.00 1.49 N ATOM 1801 CA GLU A 110 3.999 7.314 3.475 1.00 1.63 C ATOM 1802 C GLU A 110 5.426 7.548 2.976 1.00 1.78 C ATOM 1803 O GLU A 110 6.391 7.193 3.655 1.00 2.20 O ATOM 1804 CB GLU A 110 3.247 6.255 2.628 1.00 2.09 C ATOM 1805 CG GLU A 110 3.307 6.418 1.101 1.00 2.83 C ATOM 1806 CD GLU A 110 2.629 7.665 0.556 1.00 3.38 C ATOM 1807 OE1 GLU A 110 3.093 8.786 0.864 1.00 3.86 O ATOM 1808 OE2 GLU A 110 1.665 7.533 -0.221 1.00 3.86 O ATOM 0 H GLU A 110 2.518 8.636 2.839 1.00 1.49 H new ATOM 0 HA GLU A 110 4.069 6.913 4.486 1.00 1.63 H new ATOM 0 HB2 GLU A 110 3.646 5.273 2.881 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.199 6.261 2.929 1.00 2.09 H new ATOM 0 HG2 GLU A 110 4.353 6.429 0.794 1.00 2.83 H new ATOM 0 HG3 GLU A 110 2.848 5.543 0.640 1.00 2.83 H new ATOM 1815 N GLN A 111 5.570 8.153 1.803 1.00 1.93 N ATOM 1816 CA GLN A 111 6.887 8.418 1.239 1.00 2.44 C ATOM 1817 C GLN A 111 7.646 9.469 2.057 1.00 2.84 C ATOM 1818 O GLN A 111 8.862 9.587 1.934 1.00 3.22 O ATOM 1819 CB GLN A 111 6.783 8.832 -0.222 1.00 2.97 C ATOM 1820 CG GLN A 111 7.968 8.357 -1.057 1.00 3.66 C ATOM 1821 CD GLN A 111 7.811 8.588 -2.552 1.00 4.54 C ATOM 1822 OE1 GLN A 111 8.678 8.209 -3.341 1.00 5.12 O ATOM 1823 NE2 GLN A 111 6.718 9.214 -2.955 1.00 5.02 N ATOM 0 H GLN A 111 4.791 8.469 1.225 1.00 1.93 H new ATOM 0 HA GLN A 111 7.458 7.490 1.286 1.00 2.44 H new ATOM 0 HB2 GLN A 111 5.862 8.429 -0.644 1.00 2.97 H new ATOM 0 HB3 GLN A 111 6.713 9.918 -0.283 1.00 2.97 H new ATOM 0 HG2 GLN A 111 8.868 8.868 -0.714 1.00 3.66 H new ATOM 0 HG3 GLN A 111 8.119 7.292 -0.879 1.00 3.66 H new ATOM 0 HE21 GLN A 111 6.021 9.514 -2.273 1.00 5.02 H new ATOM 0 HE22 GLN A 111 6.572 9.397 -3.948 1.00 5.02 H new