USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 870 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 37 TYR OH : rot -11:sc= 0.0027 USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= -0.074 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.348 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 68:sc= 0.511 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.145 X(o=0.15,f=-0.021) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.143 F(o=-0.94,f=-0.14) USER MOD Single : A 49 LYS NZ :NH3+ -117:sc= -0.558 (180deg=-0.943) USER MOD Single : A 51 THR OG1 : rot 54:sc= 0.186 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 71 THR OG1 : rot 82:sc= -0.0388 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 37:sc= 0.294 USER MOD Single : A 89 TYR OH : rot 31:sc= -2.25! USER MOD Single : A 91 MET CE :methyl 148:sc= -2.49 (180deg=-4.45!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.792 F(o=-1.5,f=-0.79) USER MOD Single : A 99 LYS NZ :NH3+ 153:sc= -0.593 (180deg=-1.98!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0438 K(o=-0.044,f=-0.57) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.203 K(o=-0.2,f=-0.92) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 12:sc= 0.678 USER MOD Single : A 114 TYR OH : rot -30:sc= -0.794 USER MOD Single : A 117 LYS NZ :NH3+ 158:sc= -0.151 (180deg=-0.738) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 8.996 26.251 0.521 1.00 0.00 N ATOM 110 CA GLU A 12 8.672 25.412 -0.627 1.00 0.00 C ATOM 111 C GLU A 12 7.309 24.749 -0.449 1.00 0.00 C ATOM 112 O GLU A 12 6.639 24.946 0.565 1.00 0.00 O ATOM 113 CB GLU A 12 9.748 24.344 -0.827 1.00 0.00 C ATOM 114 CG GLU A 12 10.978 24.849 -1.564 1.00 0.00 C ATOM 115 CD GLU A 12 10.861 24.695 -3.068 1.00 0.00 C ATOM 116 OE1 GLU A 12 10.596 23.566 -3.530 1.00 0.00 O ATOM 117 OE2 GLU A 12 11.035 25.705 -3.782 1.00 0.00 O ATOM 0 HA GLU A 12 8.635 26.049 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.051 23.959 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.320 23.509 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.136 25.900 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.855 24.305 -1.214 1.00 0.00 H new ATOM 124 N ARG A 13 6.905 23.963 -1.442 1.00 0.00 N ATOM 125 CA ARG A 13 5.622 23.273 -1.396 1.00 0.00 C ATOM 126 C ARG A 13 5.558 22.323 -0.203 1.00 0.00 C ATOM 127 O ARG A 13 6.552 22.118 0.492 1.00 0.00 O ATOM 128 CB ARG A 13 5.391 22.495 -2.693 1.00 0.00 C ATOM 129 CG ARG A 13 6.462 21.455 -2.979 1.00 0.00 C ATOM 130 CD ARG A 13 6.499 21.084 -4.453 1.00 0.00 C ATOM 131 NE ARG A 13 7.663 20.266 -4.783 1.00 0.00 N ATOM 132 CZ ARG A 13 7.770 19.556 -5.901 1.00 0.00 C ATOM 133 NH1 ARG A 13 6.788 19.566 -6.792 1.00 0.00 N ATOM 134 NH2 ARG A 13 8.860 18.836 -6.129 1.00 0.00 N ATOM 0 H ARG A 13 7.448 23.788 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 13 4.838 24.022 -1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.421 22.001 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.347 23.198 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.435 21.840 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.272 20.562 -2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.590 20.542 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.512 21.992 -5.055 1.00 0.00 H new ATOM 0 HE ARG A 13 8.436 20.238 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.949 20.119 -6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.872 19.020 -7.650 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.617 18.827 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.941 18.291 -6.988 1.00 0.00 H new ATOM 148 N GLN A 14 4.382 21.748 0.026 1.00 0.00 N ATOM 149 CA GLN A 14 4.188 20.822 1.135 1.00 0.00 C ATOM 150 C GLN A 14 3.384 19.604 0.693 1.00 0.00 C ATOM 151 O GLN A 14 2.190 19.705 0.408 1.00 0.00 O ATOM 152 CB GLN A 14 3.478 21.523 2.295 1.00 0.00 C ATOM 153 CG GLN A 14 4.424 22.255 3.234 1.00 0.00 C ATOM 154 CD GLN A 14 3.775 23.453 3.898 1.00 0.00 C ATOM 155 OE1 GLN A 14 2.956 23.308 4.805 1.00 0.00 O ATOM 156 NE2 GLN A 14 4.140 24.648 3.448 1.00 0.00 N ATOM 0 H GLN A 14 3.550 21.907 -0.542 1.00 0.00 H new ATOM 0 HA GLN A 14 5.169 20.485 1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.757 22.234 1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.914 20.784 2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.775 21.565 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.301 22.584 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.823 24.722 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.738 25.492 3.857 1.00 0.00 H new ATOM 165 N LEU A 15 4.045 18.453 0.639 1.00 0.00 N ATOM 166 CA LEU A 15 3.392 17.214 0.231 1.00 0.00 C ATOM 167 C LEU A 15 2.455 16.707 1.323 1.00 0.00 C ATOM 168 O LEU A 15 2.844 16.595 2.486 1.00 0.00 O ATOM 169 CB LEU A 15 4.438 16.146 -0.094 1.00 0.00 C ATOM 170 CG LEU A 15 3.981 14.694 0.046 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.714 14.453 -0.759 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.084 13.742 -0.395 1.00 0.00 C ATOM 0 H LEU A 15 5.033 18.352 0.873 1.00 0.00 H new ATOM 0 HA LEU A 15 2.802 17.421 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.780 16.301 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.299 16.299 0.557 1.00 0.00 H new ATOM 0 HG LEU A 15 3.762 14.503 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.404 13.414 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.922 15.109 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.906 14.663 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.741 12.713 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.335 13.934 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.967 13.896 0.225 1.00 0.00 H new ATOM 184 N SER A 16 1.220 16.401 0.940 1.00 0.00 N ATOM 185 CA SER A 16 0.226 15.908 1.887 1.00 0.00 C ATOM 186 C SER A 16 -0.269 14.523 1.482 1.00 0.00 C ATOM 187 O SER A 16 -0.734 14.304 0.363 1.00 0.00 O ATOM 188 CB SER A 16 -0.953 16.878 1.973 1.00 0.00 C ATOM 189 OG SER A 16 -1.606 16.777 3.227 1.00 0.00 O ATOM 0 H SER A 16 0.883 16.486 -0.019 1.00 0.00 H new ATOM 0 HA SER A 16 0.698 15.834 2.867 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.600 17.898 1.824 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.662 16.666 1.172 1.00 0.00 H new ATOM 0 HG SER A 16 -2.355 17.408 3.258 1.00 0.00 H new ATOM 195 N PRO A 17 -0.167 13.563 2.414 1.00 0.00 N ATOM 196 CA PRO A 17 -0.600 12.182 2.179 1.00 0.00 C ATOM 197 C PRO A 17 -2.117 12.059 2.077 1.00 0.00 C ATOM 198 O PRO A 17 -2.633 11.298 1.260 1.00 0.00 O ATOM 199 CB PRO A 17 -0.084 11.434 3.410 1.00 0.00 C ATOM 200 CG PRO A 17 0.012 12.475 4.473 1.00 0.00 C ATOM 201 CD PRO A 17 0.377 13.752 3.769 1.00 0.00 C ATOM 0 HA PRO A 17 -0.220 11.791 1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.764 10.633 3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.885 10.975 3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.934 12.579 5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.766 12.208 5.214 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.061 14.621 4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.456 13.906 3.751 1.00 0.00 H new ATOM 209 N GLU A 18 -2.824 12.814 2.911 1.00 0.00 N ATOM 210 CA GLU A 18 -4.282 12.788 2.914 1.00 0.00 C ATOM 211 C GLU A 18 -4.836 13.170 1.544 1.00 0.00 C ATOM 212 O GLU A 18 -5.791 12.565 1.057 1.00 0.00 O ATOM 213 CB GLU A 18 -4.829 13.740 3.980 1.00 0.00 C ATOM 214 CG GLU A 18 -4.281 15.153 3.874 1.00 0.00 C ATOM 215 CD GLU A 18 -4.681 16.024 5.049 1.00 0.00 C ATOM 216 OE1 GLU A 18 -5.779 16.617 5.001 1.00 0.00 O ATOM 217 OE2 GLU A 18 -3.896 16.113 6.016 1.00 0.00 O ATOM 0 H GLU A 18 -2.412 13.451 3.593 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.601 11.772 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.916 13.774 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.593 13.341 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.194 15.113 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.638 15.609 2.951 1.00 0.00 H new ATOM 224 N LYS A 19 -4.229 14.178 0.927 1.00 0.00 N ATOM 225 CA LYS A 19 -4.659 14.641 -0.387 1.00 0.00 C ATOM 226 C LYS A 19 -4.325 13.612 -1.463 1.00 0.00 C ATOM 227 O LYS A 19 -5.163 13.287 -2.305 1.00 0.00 O ATOM 228 CB LYS A 19 -3.993 15.978 -0.722 1.00 0.00 C ATOM 229 CG LYS A 19 -4.595 17.159 0.018 1.00 0.00 C ATOM 230 CD LYS A 19 -6.041 17.392 -0.386 1.00 0.00 C ATOM 231 CE LYS A 19 -6.210 17.360 -1.897 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.527 17.912 -2.320 1.00 0.00 N ATOM 0 H LYS A 19 -3.437 14.690 1.316 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.740 14.776 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.931 15.915 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.071 16.154 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.540 16.983 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.010 18.055 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.674 16.630 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.376 18.355 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.409 17.933 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.116 16.333 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.603 17.873 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.292 17.350 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.607 18.900 -2.004 1.00 0.00 H new ATOM 246 N SER A 20 -3.099 13.101 -1.428 1.00 0.00 N ATOM 247 CA SER A 20 -2.655 12.110 -2.401 1.00 0.00 C ATOM 248 C SER A 20 -3.779 11.135 -2.734 1.00 0.00 C ATOM 249 O SER A 20 -4.481 10.654 -1.845 1.00 0.00 O ATOM 250 CB SER A 20 -1.443 11.346 -1.865 1.00 0.00 C ATOM 251 OG SER A 20 -0.326 12.205 -1.710 1.00 0.00 O ATOM 0 H SER A 20 -2.395 13.357 -0.736 1.00 0.00 H new ATOM 0 HA SER A 20 -2.370 12.634 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.691 10.891 -0.906 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.190 10.535 -2.547 1.00 0.00 H new ATOM 0 HG SER A 20 -0.501 12.842 -0.986 1.00 0.00 H new ATOM 257 N GLU A 21 -3.943 10.847 -4.022 1.00 0.00 N ATOM 258 CA GLU A 21 -4.982 9.930 -4.473 1.00 0.00 C ATOM 259 C GLU A 21 -4.387 8.575 -4.847 1.00 0.00 C ATOM 260 O GLU A 21 -3.414 8.499 -5.597 1.00 0.00 O ATOM 261 CB GLU A 21 -5.729 10.519 -5.671 1.00 0.00 C ATOM 262 CG GLU A 21 -5.805 12.037 -5.654 1.00 0.00 C ATOM 263 CD GLU A 21 -7.032 12.567 -6.372 1.00 0.00 C ATOM 264 OE1 GLU A 21 -8.156 12.178 -5.993 1.00 0.00 O ATOM 265 OE2 GLU A 21 -6.866 13.372 -7.313 1.00 0.00 O ATOM 0 H GLU A 21 -3.369 11.236 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.684 9.785 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.237 10.198 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.740 10.113 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.814 12.385 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.910 12.447 -6.121 1.00 0.00 H new ATOM 272 N ILE A 22 -4.979 7.509 -4.318 1.00 0.00 N ATOM 273 CA ILE A 22 -4.508 6.158 -4.596 1.00 0.00 C ATOM 274 C ILE A 22 -5.487 5.409 -5.494 1.00 0.00 C ATOM 275 O ILE A 22 -6.644 5.201 -5.130 1.00 0.00 O ATOM 276 CB ILE A 22 -4.303 5.355 -3.298 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.181 5.975 -2.461 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.990 3.901 -3.618 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.898 5.223 -1.180 1.00 0.00 C ATOM 0 H ILE A 22 -5.785 7.555 -3.695 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.551 6.257 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.225 5.389 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.271 6.013 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.446 7.004 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.848 3.347 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.818 3.465 -4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.080 3.848 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.092 5.718 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.795 5.207 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.602 4.201 -1.416 1.00 0.00 H new ATOM 291 N TRP A 23 -5.014 5.005 -6.667 1.00 0.00 N ATOM 292 CA TRP A 23 -5.847 4.277 -7.617 1.00 0.00 C ATOM 293 C TRP A 23 -5.072 3.129 -8.253 1.00 0.00 C ATOM 294 O TRP A 23 -3.844 3.084 -8.186 1.00 0.00 O ATOM 295 CB TRP A 23 -6.364 5.222 -8.703 1.00 0.00 C ATOM 296 CG TRP A 23 -5.437 5.344 -9.875 1.00 0.00 C ATOM 297 CD1 TRP A 23 -5.308 4.464 -10.912 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.511 6.405 -10.129 1.00 0.00 C ATOM 299 NE1 TRP A 23 -4.356 4.915 -11.795 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.853 6.104 -11.337 1.00 0.00 C ATOM 301 CE3 TRP A 23 -4.174 7.581 -9.454 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.879 6.936 -11.882 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -3.207 8.406 -9.995 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.569 8.081 -11.200 1.00 0.00 C ATOM 0 H TRP A 23 -4.058 5.169 -6.983 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.695 3.861 -7.073 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.334 4.867 -9.051 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.522 6.210 -8.270 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.871 3.549 -11.022 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.070 4.441 -12.652 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.661 7.840 -8.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.386 6.687 -12.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.938 9.317 -9.481 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.818 8.747 -11.598 1.00 0.00 H new ATOM 315 N GLY A 24 -5.796 2.200 -8.870 1.00 0.00 N ATOM 316 CA GLY A 24 -5.158 1.064 -9.509 1.00 0.00 C ATOM 317 C GLY A 24 -6.095 -0.118 -9.659 1.00 0.00 C ATOM 318 O GLY A 24 -7.173 -0.162 -9.067 1.00 0.00 O ATOM 0 H GLY A 24 -6.814 2.214 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.793 1.362 -10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.289 0.763 -8.924 1.00 0.00 H new ATOM 322 N PRO A 25 -5.684 -1.104 -10.470 1.00 0.00 N ATOM 323 CA PRO A 25 -6.480 -2.310 -10.716 1.00 0.00 C ATOM 324 C PRO A 25 -6.555 -3.216 -9.492 1.00 0.00 C ATOM 325 O PRO A 25 -7.336 -4.166 -9.457 1.00 0.00 O ATOM 326 CB PRO A 25 -5.726 -3.008 -11.851 1.00 0.00 C ATOM 327 CG PRO A 25 -4.321 -2.529 -11.723 1.00 0.00 C ATOM 328 CD PRO A 25 -4.410 -1.119 -11.208 1.00 0.00 C ATOM 0 HA PRO A 25 -7.516 -2.071 -10.957 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.785 -4.092 -11.757 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.146 -2.749 -12.823 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.754 -3.160 -11.038 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.808 -2.562 -12.684 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.568 -0.874 -10.561 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.408 -0.393 -12.021 1.00 0.00 H new ATOM 336 N GLY A 26 -5.738 -2.914 -8.487 1.00 0.00 N ATOM 337 CA GLY A 26 -5.728 -3.710 -7.274 1.00 0.00 C ATOM 338 C GLY A 26 -6.956 -3.476 -6.417 1.00 0.00 C ATOM 339 O GLY A 26 -7.259 -4.268 -5.524 1.00 0.00 O ATOM 0 H GLY A 26 -5.083 -2.132 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.668 -4.766 -7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.835 -3.474 -6.696 1.00 0.00 H new ATOM 343 N LEU A 27 -7.665 -2.385 -6.687 1.00 0.00 N ATOM 344 CA LEU A 27 -8.867 -2.048 -5.932 1.00 0.00 C ATOM 345 C LEU A 27 -10.059 -1.856 -6.864 1.00 0.00 C ATOM 346 O LEU A 27 -11.010 -1.146 -6.536 1.00 0.00 O ATOM 347 CB LEU A 27 -8.637 -0.777 -5.111 1.00 0.00 C ATOM 348 CG LEU A 27 -7.325 -0.711 -4.329 1.00 0.00 C ATOM 349 CD1 LEU A 27 -6.953 0.733 -4.031 1.00 0.00 C ATOM 350 CD2 LEU A 27 -7.431 -1.514 -3.040 1.00 0.00 C ATOM 0 H LEU A 27 -7.428 -1.719 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.087 -2.875 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.679 0.079 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.462 -0.669 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.537 -1.148 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.017 0.760 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.834 1.279 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.741 1.197 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.488 -1.456 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.232 -1.107 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.649 -2.555 -3.277 1.00 0.00 H new ATOM 362 N LYS A 28 -10.002 -2.495 -8.028 1.00 0.00 N ATOM 363 CA LYS A 28 -11.078 -2.399 -9.007 1.00 0.00 C ATOM 364 C LYS A 28 -12.236 -3.321 -8.636 1.00 0.00 C ATOM 365 O LYS A 28 -13.271 -2.867 -8.151 1.00 0.00 O ATOM 366 CB LYS A 28 -10.558 -2.753 -10.402 1.00 0.00 C ATOM 367 CG LYS A 28 -10.047 -1.554 -11.183 1.00 0.00 C ATOM 368 CD LYS A 28 -11.182 -0.809 -11.866 1.00 0.00 C ATOM 369 CE LYS A 28 -11.783 0.249 -10.953 1.00 0.00 C ATOM 370 NZ LYS A 28 -12.366 1.381 -11.725 1.00 0.00 N ATOM 0 H LYS A 28 -9.222 -3.085 -8.316 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.442 -1.371 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.754 -3.483 -10.307 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.357 -3.231 -10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.520 -0.878 -10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.326 -1.886 -11.931 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.813 -0.338 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.956 -1.516 -12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.556 -0.204 -10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.014 0.627 -10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.765 2.081 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.623 1.829 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.117 1.025 -12.349 1.00 0.00 H new ATOM 384 N ALA A 29 -12.052 -4.617 -8.866 1.00 0.00 N ATOM 385 CA ALA A 29 -13.079 -5.602 -8.553 1.00 0.00 C ATOM 386 C ALA A 29 -12.578 -7.019 -8.808 1.00 0.00 C ATOM 387 O ALA A 29 -11.881 -7.274 -9.790 1.00 0.00 O ATOM 388 CB ALA A 29 -14.336 -5.330 -9.366 1.00 0.00 C ATOM 0 H ALA A 29 -11.201 -5.009 -9.268 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.319 -5.516 -7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.095 -6.073 -9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.714 -4.335 -9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.101 -5.386 -10.429 1.00 0.00 H new ATOM 394 N ASP A 30 -12.935 -7.937 -7.916 1.00 0.00 N ATOM 395 CA ASP A 30 -12.521 -9.329 -8.045 1.00 0.00 C ATOM 396 C ASP A 30 -11.134 -9.428 -8.673 1.00 0.00 C ATOM 397 O ASP A 30 -10.906 -10.231 -9.578 1.00 0.00 O ATOM 398 CB ASP A 30 -13.532 -10.108 -8.888 1.00 0.00 C ATOM 399 CG ASP A 30 -13.599 -11.573 -8.504 1.00 0.00 C ATOM 400 OD1 ASP A 30 -13.913 -11.865 -7.330 1.00 0.00 O ATOM 401 OD2 ASP A 30 -13.339 -12.428 -9.376 1.00 0.00 O ATOM 0 H ASP A 30 -13.510 -7.742 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.480 -9.764 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.519 -9.660 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.264 -10.023 -9.941 1.00 0.00 H new ATOM 406 N VAL A 31 -10.210 -8.605 -8.187 1.00 0.00 N ATOM 407 CA VAL A 31 -8.845 -8.600 -8.699 1.00 0.00 C ATOM 408 C VAL A 31 -8.314 -10.019 -8.865 1.00 0.00 C ATOM 409 O VAL A 31 -8.940 -10.983 -8.424 1.00 0.00 O ATOM 410 CB VAL A 31 -7.900 -7.815 -7.770 1.00 0.00 C ATOM 411 CG1 VAL A 31 -8.306 -6.351 -7.707 1.00 0.00 C ATOM 412 CG2 VAL A 31 -7.885 -8.433 -6.381 1.00 0.00 C ATOM 0 H VAL A 31 -10.382 -7.933 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.875 -8.111 -9.673 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.891 -7.869 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.627 -5.813 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.260 -5.917 -8.706 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.323 -6.272 -7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.212 -7.866 -5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.891 -8.412 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.541 -9.465 -6.446 1.00 0.00 H new ATOM 422 N VAL A 32 -7.155 -10.141 -9.504 1.00 0.00 N ATOM 423 CA VAL A 32 -6.538 -11.443 -9.727 1.00 0.00 C ATOM 424 C VAL A 32 -6.550 -12.282 -8.454 1.00 0.00 C ATOM 425 O VAL A 32 -6.516 -11.748 -7.345 1.00 0.00 O ATOM 426 CB VAL A 32 -5.085 -11.299 -10.219 1.00 0.00 C ATOM 427 CG1 VAL A 32 -5.016 -10.350 -11.406 1.00 0.00 C ATOM 428 CG2 VAL A 32 -4.185 -10.821 -9.090 1.00 0.00 C ATOM 0 H VAL A 32 -6.624 -9.354 -9.876 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.126 -11.944 -10.495 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.731 -12.277 -10.545 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.982 -10.260 -11.740 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.628 -10.740 -12.219 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.388 -9.369 -11.110 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.163 -10.725 -9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.535 -9.853 -8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.212 -11.542 -8.273 1.00 0.00 H new ATOM 438 N LEU A 33 -6.599 -13.599 -8.621 1.00 0.00 N ATOM 439 CA LEU A 33 -6.616 -14.514 -7.486 1.00 0.00 C ATOM 440 C LEU A 33 -5.592 -14.097 -6.435 1.00 0.00 C ATOM 441 O LEU A 33 -5.926 -13.818 -5.283 1.00 0.00 O ATOM 442 CB LEU A 33 -6.331 -15.943 -7.953 1.00 0.00 C ATOM 443 CG LEU A 33 -7.556 -16.807 -8.254 1.00 0.00 C ATOM 444 CD1 LEU A 33 -8.117 -16.477 -9.629 1.00 0.00 C ATOM 445 CD2 LEU A 33 -7.202 -18.284 -8.161 1.00 0.00 C ATOM 0 H LEU A 33 -6.628 -14.057 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.608 -14.476 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.716 -15.894 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.738 -16.443 -7.187 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.322 -16.590 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.988 -17.102 -9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.408 -15.427 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.357 -16.665 -10.387 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.086 -18.884 -8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.419 -18.517 -8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.848 -18.511 -7.155 1.00 0.00 H new ATOM 457 N PRO A 34 -4.314 -14.050 -6.840 1.00 0.00 N ATOM 458 CA PRO A 34 -3.215 -13.665 -5.949 1.00 0.00 C ATOM 459 C PRO A 34 -3.256 -12.185 -5.585 1.00 0.00 C ATOM 460 O PRO A 34 -3.888 -11.795 -4.604 1.00 0.00 O ATOM 461 CB PRO A 34 -1.964 -13.978 -6.774 1.00 0.00 C ATOM 462 CG PRO A 34 -2.415 -13.900 -8.191 1.00 0.00 C ATOM 463 CD PRO A 34 -3.843 -14.370 -8.198 1.00 0.00 C ATOM 0 HA PRO A 34 -3.258 -14.193 -4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.167 -13.262 -6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.571 -14.967 -6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.338 -12.881 -8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.795 -14.526 -8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.431 -13.857 -8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.914 -15.437 -8.407 1.00 0.00 H new ATOM 471 N ALA A 35 -2.578 -11.365 -6.382 1.00 0.00 N ATOM 472 CA ALA A 35 -2.540 -9.928 -6.144 1.00 0.00 C ATOM 473 C ALA A 35 -2.033 -9.181 -7.373 1.00 0.00 C ATOM 474 O ALA A 35 -1.551 -9.793 -8.327 1.00 0.00 O ATOM 475 CB ALA A 35 -1.667 -9.615 -4.938 1.00 0.00 C ATOM 0 H ALA A 35 -2.048 -11.672 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.557 -9.592 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.648 -8.538 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.073 -10.111 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.653 -9.972 -5.120 1.00 0.00 H new ATOM 481 N ARG A 36 -2.145 -7.857 -7.344 1.00 0.00 N ATOM 482 CA ARG A 36 -1.700 -7.028 -8.457 1.00 0.00 C ATOM 483 C ARG A 36 -0.950 -5.799 -7.954 1.00 0.00 C ATOM 484 O ARG A 36 -0.861 -5.564 -6.748 1.00 0.00 O ATOM 485 CB ARG A 36 -2.895 -6.596 -9.309 1.00 0.00 C ATOM 486 CG ARG A 36 -3.217 -7.560 -10.439 1.00 0.00 C ATOM 487 CD ARG A 36 -2.458 -7.205 -11.708 1.00 0.00 C ATOM 488 NE ARG A 36 -2.276 -8.363 -12.579 1.00 0.00 N ATOM 489 CZ ARG A 36 -1.947 -8.273 -13.863 1.00 0.00 C ATOM 490 NH1 ARG A 36 -1.765 -7.085 -14.422 1.00 0.00 N ATOM 491 NH2 ARG A 36 -1.800 -9.373 -14.590 1.00 0.00 N ATOM 0 H ARG A 36 -2.540 -7.336 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.021 -7.621 -9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.771 -6.496 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.694 -5.611 -9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.965 -8.576 -10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.289 -7.544 -10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.998 -6.427 -12.248 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.484 -6.793 -11.444 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.409 -9.292 -12.180 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.877 -6.237 -13.866 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.512 -7.019 -15.408 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.940 -10.289 -14.163 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.547 -9.303 -15.576 1.00 0.00 H new ATOM 505 N TYR A 37 -0.411 -5.018 -8.884 1.00 0.00 N ATOM 506 CA TYR A 37 0.334 -3.814 -8.534 1.00 0.00 C ATOM 507 C TYR A 37 -0.435 -2.561 -8.941 1.00 0.00 C ATOM 508 O TYR A 37 -1.100 -2.535 -9.976 1.00 0.00 O ATOM 509 CB TYR A 37 1.707 -3.825 -9.209 1.00 0.00 C ATOM 510 CG TYR A 37 1.658 -3.506 -10.686 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.580 -2.192 -11.130 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.691 -4.519 -11.637 1.00 0.00 C ATOM 513 CE1 TYR A 37 1.535 -1.896 -12.479 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.648 -4.231 -12.987 1.00 0.00 C ATOM 515 CZ TYR A 37 1.569 -2.919 -13.403 1.00 0.00 C ATOM 516 OH TYR A 37 1.525 -2.628 -14.748 1.00 0.00 O ATOM 0 H TYR A 37 -0.476 -5.197 -9.886 1.00 0.00 H new ATOM 0 HA TYR A 37 0.468 -3.801 -7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.353 -3.102 -8.711 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.162 -4.806 -9.073 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.554 -1.388 -10.409 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.751 -5.548 -11.315 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.474 -0.869 -12.808 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.676 -5.030 -13.713 1.00 0.00 H new ATOM 0 HH TYR A 37 1.293 -1.684 -14.871 1.00 0.00 H new ATOM 526 N PHE A 38 -0.337 -1.522 -8.117 1.00 0.00 N ATOM 527 CA PHE A 38 -1.023 -0.264 -8.389 1.00 0.00 C ATOM 528 C PHE A 38 -0.042 0.904 -8.373 1.00 0.00 C ATOM 529 O PHE A 38 1.156 0.721 -8.156 1.00 0.00 O ATOM 530 CB PHE A 38 -2.131 -0.030 -7.360 1.00 0.00 C ATOM 531 CG PHE A 38 -1.633 0.016 -5.944 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.469 -1.151 -5.215 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.329 1.226 -5.341 1.00 0.00 C ATOM 534 CE1 PHE A 38 -1.011 -1.112 -3.911 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.870 1.271 -4.038 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.712 0.101 -3.322 1.00 0.00 C ATOM 0 H PHE A 38 0.210 -1.527 -7.256 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.468 -0.328 -9.382 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.637 0.908 -7.590 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.873 -0.823 -7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.702 -2.102 -5.671 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.452 2.145 -5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.887 -2.029 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.635 2.221 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.355 0.134 -2.303 1.00 0.00 H new ATOM 546 N TYR A 39 -0.559 2.106 -8.604 1.00 0.00 N ATOM 547 CA TYR A 39 0.270 3.305 -8.619 1.00 0.00 C ATOM 548 C TYR A 39 -0.119 4.251 -7.488 1.00 0.00 C ATOM 549 O TYR A 39 -1.219 4.163 -6.941 1.00 0.00 O ATOM 550 CB TYR A 39 0.144 4.021 -9.965 1.00 0.00 C ATOM 551 CG TYR A 39 0.299 3.103 -11.156 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.477 2.396 -11.365 1.00 0.00 C ATOM 553 CD2 TYR A 39 -0.733 2.942 -12.072 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.623 1.557 -12.453 1.00 0.00 C ATOM 555 CE2 TYR A 39 -0.596 2.104 -13.162 1.00 0.00 C ATOM 556 CZ TYR A 39 0.583 1.414 -13.348 1.00 0.00 C ATOM 557 OH TYR A 39 0.724 0.578 -14.432 1.00 0.00 O ATOM 0 H TYR A 39 -1.549 2.276 -8.783 1.00 0.00 H new ATOM 0 HA TYR A 39 1.306 3.001 -8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.829 4.509 -10.018 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.898 4.806 -10.021 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.292 2.504 -10.665 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.658 3.481 -11.930 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.546 1.016 -12.602 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.408 1.990 -13.865 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.100 0.589 -14.963 1.00 0.00 H new ATOM 567 N ILE A 40 0.790 5.157 -7.143 1.00 0.00 N ATOM 568 CA ILE A 40 0.542 6.121 -6.079 1.00 0.00 C ATOM 569 C ILE A 40 0.990 7.520 -6.488 1.00 0.00 C ATOM 570 O ILE A 40 2.186 7.794 -6.588 1.00 0.00 O ATOM 571 CB ILE A 40 1.264 5.723 -4.778 1.00 0.00 C ATOM 572 CG1 ILE A 40 0.646 4.450 -4.195 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.202 6.859 -3.768 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.566 3.711 -3.248 1.00 0.00 C ATOM 0 H ILE A 40 1.705 5.243 -7.585 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.533 6.124 -5.902 1.00 0.00 H new ATOM 0 HB ILE A 40 2.311 5.524 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.272 4.710 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.367 3.784 -5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.717 6.562 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.684 7.743 -4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.161 7.087 -3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.063 2.820 -2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.474 3.420 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.825 4.360 -2.412 1.00 0.00 H new ATOM 586 N GLN A 41 0.023 8.400 -6.723 1.00 0.00 N ATOM 587 CA GLN A 41 0.319 9.772 -7.121 1.00 0.00 C ATOM 588 C GLN A 41 0.363 10.693 -5.907 1.00 0.00 C ATOM 589 O GLN A 41 -0.508 10.636 -5.040 1.00 0.00 O ATOM 590 CB GLN A 41 -0.727 10.273 -8.118 1.00 0.00 C ATOM 591 CG GLN A 41 -0.654 11.769 -8.376 1.00 0.00 C ATOM 592 CD GLN A 41 0.439 12.139 -9.360 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.426 11.705 -10.512 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.392 12.947 -8.909 1.00 0.00 N ATOM 0 H GLN A 41 -0.972 8.188 -6.645 1.00 0.00 H new ATOM 0 HA GLN A 41 1.299 9.782 -7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.600 9.743 -9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.721 10.025 -7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.614 12.115 -8.758 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.480 12.288 -7.434 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.363 13.283 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.153 13.232 -9.525 1.00 0.00 H new ATOM 603 N ALA A 42 1.384 11.542 -5.851 1.00 0.00 N ATOM 604 CA ALA A 42 1.541 12.477 -4.744 1.00 0.00 C ATOM 605 C ALA A 42 0.737 13.751 -4.983 1.00 0.00 C ATOM 606 O ALA A 42 0.494 14.138 -6.126 1.00 0.00 O ATOM 607 CB ALA A 42 3.012 12.810 -4.538 1.00 0.00 C ATOM 0 H ALA A 42 2.115 11.601 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 42 1.158 12.000 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.114 13.509 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.564 11.897 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.413 13.262 -5.445 1.00 0.00 H new ATOM 613 N VAL A 43 0.326 14.398 -3.897 1.00 0.00 N ATOM 614 CA VAL A 43 -0.451 15.628 -3.989 1.00 0.00 C ATOM 615 C VAL A 43 -0.077 16.598 -2.873 1.00 0.00 C ATOM 616 O VAL A 43 0.362 16.186 -1.799 1.00 0.00 O ATOM 617 CB VAL A 43 -1.963 15.344 -3.922 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.752 16.644 -3.939 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.386 14.438 -5.069 1.00 0.00 C ATOM 0 H VAL A 43 0.518 14.091 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.217 16.079 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.177 14.830 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.818 16.423 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.469 17.253 -3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.535 17.189 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.457 14.248 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.159 14.923 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.845 13.494 -5.005 1.00 0.00 H new ATOM 629 N ASP A 44 -0.256 17.888 -3.134 1.00 0.00 N ATOM 630 CA ASP A 44 0.061 18.918 -2.152 1.00 0.00 C ATOM 631 C ASP A 44 -1.087 19.096 -1.162 1.00 0.00 C ATOM 632 O ASP A 44 -2.104 18.407 -1.243 1.00 0.00 O ATOM 633 CB ASP A 44 0.359 20.246 -2.850 1.00 0.00 C ATOM 634 CG ASP A 44 1.757 20.291 -3.434 1.00 0.00 C ATOM 635 OD1 ASP A 44 2.718 20.488 -2.659 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.892 20.130 -4.664 1.00 0.00 O ATOM 0 H ASP A 44 -0.619 18.245 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 44 0.947 18.600 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.369 20.407 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.239 21.063 -2.138 1.00 0.00 H new ATOM 641 N THR A 45 -0.916 20.026 -0.227 1.00 0.00 N ATOM 642 CA THR A 45 -1.936 20.293 0.780 1.00 0.00 C ATOM 643 C THR A 45 -3.126 21.028 0.175 1.00 0.00 C ATOM 644 O THR A 45 -4.194 21.105 0.782 1.00 0.00 O ATOM 645 CB THR A 45 -1.370 21.127 1.945 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.495 22.524 1.653 1.00 0.00 O ATOM 647 CG2 THR A 45 0.091 20.785 2.195 1.00 0.00 C ATOM 0 H THR A 45 -0.081 20.607 -0.146 1.00 0.00 H new ATOM 0 HA THR A 45 -2.265 19.326 1.161 1.00 0.00 H new ATOM 0 HB THR A 45 -1.941 20.891 2.843 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.135 23.048 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.469 21.386 3.022 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.180 19.728 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.673 20.996 1.298 1.00 0.00 H new ATOM 655 N SER A 46 -2.936 21.566 -1.026 1.00 0.00 N ATOM 656 CA SER A 46 -3.994 22.298 -1.712 1.00 0.00 C ATOM 657 C SER A 46 -4.642 21.434 -2.789 1.00 0.00 C ATOM 658 O SER A 46 -5.815 21.606 -3.117 1.00 0.00 O ATOM 659 CB SER A 46 -3.435 23.578 -2.337 1.00 0.00 C ATOM 660 OG SER A 46 -4.477 24.397 -2.839 1.00 0.00 O ATOM 0 H SER A 46 -2.059 21.508 -1.544 1.00 0.00 H new ATOM 0 HA SER A 46 -4.754 22.563 -0.977 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.861 24.130 -1.592 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.748 23.323 -3.144 1.00 0.00 H new ATOM 0 HG SER A 46 -4.094 25.209 -3.232 1.00 0.00 H new ATOM 666 N GLY A 47 -3.867 20.501 -3.337 1.00 0.00 N ATOM 667 CA GLY A 47 -4.381 19.623 -4.371 1.00 0.00 C ATOM 668 C GLY A 47 -3.688 19.828 -5.703 1.00 0.00 C ATOM 669 O GLY A 47 -4.318 19.750 -6.757 1.00 0.00 O ATOM 0 H GLY A 47 -2.893 20.339 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.259 18.586 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.451 19.795 -4.491 1.00 0.00 H new ATOM 673 N ASN A 48 -2.386 20.093 -5.656 1.00 0.00 N ATOM 674 CA ASN A 48 -1.607 20.313 -6.869 1.00 0.00 C ATOM 675 C ASN A 48 -0.744 19.096 -7.189 1.00 0.00 C ATOM 676 O ASN A 48 0.104 18.695 -6.393 1.00 0.00 O ATOM 677 CB ASN A 48 -0.723 21.552 -6.715 1.00 0.00 C ATOM 678 CG ASN A 48 -1.465 22.718 -6.092 1.00 0.00 C ATOM 679 OD1 ASN A 48 -1.049 23.113 -4.894 1.00 0.00 O flip ATOM 680 ND2 ASN A 48 -2.402 23.258 -6.681 1.00 0.00 N flip ATOM 0 H ASN A 48 -1.849 20.160 -4.792 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.302 20.471 -7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.141 21.304 -6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.343 21.848 -7.693 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.688 22.922 -7.600 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.892 24.042 -6.249 1.00 0.00 H new ATOM 687 N LYS A 49 -0.968 18.511 -8.362 1.00 0.00 N ATOM 688 CA LYS A 49 -0.211 17.341 -8.790 1.00 0.00 C ATOM 689 C LYS A 49 1.288 17.625 -8.771 1.00 0.00 C ATOM 690 O LYS A 49 1.784 18.444 -9.545 1.00 0.00 O ATOM 691 CB LYS A 49 -0.642 16.916 -10.195 1.00 0.00 C ATOM 692 CG LYS A 49 -1.967 16.173 -10.227 1.00 0.00 C ATOM 693 CD LYS A 49 -2.644 16.297 -11.581 1.00 0.00 C ATOM 694 CE LYS A 49 -1.930 15.470 -12.639 1.00 0.00 C ATOM 695 NZ LYS A 49 -0.812 16.224 -13.271 1.00 0.00 N ATOM 0 H LYS A 49 -1.668 18.829 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.418 16.530 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.716 17.801 -10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.132 16.281 -10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.800 15.120 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.625 16.568 -9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.681 15.971 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.661 17.343 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.542 14.557 -12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.643 15.167 -13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.009 16.353 -14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.719 17.154 -12.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.074 15.692 -13.156 1.00 0.00 H new ATOM 709 N PHE A 50 2.003 16.943 -7.883 1.00 0.00 N ATOM 710 CA PHE A 50 3.446 17.122 -7.764 1.00 0.00 C ATOM 711 C PHE A 50 4.141 16.834 -9.091 1.00 0.00 C ATOM 712 O PHE A 50 5.035 17.570 -9.510 1.00 0.00 O ATOM 713 CB PHE A 50 4.006 16.207 -6.672 1.00 0.00 C ATOM 714 CG PHE A 50 4.050 16.850 -5.316 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.965 16.763 -4.458 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.176 17.542 -4.898 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.003 17.354 -3.208 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.219 18.133 -3.650 1.00 0.00 C ATOM 719 CZ PHE A 50 4.131 18.040 -2.805 1.00 0.00 C ATOM 0 H PHE A 50 1.608 16.261 -7.235 1.00 0.00 H new ATOM 0 HA PHE A 50 3.637 18.160 -7.492 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.397 15.305 -6.618 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.013 15.896 -6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.080 16.228 -4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.029 17.620 -5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.151 17.279 -2.548 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.103 18.667 -3.335 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.162 18.503 -1.830 1.00 0.00 H new ATOM 729 N THR A 51 3.724 15.756 -9.749 1.00 0.00 N ATOM 730 CA THR A 51 4.307 15.368 -11.027 1.00 0.00 C ATOM 731 C THR A 51 5.829 15.338 -10.951 1.00 0.00 C ATOM 732 O THR A 51 6.514 15.488 -11.963 1.00 0.00 O ATOM 733 CB THR A 51 3.880 16.328 -12.153 1.00 0.00 C ATOM 734 OG1 THR A 51 3.828 17.671 -11.659 1.00 0.00 O ATOM 735 CG2 THR A 51 2.521 15.935 -12.713 1.00 0.00 C ATOM 0 H THR A 51 2.985 15.137 -9.417 1.00 0.00 H new ATOM 0 HA THR A 51 3.938 14.368 -11.252 1.00 0.00 H new ATOM 0 HB THR A 51 4.617 16.264 -12.953 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.683 17.898 -11.237 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.241 16.627 -13.507 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.572 14.923 -13.115 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.776 15.972 -11.919 1.00 0.00 H new ATOM 743 N SER A 52 6.353 15.142 -9.745 1.00 0.00 N ATOM 744 CA SER A 52 7.795 15.095 -9.537 1.00 0.00 C ATOM 745 C SER A 52 8.186 13.871 -8.714 1.00 0.00 C ATOM 746 O SER A 52 7.327 13.118 -8.256 1.00 0.00 O ATOM 747 CB SER A 52 8.272 16.368 -8.836 1.00 0.00 C ATOM 748 OG SER A 52 8.326 17.459 -9.739 1.00 0.00 O ATOM 0 H SER A 52 5.800 15.013 -8.898 1.00 0.00 H new ATOM 0 HA SER A 52 8.276 15.024 -10.513 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.599 16.607 -8.012 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.259 16.201 -8.404 1.00 0.00 H new ATOM 0 HG SER A 52 8.632 18.261 -9.266 1.00 0.00 H new ATOM 754 N SER A 53 9.488 13.680 -8.531 1.00 0.00 N ATOM 755 CA SER A 53 9.995 12.546 -7.767 1.00 0.00 C ATOM 756 C SER A 53 10.492 12.993 -6.396 1.00 0.00 C ATOM 757 O SER A 53 11.413 13.801 -6.274 1.00 0.00 O ATOM 758 CB SER A 53 11.124 11.852 -8.531 1.00 0.00 C ATOM 759 OG SER A 53 11.885 11.021 -7.672 1.00 0.00 O ATOM 0 H SER A 53 10.212 14.296 -8.901 1.00 0.00 H new ATOM 0 HA SER A 53 9.176 11.841 -7.625 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.706 11.256 -9.342 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.772 12.600 -8.987 1.00 0.00 H new ATOM 0 HG SER A 53 12.599 10.588 -8.184 1.00 0.00 H new ATOM 765 N PRO A 54 9.869 12.455 -5.337 1.00 0.00 N ATOM 766 CA PRO A 54 10.231 12.783 -3.955 1.00 0.00 C ATOM 767 C PRO A 54 11.593 12.220 -3.563 1.00 0.00 C ATOM 768 O PRO A 54 12.408 12.910 -2.952 1.00 0.00 O ATOM 769 CB PRO A 54 9.122 12.123 -3.131 1.00 0.00 C ATOM 770 CG PRO A 54 8.627 11.009 -3.987 1.00 0.00 C ATOM 771 CD PRO A 54 8.763 11.485 -5.407 1.00 0.00 C ATOM 0 HA PRO A 54 10.313 13.859 -3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.503 11.752 -2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.325 12.830 -2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.209 10.102 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.590 10.769 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.991 10.664 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.844 11.949 -5.765 1.00 0.00 H new ATOM 779 N GLY A 55 11.833 10.962 -3.919 1.00 0.00 N ATOM 780 CA GLY A 55 13.097 10.327 -3.596 1.00 0.00 C ATOM 781 C GLY A 55 13.084 8.836 -3.868 1.00 0.00 C ATOM 782 O GLY A 55 12.395 8.371 -4.775 1.00 0.00 O ATOM 0 H GLY A 55 11.174 10.371 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.893 10.792 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.328 10.499 -2.545 1.00 0.00 H new ATOM 786 N GLU A 56 13.849 8.086 -3.080 1.00 0.00 N ATOM 787 CA GLU A 56 13.923 6.639 -3.243 1.00 0.00 C ATOM 788 C GLU A 56 12.750 5.952 -2.549 1.00 0.00 C ATOM 789 O GLU A 56 11.916 5.319 -3.195 1.00 0.00 O ATOM 790 CB GLU A 56 15.244 6.108 -2.681 1.00 0.00 C ATOM 791 CG GLU A 56 15.504 4.648 -3.014 1.00 0.00 C ATOM 792 CD GLU A 56 15.749 4.422 -4.493 1.00 0.00 C ATOM 793 OE1 GLU A 56 16.810 4.852 -4.991 1.00 0.00 O ATOM 794 OE2 GLU A 56 14.880 3.814 -5.152 1.00 0.00 O ATOM 0 H GLU A 56 14.425 8.456 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 56 13.873 6.416 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.064 6.712 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.244 6.230 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.368 4.299 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.651 4.049 -2.695 1.00 0.00 H new ATOM 801 N LYS A 57 12.694 6.082 -1.228 1.00 0.00 N ATOM 802 CA LYS A 57 11.624 5.476 -0.444 1.00 0.00 C ATOM 803 C LYS A 57 10.996 6.496 0.500 1.00 0.00 C ATOM 804 O LYS A 57 11.564 6.825 1.542 1.00 0.00 O ATOM 805 CB LYS A 57 12.161 4.288 0.357 1.00 0.00 C ATOM 806 CG LYS A 57 12.585 3.113 -0.508 1.00 0.00 C ATOM 807 CD LYS A 57 11.393 2.267 -0.923 1.00 0.00 C ATOM 808 CE LYS A 57 10.889 1.410 0.228 1.00 0.00 C ATOM 809 NZ LYS A 57 11.693 0.167 0.387 1.00 0.00 N ATOM 0 H LYS A 57 13.377 6.602 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 57 10.857 5.125 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.013 4.617 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.394 3.955 1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.098 3.481 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.298 2.496 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.590 2.915 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.674 1.626 -1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.924 1.986 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.845 1.148 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.318 -0.390 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.639 -0.396 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.685 0.417 0.577 1.00 0.00 H new ATOM 823 N VAL A 58 9.820 6.993 0.130 1.00 0.00 N ATOM 824 CA VAL A 58 9.113 7.974 0.945 1.00 0.00 C ATOM 825 C VAL A 58 7.723 7.475 1.322 1.00 0.00 C ATOM 826 O VAL A 58 7.172 7.862 2.353 1.00 0.00 O ATOM 827 CB VAL A 58 8.982 9.322 0.212 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.354 9.925 -0.048 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.211 9.149 -1.088 1.00 0.00 C ATOM 0 H VAL A 58 9.337 6.732 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 58 9.702 8.118 1.851 1.00 0.00 H new ATOM 0 HB VAL A 58 8.425 10.009 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.241 10.877 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.866 10.087 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.940 9.243 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.128 10.112 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.738 8.446 -1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.214 8.766 -0.871 1.00 0.00 H new ATOM 839 N PHE A 59 7.160 6.615 0.480 1.00 0.00 N ATOM 840 CA PHE A 59 5.832 6.063 0.725 1.00 0.00 C ATOM 841 C PHE A 59 5.926 4.633 1.250 1.00 0.00 C ATOM 842 O PHE A 59 6.575 3.781 0.645 1.00 0.00 O ATOM 843 CB PHE A 59 5.000 6.093 -0.558 1.00 0.00 C ATOM 844 CG PHE A 59 4.460 7.455 -0.890 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.685 8.150 0.025 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.726 8.040 -2.118 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.187 9.403 -0.277 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.231 9.293 -2.425 1.00 0.00 C ATOM 849 CZ PHE A 59 3.459 9.975 -1.504 1.00 0.00 C ATOM 0 H PHE A 59 7.602 6.285 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 59 5.344 6.678 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.613 5.742 -1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.168 5.395 -0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.468 7.707 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.327 7.511 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.586 9.934 0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.447 9.739 -3.384 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.069 10.953 -1.743 1.00 0.00 H new ATOM 859 N GLN A 60 5.274 4.380 2.380 1.00 0.00 N ATOM 860 CA GLN A 60 5.284 3.055 2.987 1.00 0.00 C ATOM 861 C GLN A 60 3.951 2.346 2.772 1.00 0.00 C ATOM 862 O GLN A 60 2.894 2.977 2.772 1.00 0.00 O ATOM 863 CB GLN A 60 5.584 3.158 4.484 1.00 0.00 C ATOM 864 CG GLN A 60 5.552 1.820 5.205 1.00 0.00 C ATOM 865 CD GLN A 60 6.872 1.079 5.117 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.935 1.691 5.014 1.00 0.00 O ATOM 867 NE2 GLN A 60 6.810 -0.247 5.157 1.00 0.00 N ATOM 0 H GLN A 60 4.732 5.075 2.893 1.00 0.00 H new ATOM 0 HA GLN A 60 6.068 2.470 2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.566 3.610 4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.859 3.828 4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.300 1.982 6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.763 1.201 4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.907 -0.713 5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.666 -0.799 5.102 1.00 0.00 H new ATOM 876 N VAL A 61 4.008 1.031 2.587 1.00 0.00 N ATOM 877 CA VAL A 61 2.805 0.236 2.371 1.00 0.00 C ATOM 878 C VAL A 61 2.807 -1.013 3.245 1.00 0.00 C ATOM 879 O VAL A 61 3.676 -1.875 3.114 1.00 0.00 O ATOM 880 CB VAL A 61 2.667 -0.183 0.895 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.481 -1.118 0.714 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.532 1.042 0.004 1.00 0.00 C ATOM 0 H VAL A 61 4.875 0.494 2.582 1.00 0.00 H new ATOM 0 HA VAL A 61 1.957 0.864 2.643 1.00 0.00 H new ATOM 0 HB VAL A 61 3.569 -0.719 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.399 -1.403 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.625 -2.011 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.567 -0.611 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.436 0.727 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.647 1.608 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.416 1.670 0.112 1.00 0.00 H new ATOM 892 N LYS A 62 1.827 -1.105 4.138 1.00 0.00 N ATOM 893 CA LYS A 62 1.713 -2.249 5.034 1.00 0.00 C ATOM 894 C LYS A 62 0.553 -3.149 4.623 1.00 0.00 C ATOM 895 O LYS A 62 -0.510 -2.667 4.228 1.00 0.00 O ATOM 896 CB LYS A 62 1.519 -1.776 6.477 1.00 0.00 C ATOM 897 CG LYS A 62 1.381 -2.912 7.476 1.00 0.00 C ATOM 898 CD LYS A 62 2.737 -3.457 7.891 1.00 0.00 C ATOM 899 CE LYS A 62 2.684 -4.090 9.273 1.00 0.00 C ATOM 900 NZ LYS A 62 2.177 -5.489 9.223 1.00 0.00 N ATOM 0 H LYS A 62 1.100 -0.400 4.260 1.00 0.00 H new ATOM 0 HA LYS A 62 2.637 -2.824 4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.366 -1.153 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.629 -1.148 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.844 -2.560 8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.785 -3.712 7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.071 -4.197 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.471 -2.651 7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.680 -4.080 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.042 -3.494 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.156 -5.885 10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.216 -5.496 8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.804 -6.064 8.625 1.00 0.00 H new ATOM 914 N VAL A 63 0.762 -4.458 4.719 1.00 0.00 N ATOM 915 CA VAL A 63 -0.268 -5.425 4.359 1.00 0.00 C ATOM 916 C VAL A 63 -0.608 -6.331 5.537 1.00 0.00 C ATOM 917 O VAL A 63 0.278 -6.773 6.269 1.00 0.00 O ATOM 918 CB VAL A 63 0.171 -6.296 3.167 1.00 0.00 C ATOM 919 CG1 VAL A 63 -0.927 -7.278 2.789 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.549 -5.422 1.980 1.00 0.00 C ATOM 0 H VAL A 63 1.635 -4.873 5.043 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.152 -4.854 4.076 1.00 0.00 H new ATOM 0 HB VAL A 63 1.050 -6.869 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.598 -7.884 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.144 -7.926 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.827 -6.729 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.857 -6.053 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.310 -4.821 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.372 -4.764 2.260 1.00 0.00 H new ATOM 930 N SER A 64 -1.897 -6.603 5.715 1.00 0.00 N ATOM 931 CA SER A 64 -2.355 -7.454 6.807 1.00 0.00 C ATOM 932 C SER A 64 -3.588 -8.251 6.394 1.00 0.00 C ATOM 933 O SER A 64 -4.309 -7.867 5.474 1.00 0.00 O ATOM 934 CB SER A 64 -2.670 -6.608 8.042 1.00 0.00 C ATOM 935 OG SER A 64 -1.502 -5.981 8.543 1.00 0.00 O ATOM 0 H SER A 64 -2.642 -6.246 5.117 1.00 0.00 H new ATOM 0 HA SER A 64 -1.556 -8.155 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.412 -5.851 7.788 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.109 -7.238 8.816 1.00 0.00 H new ATOM 0 HG SER A 64 -1.731 -5.445 9.331 1.00 0.00 H new ATOM 941 N ALA A 65 -3.823 -9.364 7.082 1.00 0.00 N ATOM 942 CA ALA A 65 -4.970 -10.215 6.789 1.00 0.00 C ATOM 943 C ALA A 65 -5.933 -10.263 7.970 1.00 0.00 C ATOM 944 O ALA A 65 -5.529 -10.360 9.129 1.00 0.00 O ATOM 945 CB ALA A 65 -4.506 -11.618 6.427 1.00 0.00 C ATOM 0 H ALA A 65 -3.235 -9.697 7.846 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.501 -9.788 5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.372 -12.243 6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.862 -11.573 5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.950 -12.044 7.262 1.00 0.00 H new ATOM 951 N PRO A 66 -7.239 -10.193 7.672 1.00 0.00 N ATOM 952 CA PRO A 66 -8.288 -10.227 8.696 1.00 0.00 C ATOM 953 C PRO A 66 -8.411 -11.596 9.355 1.00 0.00 C ATOM 954 O PRO A 66 -8.423 -11.706 10.580 1.00 0.00 O ATOM 955 CB PRO A 66 -9.560 -9.894 7.912 1.00 0.00 C ATOM 956 CG PRO A 66 -9.264 -10.314 6.514 1.00 0.00 C ATOM 957 CD PRO A 66 -7.793 -10.077 6.312 1.00 0.00 C ATOM 0 HA PRO A 66 -8.082 -9.536 9.514 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.422 -10.428 8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.791 -8.830 7.965 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.515 -11.364 6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.853 -9.738 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.357 -10.812 5.636 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.600 -9.094 5.882 1.00 0.00 H new ATOM 965 N GLU A 67 -8.502 -12.637 8.533 1.00 0.00 N ATOM 966 CA GLU A 67 -8.625 -14.000 9.038 1.00 0.00 C ATOM 967 C GLU A 67 -7.266 -14.546 9.465 1.00 0.00 C ATOM 968 O GLU A 67 -7.056 -14.873 10.633 1.00 0.00 O ATOM 969 CB GLU A 67 -9.240 -14.909 7.971 1.00 0.00 C ATOM 970 CG GLU A 67 -9.743 -16.234 8.518 1.00 0.00 C ATOM 971 CD GLU A 67 -10.863 -16.822 7.682 1.00 0.00 C ATOM 972 OE1 GLU A 67 -10.571 -17.370 6.599 1.00 0.00 O ATOM 973 OE2 GLU A 67 -12.032 -16.736 8.113 1.00 0.00 O ATOM 0 H GLU A 67 -8.493 -12.563 7.516 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.280 -13.980 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.068 -14.385 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.496 -15.103 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.916 -16.943 8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.094 -16.091 9.540 1.00 0.00 H new ATOM 980 N GLU A 68 -6.346 -14.643 8.510 1.00 0.00 N ATOM 981 CA GLU A 68 -5.008 -15.151 8.788 1.00 0.00 C ATOM 982 C GLU A 68 -4.248 -14.205 9.714 1.00 0.00 C ATOM 983 O GLU A 68 -3.963 -13.063 9.353 1.00 0.00 O ATOM 984 CB GLU A 68 -4.229 -15.340 7.484 1.00 0.00 C ATOM 985 CG GLU A 68 -2.972 -16.179 7.642 1.00 0.00 C ATOM 986 CD GLU A 68 -3.208 -17.436 8.456 1.00 0.00 C ATOM 987 OE1 GLU A 68 -4.068 -18.249 8.058 1.00 0.00 O ATOM 988 OE2 GLU A 68 -2.532 -17.607 9.492 1.00 0.00 O ATOM 0 H GLU A 68 -6.503 -14.377 7.538 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.110 -16.115 9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.880 -15.811 6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.955 -14.362 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.597 -16.454 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.198 -15.580 8.122 1.00 0.00 H new ATOM 995 N GLN A 69 -3.924 -14.689 10.908 1.00 0.00 N ATOM 996 CA GLN A 69 -3.199 -13.887 11.886 1.00 0.00 C ATOM 997 C GLN A 69 -1.752 -13.678 11.453 1.00 0.00 C ATOM 998 O GLN A 69 -1.297 -12.544 11.297 1.00 0.00 O ATOM 999 CB GLN A 69 -3.240 -14.559 13.260 1.00 0.00 C ATOM 1000 CG GLN A 69 -2.414 -13.840 14.314 1.00 0.00 C ATOM 1001 CD GLN A 69 -2.499 -14.503 15.675 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -3.037 -15.603 15.809 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -1.968 -13.836 16.693 1.00 0.00 N ATOM 0 H GLN A 69 -4.152 -15.632 11.222 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.684 -12.913 11.951 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.275 -14.615 13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.880 -15.584 13.165 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.372 -13.808 13.994 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.755 -12.808 14.395 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.532 -12.927 16.536 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.996 -14.232 17.632 1.00 0.00 H new ATOM 1012 N PHE A 70 -1.032 -14.778 11.260 1.00 0.00 N ATOM 1013 CA PHE A 70 0.365 -14.715 10.846 1.00 0.00 C ATOM 1014 C PHE A 70 0.477 -14.575 9.330 1.00 0.00 C ATOM 1015 O PHE A 70 0.325 -15.549 8.592 1.00 0.00 O ATOM 1016 CB PHE A 70 1.114 -15.966 11.311 1.00 0.00 C ATOM 1017 CG PHE A 70 1.648 -15.859 12.710 1.00 0.00 C ATOM 1018 CD1 PHE A 70 2.846 -15.209 12.961 1.00 0.00 C ATOM 1019 CD2 PHE A 70 0.953 -16.409 13.775 1.00 0.00 C ATOM 1020 CE1 PHE A 70 3.340 -15.108 14.248 1.00 0.00 C ATOM 1021 CE2 PHE A 70 1.442 -16.311 15.064 1.00 0.00 C ATOM 1022 CZ PHE A 70 2.638 -15.661 15.301 1.00 0.00 C ATOM 0 H PHE A 70 -1.393 -15.724 11.384 1.00 0.00 H new ATOM 0 HA PHE A 70 0.816 -13.837 11.309 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.444 -16.824 11.251 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.942 -16.159 10.628 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.400 -14.776 12.141 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.019 -16.920 13.596 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.274 -14.597 14.430 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.889 -16.742 15.886 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.023 -15.586 16.307 1.00 0.00 H new ATOM 1032 N THR A 71 0.744 -13.356 8.873 1.00 0.00 N ATOM 1033 CA THR A 71 0.875 -13.086 7.446 1.00 0.00 C ATOM 1034 C THR A 71 2.255 -12.529 7.117 1.00 0.00 C ATOM 1035 O THR A 71 2.540 -11.360 7.376 1.00 0.00 O ATOM 1036 CB THR A 71 -0.197 -12.092 6.962 1.00 0.00 C ATOM 1037 OG1 THR A 71 -1.504 -12.597 7.260 1.00 0.00 O ATOM 1038 CG2 THR A 71 -0.072 -11.848 5.465 1.00 0.00 C ATOM 0 H THR A 71 0.874 -12.539 9.470 1.00 0.00 H new ATOM 0 HA THR A 71 0.737 -14.036 6.930 1.00 0.00 H new ATOM 0 HB THR A 71 -0.046 -11.146 7.483 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.724 -12.404 8.195 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.839 -11.143 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.913 -11.437 5.244 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.200 -12.790 4.931 1.00 0.00 H new ATOM 1046 N ARG A 72 3.107 -13.372 6.543 1.00 0.00 N ATOM 1047 CA ARG A 72 4.458 -12.963 6.178 1.00 0.00 C ATOM 1048 C ARG A 72 4.511 -12.495 4.727 1.00 0.00 C ATOM 1049 O ARG A 72 4.464 -13.304 3.800 1.00 0.00 O ATOM 1050 CB ARG A 72 5.438 -14.119 6.388 1.00 0.00 C ATOM 1051 CG ARG A 72 6.845 -13.667 6.744 1.00 0.00 C ATOM 1052 CD ARG A 72 7.684 -13.427 5.499 1.00 0.00 C ATOM 1053 NE ARG A 72 8.952 -12.771 5.812 1.00 0.00 N ATOM 1054 CZ ARG A 72 10.012 -13.412 6.290 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.958 -14.719 6.509 1.00 0.00 N ATOM 1056 NH2 ARG A 72 11.130 -12.746 6.550 1.00 0.00 N ATOM 0 H ARG A 72 2.886 -14.343 6.321 1.00 0.00 H new ATOM 0 HA ARG A 72 4.745 -12.131 6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.061 -14.764 7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.477 -14.720 5.480 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.796 -12.751 7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.324 -14.422 7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.880 -14.379 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.122 -12.813 4.796 1.00 0.00 H new ATOM 0 HE ARG A 72 9.027 -11.766 5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.101 -15.234 6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.774 -15.209 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.175 -11.741 6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.944 -13.239 6.917 1.00 0.00 H new ATOM 1070 N VAL A 73 4.608 -11.183 4.537 1.00 0.00 N ATOM 1071 CA VAL A 73 4.668 -10.606 3.199 1.00 0.00 C ATOM 1072 C VAL A 73 5.869 -9.679 3.053 1.00 0.00 C ATOM 1073 O VAL A 73 6.333 -9.089 4.028 1.00 0.00 O ATOM 1074 CB VAL A 73 3.384 -9.822 2.868 1.00 0.00 C ATOM 1075 CG1 VAL A 73 3.614 -8.899 1.681 1.00 0.00 C ATOM 1076 CG2 VAL A 73 2.232 -10.777 2.596 1.00 0.00 C ATOM 0 H VAL A 73 4.647 -10.499 5.293 1.00 0.00 H new ATOM 0 HA VAL A 73 4.768 -11.437 2.500 1.00 0.00 H new ATOM 0 HB VAL A 73 3.121 -9.208 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.696 -8.353 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.409 -8.192 1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.902 -9.490 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.333 -10.206 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.483 -11.418 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.053 -11.392 3.478 1.00 0.00 H new ATOM 1086 N GLY A 74 6.368 -9.555 1.827 1.00 0.00 N ATOM 1087 CA GLY A 74 7.512 -8.697 1.576 1.00 0.00 C ATOM 1088 C GLY A 74 7.205 -7.602 0.573 1.00 0.00 C ATOM 1089 O GLY A 74 7.381 -7.785 -0.631 1.00 0.00 O ATOM 0 H GLY A 74 6.001 -10.033 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.837 -8.246 2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.342 -9.301 1.208 1.00 0.00 H new ATOM 1093 N VAL A 75 6.744 -6.459 1.071 1.00 0.00 N ATOM 1094 CA VAL A 75 6.411 -5.329 0.211 1.00 0.00 C ATOM 1095 C VAL A 75 7.661 -4.545 -0.174 1.00 0.00 C ATOM 1096 O VAL A 75 8.414 -4.098 0.690 1.00 0.00 O ATOM 1097 CB VAL A 75 5.411 -4.378 0.895 1.00 0.00 C ATOM 1098 CG1 VAL A 75 5.220 -3.118 0.065 1.00 0.00 C ATOM 1099 CG2 VAL A 75 4.082 -5.080 1.127 1.00 0.00 C ATOM 0 H VAL A 75 6.593 -6.291 2.066 1.00 0.00 H new ATOM 0 HA VAL A 75 5.952 -5.740 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 75 5.816 -4.088 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.510 -2.458 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.176 -2.606 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.837 -3.386 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.387 -4.393 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.668 -5.401 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.237 -5.950 1.765 1.00 0.00 H new ATOM 1109 N GLN A 76 7.873 -4.382 -1.476 1.00 0.00 N ATOM 1110 CA GLN A 76 9.032 -3.651 -1.975 1.00 0.00 C ATOM 1111 C GLN A 76 8.608 -2.559 -2.951 1.00 0.00 C ATOM 1112 O GLN A 76 8.169 -2.844 -4.065 1.00 0.00 O ATOM 1113 CB GLN A 76 10.010 -4.609 -2.656 1.00 0.00 C ATOM 1114 CG GLN A 76 11.363 -3.984 -2.959 1.00 0.00 C ATOM 1115 CD GLN A 76 12.254 -4.891 -3.784 1.00 0.00 C ATOM 1116 OE1 GLN A 76 12.618 -5.984 -3.350 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.610 -4.441 -4.981 1.00 0.00 N ATOM 0 H GLN A 76 7.258 -4.746 -2.204 1.00 0.00 H new ATOM 0 HA GLN A 76 9.527 -3.181 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.156 -5.480 -2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.568 -4.966 -3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.214 -3.045 -3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.865 -3.742 -2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.285 -3.529 -5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.209 -5.008 -5.582 1.00 0.00 H new ATOM 1126 N VAL A 77 8.741 -1.307 -2.525 1.00 0.00 N ATOM 1127 CA VAL A 77 8.372 -0.171 -3.362 1.00 0.00 C ATOM 1128 C VAL A 77 9.403 0.059 -4.461 1.00 0.00 C ATOM 1129 O VAL A 77 10.502 0.552 -4.204 1.00 0.00 O ATOM 1130 CB VAL A 77 8.230 1.117 -2.529 1.00 0.00 C ATOM 1131 CG1 VAL A 77 7.843 2.288 -3.419 1.00 0.00 C ATOM 1132 CG2 VAL A 77 7.210 0.922 -1.417 1.00 0.00 C ATOM 0 H VAL A 77 9.102 -1.053 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 77 7.410 -0.410 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 77 9.194 1.342 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.747 3.189 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.613 2.440 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.891 2.076 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.122 1.842 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.242 0.673 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.534 0.112 -0.764 1.00 0.00 H new ATOM 1142 N LEU A 78 9.042 -0.300 -5.688 1.00 0.00 N ATOM 1143 CA LEU A 78 9.935 -0.133 -6.829 1.00 0.00 C ATOM 1144 C LEU A 78 9.697 1.209 -7.514 1.00 0.00 C ATOM 1145 O LEU A 78 8.610 1.779 -7.423 1.00 0.00 O ATOM 1146 CB LEU A 78 9.736 -1.272 -7.829 1.00 0.00 C ATOM 1147 CG LEU A 78 10.606 -2.512 -7.617 1.00 0.00 C ATOM 1148 CD1 LEU A 78 10.105 -3.668 -8.469 1.00 0.00 C ATOM 1149 CD2 LEU A 78 12.061 -2.203 -7.937 1.00 0.00 C ATOM 0 H LEU A 78 8.136 -0.709 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 78 10.961 -0.156 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.690 -1.577 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.926 -0.886 -8.831 1.00 0.00 H new ATOM 0 HG LEU A 78 10.539 -2.804 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.736 -4.541 -8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.078 -3.906 -8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.141 -3.387 -9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.666 -3.096 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.145 -1.885 -8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.416 -1.406 -7.284 1.00 0.00 H new ATOM 1161 N ASP A 79 10.719 1.705 -8.202 1.00 0.00 N ATOM 1162 CA ASP A 79 10.620 2.978 -8.907 1.00 0.00 C ATOM 1163 C ASP A 79 10.433 2.757 -10.404 1.00 0.00 C ATOM 1164 O ASP A 79 11.322 2.239 -11.081 1.00 0.00 O ATOM 1165 CB ASP A 79 11.870 3.824 -8.655 1.00 0.00 C ATOM 1166 CG ASP A 79 11.885 5.094 -9.481 1.00 0.00 C ATOM 1167 OD1 ASP A 79 11.731 5.000 -10.717 1.00 0.00 O ATOM 1168 OD2 ASP A 79 12.053 6.183 -8.893 1.00 0.00 O ATOM 0 H ASP A 79 11.626 1.245 -8.287 1.00 0.00 H new ATOM 0 HA ASP A 79 9.748 3.510 -8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.924 4.081 -7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.757 3.234 -8.885 1.00 0.00 H new ATOM 1173 N ARG A 80 9.272 3.152 -10.915 1.00 0.00 N ATOM 1174 CA ARG A 80 8.968 2.995 -12.333 1.00 0.00 C ATOM 1175 C ARG A 80 8.863 4.354 -13.020 1.00 0.00 C ATOM 1176 O ARG A 80 9.567 4.625 -13.993 1.00 0.00 O ATOM 1177 CB ARG A 80 7.662 2.219 -12.513 1.00 0.00 C ATOM 1178 CG ARG A 80 7.718 0.800 -11.970 1.00 0.00 C ATOM 1179 CD ARG A 80 8.474 -0.127 -12.910 1.00 0.00 C ATOM 1180 NE ARG A 80 9.920 -0.013 -12.745 1.00 0.00 N ATOM 1181 CZ ARG A 80 10.798 -0.731 -13.437 1.00 0.00 C ATOM 1182 NH1 ARG A 80 10.378 -1.609 -14.337 1.00 0.00 N ATOM 1183 NH2 ARG A 80 12.099 -0.570 -13.230 1.00 0.00 N ATOM 0 H ARG A 80 8.526 3.583 -10.369 1.00 0.00 H new ATOM 0 HA ARG A 80 9.782 2.436 -12.794 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.857 2.759 -12.014 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.413 2.184 -13.574 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.201 0.802 -10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.705 0.425 -11.824 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.168 -1.157 -12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.207 0.106 -13.941 1.00 0.00 H new ATOM 0 HE ARG A 80 10.276 0.655 -12.061 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.379 -1.734 -14.499 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.054 -2.159 -14.867 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.426 0.105 -12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.772 -1.122 -13.762 1.00 0.00 H new ATOM 1197 N LYS A 81 7.979 5.203 -12.508 1.00 0.00 N ATOM 1198 CA LYS A 81 7.781 6.534 -13.070 1.00 0.00 C ATOM 1199 C LYS A 81 8.246 7.611 -12.096 1.00 0.00 C ATOM 1200 O LYS A 81 8.233 7.410 -10.881 1.00 0.00 O ATOM 1201 CB LYS A 81 6.307 6.748 -13.420 1.00 0.00 C ATOM 1202 CG LYS A 81 5.949 8.201 -13.679 1.00 0.00 C ATOM 1203 CD LYS A 81 6.376 8.642 -15.069 1.00 0.00 C ATOM 1204 CE LYS A 81 5.633 9.894 -15.510 1.00 0.00 C ATOM 1205 NZ LYS A 81 5.495 9.963 -16.992 1.00 0.00 N ATOM 0 H LYS A 81 7.388 4.993 -11.704 1.00 0.00 H new ATOM 0 HA LYS A 81 8.378 6.610 -13.979 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.063 6.159 -14.304 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.690 6.370 -12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.873 8.337 -13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.429 8.833 -12.932 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.449 8.833 -15.078 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.189 7.837 -15.780 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.644 9.910 -15.052 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.164 10.776 -15.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.983 10.830 -17.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.439 9.973 -17.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.966 9.134 -17.330 1.00 0.00 H new ATOM 1219 N ASP A 82 8.653 8.755 -12.635 1.00 0.00 N ATOM 1220 CA ASP A 82 9.118 9.865 -11.812 1.00 0.00 C ATOM 1221 C ASP A 82 8.025 10.328 -10.854 1.00 0.00 C ATOM 1222 O ASP A 82 8.143 10.173 -9.640 1.00 0.00 O ATOM 1223 CB ASP A 82 9.565 11.031 -12.696 1.00 0.00 C ATOM 1224 CG ASP A 82 10.641 11.875 -12.042 1.00 0.00 C ATOM 1225 OD1 ASP A 82 11.763 11.361 -11.849 1.00 0.00 O ATOM 1226 OD2 ASP A 82 10.362 13.049 -11.723 1.00 0.00 O ATOM 0 H ASP A 82 8.670 8.938 -13.638 1.00 0.00 H new ATOM 0 HA ASP A 82 9.968 9.517 -11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.938 10.642 -13.643 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.704 11.659 -12.926 1.00 0.00 H new ATOM 1231 N GLY A 83 6.960 10.897 -11.410 1.00 0.00 N ATOM 1232 CA GLY A 83 5.861 11.375 -10.591 1.00 0.00 C ATOM 1233 C GLY A 83 4.916 10.262 -10.184 1.00 0.00 C ATOM 1234 O GLY A 83 3.723 10.494 -9.984 1.00 0.00 O ATOM 0 H GLY A 83 6.838 11.036 -12.413 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.260 11.854 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.306 12.136 -11.140 1.00 0.00 H new ATOM 1238 N SER A 84 5.448 9.050 -10.062 1.00 0.00 N ATOM 1239 CA SER A 84 4.641 7.896 -9.681 1.00 0.00 C ATOM 1240 C SER A 84 5.516 6.793 -9.093 1.00 0.00 C ATOM 1241 O SER A 84 6.743 6.892 -9.091 1.00 0.00 O ATOM 1242 CB SER A 84 3.873 7.363 -10.892 1.00 0.00 C ATOM 1243 OG SER A 84 2.570 7.916 -10.954 1.00 0.00 O ATOM 0 H SER A 84 6.434 8.841 -10.221 1.00 0.00 H new ATOM 0 HA SER A 84 3.929 8.216 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.417 7.603 -11.806 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.808 6.276 -10.836 1.00 0.00 H new ATOM 0 HG SER A 84 2.598 8.853 -10.668 1.00 0.00 H new ATOM 1249 N PHE A 85 4.875 5.741 -8.594 1.00 0.00 N ATOM 1250 CA PHE A 85 5.592 4.619 -8.001 1.00 0.00 C ATOM 1251 C PHE A 85 4.802 3.324 -8.159 1.00 0.00 C ATOM 1252 O PHE A 85 3.604 3.346 -8.444 1.00 0.00 O ATOM 1253 CB PHE A 85 5.865 4.886 -6.520 1.00 0.00 C ATOM 1254 CG PHE A 85 7.012 5.826 -6.281 1.00 0.00 C ATOM 1255 CD1 PHE A 85 8.318 5.417 -6.500 1.00 0.00 C ATOM 1256 CD2 PHE A 85 6.785 7.119 -5.837 1.00 0.00 C ATOM 1257 CE1 PHE A 85 9.375 6.279 -6.282 1.00 0.00 C ATOM 1258 CE2 PHE A 85 7.838 7.986 -5.618 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.135 7.565 -5.840 1.00 0.00 C ATOM 0 H PHE A 85 3.860 5.643 -8.589 1.00 0.00 H new ATOM 0 HA PHE A 85 6.542 4.510 -8.524 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.966 5.299 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.071 3.939 -6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.512 4.412 -6.845 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.773 7.453 -5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.388 5.948 -6.457 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.648 8.992 -5.274 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.960 8.241 -5.668 1.00 0.00 H new ATOM 1269 N ILE A 86 5.480 2.197 -7.973 1.00 0.00 N ATOM 1270 CA ILE A 86 4.842 0.892 -8.094 1.00 0.00 C ATOM 1271 C ILE A 86 5.022 0.072 -6.821 1.00 0.00 C ATOM 1272 O ILE A 86 6.058 0.149 -6.161 1.00 0.00 O ATOM 1273 CB ILE A 86 5.406 0.098 -9.287 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.365 -0.897 -9.803 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.684 -0.625 -8.886 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.762 -1.571 -11.098 1.00 0.00 C ATOM 0 H ILE A 86 6.472 2.161 -7.738 1.00 0.00 H new ATOM 0 HA ILE A 86 3.780 1.074 -8.259 1.00 0.00 H new ATOM 0 HB ILE A 86 5.643 0.796 -10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.196 -1.660 -9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.418 -0.377 -9.949 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.070 -1.182 -9.740 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.427 0.103 -8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.471 -1.315 -8.070 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.977 -2.263 -11.404 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.903 -0.817 -11.872 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.692 -2.120 -10.952 1.00 0.00 H new ATOM 1288 N VAL A 87 4.006 -0.716 -6.483 1.00 0.00 N ATOM 1289 CA VAL A 87 4.053 -1.554 -5.290 1.00 0.00 C ATOM 1290 C VAL A 87 4.022 -3.033 -5.657 1.00 0.00 C ATOM 1291 O VAL A 87 3.104 -3.497 -6.334 1.00 0.00 O ATOM 1292 CB VAL A 87 2.878 -1.247 -4.343 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.889 -2.195 -3.153 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.932 0.202 -3.880 1.00 0.00 C ATOM 0 H VAL A 87 3.141 -0.792 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 87 4.990 -1.328 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 87 1.946 -1.397 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.052 -1.963 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.799 -3.223 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.824 -2.080 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.094 0.402 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.869 0.380 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.872 0.863 -4.745 1.00 0.00 H new ATOM 1304 N ARG A 88 5.031 -3.770 -5.204 1.00 0.00 N ATOM 1305 CA ARG A 88 5.120 -5.198 -5.485 1.00 0.00 C ATOM 1306 C ARG A 88 5.340 -5.992 -4.200 1.00 0.00 C ATOM 1307 O ARG A 88 6.032 -5.538 -3.288 1.00 0.00 O ATOM 1308 CB ARG A 88 6.258 -5.476 -6.469 1.00 0.00 C ATOM 1309 CG ARG A 88 5.983 -4.970 -7.876 1.00 0.00 C ATOM 1310 CD ARG A 88 4.956 -5.836 -8.588 1.00 0.00 C ATOM 1311 NE ARG A 88 5.579 -6.943 -9.309 1.00 0.00 N ATOM 1312 CZ ARG A 88 4.921 -7.740 -10.144 1.00 0.00 C ATOM 1313 NH1 ARG A 88 3.627 -7.552 -10.363 1.00 0.00 N ATOM 1314 NH2 ARG A 88 5.558 -8.725 -10.763 1.00 0.00 N ATOM 0 H ARG A 88 5.798 -3.402 -4.641 1.00 0.00 H new ATOM 0 HA ARG A 88 4.177 -5.514 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.171 -5.011 -6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.440 -6.550 -6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.625 -3.942 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.911 -4.959 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.247 -6.231 -7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.387 -5.223 -9.287 1.00 0.00 H new ATOM 0 HE ARG A 88 6.574 -7.114 -9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.135 -6.794 -9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.124 -8.165 -11.004 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.554 -8.871 -10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.052 -9.336 -11.404 1.00 0.00 H new ATOM 1328 N TYR A 89 4.747 -7.179 -4.136 1.00 0.00 N ATOM 1329 CA TYR A 89 4.875 -8.035 -2.962 1.00 0.00 C ATOM 1330 C TYR A 89 4.773 -9.507 -3.348 1.00 0.00 C ATOM 1331 O TYR A 89 4.149 -9.856 -4.350 1.00 0.00 O ATOM 1332 CB TYR A 89 3.796 -7.690 -1.933 1.00 0.00 C ATOM 1333 CG TYR A 89 2.435 -7.443 -2.543 1.00 0.00 C ATOM 1334 CD1 TYR A 89 2.218 -6.367 -3.394 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.365 -8.286 -2.267 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.975 -6.138 -3.953 1.00 0.00 C ATOM 1337 CE2 TYR A 89 0.120 -8.065 -2.822 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.070 -6.990 -3.664 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.310 -6.765 -4.218 1.00 0.00 O ATOM 0 H TYR A 89 4.173 -7.570 -4.883 1.00 0.00 H new ATOM 0 HA TYR A 89 5.857 -7.860 -2.522 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.720 -8.504 -1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.104 -6.802 -1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 89 3.034 -5.698 -3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.510 -9.129 -1.607 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.823 -5.296 -4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.700 -8.731 -2.598 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.204 -6.347 -5.098 1.00 0.00 H new ATOM 1349 N ARG A 90 5.391 -10.366 -2.544 1.00 0.00 N ATOM 1350 CA ARG A 90 5.372 -11.801 -2.801 1.00 0.00 C ATOM 1351 C ARG A 90 4.172 -12.458 -2.124 1.00 0.00 C ATOM 1352 O ARG A 90 3.657 -11.955 -1.126 1.00 0.00 O ATOM 1353 CB ARG A 90 6.667 -12.447 -2.305 1.00 0.00 C ATOM 1354 CG ARG A 90 6.685 -12.704 -0.807 1.00 0.00 C ATOM 1355 CD ARG A 90 8.031 -13.245 -0.351 1.00 0.00 C ATOM 1356 NE ARG A 90 9.097 -12.259 -0.503 1.00 0.00 N ATOM 1357 CZ ARG A 90 9.791 -12.093 -1.624 1.00 0.00 C ATOM 1358 NH1 ARG A 90 9.531 -12.843 -2.685 1.00 0.00 N ATOM 1359 NH2 ARG A 90 10.746 -11.174 -1.684 1.00 0.00 N ATOM 0 H ARG A 90 5.911 -10.093 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 90 5.288 -11.951 -3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.816 -13.391 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.507 -11.803 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.465 -11.778 -0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.900 -13.415 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.964 -13.549 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.277 -14.137 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 90 9.321 -11.665 0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.797 -13.550 -2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.065 -12.714 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.948 -10.594 -0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.278 -11.047 -2.545 1.00 0.00 H new ATOM 1373 N MET A 91 3.732 -13.585 -2.675 1.00 0.00 N ATOM 1374 CA MET A 91 2.594 -14.311 -2.124 1.00 0.00 C ATOM 1375 C MET A 91 2.826 -15.817 -2.189 1.00 0.00 C ATOM 1376 O MET A 91 3.149 -16.360 -3.246 1.00 0.00 O ATOM 1377 CB MET A 91 1.315 -13.947 -2.881 1.00 0.00 C ATOM 1378 CG MET A 91 0.060 -14.022 -2.025 1.00 0.00 C ATOM 1379 SD MET A 91 -0.064 -12.658 -0.853 1.00 0.00 S ATOM 1380 CE MET A 91 -1.503 -13.154 0.091 1.00 0.00 C ATOM 0 H MET A 91 4.146 -14.015 -3.502 1.00 0.00 H new ATOM 0 HA MET A 91 2.483 -14.024 -1.078 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.413 -12.937 -3.280 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.204 -14.617 -3.734 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.817 -14.021 -2.672 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.053 -14.966 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.401 -12.807 1.119 1.00 0.00 H new ATOM 0 HE2 MET A 91 -2.398 -12.717 -0.353 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.587 -14.241 0.082 1.00 0.00 H new ATOM 1390 N TYR A 92 2.659 -16.487 -1.054 1.00 0.00 N ATOM 1391 CA TYR A 92 2.853 -17.930 -0.983 1.00 0.00 C ATOM 1392 C TYR A 92 1.651 -18.671 -1.561 1.00 0.00 C ATOM 1393 O TYR A 92 1.788 -19.761 -2.115 1.00 0.00 O ATOM 1394 CB TYR A 92 3.085 -18.363 0.466 1.00 0.00 C ATOM 1395 CG TYR A 92 4.533 -18.289 0.896 1.00 0.00 C ATOM 1396 CD1 TYR A 92 5.227 -17.085 0.862 1.00 0.00 C ATOM 1397 CD2 TYR A 92 5.207 -19.421 1.335 1.00 0.00 C ATOM 1398 CE1 TYR A 92 6.550 -17.012 1.253 1.00 0.00 C ATOM 1399 CE2 TYR A 92 6.529 -19.357 1.730 1.00 0.00 C ATOM 1400 CZ TYR A 92 7.196 -18.151 1.687 1.00 0.00 C ATOM 1401 OH TYR A 92 8.514 -18.083 2.077 1.00 0.00 O ATOM 0 H TYR A 92 2.390 -16.054 -0.171 1.00 0.00 H new ATOM 0 HA TYR A 92 3.732 -18.183 -1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.487 -17.734 1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.729 -19.385 0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 92 4.723 -16.191 0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.689 -20.368 1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.075 -16.069 1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.038 -20.247 2.071 1.00 0.00 H new ATOM 0 HH TYR A 92 8.819 -18.972 2.356 1.00 0.00 H new ATOM 1411 N ALA A 93 0.474 -18.069 -1.427 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.753 -18.669 -1.938 1.00 0.00 C ATOM 1413 C ALA A 93 -1.826 -17.611 -2.169 1.00 0.00 C ATOM 1414 O ALA A 93 -1.674 -16.459 -1.762 1.00 0.00 O ATOM 1415 CB ALA A 93 -1.258 -19.736 -0.978 1.00 0.00 C ATOM 0 H ALA A 93 0.344 -17.167 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.528 -19.136 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.174 -20.176 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.502 -20.513 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.460 -19.285 -0.007 1.00 0.00 H new ATOM 1421 N SER A 94 -2.912 -18.010 -2.824 1.00 0.00 N ATOM 1422 CA SER A 94 -4.010 -17.094 -3.113 1.00 0.00 C ATOM 1423 C SER A 94 -4.620 -16.554 -1.823 1.00 0.00 C ATOM 1424 O SER A 94 -4.502 -17.168 -0.762 1.00 0.00 O ATOM 1425 CB SER A 94 -5.085 -17.799 -3.943 1.00 0.00 C ATOM 1426 OG SER A 94 -5.746 -18.794 -3.181 1.00 0.00 O ATOM 0 H SER A 94 -3.055 -18.961 -3.164 1.00 0.00 H new ATOM 0 HA SER A 94 -3.611 -16.256 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.811 -17.068 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.630 -18.253 -4.823 1.00 0.00 H new ATOM 0 HG SER A 94 -6.429 -19.229 -3.733 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.272 -15.400 -1.922 1.00 0.00 N ATOM 1433 CA TYR A 95 -5.899 -14.775 -0.764 1.00 0.00 C ATOM 1434 C TYR A 95 -7.343 -14.388 -1.069 1.00 0.00 C ATOM 1435 O TYR A 95 -7.628 -13.761 -2.089 1.00 0.00 O ATOM 1436 CB TYR A 95 -5.107 -13.538 -0.336 1.00 0.00 C ATOM 1437 CG TYR A 95 -5.571 -12.262 -1.001 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -6.739 -11.628 -0.595 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -4.842 -11.691 -2.037 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -7.167 -10.463 -1.201 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -5.262 -10.525 -2.647 1.00 0.00 C ATOM 1442 CZ TYR A 95 -6.425 -9.914 -2.226 1.00 0.00 C ATOM 1443 OH TYR A 95 -6.847 -8.754 -2.832 1.00 0.00 O ATOM 0 H TYR A 95 -5.380 -14.879 -2.792 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.901 -15.498 0.052 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.185 -13.423 0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.053 -13.695 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.322 -12.054 0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.932 -12.167 -2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.078 -9.984 -0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.683 -10.094 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.211 -8.501 -3.533 1.00 0.00 H new ATOM 1453 N LYS A 96 -8.251 -14.767 -0.176 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.666 -14.460 -0.345 1.00 0.00 C ATOM 1455 C LYS A 96 -9.945 -12.993 -0.034 1.00 0.00 C ATOM 1456 O LYS A 96 -10.649 -12.314 -0.781 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.515 -15.355 0.560 1.00 0.00 C ATOM 1458 CG LYS A 96 -10.668 -16.775 0.042 1.00 0.00 C ATOM 1459 CD LYS A 96 -11.940 -17.424 0.561 1.00 0.00 C ATOM 1460 CE LYS A 96 -12.378 -18.578 -0.328 1.00 0.00 C ATOM 1461 NZ LYS A 96 -13.584 -19.266 0.212 1.00 0.00 N ATOM 0 H LYS A 96 -8.032 -15.288 0.673 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.932 -14.650 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.064 -15.386 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.504 -14.910 0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.682 -16.766 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.806 -17.369 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.777 -17.786 1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.735 -16.680 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.591 -18.205 -1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.562 -19.295 -0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.851 -20.046 -0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.374 -19.644 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.370 -18.588 0.277 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.388 -12.511 1.072 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.577 -11.124 1.481 1.00 0.00 C ATOM 1477 C ASN A 97 -8.325 -10.582 2.164 1.00 0.00 C ATOM 1478 O ASN A 97 -7.819 -11.176 3.117 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.777 -11.007 2.423 1.00 0.00 C ATOM 1480 CG ASN A 97 -11.921 -11.917 2.019 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -12.581 -11.583 0.916 1.00 0.00 O flip ATOM 1482 ND2 ASN A 97 -12.207 -12.908 2.690 1.00 0.00 N flip ATOM 0 H ASN A 97 -8.802 -13.060 1.701 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.767 -10.531 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.464 -11.251 3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.125 -9.974 2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.672 -13.126 3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.979 -13.511 2.405 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.830 -9.453 1.670 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.637 -8.830 2.233 1.00 0.00 C ATOM 1491 C LEU A 98 -6.907 -7.376 2.606 1.00 0.00 C ATOM 1492 O LEU A 98 -7.739 -6.709 1.991 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.479 -8.906 1.236 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.591 -10.147 1.333 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -3.417 -10.040 0.372 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -4.099 -10.340 2.760 1.00 0.00 C ATOM 0 H LEU A 98 -8.236 -8.950 0.881 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.366 -9.374 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.890 -8.856 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.853 -8.024 1.369 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.184 -11.018 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.796 -10.932 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.789 -9.951 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.823 -9.160 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.469 -11.228 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.522 -9.467 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.953 -10.463 3.426 1.00 0.00 H new ATOM 1508 N LYS A 99 -6.195 -6.888 3.617 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.354 -5.511 4.071 1.00 0.00 C ATOM 1510 C LYS A 99 -5.138 -4.671 3.693 1.00 0.00 C ATOM 1511 O LYS A 99 -4.054 -4.844 4.249 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.562 -5.473 5.586 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.859 -4.085 6.125 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.649 -4.013 7.628 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.860 -4.535 8.385 1.00 0.00 C ATOM 1516 NZ LYS A 99 -8.863 -3.462 8.635 1.00 0.00 N ATOM 0 H LYS A 99 -5.502 -7.426 4.138 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.232 -5.091 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.384 -6.139 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.669 -5.861 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.215 -3.357 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.888 -3.814 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.769 -4.595 7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.453 -2.981 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.324 -5.341 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.538 -4.960 9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.810 -3.884 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.627 -2.966 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.853 -2.786 7.845 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.327 -3.758 2.745 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.247 -2.888 2.295 1.00 0.00 C ATOM 1532 C VAL A 100 -4.107 -1.671 3.202 1.00 0.00 C ATOM 1533 O VAL A 100 -5.100 -1.052 3.583 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.475 -2.413 0.848 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.413 -1.401 0.444 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.485 -3.597 -0.107 1.00 0.00 C ATOM 0 H VAL A 100 -6.218 -3.602 2.274 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.330 -3.475 2.336 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.448 -1.924 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.591 -1.077 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.459 -0.539 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.427 -1.861 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.647 -3.242 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.528 -4.117 -0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.286 -4.282 0.171 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.868 -1.335 3.545 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.599 -0.191 4.408 1.00 0.00 C ATOM 1548 C GLU A 101 -1.451 0.650 3.856 1.00 0.00 C ATOM 1549 O GLU A 101 -0.424 0.116 3.434 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.265 -0.661 5.826 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.485 -0.817 6.718 1.00 0.00 C ATOM 1552 CD GLU A 101 -3.122 -0.937 8.186 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.839 0.104 8.814 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.123 -2.073 8.705 1.00 0.00 O ATOM 0 H GLU A 101 -2.035 -1.838 3.239 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.497 0.427 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.742 -1.616 5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.579 0.052 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.144 0.040 6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.044 -1.702 6.412 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.633 1.966 3.863 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.613 2.880 3.364 1.00 0.00 C ATOM 1563 C ILE A 102 -0.496 4.112 4.254 1.00 0.00 C ATOM 1564 O ILE A 102 -1.499 4.723 4.623 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.917 3.329 1.922 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.396 2.142 1.085 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.315 3.964 1.294 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.855 1.803 1.296 1.00 0.00 C ATOM 0 H ILE A 102 -2.477 2.423 4.209 1.00 0.00 H new ATOM 0 HA ILE A 102 0.331 2.336 3.375 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.712 4.074 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.231 2.362 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.790 1.269 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.084 4.276 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.616 4.832 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.129 3.239 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.125 0.952 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.022 1.551 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.471 2.661 1.026 1.00 0.00 H new ATOM 1580 N LYS A 103 0.736 4.474 4.595 1.00 0.00 N ATOM 1581 CA LYS A 103 0.987 5.636 5.440 1.00 0.00 C ATOM 1582 C LYS A 103 2.255 6.362 5.003 1.00 0.00 C ATOM 1583 O LYS A 103 3.016 5.861 4.176 1.00 0.00 O ATOM 1584 CB LYS A 103 1.109 5.210 6.905 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.062 4.376 7.395 1.00 0.00 C ATOM 1586 CD LYS A 103 0.178 3.851 8.801 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.721 2.664 9.113 1.00 0.00 C ATOM 1588 NZ LYS A 103 -1.034 2.573 10.566 1.00 0.00 N ATOM 0 H LYS A 103 1.577 3.979 4.299 1.00 0.00 H new ATOM 0 HA LYS A 103 0.144 6.319 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.029 4.640 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.196 6.100 7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.970 4.978 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.224 3.539 6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.222 3.556 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.004 4.646 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.648 2.752 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.234 1.744 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.648 1.752 10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -0.151 2.464 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.521 3.440 10.871 1.00 0.00 H new ATOM 1602 N PHE A 104 2.477 7.546 5.566 1.00 0.00 N ATOM 1603 CA PHE A 104 3.653 8.341 5.235 1.00 0.00 C ATOM 1604 C PHE A 104 4.213 9.028 6.477 1.00 0.00 C ATOM 1605 O PHE A 104 3.603 9.952 7.015 1.00 0.00 O ATOM 1606 CB PHE A 104 3.306 9.387 4.173 1.00 0.00 C ATOM 1607 CG PHE A 104 4.259 10.547 4.140 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.497 10.426 3.528 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.918 11.758 4.720 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.377 11.492 3.496 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.793 12.827 4.690 1.00 0.00 C ATOM 1612 CZ PHE A 104 6.025 12.694 4.078 1.00 0.00 C ATOM 0 H PHE A 104 1.858 7.975 6.253 1.00 0.00 H new ATOM 0 HA PHE A 104 4.414 7.669 4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.294 8.909 3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.299 9.760 4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.777 9.488 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.957 11.868 5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.339 11.385 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.514 13.766 5.145 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.711 13.528 4.055 1.00 0.00 H new ATOM 1622 N GLN A 105 5.376 8.569 6.927 1.00 0.00 N ATOM 1623 CA GLN A 105 6.017 9.138 8.107 1.00 0.00 C ATOM 1624 C GLN A 105 5.045 9.194 9.281 1.00 0.00 C ATOM 1625 O GLN A 105 5.176 10.035 10.168 1.00 0.00 O ATOM 1626 CB GLN A 105 6.546 10.540 7.799 1.00 0.00 C ATOM 1627 CG GLN A 105 7.821 10.542 6.972 1.00 0.00 C ATOM 1628 CD GLN A 105 9.034 10.106 7.770 1.00 0.00 C ATOM 1629 OE1 GLN A 105 9.198 10.485 8.930 1.00 0.00 O ATOM 1630 NE2 GLN A 105 9.893 9.303 7.152 1.00 0.00 N ATOM 0 H GLN A 105 5.894 7.805 6.493 1.00 0.00 H new ATOM 0 HA GLN A 105 6.853 8.494 8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.777 11.100 7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.731 11.064 8.737 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.696 9.878 6.116 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.992 11.543 6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.718 9.013 6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.727 8.976 7.640 1.00 0.00 H new ATOM 1639 N GLY A 106 4.068 8.292 9.278 1.00 0.00 N ATOM 1640 CA GLY A 106 3.088 8.256 10.347 1.00 0.00 C ATOM 1641 C GLY A 106 1.817 9.003 9.994 1.00 0.00 C ATOM 1642 O GLY A 106 1.215 9.654 10.848 1.00 0.00 O ATOM 0 H GLY A 106 3.938 7.586 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.844 7.219 10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.522 8.689 11.248 1.00 0.00 H new ATOM 1646 N GLN A 107 1.410 8.911 8.732 1.00 0.00 N ATOM 1647 CA GLN A 107 0.204 9.586 8.268 1.00 0.00 C ATOM 1648 C GLN A 107 -0.393 8.867 7.062 1.00 0.00 C ATOM 1649 O GLN A 107 0.244 8.757 6.014 1.00 0.00 O ATOM 1650 CB GLN A 107 0.514 11.040 7.907 1.00 0.00 C ATOM 1651 CG GLN A 107 0.986 11.872 9.089 1.00 0.00 C ATOM 1652 CD GLN A 107 1.406 13.272 8.686 1.00 0.00 C ATOM 1653 OE1 GLN A 107 0.704 14.246 8.959 1.00 0.00 O ATOM 1654 NE2 GLN A 107 2.557 13.380 8.032 1.00 0.00 N ATOM 0 H GLN A 107 1.897 8.376 8.013 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.526 9.568 9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.280 11.058 7.132 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.379 11.499 7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.186 11.935 9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.825 11.369 9.570 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.107 12.546 7.827 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.891 14.297 7.735 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.619 8.379 7.218 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.302 7.670 6.142 1.00 0.00 C ATOM 1665 C HIS A 108 -2.373 8.530 4.884 1.00 0.00 C ATOM 1666 O HIS A 108 -2.481 9.754 4.962 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.711 7.270 6.580 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.761 5.971 7.325 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.112 4.776 6.733 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.499 5.684 8.622 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -4.066 3.811 7.634 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.696 4.336 8.788 1.00 0.00 N ATOM 0 H HIS A 108 -2.160 8.461 8.079 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.731 6.770 5.914 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.124 8.057 7.211 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.350 7.199 5.700 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.192 6.385 9.384 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.292 2.770 7.457 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.576 3.823 9.661 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.310 7.882 3.725 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.367 8.588 2.450 1.00 0.00 C ATOM 1683 C VAL A 109 -3.747 8.463 1.814 1.00 0.00 C ATOM 1684 O VAL A 109 -4.301 9.440 1.311 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.310 8.054 1.466 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.434 8.751 0.119 1.00 0.00 C ATOM 1687 CG2 VAL A 109 0.088 8.230 2.039 1.00 0.00 C ATOM 0 H VAL A 109 -2.219 6.869 3.643 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.161 9.638 2.659 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.485 6.989 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.679 8.361 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.426 8.569 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.286 9.823 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.822 7.847 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.276 9.288 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.168 7.681 2.977 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.298 7.253 1.841 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.614 7.000 1.269 1.00 0.00 C ATOM 1699 C ALA A 110 -6.611 6.587 2.347 1.00 0.00 C ATOM 1700 O ALA A 110 -6.293 6.594 3.537 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.525 5.930 0.192 1.00 0.00 C ATOM 0 H ALA A 110 -3.853 6.433 2.253 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.970 7.926 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.516 5.751 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.852 6.264 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.143 5.007 0.627 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.817 6.226 1.924 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.861 5.808 2.853 1.00 0.00 C ATOM 1709 C LYS A 111 -8.603 4.394 3.361 1.00 0.00 C ATOM 1710 O LYS A 111 -9.489 3.540 3.325 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.232 5.877 2.175 1.00 0.00 C ATOM 1712 CG LYS A 111 -10.889 7.243 2.268 1.00 0.00 C ATOM 1713 CD LYS A 111 -10.442 8.154 1.136 1.00 0.00 C ATOM 1714 CE LYS A 111 -11.130 7.796 -0.172 1.00 0.00 C ATOM 1715 NZ LYS A 111 -12.413 8.533 -0.344 1.00 0.00 N ATOM 0 H LYS A 111 -8.096 6.214 0.943 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.849 6.488 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.122 5.607 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.890 5.135 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.973 7.129 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.642 7.702 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.663 9.190 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.362 8.079 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.466 8.024 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.321 6.723 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.851 8.261 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.057 8.297 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.228 9.556 -0.343 1.00 0.00 H new ATOM 1729 N SER A 112 -7.385 4.153 3.834 1.00 0.00 N ATOM 1730 CA SER A 112 -7.010 2.840 4.347 1.00 0.00 C ATOM 1731 C SER A 112 -7.343 2.722 5.831 1.00 0.00 C ATOM 1732 O SER A 112 -7.533 3.716 6.533 1.00 0.00 O ATOM 1733 CB SER A 112 -5.516 2.591 4.127 1.00 0.00 C ATOM 1734 OG SER A 112 -5.286 1.930 2.895 1.00 0.00 O ATOM 0 H SER A 112 -6.641 4.849 3.873 1.00 0.00 H new ATOM 0 HA SER A 112 -7.581 2.088 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.980 3.540 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.120 1.990 4.945 1.00 0.00 H new ATOM 0 HG SER A 112 -6.107 1.940 2.360 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.418 1.476 6.323 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.195 0.285 5.497 1.00 0.00 C ATOM 1742 C PRO A 113 -8.317 0.060 4.490 1.00 0.00 C ATOM 1743 O PRO A 113 -9.317 0.779 4.488 1.00 0.00 O ATOM 1744 CB PRO A 113 -7.158 -0.854 6.520 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.955 -0.352 7.674 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.725 1.134 7.721 1.00 0.00 C ATOM 0 HA PRO A 113 -6.288 0.368 4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.587 -1.768 6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.135 -1.087 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -9.013 -0.579 7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.638 -0.826 8.603 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.606 1.666 8.081 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.902 1.392 8.388 1.00 0.00 H new ATOM 1754 N TYR A 114 -8.146 -0.942 3.635 1.00 0.00 N ATOM 1755 CA TYR A 114 -9.144 -1.261 2.621 1.00 0.00 C ATOM 1756 C TYR A 114 -9.579 -2.719 2.723 1.00 0.00 C ATOM 1757 O TYR A 114 -8.746 -3.623 2.797 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.589 -0.980 1.223 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.614 0.484 0.844 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.809 1.119 0.528 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.444 1.231 0.802 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.838 2.455 0.180 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.463 2.569 0.457 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.662 3.176 0.147 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.685 4.508 -0.199 1.00 0.00 O ATOM 0 H TYR A 114 -7.325 -1.548 3.624 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.015 -0.628 2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.563 -1.343 1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.166 -1.546 0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.731 0.558 0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.503 0.758 1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.775 2.933 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.544 3.136 0.430 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.426 4.672 -0.819 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.889 -2.940 2.727 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.436 -4.288 2.819 1.00 0.00 C ATOM 1777 C ILE A 115 -12.144 -4.684 1.528 1.00 0.00 C ATOM 1778 O ILE A 115 -13.237 -4.199 1.233 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.424 -4.416 3.993 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.922 -3.620 5.200 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.623 -5.879 4.362 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.620 -4.140 5.767 1.00 0.00 C ATOM 0 H ILE A 115 -11.591 -2.203 2.668 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.594 -4.959 2.989 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.386 -4.006 3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.792 -2.578 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.683 -3.640 5.980 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.324 -5.952 5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.021 -6.420 3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.667 -6.314 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.324 -3.528 6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.750 -5.173 6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.846 -4.094 5.001 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.515 -5.568 0.761 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.085 -6.031 -0.499 1.00 0.00 C ATOM 1796 C LEU A 116 -12.627 -7.450 -0.362 1.00 0.00 C ATOM 1797 O LEU A 116 -11.875 -8.423 -0.430 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.032 -5.979 -1.607 1.00 0.00 C ATOM 1799 CG LEU A 116 -10.370 -4.621 -1.841 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -8.936 -4.801 -2.315 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -11.168 -3.805 -2.848 1.00 0.00 C ATOM 0 H LEU A 116 -10.610 -5.978 0.990 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.911 -5.370 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.253 -6.705 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.498 -6.299 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.353 -4.079 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.481 -3.824 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.369 -5.345 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.929 -5.363 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.682 -2.842 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.217 -4.343 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.177 -3.646 -2.469 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.937 -7.562 -0.172 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.582 -8.862 -0.030 1.00 0.00 C ATOM 1815 C LYS A 117 -15.809 -8.962 -0.930 1.00 0.00 C ATOM 1816 O LYS A 117 -16.125 -8.032 -1.671 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.986 -9.097 1.428 1.00 0.00 C ATOM 1818 CG LYS A 117 -16.051 -8.136 1.926 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.441 -6.838 2.429 1.00 0.00 C ATOM 1820 CE LYS A 117 -16.415 -6.067 3.306 1.00 0.00 C ATOM 1821 NZ LYS A 117 -15.871 -4.739 3.705 1.00 0.00 N ATOM 0 H LYS A 117 -14.574 -6.767 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 117 -13.868 -9.629 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.351 -10.118 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.103 -9.007 2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.753 -7.921 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.620 -8.606 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -14.535 -7.056 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.147 -6.220 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.354 -5.929 2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.640 -6.650 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -16.655 -4.107 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -15.234 -4.855 4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -15.344 -4.326 2.909 1.00 0.00 H new