USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 687 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 82 SER OG : rot -179:sc= -3.44! USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0.00295 USER MOD Set 2.2: A 84 ASN : amide:sc= -0.054 X(o=-0.051,f=0.0029) USER MOD Single : A 12 HIS : no HD1:sc= -6.09! C(o=-6.1!,f=-5.9!) USER MOD Single : A 20 ASN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= 0.0843 (180deg=-0.18) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -2.75! C(o=-4.3!,f=-2.8!) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0238 (180deg=-0.288) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -3.02! C(o=-3!,f=-5.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 73 SER OG : rot -71:sc= 0.542 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -14:sc= -0.565 USER MOD Single : A 77 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.2!) USER MOD Single : A 79 THR OG1 : rot -155:sc= -2.61 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.106 F(o=-0.89,f=-0.11) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 12.337 5.507 -1.017 1.00 0.00 N ATOM 72 CA VAL A 6 12.525 5.026 0.337 1.00 0.00 C ATOM 73 C VAL A 6 13.841 4.262 0.459 1.00 0.00 C ATOM 74 O VAL A 6 14.255 3.571 -0.471 1.00 0.00 O ATOM 75 CB VAL A 6 11.356 4.114 0.751 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.651 2.696 0.362 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.058 4.226 2.240 1.00 0.00 C ATOM 0 HA VAL A 6 12.556 5.890 1.001 1.00 0.00 H new ATOM 0 HB VAL A 6 10.461 4.443 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.819 2.057 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.788 2.636 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.560 2.363 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.227 3.568 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.940 3.935 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.793 5.255 2.482 1.00 0.00 H new ATOM 87 N TRP A 7 14.490 4.379 1.609 1.00 0.00 N ATOM 88 CA TRP A 7 15.751 3.689 1.838 1.00 0.00 C ATOM 89 C TRP A 7 15.614 2.675 2.968 1.00 0.00 C ATOM 90 O TRP A 7 15.161 3.007 4.063 1.00 0.00 O ATOM 91 CB TRP A 7 16.853 4.698 2.156 1.00 0.00 C ATOM 92 CG TRP A 7 17.141 5.624 1.015 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.480 6.779 0.709 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.160 5.469 0.022 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.026 7.352 -0.414 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.061 6.567 -0.854 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.148 4.508 -0.210 1.00 0.00 C ATOM 98 CZ2 TRP A 7 18.912 6.729 -1.944 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.992 4.670 -1.292 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.871 5.773 -2.146 1.00 0.00 C ATOM 0 H TRP A 7 14.166 4.943 2.395 1.00 0.00 H new ATOM 0 HA TRP A 7 16.020 3.151 0.929 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.562 5.283 3.028 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.764 4.162 2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.649 7.183 1.268 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.713 8.220 -0.849 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.250 3.655 0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 18.819 7.577 -2.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.758 3.933 -1.482 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.548 5.872 -2.981 1.00 0.00 H new ATOM 111 N GLY A 8 16.008 1.436 2.693 1.00 0.00 N ATOM 112 CA GLY A 8 15.915 0.391 3.705 1.00 0.00 C ATOM 113 C GLY A 8 16.961 -0.691 3.525 1.00 0.00 C ATOM 114 O GLY A 8 17.738 -0.654 2.572 1.00 0.00 O ATOM 0 H GLY A 8 16.388 1.135 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.026 0.837 4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.923 -0.059 3.667 1.00 0.00 H new ATOM 118 N ALA A 9 16.986 -1.663 4.438 1.00 0.00 N ATOM 119 CA ALA A 9 17.947 -2.754 4.361 1.00 0.00 C ATOM 120 C ALA A 9 17.235 -4.096 4.306 1.00 0.00 C ATOM 121 O ALA A 9 16.290 -4.341 5.054 1.00 0.00 O ATOM 122 CB ALA A 9 18.902 -2.710 5.542 1.00 0.00 C ATOM 0 H ALA A 9 16.352 -1.713 5.236 1.00 0.00 H new ATOM 0 HA ALA A 9 18.524 -2.633 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.612 -3.533 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.442 -1.763 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.338 -2.802 6.470 1.00 0.00 H new ATOM 128 N LEU A 10 17.696 -4.964 3.417 1.00 0.00 N ATOM 129 CA LEU A 10 17.098 -6.288 3.266 1.00 0.00 C ATOM 130 C LEU A 10 17.067 -7.020 4.600 1.00 0.00 C ATOM 131 O LEU A 10 18.077 -7.099 5.300 1.00 0.00 O ATOM 132 CB LEU A 10 17.877 -7.105 2.233 1.00 0.00 C ATOM 133 CG LEU A 10 17.024 -7.923 1.260 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.520 -7.047 0.123 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.826 -9.092 0.719 1.00 0.00 C ATOM 0 H LEU A 10 18.479 -4.779 2.790 1.00 0.00 H new ATOM 0 HA LEU A 10 16.072 -6.164 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.504 -6.425 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.546 -7.784 2.762 1.00 0.00 H new ATOM 0 HG LEU A 10 16.159 -8.313 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.916 -7.647 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.914 -6.237 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.369 -6.629 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.210 -9.667 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.706 -8.718 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.139 -9.731 1.544 1.00 0.00 H new ATOM 147 N GLY A 11 15.902 -7.551 4.946 1.00 0.00 N ATOM 148 CA GLY A 11 15.761 -8.264 6.197 1.00 0.00 C ATOM 149 C GLY A 11 15.215 -7.392 7.311 1.00 0.00 C ATOM 150 O GLY A 11 14.882 -7.892 8.385 1.00 0.00 O ATOM 0 H GLY A 11 15.053 -7.500 4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.098 -9.117 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.731 -8.661 6.495 1.00 0.00 H new ATOM 154 N HIS A 12 15.122 -6.084 7.066 1.00 0.00 N ATOM 155 CA HIS A 12 14.616 -5.163 8.067 1.00 0.00 C ATOM 156 C HIS A 12 13.227 -4.661 7.660 1.00 0.00 C ATOM 157 O HIS A 12 12.764 -4.930 6.549 1.00 0.00 O ATOM 158 CB HIS A 12 15.632 -4.024 8.257 1.00 0.00 C ATOM 159 CG HIS A 12 15.058 -2.651 8.331 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.689 -2.041 9.509 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.836 -1.755 7.354 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.263 -0.816 9.250 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.344 -0.616 7.946 1.00 0.00 N ATOM 0 H HIS A 12 15.391 -5.647 6.185 1.00 0.00 H new ATOM 0 HA HIS A 12 14.498 -5.664 9.028 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.194 -4.212 9.172 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.344 -4.056 7.433 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.012 -1.903 6.299 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.910 -0.102 9.979 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.084 0.242 7.459 1.00 0.00 H new ATOM 172 N GLY A 13 12.558 -3.959 8.571 1.00 0.00 N ATOM 173 CA GLY A 13 11.219 -3.459 8.292 1.00 0.00 C ATOM 174 C GLY A 13 11.218 -2.195 7.455 1.00 0.00 C ATOM 175 O GLY A 13 12.269 -1.643 7.157 1.00 0.00 O ATOM 0 H GLY A 13 12.917 -3.727 9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.650 -4.231 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.707 -3.264 9.234 1.00 0.00 H new ATOM 179 N ILE A 14 10.031 -1.733 7.076 1.00 0.00 N ATOM 180 CA ILE A 14 9.901 -0.522 6.271 1.00 0.00 C ATOM 181 C ILE A 14 8.437 -0.243 5.939 1.00 0.00 C ATOM 182 O ILE A 14 7.673 -1.163 5.643 1.00 0.00 O ATOM 183 CB ILE A 14 10.735 -0.616 4.967 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.935 0.769 4.352 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.092 -1.561 3.960 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.202 1.454 4.816 1.00 0.00 C ATOM 0 H ILE A 14 9.145 -2.178 7.313 1.00 0.00 H new ATOM 0 HA ILE A 14 10.289 0.306 6.864 1.00 0.00 H new ATOM 0 HB ILE A 14 11.711 -1.024 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.957 0.677 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 14 10.079 1.396 4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.703 -1.603 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.017 -2.558 4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.096 -1.199 3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.282 2.432 4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.173 1.577 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.065 0.847 4.543 1.00 0.00 H new ATOM 198 N ASP A 15 8.047 1.026 6.002 1.00 0.00 N ATOM 199 CA ASP A 15 6.671 1.415 5.716 1.00 0.00 C ATOM 200 C ASP A 15 6.593 2.314 4.485 1.00 0.00 C ATOM 201 O ASP A 15 7.263 3.344 4.410 1.00 0.00 O ATOM 202 CB ASP A 15 6.066 2.134 6.924 1.00 0.00 C ATOM 203 CG ASP A 15 4.586 1.848 7.088 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.199 0.662 7.020 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.813 2.809 7.286 1.00 0.00 O ATOM 0 H ASP A 15 8.663 1.801 6.248 1.00 0.00 H new ATOM 0 HA ASP A 15 6.102 0.508 5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.594 1.828 7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.215 3.208 6.816 1.00 0.00 H new ATOM 210 N LEU A 16 5.759 1.919 3.528 1.00 0.00 N ATOM 211 CA LEU A 16 5.573 2.690 2.302 1.00 0.00 C ATOM 212 C LEU A 16 4.501 3.757 2.519 1.00 0.00 C ATOM 213 O LEU A 16 3.312 3.446 2.591 1.00 0.00 O ATOM 214 CB LEU A 16 5.163 1.758 1.148 1.00 0.00 C ATOM 215 CG LEU A 16 6.197 1.517 0.025 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.574 2.077 0.361 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.302 0.030 -0.281 1.00 0.00 C ATOM 0 H LEU A 16 5.200 1.067 3.578 1.00 0.00 H new ATOM 0 HA LEU A 16 6.513 3.177 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.898 0.791 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.260 2.164 0.692 1.00 0.00 H new ATOM 0 HG LEU A 16 5.839 2.052 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.259 1.878 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.500 3.153 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.949 1.601 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.033 -0.128 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.617 -0.505 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.331 -0.344 -0.604 1.00 0.00 H new ATOM 229 N ASP A 17 4.927 5.010 2.645 1.00 0.00 N ATOM 230 CA ASP A 17 3.997 6.110 2.878 1.00 0.00 C ATOM 231 C ASP A 17 3.467 6.702 1.576 1.00 0.00 C ATOM 232 O ASP A 17 4.233 7.144 0.719 1.00 0.00 O ATOM 233 CB ASP A 17 4.665 7.204 3.708 1.00 0.00 C ATOM 234 CG ASP A 17 5.000 6.743 5.112 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.113 6.163 5.774 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.148 6.961 5.551 1.00 0.00 O ATOM 0 H ASP A 17 5.907 5.289 2.590 1.00 0.00 H new ATOM 0 HA ASP A 17 3.148 5.701 3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.578 7.529 3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.005 8.070 3.761 1.00 0.00 H new ATOM 241 N ILE A 18 2.145 6.715 1.451 1.00 0.00 N ATOM 242 CA ILE A 18 1.476 7.259 0.276 1.00 0.00 C ATOM 243 C ILE A 18 1.393 8.785 0.348 1.00 0.00 C ATOM 244 O ILE A 18 0.803 9.334 1.279 1.00 0.00 O ATOM 245 CB ILE A 18 0.049 6.693 0.163 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.090 5.166 0.120 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.663 7.247 -1.066 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.127 4.553 -0.530 1.00 0.00 C ATOM 0 H ILE A 18 1.508 6.350 2.159 1.00 0.00 H new ATOM 0 HA ILE A 18 2.061 6.972 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.514 7.003 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.981 4.849 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.182 4.783 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.669 6.831 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.723 8.333 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.107 6.974 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.033 3.467 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.020 4.841 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.208 4.908 -1.558 1.00 0.00 H new ATOM 260 N PRO A 19 1.984 9.495 -0.629 1.00 0.00 N ATOM 261 CA PRO A 19 1.968 10.963 -0.652 1.00 0.00 C ATOM 262 C PRO A 19 0.553 11.541 -0.701 1.00 0.00 C ATOM 263 O PRO A 19 -0.269 11.141 -1.525 1.00 0.00 O ATOM 264 CB PRO A 19 2.733 11.315 -1.933 1.00 0.00 C ATOM 265 CG PRO A 19 3.544 10.104 -2.242 1.00 0.00 C ATOM 266 CD PRO A 19 2.724 8.938 -1.777 1.00 0.00 C ATOM 0 HA PRO A 19 2.409 11.380 0.253 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.050 11.551 -2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.368 12.189 -1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.753 10.035 -3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.506 10.136 -1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.051 8.580 -2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.350 8.095 -1.484 1.00 0.00 H new ATOM 274 N ASN A 20 0.294 12.501 0.184 1.00 0.00 N ATOM 275 CA ASN A 20 -1.004 13.177 0.261 1.00 0.00 C ATOM 276 C ASN A 20 -2.191 12.213 0.142 1.00 0.00 C ATOM 277 O ASN A 20 -2.963 12.284 -0.815 1.00 0.00 O ATOM 278 CB ASN A 20 -1.099 14.247 -0.829 1.00 0.00 C ATOM 279 CG ASN A 20 -0.364 15.519 -0.456 1.00 0.00 C ATOM 280 OD1 ASN A 20 -0.970 16.583 -0.325 1.00 0.00 O ATOM 281 ND2 ASN A 20 0.948 15.415 -0.283 1.00 0.00 N ATOM 0 H ASN A 20 0.974 12.833 0.867 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.062 13.635 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.688 13.852 -1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.147 14.478 -1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.496 16.238 -0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.408 14.513 -0.402 1.00 0.00 H new ATOM 288 N PHE A 21 -2.344 11.324 1.122 1.00 0.00 N ATOM 289 CA PHE A 21 -3.442 10.371 1.126 1.00 0.00 C ATOM 290 C PHE A 21 -3.971 10.166 2.544 1.00 0.00 C ATOM 291 O PHE A 21 -3.230 10.296 3.518 1.00 0.00 O ATOM 292 CB PHE A 21 -2.973 9.049 0.527 1.00 0.00 C ATOM 293 CG PHE A 21 -3.777 7.857 0.949 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.094 7.722 0.559 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.212 6.878 1.743 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.839 6.626 0.955 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.946 5.780 2.145 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.264 5.654 1.751 1.00 0.00 C ATOM 0 H PHE A 21 -1.718 11.247 1.923 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.258 10.764 0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.003 9.126 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.932 8.887 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.548 8.480 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.182 6.973 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.868 6.530 0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.491 5.022 2.766 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.843 4.798 2.064 1.00 0.00 H new ATOM 308 N GLN A 22 -5.255 9.843 2.650 1.00 0.00 N ATOM 309 CA GLN A 22 -5.882 9.620 3.948 1.00 0.00 C ATOM 310 C GLN A 22 -6.858 8.449 3.887 1.00 0.00 C ATOM 311 O GLN A 22 -7.846 8.490 3.153 1.00 0.00 O ATOM 312 CB GLN A 22 -6.610 10.883 4.411 1.00 0.00 C ATOM 313 CG GLN A 22 -5.737 11.827 5.220 1.00 0.00 C ATOM 314 CD GLN A 22 -6.398 13.168 5.464 1.00 0.00 C ATOM 315 OE1 GLN A 22 -5.967 14.193 4.933 1.00 0.00 O ATOM 316 NE2 GLN A 22 -7.454 13.171 6.272 1.00 0.00 N ATOM 0 H GLN A 22 -5.882 9.730 1.853 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.098 9.379 4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.992 11.413 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.473 10.595 5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.499 11.364 6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.793 11.981 4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.778 12.299 6.691 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.940 14.045 6.473 1.00 0.00 H new ATOM 325 N MET A 23 -6.575 7.408 4.661 1.00 0.00 N ATOM 326 CA MET A 23 -7.428 6.226 4.696 1.00 0.00 C ATOM 327 C MET A 23 -8.620 6.441 5.622 1.00 0.00 C ATOM 328 O MET A 23 -8.590 6.052 6.790 1.00 0.00 O ATOM 329 CB MET A 23 -6.626 5.005 5.152 1.00 0.00 C ATOM 330 CG MET A 23 -7.318 3.682 4.868 1.00 0.00 C ATOM 331 SD MET A 23 -8.228 3.053 6.292 1.00 0.00 S ATOM 332 CE MET A 23 -9.741 2.500 5.510 1.00 0.00 C ATOM 0 H MET A 23 -5.761 7.358 5.273 1.00 0.00 H new ATOM 0 HA MET A 23 -7.802 6.050 3.688 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.656 5.012 4.655 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.437 5.084 6.223 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.004 3.808 4.030 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.574 2.946 4.563 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.409 2.084 6.264 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.227 3.344 5.020 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.509 1.735 4.769 1.00 0.00 H new ATOM 342 N THR A 24 -9.669 7.065 5.094 1.00 0.00 N ATOM 343 CA THR A 24 -10.872 7.333 5.872 1.00 0.00 C ATOM 344 C THR A 24 -12.086 6.652 5.248 1.00 0.00 C ATOM 345 O THR A 24 -11.957 5.881 4.298 1.00 0.00 O ATOM 346 CB THR A 24 -11.113 8.840 5.973 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.415 9.385 4.701 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.928 9.600 6.528 1.00 0.00 C ATOM 0 H THR A 24 -9.709 7.394 4.129 1.00 0.00 H new ATOM 0 HA THR A 24 -10.726 6.928 6.873 1.00 0.00 H new ATOM 0 HB THR A 24 -11.951 8.953 6.661 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.568 10.349 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.166 10.663 6.573 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.700 9.237 7.530 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.064 9.449 5.881 1.00 0.00 H new ATOM 356 N ASP A 25 -13.265 6.943 5.789 1.00 0.00 N ATOM 357 CA ASP A 25 -14.503 6.359 5.283 1.00 0.00 C ATOM 358 C ASP A 25 -14.690 6.675 3.803 1.00 0.00 C ATOM 359 O ASP A 25 -15.294 5.897 3.064 1.00 0.00 O ATOM 360 CB ASP A 25 -15.700 6.880 6.083 1.00 0.00 C ATOM 361 CG ASP A 25 -15.779 6.269 7.468 1.00 0.00 C ATOM 362 OD1 ASP A 25 -14.747 5.762 7.953 1.00 0.00 O ATOM 363 OD2 ASP A 25 -16.875 6.300 8.068 1.00 0.00 O ATOM 0 H ASP A 25 -13.389 7.579 6.577 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.439 5.277 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.631 7.964 6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.619 6.662 5.540 1.00 0.00 H new ATOM 368 N ASP A 26 -14.167 7.820 3.376 1.00 0.00 N ATOM 369 CA ASP A 26 -14.275 8.237 1.982 1.00 0.00 C ATOM 370 C ASP A 26 -13.551 7.259 1.062 1.00 0.00 C ATOM 371 O ASP A 26 -13.912 7.106 -0.104 1.00 0.00 O ATOM 372 CB ASP A 26 -13.701 9.644 1.804 1.00 0.00 C ATOM 373 CG ASP A 26 -14.487 10.466 0.801 1.00 0.00 C ATOM 374 OD1 ASP A 26 -14.857 9.916 -0.258 1.00 0.00 O ATOM 375 OD2 ASP A 26 -14.734 11.659 1.075 1.00 0.00 O ATOM 0 H ASP A 26 -13.664 8.475 3.975 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.331 8.245 1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.697 10.156 2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.664 9.572 1.477 1.00 0.00 H new ATOM 380 N ILE A 27 -12.526 6.600 1.594 1.00 0.00 N ATOM 381 CA ILE A 27 -11.753 5.640 0.827 1.00 0.00 C ATOM 382 C ILE A 27 -12.396 4.247 0.907 1.00 0.00 C ATOM 383 O ILE A 27 -12.668 3.756 2.002 1.00 0.00 O ATOM 384 CB ILE A 27 -10.307 5.575 1.355 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.647 6.956 1.263 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.496 4.545 0.586 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.734 7.583 -0.113 1.00 0.00 C ATOM 0 H ILE A 27 -12.214 6.717 2.558 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.739 5.964 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.336 5.270 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.117 7.622 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.598 6.867 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.479 4.517 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.955 3.563 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.472 4.815 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.246 8.557 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.238 6.938 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.781 7.705 -0.392 1.00 0.00 H new ATOM 399 N ASP A 28 -12.658 3.616 -0.244 1.00 0.00 N ATOM 400 CA ASP A 28 -13.285 2.302 -0.258 1.00 0.00 C ATOM 401 C ASP A 28 -12.340 1.218 -0.770 1.00 0.00 C ATOM 402 O ASP A 28 -12.309 0.116 -0.223 1.00 0.00 O ATOM 403 CB ASP A 28 -14.550 2.333 -1.118 1.00 0.00 C ATOM 404 CG ASP A 28 -15.782 1.896 -0.351 1.00 0.00 C ATOM 405 OD1 ASP A 28 -15.802 2.064 0.887 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.727 1.383 -0.987 1.00 0.00 O ATOM 0 H ASP A 28 -12.445 3.995 -1.167 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.543 2.055 0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.702 3.343 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.414 1.683 -1.982 1.00 0.00 H new ATOM 411 N GLU A 29 -11.585 1.509 -1.833 1.00 0.00 N ATOM 412 CA GLU A 29 -10.680 0.506 -2.388 1.00 0.00 C ATOM 413 C GLU A 29 -9.237 1.014 -2.473 1.00 0.00 C ATOM 414 O GLU A 29 -8.948 1.981 -3.178 1.00 0.00 O ATOM 415 CB GLU A 29 -11.176 0.074 -3.773 1.00 0.00 C ATOM 416 CG GLU A 29 -10.464 -1.145 -4.338 1.00 0.00 C ATOM 417 CD GLU A 29 -11.075 -1.622 -5.641 1.00 0.00 C ATOM 418 OE1 GLU A 29 -12.283 -1.937 -5.649 1.00 0.00 O ATOM 419 OE2 GLU A 29 -10.344 -1.680 -6.652 1.00 0.00 O ATOM 0 H GLU A 29 -11.582 2.408 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.678 -0.351 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.244 -0.138 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.053 0.906 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.413 -0.905 -4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.498 -1.953 -3.607 1.00 0.00 H new ATOM 426 N VAL A 30 -8.330 0.336 -1.761 1.00 0.00 N ATOM 427 CA VAL A 30 -6.908 0.697 -1.769 1.00 0.00 C ATOM 428 C VAL A 30 -6.061 -0.500 -2.194 1.00 0.00 C ATOM 429 O VAL A 30 -5.990 -1.498 -1.482 1.00 0.00 O ATOM 430 CB VAL A 30 -6.411 1.190 -0.387 1.00 0.00 C ATOM 431 CG1 VAL A 30 -4.969 1.670 -0.480 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.316 2.291 0.143 1.00 0.00 C ATOM 0 H VAL A 30 -8.555 -0.466 -1.172 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.800 1.515 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.447 0.355 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.636 2.013 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.333 0.850 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.904 2.492 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.952 2.625 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.315 3.130 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.331 1.908 0.248 1.00 0.00 H new ATOM 442 N ARG A 31 -5.432 -0.405 -3.363 1.00 0.00 N ATOM 443 CA ARG A 31 -4.612 -1.500 -3.870 1.00 0.00 C ATOM 444 C ARG A 31 -3.132 -1.136 -3.911 1.00 0.00 C ATOM 445 O ARG A 31 -2.758 -0.032 -4.303 1.00 0.00 O ATOM 446 CB ARG A 31 -5.082 -1.908 -5.269 1.00 0.00 C ATOM 447 CG ARG A 31 -4.972 -0.795 -6.299 1.00 0.00 C ATOM 448 CD ARG A 31 -5.922 -1.019 -7.464 1.00 0.00 C ATOM 449 NE ARG A 31 -5.781 -2.356 -8.035 1.00 0.00 N ATOM 450 CZ ARG A 31 -6.578 -2.845 -8.983 1.00 0.00 C ATOM 451 NH1 ARG A 31 -7.572 -2.112 -9.467 1.00 0.00 N ATOM 452 NH2 ARG A 31 -6.381 -4.071 -9.446 1.00 0.00 N ATOM 0 H ARG A 31 -5.474 0.412 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.730 -2.338 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.494 -2.762 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.119 -2.238 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.193 0.162 -5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.948 -0.740 -6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.949 -0.875 -7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.732 -0.273 -8.236 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.028 -2.950 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.729 -1.168 -9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.179 -2.492 -10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.619 -4.640 -9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.991 -4.446 -10.172 1.00 0.00 H new ATOM 466 N TRP A 32 -2.298 -2.095 -3.523 1.00 0.00 N ATOM 467 CA TRP A 32 -0.850 -1.920 -3.529 1.00 0.00 C ATOM 468 C TRP A 32 -0.248 -2.833 -4.589 1.00 0.00 C ATOM 469 O TRP A 32 0.185 -3.945 -4.289 1.00 0.00 O ATOM 470 CB TRP A 32 -0.256 -2.254 -2.156 1.00 0.00 C ATOM 471 CG TRP A 32 -0.437 -1.176 -1.124 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.504 -1.001 -0.284 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.490 -0.131 -0.812 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.295 0.090 0.524 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.079 0.643 0.217 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.745 0.228 -1.308 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.567 1.753 0.759 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.385 1.329 -0.770 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.796 2.080 0.254 1.00 0.00 C ATOM 0 H TRP A 32 -2.605 -3.011 -3.197 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.617 -0.880 -3.755 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.714 -3.173 -1.789 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.809 -2.453 -2.273 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.382 -1.629 -0.260 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.940 0.433 1.236 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.208 -0.345 -2.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.114 2.334 1.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.356 1.615 -1.146 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.322 2.934 0.653 1.00 0.00 H new ATOM 490 N GLU A 33 -0.256 -2.372 -5.836 1.00 0.00 N ATOM 491 CA GLU A 33 0.258 -3.172 -6.941 1.00 0.00 C ATOM 492 C GLU A 33 1.714 -2.853 -7.257 1.00 0.00 C ATOM 493 O GLU A 33 2.143 -1.701 -7.203 1.00 0.00 O ATOM 494 CB GLU A 33 -0.599 -2.963 -8.191 1.00 0.00 C ATOM 495 CG GLU A 33 -2.068 -3.293 -7.982 1.00 0.00 C ATOM 496 CD GLU A 33 -2.959 -2.681 -9.044 1.00 0.00 C ATOM 497 OE1 GLU A 33 -3.086 -1.439 -9.069 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.532 -3.444 -9.850 1.00 0.00 O ATOM 0 H GLU A 33 -0.611 -1.454 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 33 0.208 -4.216 -6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.510 -1.925 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.207 -3.582 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.197 -4.375 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.381 -2.936 -7.001 1.00 0.00 H new ATOM 505 N ARG A 34 2.458 -3.896 -7.610 1.00 0.00 N ATOM 506 CA ARG A 34 3.861 -3.765 -7.966 1.00 0.00 C ATOM 507 C ARG A 34 4.134 -4.546 -9.245 1.00 0.00 C ATOM 508 O ARG A 34 3.940 -5.762 -9.291 1.00 0.00 O ATOM 509 CB ARG A 34 4.754 -4.279 -6.835 1.00 0.00 C ATOM 510 CG ARG A 34 6.215 -3.883 -6.984 1.00 0.00 C ATOM 511 CD ARG A 34 7.055 -5.036 -7.507 1.00 0.00 C ATOM 512 NE ARG A 34 7.211 -4.985 -8.959 1.00 0.00 N ATOM 513 CZ ARG A 34 8.071 -4.184 -9.584 1.00 0.00 C ATOM 514 NH1 ARG A 34 8.852 -3.366 -8.890 1.00 0.00 N ATOM 515 NH2 ARG A 34 8.150 -4.201 -10.907 1.00 0.00 N ATOM 0 H ARG A 34 2.104 -4.852 -7.656 1.00 0.00 H new ATOM 0 HA ARG A 34 4.088 -2.711 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.378 -3.898 -5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.683 -5.366 -6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.295 -3.035 -7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.604 -3.556 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.038 -5.012 -7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.590 -5.981 -7.225 1.00 0.00 H new ATOM 0 HE ARG A 34 6.627 -5.599 -9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.795 -3.349 -7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.509 -2.755 -9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.552 -4.828 -11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.809 -3.587 -11.386 1.00 0.00 H new ATOM 529 N GLY A 35 4.557 -3.845 -10.292 1.00 0.00 N ATOM 530 CA GLY A 35 4.816 -4.509 -11.555 1.00 0.00 C ATOM 531 C GLY A 35 3.589 -5.229 -12.069 1.00 0.00 C ATOM 532 O GLY A 35 2.584 -4.602 -12.406 1.00 0.00 O ATOM 0 H GLY A 35 4.724 -2.839 -10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.143 -3.775 -12.292 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.631 -5.222 -11.431 1.00 0.00 H new ATOM 536 N SER A 36 3.671 -6.547 -12.114 1.00 0.00 N ATOM 537 CA SER A 36 2.559 -7.369 -12.575 1.00 0.00 C ATOM 538 C SER A 36 2.099 -8.320 -11.473 1.00 0.00 C ATOM 539 O SER A 36 1.871 -9.506 -11.719 1.00 0.00 O ATOM 540 CB SER A 36 2.966 -8.163 -13.819 1.00 0.00 C ATOM 541 OG SER A 36 3.966 -9.118 -13.509 1.00 0.00 O ATOM 0 H SER A 36 4.498 -7.075 -11.836 1.00 0.00 H new ATOM 0 HA SER A 36 1.730 -6.710 -12.832 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.093 -8.667 -14.234 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.335 -7.481 -14.585 1.00 0.00 H new ATOM 0 HG SER A 36 4.208 -9.613 -14.319 1.00 0.00 H new ATOM 547 N THR A 37 1.971 -7.798 -10.254 1.00 0.00 N ATOM 548 CA THR A 37 1.547 -8.612 -9.117 1.00 0.00 C ATOM 549 C THR A 37 0.928 -7.751 -8.018 1.00 0.00 C ATOM 550 O THR A 37 1.172 -6.547 -7.946 1.00 0.00 O ATOM 551 CB THR A 37 2.748 -9.381 -8.557 1.00 0.00 C ATOM 552 OG1 THR A 37 3.254 -10.287 -9.521 1.00 0.00 O ATOM 553 CG2 THR A 37 2.435 -10.172 -7.305 1.00 0.00 C ATOM 0 H THR A 37 2.154 -6.820 -10.029 1.00 0.00 H new ATOM 0 HA THR A 37 0.789 -9.314 -9.465 1.00 0.00 H new ATOM 0 HB THR A 37 3.482 -8.616 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.021 -10.768 -9.147 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.333 -10.689 -6.968 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.091 -9.495 -6.523 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.655 -10.902 -7.521 1.00 0.00 H new ATOM 561 N LEU A 38 0.143 -8.386 -7.148 1.00 0.00 N ATOM 562 CA LEU A 38 -0.491 -7.684 -6.034 1.00 0.00 C ATOM 563 C LEU A 38 0.304 -7.921 -4.760 1.00 0.00 C ATOM 564 O LEU A 38 0.891 -8.985 -4.572 1.00 0.00 O ATOM 565 CB LEU A 38 -1.935 -8.152 -5.818 1.00 0.00 C ATOM 566 CG LEU A 38 -3.027 -7.192 -6.296 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.393 -7.711 -5.875 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.788 -5.795 -5.739 1.00 0.00 C ATOM 0 H LEU A 38 -0.068 -9.383 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.508 -6.622 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.068 -9.106 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.081 -8.337 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.995 -7.134 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.165 -7.023 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.560 -8.694 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.434 -7.789 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.573 -5.125 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.800 -5.831 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.820 -5.428 -6.080 1.00 0.00 H new ATOM 580 N VAL A 39 0.314 -6.929 -3.885 1.00 0.00 N ATOM 581 CA VAL A 39 1.031 -7.040 -2.629 1.00 0.00 C ATOM 582 C VAL A 39 0.067 -6.925 -1.452 1.00 0.00 C ATOM 583 O VAL A 39 0.180 -7.659 -0.467 1.00 0.00 O ATOM 584 CB VAL A 39 2.130 -5.959 -2.524 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.657 -5.853 -1.101 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.265 -6.266 -3.498 1.00 0.00 C ATOM 0 H VAL A 39 -0.166 -6.040 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 39 1.508 -8.020 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 39 1.692 -4.997 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.429 -5.085 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.841 -5.587 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.079 -6.811 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.034 -5.497 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.697 -7.238 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.876 -6.282 -4.516 1.00 0.00 H new ATOM 596 N ALA A 40 -0.884 -6.005 -1.563 1.00 0.00 N ATOM 597 CA ALA A 40 -1.868 -5.799 -0.506 1.00 0.00 C ATOM 598 C ALA A 40 -2.954 -4.816 -0.931 1.00 0.00 C ATOM 599 O ALA A 40 -2.678 -3.646 -1.192 1.00 0.00 O ATOM 600 CB ALA A 40 -1.183 -5.298 0.755 1.00 0.00 C ATOM 0 H ALA A 40 -0.995 -5.392 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.344 -6.759 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.927 -5.147 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.450 -6.033 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.681 -4.354 0.545 1.00 0.00 H new ATOM 606 N GLU A 41 -4.194 -5.289 -0.986 1.00 0.00 N ATOM 607 CA GLU A 41 -5.310 -4.437 -1.365 1.00 0.00 C ATOM 608 C GLU A 41 -6.370 -4.417 -0.264 1.00 0.00 C ATOM 609 O GLU A 41 -6.450 -5.332 0.553 1.00 0.00 O ATOM 610 CB GLU A 41 -5.914 -4.912 -2.692 1.00 0.00 C ATOM 611 CG GLU A 41 -7.141 -5.793 -2.531 1.00 0.00 C ATOM 612 CD GLU A 41 -7.330 -6.754 -3.689 1.00 0.00 C ATOM 613 OE1 GLU A 41 -7.040 -6.363 -4.839 1.00 0.00 O ATOM 614 OE2 GLU A 41 -7.770 -7.897 -3.446 1.00 0.00 O ATOM 0 H GLU A 41 -4.449 -6.254 -0.774 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.941 -3.420 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.181 -4.041 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.155 -5.462 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.056 -6.360 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.026 -5.163 -2.439 1.00 0.00 H new ATOM 621 N PHE A 42 -7.171 -3.363 -0.253 1.00 0.00 N ATOM 622 CA PHE A 42 -8.222 -3.196 0.732 1.00 0.00 C ATOM 623 C PHE A 42 -9.583 -3.068 0.053 1.00 0.00 C ATOM 624 O PHE A 42 -9.734 -2.333 -0.922 1.00 0.00 O ATOM 625 CB PHE A 42 -7.937 -1.952 1.567 1.00 0.00 C ATOM 626 CG PHE A 42 -9.049 -1.586 2.508 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.113 -2.128 3.781 1.00 0.00 C ATOM 628 CD2 PHE A 42 -10.034 -0.698 2.111 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.141 -1.788 4.641 1.00 0.00 C ATOM 630 CE2 PHE A 42 -11.063 -0.355 2.964 1.00 0.00 C ATOM 631 CZ PHE A 42 -11.117 -0.901 4.232 1.00 0.00 C ATOM 0 H PHE A 42 -7.109 -2.601 -0.928 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.244 -4.074 1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.025 -2.113 2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.748 -1.112 0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.353 -2.823 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.997 -0.268 1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.181 -2.216 5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.825 0.339 2.641 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.921 -0.635 4.902 1.00 0.00 H new ATOM 748 N PRO A 48 -10.343 -8.502 1.302 1.00 0.00 N ATOM 749 CA PRO A 48 -9.172 -7.912 0.647 1.00 0.00 C ATOM 750 C PRO A 48 -8.191 -8.976 0.160 1.00 0.00 C ATOM 751 O PRO A 48 -8.525 -10.159 0.104 1.00 0.00 O ATOM 752 CB PRO A 48 -8.527 -7.047 1.734 1.00 0.00 C ATOM 753 CG PRO A 48 -9.497 -7.012 2.869 1.00 0.00 C ATOM 754 CD PRO A 48 -10.340 -8.246 2.748 1.00 0.00 C ATOM 0 HA PRO A 48 -9.453 -7.345 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.572 -7.467 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.325 -6.042 1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.974 -6.992 3.825 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.114 -6.115 2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.916 -9.081 3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.348 -8.086 3.132 1.00 0.00 H new ATOM 762 N PHE A 49 -6.981 -8.550 -0.194 1.00 0.00 N ATOM 763 CA PHE A 49 -5.961 -9.473 -0.677 1.00 0.00 C ATOM 764 C PHE A 49 -4.598 -9.171 -0.062 1.00 0.00 C ATOM 765 O PHE A 49 -4.001 -8.132 -0.332 1.00 0.00 O ATOM 766 CB PHE A 49 -5.856 -9.408 -2.202 1.00 0.00 C ATOM 767 CG PHE A 49 -4.729 -10.237 -2.759 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.874 -11.605 -2.922 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.522 -9.649 -3.112 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.839 -12.371 -3.424 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.487 -10.410 -3.616 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.644 -11.773 -3.772 1.00 0.00 C ATOM 0 H PHE A 49 -6.685 -7.575 -0.155 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.262 -10.476 -0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.796 -9.746 -2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.718 -8.370 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.807 -12.078 -2.654 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.392 -8.584 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.965 -13.437 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.554 -9.939 -3.889 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.834 -12.370 -4.165 1.00 0.00 H new ATOM 782 N LEU A 50 -4.108 -10.098 0.753 1.00 0.00 N ATOM 783 CA LEU A 50 -2.814 -9.951 1.392 1.00 0.00 C ATOM 784 C LEU A 50 -1.812 -10.922 0.771 1.00 0.00 C ATOM 785 O LEU A 50 -1.950 -12.137 0.918 1.00 0.00 O ATOM 786 CB LEU A 50 -2.947 -10.225 2.890 1.00 0.00 C ATOM 787 CG LEU A 50 -3.203 -8.993 3.761 1.00 0.00 C ATOM 788 CD1 LEU A 50 -3.222 -9.375 5.233 1.00 0.00 C ATOM 789 CD2 LEU A 50 -2.152 -7.926 3.496 1.00 0.00 C ATOM 0 H LEU A 50 -4.595 -10.964 0.985 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.455 -8.932 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.762 -10.933 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.035 -10.711 3.236 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.179 -8.584 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.405 -8.486 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.013 -10.103 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.261 -9.809 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.349 -7.057 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.164 -8.324 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.189 -7.632 2.447 1.00 0.00 H new ATOM 801 N LYS A 51 -0.812 -10.389 0.068 1.00 0.00 N ATOM 802 CA LYS A 51 0.199 -11.225 -0.578 1.00 0.00 C ATOM 803 C LYS A 51 0.684 -12.334 0.355 1.00 0.00 C ATOM 804 O LYS A 51 0.730 -13.503 -0.028 1.00 0.00 O ATOM 805 CB LYS A 51 1.382 -10.370 -1.036 1.00 0.00 C ATOM 806 CG LYS A 51 2.503 -11.168 -1.680 1.00 0.00 C ATOM 807 CD LYS A 51 3.417 -10.279 -2.507 1.00 0.00 C ATOM 808 CE LYS A 51 4.699 -11.000 -2.891 1.00 0.00 C ATOM 809 NZ LYS A 51 5.819 -10.671 -1.967 1.00 0.00 N ATOM 0 H LYS A 51 -0.681 -9.387 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.262 -11.693 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.025 -9.624 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.781 -9.829 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.084 -11.670 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.079 -11.946 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.895 -9.958 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.660 -9.379 -1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.526 -12.076 -2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.977 -10.729 -3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.707 -10.610 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.631 -9.758 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.903 -11.414 -1.244 1.00 0.00 H new ATOM 823 N SER A 52 1.039 -11.961 1.581 1.00 0.00 N ATOM 824 CA SER A 52 1.510 -12.928 2.566 1.00 0.00 C ATOM 825 C SER A 52 1.793 -12.254 3.905 1.00 0.00 C ATOM 826 O SER A 52 1.809 -11.027 4.004 1.00 0.00 O ATOM 827 CB SER A 52 2.768 -13.639 2.059 1.00 0.00 C ATOM 828 OG SER A 52 2.670 -15.041 2.241 1.00 0.00 O ATOM 0 H SER A 52 1.009 -10.998 1.915 1.00 0.00 H new ATOM 0 HA SER A 52 0.722 -13.666 2.714 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.915 -13.416 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.642 -13.261 2.589 1.00 0.00 H new ATOM 0 HG SER A 52 3.485 -15.472 1.908 1.00 0.00 H new ATOM 834 N GLY A 53 2.002 -13.069 4.936 1.00 0.00 N ATOM 835 CA GLY A 53 2.269 -12.535 6.271 1.00 0.00 C ATOM 836 C GLY A 53 3.411 -11.523 6.303 1.00 0.00 C ATOM 837 O GLY A 53 3.595 -10.838 7.309 1.00 0.00 O ATOM 0 H GLY A 53 1.992 -14.087 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.364 -12.062 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.506 -13.360 6.943 1.00 0.00 H new ATOM 841 N ALA A 54 4.191 -11.425 5.218 1.00 0.00 N ATOM 842 CA ALA A 54 5.310 -10.488 5.175 1.00 0.00 C ATOM 843 C ALA A 54 4.849 -9.040 5.022 1.00 0.00 C ATOM 844 O ALA A 54 5.671 -8.124 4.971 1.00 0.00 O ATOM 845 CB ALA A 54 6.263 -10.860 4.049 1.00 0.00 C ATOM 0 H ALA A 54 4.066 -11.978 4.370 1.00 0.00 H new ATOM 0 HA ALA A 54 5.830 -10.561 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.093 -10.154 4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.647 -11.867 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.733 -10.826 3.097 1.00 0.00 H new ATOM 851 N PHE A 55 3.538 -8.832 4.957 1.00 0.00 N ATOM 852 CA PHE A 55 2.989 -7.488 4.816 1.00 0.00 C ATOM 853 C PHE A 55 1.786 -7.284 5.728 1.00 0.00 C ATOM 854 O PHE A 55 1.120 -8.241 6.123 1.00 0.00 O ATOM 855 CB PHE A 55 2.570 -7.219 3.371 1.00 0.00 C ATOM 856 CG PHE A 55 3.648 -7.484 2.363 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.607 -6.524 2.096 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.696 -8.685 1.678 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.598 -6.756 1.163 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.683 -8.924 0.742 1.00 0.00 C ATOM 861 CZ PHE A 55 5.637 -7.958 0.483 1.00 0.00 C ATOM 0 H PHE A 55 2.839 -9.573 4.999 1.00 0.00 H new ATOM 0 HA PHE A 55 3.775 -6.789 5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.705 -7.838 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.252 -6.180 3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.580 -5.582 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.954 -9.444 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.342 -5.999 0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.709 -9.865 0.213 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.410 -8.142 -0.248 1.00 0.00 H new ATOM 871 N GLU A 56 1.510 -6.025 6.043 1.00 0.00 N ATOM 872 CA GLU A 56 0.381 -5.675 6.893 1.00 0.00 C ATOM 873 C GLU A 56 -0.140 -4.288 6.533 1.00 0.00 C ATOM 874 O GLU A 56 0.597 -3.301 6.600 1.00 0.00 O ATOM 875 CB GLU A 56 0.786 -5.719 8.368 1.00 0.00 C ATOM 876 CG GLU A 56 -0.382 -5.554 9.325 1.00 0.00 C ATOM 877 CD GLU A 56 -0.870 -6.877 9.882 1.00 0.00 C ATOM 878 OE1 GLU A 56 -0.777 -7.895 9.164 1.00 0.00 O ATOM 879 OE2 GLU A 56 -1.346 -6.896 11.037 1.00 0.00 O ATOM 0 H GLU A 56 2.056 -5.226 5.720 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.413 -6.403 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.281 -6.669 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.516 -4.932 8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.084 -4.905 10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.203 -5.056 8.808 1.00 0.00 H new ATOM 886 N ILE A 57 -1.406 -4.221 6.141 1.00 0.00 N ATOM 887 CA ILE A 57 -2.018 -2.954 5.760 1.00 0.00 C ATOM 888 C ILE A 57 -2.340 -2.101 6.985 1.00 0.00 C ATOM 889 O ILE A 57 -3.307 -2.359 7.702 1.00 0.00 O ATOM 890 CB ILE A 57 -3.301 -3.167 4.928 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.817 -1.829 4.395 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.376 -3.869 5.751 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.476 -1.932 3.037 1.00 0.00 C ATOM 0 H ILE A 57 -2.028 -5.027 6.079 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.288 -2.428 5.145 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.056 -3.808 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.532 -1.415 5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.986 -1.127 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.269 -4.007 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.007 -4.841 6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.622 -3.262 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.817 -0.946 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.758 -2.316 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.328 -2.609 3.097 1.00 0.00 H new ATOM 905 N LEU A 58 -1.520 -1.083 7.219 1.00 0.00 N ATOM 906 CA LEU A 58 -1.710 -0.186 8.355 1.00 0.00 C ATOM 907 C LEU A 58 -3.119 0.401 8.361 1.00 0.00 C ATOM 908 O LEU A 58 -3.865 0.266 7.390 1.00 0.00 O ATOM 909 CB LEU A 58 -0.672 0.940 8.314 1.00 0.00 C ATOM 910 CG LEU A 58 0.418 0.861 9.386 1.00 0.00 C ATOM 911 CD1 LEU A 58 1.070 -0.513 9.394 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.459 1.943 9.153 1.00 0.00 C ATOM 0 H LEU A 58 -0.714 -0.857 6.636 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.578 -0.763 9.270 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.196 0.938 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.190 1.894 8.415 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.043 1.021 10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.841 -0.545 10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.316 -1.272 9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.520 -0.708 8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.230 1.878 9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.913 1.806 8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.983 2.922 9.199 1.00 0.00 H new ATOM 924 N ALA A 59 -3.478 1.049 9.464 1.00 0.00 N ATOM 925 CA ALA A 59 -4.799 1.653 9.604 1.00 0.00 C ATOM 926 C ALA A 59 -4.975 2.845 8.666 1.00 0.00 C ATOM 927 O ALA A 59 -6.099 3.200 8.308 1.00 0.00 O ATOM 928 CB ALA A 59 -5.031 2.079 11.046 1.00 0.00 C ATOM 0 H ALA A 59 -2.872 1.170 10.276 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.539 0.902 9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.020 2.528 11.138 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.966 1.208 11.698 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.273 2.807 11.337 1.00 0.00 H new ATOM 934 N ASN A 60 -3.865 3.465 8.272 1.00 0.00 N ATOM 935 CA ASN A 60 -3.913 4.618 7.379 1.00 0.00 C ATOM 936 C ASN A 60 -3.686 4.201 5.928 1.00 0.00 C ATOM 937 O ASN A 60 -3.108 4.950 5.140 1.00 0.00 O ATOM 938 CB ASN A 60 -2.872 5.661 7.797 1.00 0.00 C ATOM 939 CG ASN A 60 -1.449 5.158 7.649 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.978 4.410 8.640 1.00 0.00 O flip ATOM 941 ND2 ASN A 60 -0.777 5.446 6.658 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.925 3.189 8.556 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.907 5.059 7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.000 6.559 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.046 5.947 8.834 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.179 6.024 5.920 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.181 5.107 6.576 1.00 0.00 H new ATOM 948 N GLY A 61 -4.149 3.003 5.579 1.00 0.00 N ATOM 949 CA GLY A 61 -3.991 2.512 4.221 1.00 0.00 C ATOM 950 C GLY A 61 -2.540 2.452 3.785 1.00 0.00 C ATOM 951 O GLY A 61 -2.233 2.619 2.604 1.00 0.00 O ATOM 0 H GLY A 61 -4.630 2.364 6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.430 1.517 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.545 3.157 3.539 1.00 0.00 H new ATOM 955 N ASP A 62 -1.646 2.212 4.737 1.00 0.00 N ATOM 956 CA ASP A 62 -0.219 2.130 4.440 1.00 0.00 C ATOM 957 C ASP A 62 0.226 0.680 4.277 1.00 0.00 C ATOM 958 O ASP A 62 -0.550 -0.249 4.505 1.00 0.00 O ATOM 959 CB ASP A 62 0.598 2.803 5.546 1.00 0.00 C ATOM 960 CG ASP A 62 1.730 3.647 4.994 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.458 4.777 4.538 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.887 3.178 5.018 1.00 0.00 O ATOM 0 H ASP A 62 -1.882 2.071 5.719 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.044 2.652 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.059 3.430 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.007 2.040 6.208 1.00 0.00 H new ATOM 967 N LEU A 63 1.482 0.494 3.883 1.00 0.00 N ATOM 968 CA LEU A 63 2.038 -0.848 3.691 1.00 0.00 C ATOM 969 C LEU A 63 3.133 -1.125 4.716 1.00 0.00 C ATOM 970 O LEU A 63 4.127 -0.402 4.780 1.00 0.00 O ATOM 971 CB LEU A 63 2.615 -0.981 2.282 1.00 0.00 C ATOM 972 CG LEU A 63 2.937 -2.409 1.842 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.682 -3.115 1.357 1.00 0.00 C ATOM 974 CD2 LEU A 63 3.997 -2.394 0.753 1.00 0.00 C ATOM 0 H LEU A 63 2.136 1.252 3.690 1.00 0.00 H new ATOM 0 HA LEU A 63 1.235 -1.573 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.906 -0.551 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.526 -0.385 2.222 1.00 0.00 H new ATOM 0 HG LEU A 63 3.326 -2.959 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.932 -4.130 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.950 -3.151 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.263 -2.571 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.219 -3.416 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.630 -1.830 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.904 -1.925 1.134 1.00 0.00 H new ATOM 986 N LYS A 64 2.951 -2.171 5.516 1.00 0.00 N ATOM 987 CA LYS A 64 3.935 -2.523 6.531 1.00 0.00 C ATOM 988 C LYS A 64 4.714 -3.774 6.134 1.00 0.00 C ATOM 989 O LYS A 64 4.192 -4.887 6.197 1.00 0.00 O ATOM 990 CB LYS A 64 3.249 -2.741 7.882 1.00 0.00 C ATOM 991 CG LYS A 64 3.941 -2.033 9.036 1.00 0.00 C ATOM 992 CD LYS A 64 4.992 -2.921 9.683 1.00 0.00 C ATOM 993 CE LYS A 64 5.691 -2.209 10.831 1.00 0.00 C ATOM 994 NZ LYS A 64 4.731 -1.774 11.882 1.00 0.00 N ATOM 0 H LYS A 64 2.137 -2.785 5.481 1.00 0.00 H new ATOM 0 HA LYS A 64 4.639 -1.695 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.219 -2.392 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.211 -3.810 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.409 -1.117 8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.201 -1.740 9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.523 -3.834 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.728 -3.220 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.434 -2.873 11.271 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.227 -1.341 10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.254 -1.496 12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.180 -0.964 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.087 -2.558 12.110 1.00 0.00 H new ATOM 1008 N ILE A 65 5.969 -3.583 5.737 1.00 0.00 N ATOM 1009 CA ILE A 65 6.827 -4.695 5.343 1.00 0.00 C ATOM 1010 C ILE A 65 7.517 -5.286 6.572 1.00 0.00 C ATOM 1011 O ILE A 65 8.000 -4.550 7.431 1.00 0.00 O ATOM 1012 CB ILE A 65 7.891 -4.255 4.316 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.296 -3.232 3.333 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.446 -5.468 3.579 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.188 -2.926 2.146 1.00 0.00 C ATOM 0 H ILE A 65 6.414 -2.667 5.680 1.00 0.00 H new ATOM 0 HA ILE A 65 6.195 -5.450 4.876 1.00 0.00 H new ATOM 0 HB ILE A 65 8.714 -3.774 4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.340 -3.607 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.091 -2.305 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.196 -5.144 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.903 -6.151 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.637 -5.978 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.698 -2.197 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.136 -2.519 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.373 -3.842 1.584 1.00 0.00 H new ATOM 1027 N LYS A 66 7.541 -6.613 6.666 1.00 0.00 N ATOM 1028 CA LYS A 66 8.151 -7.284 7.814 1.00 0.00 C ATOM 1029 C LYS A 66 9.627 -7.592 7.590 1.00 0.00 C ATOM 1030 O LYS A 66 10.447 -7.448 8.496 1.00 0.00 O ATOM 1031 CB LYS A 66 7.395 -8.575 8.134 1.00 0.00 C ATOM 1032 CG LYS A 66 7.886 -9.270 9.392 1.00 0.00 C ATOM 1033 CD LYS A 66 7.803 -10.782 9.261 1.00 0.00 C ATOM 1034 CE LYS A 66 8.767 -11.477 10.209 1.00 0.00 C ATOM 1035 NZ LYS A 66 8.321 -12.859 10.540 1.00 0.00 N ATOM 0 H LYS A 66 7.148 -7.243 5.967 1.00 0.00 H new ATOM 0 HA LYS A 66 8.084 -6.598 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.335 -8.348 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.488 -9.259 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.917 -8.977 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.291 -8.944 10.245 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.785 -11.111 9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.028 -11.072 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.758 -11.514 9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.857 -10.895 11.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.005 -13.299 11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.387 -12.823 10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.260 -13.422 9.668 1.00 0.00 H new ATOM 1049 N ASN A 67 9.953 -8.025 6.387 1.00 0.00 N ATOM 1050 CA ASN A 67 11.327 -8.369 6.042 1.00 0.00 C ATOM 1051 C ASN A 67 11.637 -7.976 4.603 1.00 0.00 C ATOM 1052 O ASN A 67 11.137 -8.588 3.660 1.00 0.00 O ATOM 1053 CB ASN A 67 11.555 -9.870 6.236 1.00 0.00 C ATOM 1054 CG ASN A 67 12.967 -10.296 5.887 1.00 0.00 C ATOM 1055 OD1 ASN A 67 13.401 -10.168 4.743 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.692 -10.809 6.874 1.00 0.00 N ATOM 0 H ASN A 67 9.285 -8.149 5.626 1.00 0.00 H new ATOM 0 HA ASN A 67 11.997 -7.817 6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.346 -10.134 7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.849 -10.424 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.649 -11.115 6.698 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.292 -10.897 7.808 1.00 0.00 H new ATOM 1063 N LEU A 68 12.463 -6.948 4.440 1.00 0.00 N ATOM 1064 CA LEU A 68 12.833 -6.473 3.119 1.00 0.00 C ATOM 1065 C LEU A 68 13.491 -7.571 2.301 1.00 0.00 C ATOM 1066 O LEU A 68 14.202 -8.422 2.834 1.00 0.00 O ATOM 1067 CB LEU A 68 13.762 -5.273 3.237 1.00 0.00 C ATOM 1068 CG LEU A 68 13.056 -3.981 3.630 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.944 -3.132 4.524 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.634 -3.207 2.395 1.00 0.00 C ATOM 0 H LEU A 68 12.887 -6.430 5.209 1.00 0.00 H new ATOM 0 HA LEU A 68 11.923 -6.171 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.532 -5.494 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.269 -5.123 2.284 1.00 0.00 H new ATOM 0 HG LEU A 68 12.159 -4.239 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.420 -2.215 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.188 -3.689 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.863 -2.883 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.132 -2.288 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.514 -2.962 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.952 -3.815 1.800 1.00 0.00 H new ATOM 1082 N THR A 69 13.239 -7.538 1.001 1.00 0.00 N ATOM 1083 CA THR A 69 13.795 -8.529 0.085 1.00 0.00 C ATOM 1084 C THR A 69 14.038 -7.929 -1.298 1.00 0.00 C ATOM 1085 O THR A 69 13.440 -6.916 -1.662 1.00 0.00 O ATOM 1086 CB THR A 69 12.859 -9.732 -0.025 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.508 -9.313 -0.089 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.987 -10.695 1.136 1.00 0.00 C ATOM 0 H THR A 69 12.652 -6.834 0.553 1.00 0.00 H new ATOM 0 HA THR A 69 14.754 -8.856 0.487 1.00 0.00 H new ATOM 0 HB THR A 69 13.155 -10.247 -0.939 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.925 -10.098 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.296 -11.526 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.007 -11.075 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.750 -10.178 2.066 1.00 0.00 H new ATOM 1096 N ARG A 70 14.922 -8.563 -2.065 1.00 0.00 N ATOM 1097 CA ARG A 70 15.255 -8.095 -3.411 1.00 0.00 C ATOM 1098 C ARG A 70 13.996 -7.851 -4.237 1.00 0.00 C ATOM 1099 O ARG A 70 13.774 -6.748 -4.736 1.00 0.00 O ATOM 1100 CB ARG A 70 16.152 -9.112 -4.118 1.00 0.00 C ATOM 1101 CG ARG A 70 17.605 -9.053 -3.677 1.00 0.00 C ATOM 1102 CD ARG A 70 18.277 -7.770 -4.138 1.00 0.00 C ATOM 1103 NE ARG A 70 19.055 -7.967 -5.359 1.00 0.00 N ATOM 1104 CZ ARG A 70 20.224 -8.603 -5.397 1.00 0.00 C ATOM 1105 NH1 ARG A 70 20.752 -9.103 -4.287 1.00 0.00 N ATOM 1106 NH2 ARG A 70 20.866 -8.738 -6.549 1.00 0.00 N ATOM 0 H ARG A 70 15.422 -9.404 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 70 15.789 -7.150 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.766 -10.114 -3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.100 -8.943 -5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 70 17.659 -9.123 -2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 70 18.143 -9.911 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 70 17.519 -7.006 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 70 18.930 -7.399 -3.348 1.00 0.00 H new ATOM 0 HE ARG A 70 18.681 -7.596 -6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 70 20.262 -9.001 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 70 21.648 -9.589 -4.323 1.00 0.00 H new ATOM 0 HH21 ARG A 70 20.464 -8.355 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 70 21.762 -9.225 -6.580 1.00 0.00 H new ATOM 1120 N ASP A 71 13.175 -8.886 -4.374 1.00 0.00 N ATOM 1121 CA ASP A 71 11.935 -8.782 -5.138 1.00 0.00 C ATOM 1122 C ASP A 71 11.073 -7.628 -4.632 1.00 0.00 C ATOM 1123 O ASP A 71 10.220 -7.117 -5.358 1.00 0.00 O ATOM 1124 CB ASP A 71 11.151 -10.094 -5.057 1.00 0.00 C ATOM 1125 CG ASP A 71 9.873 -10.057 -5.872 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.963 -9.999 -7.116 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.781 -10.086 -5.266 1.00 0.00 O ATOM 0 H ASP A 71 13.344 -9.806 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 71 12.196 -8.584 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.780 -10.912 -5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.908 -10.305 -4.016 1.00 0.00 H new ATOM 1132 N ASP A 72 11.297 -7.220 -3.384 1.00 0.00 N ATOM 1133 CA ASP A 72 10.533 -6.127 -2.794 1.00 0.00 C ATOM 1134 C ASP A 72 11.086 -4.767 -3.223 1.00 0.00 C ATOM 1135 O ASP A 72 10.427 -3.742 -3.055 1.00 0.00 O ATOM 1136 CB ASP A 72 10.540 -6.238 -1.267 1.00 0.00 C ATOM 1137 CG ASP A 72 9.171 -5.995 -0.665 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.233 -6.751 -0.996 1.00 0.00 O ATOM 1139 OD2 ASP A 72 9.035 -5.047 0.138 1.00 0.00 O ATOM 0 H ASP A 72 11.998 -7.629 -2.766 1.00 0.00 H new ATOM 0 HA ASP A 72 9.507 -6.204 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.890 -7.229 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.248 -5.518 -0.856 1.00 0.00 H new ATOM 1144 N SER A 73 12.298 -4.761 -3.776 1.00 0.00 N ATOM 1145 CA SER A 73 12.925 -3.523 -4.225 1.00 0.00 C ATOM 1146 C SER A 73 12.447 -3.149 -5.623 1.00 0.00 C ATOM 1147 O SER A 73 12.326 -4.009 -6.496 1.00 0.00 O ATOM 1148 CB SER A 73 14.450 -3.665 -4.214 1.00 0.00 C ATOM 1149 OG SER A 73 14.925 -4.198 -5.439 1.00 0.00 O ATOM 0 H SER A 73 12.862 -5.598 -3.923 1.00 0.00 H new ATOM 0 HA SER A 73 12.637 -2.728 -3.537 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.907 -2.691 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.751 -4.313 -3.391 1.00 0.00 H new ATOM 0 HG SER A 73 14.671 -5.142 -5.505 1.00 0.00 H new ATOM 1155 N GLY A 74 12.178 -1.864 -5.835 1.00 0.00 N ATOM 1156 CA GLY A 74 11.721 -1.416 -7.137 1.00 0.00 C ATOM 1157 C GLY A 74 10.751 -0.241 -7.048 1.00 0.00 C ATOM 1158 O GLY A 74 11.076 0.779 -6.439 1.00 0.00 O ATOM 0 H GLY A 74 12.268 -1.130 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.582 -1.127 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.235 -2.245 -7.652 1.00 0.00 H new ATOM 1162 N THR A 75 9.566 -0.361 -7.657 1.00 0.00 N ATOM 1163 CA THR A 75 8.584 0.724 -7.630 1.00 0.00 C ATOM 1164 C THR A 75 7.194 0.194 -7.273 1.00 0.00 C ATOM 1165 O THR A 75 6.711 -0.764 -7.877 1.00 0.00 O ATOM 1166 CB THR A 75 8.557 1.425 -8.995 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.546 2.437 -9.054 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.229 2.068 -9.331 1.00 0.00 C ATOM 0 H THR A 75 9.267 -1.191 -8.169 1.00 0.00 H new ATOM 0 HA THR A 75 8.874 1.442 -6.863 1.00 0.00 H new ATOM 0 HB THR A 75 8.744 0.633 -9.721 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.516 2.873 -9.931 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.292 2.542 -10.311 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.449 1.306 -9.346 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.988 2.820 -8.579 1.00 0.00 H new ATOM 1176 N TYR A 76 6.555 0.833 -6.297 1.00 0.00 N ATOM 1177 CA TYR A 76 5.217 0.436 -5.870 1.00 0.00 C ATOM 1178 C TYR A 76 4.178 1.411 -6.412 1.00 0.00 C ATOM 1179 O TYR A 76 4.475 2.585 -6.632 1.00 0.00 O ATOM 1180 CB TYR A 76 5.135 0.382 -4.342 1.00 0.00 C ATOM 1181 CG TYR A 76 5.835 -0.815 -3.738 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.218 -0.927 -3.783 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.114 -1.831 -3.122 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.863 -2.017 -3.231 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.753 -2.924 -2.567 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.127 -3.012 -2.624 1.00 0.00 C ATOM 1187 OH TYR A 76 7.765 -4.098 -2.071 1.00 0.00 O ATOM 0 H TYR A 76 6.942 1.627 -5.787 1.00 0.00 H new ATOM 0 HA TYR A 76 5.011 -0.558 -6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.571 1.292 -3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.087 0.368 -4.043 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.799 -0.150 -4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.037 -1.766 -3.076 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.940 -2.089 -3.275 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.178 -3.705 -2.091 1.00 0.00 H new ATOM 0 HH TYR A 76 8.691 -4.130 -2.389 1.00 0.00 H new ATOM 1197 N ASN A 77 2.963 0.920 -6.630 1.00 0.00 N ATOM 1198 CA ASN A 77 1.889 1.756 -7.155 1.00 0.00 C ATOM 1199 C ASN A 77 0.603 1.577 -6.354 1.00 0.00 C ATOM 1200 O ASN A 77 0.077 0.466 -6.243 1.00 0.00 O ATOM 1201 CB ASN A 77 1.633 1.422 -8.626 1.00 0.00 C ATOM 1202 CG ASN A 77 2.361 2.359 -9.569 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.115 3.565 -9.577 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.261 1.807 -10.374 1.00 0.00 N ATOM 0 H ASN A 77 2.697 -0.049 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 77 2.203 2.796 -7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.948 0.397 -8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.562 1.471 -8.825 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.780 2.387 -11.033 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.433 0.802 -10.334 1.00 0.00 H new ATOM 1211 N VAL A 78 0.093 2.679 -5.808 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.142 2.638 -5.032 1.00 0.00 C ATOM 1213 C VAL A 78 -2.292 3.283 -5.798 1.00 0.00 C ATOM 1214 O VAL A 78 -2.186 4.426 -6.252 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.024 3.348 -3.662 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.848 2.607 -2.619 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.428 3.489 -3.211 1.00 0.00 C ATOM 0 H VAL A 78 0.513 3.605 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.338 1.580 -4.859 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.418 4.358 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.759 3.114 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.894 2.591 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.482 1.585 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.462 3.993 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.879 2.501 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.982 4.074 -3.945 1.00 0.00 H new ATOM 1227 N THR A 79 -3.400 2.553 -5.916 1.00 0.00 N ATOM 1228 CA THR A 79 -4.584 3.056 -6.601 1.00 0.00 C ATOM 1229 C THR A 79 -5.729 3.200 -5.605 1.00 0.00 C ATOM 1230 O THR A 79 -6.418 2.231 -5.287 1.00 0.00 O ATOM 1231 CB THR A 79 -4.988 2.125 -7.749 1.00 0.00 C ATOM 1232 OG1 THR A 79 -3.996 1.138 -7.971 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.210 2.855 -9.054 1.00 0.00 C ATOM 0 H THR A 79 -3.500 1.609 -5.544 1.00 0.00 H new ATOM 0 HA THR A 79 -4.354 4.033 -7.027 1.00 0.00 H new ATOM 0 HB THR A 79 -5.929 1.671 -7.437 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.049 0.823 -8.898 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.494 2.141 -9.827 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.006 3.590 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.291 3.362 -9.348 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.911 4.415 -5.106 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.955 4.696 -4.129 1.00 0.00 C ATOM 1243 C VAL A 80 -8.271 5.056 -4.812 1.00 0.00 C ATOM 1244 O VAL A 80 -8.311 5.909 -5.698 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.532 5.846 -3.184 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.667 6.235 -2.248 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.289 5.468 -2.385 1.00 0.00 C ATOM 0 H VAL A 80 -5.347 5.225 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.102 3.788 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.292 6.710 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.340 7.045 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.525 6.565 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.950 5.374 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.013 6.294 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.497 4.582 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.467 5.258 -3.069 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.348 4.402 -4.385 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.667 4.655 -4.945 1.00 0.00 C ATOM 1259 C TYR A 81 -11.660 5.039 -3.860 1.00 0.00 C ATOM 1260 O TYR A 81 -11.509 4.667 -2.692 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.187 3.432 -5.681 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.385 3.062 -6.908 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.591 3.715 -8.118 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.424 2.061 -6.860 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -9.863 3.381 -9.244 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.690 1.721 -7.982 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.913 2.383 -9.169 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.186 2.046 -10.288 1.00 0.00 O ATOM 0 H TYR A 81 -9.330 3.693 -3.652 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.565 5.484 -5.646 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.194 2.585 -4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.221 3.611 -5.976 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.333 4.497 -8.179 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.247 1.539 -5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.036 3.898 -10.176 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.946 0.940 -7.928 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.559 1.326 -10.066 1.00 0.00 H new ATOM 1278 N SER A 82 -12.680 5.775 -4.274 1.00 0.00 N ATOM 1279 CA SER A 82 -13.730 6.236 -3.373 1.00 0.00 C ATOM 1280 C SER A 82 -14.851 5.210 -3.255 1.00 0.00 C ATOM 1281 O SER A 82 -14.846 4.183 -3.934 1.00 0.00 O ATOM 1282 CB SER A 82 -14.298 7.571 -3.860 1.00 0.00 C ATOM 1283 OG SER A 82 -13.765 7.926 -5.124 1.00 0.00 O ATOM 0 H SER A 82 -12.805 6.070 -5.242 1.00 0.00 H new ATOM 0 HA SER A 82 -13.286 6.370 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.384 7.504 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.070 8.352 -3.134 1.00 0.00 H new ATOM 0 HG SER A 82 -14.134 8.790 -5.404 1.00 0.00 H new ATOM 1289 N THR A 83 -15.813 5.503 -2.389 1.00 0.00 N ATOM 1290 CA THR A 83 -16.952 4.616 -2.175 1.00 0.00 C ATOM 1291 C THR A 83 -17.780 4.464 -3.450 1.00 0.00 C ATOM 1292 O THR A 83 -18.513 3.489 -3.610 1.00 0.00 O ATOM 1293 CB THR A 83 -17.834 5.149 -1.043 1.00 0.00 C ATOM 1294 OG1 THR A 83 -18.106 6.527 -1.227 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.214 4.982 0.328 1.00 0.00 C ATOM 0 H THR A 83 -15.828 6.350 -1.821 1.00 0.00 H new ATOM 0 HA THR A 83 -16.565 3.635 -1.898 1.00 0.00 H new ATOM 0 HB THR A 83 -18.748 4.557 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.672 6.849 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 83 -17.891 5.380 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.037 3.924 0.521 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.268 5.522 0.368 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.658 5.433 -4.354 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.397 5.399 -5.611 1.00 0.00 C ATOM 1305 C ASN A 84 -17.547 4.813 -6.735 1.00 0.00 C ATOM 1306 O ASN A 84 -17.776 5.097 -7.911 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.861 6.807 -5.990 1.00 0.00 C ATOM 1308 CG ASN A 84 -20.146 7.201 -5.289 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -21.180 7.399 -5.927 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.087 7.318 -3.967 1.00 0.00 N ATOM 0 H ASN A 84 -17.056 6.248 -4.239 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.268 4.758 -5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.079 7.524 -5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.008 6.860 -7.069 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.920 7.581 -3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.209 7.144 -3.478 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.567 3.992 -6.368 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.702 3.378 -7.360 1.00 0.00 C ATOM 1319 C GLY A 85 -15.010 4.400 -8.242 1.00 0.00 C ATOM 1320 O GLY A 85 -14.659 4.105 -9.385 1.00 0.00 O ATOM 0 H GLY A 85 -16.357 3.741 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.951 2.771 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.290 2.705 -7.983 1.00 0.00 H new ATOM 1324 N THR A 86 -14.813 5.602 -7.712 1.00 0.00 N ATOM 1325 CA THR A 86 -14.158 6.669 -8.461 1.00 0.00 C ATOM 1326 C THR A 86 -12.674 6.743 -8.114 1.00 0.00 C ATOM 1327 O THR A 86 -12.251 6.283 -7.055 1.00 0.00 O ATOM 1328 CB THR A 86 -14.830 8.013 -8.169 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.139 7.819 -7.660 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.939 8.904 -9.387 1.00 0.00 C ATOM 0 H THR A 86 -15.097 5.862 -6.768 1.00 0.00 H new ATOM 0 HA THR A 86 -14.255 6.446 -9.524 1.00 0.00 H new ATOM 0 HB THR A 86 -14.190 8.503 -7.436 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.552 8.689 -7.478 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.424 9.840 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.942 9.113 -9.775 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.529 8.402 -10.154 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.890 7.326 -9.015 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.452 7.459 -8.801 1.00 0.00 C ATOM 1340 C ARG A 87 -10.155 8.608 -7.843 1.00 0.00 C ATOM 1341 O ARG A 87 -10.358 9.775 -8.176 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.725 7.686 -10.132 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.410 7.042 -11.329 1.00 0.00 C ATOM 1344 CD ARG A 87 -11.174 8.067 -12.152 1.00 0.00 C ATOM 1345 NE ARG A 87 -11.080 7.797 -13.585 1.00 0.00 N ATOM 1346 CZ ARG A 87 -11.486 8.646 -14.527 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -12.013 9.818 -14.192 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -11.364 8.323 -15.807 1.00 0.00 N ATOM 0 H ARG A 87 -12.224 7.713 -9.898 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.090 6.531 -8.358 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.639 8.758 -10.309 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.711 7.294 -10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.665 6.553 -11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.095 6.267 -10.984 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.222 8.066 -11.851 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.783 9.063 -11.944 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.680 6.906 -13.881 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.108 10.072 -13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.322 10.464 -14.918 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.959 7.424 -16.070 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.675 8.973 -16.529 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.678 8.267 -6.651 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.358 9.267 -5.641 1.00 0.00 C ATOM 1364 C ILE A 88 -7.891 9.681 -5.715 1.00 0.00 C ATOM 1365 O ILE A 88 -7.578 10.872 -5.736 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.672 8.747 -4.221 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -11.175 8.505 -4.068 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.178 9.725 -3.161 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -12.000 9.772 -4.137 1.00 0.00 C ATOM 0 H ILE A 88 -9.505 7.305 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.981 10.137 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.148 7.802 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.507 7.822 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.360 8.012 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.411 9.336 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.100 9.851 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.670 10.688 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -13.055 9.526 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.696 10.448 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.844 10.256 -5.101 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.995 8.700 -5.746 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.567 8.987 -5.806 1.00 0.00 C ATOM 1383 C LEU A 89 -4.787 7.846 -6.453 1.00 0.00 C ATOM 1384 O LEU A 89 -5.152 6.677 -6.338 1.00 0.00 O ATOM 1385 CB LEU A 89 -5.027 9.257 -4.397 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.499 9.275 -4.272 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -3.053 10.367 -3.310 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.985 7.917 -3.814 1.00 0.00 C ATOM 0 H LEU A 89 -7.230 7.707 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.433 9.874 -6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.414 10.217 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.421 8.496 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.077 9.490 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.966 10.364 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.388 11.336 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.485 10.184 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.899 7.948 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.416 7.673 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.271 7.156 -4.540 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.696 8.208 -7.117 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.823 7.244 -7.776 1.00 0.00 C ATOM 1402 C ASN A 90 -1.373 7.664 -7.576 1.00 0.00 C ATOM 1403 O ASN A 90 -0.927 8.661 -8.143 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.149 7.156 -9.268 1.00 0.00 C ATOM 1405 CG ASN A 90 -2.342 6.083 -9.974 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -2.351 4.875 -9.420 1.00 0.00 O flip ATOM 1407 ND2 ASN A 90 -1.718 6.336 -11.004 1.00 0.00 N flip ATOM 0 H ASN A 90 -3.392 9.177 -7.214 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.980 6.259 -7.337 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.212 6.949 -9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.955 8.121 -9.737 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.739 7.278 -11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.180 5.604 -11.467 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.647 6.924 -6.745 1.00 0.00 N ATOM 1415 CA LYS A 91 0.745 7.268 -6.458 1.00 0.00 C ATOM 1416 C LYS A 91 1.714 6.153 -6.836 1.00 0.00 C ATOM 1417 O LYS A 91 1.335 4.988 -6.953 1.00 0.00 O ATOM 1418 CB LYS A 91 0.909 7.605 -4.975 1.00 0.00 C ATOM 1419 CG LYS A 91 0.125 8.831 -4.538 1.00 0.00 C ATOM 1420 CD LYS A 91 0.981 10.086 -4.586 1.00 0.00 C ATOM 1421 CE LYS A 91 1.026 10.677 -5.986 1.00 0.00 C ATOM 1422 NZ LYS A 91 1.664 12.022 -6.001 1.00 0.00 N ATOM 0 H LYS A 91 -0.991 6.093 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 91 0.989 8.137 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.590 6.749 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.966 7.766 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.744 8.957 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.249 8.683 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.584 10.825 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.993 9.850 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.577 10.007 -6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.013 10.751 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.675 12.390 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.124 12.669 -5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.639 11.948 -5.648 1.00 0.00 H new ATOM 1436 N ALA A 92 2.975 6.537 -7.012 1.00 0.00 N ATOM 1437 CA ALA A 92 4.037 5.605 -7.363 1.00 0.00 C ATOM 1438 C ALA A 92 5.316 5.964 -6.614 1.00 0.00 C ATOM 1439 O ALA A 92 5.819 7.081 -6.734 1.00 0.00 O ATOM 1440 CB ALA A 92 4.277 5.620 -8.863 1.00 0.00 C ATOM 0 H ALA A 92 3.287 7.503 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 92 3.733 4.599 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.074 4.919 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.363 5.329 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.567 6.623 -9.175 1.00 0.00 H new ATOM 1446 N LEU A 93 5.833 5.023 -5.831 1.00 0.00 N ATOM 1447 CA LEU A 93 7.046 5.265 -5.056 1.00 0.00 C ATOM 1448 C LEU A 93 8.152 4.280 -5.418 1.00 0.00 C ATOM 1449 O LEU A 93 7.894 3.225 -5.997 1.00 0.00 O ATOM 1450 CB LEU A 93 6.744 5.171 -3.557 1.00 0.00 C ATOM 1451 CG LEU A 93 5.394 5.747 -3.128 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.267 4.788 -3.480 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.393 6.046 -1.636 1.00 0.00 C ATOM 0 H LEU A 93 5.435 4.091 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 93 7.394 6.269 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.785 4.123 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.532 5.689 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 93 5.231 6.680 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.314 5.215 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.254 4.622 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.424 3.838 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.425 6.455 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.578 5.127 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.175 6.771 -1.410 1.00 0.00 H new ATOM 1465 N ASP A 94 9.385 4.632 -5.062 1.00 0.00 N ATOM 1466 CA ASP A 94 10.538 3.785 -5.335 1.00 0.00 C ATOM 1467 C ASP A 94 11.089 3.209 -4.033 1.00 0.00 C ATOM 1468 O ASP A 94 11.388 3.949 -3.095 1.00 0.00 O ATOM 1469 CB ASP A 94 11.625 4.580 -6.058 1.00 0.00 C ATOM 1470 CG ASP A 94 11.441 4.576 -7.563 1.00 0.00 C ATOM 1471 OD1 ASP A 94 10.585 5.338 -8.057 1.00 0.00 O ATOM 1472 OD2 ASP A 94 12.153 3.811 -8.246 1.00 0.00 O ATOM 0 H ASP A 94 9.610 5.503 -4.581 1.00 0.00 H new ATOM 0 HA ASP A 94 10.220 2.964 -5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.620 5.608 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.601 4.161 -5.813 1.00 0.00 H new ATOM 1477 N LEU A 95 11.216 1.887 -3.974 1.00 0.00 N ATOM 1478 CA LEU A 95 11.719 1.227 -2.779 1.00 0.00 C ATOM 1479 C LEU A 95 13.146 0.722 -2.985 1.00 0.00 C ATOM 1480 O LEU A 95 13.358 -0.323 -3.604 1.00 0.00 O ATOM 1481 CB LEU A 95 10.813 0.051 -2.406 1.00 0.00 C ATOM 1482 CG LEU A 95 10.576 -0.155 -0.906 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.919 -1.501 -0.657 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.879 -0.051 -0.123 1.00 0.00 C ATOM 0 H LEU A 95 10.978 1.255 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 95 11.723 1.959 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.847 0.192 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.246 -0.862 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 95 9.910 0.635 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.756 -1.634 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.962 -1.541 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.566 -2.296 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.679 -0.201 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.575 -0.813 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.316 0.936 -0.273 1.00 0.00 H new ATOM 1496 N ARG A 96 14.117 1.461 -2.455 1.00 0.00 N ATOM 1497 CA ARG A 96 15.520 1.077 -2.569 1.00 0.00 C ATOM 1498 C ARG A 96 15.978 0.353 -1.306 1.00 0.00 C ATOM 1499 O ARG A 96 16.112 0.955 -0.236 1.00 0.00 O ATOM 1500 CB ARG A 96 16.410 2.296 -2.838 1.00 0.00 C ATOM 1501 CG ARG A 96 15.649 3.543 -3.273 1.00 0.00 C ATOM 1502 CD ARG A 96 14.939 3.323 -4.600 1.00 0.00 C ATOM 1503 NE ARG A 96 15.801 2.670 -5.584 1.00 0.00 N ATOM 1504 CZ ARG A 96 15.347 2.018 -6.653 1.00 0.00 C ATOM 1505 NH1 ARG A 96 14.043 1.933 -6.883 1.00 0.00 N ATOM 1506 NH2 ARG A 96 16.201 1.453 -7.495 1.00 0.00 N ATOM 0 H ARG A 96 13.958 2.329 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 96 15.614 0.399 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 96 16.975 2.526 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.135 2.039 -3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.920 3.812 -2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.341 4.381 -3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.049 2.715 -4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.602 4.282 -4.994 1.00 0.00 H new ATOM 0 HE ARG A 96 16.810 2.717 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.382 2.368 -6.239 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.701 1.432 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 96 17.204 1.518 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.855 0.953 -8.314 1.00 0.00 H new ATOM 1520 N ILE A 97 16.199 -0.952 -1.436 1.00 0.00 N ATOM 1521 CA ILE A 97 16.621 -1.773 -0.308 1.00 0.00 C ATOM 1522 C ILE A 97 18.061 -2.244 -0.461 1.00 0.00 C ATOM 1523 O ILE A 97 18.376 -3.040 -1.346 1.00 0.00 O ATOM 1524 CB ILE A 97 15.716 -3.010 -0.144 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.252 -2.653 -0.417 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.875 -3.595 1.250 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.412 -3.837 -0.842 1.00 0.00 C ATOM 0 H ILE A 97 16.092 -1.463 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 97 16.542 -1.141 0.577 1.00 0.00 H new ATOM 0 HB ILE A 97 16.021 -3.761 -0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.819 -2.215 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.211 -1.890 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.231 -4.468 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.913 -3.889 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.595 -2.847 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.387 -3.511 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.820 -4.263 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.423 -4.592 -0.056 1.00 0.00 H new ATOM 1539 N LEU A 98 18.930 -1.757 0.416 1.00 0.00 N ATOM 1540 CA LEU A 98 20.324 -2.125 0.402 1.00 0.00 C ATOM 1541 C LEU A 98 20.494 -3.591 0.785 1.00 0.00 C ATOM 1542 O LEU A 98 20.092 -4.014 1.870 1.00 0.00 O ATOM 1543 CB LEU A 98 21.078 -1.228 1.373 1.00 0.00 C ATOM 1544 CG LEU A 98 21.748 -0.011 0.741 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.489 0.799 1.792 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.691 -0.439 -0.373 1.00 0.00 C ATOM 0 H LEU A 98 18.680 -1.097 1.153 1.00 0.00 H new ATOM 0 HA LEU A 98 20.726 -1.994 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.384 -0.884 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.840 -1.823 1.876 1.00 0.00 H new ATOM 0 HG LEU A 98 20.973 0.622 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.960 1.662 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.786 1.139 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.254 0.178 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 98 23.159 0.442 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.461 -1.095 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.129 -0.972 -1.141 1.00 0.00 H new