USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=17 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 Single : A 13 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.17) USER MOD Single : A 17 GLN : amide:sc= -0.932 X(o=-0.93,f=-0.93) USER MOD Single : A 26 LYS NZ :NH3+ -118:sc= 1.35 (180deg=-0.582) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 97:sc= -2.2! USER MOD Single : A 42 GLN : amide:sc= -2.45! K(o=-2.5!,f=-0.24) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -160:sc= -0.0714 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.827 K(o=-0.83,f=-5.1!) USER MOD Single : A 66 GLN : amide:sc= -1.58! C(o=-1.6!,f=-3!) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.039 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 79 GLN : amide:sc= -1.31 K(o=-1.3,f=-1.9) USER MOD Single : A 85 SER OG : rot 24:sc= 0.0416 USER MOD Single : A 89 LYS NZ :NH3+ -116:sc= 1.19 (180deg=-0.896) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc=-0.000284 (180deg=-0.0682) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 107:sc= 0.709 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= 2.42 (180deg=1.84) USER MOD Single : A 111 GLN : amide:sc=-0.00333 K(o=-0.0033,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 11.896 -1.860 6.292 1.00 3.85 N ATOM 109 CA ARG A 9 10.484 -1.608 6.567 1.00 3.14 C ATOM 110 C ARG A 9 10.280 -0.146 6.979 1.00 2.98 C ATOM 111 O ARG A 9 9.914 0.174 8.115 1.00 3.23 O ATOM 112 CB ARG A 9 9.981 -2.561 7.652 1.00 2.97 C ATOM 113 CG ARG A 9 10.562 -3.955 7.529 1.00 3.11 C ATOM 114 CD ARG A 9 10.140 -4.632 6.243 1.00 3.35 C ATOM 115 NE ARG A 9 10.598 -6.025 6.189 1.00 3.78 N ATOM 116 CZ ARG A 9 10.713 -6.733 5.065 1.00 4.27 C ATOM 117 NH1 ARG A 9 10.960 -6.099 3.929 1.00 4.46 N ATOM 118 NH2 ARG A 9 11.048 -8.009 5.156 1.00 4.95 N ATOM 0 HA ARG A 9 9.905 -1.789 5.661 1.00 3.14 H new ATOM 0 HB2 ARG A 9 10.232 -2.153 8.631 1.00 2.97 H new ATOM 0 HB3 ARG A 9 8.894 -2.620 7.601 1.00 2.97 H new ATOM 0 HG2 ARG A 9 11.650 -3.900 7.570 1.00 3.11 H new ATOM 0 HG3 ARG A 9 10.241 -4.558 8.379 1.00 3.11 H new ATOM 0 HD2 ARG A 9 9.054 -4.602 6.155 1.00 3.35 H new ATOM 0 HD3 ARG A 9 10.544 -4.083 5.393 1.00 3.35 H new ATOM 0 HE ARG A 9 10.844 -6.481 7.068 1.00 3.78 H new ATOM 0 HH11 ARG A 9 11.059 -5.084 3.923 1.00 4.46 H new ATOM 0 HH12 ARG A 9 11.051 -6.626 3.060 1.00 4.46 H new ATOM 0 HH21 ARG A 9 11.212 -8.429 6.071 1.00 4.95 H new ATOM 0 HH22 ARG A 9 11.143 -8.573 4.311 1.00 4.95 H new ATOM 132 N ILE A 10 10.593 0.730 6.052 1.00 2.78 N ATOM 133 CA ILE A 10 10.533 2.174 6.262 1.00 2.70 C ATOM 134 C ILE A 10 9.105 2.731 6.486 1.00 2.20 C ATOM 135 O ILE A 10 8.929 3.626 7.326 1.00 2.49 O ATOM 136 CB ILE A 10 11.240 2.913 5.102 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.335 4.404 5.406 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.493 2.683 3.805 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.255 5.148 4.464 1.00 3.25 C ATOM 0 H ILE A 10 10.901 0.465 5.116 1.00 2.78 H new ATOM 0 HA ILE A 10 11.061 2.363 7.197 1.00 2.70 H new ATOM 0 HB ILE A 10 12.250 2.517 4.996 1.00 2.80 H new ATOM 0 HG12 ILE A 10 10.339 4.843 5.352 1.00 2.80 H new ATOM 0 HG13 ILE A 10 11.688 4.538 6.429 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.000 3.208 2.995 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.466 1.616 3.585 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.474 3.059 3.900 1.00 2.55 H new ATOM 0 HD11 ILE A 10 12.277 6.203 4.735 1.00 3.25 H new ATOM 0 HD12 ILE A 10 13.261 4.734 4.535 1.00 3.25 H new ATOM 0 HD13 ILE A 10 11.891 5.044 3.442 1.00 3.25 H new ATOM 151 N ILE A 11 8.097 2.222 5.783 1.00 1.98 N ATOM 152 CA ILE A 11 6.740 2.718 5.993 1.00 1.56 C ATOM 153 C ILE A 11 5.877 1.661 6.719 1.00 1.31 C ATOM 154 O ILE A 11 6.063 1.435 7.909 1.00 1.71 O ATOM 155 CB ILE A 11 6.026 3.153 4.683 1.00 1.37 C ATOM 156 CG1 ILE A 11 6.928 4.069 3.836 1.00 1.94 C ATOM 157 CG2 ILE A 11 4.710 3.848 5.026 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.261 4.617 2.611 1.00 2.05 C ATOM 0 H ILE A 11 8.188 1.487 5.082 1.00 1.98 H new ATOM 0 HA ILE A 11 6.846 3.609 6.612 1.00 1.56 H new ATOM 0 HB ILE A 11 5.814 2.265 4.087 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.268 4.900 4.454 1.00 1.94 H new ATOM 0 HG13 ILE A 11 7.815 3.511 3.536 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.209 4.153 4.107 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.069 3.161 5.578 1.00 1.05 H new ATOM 0 HG23 ILE A 11 4.912 4.727 5.638 1.00 1.05 H new ATOM 0 HD11 ILE A 11 6.961 5.252 2.069 1.00 2.05 H new ATOM 0 HD12 ILE A 11 5.946 3.794 1.970 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.390 5.204 2.903 1.00 2.05 H new ATOM 170 N ARG A 12 4.938 1.045 6.019 1.00 0.96 N ATOM 171 CA ARG A 12 4.050 0.069 6.631 1.00 1.02 C ATOM 172 C ARG A 12 3.768 -1.127 5.725 1.00 0.77 C ATOM 173 O ARG A 12 4.017 -1.084 4.522 1.00 0.91 O ATOM 174 CB ARG A 12 2.703 0.712 6.957 1.00 1.53 C ATOM 175 CG ARG A 12 2.557 1.226 8.390 1.00 2.10 C ATOM 176 CD ARG A 12 3.296 2.525 8.592 1.00 2.67 C ATOM 177 NE ARG A 12 3.060 3.081 9.923 1.00 3.29 N ATOM 178 CZ ARG A 12 3.598 4.215 10.354 1.00 3.98 C ATOM 179 NH1 ARG A 12 4.531 4.820 9.616 1.00 4.30 N ATOM 180 NH2 ARG A 12 3.296 4.675 11.566 1.00 4.72 N ATOM 0 H ARG A 12 4.771 1.204 5.025 1.00 0.96 H new ATOM 0 HA ARG A 12 4.561 -0.277 7.529 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.540 1.543 6.271 1.00 1.53 H new ATOM 0 HB3 ARG A 12 1.915 -0.017 6.767 1.00 1.53 H new ATOM 0 HG2 ARG A 12 1.501 1.368 8.620 1.00 2.10 H new ATOM 0 HG3 ARG A 12 2.937 0.478 9.086 1.00 2.10 H new ATOM 0 HD2 ARG A 12 4.364 2.362 8.450 1.00 2.67 H new ATOM 0 HD3 ARG A 12 2.981 3.244 7.836 1.00 2.67 H new ATOM 0 HE ARG A 12 2.447 2.568 10.557 1.00 3.29 H new ATOM 0 HH11 ARG A 12 4.825 4.410 8.729 1.00 4.30 H new ATOM 0 HH12 ARG A 12 4.950 5.692 9.939 1.00 4.30 H new ATOM 0 HH21 ARG A 12 2.652 4.156 12.163 1.00 4.72 H new ATOM 0 HH22 ARG A 12 3.709 5.546 11.898 1.00 4.72 H new ATOM 194 N HIS A 13 3.216 -2.166 6.317 1.00 0.70 N ATOM 195 CA HIS A 13 2.849 -3.372 5.601 1.00 0.68 C ATOM 196 C HIS A 13 1.689 -4.066 6.302 1.00 0.74 C ATOM 197 O HIS A 13 1.754 -4.386 7.488 1.00 1.04 O ATOM 198 CB HIS A 13 4.045 -4.326 5.474 1.00 0.93 C ATOM 199 CG HIS A 13 4.482 -5.006 6.744 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.115 -4.354 7.776 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.352 -6.290 7.145 1.00 1.46 C ATOM 202 CE1 HIS A 13 5.351 -5.205 8.748 1.00 1.98 C ATOM 203 NE2 HIS A 13 4.895 -6.385 8.387 1.00 1.80 N ATOM 0 H HIS A 13 3.008 -2.198 7.315 1.00 0.70 H new ATOM 0 HA HIS A 13 2.537 -3.089 4.596 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.796 -5.093 4.741 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.891 -3.766 5.075 1.00 0.93 H new ATOM 0 HD2 HIS A 13 3.900 -7.093 6.582 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.837 -4.975 9.685 1.00 1.98 H new ATOM 0 HE2 HIS A 13 4.942 -7.235 8.949 1.00 1.80 H new ATOM 212 N ASP A 14 0.611 -4.307 5.571 1.00 0.60 N ATOM 213 CA ASP A 14 -0.547 -4.969 6.155 1.00 0.69 C ATOM 214 C ASP A 14 -1.379 -5.621 5.073 1.00 0.61 C ATOM 215 O ASP A 14 -1.506 -5.083 3.971 1.00 0.86 O ATOM 216 CB ASP A 14 -1.385 -3.979 6.986 1.00 0.83 C ATOM 217 CG ASP A 14 -2.255 -4.657 8.053 1.00 1.31 C ATOM 218 OD1 ASP A 14 -3.176 -5.410 7.687 1.00 2.03 O ATOM 219 OD2 ASP A 14 -2.003 -4.436 9.265 1.00 1.78 O ATOM 0 H ASP A 14 0.513 -4.059 4.587 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.197 -5.749 6.831 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.717 -3.268 7.472 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.026 -3.407 6.316 1.00 0.83 H new ATOM 224 N ALA A 15 -1.938 -6.797 5.374 1.00 0.75 N ATOM 225 CA ALA A 15 -2.758 -7.547 4.426 1.00 0.71 C ATOM 226 C ALA A 15 -4.227 -7.140 4.525 1.00 0.68 C ATOM 227 O ALA A 15 -4.829 -7.202 5.592 1.00 0.88 O ATOM 228 CB ALA A 15 -2.592 -9.042 4.674 1.00 0.84 C ATOM 0 H ALA A 15 -1.833 -7.253 6.281 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.422 -7.315 3.415 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.205 -9.599 3.965 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.546 -9.318 4.544 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -2.906 -9.279 5.690 1.00 0.84 H new ATOM 234 N PHE A 16 -4.802 -6.737 3.410 1.00 0.60 N ATOM 235 CA PHE A 16 -6.199 -6.338 3.377 1.00 0.67 C ATOM 236 C PHE A 16 -6.947 -7.168 2.340 1.00 0.68 C ATOM 237 O PHE A 16 -6.345 -7.861 1.518 1.00 1.00 O ATOM 238 CB PHE A 16 -6.330 -4.846 3.059 1.00 0.77 C ATOM 239 CG PHE A 16 -5.749 -3.965 4.126 1.00 1.09 C ATOM 240 CD1 PHE A 16 -6.310 -3.922 5.383 1.00 1.83 C ATOM 241 CD2 PHE A 16 -4.653 -3.175 3.865 1.00 1.74 C ATOM 242 CE1 PHE A 16 -5.786 -3.097 6.368 1.00 2.36 C ATOM 243 CE2 PHE A 16 -4.121 -2.351 4.833 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.688 -2.304 6.088 1.00 2.35 C ATOM 0 H PHE A 16 -4.324 -6.676 2.511 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.636 -6.515 4.360 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.832 -4.637 2.112 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.383 -4.600 2.926 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -7.169 -4.538 5.605 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -4.202 -3.201 2.884 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -6.234 -3.074 7.350 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -3.259 -1.741 4.608 1.00 2.26 H new ATOM 0 HZ PHE A 16 -4.278 -1.653 6.847 1.00 2.35 H new ATOM 254 N GLN A 17 -8.270 -7.096 2.364 1.00 0.59 N ATOM 255 CA GLN A 17 -9.111 -7.812 1.426 1.00 0.60 C ATOM 256 C GLN A 17 -10.261 -6.905 1.040 1.00 0.64 C ATOM 257 O GLN A 17 -11.360 -6.978 1.603 1.00 0.95 O ATOM 258 CB GLN A 17 -9.585 -9.130 2.023 1.00 0.74 C ATOM 259 CG GLN A 17 -10.184 -8.982 3.395 1.00 1.07 C ATOM 260 CD GLN A 17 -10.656 -10.310 3.955 1.00 1.26 C ATOM 261 OE1 GLN A 17 -9.858 -11.212 4.198 1.00 1.81 O ATOM 262 NE2 GLN A 17 -11.954 -10.444 4.129 1.00 1.63 N ATOM 0 H GLN A 17 -8.789 -6.535 3.040 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.550 -8.072 0.528 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -10.324 -9.577 1.358 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -8.743 -9.821 2.074 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -9.445 -8.547 4.068 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -11.023 -8.288 3.351 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -12.580 -9.668 3.914 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -12.334 -11.324 4.479 1.00 1.63 H new ATOM 271 N VAL A 18 -9.975 -5.997 0.117 1.00 0.51 N ATOM 272 CA VAL A 18 -10.949 -5.012 -0.320 1.00 0.59 C ATOM 273 C VAL A 18 -10.963 -4.781 -1.820 1.00 0.60 C ATOM 274 O VAL A 18 -9.979 -4.957 -2.531 1.00 1.04 O ATOM 275 CB VAL A 18 -10.699 -3.674 0.383 1.00 0.83 C ATOM 276 CG1 VAL A 18 -11.411 -3.641 1.727 1.00 1.24 C ATOM 277 CG2 VAL A 18 -9.203 -3.428 0.537 1.00 0.84 C ATOM 0 H VAL A 18 -9.069 -5.924 -0.345 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.922 -5.422 -0.050 1.00 0.59 H new ATOM 0 HB VAL A 18 -11.107 -2.870 -0.229 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -11.224 -2.684 2.214 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -12.483 -3.767 1.574 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -11.037 -4.448 2.357 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -9.041 -2.474 1.038 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -8.762 -4.229 1.130 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -8.735 -3.405 -0.447 1.00 0.84 H new ATOM 287 N TRP A 19 -12.147 -4.392 -2.268 1.00 0.63 N ATOM 288 CA TRP A 19 -12.459 -4.090 -3.662 1.00 0.65 C ATOM 289 C TRP A 19 -11.356 -3.309 -4.380 1.00 0.68 C ATOM 290 O TRP A 19 -10.999 -2.201 -3.981 1.00 1.04 O ATOM 291 CB TRP A 19 -13.733 -3.264 -3.671 1.00 0.72 C ATOM 292 CG TRP A 19 -14.733 -3.723 -2.647 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.687 -4.692 -2.818 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.860 -3.271 -1.293 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.425 -4.839 -1.676 1.00 0.90 N ATOM 296 CE2 TRP A 19 -15.941 -3.984 -0.719 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.196 -2.329 -0.497 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.348 -3.782 0.591 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.604 -2.135 0.800 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.666 -2.852 1.330 1.00 0.96 C ATOM 0 H TRP A 19 -12.949 -4.273 -1.649 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.565 -5.034 -4.196 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.484 -2.219 -3.486 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.185 -3.313 -4.661 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.835 -5.259 -3.725 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.209 -5.481 -1.555 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.371 -1.760 -0.899 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.172 -4.337 1.013 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.090 -1.413 1.417 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -15.963 -2.672 2.353 1.00 0.96 H new ATOM 311 N GLU A 20 -10.841 -3.897 -5.448 1.00 0.69 N ATOM 312 CA GLU A 20 -9.795 -3.250 -6.223 1.00 0.77 C ATOM 313 C GLU A 20 -10.372 -2.492 -7.402 1.00 1.18 C ATOM 314 O GLU A 20 -9.769 -2.418 -8.478 1.00 1.81 O ATOM 315 CB GLU A 20 -8.772 -4.275 -6.691 1.00 1.04 C ATOM 316 CG GLU A 20 -7.391 -3.689 -6.923 1.00 1.26 C ATOM 317 CD GLU A 20 -6.383 -4.718 -7.373 1.00 1.90 C ATOM 318 OE1 GLU A 20 -6.759 -5.894 -7.543 1.00 2.62 O ATOM 319 OE2 GLU A 20 -5.208 -4.349 -7.582 1.00 2.42 O ATOM 0 H GLU A 20 -11.127 -4.812 -5.795 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.295 -2.528 -5.578 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -8.701 -5.070 -5.949 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.124 -4.732 -7.616 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -7.458 -2.901 -7.673 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.040 -3.223 -6.002 1.00 1.26 H new ATOM 326 N GLY A 21 -11.546 -1.955 -7.198 1.00 1.49 N ATOM 327 CA GLY A 21 -12.224 -1.215 -8.241 1.00 1.95 C ATOM 328 C GLY A 21 -13.294 -2.073 -8.861 1.00 2.05 C ATOM 329 O GLY A 21 -14.185 -2.531 -8.156 1.00 2.48 O ATOM 0 H GLY A 21 -12.058 -2.014 -6.318 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -12.666 -0.308 -7.828 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -11.509 -0.903 -9.002 1.00 1.95 H new ATOM 333 N ASP A 22 -13.188 -2.337 -10.164 1.00 2.34 N ATOM 334 CA ASP A 22 -14.158 -3.190 -10.848 1.00 2.75 C ATOM 335 C ASP A 22 -13.751 -4.653 -10.701 1.00 2.43 C ATOM 336 O ASP A 22 -14.369 -5.559 -11.251 1.00 2.85 O ATOM 337 CB ASP A 22 -14.287 -2.804 -12.320 1.00 3.62 C ATOM 338 CG ASP A 22 -13.167 -3.340 -13.196 1.00 4.19 C ATOM 339 OD1 ASP A 22 -12.004 -2.900 -13.023 1.00 4.65 O ATOM 340 OD2 ASP A 22 -13.439 -4.202 -14.056 1.00 4.60 O ATOM 0 H ASP A 22 -12.446 -1.975 -10.762 1.00 2.34 H new ATOM 0 HA ASP A 22 -15.135 -3.048 -10.386 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -15.240 -3.172 -12.700 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -14.310 -1.717 -12.400 1.00 3.62 H new ATOM 345 N GLU A 23 -12.713 -4.867 -9.902 1.00 2.07 N ATOM 346 CA GLU A 23 -12.218 -6.204 -9.608 1.00 2.37 C ATOM 347 C GLU A 23 -12.842 -6.702 -8.310 1.00 1.70 C ATOM 348 O GLU A 23 -12.890 -5.964 -7.329 1.00 1.86 O ATOM 349 CB GLU A 23 -10.696 -6.187 -9.477 1.00 3.34 C ATOM 350 CG GLU A 23 -9.954 -5.931 -10.775 1.00 4.22 C ATOM 351 CD GLU A 23 -10.132 -7.059 -11.764 1.00 5.12 C ATOM 352 OE1 GLU A 23 -9.727 -8.199 -11.454 1.00 5.78 O ATOM 353 OE2 GLU A 23 -10.655 -6.811 -12.867 1.00 5.52 O ATOM 0 H GLU A 23 -12.193 -4.120 -9.441 1.00 2.07 H new ATOM 0 HA GLU A 23 -12.492 -6.873 -10.424 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -10.415 -5.420 -8.756 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -10.369 -7.143 -9.069 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -10.310 -5.001 -11.218 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -8.893 -5.798 -10.565 1.00 4.22 H new ATOM 360 N PRO A 24 -13.341 -7.951 -8.282 1.00 1.42 N ATOM 361 CA PRO A 24 -13.969 -8.549 -7.095 1.00 1.17 C ATOM 362 C PRO A 24 -13.040 -8.499 -5.874 1.00 0.97 C ATOM 363 O PRO A 24 -11.818 -8.639 -6.019 1.00 1.08 O ATOM 364 CB PRO A 24 -14.194 -10.000 -7.500 1.00 1.65 C ATOM 365 CG PRO A 24 -14.225 -9.991 -8.987 1.00 2.09 C ATOM 366 CD PRO A 24 -13.334 -8.875 -9.416 1.00 2.00 C ATOM 0 HA PRO A 24 -14.879 -8.021 -6.809 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -13.395 -10.641 -7.127 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -15.128 -10.383 -7.089 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -13.878 -10.943 -9.389 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -15.240 -9.841 -9.354 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -12.327 -9.231 -9.633 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -13.705 -8.396 -10.322 1.00 2.00 H new ATOM 374 N PRO A 25 -13.598 -8.309 -4.659 1.00 0.88 N ATOM 375 CA PRO A 25 -12.802 -8.267 -3.435 1.00 0.77 C ATOM 376 C PRO A 25 -11.965 -9.527 -3.272 1.00 0.74 C ATOM 377 O PRO A 25 -12.465 -10.649 -3.466 1.00 0.92 O ATOM 378 CB PRO A 25 -13.828 -8.129 -2.315 1.00 0.92 C ATOM 379 CG PRO A 25 -15.129 -8.504 -2.921 1.00 1.08 C ATOM 380 CD PRO A 25 -15.027 -8.140 -4.374 1.00 1.09 C ATOM 0 HA PRO A 25 -12.086 -7.445 -3.439 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.583 -8.781 -1.476 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -13.854 -7.110 -1.930 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.324 -9.569 -2.798 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.951 -7.972 -2.442 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.642 -8.790 -4.997 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.357 -7.117 -4.558 1.00 1.09 H new ATOM 388 N LYS A 26 -10.711 -9.339 -2.909 1.00 0.65 N ATOM 389 CA LYS A 26 -9.792 -10.441 -2.724 1.00 0.73 C ATOM 390 C LYS A 26 -8.709 -10.018 -1.758 1.00 0.66 C ATOM 391 O LYS A 26 -8.625 -8.844 -1.403 1.00 0.88 O ATOM 392 CB LYS A 26 -9.134 -10.886 -4.036 1.00 0.95 C ATOM 393 CG LYS A 26 -10.053 -11.622 -5.011 1.00 1.34 C ATOM 394 CD LYS A 26 -9.302 -11.984 -6.277 1.00 1.42 C ATOM 395 CE LYS A 26 -8.816 -10.750 -7.009 1.00 1.61 C ATOM 396 NZ LYS A 26 -7.821 -11.098 -8.049 1.00 2.20 N ATOM 0 H LYS A 26 -10.303 -8.420 -2.735 1.00 0.65 H new ATOM 0 HA LYS A 26 -10.365 -11.284 -2.338 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.730 -10.006 -4.537 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.290 -11.534 -3.799 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -10.443 -12.525 -4.541 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -10.910 -10.995 -5.256 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -8.451 -12.618 -6.027 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -9.951 -12.565 -6.932 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -9.663 -10.240 -7.469 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -8.373 -10.053 -6.297 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -6.913 -10.643 -7.827 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -7.694 -12.130 -8.076 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -8.157 -10.766 -8.976 1.00 2.20 H new ATOM 410 N LEU A 27 -7.904 -10.979 -1.341 1.00 0.67 N ATOM 411 CA LEU A 27 -6.828 -10.724 -0.399 1.00 0.65 C ATOM 412 C LEU A 27 -5.633 -10.112 -1.099 1.00 0.67 C ATOM 413 O LEU A 27 -5.228 -10.575 -2.158 1.00 1.02 O ATOM 414 CB LEU A 27 -6.426 -12.031 0.302 1.00 0.76 C ATOM 415 CG LEU A 27 -5.673 -11.892 1.625 1.00 0.93 C ATOM 416 CD1 LEU A 27 -5.755 -13.202 2.394 1.00 1.23 C ATOM 417 CD2 LEU A 27 -4.202 -11.532 1.387 1.00 1.31 C ATOM 0 H LEU A 27 -7.976 -11.951 -1.643 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.182 -10.014 0.348 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.330 -12.613 0.483 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -5.807 -12.609 -0.384 1.00 0.76 H new ATOM 0 HG LEU A 27 -6.135 -11.090 2.201 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.218 -13.104 3.338 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -6.799 -13.442 2.594 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -5.306 -14.000 1.802 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -3.690 -11.439 2.345 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -3.727 -12.315 0.796 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -4.141 -10.585 0.850 1.00 1.31 H new ATOM 429 N ARG A 28 -5.053 -9.086 -0.491 1.00 0.57 N ATOM 430 CA ARG A 28 -3.876 -8.430 -1.027 1.00 0.59 C ATOM 431 C ARG A 28 -3.023 -7.888 0.098 1.00 0.55 C ATOM 432 O ARG A 28 -3.503 -7.186 0.985 1.00 0.64 O ATOM 433 CB ARG A 28 -4.207 -7.313 -2.045 1.00 0.71 C ATOM 434 CG ARG A 28 -5.031 -6.160 -1.490 1.00 1.41 C ATOM 435 CD ARG A 28 -6.521 -6.489 -1.456 1.00 1.72 C ATOM 436 NE ARG A 28 -6.997 -7.014 -2.734 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.125 -6.300 -3.840 1.00 2.42 C ATOM 438 NH1 ARG A 28 -7.405 -4.997 -3.741 1.00 2.77 N ATOM 439 NH2 ARG A 28 -7.444 -6.939 -4.954 1.00 3.18 N ATOM 0 H ARG A 28 -5.387 -8.688 0.387 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.319 -9.188 -1.577 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -3.273 -6.915 -2.441 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -4.746 -7.754 -2.883 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -4.689 -5.921 -0.483 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -4.869 -5.272 -2.100 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -6.713 -7.220 -0.670 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -7.084 -5.591 -1.201 1.00 1.72 H new ATOM 0 HE ARG A 28 -7.248 -8.002 -2.776 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -7.517 -4.568 -2.823 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -7.507 -4.432 -4.584 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -7.583 -7.949 -4.941 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -7.551 -6.421 -5.826 1.00 3.18 H new ATOM 453 N TYR A 29 -1.757 -8.224 0.051 1.00 0.55 N ATOM 454 CA TYR A 29 -0.806 -7.774 1.058 1.00 0.59 C ATOM 455 C TYR A 29 -0.279 -6.416 0.653 1.00 0.55 C ATOM 456 O TYR A 29 0.551 -6.312 -0.251 1.00 0.70 O ATOM 457 CB TYR A 29 0.358 -8.766 1.225 1.00 0.71 C ATOM 458 CG TYR A 29 -0.065 -10.170 1.562 1.00 0.77 C ATOM 459 CD1 TYR A 29 -0.579 -11.029 0.589 1.00 1.38 C ATOM 460 CD2 TYR A 29 0.100 -10.665 2.846 1.00 1.46 C ATOM 461 CE1 TYR A 29 -0.945 -12.311 0.906 1.00 1.55 C ATOM 462 CE2 TYR A 29 -0.277 -11.954 3.168 1.00 1.63 C ATOM 463 CZ TYR A 29 -0.775 -12.773 2.189 1.00 1.26 C ATOM 464 OH TYR A 29 -1.135 -14.056 2.513 1.00 1.58 O ATOM 0 H TYR A 29 -1.352 -8.812 -0.677 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.317 -7.711 2.019 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.938 -8.786 0.302 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.021 -8.401 2.010 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -0.690 -10.679 -0.427 1.00 1.38 H new ATOM 0 HD2 TYR A 29 0.531 -10.032 3.608 1.00 1.46 H new ATOM 0 HE1 TYR A 29 -1.366 -12.957 0.149 1.00 1.55 H new ATOM 0 HE2 TYR A 29 -0.180 -12.313 4.182 1.00 1.63 H new ATOM 0 HH TYR A 29 -0.947 -14.219 3.461 1.00 1.58 H new ATOM 474 N VAL A 30 -0.777 -5.377 1.301 1.00 0.48 N ATOM 475 CA VAL A 30 -0.373 -4.017 0.997 1.00 0.48 C ATOM 476 C VAL A 30 0.952 -3.692 1.683 1.00 0.49 C ATOM 477 O VAL A 30 1.026 -3.622 2.901 1.00 0.59 O ATOM 478 CB VAL A 30 -1.452 -2.984 1.411 1.00 0.54 C ATOM 479 CG1 VAL A 30 -1.067 -1.586 0.954 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.799 -3.384 0.844 1.00 0.65 C ATOM 0 H VAL A 30 -1.468 -5.452 2.048 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.248 -3.949 -0.084 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.522 -2.971 2.499 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.840 -0.879 1.256 1.00 0.60 H new ATOM 0 HG12 VAL A 30 -0.118 -1.303 1.409 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.967 -1.573 -0.131 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.550 -2.652 1.140 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.739 -3.422 -0.244 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -3.078 -4.366 1.227 1.00 0.65 H new ATOM 490 N PHE A 31 1.990 -3.509 0.882 1.00 0.49 N ATOM 491 CA PHE A 31 3.317 -3.200 1.394 1.00 0.54 C ATOM 492 C PHE A 31 3.769 -1.830 0.892 1.00 0.52 C ATOM 493 O PHE A 31 3.852 -1.620 -0.321 1.00 0.56 O ATOM 494 CB PHE A 31 4.324 -4.259 0.908 1.00 0.61 C ATOM 495 CG PHE A 31 4.028 -5.667 1.351 1.00 0.61 C ATOM 496 CD1 PHE A 31 3.912 -5.959 2.689 1.00 1.22 C ATOM 497 CD2 PHE A 31 3.907 -6.691 0.419 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.678 -7.248 3.116 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.663 -7.993 0.829 1.00 1.49 C ATOM 500 CZ PHE A 31 3.553 -8.277 2.191 1.00 0.85 C ATOM 0 H PHE A 31 1.938 -3.570 -0.135 1.00 0.49 H new ATOM 0 HA PHE A 31 3.275 -3.197 2.483 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.356 -4.236 -0.181 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.317 -3.984 1.262 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.006 -5.166 3.417 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.004 -6.471 -0.634 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.592 -7.459 4.172 1.00 1.30 H new ATOM 0 HE2 PHE A 31 3.559 -8.782 0.099 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.372 -9.289 2.523 1.00 0.85 H new ATOM 510 N LEU A 32 4.086 -0.898 1.782 1.00 0.57 N ATOM 511 CA LEU A 32 4.531 0.419 1.335 1.00 0.59 C ATOM 512 C LEU A 32 6.002 0.614 1.698 1.00 0.67 C ATOM 513 O LEU A 32 6.352 0.627 2.881 1.00 0.84 O ATOM 514 CB LEU A 32 3.694 1.550 1.938 1.00 0.74 C ATOM 515 CG LEU A 32 2.286 1.209 2.412 1.00 0.98 C ATOM 516 CD1 LEU A 32 1.702 2.427 3.123 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.418 0.816 1.233 1.00 1.43 C ATOM 0 H LEU A 32 4.046 -1.022 2.794 1.00 0.57 H new ATOM 0 HA LEU A 32 4.402 0.460 0.253 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.244 1.960 2.785 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.616 2.343 1.195 1.00 0.74 H new ATOM 0 HG LEU A 32 2.321 0.365 3.101 1.00 0.98 H new ATOM 0 HD11 LEU A 32 0.694 2.198 3.468 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.328 2.685 3.977 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.666 3.269 2.432 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.415 0.575 1.584 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.366 1.645 0.527 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.849 -0.055 0.739 1.00 1.43 H new ATOM 529 N PHE A 33 6.854 0.771 0.688 1.00 0.75 N ATOM 530 CA PHE A 33 8.286 0.993 0.905 1.00 0.96 C ATOM 531 C PHE A 33 8.731 2.163 0.034 1.00 1.08 C ATOM 532 O PHE A 33 8.800 2.046 -1.194 1.00 1.56 O ATOM 533 CB PHE A 33 9.127 -0.269 0.607 1.00 1.17 C ATOM 534 CG PHE A 33 8.781 -1.466 1.451 1.00 1.36 C ATOM 535 CD1 PHE A 33 7.605 -2.175 1.246 1.00 1.79 C ATOM 536 CD2 PHE A 33 9.635 -1.865 2.478 1.00 2.01 C ATOM 537 CE1 PHE A 33 7.297 -3.262 2.046 1.00 2.06 C ATOM 538 CE2 PHE A 33 9.330 -2.954 3.272 1.00 2.28 C ATOM 539 CZ PHE A 33 8.157 -3.647 3.066 1.00 2.01 C ATOM 0 H PHE A 33 6.578 0.749 -0.294 1.00 0.75 H new ATOM 0 HA PHE A 33 8.449 1.225 1.958 1.00 0.96 H new ATOM 0 HB2 PHE A 33 9.002 -0.533 -0.443 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.181 -0.030 0.753 1.00 1.17 H new ATOM 0 HD1 PHE A 33 6.928 -1.877 0.459 1.00 1.79 H new ATOM 0 HD2 PHE A 33 10.548 -1.315 2.656 1.00 2.01 H new ATOM 0 HE1 PHE A 33 6.384 -3.813 1.876 1.00 2.06 H new ATOM 0 HE2 PHE A 33 10.010 -3.261 4.053 1.00 2.28 H new ATOM 0 HZ PHE A 33 7.907 -4.488 3.696 1.00 2.01 H new ATOM 549 N ARG A 34 8.984 3.303 0.679 1.00 1.04 N ATOM 550 CA ARG A 34 9.365 4.536 -0.012 1.00 1.17 C ATOM 551 C ARG A 34 8.179 5.075 -0.836 1.00 1.03 C ATOM 552 O ARG A 34 7.016 4.839 -0.491 1.00 1.87 O ATOM 553 CB ARG A 34 10.602 4.329 -0.899 1.00 1.83 C ATOM 554 CG ARG A 34 11.866 4.184 -0.079 1.00 2.51 C ATOM 555 CD ARG A 34 13.118 4.120 -0.948 1.00 3.05 C ATOM 556 NE ARG A 34 14.334 4.284 -0.142 1.00 3.66 N ATOM 557 CZ ARG A 34 14.724 5.446 0.385 1.00 4.29 C ATOM 558 NH1 ARG A 34 14.367 6.585 -0.203 1.00 4.48 N ATOM 559 NH2 ARG A 34 15.777 5.466 1.192 1.00 5.12 N ATOM 0 H ARG A 34 8.931 3.398 1.693 1.00 1.04 H new ATOM 0 HA ARG A 34 9.630 5.276 0.743 1.00 1.17 H new ATOM 0 HB2 ARG A 34 10.464 3.439 -1.513 1.00 1.83 H new ATOM 0 HB3 ARG A 34 10.706 5.174 -1.580 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.948 5.025 0.610 1.00 2.51 H new ATOM 0 HG3 ARG A 34 11.801 3.280 0.527 1.00 2.51 H new ATOM 0 HD2 ARG A 34 13.152 3.164 -1.471 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.076 4.899 -1.709 1.00 3.05 H new ATOM 0 HE ARG A 34 14.914 3.462 0.025 1.00 3.66 H new ATOM 0 HH11 ARG A 34 13.799 6.565 -1.050 1.00 4.48 H new ATOM 0 HH12 ARG A 34 14.661 7.478 0.193 1.00 4.48 H new ATOM 0 HH21 ARG A 34 16.276 4.601 1.401 1.00 5.12 H new ATOM 0 HH22 ARG A 34 16.088 6.346 1.603 1.00 5.12 H new ATOM 573 N ASN A 35 8.468 5.783 -1.905 1.00 0.98 N ATOM 574 CA ASN A 35 7.427 6.334 -2.768 1.00 1.38 C ATOM 575 C ASN A 35 6.817 5.253 -3.657 1.00 1.09 C ATOM 576 O ASN A 35 7.016 5.267 -4.870 1.00 1.24 O ATOM 577 CB ASN A 35 8.006 7.461 -3.649 1.00 2.08 C ATOM 578 CG ASN A 35 7.730 8.848 -3.091 1.00 2.84 C ATOM 579 OD1 ASN A 35 8.156 9.182 -1.978 1.00 3.26 O ATOM 580 ND2 ASN A 35 7.028 9.667 -3.857 1.00 3.64 N ATOM 0 H ASN A 35 9.419 5.996 -2.205 1.00 0.98 H new ATOM 0 HA ASN A 35 6.643 6.738 -2.128 1.00 1.38 H new ATOM 0 HB2 ASN A 35 9.083 7.322 -3.747 1.00 2.08 H new ATOM 0 HB3 ASN A 35 7.582 7.387 -4.651 1.00 2.08 H new ATOM 0 HD21 ASN A 35 6.820 10.613 -3.536 1.00 3.64 H new ATOM 0 HD22 ASN A 35 6.695 9.353 -4.768 1.00 3.64 H new ATOM 587 N LYS A 36 6.055 4.326 -3.061 1.00 0.89 N ATOM 588 CA LYS A 36 5.394 3.251 -3.812 1.00 0.69 C ATOM 589 C LYS A 36 4.616 2.318 -2.886 1.00 0.66 C ATOM 590 O LYS A 36 4.831 2.280 -1.679 1.00 0.77 O ATOM 591 CB LYS A 36 6.393 2.396 -4.609 1.00 0.80 C ATOM 592 CG LYS A 36 7.289 1.507 -3.763 1.00 1.05 C ATOM 593 CD LYS A 36 7.917 0.392 -4.612 1.00 1.32 C ATOM 594 CE LYS A 36 8.871 0.971 -5.625 1.00 1.84 C ATOM 595 NZ LYS A 36 9.525 -0.106 -6.427 1.00 2.23 N ATOM 0 H LYS A 36 5.881 4.300 -2.056 1.00 0.89 H new ATOM 0 HA LYS A 36 4.714 3.751 -4.502 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.837 1.769 -5.306 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.021 3.058 -5.206 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.075 2.107 -3.305 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.710 1.068 -2.951 1.00 1.05 H new ATOM 0 HD2 LYS A 36 8.445 -0.310 -3.967 1.00 1.32 H new ATOM 0 HD3 LYS A 36 7.134 -0.170 -5.121 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.334 1.648 -6.289 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.632 1.562 -5.116 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 10.176 0.321 -7.116 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 10.056 -0.737 -5.793 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 8.798 -0.654 -6.931 1.00 2.23 H new ATOM 609 N ILE A 37 3.744 1.521 -3.510 1.00 0.61 N ATOM 610 CA ILE A 37 2.950 0.501 -2.817 1.00 0.60 C ATOM 611 C ILE A 37 3.134 -0.815 -3.575 1.00 0.54 C ATOM 612 O ILE A 37 2.515 -1.034 -4.626 1.00 0.75 O ATOM 613 CB ILE A 37 1.441 0.854 -2.736 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.250 2.229 -2.078 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.633 -0.233 -1.992 1.00 0.79 C ATOM 616 CD1 ILE A 37 -0.199 2.698 -2.073 1.00 1.01 C ATOM 0 H ILE A 37 3.568 1.565 -4.514 1.00 0.61 H new ATOM 0 HA ILE A 37 3.300 0.430 -1.787 1.00 0.60 H new ATOM 0 HB ILE A 37 1.055 0.897 -3.754 1.00 0.73 H new ATOM 0 HG12 ILE A 37 1.615 2.187 -1.052 1.00 0.85 H new ATOM 0 HG13 ILE A 37 1.861 2.963 -2.603 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.418 0.054 -1.958 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.733 -1.183 -2.516 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.013 -0.338 -0.976 1.00 0.79 H new ATOM 0 HD11 ILE A 37 -0.264 3.675 -1.594 1.00 1.01 H new ATOM 0 HD12 ILE A 37 -0.561 2.772 -3.098 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.811 1.983 -1.523 1.00 1.01 H new ATOM 628 N MET A 38 4.005 -1.663 -3.065 1.00 0.51 N ATOM 629 CA MET A 38 4.300 -2.949 -3.714 1.00 0.59 C ATOM 630 C MET A 38 3.382 -4.046 -3.186 1.00 0.60 C ATOM 631 O MET A 38 3.837 -5.130 -2.824 1.00 0.98 O ATOM 632 CB MET A 38 5.752 -3.343 -3.483 1.00 0.75 C ATOM 633 CG MET A 38 6.288 -4.301 -4.515 1.00 1.40 C ATOM 634 SD MET A 38 7.827 -5.089 -3.991 1.00 1.72 S ATOM 635 CE MET A 38 8.046 -6.291 -5.291 1.00 2.53 C ATOM 0 H MET A 38 4.526 -1.496 -2.204 1.00 0.51 H new ATOM 0 HA MET A 38 4.128 -2.831 -4.784 1.00 0.59 H new ATOM 0 HB2 MET A 38 6.368 -2.444 -3.480 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.844 -3.796 -2.496 1.00 0.75 H new ATOM 0 HG2 MET A 38 5.541 -5.068 -4.717 1.00 1.40 H new ATOM 0 HG3 MET A 38 6.457 -3.766 -5.450 1.00 1.40 H new ATOM 0 HE1 MET A 38 8.958 -6.861 -5.110 1.00 2.53 H new ATOM 0 HE2 MET A 38 7.192 -6.968 -5.308 1.00 2.53 H new ATOM 0 HE3 MET A 38 8.122 -5.779 -6.250 1.00 2.53 H new ATOM 645 N PHE A 39 2.101 -3.749 -3.135 1.00 0.61 N ATOM 646 CA PHE A 39 1.101 -4.696 -2.649 1.00 0.71 C ATOM 647 C PHE A 39 1.002 -5.957 -3.522 1.00 0.72 C ATOM 648 O PHE A 39 0.872 -5.878 -4.744 1.00 1.08 O ATOM 649 CB PHE A 39 -0.275 -4.029 -2.512 1.00 1.11 C ATOM 650 CG PHE A 39 -0.943 -3.535 -3.776 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.221 -3.239 -4.930 1.00 1.32 C ATOM 652 CD2 PHE A 39 -2.318 -3.348 -3.790 1.00 1.31 C ATOM 653 CE1 PHE A 39 -0.862 -2.780 -6.072 1.00 1.66 C ATOM 654 CE2 PHE A 39 -2.958 -2.898 -4.922 1.00 1.69 C ATOM 655 CZ PHE A 39 -2.231 -2.608 -6.072 1.00 1.57 C ATOM 0 H PHE A 39 1.717 -2.850 -3.426 1.00 0.61 H new ATOM 0 HA PHE A 39 1.437 -5.015 -1.662 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -0.947 -4.741 -2.033 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.172 -3.182 -1.834 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.851 -3.368 -4.936 1.00 1.32 H new ATOM 0 HD2 PHE A 39 -2.893 -3.558 -2.901 1.00 1.31 H new ATOM 0 HE1 PHE A 39 -0.290 -2.558 -6.960 1.00 1.66 H new ATOM 0 HE2 PHE A 39 -4.030 -2.769 -4.918 1.00 1.69 H new ATOM 0 HZ PHE A 39 -2.734 -2.251 -6.958 1.00 1.57 H new ATOM 665 N THR A 40 1.053 -7.124 -2.868 1.00 0.63 N ATOM 666 CA THR A 40 0.952 -8.401 -3.560 1.00 0.74 C ATOM 667 C THR A 40 -0.487 -8.889 -3.560 1.00 0.84 C ATOM 668 O THR A 40 -1.055 -9.192 -2.509 1.00 1.16 O ATOM 669 CB THR A 40 1.842 -9.451 -2.891 1.00 0.98 C ATOM 670 OG1 THR A 40 1.653 -9.418 -1.496 1.00 1.45 O ATOM 671 CG2 THR A 40 3.325 -9.272 -3.162 1.00 1.35 C ATOM 0 H THR A 40 1.164 -7.203 -1.857 1.00 0.63 H new ATOM 0 HA THR A 40 1.285 -8.254 -4.587 1.00 0.74 H new ATOM 0 HB THR A 40 1.541 -10.405 -3.323 1.00 0.98 H new ATOM 0 HG1 THR A 40 1.015 -10.114 -1.236 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.885 -10.056 -2.652 1.00 1.35 H new ATOM 0 HG22 THR A 40 3.509 -9.333 -4.235 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.647 -8.298 -2.794 1.00 1.35 H new ATOM 679 N GLU A 41 -1.067 -8.937 -4.749 1.00 1.04 N ATOM 680 CA GLU A 41 -2.452 -9.361 -4.907 1.00 1.27 C ATOM 681 C GLU A 41 -2.594 -10.882 -4.707 1.00 1.20 C ATOM 682 O GLU A 41 -1.594 -11.587 -4.575 1.00 1.66 O ATOM 683 CB GLU A 41 -2.938 -8.959 -6.305 1.00 1.89 C ATOM 684 CG GLU A 41 -4.254 -8.211 -6.306 1.00 2.55 C ATOM 685 CD GLU A 41 -5.448 -9.119 -6.489 1.00 3.05 C ATOM 686 OE1 GLU A 41 -5.592 -9.704 -7.585 1.00 3.56 O ATOM 687 OE2 GLU A 41 -6.249 -9.243 -5.544 1.00 3.46 O ATOM 0 H GLU A 41 -0.600 -8.687 -5.621 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.062 -8.872 -4.148 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -2.178 -8.337 -6.778 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.041 -9.856 -6.915 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -4.358 -7.668 -5.367 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -4.243 -7.469 -7.104 1.00 2.55 H new ATOM 694 N GLN A 42 -3.818 -11.382 -4.691 1.00 1.08 N ATOM 695 CA GLN A 42 -4.049 -12.801 -4.508 1.00 1.24 C ATOM 696 C GLN A 42 -5.277 -13.240 -5.306 1.00 1.37 C ATOM 697 O GLN A 42 -6.114 -12.422 -5.683 1.00 1.84 O ATOM 698 CB GLN A 42 -4.199 -13.131 -3.017 1.00 1.58 C ATOM 699 CG GLN A 42 -4.257 -14.604 -2.705 1.00 2.34 C ATOM 700 CD GLN A 42 -2.935 -15.317 -2.914 1.00 2.87 C ATOM 701 OE1 GLN A 42 -2.851 -16.535 -2.759 1.00 3.26 O ATOM 702 NE2 GLN A 42 -1.898 -14.563 -3.237 1.00 3.46 N ATOM 0 H GLN A 42 -4.665 -10.825 -4.803 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.188 -13.355 -4.883 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -3.362 -12.690 -2.475 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -5.107 -12.657 -2.643 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -4.573 -14.736 -1.670 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -5.016 -15.071 -3.332 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -2.016 -13.557 -3.355 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -0.980 -14.988 -3.368 1.00 3.46 H new ATOM 711 N ASP A 43 -5.368 -14.536 -5.568 1.00 1.32 N ATOM 712 CA ASP A 43 -6.489 -15.075 -6.332 1.00 1.60 C ATOM 713 C ASP A 43 -7.267 -16.060 -5.486 1.00 1.62 C ATOM 714 O ASP A 43 -6.929 -17.239 -5.415 1.00 1.97 O ATOM 715 CB ASP A 43 -6.009 -15.767 -7.610 1.00 2.08 C ATOM 716 CG ASP A 43 -7.146 -16.394 -8.390 1.00 2.50 C ATOM 717 OD1 ASP A 43 -8.114 -15.673 -8.732 1.00 2.96 O ATOM 718 OD2 ASP A 43 -7.077 -17.600 -8.672 1.00 2.87 O ATOM 0 H ASP A 43 -4.685 -15.231 -5.266 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.133 -14.242 -6.613 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -5.495 -15.042 -8.241 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -5.282 -16.537 -7.352 1.00 2.08 H new ATOM 723 N ALA A 44 -8.294 -15.551 -4.824 1.00 1.87 N ATOM 724 CA ALA A 44 -9.156 -16.345 -3.941 1.00 2.28 C ATOM 725 C ALA A 44 -8.380 -16.980 -2.790 1.00 2.75 C ATOM 726 O ALA A 44 -8.873 -17.900 -2.141 1.00 3.39 O ATOM 727 CB ALA A 44 -9.910 -17.418 -4.720 1.00 2.82 C ATOM 0 H ALA A 44 -8.561 -14.568 -4.880 1.00 1.87 H new ATOM 0 HA ALA A 44 -9.878 -15.651 -3.511 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -10.539 -17.989 -4.037 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -10.533 -16.946 -5.479 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -9.197 -18.087 -5.201 1.00 2.82 H new ATOM 861 N TYR A 54 3.179 -8.935 -9.631 1.00 2.10 N ATOM 862 CA TYR A 54 2.312 -8.227 -10.599 1.00 2.00 C ATOM 863 C TYR A 54 2.004 -6.780 -10.216 1.00 1.62 C ATOM 864 O TYR A 54 2.603 -5.838 -10.723 1.00 1.96 O ATOM 865 CB TYR A 54 0.984 -8.982 -10.800 1.00 2.78 C ATOM 866 CG TYR A 54 0.983 -9.961 -11.956 1.00 3.45 C ATOM 867 CD1 TYR A 54 1.991 -10.903 -12.098 1.00 3.89 C ATOM 868 CD2 TYR A 54 -0.036 -9.950 -12.901 1.00 4.24 C ATOM 869 CE1 TYR A 54 1.990 -11.795 -13.143 1.00 4.87 C ATOM 870 CE2 TYR A 54 -0.036 -10.835 -13.961 1.00 5.15 C ATOM 871 CZ TYR A 54 0.981 -11.751 -14.084 1.00 5.40 C ATOM 872 OH TYR A 54 0.966 -12.635 -15.135 1.00 6.50 O ATOM 0 HA TYR A 54 2.884 -8.201 -11.526 1.00 2.00 H new ATOM 0 HB2 TYR A 54 0.746 -9.522 -9.884 1.00 2.78 H new ATOM 0 HB3 TYR A 54 0.188 -8.254 -10.957 1.00 2.78 H new ATOM 0 HD1 TYR A 54 2.791 -10.936 -11.374 1.00 3.89 H new ATOM 0 HD2 TYR A 54 -0.842 -9.237 -12.805 1.00 4.24 H new ATOM 0 HE1 TYR A 54 2.777 -12.529 -13.228 1.00 4.87 H new ATOM 0 HE2 TYR A 54 -0.832 -10.807 -14.690 1.00 5.15 H new ATOM 0 HH TYR A 54 0.183 -12.460 -15.698 1.00 6.50 H new ATOM 882 N SER A 55 1.016 -6.642 -9.366 1.00 1.34 N ATOM 883 CA SER A 55 0.522 -5.347 -8.917 1.00 1.50 C ATOM 884 C SER A 55 1.637 -4.428 -8.387 1.00 1.20 C ATOM 885 O SER A 55 2.505 -4.848 -7.606 1.00 1.33 O ATOM 886 CB SER A 55 -0.542 -5.570 -7.837 1.00 2.13 C ATOM 887 OG SER A 55 -1.522 -6.481 -8.279 1.00 2.61 O ATOM 0 H SER A 55 0.520 -7.433 -8.956 1.00 1.34 H new ATOM 0 HA SER A 55 0.092 -4.838 -9.780 1.00 1.50 H new ATOM 0 HB2 SER A 55 -0.071 -5.948 -6.929 1.00 2.13 H new ATOM 0 HB3 SER A 55 -1.011 -4.620 -7.581 1.00 2.13 H new ATOM 0 HG SER A 55 -2.333 -6.376 -7.740 1.00 2.61 H new ATOM 893 N SER A 56 1.596 -3.161 -8.819 1.00 1.07 N ATOM 894 CA SER A 56 2.562 -2.152 -8.409 1.00 0.91 C ATOM 895 C SER A 56 1.956 -0.742 -8.510 1.00 0.80 C ATOM 896 O SER A 56 1.328 -0.390 -9.510 1.00 0.93 O ATOM 897 CB SER A 56 3.824 -2.263 -9.257 1.00 1.09 C ATOM 898 OG SER A 56 3.518 -2.341 -10.641 1.00 1.73 O ATOM 0 H SER A 56 0.887 -2.813 -9.464 1.00 1.07 H new ATOM 0 HA SER A 56 2.827 -2.326 -7.366 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.464 -1.400 -9.073 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.388 -3.147 -8.958 1.00 1.09 H new ATOM 0 HG SER A 56 4.349 -2.409 -11.156 1.00 1.73 H new ATOM 904 N ILE A 57 2.136 0.057 -7.469 1.00 0.68 N ATOM 905 CA ILE A 57 1.615 1.435 -7.418 1.00 0.67 C ATOM 906 C ILE A 57 2.777 2.418 -7.216 1.00 0.63 C ATOM 907 O ILE A 57 3.818 2.035 -6.690 1.00 0.81 O ATOM 908 CB ILE A 57 0.587 1.599 -6.253 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.708 0.817 -6.544 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.265 3.070 -5.967 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.523 1.387 -7.707 1.00 0.81 C ATOM 0 H ILE A 57 2.646 -0.222 -6.631 1.00 0.68 H new ATOM 0 HA ILE A 57 1.109 1.647 -8.360 1.00 0.67 H new ATOM 0 HB ILE A 57 1.056 1.185 -5.360 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.454 -0.220 -6.764 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.327 0.810 -5.647 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.454 3.133 -5.150 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.179 3.595 -5.688 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.159 3.530 -6.860 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.420 0.785 -7.852 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.809 2.415 -7.482 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -0.922 1.368 -8.616 1.00 0.81 H new ATOM 923 N ARG A 58 2.554 3.669 -7.600 1.00 0.66 N ATOM 924 CA ARG A 58 3.547 4.719 -7.446 1.00 0.73 C ATOM 925 C ARG A 58 3.004 5.848 -6.589 1.00 0.75 C ATOM 926 O ARG A 58 1.842 6.206 -6.711 1.00 0.91 O ATOM 927 CB ARG A 58 3.975 5.274 -8.810 1.00 0.96 C ATOM 928 CG ARG A 58 2.931 6.168 -9.481 1.00 1.24 C ATOM 929 CD ARG A 58 1.752 5.385 -10.046 1.00 1.86 C ATOM 930 NE ARG A 58 2.158 4.485 -11.122 1.00 2.47 N ATOM 931 CZ ARG A 58 2.597 4.888 -12.312 1.00 2.95 C ATOM 932 NH1 ARG A 58 3.022 6.121 -12.482 1.00 3.22 N ATOM 933 NH2 ARG A 58 2.873 3.981 -13.225 1.00 3.70 N ATOM 0 H ARG A 58 1.681 3.981 -8.026 1.00 0.66 H new ATOM 0 HA ARG A 58 4.416 4.282 -6.955 1.00 0.73 H new ATOM 0 HB2 ARG A 58 4.897 5.842 -8.685 1.00 0.96 H new ATOM 0 HB3 ARG A 58 4.202 4.440 -9.474 1.00 0.96 H new ATOM 0 HG2 ARG A 58 2.564 6.895 -8.757 1.00 1.24 H new ATOM 0 HG3 ARG A 58 3.405 6.731 -10.285 1.00 1.24 H new ATOM 0 HD2 ARG A 58 1.284 4.808 -9.248 1.00 1.86 H new ATOM 0 HD3 ARG A 58 1.000 6.081 -10.419 1.00 1.86 H new ATOM 0 HE ARG A 58 2.101 3.481 -10.950 1.00 2.47 H new ATOM 0 HH11 ARG A 58 3.016 6.775 -11.699 1.00 3.22 H new ATOM 0 HH12 ARG A 58 3.357 6.423 -13.397 1.00 3.22 H new ATOM 0 HH21 ARG A 58 2.749 2.991 -13.014 1.00 3.70 H new ATOM 0 HH22 ARG A 58 3.211 4.268 -14.144 1.00 3.70 H new ATOM 947 N LEU A 59 3.841 6.398 -5.721 1.00 0.85 N ATOM 948 CA LEU A 59 3.414 7.477 -4.844 1.00 1.02 C ATOM 949 C LEU A 59 3.768 8.838 -5.425 1.00 1.15 C ATOM 950 O LEU A 59 3.232 9.857 -4.992 1.00 1.59 O ATOM 951 CB LEU A 59 4.028 7.341 -3.454 1.00 1.28 C ATOM 952 CG LEU A 59 3.131 6.680 -2.399 1.00 1.35 C ATOM 953 CD1 LEU A 59 2.584 5.361 -2.916 1.00 1.35 C ATOM 954 CD2 LEU A 59 3.893 6.462 -1.103 1.00 1.79 C ATOM 0 H LEU A 59 4.815 6.116 -5.606 1.00 0.85 H new ATOM 0 HA LEU A 59 2.330 7.403 -4.758 1.00 1.02 H new ATOM 0 HB2 LEU A 59 4.948 6.763 -3.537 1.00 1.28 H new ATOM 0 HB3 LEU A 59 4.306 8.334 -3.100 1.00 1.28 H new ATOM 0 HG LEU A 59 2.295 7.350 -2.198 1.00 1.35 H new ATOM 0 HD11 LEU A 59 1.950 4.906 -2.155 1.00 1.35 H new ATOM 0 HD12 LEU A 59 1.998 5.539 -3.818 1.00 1.35 H new ATOM 0 HD13 LEU A 59 3.411 4.690 -3.148 1.00 1.35 H new ATOM 0 HD21 LEU A 59 3.237 5.992 -0.370 1.00 1.79 H new ATOM 0 HD22 LEU A 59 4.751 5.816 -1.289 1.00 1.79 H new ATOM 0 HD23 LEU A 59 4.239 7.421 -0.718 1.00 1.79 H new ATOM 966 N ASP A 60 4.687 8.868 -6.394 1.00 1.13 N ATOM 967 CA ASP A 60 5.117 10.123 -7.000 1.00 1.33 C ATOM 968 C ASP A 60 4.000 10.733 -7.838 1.00 1.33 C ATOM 969 O ASP A 60 3.857 11.948 -7.929 1.00 1.56 O ATOM 970 CB ASP A 60 6.359 9.884 -7.874 1.00 1.46 C ATOM 971 CG ASP A 60 7.036 11.164 -8.280 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.763 12.216 -7.677 1.00 2.27 O ATOM 973 OD2 ASP A 60 7.894 11.115 -9.192 1.00 2.52 O ATOM 0 H ASP A 60 5.144 8.038 -6.772 1.00 1.13 H new ATOM 0 HA ASP A 60 5.367 10.822 -6.202 1.00 1.33 H new ATOM 0 HB2 ASP A 60 7.067 9.260 -7.329 1.00 1.46 H new ATOM 0 HB3 ASP A 60 6.069 9.332 -8.768 1.00 1.46 H new ATOM 978 N LYS A 61 3.193 9.876 -8.450 1.00 1.22 N ATOM 979 CA LYS A 61 2.096 10.356 -9.266 1.00 1.28 C ATOM 980 C LYS A 61 0.813 9.546 -9.061 1.00 1.06 C ATOM 981 O LYS A 61 0.360 8.826 -9.960 1.00 1.27 O ATOM 982 CB LYS A 61 2.469 10.336 -10.748 1.00 1.60 C ATOM 983 CG LYS A 61 3.532 11.352 -11.123 1.00 1.93 C ATOM 984 CD LYS A 61 3.724 11.407 -12.628 1.00 2.55 C ATOM 985 CE LYS A 61 4.859 12.328 -13.015 1.00 3.16 C ATOM 986 NZ LYS A 61 5.157 12.285 -14.468 1.00 3.92 N ATOM 0 H LYS A 61 3.278 8.861 -8.396 1.00 1.22 H new ATOM 0 HA LYS A 61 1.905 11.380 -8.946 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.823 9.339 -11.011 1.00 1.60 H new ATOM 0 HB3 LYS A 61 1.574 10.524 -11.341 1.00 1.60 H new ATOM 0 HG2 LYS A 61 3.246 12.337 -10.753 1.00 1.93 H new ATOM 0 HG3 LYS A 61 4.475 11.092 -10.642 1.00 1.93 H new ATOM 0 HD2 LYS A 61 3.924 10.404 -13.006 1.00 2.55 H new ATOM 0 HD3 LYS A 61 2.802 11.747 -13.100 1.00 2.55 H new ATOM 0 HE2 LYS A 61 4.607 13.349 -12.729 1.00 3.16 H new ATOM 0 HE3 LYS A 61 5.753 12.052 -12.456 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 5.942 12.933 -14.681 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 5.424 11.317 -14.739 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 4.314 12.574 -15.004 1.00 3.92 H new ATOM 1000 N TYR A 62 0.207 9.704 -7.888 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.055 9.038 -7.605 1.00 0.69 C ATOM 1002 C TYR A 62 -1.954 9.957 -6.798 1.00 0.67 C ATOM 1003 O TYR A 62 -1.473 10.802 -6.054 1.00 0.83 O ATOM 1004 CB TYR A 62 -0.839 7.702 -6.892 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.850 7.762 -5.378 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.207 8.343 -4.679 1.00 1.46 C ATOM 1007 CD2 TYR A 62 -1.883 7.198 -4.647 1.00 1.49 C ATOM 1008 CE1 TYR A 62 0.216 8.417 -3.299 1.00 1.79 C ATOM 1009 CE2 TYR A 62 -1.889 7.252 -3.266 1.00 1.84 C ATOM 1010 CZ TYR A 62 -0.825 7.836 -2.592 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.808 7.875 -1.204 1.00 2.21 O ATOM 0 H TYR A 62 0.566 10.281 -7.127 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.546 8.814 -8.552 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -1.614 7.007 -7.216 1.00 0.70 H new ATOM 0 HB3 TYR A 62 0.116 7.288 -7.215 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.043 8.747 -5.232 1.00 1.46 H new ATOM 0 HD2 TYR A 62 -2.695 6.709 -5.164 1.00 1.49 H new ATOM 0 HE1 TYR A 62 1.020 8.919 -2.781 1.00 1.79 H new ATOM 0 HE2 TYR A 62 -2.720 6.841 -2.712 1.00 1.84 H new ATOM 0 HH TYR A 62 -1.606 7.427 -0.854 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.265 9.779 -6.937 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.240 10.589 -6.212 1.00 0.73 C ATOM 1023 C ASN A 63 -4.716 9.781 -5.010 1.00 0.64 C ATOM 1024 O ASN A 63 -5.076 8.620 -5.143 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.409 10.947 -7.148 1.00 0.89 C ATOM 1026 CG ASN A 63 -6.463 11.822 -6.510 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -7.048 11.467 -5.491 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -6.749 12.950 -7.129 1.00 2.13 N ATOM 0 H ASN A 63 -3.679 9.076 -7.549 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.797 11.523 -5.866 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.014 11.455 -8.028 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -5.878 10.026 -7.495 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -7.479 13.562 -6.763 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -6.241 13.211 -7.974 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.680 10.375 -3.837 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.079 9.668 -2.625 1.00 0.70 C ATOM 1037 C ILE A 64 -6.113 10.454 -1.821 1.00 0.79 C ATOM 1038 O ILE A 64 -5.965 11.661 -1.607 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.861 9.346 -1.736 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.278 8.525 -0.507 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.130 10.620 -1.321 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.546 7.059 -0.813 1.00 1.18 C ATOM 0 H ILE A 64 -4.382 11.339 -3.690 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.536 8.733 -2.947 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.170 8.742 -2.324 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -3.494 8.592 0.247 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.175 8.966 -0.074 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.276 10.362 -0.695 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.782 11.146 -2.210 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.809 11.263 -0.761 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.835 6.543 0.103 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -5.351 6.981 -1.543 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.644 6.601 -1.218 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.153 9.765 -1.375 1.00 0.69 N ATOM 1055 CA ARG A 65 -8.226 10.388 -0.596 1.00 0.80 C ATOM 1056 C ARG A 65 -8.499 9.585 0.665 1.00 0.68 C ATOM 1057 O ARG A 65 -8.132 8.416 0.767 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.517 10.505 -1.433 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.359 11.316 -2.702 1.00 1.24 C ATOM 1060 CD ARG A 65 -8.964 12.768 -2.407 1.00 1.78 C ATOM 1061 NE ARG A 65 -8.450 13.469 -3.594 1.00 2.20 N ATOM 1062 CZ ARG A 65 -7.954 14.705 -3.556 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -7.912 15.375 -2.412 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -7.512 15.275 -4.672 1.00 3.57 N ATOM 0 H ARG A 65 -7.282 8.766 -1.538 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.902 11.391 -0.317 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.860 9.504 -1.695 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -10.295 10.958 -0.819 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.601 10.855 -3.335 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -10.294 11.301 -3.261 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -9.830 13.304 -2.020 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -8.205 12.782 -1.625 1.00 1.78 H new ATOM 0 HE ARG A 65 -8.475 12.984 -4.491 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.260 14.944 -1.556 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -7.531 16.321 -2.389 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -7.553 14.766 -5.555 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -7.132 16.221 -4.645 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.131 10.241 1.618 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.468 9.658 2.908 1.00 0.83 C ATOM 1080 C GLN A 66 -10.870 10.086 3.333 1.00 0.99 C ATOM 1081 O GLN A 66 -11.149 11.275 3.438 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.436 10.134 3.927 1.00 0.97 C ATOM 1083 CG GLN A 66 -8.697 9.719 5.360 1.00 1.30 C ATOM 1084 CD GLN A 66 -7.568 10.172 6.272 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -6.436 9.717 6.128 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -7.866 11.085 7.178 1.00 2.45 N ATOM 0 H GLN A 66 -9.431 11.211 1.519 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.456 8.570 2.843 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -7.457 9.757 3.630 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -8.385 11.222 3.885 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -9.639 10.148 5.701 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -8.802 8.635 5.415 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -8.822 11.431 7.258 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -7.140 11.444 7.798 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.755 9.131 3.543 1.00 0.94 N ATOM 1096 CA HIS A 67 -13.121 9.443 3.927 1.00 1.14 C ATOM 1097 C HIS A 67 -13.332 9.158 5.415 1.00 1.30 C ATOM 1098 O HIS A 67 -13.686 8.049 5.790 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.114 8.621 3.105 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.112 8.926 1.644 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.594 10.107 1.109 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.677 8.190 0.590 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.460 10.081 -0.204 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -13.906 8.923 -0.545 1.00 1.61 N ATOM 0 H HIS A 67 -11.555 8.135 3.455 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.293 10.502 3.734 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -13.891 7.563 3.242 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.117 8.789 3.497 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.232 7.207 0.637 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.751 10.867 -0.885 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -13.687 8.628 -1.496 1.00 1.61 H new ATOM 1113 N THR A 68 -13.095 10.153 6.250 1.00 1.74 N ATOM 1114 CA THR A 68 -13.260 9.981 7.692 1.00 2.04 C ATOM 1115 C THR A 68 -14.725 10.181 8.121 1.00 1.92 C ATOM 1116 O THR A 68 -15.143 11.282 8.484 1.00 2.16 O ATOM 1117 CB THR A 68 -12.329 10.937 8.418 1.00 2.74 C ATOM 1118 OG1 THR A 68 -12.260 12.185 7.735 1.00 3.12 O ATOM 1119 CG2 THR A 68 -10.933 10.387 8.576 1.00 3.23 C ATOM 0 H THR A 68 -12.790 11.083 5.964 1.00 1.74 H new ATOM 0 HA THR A 68 -12.997 8.958 7.960 1.00 2.04 H new ATOM 0 HB THR A 68 -12.750 11.074 9.414 1.00 2.74 H new ATOM 0 HG1 THR A 68 -11.657 12.789 8.217 1.00 3.12 H new ATOM 0 HG21 THR A 68 -10.313 11.113 9.102 1.00 3.23 H new ATOM 0 HG22 THR A 68 -10.970 9.460 9.148 1.00 3.23 H new ATOM 0 HG23 THR A 68 -10.506 10.190 7.593 1.00 3.23 H new ATOM 1127 N THR A 69 -15.478 9.107 8.074 1.00 2.34 N ATOM 1128 CA THR A 69 -16.875 9.113 8.457 1.00 2.58 C ATOM 1129 C THR A 69 -17.236 7.744 9.013 1.00 2.35 C ATOM 1130 O THR A 69 -17.669 6.851 8.274 1.00 2.76 O ATOM 1131 CB THR A 69 -17.759 9.484 7.248 1.00 3.11 C ATOM 1132 OG1 THR A 69 -17.362 10.733 6.720 1.00 3.61 O ATOM 1133 CG2 THR A 69 -19.233 9.567 7.579 1.00 3.69 C ATOM 0 H THR A 69 -15.138 8.196 7.767 1.00 2.34 H new ATOM 0 HA THR A 69 -17.049 9.863 9.228 1.00 2.58 H new ATOM 0 HB THR A 69 -17.621 8.680 6.525 1.00 3.11 H new ATOM 0 HG1 THR A 69 -17.928 10.958 5.952 1.00 3.61 H new ATOM 0 HG21 THR A 69 -19.793 9.832 6.682 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.578 8.602 7.950 1.00 3.69 H new ATOM 0 HG23 THR A 69 -19.392 10.327 8.344 1.00 3.69 H new ATOM 1141 N ASP A 70 -17.000 7.585 10.315 1.00 2.34 N ATOM 1142 CA ASP A 70 -17.244 6.334 11.034 1.00 2.43 C ATOM 1143 C ASP A 70 -16.121 5.351 10.709 1.00 2.17 C ATOM 1144 O ASP A 70 -15.470 4.823 11.617 1.00 2.45 O ATOM 1145 CB ASP A 70 -18.625 5.735 10.747 1.00 3.01 C ATOM 1146 CG ASP A 70 -19.750 6.587 11.323 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -19.982 7.703 10.814 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -20.406 6.147 12.292 1.00 3.96 O ATOM 0 H ASP A 70 -16.630 8.329 10.907 1.00 2.34 H new ATOM 0 HA ASP A 70 -17.245 6.549 12.103 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -18.760 5.637 9.670 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -18.679 4.731 11.168 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.870 5.141 9.421 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.807 4.268 8.979 1.00 2.00 C ATOM 1155 C GLU A 71 -13.811 5.112 8.194 1.00 1.55 C ATOM 1156 O GLU A 71 -14.184 5.800 7.243 1.00 1.90 O ATOM 1157 CB GLU A 71 -15.365 3.154 8.104 1.00 2.69 C ATOM 1158 CG GLU A 71 -14.789 1.777 8.397 1.00 3.30 C ATOM 1159 CD GLU A 71 -13.352 1.629 7.954 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -12.470 2.185 8.624 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -13.113 0.950 6.927 1.00 4.50 O ATOM 0 H GLU A 71 -16.399 5.572 8.663 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.318 3.803 9.835 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -16.447 3.116 8.231 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -15.175 3.399 7.059 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -14.855 1.583 9.467 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -15.396 1.022 7.898 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.566 5.093 8.607 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.515 5.896 7.942 1.00 1.10 C ATOM 1170 C ASP A 72 -11.057 5.201 6.667 1.00 0.90 C ATOM 1171 O ASP A 72 -9.906 4.730 6.589 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.329 6.111 8.880 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.725 6.539 10.273 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -11.247 7.659 10.433 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -10.511 5.751 11.217 1.00 2.64 O ATOM 0 H ASP A 72 -12.236 4.538 9.397 1.00 1.31 H new ATOM 0 HA ASP A 72 -11.932 6.870 7.686 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.755 5.186 8.943 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.670 6.866 8.451 1.00 1.58 H new ATOM 1180 N THR A 73 -11.950 5.102 5.683 1.00 0.74 N ATOM 1181 CA THR A 73 -11.661 4.438 4.426 1.00 0.65 C ATOM 1182 C THR A 73 -10.706 5.223 3.535 1.00 0.60 C ATOM 1183 O THR A 73 -10.976 6.379 3.167 1.00 0.79 O ATOM 1184 CB THR A 73 -12.965 4.145 3.685 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.794 3.283 4.464 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.768 3.472 2.336 1.00 0.94 C ATOM 0 H THR A 73 -12.894 5.483 5.742 1.00 0.74 H new ATOM 0 HA THR A 73 -11.152 3.505 4.669 1.00 0.65 H new ATOM 0 HB THR A 73 -13.424 5.120 3.521 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.627 3.104 3.979 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.738 3.297 1.872 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.169 4.116 1.692 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.255 2.520 2.476 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.603 4.588 3.180 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.598 5.186 2.334 1.00 0.52 C ATOM 1196 C ILE A 74 -8.823 4.740 0.888 1.00 0.50 C ATOM 1197 O ILE A 74 -8.945 3.543 0.612 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.160 4.776 2.770 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.864 5.276 4.186 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.135 5.308 1.783 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.060 6.766 4.343 1.00 0.99 C ATOM 0 H ILE A 74 -9.383 3.637 3.475 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.687 6.269 2.422 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.096 3.688 2.775 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.511 4.754 4.891 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.837 5.021 4.447 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.135 5.013 2.102 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.336 4.898 0.793 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.197 6.396 1.745 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.834 7.057 5.369 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.394 7.294 3.661 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -8.094 7.023 4.112 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.887 5.687 -0.029 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.102 5.386 -1.425 1.00 0.45 C ATOM 1215 C VAL A 75 -8.059 6.101 -2.271 1.00 0.46 C ATOM 1216 O VAL A 75 -7.562 7.158 -1.881 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.513 5.821 -1.902 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.608 5.309 -0.960 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.630 7.331 -2.062 1.00 1.19 C ATOM 0 H VAL A 75 -8.791 6.682 0.175 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.018 4.306 -1.541 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.655 5.368 -2.883 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.583 5.633 -1.325 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.577 4.220 -0.924 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.444 5.710 0.040 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.636 7.585 -2.397 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.434 7.815 -1.105 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.904 7.676 -2.798 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.742 5.554 -3.417 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.778 6.184 -4.299 1.00 0.58 C ATOM 1231 C LEU A 76 -7.273 6.149 -5.726 1.00 0.59 C ATOM 1232 O LEU A 76 -7.822 5.148 -6.202 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.386 5.548 -4.184 1.00 0.74 C ATOM 1234 CG LEU A 76 -5.325 4.071 -4.531 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -3.938 3.697 -5.008 1.00 1.04 C ATOM 1236 CD2 LEU A 76 -5.749 3.232 -3.343 1.00 0.75 C ATOM 0 H LEU A 76 -8.132 4.678 -3.765 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.676 7.223 -3.987 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -4.701 6.088 -4.838 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -5.025 5.682 -3.164 1.00 0.74 H new ATOM 0 HG LEU A 76 -6.021 3.870 -5.345 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -3.911 2.635 -5.253 1.00 1.04 H new ATOM 0 HD12 LEU A 76 -3.689 4.280 -5.895 1.00 1.04 H new ATOM 0 HD13 LEU A 76 -3.214 3.906 -4.221 1.00 1.04 H new ATOM 0 HD21 LEU A 76 -5.700 2.176 -3.608 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -5.082 3.427 -2.503 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -6.770 3.489 -3.062 1.00 0.75 H new ATOM 1248 N GLN A 77 -7.088 7.265 -6.371 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.503 7.463 -7.765 1.00 0.74 C ATOM 1250 C GLN A 77 -6.279 7.662 -8.651 1.00 0.78 C ATOM 1251 O GLN A 77 -5.209 8.054 -8.179 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.448 8.671 -7.870 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.570 8.663 -6.836 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.526 9.819 -7.012 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -11.165 9.947 -8.059 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.637 10.665 -5.990 1.00 2.03 N ATOM 0 H GLN A 77 -6.642 8.083 -5.956 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.038 6.576 -8.105 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -7.867 9.586 -7.756 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.886 8.693 -8.868 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -10.121 7.725 -6.910 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.138 8.701 -5.836 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -10.087 10.517 -5.144 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.272 11.461 -6.053 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.386 7.347 -9.942 1.00 0.85 N ATOM 1266 CA PRO A 78 -5.274 7.459 -10.860 1.00 0.99 C ATOM 1267 C PRO A 78 -5.268 8.770 -11.645 1.00 1.02 C ATOM 1268 O PRO A 78 -6.298 9.203 -12.162 1.00 1.34 O ATOM 1269 CB PRO A 78 -5.519 6.285 -11.802 1.00 1.43 C ATOM 1270 CG PRO A 78 -7.010 6.095 -11.820 1.00 1.60 C ATOM 1271 CD PRO A 78 -7.580 6.817 -10.614 1.00 1.20 C ATOM 0 HA PRO A 78 -4.314 7.448 -10.345 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -5.137 6.496 -12.801 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -5.012 5.386 -11.450 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -7.435 6.494 -12.741 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -7.261 5.035 -11.785 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.263 7.614 -10.908 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -8.139 6.141 -9.967 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.104 9.379 -11.755 1.00 1.17 N ATOM 1280 CA GLN A 79 -3.972 10.615 -12.507 1.00 1.56 C ATOM 1281 C GLN A 79 -3.201 10.345 -13.790 1.00 1.66 C ATOM 1282 O GLN A 79 -2.937 11.239 -14.594 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.320 11.707 -11.653 1.00 2.04 C ATOM 1284 CG GLN A 79 -1.900 11.387 -11.235 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.293 12.454 -10.342 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -0.094 12.459 -10.104 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -2.123 13.340 -9.795 1.00 3.46 N ATOM 0 H GLN A 79 -3.238 9.041 -11.336 1.00 1.17 H new ATOM 0 HA GLN A 79 -4.960 10.985 -12.779 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -3.323 12.643 -12.212 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -3.925 11.867 -10.760 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -1.887 10.431 -10.711 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.282 11.271 -12.125 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -3.119 13.309 -10.014 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -1.763 14.050 -9.157 1.00 3.46 H new ATOM 1296 N GLU A 80 -2.870 9.066 -13.980 1.00 1.50 N ATOM 1297 CA GLU A 80 -2.161 8.614 -15.166 1.00 1.81 C ATOM 1298 C GLU A 80 -3.011 7.585 -15.920 1.00 1.62 C ATOM 1299 O GLU A 80 -3.431 6.575 -15.337 1.00 1.78 O ATOM 1300 CB GLU A 80 -0.830 7.975 -14.792 1.00 2.37 C ATOM 1301 CG GLU A 80 0.268 8.948 -14.409 1.00 3.06 C ATOM 1302 CD GLU A 80 1.629 8.294 -14.391 1.00 3.86 C ATOM 1303 OE1 GLU A 80 1.706 7.082 -14.676 1.00 4.35 O ATOM 1304 OE2 GLU A 80 2.621 8.988 -14.119 1.00 4.42 O ATOM 0 H GLU A 80 -3.087 8.322 -13.316 1.00 1.50 H new ATOM 0 HA GLU A 80 -1.974 9.481 -15.799 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -0.995 7.292 -13.959 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -0.484 7.375 -15.633 1.00 2.37 H new ATOM 0 HG2 GLU A 80 0.276 9.780 -15.113 1.00 3.06 H new ATOM 0 HG3 GLU A 80 0.054 9.365 -13.425 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.292 7.816 -17.218 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.092 6.904 -18.038 1.00 2.28 C ATOM 1313 C PRO A 81 -3.459 5.514 -18.127 1.00 2.24 C ATOM 1314 O PRO A 81 -2.397 5.338 -18.708 1.00 2.80 O ATOM 1315 CB PRO A 81 -4.086 7.564 -19.427 1.00 2.89 C ATOM 1316 CG PRO A 81 -3.774 8.995 -19.161 1.00 3.10 C ATOM 1317 CD PRO A 81 -2.836 8.988 -18.000 1.00 2.53 C ATOM 0 HA PRO A 81 -5.089 6.756 -17.623 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -3.339 7.110 -20.079 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -5.051 7.454 -19.922 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -3.318 9.466 -20.032 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -4.679 9.558 -18.932 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -1.799 8.883 -18.318 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -2.900 9.910 -17.422 1.00 2.53 H new ATOM 1325 N GLY A 82 -4.109 4.533 -17.533 1.00 1.99 N ATOM 1326 CA GLY A 82 -3.597 3.187 -17.541 1.00 2.10 C ATOM 1327 C GLY A 82 -3.477 2.623 -16.147 1.00 1.96 C ATOM 1328 O GLY A 82 -3.228 1.435 -15.965 1.00 2.51 O ATOM 0 H GLY A 82 -4.994 4.648 -17.039 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -4.255 2.552 -18.134 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -2.620 3.173 -18.024 1.00 2.10 H new ATOM 1332 N LEU A 83 -3.628 3.486 -15.155 1.00 1.57 N ATOM 1333 CA LEU A 83 -3.527 3.094 -13.761 1.00 1.40 C ATOM 1334 C LEU A 83 -4.927 2.856 -13.202 1.00 1.22 C ATOM 1335 O LEU A 83 -5.832 3.660 -13.440 1.00 1.13 O ATOM 1336 CB LEU A 83 -2.809 4.194 -12.955 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.396 3.804 -11.531 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.313 2.749 -11.580 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -1.910 5.039 -10.763 1.00 1.26 C ATOM 0 H LEU A 83 -3.824 4.477 -15.295 1.00 1.57 H new ATOM 0 HA LEU A 83 -2.948 2.174 -13.682 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -1.917 4.498 -13.503 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.462 5.065 -12.900 1.00 1.31 H new ATOM 0 HG LEU A 83 -3.261 3.394 -11.010 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -1.024 2.477 -10.565 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -1.687 1.867 -12.100 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -0.446 3.142 -12.111 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -1.620 4.749 -9.753 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -1.052 5.473 -11.277 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -2.712 5.775 -10.712 1.00 1.26 H new ATOM 1351 N PRO A 84 -5.135 1.760 -12.453 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.435 1.443 -11.854 1.00 1.29 C ATOM 1353 C PRO A 84 -6.654 2.178 -10.530 1.00 1.09 C ATOM 1354 O PRO A 84 -5.705 2.634 -9.878 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.373 -0.077 -11.655 1.00 1.58 C ATOM 1356 CG PRO A 84 -5.005 -0.506 -12.085 1.00 1.75 C ATOM 1357 CD PRO A 84 -4.147 0.738 -12.110 1.00 1.64 C ATOM 0 HA PRO A 84 -7.271 1.757 -12.479 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -6.552 -0.339 -10.612 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -7.140 -0.577 -12.246 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -4.596 -1.244 -11.395 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -5.038 -0.973 -13.069 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -3.674 0.930 -11.147 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -3.349 0.673 -12.850 1.00 1.64 H new ATOM 1365 N SER A 85 -7.922 2.293 -10.143 1.00 0.99 N ATOM 1366 CA SER A 85 -8.312 2.953 -8.901 1.00 0.88 C ATOM 1367 C SER A 85 -9.014 1.971 -7.997 1.00 0.63 C ATOM 1368 O SER A 85 -9.927 1.252 -8.424 1.00 0.82 O ATOM 1369 CB SER A 85 -9.221 4.136 -9.245 1.00 1.23 C ATOM 1370 OG SER A 85 -10.328 3.733 -10.041 1.00 1.43 O ATOM 0 H SER A 85 -8.708 1.931 -10.682 1.00 0.99 H new ATOM 0 HA SER A 85 -7.432 3.320 -8.372 1.00 0.88 H new ATOM 0 HB2 SER A 85 -9.582 4.597 -8.326 1.00 1.23 H new ATOM 0 HB3 SER A 85 -8.646 4.894 -9.777 1.00 1.23 H new ATOM 0 HG SER A 85 -10.501 2.778 -9.902 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.595 1.911 -6.745 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.185 0.984 -5.810 1.00 0.64 C ATOM 1378 C PHE A 86 -9.324 1.613 -4.427 1.00 0.57 C ATOM 1379 O PHE A 86 -8.961 2.774 -4.236 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.378 -0.324 -5.768 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.057 -0.274 -5.049 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.991 -0.549 -3.701 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -5.887 0.018 -5.725 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.787 -0.521 -3.028 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.670 0.054 -5.059 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.623 -0.231 -3.709 1.00 0.75 C ATOM 0 H PHE A 86 -7.851 2.493 -6.359 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.191 0.740 -6.151 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.994 -1.090 -5.297 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.197 -0.646 -6.793 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -7.896 -0.790 -3.163 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -5.920 0.221 -6.785 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -5.756 -0.726 -1.968 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -3.765 0.303 -5.593 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.677 -0.227 -3.187 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.843 0.841 -3.464 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.020 1.318 -2.108 1.00 0.57 C ATOM 1398 C ARG A 87 -9.641 0.245 -1.106 1.00 0.57 C ATOM 1399 O ARG A 87 -9.923 -0.934 -1.317 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.461 1.751 -1.838 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.488 0.678 -2.109 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.898 0.647 -3.557 1.00 1.24 C ATOM 1403 NE ARG A 87 -13.477 1.916 -4.001 1.00 1.36 N ATOM 1404 CZ ARG A 87 -13.928 2.140 -5.232 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.237 1.104 -6.004 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -14.398 3.340 -5.543 1.00 2.41 N ATOM 0 H ARG A 87 -10.146 -0.122 -3.612 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.366 2.182 -1.995 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.546 2.066 -0.798 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.689 2.621 -2.454 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.082 -0.293 -1.826 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -13.366 0.850 -1.487 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -12.030 0.412 -4.173 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -13.623 -0.153 -3.709 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.538 2.676 -3.324 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -14.127 0.154 -5.650 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -14.584 1.259 -6.951 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -14.411 4.080 -4.841 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -14.746 3.523 -6.484 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.011 0.648 -0.023 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.600 -0.297 1.014 1.00 0.54 C ATOM 1422 C ILE A 88 -9.212 0.036 2.373 1.00 0.59 C ATOM 1423 O ILE A 88 -9.139 1.174 2.840 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.066 -0.362 1.165 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.462 1.050 1.066 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.466 -1.306 0.124 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.951 1.094 1.217 1.00 0.74 C ATOM 0 H ILE A 88 -8.769 1.620 0.169 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.969 -1.268 0.685 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.822 -0.761 2.150 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.732 1.482 0.102 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.911 1.680 1.834 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.383 -1.340 0.245 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.878 -2.306 0.259 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.708 -0.946 -0.876 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.607 2.125 1.135 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.671 0.695 2.192 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.489 0.494 0.433 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.798 -0.962 3.019 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.396 -0.781 4.324 1.00 0.74 C ATOM 1441 C LYS A 89 -10.149 -2.042 5.150 1.00 0.85 C ATOM 1442 O LYS A 89 -10.146 -3.141 4.583 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.896 -0.447 4.224 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.792 -1.591 3.830 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.260 -1.235 4.012 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.874 -1.929 5.202 1.00 1.89 C ATOM 1447 NZ LYS A 89 -14.566 -1.243 6.494 1.00 2.46 N ATOM 0 H LYS A 89 -9.870 -1.911 2.653 1.00 0.62 H new ATOM 0 HA LYS A 89 -9.932 0.072 4.819 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.230 -0.063 5.188 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.023 0.357 3.499 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.607 -1.858 2.790 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.551 -2.467 4.432 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.358 -0.156 4.133 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.812 -1.506 3.112 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -15.955 -1.978 5.071 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -14.511 -2.956 5.245 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -13.995 -1.872 7.094 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -14.035 -0.369 6.305 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -15.454 -1.010 6.983 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.927 -1.924 6.455 1.00 1.06 N ATOM 1462 CA PRO A 90 -9.667 -3.083 7.296 1.00 1.30 C ATOM 1463 C PRO A 90 -10.946 -3.853 7.599 1.00 1.47 C ATOM 1464 O PRO A 90 -11.611 -3.614 8.613 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.091 -2.472 8.565 1.00 1.59 C ATOM 1466 CG PRO A 90 -9.687 -1.098 8.635 1.00 1.77 C ATOM 1467 CD PRO A 90 -9.899 -0.665 7.213 1.00 1.29 C ATOM 0 HA PRO A 90 -9.001 -3.804 6.822 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.354 -3.062 9.443 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.003 -2.429 8.524 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -10.629 -1.109 9.184 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -9.022 -0.410 9.157 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -10.831 -0.111 7.100 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -9.096 -0.012 6.871 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.302 -4.780 6.717 1.00 1.40 N ATOM 1476 CA LYS A 91 -12.497 -5.576 6.901 1.00 1.72 C ATOM 1477 C LYS A 91 -12.225 -6.780 7.811 1.00 2.02 C ATOM 1478 O LYS A 91 -12.873 -6.940 8.849 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.035 -6.043 5.536 1.00 1.95 C ATOM 1480 CG LYS A 91 -14.182 -7.038 5.633 1.00 2.50 C ATOM 1481 CD LYS A 91 -14.840 -7.277 4.288 1.00 2.94 C ATOM 1482 CE LYS A 91 -15.908 -8.363 4.361 1.00 3.58 C ATOM 1483 NZ LYS A 91 -16.998 -8.033 5.320 1.00 4.13 N ATOM 0 H LYS A 91 -10.777 -4.994 5.870 1.00 1.40 H new ATOM 0 HA LYS A 91 -13.250 -4.955 7.386 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -13.369 -5.173 4.971 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.220 -6.496 4.971 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -13.810 -7.983 6.028 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -14.925 -6.668 6.340 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -15.290 -6.349 3.934 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -14.082 -7.562 3.559 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -16.335 -8.514 3.370 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -15.444 -9.304 4.655 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -17.746 -8.753 5.256 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -16.616 -8.015 6.287 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -17.395 -7.100 5.087 1.00 4.13 H new ATOM 1497 N ASP A 92 -11.271 -7.625 7.412 1.00 2.34 N ATOM 1498 CA ASP A 92 -10.947 -8.824 8.187 1.00 2.92 C ATOM 1499 C ASP A 92 -10.419 -8.447 9.564 1.00 2.79 C ATOM 1500 O ASP A 92 -10.705 -9.128 10.551 1.00 3.27 O ATOM 1501 CB ASP A 92 -9.896 -9.673 7.453 1.00 3.81 C ATOM 1502 CG ASP A 92 -9.777 -11.088 8.010 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -10.617 -11.469 8.850 1.00 5.11 O ATOM 1504 OD2 ASP A 92 -8.865 -11.827 7.580 1.00 4.67 O ATOM 0 H ASP A 92 -10.715 -7.503 6.566 1.00 2.34 H new ATOM 0 HA ASP A 92 -11.862 -9.406 8.302 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -10.154 -9.725 6.395 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -8.927 -9.179 7.521 1.00 3.81 H new ATOM 1509 N PHE A 93 -9.653 -7.363 9.604 1.00 2.71 N ATOM 1510 CA PHE A 93 -9.054 -6.847 10.834 1.00 2.95 C ATOM 1511 C PHE A 93 -7.813 -7.633 11.235 1.00 3.05 C ATOM 1512 O PHE A 93 -6.758 -7.440 10.650 1.00 3.30 O ATOM 1513 CB PHE A 93 -10.066 -6.786 11.982 1.00 3.27 C ATOM 1514 CG PHE A 93 -10.888 -5.527 12.020 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -10.358 -4.311 11.609 1.00 4.40 C ATOM 1516 CD2 PHE A 93 -12.178 -5.552 12.493 1.00 4.41 C ATOM 1517 CE1 PHE A 93 -11.098 -3.156 11.691 1.00 5.30 C ATOM 1518 CE2 PHE A 93 -12.926 -4.390 12.578 1.00 5.31 C ATOM 1519 CZ PHE A 93 -12.387 -3.196 12.177 1.00 5.69 C ATOM 0 H PHE A 93 -9.427 -6.811 8.777 1.00 2.71 H new ATOM 0 HA PHE A 93 -8.739 -5.825 10.622 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -10.737 -7.641 11.904 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -9.532 -6.885 12.927 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -9.351 -4.273 11.220 1.00 4.40 H new ATOM 0 HD2 PHE A 93 -12.614 -6.490 12.802 1.00 4.41 H new ATOM 0 HE1 PHE A 93 -10.669 -2.217 11.374 1.00 5.30 H new ATOM 0 HE2 PHE A 93 -13.935 -4.425 12.961 1.00 5.31 H new ATOM 0 HZ PHE A 93 -12.970 -2.289 12.242 1.00 5.69 H new ATOM 1529 N GLU A 94 -7.938 -8.498 12.254 1.00 3.44 N ATOM 1530 CA GLU A 94 -6.810 -9.281 12.761 1.00 3.96 C ATOM 1531 C GLU A 94 -5.760 -8.326 13.343 1.00 3.75 C ATOM 1532 O GLU A 94 -4.588 -8.381 12.990 1.00 4.15 O ATOM 1533 CB GLU A 94 -6.179 -10.174 11.675 1.00 4.82 C ATOM 1534 CG GLU A 94 -7.089 -11.278 11.199 1.00 5.73 C ATOM 1535 CD GLU A 94 -7.482 -12.253 12.287 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -6.973 -12.158 13.422 1.00 7.20 O ATOM 1537 OE2 GLU A 94 -8.325 -13.142 12.015 1.00 6.69 O ATOM 0 H GLU A 94 -8.817 -8.670 12.743 1.00 3.44 H new ATOM 0 HA GLU A 94 -7.184 -9.949 13.537 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -5.898 -9.554 10.824 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -5.261 -10.614 12.066 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -7.991 -10.836 10.776 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -6.594 -11.824 10.396 1.00 5.73 H new ATOM 1544 N THR A 95 -6.226 -7.444 14.226 1.00 3.56 N ATOM 1545 CA THR A 95 -5.381 -6.443 14.884 1.00 3.57 C ATOM 1546 C THR A 95 -4.820 -5.434 13.846 1.00 3.11 C ATOM 1547 O THR A 95 -3.645 -5.083 13.862 1.00 3.46 O ATOM 1548 CB THR A 95 -4.240 -7.114 15.687 1.00 4.37 C ATOM 1549 OG1 THR A 95 -4.705 -8.269 16.376 1.00 4.92 O ATOM 1550 CG2 THR A 95 -3.615 -6.189 16.719 1.00 4.79 C ATOM 0 H THR A 95 -7.205 -7.402 14.508 1.00 3.56 H new ATOM 0 HA THR A 95 -5.999 -5.891 15.593 1.00 3.57 H new ATOM 0 HB THR A 95 -3.488 -7.379 14.944 1.00 4.37 H new ATOM 0 HG1 THR A 95 -3.964 -8.674 16.873 1.00 4.92 H new ATOM 0 HG21 THR A 95 -2.822 -6.717 17.248 1.00 4.79 H new ATOM 0 HG22 THR A 95 -3.197 -5.315 16.219 1.00 4.79 H new ATOM 0 HG23 THR A 95 -4.377 -5.870 17.431 1.00 4.79 H new ATOM 1558 N SER A 96 -5.691 -4.995 12.937 1.00 2.83 N ATOM 1559 CA SER A 96 -5.293 -4.061 11.895 1.00 2.92 C ATOM 1560 C SER A 96 -6.020 -2.740 12.026 1.00 2.63 C ATOM 1561 O SER A 96 -5.727 -1.803 11.295 1.00 2.95 O ATOM 1562 CB SER A 96 -5.549 -4.674 10.515 1.00 3.49 C ATOM 1563 OG SER A 96 -4.618 -5.704 10.216 1.00 4.05 O ATOM 0 H SER A 96 -6.672 -5.273 12.905 1.00 2.83 H new ATOM 0 HA SER A 96 -4.227 -3.865 12.009 1.00 2.92 H new ATOM 0 HB2 SER A 96 -6.561 -5.077 10.478 1.00 3.49 H new ATOM 0 HB3 SER A 96 -5.487 -3.896 9.754 1.00 3.49 H new ATOM 0 HG SER A 96 -5.063 -6.575 10.276 1.00 4.05 H new ATOM 1569 N GLU A 97 -6.919 -2.624 12.983 1.00 2.52 N ATOM 1570 CA GLU A 97 -7.615 -1.376 13.207 1.00 2.71 C ATOM 1571 C GLU A 97 -6.650 -0.360 13.793 1.00 2.41 C ATOM 1572 O GLU A 97 -6.520 0.758 13.320 1.00 2.64 O ATOM 1573 CB GLU A 97 -8.810 -1.549 14.153 1.00 3.26 C ATOM 1574 CG GLU A 97 -9.520 -0.247 14.512 1.00 3.93 C ATOM 1575 CD GLU A 97 -10.035 0.551 13.318 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -9.981 0.039 12.180 1.00 4.86 O ATOM 1577 OE2 GLU A 97 -10.503 1.699 13.518 1.00 4.75 O ATOM 0 H GLU A 97 -7.183 -3.379 13.616 1.00 2.52 H new ATOM 0 HA GLU A 97 -7.997 -1.029 12.247 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -9.529 -2.226 13.691 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -8.466 -2.027 15.070 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -10.360 -0.476 15.167 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -8.834 0.380 15.081 1.00 3.93 H new ATOM 1584 N TYR A 98 -5.972 -0.805 14.832 1.00 2.15 N ATOM 1585 CA TYR A 98 -5.002 0.002 15.532 1.00 1.95 C ATOM 1586 C TYR A 98 -3.785 0.287 14.652 1.00 1.56 C ATOM 1587 O TYR A 98 -3.152 1.330 14.782 1.00 1.45 O ATOM 1588 CB TYR A 98 -4.602 -0.719 16.829 1.00 2.16 C ATOM 1589 CG TYR A 98 -3.573 0.013 17.657 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -2.202 -0.177 17.438 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -3.956 0.887 18.676 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -1.257 0.495 18.190 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -3.002 1.564 19.431 1.00 4.46 C ATOM 1594 CZ TYR A 98 -1.657 1.353 19.179 1.00 4.66 C ATOM 1595 OH TYR A 98 -0.700 2.016 19.932 1.00 5.65 O ATOM 0 H TYR A 98 -6.082 -1.744 15.214 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.443 0.967 15.781 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -5.495 -0.874 17.435 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -4.213 -1.706 16.577 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -1.878 -0.861 16.668 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -5.005 1.040 18.881 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -0.205 0.344 17.998 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -3.309 2.249 20.208 1.00 4.46 H new ATOM 0 HH TYR A 98 -1.143 2.589 20.592 1.00 5.65 H new ATOM 1605 N VAL A 99 -3.490 -0.615 13.736 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.373 -0.438 12.809 1.00 1.34 C ATOM 1607 C VAL A 99 -2.767 0.482 11.663 1.00 1.17 C ATOM 1608 O VAL A 99 -2.050 1.431 11.356 1.00 1.04 O ATOM 1609 CB VAL A 99 -1.896 -1.798 12.260 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -0.700 -1.637 11.349 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -1.570 -2.728 13.424 1.00 1.91 C ATOM 0 H VAL A 99 -4.007 -1.485 13.608 1.00 1.54 H new ATOM 0 HA VAL A 99 -1.550 0.021 13.357 1.00 1.34 H new ATOM 0 HB VAL A 99 -2.698 -2.234 11.664 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -0.390 -2.614 10.980 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -0.968 -0.999 10.507 1.00 1.76 H new ATOM 0 HG13 VAL A 99 0.121 -1.181 11.903 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -1.233 -3.690 13.038 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -0.782 -2.285 14.034 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -2.462 -2.874 14.034 1.00 1.91 H new ATOM 1621 N ARG A 100 -3.915 0.191 11.041 1.00 1.36 N ATOM 1622 CA ARG A 100 -4.421 0.977 9.922 1.00 1.42 C ATOM 1623 C ARG A 100 -4.686 2.415 10.361 1.00 1.31 C ATOM 1624 O ARG A 100 -4.736 3.319 9.528 1.00 1.31 O ATOM 1625 CB ARG A 100 -5.701 0.316 9.353 1.00 1.78 C ATOM 1626 CG ARG A 100 -6.201 0.870 8.022 1.00 2.37 C ATOM 1627 CD ARG A 100 -7.194 1.999 8.228 1.00 3.01 C ATOM 1628 NE ARG A 100 -8.106 1.732 9.345 1.00 3.48 N ATOM 1629 CZ ARG A 100 -9.235 2.395 9.536 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -9.901 2.764 8.467 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -9.915 2.233 10.666 1.00 4.93 N ATOM 0 H ARG A 100 -4.513 -0.593 11.301 1.00 1.36 H new ATOM 0 HA ARG A 100 -3.671 1.004 9.132 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -5.513 -0.751 9.233 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -6.498 0.418 10.090 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -5.356 1.230 7.436 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -6.670 0.071 7.447 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -6.654 2.927 8.415 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -7.772 2.145 7.315 1.00 3.01 H new ATOM 0 HE ARG A 100 -7.857 0.998 10.008 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -9.543 2.537 7.539 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -10.777 3.277 8.564 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -9.566 1.598 11.384 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -10.786 2.743 10.815 1.00 4.93 H new ATOM 1645 N LYS A 101 -4.818 2.642 11.670 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.029 3.983 12.167 1.00 1.43 C ATOM 1647 C LYS A 101 -3.763 4.794 11.904 1.00 1.27 C ATOM 1648 O LYS A 101 -3.784 6.009 11.774 1.00 1.40 O ATOM 1649 CB LYS A 101 -5.360 3.995 13.662 1.00 1.68 C ATOM 1650 CG LYS A 101 -6.056 5.259 14.134 1.00 2.35 C ATOM 1651 CD LYS A 101 -7.436 5.405 13.528 1.00 2.61 C ATOM 1652 CE LYS A 101 -8.290 4.191 13.852 1.00 2.79 C ATOM 1653 NZ LYS A 101 -9.700 4.356 13.437 1.00 3.24 N ATOM 0 H LYS A 101 -4.782 1.919 12.388 1.00 1.34 H new ATOM 0 HA LYS A 101 -5.883 4.420 11.649 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.994 3.138 13.889 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -4.437 3.868 14.228 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -6.137 5.244 15.221 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -5.451 6.126 13.871 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -7.914 6.306 13.911 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -7.355 5.522 12.447 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -7.871 3.315 13.358 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -8.251 4.001 14.925 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -10.137 3.421 13.312 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -10.217 4.885 14.168 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -9.739 4.879 12.539 1.00 3.24 H new ATOM 1667 N ALA A 102 -2.665 4.076 11.774 1.00 1.11 N ATOM 1668 CA ALA A 102 -1.388 4.687 11.466 1.00 1.11 C ATOM 1669 C ALA A 102 -1.085 4.524 9.966 1.00 0.99 C ATOM 1670 O ALA A 102 0.039 4.717 9.521 1.00 1.28 O ATOM 1671 CB ALA A 102 -0.292 4.058 12.300 1.00 1.22 C ATOM 0 H ALA A 102 -2.632 3.062 11.878 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.432 5.750 11.704 1.00 1.11 H new ATOM 0 HB1 ALA A 102 0.663 4.526 12.059 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -0.511 4.204 13.358 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -0.238 2.991 12.084 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.129 4.196 9.203 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.014 4.039 7.747 1.00 1.01 C ATOM 1679 C TRP A 103 -2.592 5.254 7.063 1.00 0.93 C ATOM 1680 O TRP A 103 -1.996 5.785 6.140 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.722 2.771 7.244 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.877 1.534 7.308 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.482 0.854 8.424 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.294 0.847 6.201 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.709 -0.229 8.065 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.588 -0.255 6.711 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.330 1.030 4.813 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.115 -1.135 5.894 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.628 0.144 4.013 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.067 -0.931 4.553 1.00 0.98 C ATOM 0 H TRP A 103 -3.067 4.033 9.568 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.956 3.939 7.505 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.625 2.613 7.834 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.039 2.929 6.213 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.737 1.125 9.438 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.295 -0.902 8.710 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.892 1.843 4.377 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.681 -1.954 6.313 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.621 0.292 2.943 1.00 0.73 H new ATOM 0 HH2 TRP A 103 0.578 -1.617 3.894 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.748 5.709 7.547 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.386 6.888 6.996 1.00 1.12 C ATOM 1703 C LEU A 104 -3.535 8.114 7.282 1.00 1.10 C ATOM 1704 O LEU A 104 -3.434 9.020 6.467 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.798 7.032 7.578 1.00 1.35 C ATOM 1706 CG LEU A 104 -5.962 6.648 9.054 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -6.196 7.887 9.914 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -7.123 5.673 9.198 1.00 1.69 C ATOM 0 H LEU A 104 -4.255 5.275 8.318 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.477 6.788 5.914 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -6.116 8.068 7.456 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -6.477 6.418 6.986 1.00 1.35 H new ATOM 0 HG LEU A 104 -5.045 6.170 9.399 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -6.309 7.590 10.957 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -5.345 8.562 9.819 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -7.101 8.395 9.581 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -7.240 5.399 10.247 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -8.039 6.143 8.841 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -6.921 4.778 8.610 1.00 1.69 H new ATOM 1720 N ARG A 105 -2.901 8.108 8.438 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.023 9.201 8.831 1.00 1.18 C ATOM 1722 C ARG A 105 -0.859 9.276 7.846 1.00 1.08 C ATOM 1723 O ARG A 105 -0.504 10.355 7.375 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.530 9.002 10.254 1.00 1.38 C ATOM 1725 CG ARG A 105 -2.587 9.359 11.287 1.00 2.01 C ATOM 1726 CD ARG A 105 -2.089 9.166 12.707 1.00 2.29 C ATOM 1727 NE ARG A 105 -2.888 9.936 13.676 1.00 2.86 N ATOM 1728 CZ ARG A 105 -2.877 9.760 14.992 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -2.560 8.580 15.483 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -3.576 10.585 15.756 1.00 4.52 N ATOM 0 H ARG A 105 -2.975 7.358 9.125 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.571 10.143 8.807 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -1.229 7.963 10.390 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.644 9.615 10.418 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -2.892 10.396 11.149 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -3.472 8.743 11.127 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -2.126 8.108 12.965 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -1.045 9.473 12.771 1.00 2.29 H new ATOM 0 HE ARG A 105 -3.499 10.664 13.306 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.326 7.812 14.854 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -2.548 8.434 16.492 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -4.112 11.342 15.332 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -3.578 10.464 16.769 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.296 8.126 7.508 1.00 0.95 N ATOM 1745 CA ASP A 106 0.797 8.065 6.546 1.00 0.99 C ATOM 1746 C ASP A 106 0.287 8.272 5.130 1.00 0.96 C ATOM 1747 O ASP A 106 1.068 8.396 4.201 1.00 1.17 O ATOM 1748 CB ASP A 106 1.559 6.746 6.684 1.00 1.09 C ATOM 1749 CG ASP A 106 2.540 6.763 7.848 1.00 1.46 C ATOM 1750 OD1 ASP A 106 2.134 7.133 8.982 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.719 6.400 7.651 1.00 1.76 O ATOM 0 H ASP A 106 -0.577 7.221 7.885 1.00 0.95 H new ATOM 0 HA ASP A 106 1.493 8.876 6.761 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.848 5.931 6.823 1.00 1.09 H new ATOM 0 HB3 ASP A 106 2.100 6.543 5.759 1.00 1.09 H new ATOM 1756 N ILE A 107 -1.031 8.281 4.967 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.629 8.465 3.671 1.00 1.04 C ATOM 1758 C ILE A 107 -1.995 9.946 3.453 1.00 1.23 C ATOM 1759 O ILE A 107 -1.817 10.482 2.363 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.859 7.532 3.495 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.513 6.399 2.525 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -4.095 8.279 3.019 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.449 5.475 3.063 1.00 1.45 C ATOM 0 H ILE A 107 -1.700 8.161 5.727 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.903 8.189 2.906 1.00 1.04 H new ATOM 0 HB ILE A 107 -3.100 7.119 4.474 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -3.413 5.823 2.310 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -2.174 6.826 1.581 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.924 7.580 2.913 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -4.359 9.047 3.746 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.889 8.747 2.056 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -1.245 4.692 2.333 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.537 6.041 3.253 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.795 5.023 3.993 1.00 1.45 H new ATOM 1775 N ALA A 108 -2.447 10.612 4.531 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.818 12.031 4.490 1.00 1.52 C ATOM 1777 C ALA A 108 -1.585 12.873 4.198 1.00 1.59 C ATOM 1778 O ALA A 108 -1.670 14.059 3.884 1.00 1.92 O ATOM 1779 CB ALA A 108 -3.421 12.456 5.816 1.00 1.62 C ATOM 0 H ALA A 108 -2.564 10.181 5.448 1.00 1.25 H new ATOM 0 HA ALA A 108 -3.557 12.179 3.702 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -3.692 13.511 5.771 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -4.312 11.861 6.018 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.693 12.302 6.613 1.00 1.62 H new ATOM 1785 N GLU A 109 -0.448 12.206 4.284 1.00 1.39 N ATOM 1786 CA GLU A 109 0.847 12.773 4.033 1.00 1.50 C ATOM 1787 C GLU A 109 1.828 11.611 3.874 1.00 1.43 C ATOM 1788 O GLU A 109 2.528 11.237 4.815 1.00 1.70 O ATOM 1789 CB GLU A 109 1.265 13.706 5.159 1.00 1.69 C ATOM 1790 CG GLU A 109 1.053 13.146 6.562 1.00 1.73 C ATOM 1791 CD GLU A 109 1.327 14.163 7.631 1.00 2.07 C ATOM 1792 OE1 GLU A 109 2.366 14.852 7.550 1.00 2.40 O ATOM 1793 OE2 GLU A 109 0.513 14.276 8.563 1.00 2.56 O ATOM 0 H GLU A 109 -0.409 11.220 4.540 1.00 1.39 H new ATOM 0 HA GLU A 109 0.831 13.378 3.126 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.320 13.952 5.036 1.00 1.69 H new ATOM 0 HB3 GLU A 109 0.707 14.638 5.066 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.027 12.790 6.657 1.00 1.73 H new ATOM 0 HG3 GLU A 109 1.704 12.284 6.709 1.00 1.73 H new ATOM 1800 N GLU A 110 1.825 11.025 2.669 1.00 1.49 N ATOM 1801 CA GLU A 110 2.656 9.872 2.357 1.00 1.63 C ATOM 1802 C GLU A 110 4.092 10.141 2.749 1.00 1.78 C ATOM 1803 O GLU A 110 4.711 11.083 2.250 1.00 2.20 O ATOM 1804 CB GLU A 110 2.508 9.480 0.878 1.00 2.09 C ATOM 1805 CG GLU A 110 2.914 10.535 -0.162 1.00 2.83 C ATOM 1806 CD GLU A 110 2.110 11.817 -0.097 1.00 3.38 C ATOM 1807 OE1 GLU A 110 0.856 11.750 -0.134 1.00 3.86 O ATOM 1808 OE2 GLU A 110 2.716 12.906 -0.009 1.00 3.86 O ATOM 0 H GLU A 110 1.246 11.341 1.891 1.00 1.49 H new ATOM 0 HA GLU A 110 2.319 9.016 2.942 1.00 1.63 H new ATOM 0 HB2 GLU A 110 3.103 8.584 0.703 1.00 2.09 H new ATOM 0 HB3 GLU A 110 1.467 9.211 0.700 1.00 2.09 H new ATOM 0 HG2 GLU A 110 3.969 10.774 -0.027 1.00 2.83 H new ATOM 0 HG3 GLU A 110 2.810 10.105 -1.158 1.00 2.83 H new ATOM 1815 N GLN A 111 4.572 9.332 3.709 1.00 1.93 N ATOM 1816 CA GLN A 111 5.901 9.448 4.299 1.00 2.44 C ATOM 1817 C GLN A 111 6.372 10.906 4.317 1.00 2.84 C ATOM 1818 O GLN A 111 7.241 11.304 3.541 1.00 3.22 O ATOM 1819 CB GLN A 111 6.935 8.568 3.589 1.00 2.97 C ATOM 1820 CG GLN A 111 8.165 8.327 4.461 1.00 3.66 C ATOM 1821 CD GLN A 111 9.251 7.506 3.790 1.00 4.54 C ATOM 1822 OE1 GLN A 111 9.005 6.403 3.304 1.00 5.12 O ATOM 1823 NE2 GLN A 111 10.470 8.024 3.790 1.00 5.02 N ATOM 0 H GLN A 111 4.027 8.563 4.100 1.00 1.93 H new ATOM 0 HA GLN A 111 5.816 9.091 5.325 1.00 2.44 H new ATOM 0 HB2 GLN A 111 6.481 7.612 3.328 1.00 2.97 H new ATOM 0 HB3 GLN A 111 7.238 9.043 2.656 1.00 2.97 H new ATOM 0 HG2 GLN A 111 8.582 9.290 4.755 1.00 3.66 H new ATOM 0 HG3 GLN A 111 7.855 7.821 5.375 1.00 3.66 H new ATOM 0 HE21 GLN A 111 10.634 8.942 4.203 1.00 5.02 H new ATOM 0 HE22 GLN A 111 11.245 7.505 3.377 1.00 5.02 H new