USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 60 SER OG : rot -94:sc= 1.22 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.677 K(o=1.9,f=-3.5!) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= -0.0151 USER MOD Set 2.2: A 55 SER OG : rot 50:sc= 0.669 USER MOD Set 2.3: A 83 THR OG1 : rot 150:sc= 1.4 USER MOD Set 3.1: A 29 MET CE :methyl 152:sc= -0.151 (180deg=-0.488) USER MOD Set 3.2: A 32 THR OG1 : rot 139:sc= -0.0272 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.00856 X(o=-0.0086,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.199 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 64 MET CE :methyl -164:sc= -1.53 (180deg=-1.79) USER MOD Single : A 65 THR OG1 : rot -150:sc= -1.06 USER MOD Single : A 66 HIS : no HE2:sc= -6.57! C(o=-6.6!,f=-10!) USER MOD Single : A 70 GLN : amide:sc= -0.0674 K(o=-0.067,f=-2.2!) USER MOD Single : A 71 ASN : amide:sc=-0.00228 X(o=-0.0023,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -108:sc= -1.79! (180deg=-3.53!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -15:sc= 0.413 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -154:sc= -2.57! (180deg=-4.47!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.697 -5.448 13.658 1.00 0.00 N ATOM 60 CA GLY A 7 -3.325 -5.800 13.983 1.00 0.00 C ATOM 61 C GLY A 7 -2.338 -5.010 13.122 1.00 0.00 C ATOM 62 O GLY A 7 -2.491 -4.936 11.904 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.134 -5.600 15.037 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.174 -6.868 13.829 1.00 0.00 H new ATOM 66 N SER A 8 -1.346 -4.439 13.790 1.00 0.00 N ATOM 67 CA SER A 8 -0.333 -3.656 13.101 1.00 0.00 C ATOM 68 C SER A 8 0.832 -4.557 12.687 1.00 0.00 C ATOM 69 O SER A 8 1.049 -5.611 13.284 1.00 0.00 O ATOM 70 CB SER A 8 0.169 -2.509 13.981 1.00 0.00 C ATOM 71 OG SER A 8 -0.897 -1.677 14.433 1.00 0.00 O ATOM 0 H SER A 8 -1.222 -4.503 14.800 1.00 0.00 H new ATOM 0 HA SER A 8 -0.784 -3.222 12.208 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.700 -2.917 14.841 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.885 -1.908 13.420 1.00 0.00 H new ATOM 0 HG SER A 8 -0.536 -0.958 14.993 1.00 0.00 H new ATOM 77 N VAL A 9 1.551 -4.109 11.669 1.00 0.00 N ATOM 78 CA VAL A 9 2.689 -4.862 11.168 1.00 0.00 C ATOM 79 C VAL A 9 3.895 -3.929 11.038 1.00 0.00 C ATOM 80 O VAL A 9 3.747 -2.708 11.082 1.00 0.00 O ATOM 81 CB VAL A 9 2.322 -5.552 9.853 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.559 -4.601 8.929 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.568 -6.108 9.160 1.00 0.00 C ATOM 0 H VAL A 9 1.368 -3.234 11.177 1.00 0.00 H new ATOM 0 HA VAL A 9 2.963 -5.651 11.868 1.00 0.00 H new ATOM 0 HB VAL A 9 1.666 -6.390 10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.310 -5.117 8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.642 -4.274 9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.180 -3.733 8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.280 -6.593 8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.260 -5.293 8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.054 -6.834 9.812 1.00 0.00 H new ATOM 93 N SER A 10 5.060 -4.538 10.880 1.00 0.00 N ATOM 94 CA SER A 10 6.291 -3.777 10.743 1.00 0.00 C ATOM 95 C SER A 10 7.168 -4.393 9.652 1.00 0.00 C ATOM 96 O SER A 10 7.524 -5.568 9.726 1.00 0.00 O ATOM 97 CB SER A 10 7.053 -3.720 12.068 1.00 0.00 C ATOM 98 OG SER A 10 8.259 -2.968 11.959 1.00 0.00 O ATOM 0 H SER A 10 5.178 -5.550 10.844 1.00 0.00 H new ATOM 0 HA SER A 10 6.033 -2.757 10.459 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.417 -3.276 12.833 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.286 -4.733 12.396 1.00 0.00 H new ATOM 0 HG SER A 10 8.715 -2.954 12.826 1.00 0.00 H new ATOM 104 N LEU A 11 7.491 -3.572 8.663 1.00 0.00 N ATOM 105 CA LEU A 11 8.320 -4.022 7.558 1.00 0.00 C ATOM 106 C LEU A 11 9.681 -3.325 7.630 1.00 0.00 C ATOM 107 O LEU A 11 9.781 -2.201 8.120 1.00 0.00 O ATOM 108 CB LEU A 11 7.595 -3.817 6.227 1.00 0.00 C ATOM 109 CG LEU A 11 6.155 -4.330 6.162 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.559 -4.118 4.768 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.073 -5.792 6.604 1.00 0.00 C ATOM 0 H LEU A 11 7.194 -2.598 8.604 1.00 0.00 H new ATOM 0 HA LEU A 11 8.505 -5.094 7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.591 -2.751 5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.171 -4.309 5.443 1.00 0.00 H new ATOM 0 HG LEU A 11 5.554 -3.748 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.535 -4.491 4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.562 -3.055 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.155 -4.657 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.039 -6.131 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.692 -6.405 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.430 -5.882 7.630 1.00 0.00 H new ATOM 123 N VAL A 12 10.694 -4.022 7.136 1.00 0.00 N ATOM 124 CA VAL A 12 12.043 -3.484 7.139 1.00 0.00 C ATOM 125 C VAL A 12 12.529 -3.330 5.696 1.00 0.00 C ATOM 126 O VAL A 12 12.834 -4.318 5.031 1.00 0.00 O ATOM 127 CB VAL A 12 12.958 -4.372 7.985 1.00 0.00 C ATOM 128 CG1 VAL A 12 14.413 -3.909 7.889 1.00 0.00 C ATOM 129 CG2 VAL A 12 12.490 -4.410 9.441 1.00 0.00 C ATOM 0 H VAL A 12 10.607 -4.954 6.731 1.00 0.00 H new ATOM 0 HA VAL A 12 12.059 -2.494 7.595 1.00 0.00 H new ATOM 0 HB VAL A 12 12.902 -5.386 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.042 -4.557 8.499 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.742 -3.957 6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.493 -2.883 8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.157 -5.048 10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.503 -3.401 9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.476 -4.808 9.487 1.00 0.00 H new ATOM 139 N GLY A 13 12.585 -2.082 5.255 1.00 0.00 N ATOM 140 CA GLY A 13 13.028 -1.785 3.903 1.00 0.00 C ATOM 141 C GLY A 13 13.115 -0.275 3.674 1.00 0.00 C ATOM 142 O GLY A 13 12.429 0.499 4.341 1.00 0.00 O ATOM 0 H GLY A 13 12.331 -1.265 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.003 -2.240 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.337 -2.226 3.185 1.00 0.00 H new ATOM 146 N PRO A 14 13.986 0.110 2.703 1.00 0.00 N ATOM 147 CA PRO A 14 14.172 1.514 2.378 1.00 0.00 C ATOM 148 C PRO A 14 12.986 2.052 1.574 1.00 0.00 C ATOM 149 O PRO A 14 12.915 3.247 1.290 1.00 0.00 O ATOM 150 CB PRO A 14 15.483 1.570 1.610 1.00 0.00 C ATOM 151 CG PRO A 14 15.747 0.151 1.133 1.00 0.00 C ATOM 152 CD PRO A 14 14.815 -0.778 1.893 1.00 0.00 C ATOM 0 HA PRO A 14 14.217 2.148 3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.413 2.259 0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.294 1.925 2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.574 0.071 0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.787 -0.124 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.208 -1.374 1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.374 -1.476 2.516 1.00 0.00 H new ATOM 160 N ALA A 15 12.084 1.144 1.232 1.00 0.00 N ATOM 161 CA ALA A 15 10.904 1.513 0.467 1.00 0.00 C ATOM 162 C ALA A 15 10.301 0.258 -0.168 1.00 0.00 C ATOM 163 O ALA A 15 9.102 0.012 -0.047 1.00 0.00 O ATOM 164 CB ALA A 15 11.280 2.570 -0.573 1.00 0.00 C ATOM 0 H ALA A 15 12.146 0.154 1.470 1.00 0.00 H new ATOM 0 HA ALA A 15 10.146 1.951 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.395 2.847 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.676 3.452 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.037 2.166 -1.245 1.00 0.00 H new ATOM 170 N PRO A 16 11.183 -0.522 -0.849 1.00 0.00 N ATOM 171 CA PRO A 16 10.750 -1.745 -1.504 1.00 0.00 C ATOM 172 C PRO A 16 10.503 -2.856 -0.481 1.00 0.00 C ATOM 173 O PRO A 16 11.324 -3.760 -0.331 1.00 0.00 O ATOM 174 CB PRO A 16 11.860 -2.078 -2.487 1.00 0.00 C ATOM 175 CG PRO A 16 13.078 -1.297 -2.022 1.00 0.00 C ATOM 176 CD PRO A 16 12.610 -0.261 -1.013 1.00 0.00 C ATOM 0 HA PRO A 16 9.798 -1.631 -2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.064 -3.149 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.580 -1.797 -3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.811 -1.966 -1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.567 -0.813 -2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.142 -0.361 -0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.788 0.752 -1.374 1.00 0.00 H new ATOM 184 N TRP A 17 9.369 -2.752 0.195 1.00 0.00 N ATOM 185 CA TRP A 17 9.003 -3.737 1.199 1.00 0.00 C ATOM 186 C TRP A 17 8.653 -5.040 0.478 1.00 0.00 C ATOM 187 O TRP A 17 8.753 -6.120 1.057 1.00 0.00 O ATOM 188 CB TRP A 17 7.868 -3.221 2.086 1.00 0.00 C ATOM 189 CG TRP A 17 7.911 -1.713 2.337 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.341 -0.739 1.614 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.587 -1.040 3.421 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.598 0.506 2.150 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.380 0.317 3.284 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.347 -1.562 4.482 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.900 1.266 4.173 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.860 -0.601 5.362 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.661 0.769 5.238 1.00 0.00 C ATOM 0 H TRP A 17 8.691 -2.001 0.068 1.00 0.00 H new ATOM 0 HA TRP A 17 9.837 -3.926 1.875 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.915 -3.475 1.623 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.905 -3.740 3.044 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.754 -0.908 0.723 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.274 1.400 1.782 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.521 -2.620 4.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.724 2.324 4.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.452 -0.949 6.196 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.091 1.447 5.960 1.00 0.00 H new ATOM 208 N GLY A 18 8.251 -4.895 -0.776 1.00 0.00 N ATOM 209 CA GLY A 18 7.886 -6.047 -1.583 1.00 0.00 C ATOM 210 C GLY A 18 6.366 -6.162 -1.719 1.00 0.00 C ATOM 211 O GLY A 18 5.832 -7.262 -1.849 1.00 0.00 O ATOM 0 H GLY A 18 8.170 -3.997 -1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.338 -5.961 -2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.284 -6.954 -1.129 1.00 0.00 H new ATOM 215 N PHE A 19 5.712 -5.010 -1.683 1.00 0.00 N ATOM 216 CA PHE A 19 4.265 -4.967 -1.801 1.00 0.00 C ATOM 217 C PHE A 19 3.803 -3.645 -2.417 1.00 0.00 C ATOM 218 O PHE A 19 4.453 -2.615 -2.245 1.00 0.00 O ATOM 219 CB PHE A 19 3.698 -5.081 -0.384 1.00 0.00 C ATOM 220 CG PHE A 19 3.704 -3.765 0.396 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.883 -2.748 0.021 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.531 -3.613 1.465 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.889 -1.527 0.746 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.537 -2.392 2.190 1.00 0.00 C ATOM 225 CZ PHE A 19 3.716 -1.375 1.815 1.00 0.00 C ATOM 0 H PHE A 19 6.158 -4.099 -1.574 1.00 0.00 H new ATOM 0 HA PHE A 19 3.920 -5.776 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.675 -5.453 -0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.275 -5.822 0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.227 -2.869 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.183 -4.421 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.237 -0.719 0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.193 -2.271 3.039 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.721 -0.446 2.366 1.00 0.00 H new ATOM 235 N ARG A 20 2.685 -3.717 -3.124 1.00 0.00 N ATOM 236 CA ARG A 20 2.129 -2.539 -3.767 1.00 0.00 C ATOM 237 C ARG A 20 0.809 -2.143 -3.100 1.00 0.00 C ATOM 238 O ARG A 20 0.323 -2.844 -2.215 1.00 0.00 O ATOM 239 CB ARG A 20 1.885 -2.787 -5.257 1.00 0.00 C ATOM 240 CG ARG A 20 3.198 -2.745 -6.041 1.00 0.00 C ATOM 241 CD ARG A 20 3.558 -1.310 -6.431 1.00 0.00 C ATOM 242 NE ARG A 20 5.025 -1.124 -6.375 1.00 0.00 N ATOM 243 CZ ARG A 20 5.872 -1.543 -7.326 1.00 0.00 C ATOM 244 NH1 ARG A 20 5.402 -2.174 -8.411 1.00 0.00 N ATOM 245 NH2 ARG A 20 7.188 -1.330 -7.191 1.00 0.00 N ATOM 0 H ARG A 20 2.149 -4.573 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 20 2.852 -1.731 -3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.406 -3.756 -5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.200 -2.035 -5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.999 -3.174 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.110 -3.358 -6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.194 -1.095 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.068 -0.607 -5.757 1.00 0.00 H new ATOM 0 HE ARG A 20 5.416 -0.647 -5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.400 -2.335 -8.513 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.046 -2.493 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.545 -0.849 -6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.833 -1.649 -7.914 1.00 0.00 H new ATOM 259 N LEU A 21 0.268 -1.021 -3.552 1.00 0.00 N ATOM 260 CA LEU A 21 -0.985 -0.523 -3.011 1.00 0.00 C ATOM 261 C LEU A 21 -1.869 -0.028 -4.157 1.00 0.00 C ATOM 262 O LEU A 21 -1.369 0.508 -5.144 1.00 0.00 O ATOM 263 CB LEU A 21 -0.722 0.533 -1.935 1.00 0.00 C ATOM 264 CG LEU A 21 0.136 0.085 -0.751 1.00 0.00 C ATOM 265 CD1 LEU A 21 0.505 1.273 0.140 1.00 0.00 C ATOM 266 CD2 LEU A 21 -0.556 -1.029 0.038 1.00 0.00 C ATOM 0 H LEU A 21 0.675 -0.443 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.530 -1.324 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.238 1.389 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.682 0.880 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 21 1.067 -0.327 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.115 0.927 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.067 2.003 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.404 1.737 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.076 -1.329 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.512 -0.667 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.725 -1.886 -0.614 1.00 0.00 H new ATOM 278 N GLN A 22 -3.168 -0.225 -3.987 1.00 0.00 N ATOM 279 CA GLN A 22 -4.127 0.195 -4.994 1.00 0.00 C ATOM 280 C GLN A 22 -5.429 0.651 -4.331 1.00 0.00 C ATOM 281 O GLN A 22 -5.782 0.173 -3.254 1.00 0.00 O ATOM 282 CB GLN A 22 -4.389 -0.925 -6.003 1.00 0.00 C ATOM 283 CG GLN A 22 -5.060 -2.124 -5.330 1.00 0.00 C ATOM 284 CD GLN A 22 -5.575 -3.120 -6.370 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.906 -2.771 -7.491 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.623 -4.377 -5.938 1.00 0.00 N ATOM 0 H GLN A 22 -3.579 -0.670 -3.166 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.705 1.039 -5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.023 -0.553 -6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.449 -1.238 -6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.349 -2.619 -4.668 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.888 -1.781 -4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.331 -4.601 -4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.952 -5.117 -6.558 1.00 0.00 H new ATOM 295 N GLY A 23 -6.107 1.571 -5.002 1.00 0.00 N ATOM 296 CA GLY A 23 -7.361 2.096 -4.492 1.00 0.00 C ATOM 297 C GLY A 23 -7.160 3.472 -3.853 1.00 0.00 C ATOM 298 O GLY A 23 -6.171 4.150 -4.129 1.00 0.00 O ATOM 0 H GLY A 23 -5.811 1.966 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.085 2.170 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.776 1.407 -3.757 1.00 0.00 H new ATOM 302 N GLY A 24 -8.113 3.843 -3.011 1.00 0.00 N ATOM 303 CA GLY A 24 -8.053 5.125 -2.330 1.00 0.00 C ATOM 304 C GLY A 24 -9.296 5.965 -2.632 1.00 0.00 C ATOM 305 O GLY A 24 -10.214 5.501 -3.306 1.00 0.00 O ATOM 0 H GLY A 24 -8.931 3.278 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.969 4.966 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.160 5.666 -2.643 1.00 0.00 H new ATOM 309 N LYS A 25 -9.285 7.186 -2.117 1.00 0.00 N ATOM 310 CA LYS A 25 -10.399 8.095 -2.323 1.00 0.00 C ATOM 311 C LYS A 25 -10.509 8.433 -3.811 1.00 0.00 C ATOM 312 O LYS A 25 -11.603 8.431 -4.374 1.00 0.00 O ATOM 313 CB LYS A 25 -10.262 9.324 -1.422 1.00 0.00 C ATOM 314 CG LYS A 25 -11.488 9.481 -0.519 1.00 0.00 C ATOM 315 CD LYS A 25 -11.184 10.405 0.662 1.00 0.00 C ATOM 316 CE LYS A 25 -11.345 11.874 0.265 1.00 0.00 C ATOM 317 NZ LYS A 25 -10.452 12.731 1.077 1.00 0.00 N ATOM 0 H LYS A 25 -8.522 7.567 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.336 7.619 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.365 9.233 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.140 10.217 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.320 9.884 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.800 8.504 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.853 10.173 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.167 10.229 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.115 11.998 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.381 12.183 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.574 13.725 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.690 12.625 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.464 12.446 0.924 1.00 0.00 H new ATOM 331 N ASP A 26 -9.359 8.715 -4.407 1.00 0.00 N ATOM 332 CA ASP A 26 -9.312 9.054 -5.819 1.00 0.00 C ATOM 333 C ASP A 26 -9.774 7.851 -6.644 1.00 0.00 C ATOM 334 O ASP A 26 -10.239 8.009 -7.772 1.00 0.00 O ATOM 335 CB ASP A 26 -7.888 9.406 -6.254 1.00 0.00 C ATOM 336 CG ASP A 26 -7.641 9.355 -7.763 1.00 0.00 C ATOM 337 OD1 ASP A 26 -8.494 9.901 -8.496 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.605 8.772 -8.149 1.00 0.00 O ATOM 0 H ASP A 26 -8.453 8.716 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.962 9.914 -5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.652 10.408 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.195 8.722 -5.764 1.00 0.00 H new ATOM 343 N PHE A 27 -9.630 6.676 -6.049 1.00 0.00 N ATOM 344 CA PHE A 27 -10.027 5.447 -6.715 1.00 0.00 C ATOM 345 C PHE A 27 -11.433 5.021 -6.287 1.00 0.00 C ATOM 346 O PHE A 27 -11.969 4.037 -6.794 1.00 0.00 O ATOM 347 CB PHE A 27 -9.029 4.367 -6.292 1.00 0.00 C ATOM 348 CG PHE A 27 -7.667 4.476 -6.980 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.815 5.482 -6.646 1.00 0.00 C ATOM 350 CD2 PHE A 27 -7.307 3.566 -7.925 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.550 5.583 -7.284 1.00 0.00 C ATOM 352 CE2 PHE A 27 -6.043 3.667 -8.563 1.00 0.00 C ATOM 353 CZ PHE A 27 -5.191 4.673 -8.229 1.00 0.00 C ATOM 0 H PHE A 27 -9.244 6.549 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.034 5.594 -7.795 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.885 4.422 -5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.456 3.388 -6.507 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.100 6.204 -5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.983 2.767 -8.190 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.873 6.382 -7.019 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.758 2.945 -9.314 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.229 4.749 -8.714 1.00 0.00 H new ATOM 363 N ASN A 28 -11.990 5.783 -5.357 1.00 0.00 N ATOM 364 CA ASN A 28 -13.323 5.496 -4.855 1.00 0.00 C ATOM 365 C ASN A 28 -13.328 4.118 -4.191 1.00 0.00 C ATOM 366 O ASN A 28 -14.311 3.384 -4.283 1.00 0.00 O ATOM 367 CB ASN A 28 -14.348 5.477 -5.991 1.00 0.00 C ATOM 368 CG ASN A 28 -14.915 6.876 -6.241 1.00 0.00 C ATOM 369 OD1 ASN A 28 -14.203 7.817 -6.552 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.234 6.960 -6.089 1.00 0.00 N ATOM 0 H ASN A 28 -11.543 6.598 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.589 6.276 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.880 5.102 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -15.158 4.791 -5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.708 7.851 -6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.771 6.133 -5.827 1.00 0.00 H new ATOM 377 N MET A 29 -12.219 3.808 -3.537 1.00 0.00 N ATOM 378 CA MET A 29 -12.083 2.530 -2.857 1.00 0.00 C ATOM 379 C MET A 29 -11.033 2.608 -1.748 1.00 0.00 C ATOM 380 O MET A 29 -10.232 3.542 -1.710 1.00 0.00 O ATOM 381 CB MET A 29 -11.680 1.455 -3.868 1.00 0.00 C ATOM 382 CG MET A 29 -10.158 1.369 -3.999 1.00 0.00 C ATOM 383 SD MET A 29 -9.719 0.158 -5.235 1.00 0.00 S ATOM 384 CE MET A 29 -8.980 -1.092 -4.196 1.00 0.00 C ATOM 0 H MET A 29 -11.406 4.419 -3.463 1.00 0.00 H new ATOM 0 HA MET A 29 -13.042 2.276 -2.405 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.077 0.489 -3.555 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.120 1.681 -4.839 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.753 2.343 -4.272 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.717 1.098 -3.040 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.100 -2.070 -4.662 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.919 -0.878 -4.069 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.470 -1.092 -3.222 1.00 0.00 H new ATOM 394 N PRO A 30 -11.070 1.589 -0.848 1.00 0.00 N ATOM 395 CA PRO A 30 -10.131 1.533 0.259 1.00 0.00 C ATOM 396 C PRO A 30 -8.742 1.106 -0.220 1.00 0.00 C ATOM 397 O PRO A 30 -8.612 0.462 -1.260 1.00 0.00 O ATOM 398 CB PRO A 30 -10.745 0.555 1.247 1.00 0.00 C ATOM 399 CG PRO A 30 -11.765 -0.249 0.458 1.00 0.00 C ATOM 400 CD PRO A 30 -12.003 0.467 -0.862 1.00 0.00 C ATOM 0 HA PRO A 30 -9.974 2.505 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.983 -0.095 1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.219 1.082 2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.400 -1.261 0.283 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.696 -0.338 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.817 -0.193 -1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.034 0.810 -0.946 1.00 0.00 H new ATOM 408 N LEU A 31 -7.740 1.480 0.561 1.00 0.00 N ATOM 409 CA LEU A 31 -6.366 1.144 0.229 1.00 0.00 C ATOM 410 C LEU A 31 -6.120 -0.336 0.532 1.00 0.00 C ATOM 411 O LEU A 31 -6.172 -0.753 1.689 1.00 0.00 O ATOM 412 CB LEU A 31 -5.396 2.087 0.942 1.00 0.00 C ATOM 413 CG LEU A 31 -5.387 3.537 0.452 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.393 4.514 1.629 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.212 3.788 -0.495 1.00 0.00 C ATOM 0 H LEU A 31 -7.852 2.013 1.423 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.186 1.286 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.635 2.085 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.388 1.684 0.841 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.301 3.711 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.386 5.537 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.288 4.354 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.509 4.348 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.229 4.826 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.276 3.590 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.293 3.128 -1.359 1.00 0.00 H new ATOM 427 N THR A 32 -5.858 -1.088 -0.526 1.00 0.00 N ATOM 428 CA THR A 32 -5.604 -2.512 -0.387 1.00 0.00 C ATOM 429 C THR A 32 -4.241 -2.872 -0.981 1.00 0.00 C ATOM 430 O THR A 32 -3.626 -2.059 -1.669 1.00 0.00 O ATOM 431 CB THR A 32 -6.768 -3.265 -1.035 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.250 -2.368 -2.032 1.00 0.00 O ATOM 433 CG2 THR A 32 -7.954 -3.440 -0.086 1.00 0.00 C ATOM 0 H THR A 32 -5.816 -0.739 -1.483 1.00 0.00 H new ATOM 0 HA THR A 32 -5.553 -2.804 0.662 1.00 0.00 H new ATOM 0 HB THR A 32 -6.425 -4.244 -1.370 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.465 -2.869 -2.846 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.752 -3.980 -0.596 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.638 -4.004 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.320 -2.461 0.224 1.00 0.00 H new ATOM 441 N ILE A 33 -3.809 -4.091 -0.694 1.00 0.00 N ATOM 442 CA ILE A 33 -2.530 -4.568 -1.191 1.00 0.00 C ATOM 443 C ILE A 33 -2.677 -4.973 -2.659 1.00 0.00 C ATOM 444 O ILE A 33 -3.138 -6.073 -2.960 1.00 0.00 O ATOM 445 CB ILE A 33 -1.990 -5.685 -0.296 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.827 -5.202 1.146 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.687 -6.258 -0.859 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.832 -4.042 1.227 1.00 0.00 C ATOM 0 H ILE A 33 -4.322 -4.763 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.786 -3.773 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.719 -6.495 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.793 -4.885 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.483 -6.025 1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.325 -7.050 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.868 -6.665 -1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.061 -5.468 -0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.735 -3.718 2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.139 -4.369 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.191 -3.212 0.619 1.00 0.00 H new ATOM 460 N SER A 34 -2.277 -4.062 -3.534 1.00 0.00 N ATOM 461 CA SER A 34 -2.359 -4.310 -4.963 1.00 0.00 C ATOM 462 C SER A 34 -1.765 -5.682 -5.291 1.00 0.00 C ATOM 463 O SER A 34 -2.467 -6.564 -5.783 1.00 0.00 O ATOM 464 CB SER A 34 -1.637 -3.217 -5.755 1.00 0.00 C ATOM 465 OG SER A 34 -2.099 -3.139 -7.100 1.00 0.00 O ATOM 0 H SER A 34 -1.895 -3.151 -3.281 1.00 0.00 H new ATOM 0 HA SER A 34 -3.410 -4.297 -5.252 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.786 -2.255 -5.264 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.565 -3.414 -5.751 1.00 0.00 H new ATOM 0 HG SER A 34 -1.615 -2.429 -7.571 1.00 0.00 H new ATOM 471 N SER A 35 -0.479 -5.819 -5.004 1.00 0.00 N ATOM 472 CA SER A 35 0.216 -7.068 -5.262 1.00 0.00 C ATOM 473 C SER A 35 1.275 -7.310 -4.184 1.00 0.00 C ATOM 474 O SER A 35 1.515 -6.448 -3.341 1.00 0.00 O ATOM 475 CB SER A 35 0.863 -7.063 -6.649 1.00 0.00 C ATOM 476 OG SER A 35 0.152 -7.883 -7.573 1.00 0.00 O ATOM 0 H SER A 35 0.100 -5.085 -4.595 1.00 0.00 H new ATOM 0 HA SER A 35 -0.514 -7.877 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.903 -6.041 -7.027 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.892 -7.414 -6.570 1.00 0.00 H new ATOM 0 HG SER A 35 0.595 -7.852 -8.446 1.00 0.00 H new ATOM 482 N LEU A 36 1.880 -8.487 -4.248 1.00 0.00 N ATOM 483 CA LEU A 36 2.907 -8.853 -3.287 1.00 0.00 C ATOM 484 C LEU A 36 4.208 -9.160 -4.031 1.00 0.00 C ATOM 485 O LEU A 36 4.213 -9.286 -5.255 1.00 0.00 O ATOM 486 CB LEU A 36 2.423 -9.999 -2.396 1.00 0.00 C ATOM 487 CG LEU A 36 2.189 -9.652 -0.925 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.504 -9.662 -0.143 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.451 -8.319 -0.787 1.00 0.00 C ATOM 0 H LEU A 36 1.679 -9.199 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 36 3.113 -8.021 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.492 -10.386 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.154 -10.806 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 36 1.550 -10.421 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.309 -9.412 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.954 -10.653 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.187 -8.928 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.297 -8.096 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.044 -7.526 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.485 -8.384 -1.288 1.00 0.00 H new ATOM 501 N LYS A 37 5.281 -9.271 -3.261 1.00 0.00 N ATOM 502 CA LYS A 37 6.585 -9.560 -3.832 1.00 0.00 C ATOM 503 C LYS A 37 7.077 -10.911 -3.309 1.00 0.00 C ATOM 504 O LYS A 37 6.935 -11.212 -2.125 1.00 0.00 O ATOM 505 CB LYS A 37 7.555 -8.407 -3.564 1.00 0.00 C ATOM 506 CG LYS A 37 8.913 -8.671 -4.216 1.00 0.00 C ATOM 507 CD LYS A 37 9.564 -7.364 -4.675 1.00 0.00 C ATOM 508 CE LYS A 37 10.915 -7.629 -5.342 1.00 0.00 C ATOM 509 NZ LYS A 37 10.772 -7.639 -6.815 1.00 0.00 N ATOM 0 H LYS A 37 5.273 -9.166 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 37 6.516 -9.643 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.137 -7.478 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.683 -8.277 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.568 -9.179 -3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.788 -9.338 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.904 -6.851 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.700 -6.702 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.630 -6.862 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.314 -8.585 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.698 -7.820 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.105 -8.387 -7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.412 -6.717 -7.135 1.00 0.00 H new ATOM 523 N ASP A 38 7.646 -11.690 -4.218 1.00 0.00 N ATOM 524 CA ASP A 38 8.160 -13.002 -3.864 1.00 0.00 C ATOM 525 C ASP A 38 9.083 -12.872 -2.650 1.00 0.00 C ATOM 526 O ASP A 38 10.036 -12.096 -2.672 1.00 0.00 O ATOM 527 CB ASP A 38 8.970 -13.604 -5.013 1.00 0.00 C ATOM 528 CG ASP A 38 8.139 -14.275 -6.108 1.00 0.00 C ATOM 529 OD1 ASP A 38 7.224 -13.596 -6.622 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.439 -15.451 -6.408 1.00 0.00 O ATOM 0 H ASP A 38 7.762 -11.437 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 38 7.311 -13.650 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.571 -12.816 -5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.664 -14.338 -4.603 1.00 0.00 H new ATOM 535 N GLY A 39 8.767 -13.645 -1.622 1.00 0.00 N ATOM 536 CA GLY A 39 9.556 -13.627 -0.402 1.00 0.00 C ATOM 537 C GLY A 39 9.899 -12.193 0.008 1.00 0.00 C ATOM 538 O GLY A 39 11.067 -11.864 0.212 1.00 0.00 O ATOM 0 H GLY A 39 7.975 -14.288 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.003 -14.116 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.474 -14.196 -0.550 1.00 0.00 H new ATOM 542 N GLY A 40 8.860 -11.378 0.116 1.00 0.00 N ATOM 543 CA GLY A 40 9.036 -9.987 0.498 1.00 0.00 C ATOM 544 C GLY A 40 8.605 -9.758 1.948 1.00 0.00 C ATOM 545 O GLY A 40 7.766 -10.488 2.472 1.00 0.00 O ATOM 0 H GLY A 40 7.893 -11.654 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.081 -9.702 0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.452 -9.348 -0.164 1.00 0.00 H new ATOM 549 N LYS A 41 9.198 -8.740 2.554 1.00 0.00 N ATOM 550 CA LYS A 41 8.886 -8.405 3.933 1.00 0.00 C ATOM 551 C LYS A 41 7.373 -8.490 4.143 1.00 0.00 C ATOM 552 O LYS A 41 6.903 -9.232 5.005 1.00 0.00 O ATOM 553 CB LYS A 41 9.483 -7.046 4.303 1.00 0.00 C ATOM 554 CG LYS A 41 11.010 -7.118 4.371 1.00 0.00 C ATOM 555 CD LYS A 41 11.644 -6.524 3.112 1.00 0.00 C ATOM 556 CE LYS A 41 12.571 -7.535 2.435 1.00 0.00 C ATOM 557 NZ LYS A 41 12.496 -7.403 0.963 1.00 0.00 N ATOM 0 H LYS A 41 9.893 -8.136 2.115 1.00 0.00 H new ATOM 0 HA LYS A 41 9.344 -9.123 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.183 -6.300 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.087 -6.721 5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.364 -6.579 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.324 -8.156 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.862 -6.219 2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.206 -5.627 3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.597 -7.377 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.293 -8.547 2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.131 -8.097 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.520 -7.576 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.784 -6.443 0.685 1.00 0.00 H new ATOM 571 N ALA A 42 6.652 -7.720 3.342 1.00 0.00 N ATOM 572 CA ALA A 42 5.202 -7.699 3.430 1.00 0.00 C ATOM 573 C ALA A 42 4.684 -9.128 3.601 1.00 0.00 C ATOM 574 O ALA A 42 4.162 -9.481 4.657 1.00 0.00 O ATOM 575 CB ALA A 42 4.625 -7.015 2.189 1.00 0.00 C ATOM 0 H ALA A 42 7.045 -7.106 2.629 1.00 0.00 H new ATOM 0 HA ALA A 42 4.879 -7.125 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.537 -6.999 2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.000 -5.993 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.926 -7.565 1.297 1.00 0.00 H new ATOM 581 N SER A 43 4.848 -9.913 2.546 1.00 0.00 N ATOM 582 CA SER A 43 4.405 -11.297 2.566 1.00 0.00 C ATOM 583 C SER A 43 4.884 -11.981 3.847 1.00 0.00 C ATOM 584 O SER A 43 4.102 -12.636 4.535 1.00 0.00 O ATOM 585 CB SER A 43 4.911 -12.055 1.337 1.00 0.00 C ATOM 586 OG SER A 43 5.028 -13.454 1.585 1.00 0.00 O ATOM 0 H SER A 43 5.282 -9.617 1.672 1.00 0.00 H new ATOM 0 HA SER A 43 3.315 -11.308 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.229 -11.890 0.503 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.881 -11.657 1.039 1.00 0.00 H new ATOM 0 HG SER A 43 5.352 -13.904 0.777 1.00 0.00 H new ATOM 592 N GLN A 44 6.167 -11.806 4.130 1.00 0.00 N ATOM 593 CA GLN A 44 6.759 -12.399 5.316 1.00 0.00 C ATOM 594 C GLN A 44 6.083 -11.855 6.576 1.00 0.00 C ATOM 595 O GLN A 44 6.147 -12.474 7.637 1.00 0.00 O ATOM 596 CB GLN A 44 8.269 -12.155 5.356 1.00 0.00 C ATOM 597 CG GLN A 44 8.978 -12.920 4.236 1.00 0.00 C ATOM 598 CD GLN A 44 10.274 -13.557 4.742 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.453 -14.763 4.721 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.165 -12.680 5.196 1.00 0.00 N ATOM 0 H GLN A 44 6.813 -11.262 3.558 1.00 0.00 H new ATOM 0 HA GLN A 44 6.599 -13.476 5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.471 -11.088 5.257 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.666 -12.467 6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.317 -13.693 3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.199 -12.242 3.412 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.951 -11.683 5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.063 -13.005 5.555 1.00 0.00 H new ATOM 609 N ALA A 45 5.450 -10.702 6.418 1.00 0.00 N ATOM 610 CA ALA A 45 4.762 -10.067 7.529 1.00 0.00 C ATOM 611 C ALA A 45 3.288 -10.475 7.511 1.00 0.00 C ATOM 612 O ALA A 45 2.444 -9.795 8.094 1.00 0.00 O ATOM 613 CB ALA A 45 4.948 -8.551 7.446 1.00 0.00 C ATOM 0 H ALA A 45 5.399 -10.191 5.537 1.00 0.00 H new ATOM 0 HA ALA A 45 5.183 -10.396 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.432 -8.075 8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.010 -8.312 7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.535 -8.185 6.506 1.00 0.00 H new ATOM 619 N HIS A 46 3.022 -11.584 6.837 1.00 0.00 N ATOM 620 CA HIS A 46 1.664 -12.092 6.736 1.00 0.00 C ATOM 621 C HIS A 46 0.766 -11.030 6.098 1.00 0.00 C ATOM 622 O HIS A 46 -0.296 -10.708 6.629 1.00 0.00 O ATOM 623 CB HIS A 46 1.154 -12.556 8.101 1.00 0.00 C ATOM 624 CG HIS A 46 2.092 -13.497 8.819 1.00 0.00 C ATOM 625 ND1 HIS A 46 1.834 -14.849 8.963 1.00 0.00 N ATOM 626 CD2 HIS A 46 3.290 -13.267 9.431 1.00 0.00 C ATOM 627 CE1 HIS A 46 2.836 -15.398 9.633 1.00 0.00 C ATOM 628 NE2 HIS A 46 3.737 -14.415 9.923 1.00 0.00 N ATOM 0 H HIS A 46 3.724 -12.146 6.355 1.00 0.00 H new ATOM 0 HA HIS A 46 1.647 -12.970 6.090 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.981 -11.682 8.729 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.191 -13.049 7.969 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.789 -12.312 9.503 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.924 -16.440 9.902 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.611 -14.542 10.434 1.00 0.00 H new ATOM 636 N VAL A 47 1.225 -10.515 4.966 1.00 0.00 N ATOM 637 CA VAL A 47 0.476 -9.496 4.250 1.00 0.00 C ATOM 638 C VAL A 47 -0.110 -10.103 2.974 1.00 0.00 C ATOM 639 O VAL A 47 0.585 -10.232 1.967 1.00 0.00 O ATOM 640 CB VAL A 47 1.370 -8.283 3.980 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.740 -7.361 2.935 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.668 -7.523 5.274 1.00 0.00 C ATOM 0 H VAL A 47 2.106 -10.784 4.528 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.359 -9.140 4.854 1.00 0.00 H new ATOM 0 HB VAL A 47 2.317 -8.646 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.395 -6.507 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.602 -7.908 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.227 -7.010 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.305 -6.666 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.734 -7.177 5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.178 -8.184 5.975 1.00 0.00 H new ATOM 652 N ARG A 48 -1.383 -10.459 3.057 1.00 0.00 N ATOM 653 CA ARG A 48 -2.071 -11.049 1.922 1.00 0.00 C ATOM 654 C ARG A 48 -2.711 -9.957 1.063 1.00 0.00 C ATOM 655 O ARG A 48 -2.813 -8.807 1.488 1.00 0.00 O ATOM 656 CB ARG A 48 -3.154 -12.027 2.381 1.00 0.00 C ATOM 657 CG ARG A 48 -2.533 -13.290 2.983 1.00 0.00 C ATOM 658 CD ARG A 48 -1.414 -13.829 2.091 1.00 0.00 C ATOM 659 NE ARG A 48 -0.106 -13.314 2.552 1.00 0.00 N ATOM 660 CZ ARG A 48 0.660 -13.921 3.469 1.00 0.00 C ATOM 661 NH1 ARG A 48 0.253 -15.069 4.028 1.00 0.00 N ATOM 662 NH2 ARG A 48 1.833 -13.380 3.827 1.00 0.00 N ATOM 0 H ARG A 48 -1.956 -10.350 3.893 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.332 -11.593 1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.795 -11.545 3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.788 -12.296 1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.138 -13.068 3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.301 -14.053 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.413 -14.919 2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.587 -13.531 1.057 1.00 0.00 H new ATOM 0 HE ARG A 48 0.234 -12.442 2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.640 -15.481 3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.836 -15.531 4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.143 -12.506 3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.416 -13.842 4.525 1.00 0.00 H new ATOM 676 N ILE A 49 -3.126 -10.355 -0.131 1.00 0.00 N ATOM 677 CA ILE A 49 -3.754 -9.424 -1.054 1.00 0.00 C ATOM 678 C ILE A 49 -5.184 -9.140 -0.590 1.00 0.00 C ATOM 679 O ILE A 49 -5.919 -10.059 -0.233 1.00 0.00 O ATOM 680 CB ILE A 49 -3.665 -9.949 -2.488 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.216 -9.957 -2.980 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.582 -9.155 -3.420 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.155 -9.893 -4.507 1.00 0.00 C ATOM 0 H ILE A 49 -3.040 -11.309 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.224 -8.472 -1.055 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.014 -10.982 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.679 -9.109 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.714 -10.859 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.500 -9.548 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.613 -9.244 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.287 -8.106 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.114 -9.900 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.672 -10.755 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.636 -8.978 -4.852 1.00 0.00 H new ATOM 695 N GLY A 50 -5.537 -7.863 -0.612 1.00 0.00 N ATOM 696 CA GLY A 50 -6.866 -7.446 -0.199 1.00 0.00 C ATOM 697 C GLY A 50 -6.826 -6.766 1.171 1.00 0.00 C ATOM 698 O GLY A 50 -7.789 -6.115 1.573 1.00 0.00 O ATOM 0 H GLY A 50 -4.925 -7.103 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.282 -6.760 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.527 -8.312 -0.160 1.00 0.00 H new ATOM 702 N ASP A 51 -5.702 -6.942 1.851 1.00 0.00 N ATOM 703 CA ASP A 51 -5.525 -6.354 3.168 1.00 0.00 C ATOM 704 C ASP A 51 -5.740 -4.842 3.079 1.00 0.00 C ATOM 705 O ASP A 51 -5.077 -4.161 2.298 1.00 0.00 O ATOM 706 CB ASP A 51 -4.109 -6.600 3.694 1.00 0.00 C ATOM 707 CG ASP A 51 -3.783 -8.061 4.013 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.677 -8.904 3.787 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.646 -8.300 4.474 1.00 0.00 O ATOM 0 H ASP A 51 -4.905 -7.483 1.515 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.246 -6.814 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.395 -6.237 2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.964 -6.006 4.596 1.00 0.00 H new ATOM 714 N VAL A 52 -6.669 -4.360 3.892 1.00 0.00 N ATOM 715 CA VAL A 52 -6.980 -2.941 3.915 1.00 0.00 C ATOM 716 C VAL A 52 -6.093 -2.246 4.951 1.00 0.00 C ATOM 717 O VAL A 52 -5.927 -2.743 6.064 1.00 0.00 O ATOM 718 CB VAL A 52 -8.474 -2.736 4.173 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.796 -1.256 4.386 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.312 -3.322 3.036 1.00 0.00 C ATOM 0 H VAL A 52 -7.216 -4.927 4.540 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.766 -2.488 2.947 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.732 -3.269 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.864 -1.139 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.239 -0.882 5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.514 -0.691 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.370 -3.163 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.049 -2.831 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.115 -4.391 2.953 1.00 0.00 H new ATOM 730 N VAL A 53 -5.548 -1.108 4.548 1.00 0.00 N ATOM 731 CA VAL A 53 -4.683 -0.340 5.428 1.00 0.00 C ATOM 732 C VAL A 53 -5.531 0.638 6.243 1.00 0.00 C ATOM 733 O VAL A 53 -5.909 1.699 5.748 1.00 0.00 O ATOM 734 CB VAL A 53 -3.589 0.353 4.612 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.671 1.178 5.515 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.787 -0.663 3.796 1.00 0.00 C ATOM 0 H VAL A 53 -5.688 -0.699 3.624 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.176 -0.997 6.134 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.074 1.036 3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.903 1.660 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.256 1.939 6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.199 0.524 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.016 -0.145 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.319 -1.382 4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.454 -1.188 3.112 1.00 0.00 H new ATOM 746 N LEU A 54 -5.805 0.246 7.479 1.00 0.00 N ATOM 747 CA LEU A 54 -6.601 1.075 8.367 1.00 0.00 C ATOM 748 C LEU A 54 -5.868 2.394 8.621 1.00 0.00 C ATOM 749 O LEU A 54 -6.464 3.466 8.537 1.00 0.00 O ATOM 750 CB LEU A 54 -6.950 0.310 9.645 1.00 0.00 C ATOM 751 CG LEU A 54 -7.850 -0.915 9.468 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.702 -1.879 10.648 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.305 -0.499 9.247 1.00 0.00 C ATOM 0 H LEU A 54 -5.490 -0.635 7.886 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.555 1.324 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.022 -0.011 10.118 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.438 0.998 10.335 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.529 -1.449 8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.352 -2.741 10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.667 -2.213 10.717 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.982 -1.370 11.571 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.923 -1.388 9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.655 0.070 10.108 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.375 0.118 8.351 1.00 0.00 H new ATOM 765 N SER A 55 -4.584 2.271 8.927 1.00 0.00 N ATOM 766 CA SER A 55 -3.763 3.439 9.194 1.00 0.00 C ATOM 767 C SER A 55 -2.402 3.289 8.513 1.00 0.00 C ATOM 768 O SER A 55 -2.097 2.238 7.951 1.00 0.00 O ATOM 769 CB SER A 55 -3.583 3.654 10.698 1.00 0.00 C ATOM 770 OG SER A 55 -3.366 2.427 11.390 1.00 0.00 O ATOM 0 H SER A 55 -4.093 1.380 8.996 1.00 0.00 H new ATOM 0 HA SER A 55 -4.271 4.314 8.788 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.739 4.322 10.870 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.467 4.147 11.102 1.00 0.00 H new ATOM 0 HG SER A 55 -2.654 1.922 10.944 1.00 0.00 H new ATOM 776 N ILE A 56 -1.619 4.356 8.584 1.00 0.00 N ATOM 777 CA ILE A 56 -0.297 4.355 7.981 1.00 0.00 C ATOM 778 C ILE A 56 0.656 5.177 8.851 1.00 0.00 C ATOM 779 O ILE A 56 0.852 6.368 8.610 1.00 0.00 O ATOM 780 CB ILE A 56 -0.371 4.833 6.529 1.00 0.00 C ATOM 781 CG1 ILE A 56 -1.100 3.812 5.653 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.023 5.161 5.989 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.436 4.406 4.283 1.00 0.00 C ATOM 0 H ILE A 56 -1.875 5.227 9.050 1.00 0.00 H new ATOM 0 HA ILE A 56 0.103 3.342 7.939 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.952 5.755 6.501 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.478 2.926 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.016 3.490 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.943 5.498 4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.471 5.949 6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.649 4.270 6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.954 3.660 3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.078 5.277 4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.516 4.704 3.780 1.00 0.00 H new ATOM 795 N ASP A 57 1.224 4.510 9.845 1.00 0.00 N ATOM 796 CA ASP A 57 2.151 5.164 10.752 1.00 0.00 C ATOM 797 C ASP A 57 1.372 6.074 11.703 1.00 0.00 C ATOM 798 O ASP A 57 1.644 7.271 11.784 1.00 0.00 O ATOM 799 CB ASP A 57 3.154 6.028 9.985 1.00 0.00 C ATOM 800 CG ASP A 57 4.504 6.221 10.678 1.00 0.00 C ATOM 801 OD1 ASP A 57 4.563 5.938 11.895 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.447 6.646 9.976 1.00 0.00 O ATOM 0 H ASP A 57 1.060 3.523 10.042 1.00 0.00 H new ATOM 0 HA ASP A 57 2.687 4.390 11.302 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.326 5.578 9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.709 7.008 9.811 1.00 0.00 H new ATOM 807 N GLY A 58 0.417 5.473 12.398 1.00 0.00 N ATOM 808 CA GLY A 58 -0.403 6.215 13.339 1.00 0.00 C ATOM 809 C GLY A 58 -1.238 7.277 12.621 1.00 0.00 C ATOM 810 O GLY A 58 -1.833 8.142 13.262 1.00 0.00 O ATOM 0 H GLY A 58 0.193 4.480 12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.061 5.529 13.872 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.234 6.691 14.085 1.00 0.00 H new ATOM 814 N ILE A 59 -1.254 7.178 11.300 1.00 0.00 N ATOM 815 CA ILE A 59 -2.005 8.120 10.488 1.00 0.00 C ATOM 816 C ILE A 59 -3.241 7.421 9.917 1.00 0.00 C ATOM 817 O ILE A 59 -3.158 6.285 9.454 1.00 0.00 O ATOM 818 CB ILE A 59 -1.104 8.745 9.421 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.049 9.520 10.062 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.916 9.616 8.459 1.00 0.00 C ATOM 821 CD1 ILE A 59 -0.348 10.973 10.327 1.00 0.00 C ATOM 0 H ILE A 59 -0.759 6.460 10.772 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.361 8.951 11.098 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.663 7.941 8.833 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.338 9.042 10.998 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.920 9.491 9.407 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.252 10.048 7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.671 9.005 7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.404 10.416 9.016 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.489 11.502 10.783 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.613 11.455 9.386 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.204 10.999 11.001 1.00 0.00 H new ATOM 833 N SER A 60 -4.359 8.131 9.968 1.00 0.00 N ATOM 834 CA SER A 60 -5.610 7.593 9.462 1.00 0.00 C ATOM 835 C SER A 60 -5.573 7.530 7.934 1.00 0.00 C ATOM 836 O SER A 60 -5.278 8.525 7.275 1.00 0.00 O ATOM 837 CB SER A 60 -6.800 8.434 9.929 1.00 0.00 C ATOM 838 OG SER A 60 -7.644 7.715 10.823 1.00 0.00 O ATOM 0 H SER A 60 -4.424 9.074 10.352 1.00 0.00 H new ATOM 0 HA SER A 60 -5.733 6.585 9.858 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.436 9.336 10.421 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.379 8.755 9.063 1.00 0.00 H new ATOM 0 HG SER A 60 -8.373 7.296 10.319 1.00 0.00 H new ATOM 844 N ALA A 61 -5.875 6.349 7.415 1.00 0.00 N ATOM 845 CA ALA A 61 -5.880 6.142 5.977 1.00 0.00 C ATOM 846 C ALA A 61 -7.324 6.122 5.473 1.00 0.00 C ATOM 847 O ALA A 61 -7.618 5.517 4.443 1.00 0.00 O ATOM 848 CB ALA A 61 -5.128 4.852 5.644 1.00 0.00 C ATOM 0 H ALA A 61 -6.118 5.525 7.965 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.366 6.959 5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.132 4.697 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.099 4.929 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.616 4.009 6.133 1.00 0.00 H new ATOM 854 N GLN A 62 -8.188 6.792 6.222 1.00 0.00 N ATOM 855 CA GLN A 62 -9.594 6.859 5.864 1.00 0.00 C ATOM 856 C GLN A 62 -9.827 7.962 4.830 1.00 0.00 C ATOM 857 O GLN A 62 -10.484 7.737 3.815 1.00 0.00 O ATOM 858 CB GLN A 62 -10.465 7.076 7.103 1.00 0.00 C ATOM 859 CG GLN A 62 -10.938 5.741 7.682 1.00 0.00 C ATOM 860 CD GLN A 62 -10.584 5.631 9.167 1.00 0.00 C ATOM 861 OE1 GLN A 62 -9.776 6.377 9.695 1.00 0.00 O ATOM 862 NE2 GLN A 62 -11.231 4.661 9.807 1.00 0.00 N ATOM 0 H GLN A 62 -7.941 7.293 7.075 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.882 5.906 5.420 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.900 7.624 7.857 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.328 7.689 6.843 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.016 5.646 7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.478 4.919 7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.895 4.072 9.304 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.063 4.506 10.801 1.00 0.00 H new ATOM 871 N GLY A 63 -9.276 9.130 5.124 1.00 0.00 N ATOM 872 CA GLY A 63 -9.415 10.269 4.232 1.00 0.00 C ATOM 873 C GLY A 63 -8.084 10.600 3.553 1.00 0.00 C ATOM 874 O GLY A 63 -7.664 11.756 3.533 1.00 0.00 O ATOM 0 H GLY A 63 -8.732 9.313 5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.169 10.053 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.766 11.135 4.794 1.00 0.00 H new ATOM 878 N MET A 64 -7.457 9.565 3.014 1.00 0.00 N ATOM 879 CA MET A 64 -6.183 9.731 2.337 1.00 0.00 C ATOM 880 C MET A 64 -6.196 9.047 0.969 1.00 0.00 C ATOM 881 O MET A 64 -6.658 7.914 0.842 1.00 0.00 O ATOM 882 CB MET A 64 -5.066 9.135 3.196 1.00 0.00 C ATOM 883 CG MET A 64 -4.754 10.036 4.393 1.00 0.00 C ATOM 884 SD MET A 64 -2.994 10.074 4.686 1.00 0.00 S ATOM 885 CE MET A 64 -2.745 8.414 5.293 1.00 0.00 C ATOM 0 H MET A 64 -7.808 8.608 3.033 1.00 0.00 H new ATOM 0 HA MET A 64 -6.009 10.797 2.188 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.361 8.146 3.548 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.168 9.004 2.592 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.122 11.045 4.205 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.271 9.669 5.280 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.776 8.349 5.787 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.532 8.165 6.005 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.775 7.713 4.459 1.00 0.00 H new ATOM 895 N THR A 65 -5.683 9.763 -0.021 1.00 0.00 N ATOM 896 CA THR A 65 -5.629 9.239 -1.375 1.00 0.00 C ATOM 897 C THR A 65 -4.384 8.370 -1.561 1.00 0.00 C ATOM 898 O THR A 65 -3.464 8.413 -0.746 1.00 0.00 O ATOM 899 CB THR A 65 -5.695 10.422 -2.343 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.530 11.184 -2.039 1.00 0.00 O ATOM 901 CG2 THR A 65 -6.853 11.371 -2.030 1.00 0.00 C ATOM 0 H THR A 65 -5.301 10.702 0.088 1.00 0.00 H new ATOM 0 HA THR A 65 -6.477 8.585 -1.580 1.00 0.00 H new ATOM 0 HB THR A 65 -5.796 10.051 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.701 12.131 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.854 12.193 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.796 10.829 -2.098 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.735 11.769 -1.022 1.00 0.00 H new ATOM 909 N HIS A 66 -4.395 7.600 -2.640 1.00 0.00 N ATOM 910 CA HIS A 66 -3.278 6.722 -2.944 1.00 0.00 C ATOM 911 C HIS A 66 -1.963 7.483 -2.767 1.00 0.00 C ATOM 912 O HIS A 66 -1.064 7.022 -2.065 1.00 0.00 O ATOM 913 CB HIS A 66 -3.429 6.115 -4.340 1.00 0.00 C ATOM 914 CG HIS A 66 -2.802 4.750 -4.488 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.244 4.304 -5.674 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.649 3.737 -3.587 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.781 3.078 -5.484 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.033 2.728 -4.190 1.00 0.00 N ATOM 0 H HIS A 66 -5.160 7.566 -3.314 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.269 5.885 -2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.490 6.044 -4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.981 6.790 -5.069 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.197 4.831 -6.546 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.974 3.753 -2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.290 2.463 -6.224 1.00 0.00 H new ATOM 926 N LEU A 67 -1.893 8.637 -3.415 1.00 0.00 N ATOM 927 CA LEU A 67 -0.703 9.467 -3.338 1.00 0.00 C ATOM 928 C LEU A 67 -0.398 9.779 -1.871 1.00 0.00 C ATOM 929 O LEU A 67 0.717 9.553 -1.403 1.00 0.00 O ATOM 930 CB LEU A 67 -0.861 10.713 -4.211 1.00 0.00 C ATOM 931 CG LEU A 67 0.148 11.836 -3.966 1.00 0.00 C ATOM 932 CD1 LEU A 67 1.579 11.350 -4.204 1.00 0.00 C ATOM 933 CD2 LEU A 67 -0.186 13.067 -4.811 1.00 0.00 C ATOM 0 H LEU A 67 -2.641 9.016 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 67 0.160 8.934 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.792 10.411 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.864 11.113 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 67 0.079 12.134 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.276 12.168 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.801 10.527 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.681 11.008 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.547 13.851 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.162 12.800 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.181 13.428 -4.550 1.00 0.00 H new ATOM 945 N GLU A 68 -1.409 10.294 -1.186 1.00 0.00 N ATOM 946 CA GLU A 68 -1.263 10.639 0.218 1.00 0.00 C ATOM 947 C GLU A 68 -0.671 9.462 0.995 1.00 0.00 C ATOM 948 O GLU A 68 0.367 9.600 1.642 1.00 0.00 O ATOM 949 CB GLU A 68 -2.602 11.074 0.817 1.00 0.00 C ATOM 950 CG GLU A 68 -2.992 12.471 0.332 1.00 0.00 C ATOM 951 CD GLU A 68 -3.277 13.402 1.512 1.00 0.00 C ATOM 952 OE1 GLU A 68 -4.454 13.441 1.932 1.00 0.00 O ATOM 953 OE2 GLU A 68 -2.312 14.053 1.967 1.00 0.00 O ATOM 0 H GLU A 68 -2.332 10.481 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.576 11.482 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.377 10.360 0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.537 11.068 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.189 12.886 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.874 12.405 -0.305 1.00 0.00 H new ATOM 960 N ALA A 69 -1.355 8.331 0.906 1.00 0.00 N ATOM 961 CA ALA A 69 -0.909 7.131 1.593 1.00 0.00 C ATOM 962 C ALA A 69 0.513 6.790 1.145 1.00 0.00 C ATOM 963 O ALA A 69 1.388 6.549 1.975 1.00 0.00 O ATOM 964 CB ALA A 69 -1.894 5.992 1.322 1.00 0.00 C ATOM 0 H ALA A 69 -2.215 8.220 0.369 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.885 7.293 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.560 5.092 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.883 6.272 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.942 5.800 0.250 1.00 0.00 H new ATOM 970 N GLN A 70 0.701 6.782 -0.166 1.00 0.00 N ATOM 971 CA GLN A 70 2.002 6.475 -0.735 1.00 0.00 C ATOM 972 C GLN A 70 3.064 7.423 -0.172 1.00 0.00 C ATOM 973 O GLN A 70 4.159 6.992 0.184 1.00 0.00 O ATOM 974 CB GLN A 70 1.963 6.542 -2.263 1.00 0.00 C ATOM 975 CG GLN A 70 1.234 5.329 -2.846 1.00 0.00 C ATOM 976 CD GLN A 70 2.196 4.156 -3.046 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.859 3.699 -2.129 1.00 0.00 O ATOM 978 NE2 GLN A 70 2.235 3.695 -4.293 1.00 0.00 N ATOM 0 H GLN A 70 -0.027 6.983 -0.851 1.00 0.00 H new ATOM 0 HA GLN A 70 2.267 5.455 -0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.463 7.458 -2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.979 6.583 -2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.425 5.031 -2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.779 5.597 -3.799 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.654 4.123 -5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.846 2.913 -4.529 1.00 0.00 H new ATOM 987 N ASN A 71 2.701 8.696 -0.109 1.00 0.00 N ATOM 988 CA ASN A 71 3.609 9.707 0.404 1.00 0.00 C ATOM 989 C ASN A 71 4.152 9.258 1.762 1.00 0.00 C ATOM 990 O ASN A 71 5.364 9.227 1.971 1.00 0.00 O ATOM 991 CB ASN A 71 2.890 11.043 0.601 1.00 0.00 C ATOM 992 CG ASN A 71 3.462 12.116 -0.327 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.591 12.557 -0.188 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.622 12.511 -1.280 1.00 0.00 N ATOM 0 H ASN A 71 1.791 9.050 -0.405 1.00 0.00 H new ATOM 0 HA ASN A 71 4.415 9.834 -0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.825 10.919 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.989 11.364 1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.910 13.224 -1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.690 12.101 -1.341 1.00 0.00 H new ATOM 1001 N LYS A 72 3.229 8.920 2.650 1.00 0.00 N ATOM 1002 CA LYS A 72 3.599 8.473 3.982 1.00 0.00 C ATOM 1003 C LYS A 72 4.657 7.373 3.871 1.00 0.00 C ATOM 1004 O LYS A 72 5.779 7.536 4.348 1.00 0.00 O ATOM 1005 CB LYS A 72 2.358 8.054 4.772 1.00 0.00 C ATOM 1006 CG LYS A 72 1.584 9.278 5.268 1.00 0.00 C ATOM 1007 CD LYS A 72 2.311 9.950 6.434 1.00 0.00 C ATOM 1008 CE LYS A 72 2.685 8.928 7.509 1.00 0.00 C ATOM 1009 NZ LYS A 72 4.016 8.344 7.229 1.00 0.00 N ATOM 0 H LYS A 72 2.225 8.947 2.473 1.00 0.00 H new ATOM 0 HA LYS A 72 4.046 9.291 4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.712 7.441 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.654 7.438 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.461 9.990 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.584 8.978 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.211 10.445 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.675 10.722 6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.690 9.407 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.935 8.138 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.903 7.361 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.488 8.897 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.593 8.363 8.094 1.00 0.00 H new ATOM 1023 N ILE A 73 4.262 6.279 3.237 1.00 0.00 N ATOM 1024 CA ILE A 73 5.163 5.153 3.057 1.00 0.00 C ATOM 1025 C ILE A 73 6.522 5.664 2.577 1.00 0.00 C ATOM 1026 O ILE A 73 7.553 5.344 3.167 1.00 0.00 O ATOM 1027 CB ILE A 73 4.536 4.109 2.130 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.332 3.438 2.794 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.579 3.088 1.670 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.123 3.430 1.855 1.00 0.00 C ATOM 0 H ILE A 73 3.331 6.148 2.842 1.00 0.00 H new ATOM 0 HA ILE A 73 5.331 4.644 4.006 1.00 0.00 H new ATOM 0 HB ILE A 73 4.169 4.619 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.588 2.416 3.072 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.079 3.965 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.108 2.357 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.376 3.600 1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.997 2.578 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.281 2.948 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.855 4.455 1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.372 2.882 0.946 1.00 0.00 H new ATOM 1042 N LYS A 74 6.481 6.450 1.511 1.00 0.00 N ATOM 1043 CA LYS A 74 7.697 7.009 0.946 1.00 0.00 C ATOM 1044 C LYS A 74 8.514 7.670 2.057 1.00 0.00 C ATOM 1045 O LYS A 74 9.742 7.596 2.057 1.00 0.00 O ATOM 1046 CB LYS A 74 7.365 7.948 -0.216 1.00 0.00 C ATOM 1047 CG LYS A 74 7.779 7.332 -1.554 1.00 0.00 C ATOM 1048 CD LYS A 74 7.103 8.053 -2.722 1.00 0.00 C ATOM 1049 CE LYS A 74 5.625 7.672 -2.821 1.00 0.00 C ATOM 1050 NZ LYS A 74 4.825 8.818 -3.307 1.00 0.00 N ATOM 0 H LYS A 74 5.624 6.713 1.024 1.00 0.00 H new ATOM 0 HA LYS A 74 8.317 6.220 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.296 8.159 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.876 8.900 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.862 7.388 -1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.512 6.275 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.196 9.131 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.610 7.800 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.506 6.825 -3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.259 7.354 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.824 8.542 -3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.924 9.615 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.163 9.103 -4.248 1.00 0.00 H new ATOM 1064 N ALA A 75 7.800 8.301 2.977 1.00 0.00 N ATOM 1065 CA ALA A 75 8.444 8.975 4.092 1.00 0.00 C ATOM 1066 C ALA A 75 9.144 7.939 4.974 1.00 0.00 C ATOM 1067 O ALA A 75 10.236 8.187 5.482 1.00 0.00 O ATOM 1068 CB ALA A 75 7.405 9.792 4.864 1.00 0.00 C ATOM 0 H ALA A 75 6.782 8.360 2.973 1.00 0.00 H new ATOM 0 HA ALA A 75 9.204 9.669 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.888 10.298 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.959 10.533 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.627 9.128 5.242 1.00 0.00 H new ATOM 1106 N SER A 79 11.830 1.499 8.195 1.00 0.00 N ATOM 1107 CA SER A 79 10.793 0.564 8.598 1.00 0.00 C ATOM 1108 C SER A 79 9.414 1.139 8.273 1.00 0.00 C ATOM 1109 O SER A 79 9.254 2.354 8.164 1.00 0.00 O ATOM 1110 CB SER A 79 10.895 0.238 10.090 1.00 0.00 C ATOM 1111 OG SER A 79 11.375 1.346 10.846 1.00 0.00 O ATOM 0 HA SER A 79 10.933 -0.362 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.915 -0.059 10.464 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.561 -0.613 10.231 1.00 0.00 H new ATOM 0 HG SER A 79 11.774 2.006 10.242 1.00 0.00 H new ATOM 1117 N LEU A 80 8.452 0.240 8.128 1.00 0.00 N ATOM 1118 CA LEU A 80 7.091 0.644 7.818 1.00 0.00 C ATOM 1119 C LEU A 80 6.171 0.254 8.976 1.00 0.00 C ATOM 1120 O LEU A 80 6.347 -0.800 9.586 1.00 0.00 O ATOM 1121 CB LEU A 80 6.656 0.069 6.468 1.00 0.00 C ATOM 1122 CG LEU A 80 5.308 0.557 5.934 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.247 2.086 5.914 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.012 -0.046 4.559 1.00 0.00 C ATOM 0 H LEU A 80 8.588 -0.767 8.219 1.00 0.00 H new ATOM 0 HA LEU A 80 7.030 1.727 7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.423 0.305 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.619 -1.017 6.553 1.00 0.00 H new ATOM 0 HG LEU A 80 4.527 0.212 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.278 2.407 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.381 2.469 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.038 2.473 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.048 0.317 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.793 0.248 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.984 -1.133 4.637 1.00 0.00 H new ATOM 1136 N ASN A 81 5.210 1.125 9.246 1.00 0.00 N ATOM 1137 CA ASN A 81 4.262 0.885 10.321 1.00 0.00 C ATOM 1138 C ASN A 81 2.851 1.220 9.835 1.00 0.00 C ATOM 1139 O ASN A 81 2.508 2.390 9.671 1.00 0.00 O ATOM 1140 CB ASN A 81 4.568 1.768 11.532 1.00 0.00 C ATOM 1141 CG ASN A 81 5.116 0.937 12.693 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.469 0.739 13.709 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.341 0.462 12.488 1.00 0.00 N ATOM 0 H ASN A 81 5.067 1.998 8.739 1.00 0.00 H new ATOM 0 HA ASN A 81 4.338 -0.163 10.611 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.293 2.533 11.254 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.662 2.286 11.847 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.794 -0.105 13.204 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.827 0.665 11.615 1.00 0.00 H new ATOM 1150 N MET A 82 2.069 0.173 9.618 1.00 0.00 N ATOM 1151 CA MET A 82 0.703 0.341 9.154 1.00 0.00 C ATOM 1152 C MET A 82 -0.211 -0.739 9.735 1.00 0.00 C ATOM 1153 O MET A 82 0.226 -1.864 9.976 1.00 0.00 O ATOM 1154 CB MET A 82 0.670 0.270 7.626 1.00 0.00 C ATOM 1155 CG MET A 82 1.732 1.184 7.011 1.00 0.00 C ATOM 1156 SD MET A 82 1.516 1.267 5.241 1.00 0.00 S ATOM 1157 CE MET A 82 1.794 -0.444 4.815 1.00 0.00 C ATOM 0 H MET A 82 2.356 -0.796 9.755 1.00 0.00 H new ATOM 0 HA MET A 82 0.343 1.314 9.489 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.838 -0.757 7.303 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.317 0.560 7.266 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.658 2.182 7.442 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.728 0.808 7.247 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.152 -0.510 3.787 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.539 -0.870 5.487 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.861 -0.999 4.910 1.00 0.00 H new ATOM 1167 N THR A 83 -1.463 -0.360 9.945 1.00 0.00 N ATOM 1168 CA THR A 83 -2.443 -1.283 10.493 1.00 0.00 C ATOM 1169 C THR A 83 -3.249 -1.936 9.369 1.00 0.00 C ATOM 1170 O THR A 83 -3.497 -1.315 8.336 1.00 0.00 O ATOM 1171 CB THR A 83 -3.308 -0.514 11.494 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.382 0.322 12.183 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.880 -1.417 12.588 1.00 0.00 C ATOM 0 H THR A 83 -1.822 0.574 9.746 1.00 0.00 H new ATOM 0 HA THR A 83 -1.960 -2.104 11.022 1.00 0.00 H new ATOM 0 HB THR A 83 -4.125 -0.022 10.965 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.833 1.143 12.470 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.486 -0.822 13.271 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.499 -2.191 12.134 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.063 -1.883 13.139 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.636 -3.180 9.607 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.409 -3.924 8.628 1.00 0.00 C ATOM 1183 C LEU A 84 -5.791 -4.237 9.205 1.00 0.00 C ATOM 1184 O LEU A 84 -6.008 -4.106 10.409 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.640 -5.164 8.167 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.259 -4.910 7.560 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.659 -6.202 7.002 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.320 -3.804 6.504 1.00 0.00 C ATOM 0 H LEU A 84 -3.428 -3.692 10.464 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.566 -3.323 7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.523 -5.832 9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.247 -5.691 7.431 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.596 -4.563 8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.677 -5.993 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.559 -6.933 7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.313 -6.602 6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.325 -3.643 6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.003 -4.099 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.675 -2.881 6.963 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.689 -4.645 8.320 1.00 0.00 N ATOM 1201 CA GLN A 85 -8.043 -4.977 8.728 1.00 0.00 C ATOM 1202 C GLN A 85 -8.317 -6.465 8.496 1.00 0.00 C ATOM 1203 O GLN A 85 -8.135 -6.967 7.388 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.066 -4.110 7.991 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.473 -4.698 8.113 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.483 -3.875 7.311 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -12.157 -2.998 7.825 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -11.549 -4.205 6.024 1.00 0.00 N ATOM 0 H GLN A 85 -6.505 -4.753 7.323 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.142 -4.771 9.794 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.054 -3.100 8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.791 -4.031 6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.473 -5.728 7.756 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.770 -4.724 9.161 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.956 -4.950 5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.192 -3.713 5.404 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.750 -7.127 9.558 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.051 -8.546 9.484 1.00 0.00 C ATOM 1219 C ARG A 86 -10.392 -8.769 8.782 1.00 0.00 C ATOM 1220 O ARG A 86 -11.414 -8.228 9.201 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.104 -9.172 10.880 1.00 0.00 C ATOM 1222 CG ARG A 86 -7.728 -9.691 11.301 1.00 0.00 C ATOM 1223 CD ARG A 86 -6.622 -8.727 10.867 1.00 0.00 C ATOM 1224 NE ARG A 86 -5.376 -9.019 11.609 1.00 0.00 N ATOM 1225 CZ ARG A 86 -4.160 -8.601 11.231 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.020 -7.870 10.117 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.085 -8.914 11.967 1.00 0.00 N ATOM 0 H ARG A 86 -8.900 -6.707 10.475 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.254 -9.024 8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.454 -8.433 11.601 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.823 -9.991 10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.699 -9.820 12.383 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.554 -10.672 10.859 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.447 -8.820 9.795 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.932 -7.698 11.051 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.447 -9.573 12.462 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.839 -7.632 9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.095 -7.552 9.829 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.192 -9.470 12.815 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.160 -8.596 11.679 1.00 0.00 H new