USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 995 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 80 LYS NZ :NH3+ -105:sc= 0.295 (180deg=0) USER MOD Set 1.2: A 81 ASN : amide:sc= 0.914 K(o=1.2,f=-3.8!) USER MOD Set 1.3: A 84 THR OG1 : rot 82:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= -0.0763 (180deg=-0.077) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0859 USER MOD Single : A 16 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.028) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 143:sc= -3.79! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -9.63! C(o=-12!,f=-9.6!) USER MOD Single : A 31 THR OG1 : rot -75:sc= 0.887 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.0792 K(o=-0.079,f=-0.62) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 126:sc= -3.46! USER MOD Single : A 52 GLN : amide:sc= -0.0101 K(o=-0.01,f=-3.5!) USER MOD Single : A 55 ASN : amide:sc= -2.49 K(o=-2.5,f=-15!) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.85 F(o=-1.6,f=-0.85) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 95:sc= 0.143 USER MOD Single : A 63 ASN : amide:sc=-0.00833 K(o=-0.0083,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.0156 (180deg=-0.195) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.626 F(o=-1.9,f=-0.63) USER MOD Single : A 75 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.5!) USER MOD Single : A 78 CYS SG : rot 180:sc= 0.0299 USER MOD Single : A 87 THR OG1 : rot 67:sc= 1.05 USER MOD Single : A 89 CYS SG : rot 128:sc= 0.412 USER MOD Single : A 90 CYS SG : rot -60:sc= -1.32 USER MOD Single : A 92 THR OG1 : rot -177:sc= 0.497 USER MOD Single : A 95 MET CE :methyl 178:sc= -1.73 (180deg=-1.77!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc=-0.00447 USER MOD Single : A 114 LYS NZ :NH3+ -155:sc= -0.141 (180deg=-0.958) USER MOD Single : A 118 THR OG1 : rot -62:sc= -0.161 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -100:sc= 1.16 USER MOD Single : A 125 THR OG1 : rot -79:sc= 1.25 USER MOD Single : A 131 THR OG1 : rot -64:sc= 0.817 USER MOD ----------------------------------------------------------------- ATOM 98 N PRO A 10 11.719 1.350 7.286 1.00 0.00 N ATOM 99 CA PRO A 10 10.994 0.363 6.480 1.00 0.00 C ATOM 100 C PRO A 10 10.225 1.006 5.330 1.00 0.00 C ATOM 101 O PRO A 10 9.855 0.334 4.368 1.00 0.00 O ATOM 102 CB PRO A 10 10.025 -0.270 7.482 1.00 0.00 C ATOM 103 CG PRO A 10 9.828 0.772 8.529 1.00 0.00 C ATOM 104 CD PRO A 10 11.133 1.513 8.627 1.00 0.00 C ATOM 0 HA PRO A 10 11.668 -0.352 6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.081 -0.536 7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.437 -1.185 7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.015 1.447 8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.563 0.320 9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.981 2.564 8.874 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.776 1.093 9.400 1.00 0.00 H new ATOM 112 N TRP A 11 9.991 2.308 5.437 1.00 0.00 N ATOM 113 CA TRP A 11 9.266 3.041 4.404 1.00 0.00 C ATOM 114 C TRP A 11 10.230 3.647 3.390 1.00 0.00 C ATOM 115 O TRP A 11 9.999 3.579 2.182 1.00 0.00 O ATOM 116 CB TRP A 11 8.412 4.142 5.036 1.00 0.00 C ATOM 117 CG TRP A 11 9.176 5.402 5.310 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.864 5.713 6.448 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.327 6.522 4.430 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.433 6.958 6.329 1.00 0.00 N ATOM 121 CE2 TRP A 11 10.119 7.474 5.099 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.871 6.811 3.141 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.464 8.694 4.522 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.214 8.022 2.569 1.00 0.00 C ATOM 125 CH2 TRP A 11 10.004 8.951 3.259 1.00 0.00 C ATOM 0 H TRP A 11 10.292 2.878 6.227 1.00 0.00 H new ATOM 0 HA TRP A 11 8.614 2.339 3.884 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.576 4.369 4.374 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.988 3.772 5.970 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.948 5.074 7.315 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.997 7.423 7.040 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.262 6.101 2.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.073 9.411 5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.867 8.256 1.573 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.255 9.888 2.785 1.00 0.00 H new ATOM 136 N LYS A 12 11.311 4.239 3.886 1.00 0.00 N ATOM 137 CA LYS A 12 12.311 4.855 3.023 1.00 0.00 C ATOM 138 C LYS A 12 12.584 3.987 1.799 1.00 0.00 C ATOM 139 O LYS A 12 12.684 4.489 0.680 1.00 0.00 O ATOM 140 CB LYS A 12 13.610 5.087 3.797 1.00 0.00 C ATOM 141 CG LYS A 12 13.657 6.420 4.523 1.00 0.00 C ATOM 142 CD LYS A 12 13.511 7.585 3.559 1.00 0.00 C ATOM 143 CE LYS A 12 14.268 8.811 4.047 1.00 0.00 C ATOM 144 NZ LYS A 12 14.383 9.851 2.987 1.00 0.00 N ATOM 0 H LYS A 12 11.517 4.305 4.883 1.00 0.00 H new ATOM 0 HA LYS A 12 11.920 5.815 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.739 4.283 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.450 5.030 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.860 6.459 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.600 6.509 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.882 7.294 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.456 7.831 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.758 9.231 4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.264 8.516 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.920 10.663 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.877 9.453 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.433 10.164 2.703 1.00 0.00 H new ATOM 158 N GLN A 13 12.701 2.681 2.021 1.00 0.00 N ATOM 159 CA GLN A 13 12.962 1.743 0.935 1.00 0.00 C ATOM 160 C GLN A 13 11.674 1.393 0.197 1.00 0.00 C ATOM 161 O GLN A 13 11.657 1.297 -1.031 1.00 0.00 O ATOM 162 CB GLN A 13 13.615 0.471 1.477 1.00 0.00 C ATOM 163 CG GLN A 13 12.759 -0.265 2.496 1.00 0.00 C ATOM 164 CD GLN A 13 13.499 -1.408 3.162 1.00 0.00 C ATOM 165 OE1 GLN A 13 14.526 -1.205 3.810 1.00 0.00 O ATOM 166 NE2 GLN A 13 12.979 -2.621 3.007 1.00 0.00 N ATOM 0 H GLN A 13 12.619 2.249 2.942 1.00 0.00 H new ATOM 0 HA GLN A 13 13.644 2.221 0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.832 -0.199 0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.570 0.729 1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.423 0.438 3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.867 -0.652 2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.126 -2.744 2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.433 -3.429 3.433 1.00 0.00 H new ATOM 175 N CYS A 14 10.598 1.204 0.953 1.00 0.00 N ATOM 176 CA CYS A 14 9.305 0.863 0.371 1.00 0.00 C ATOM 177 C CYS A 14 8.940 1.833 -0.748 1.00 0.00 C ATOM 178 O CYS A 14 8.396 1.433 -1.777 1.00 0.00 O ATOM 179 CB CYS A 14 8.218 0.875 1.447 1.00 0.00 C ATOM 180 SG CYS A 14 6.554 0.554 0.819 1.00 0.00 S ATOM 0 H CYS A 14 10.596 1.281 1.970 1.00 0.00 H new ATOM 0 HA CYS A 14 9.377 -0.140 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.461 0.127 2.202 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.226 1.844 1.945 1.00 0.00 H new ATOM 0 HG CYS A 14 5.706 0.583 1.804 1.00 0.00 H new ATOM 186 N ALA A 15 9.242 3.111 -0.539 1.00 0.00 N ATOM 187 CA ALA A 15 8.946 4.138 -1.530 1.00 0.00 C ATOM 188 C ALA A 15 9.408 3.711 -2.918 1.00 0.00 C ATOM 189 O ALA A 15 8.703 3.912 -3.906 1.00 0.00 O ATOM 190 CB ALA A 15 9.598 5.455 -1.136 1.00 0.00 C ATOM 0 H ALA A 15 9.691 3.459 0.308 1.00 0.00 H new ATOM 0 HA ALA A 15 7.865 4.276 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.369 6.213 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.215 5.775 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.678 5.322 -1.073 1.00 0.00 H new ATOM 196 N GLN A 16 10.598 3.121 -2.985 1.00 0.00 N ATOM 197 CA GLN A 16 11.155 2.667 -4.254 1.00 0.00 C ATOM 198 C GLN A 16 10.233 1.651 -4.921 1.00 0.00 C ATOM 199 O GLN A 16 9.730 1.882 -6.020 1.00 0.00 O ATOM 200 CB GLN A 16 12.539 2.053 -4.038 1.00 0.00 C ATOM 201 CG GLN A 16 13.549 3.024 -3.449 1.00 0.00 C ATOM 202 CD GLN A 16 13.924 4.133 -4.413 1.00 0.00 C ATOM 203 OE1 GLN A 16 14.918 4.034 -5.134 1.00 0.00 O ATOM 204 NE2 GLN A 16 13.129 5.196 -4.431 1.00 0.00 N ATOM 0 H GLN A 16 11.194 2.947 -2.176 1.00 0.00 H new ATOM 0 HA GLN A 16 11.248 3.532 -4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.446 1.192 -3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.916 1.683 -4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.138 3.462 -2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.448 2.478 -3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.316 5.235 -3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.331 5.973 -5.060 1.00 0.00 H new ATOM 213 N TRP A 17 10.017 0.526 -4.248 1.00 0.00 N ATOM 214 CA TRP A 17 9.156 -0.526 -4.776 1.00 0.00 C ATOM 215 C TRP A 17 7.898 0.064 -5.404 1.00 0.00 C ATOM 216 O TRP A 17 7.539 -0.275 -6.533 1.00 0.00 O ATOM 217 CB TRP A 17 8.774 -1.506 -3.665 1.00 0.00 C ATOM 218 CG TRP A 17 8.138 -2.763 -4.175 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.695 -3.678 -5.022 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.823 -3.242 -3.872 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.805 -4.698 -5.264 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.650 -4.454 -4.569 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.776 -2.767 -3.078 1.00 0.00 C ATOM 224 CZ2 TRP A 17 5.472 -5.193 -4.496 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.608 -3.501 -3.007 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.464 -4.704 -3.711 1.00 0.00 C ATOM 0 H TRP A 17 10.426 0.319 -3.337 1.00 0.00 H new ATOM 0 HA TRP A 17 9.709 -1.060 -5.549 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.667 -1.764 -3.095 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.088 -1.014 -2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.688 -3.610 -5.440 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.977 -5.505 -5.864 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.878 -1.842 -2.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.358 -6.119 -5.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.792 -3.141 -2.398 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.539 -5.256 -3.632 1.00 0.00 H new ATOM 237 N LEU A 18 7.233 0.948 -4.669 1.00 0.00 N ATOM 238 CA LEU A 18 6.014 1.586 -5.155 1.00 0.00 C ATOM 239 C LEU A 18 6.234 2.200 -6.534 1.00 0.00 C ATOM 240 O LEU A 18 5.501 1.907 -7.479 1.00 0.00 O ATOM 241 CB LEU A 18 5.552 2.663 -4.172 1.00 0.00 C ATOM 242 CG LEU A 18 4.950 2.159 -2.860 1.00 0.00 C ATOM 243 CD1 LEU A 18 4.857 3.290 -1.847 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.579 1.544 -3.103 1.00 0.00 C ATOM 0 H LEU A 18 7.517 1.240 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 18 5.241 0.822 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.404 3.301 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.813 3.289 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 18 5.605 1.388 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.426 2.913 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.854 3.685 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.224 4.083 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.166 1.191 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.914 2.294 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.673 0.706 -3.794 1.00 0.00 H new ATOM 256 N ILE A 19 7.249 3.051 -6.642 1.00 0.00 N ATOM 257 CA ILE A 19 7.567 3.704 -7.906 1.00 0.00 C ATOM 258 C ILE A 19 7.733 2.682 -9.025 1.00 0.00 C ATOM 259 O ILE A 19 7.235 2.874 -10.135 1.00 0.00 O ATOM 260 CB ILE A 19 8.854 4.543 -7.797 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.710 5.597 -6.698 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.170 5.202 -9.132 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.005 6.306 -6.367 1.00 0.00 C ATOM 0 H ILE A 19 7.865 3.304 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 19 6.732 4.364 -8.140 1.00 0.00 H new ATOM 0 HB ILE A 19 9.680 3.882 -7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.970 6.335 -7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.326 5.120 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.082 5.792 -9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.310 4.434 -9.893 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.345 5.853 -9.421 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.828 7.039 -5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.741 5.578 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.380 6.812 -7.256 1.00 0.00 H new ATOM 275 N HIS A 20 8.435 1.593 -8.727 1.00 0.00 N ATOM 276 CA HIS A 20 8.665 0.539 -9.708 1.00 0.00 C ATOM 277 C HIS A 20 7.391 -0.265 -9.949 1.00 0.00 C ATOM 278 O HIS A 20 7.189 -0.815 -11.033 1.00 0.00 O ATOM 279 CB HIS A 20 9.786 -0.389 -9.238 1.00 0.00 C ATOM 280 CG HIS A 20 11.155 0.089 -9.611 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.823 -0.344 -10.737 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.982 0.970 -9.001 1.00 0.00 C ATOM 283 CE1 HIS A 20 13.002 0.248 -10.802 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.123 1.052 -9.760 1.00 0.00 N ATOM 0 H HIS A 20 8.854 1.418 -7.814 1.00 0.00 H new ATOM 0 HA HIS A 20 8.961 1.008 -10.646 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.729 -0.494 -8.155 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.628 -1.380 -9.663 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.781 1.509 -8.087 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.741 0.100 -11.575 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.932 1.638 -9.553 1.00 0.00 H new ATOM 293 N CYS A 21 6.536 -0.329 -8.935 1.00 0.00 N ATOM 294 CA CYS A 21 5.282 -1.068 -9.036 1.00 0.00 C ATOM 295 C CYS A 21 4.288 -0.330 -9.927 1.00 0.00 C ATOM 296 O CYS A 21 3.153 -0.772 -10.109 1.00 0.00 O ATOM 297 CB CYS A 21 4.679 -1.283 -7.648 1.00 0.00 C ATOM 298 SG CYS A 21 5.568 -2.489 -6.636 1.00 0.00 S ATOM 0 H CYS A 21 6.688 0.122 -8.033 1.00 0.00 H new ATOM 0 HA CYS A 21 5.495 -2.038 -9.485 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.657 -0.329 -7.121 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.645 -1.610 -7.759 1.00 0.00 H new ATOM 0 HG CYS A 21 5.575 -2.095 -5.397 1.00 0.00 H new ATOM 304 N LYS A 22 4.720 0.798 -10.480 1.00 0.00 N ATOM 305 CA LYS A 22 3.869 1.599 -11.352 1.00 0.00 C ATOM 306 C LYS A 22 2.697 2.189 -10.575 1.00 0.00 C ATOM 307 O LYS A 22 1.551 2.131 -11.022 1.00 0.00 O ATOM 308 CB LYS A 22 3.349 0.748 -12.513 1.00 0.00 C ATOM 309 CG LYS A 22 4.449 0.061 -13.303 1.00 0.00 C ATOM 310 CD LYS A 22 5.251 1.057 -14.125 1.00 0.00 C ATOM 311 CE LYS A 22 6.034 0.365 -15.230 1.00 0.00 C ATOM 312 NZ LYS A 22 6.507 1.329 -16.262 1.00 0.00 N ATOM 0 H LYS A 22 5.656 1.179 -10.340 1.00 0.00 H new ATOM 0 HA LYS A 22 4.467 2.418 -11.750 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.668 -0.008 -12.122 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.771 1.381 -13.186 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.114 -0.467 -12.619 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.011 -0.688 -13.963 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.578 1.795 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.938 1.598 -13.474 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.890 -0.154 -14.798 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.406 -0.392 -15.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.036 0.818 -16.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.689 1.806 -16.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.127 2.037 -15.818 1.00 0.00 H new ATOM 326 N VAL A 23 2.991 2.758 -9.410 1.00 0.00 N ATOM 327 CA VAL A 23 1.961 3.362 -8.573 1.00 0.00 C ATOM 328 C VAL A 23 2.297 4.813 -8.248 1.00 0.00 C ATOM 329 O VAL A 23 1.404 5.638 -8.047 1.00 0.00 O ATOM 330 CB VAL A 23 1.780 2.582 -7.257 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.364 1.146 -7.540 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.058 2.623 -6.433 1.00 0.00 C ATOM 0 H VAL A 23 3.934 2.813 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 23 1.031 3.326 -9.140 1.00 0.00 H new ATOM 0 HB VAL A 23 0.987 3.058 -6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.241 0.611 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.421 1.141 -8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.132 0.656 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.912 2.067 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.872 2.173 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.307 3.658 -6.199 1.00 0.00 H new ATOM 342 N LEU A 24 3.588 5.119 -8.199 1.00 0.00 N ATOM 343 CA LEU A 24 4.043 6.472 -7.900 1.00 0.00 C ATOM 344 C LEU A 24 5.105 6.923 -8.898 1.00 0.00 C ATOM 345 O LEU A 24 5.849 6.117 -9.457 1.00 0.00 O ATOM 346 CB LEU A 24 4.603 6.540 -6.478 1.00 0.00 C ATOM 347 CG LEU A 24 3.609 6.260 -5.351 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.335 6.103 -4.024 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.573 7.372 -5.265 1.00 0.00 C ATOM 0 H LEU A 24 4.339 4.448 -8.363 1.00 0.00 H new ATOM 0 HA LEU A 24 3.187 7.142 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.423 5.827 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.027 7.532 -6.323 1.00 0.00 H new ATOM 0 HG LEU A 24 3.093 5.325 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.611 5.904 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.037 5.272 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.878 7.020 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.874 7.156 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.073 8.320 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.030 7.437 -6.208 1.00 0.00 H new ATOM 361 N PRO A 25 5.179 8.242 -9.128 1.00 0.00 N ATOM 362 CA PRO A 25 6.148 8.831 -10.057 1.00 0.00 C ATOM 363 C PRO A 25 7.578 8.742 -9.537 1.00 0.00 C ATOM 364 O PRO A 25 7.807 8.434 -8.367 1.00 0.00 O ATOM 365 CB PRO A 25 5.704 10.293 -10.153 1.00 0.00 C ATOM 366 CG PRO A 25 4.988 10.556 -8.873 1.00 0.00 C ATOM 367 CD PRO A 25 4.323 9.261 -8.497 1.00 0.00 C ATOM 0 HA PRO A 25 6.161 8.311 -11.015 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.558 10.959 -10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.052 10.453 -11.012 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.682 10.878 -8.097 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.253 11.352 -8.993 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.276 9.133 -7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.299 9.212 -8.869 1.00 0.00 H new ATOM 375 N THR A 26 8.540 9.012 -10.414 1.00 0.00 N ATOM 376 CA THR A 26 9.948 8.962 -10.044 1.00 0.00 C ATOM 377 C THR A 26 10.338 10.169 -9.199 1.00 0.00 C ATOM 378 O THR A 26 11.228 10.085 -8.353 1.00 0.00 O ATOM 379 CB THR A 26 10.855 8.906 -11.288 1.00 0.00 C ATOM 380 OG1 THR A 26 10.692 10.098 -12.066 1.00 0.00 O ATOM 381 CG2 THR A 26 10.530 7.689 -12.141 1.00 0.00 C ATOM 0 H THR A 26 8.369 9.268 -11.386 1.00 0.00 H new ATOM 0 HA THR A 26 10.088 8.052 -9.460 1.00 0.00 H new ATOM 0 HB THR A 26 11.890 8.829 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.273 10.056 -12.854 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.183 7.671 -13.013 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.682 6.783 -11.555 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.491 7.740 -12.467 1.00 0.00 H new ATOM 389 N ASN A 27 9.666 11.291 -9.433 1.00 0.00 N ATOM 390 CA ASN A 27 9.943 12.517 -8.692 1.00 0.00 C ATOM 391 C ASN A 27 8.837 12.803 -7.681 1.00 0.00 C ATOM 392 O ASN A 27 8.620 13.950 -7.290 1.00 0.00 O ATOM 393 CB ASN A 27 10.088 13.697 -9.654 1.00 0.00 C ATOM 394 CG ASN A 27 11.270 13.538 -10.591 1.00 0.00 C ATOM 395 OD1 ASN A 27 11.099 13.363 -11.798 1.00 0.00 O ATOM 396 ND2 ASN A 27 12.476 13.597 -10.038 1.00 0.00 N ATOM 0 H ASN A 27 8.926 11.377 -10.130 1.00 0.00 H new ATOM 0 HA ASN A 27 10.879 12.381 -8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.175 13.799 -10.240 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.203 14.617 -9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.309 13.496 -10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.570 13.744 -9.033 1.00 0.00 H new ATOM 403 N HIS A 28 8.141 11.751 -7.260 1.00 0.00 N ATOM 404 CA HIS A 28 7.057 11.889 -6.293 1.00 0.00 C ATOM 405 C HIS A 28 7.518 12.675 -5.070 1.00 0.00 C ATOM 406 O HIS A 28 8.653 13.147 -5.015 1.00 0.00 O ATOM 407 CB HIS A 28 6.548 10.511 -5.867 1.00 0.00 C ATOM 408 CG HIS A 28 5.110 10.507 -5.449 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.026 11.099 -6.003 1.00 0.00 N flip ATOM 410 CD2 HIS A 28 4.652 9.837 -4.335 1.00 0.00 C flip ATOM 411 CE1 HIS A 28 2.943 10.777 -5.222 1.00 0.00 C flip ATOM 412 NE2 HIS A 28 3.347 10.015 -4.222 1.00 0.00 N flip ATOM 0 H HIS A 28 8.308 10.795 -7.573 1.00 0.00 H new ATOM 0 HA HIS A 28 6.244 12.437 -6.770 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.680 9.813 -6.694 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.159 10.146 -5.041 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.264 9.257 -3.660 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.926 11.095 -5.397 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.753 9.629 -3.488 1.00 0.00 H new ATOM 421 N ARG A 29 6.628 12.813 -4.092 1.00 0.00 N ATOM 422 CA ARG A 29 6.943 13.544 -2.870 1.00 0.00 C ATOM 423 C ARG A 29 7.574 12.621 -1.832 1.00 0.00 C ATOM 424 O ARG A 29 8.500 13.010 -1.121 1.00 0.00 O ATOM 425 CB ARG A 29 5.679 14.188 -2.296 1.00 0.00 C ATOM 426 CG ARG A 29 4.590 13.186 -1.949 1.00 0.00 C ATOM 427 CD ARG A 29 3.544 13.798 -1.030 1.00 0.00 C ATOM 428 NE ARG A 29 2.783 14.854 -1.692 1.00 0.00 N ATOM 429 CZ ARG A 29 1.779 14.622 -2.530 1.00 0.00 C ATOM 430 NH1 ARG A 29 1.417 13.377 -2.806 1.00 0.00 N ATOM 431 NH2 ARG A 29 1.136 15.636 -3.093 1.00 0.00 N ATOM 0 H ARG A 29 5.684 12.428 -4.122 1.00 0.00 H new ATOM 0 HA ARG A 29 7.660 14.326 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.942 14.751 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.286 14.904 -3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.112 12.835 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.035 12.315 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.862 13.019 -0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.033 14.204 -0.145 1.00 0.00 H new ATOM 0 HE ARG A 29 3.036 15.823 -1.500 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.910 12.595 -2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.646 13.201 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.412 16.595 -2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.365 15.457 -3.736 1.00 0.00 H new ATOM 445 N VAL A 30 7.064 11.396 -1.749 1.00 0.00 N ATOM 446 CA VAL A 30 7.578 10.417 -0.797 1.00 0.00 C ATOM 447 C VAL A 30 9.070 10.183 -1.002 1.00 0.00 C ATOM 448 O VAL A 30 9.764 9.703 -0.105 1.00 0.00 O ATOM 449 CB VAL A 30 6.836 9.073 -0.920 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.331 9.293 -0.944 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.294 8.324 -2.163 1.00 0.00 C ATOM 0 H VAL A 30 6.296 11.058 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 30 7.411 10.825 0.200 1.00 0.00 H new ATOM 0 HB VAL A 30 7.075 8.465 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.824 8.332 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.020 9.785 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.069 9.920 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.760 7.377 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.086 8.926 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.365 8.132 -2.098 1.00 0.00 H new ATOM 461 N THR A 31 9.560 10.524 -2.190 1.00 0.00 N ATOM 462 CA THR A 31 10.970 10.351 -2.513 1.00 0.00 C ATOM 463 C THR A 31 11.826 11.410 -1.828 1.00 0.00 C ATOM 464 O THR A 31 12.987 11.166 -1.499 1.00 0.00 O ATOM 465 CB THR A 31 11.210 10.418 -4.033 1.00 0.00 C ATOM 466 OG1 THR A 31 10.902 11.728 -4.521 1.00 0.00 O ATOM 467 CG2 THR A 31 10.361 9.387 -4.761 1.00 0.00 C ATOM 0 H THR A 31 9.000 10.922 -2.944 1.00 0.00 H new ATOM 0 HA THR A 31 11.258 9.365 -2.150 1.00 0.00 H new ATOM 0 HB THR A 31 12.261 10.199 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.930 11.846 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.548 9.453 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.620 8.388 -4.409 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.306 9.579 -4.564 1.00 0.00 H new ATOM 475 N TRP A 32 11.246 12.585 -1.615 1.00 0.00 N ATOM 476 CA TRP A 32 11.957 13.682 -0.968 1.00 0.00 C ATOM 477 C TRP A 32 12.407 13.286 0.434 1.00 0.00 C ATOM 478 O TRP A 32 11.701 12.570 1.144 1.00 0.00 O ATOM 479 CB TRP A 32 11.067 14.924 -0.900 1.00 0.00 C ATOM 480 CG TRP A 32 11.013 15.688 -2.188 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.537 15.240 -3.387 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.453 17.033 -2.406 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.655 16.225 -4.337 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.213 17.336 -3.760 1.00 0.00 C ATOM 485 CE3 TRP A 32 12.024 18.012 -1.588 1.00 0.00 C ATOM 486 CZ2 TRP A 32 11.525 18.575 -4.313 1.00 0.00 C ATOM 487 CZ3 TRP A 32 12.334 19.241 -2.138 1.00 0.00 C ATOM 488 CH2 TRP A 32 12.084 19.514 -3.489 1.00 0.00 C ATOM 0 H TRP A 32 10.286 12.803 -1.881 1.00 0.00 H new ATOM 0 HA TRP A 32 12.842 13.910 -1.563 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.057 14.623 -0.622 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.433 15.581 -0.111 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.128 14.256 -3.562 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.373 16.143 -5.314 1.00 0.00 H new ATOM 0 HE3 TRP A 32 12.219 17.811 -0.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.333 18.787 -5.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.777 20.004 -1.515 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.337 20.485 -3.888 1.00 0.00 H new ATOM 499 N ASP A 33 13.586 13.757 0.827 1.00 0.00 N ATOM 500 CA ASP A 33 14.129 13.453 2.146 1.00 0.00 C ATOM 501 C ASP A 33 13.233 14.014 3.245 1.00 0.00 C ATOM 502 O ASP A 33 13.093 13.414 4.311 1.00 0.00 O ATOM 503 CB ASP A 33 15.542 14.022 2.282 1.00 0.00 C ATOM 504 CG ASP A 33 16.099 13.862 3.683 1.00 0.00 C ATOM 505 OD1 ASP A 33 16.367 12.711 4.087 1.00 0.00 O ATOM 506 OD2 ASP A 33 16.266 14.888 4.375 1.00 0.00 O ATOM 0 H ASP A 33 14.183 14.350 0.251 1.00 0.00 H new ATOM 0 HA ASP A 33 14.170 12.369 2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 33 16.202 13.522 1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.532 15.079 2.017 1.00 0.00 H new ATOM 511 N SER A 34 12.630 15.168 2.979 1.00 0.00 N ATOM 512 CA SER A 34 11.752 15.813 3.948 1.00 0.00 C ATOM 513 C SER A 34 10.541 14.936 4.251 1.00 0.00 C ATOM 514 O SER A 34 10.025 14.935 5.368 1.00 0.00 O ATOM 515 CB SER A 34 11.292 17.175 3.424 1.00 0.00 C ATOM 516 OG SER A 34 10.530 17.866 4.399 1.00 0.00 O ATOM 0 H SER A 34 12.733 15.676 2.100 1.00 0.00 H new ATOM 0 HA SER A 34 12.314 15.958 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.160 17.773 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.696 17.039 2.522 1.00 0.00 H new ATOM 0 HG SER A 34 10.249 18.734 4.040 1.00 0.00 H new ATOM 522 N ALA A 35 10.092 14.191 3.246 1.00 0.00 N ATOM 523 CA ALA A 35 8.943 13.308 3.404 1.00 0.00 C ATOM 524 C ALA A 35 9.119 12.386 4.605 1.00 0.00 C ATOM 525 O ALA A 35 10.227 12.227 5.118 1.00 0.00 O ATOM 526 CB ALA A 35 8.726 12.492 2.138 1.00 0.00 C ATOM 0 H ALA A 35 10.506 14.181 2.314 1.00 0.00 H new ATOM 0 HA ALA A 35 8.063 13.927 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.865 11.837 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.546 13.164 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.612 11.890 1.937 1.00 0.00 H new ATOM 532 N GLN A 36 8.021 11.783 5.050 1.00 0.00 N ATOM 533 CA GLN A 36 8.056 10.879 6.193 1.00 0.00 C ATOM 534 C GLN A 36 6.997 9.790 6.058 1.00 0.00 C ATOM 535 O GLN A 36 6.041 9.930 5.294 1.00 0.00 O ATOM 536 CB GLN A 36 7.843 11.657 7.492 1.00 0.00 C ATOM 537 CG GLN A 36 8.956 12.645 7.800 1.00 0.00 C ATOM 538 CD GLN A 36 8.627 13.549 8.971 1.00 0.00 C ATOM 539 OE1 GLN A 36 7.697 14.354 8.907 1.00 0.00 O ATOM 540 NE2 GLN A 36 9.389 13.421 10.051 1.00 0.00 N ATOM 0 H GLN A 36 7.097 11.904 4.636 1.00 0.00 H new ATOM 0 HA GLN A 36 9.037 10.405 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.897 12.195 7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.756 10.951 8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.873 12.097 8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.149 13.255 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.149 12.741 10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.214 14.003 10.870 1.00 0.00 H new ATOM 549 N VAL A 37 7.173 8.704 6.805 1.00 0.00 N ATOM 550 CA VAL A 37 6.231 7.592 6.769 1.00 0.00 C ATOM 551 C VAL A 37 4.806 8.084 6.546 1.00 0.00 C ATOM 552 O VAL A 37 4.025 7.455 5.832 1.00 0.00 O ATOM 553 CB VAL A 37 6.282 6.772 8.072 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.530 5.904 8.110 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.226 7.693 9.282 1.00 0.00 C ATOM 0 H VAL A 37 7.959 8.571 7.442 1.00 0.00 H new ATOM 0 HA VAL A 37 6.526 6.955 5.935 1.00 0.00 H new ATOM 0 HB VAL A 37 5.412 6.116 8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.548 5.333 9.038 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.523 5.219 7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.415 6.537 8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.263 7.098 10.194 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.076 8.376 9.259 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.299 8.266 9.260 1.00 0.00 H new ATOM 565 N PHE A 38 4.474 9.214 7.161 1.00 0.00 N ATOM 566 CA PHE A 38 3.141 9.792 7.030 1.00 0.00 C ATOM 567 C PHE A 38 2.837 10.133 5.574 1.00 0.00 C ATOM 568 O PHE A 38 1.854 9.656 5.007 1.00 0.00 O ATOM 569 CB PHE A 38 3.020 11.048 7.896 1.00 0.00 C ATOM 570 CG PHE A 38 1.627 11.296 8.401 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.526 10.937 7.640 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.419 11.887 9.637 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.756 11.165 8.103 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.139 12.116 10.105 1.00 0.00 C ATOM 575 CZ PHE A 38 -0.950 11.754 9.337 1.00 0.00 C ATOM 0 H PHE A 38 5.109 9.748 7.755 1.00 0.00 H new ATOM 0 HA PHE A 38 2.416 9.053 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.696 10.960 8.747 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.347 11.912 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.671 10.474 6.675 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.267 12.172 10.242 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.606 10.883 7.500 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.009 12.577 11.070 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.951 11.931 9.701 1.00 0.00 H new ATOM 585 N ASP A 39 3.686 10.961 4.977 1.00 0.00 N ATOM 586 CA ASP A 39 3.509 11.366 3.587 1.00 0.00 C ATOM 587 C ASP A 39 3.058 10.187 2.731 1.00 0.00 C ATOM 588 O ASP A 39 2.007 10.237 2.090 1.00 0.00 O ATOM 589 CB ASP A 39 4.812 11.946 3.033 1.00 0.00 C ATOM 590 CG ASP A 39 5.200 13.246 3.708 1.00 0.00 C ATOM 591 OD1 ASP A 39 5.163 13.301 4.955 1.00 0.00 O ATOM 592 OD2 ASP A 39 5.540 14.210 2.990 1.00 0.00 O ATOM 0 H ASP A 39 4.504 11.365 5.433 1.00 0.00 H new ATOM 0 HA ASP A 39 2.735 12.133 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.614 11.219 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.705 12.114 1.961 1.00 0.00 H new ATOM 597 N LEU A 40 3.859 9.127 2.723 1.00 0.00 N ATOM 598 CA LEU A 40 3.543 7.935 1.944 1.00 0.00 C ATOM 599 C LEU A 40 2.308 7.233 2.500 1.00 0.00 C ATOM 600 O LEU A 40 1.600 6.535 1.776 1.00 0.00 O ATOM 601 CB LEU A 40 4.733 6.973 1.941 1.00 0.00 C ATOM 602 CG LEU A 40 4.466 5.577 1.377 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.187 5.649 -0.117 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.643 4.655 1.658 1.00 0.00 C ATOM 0 H LEU A 40 4.732 9.069 3.247 1.00 0.00 H new ATOM 0 HA LEU A 40 3.332 8.245 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.540 7.427 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.091 6.867 2.965 1.00 0.00 H new ATOM 0 HG LEU A 40 3.584 5.169 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.999 4.646 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.312 6.275 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.049 6.078 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.436 3.666 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.541 5.059 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.796 4.578 2.734 1.00 0.00 H new ATOM 616 N ALA A 41 2.057 7.424 3.791 1.00 0.00 N ATOM 617 CA ALA A 41 0.905 6.813 4.444 1.00 0.00 C ATOM 618 C ALA A 41 -0.379 7.563 4.107 1.00 0.00 C ATOM 619 O ALA A 41 -1.473 7.005 4.189 1.00 0.00 O ATOM 620 CB ALA A 41 1.114 6.769 5.950 1.00 0.00 C ATOM 0 H ALA A 41 2.636 7.997 4.405 1.00 0.00 H new ATOM 0 HA ALA A 41 0.806 5.793 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.246 6.311 6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.004 6.182 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.242 7.783 6.329 1.00 0.00 H new ATOM 626 N GLN A 42 -0.237 8.829 3.730 1.00 0.00 N ATOM 627 CA GLN A 42 -1.388 9.655 3.382 1.00 0.00 C ATOM 628 C GLN A 42 -1.897 9.320 1.984 1.00 0.00 C ATOM 629 O GLN A 42 -3.067 8.982 1.802 1.00 0.00 O ATOM 630 CB GLN A 42 -1.020 11.138 3.462 1.00 0.00 C ATOM 631 CG GLN A 42 -0.548 11.575 4.839 1.00 0.00 C ATOM 632 CD GLN A 42 -0.873 13.026 5.135 1.00 0.00 C ATOM 633 OE1 GLN A 42 -1.974 13.497 4.852 1.00 0.00 O ATOM 634 NE2 GLN A 42 0.088 13.743 5.706 1.00 0.00 N ATOM 0 H GLN A 42 0.662 9.305 3.658 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.183 9.445 4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.236 11.349 2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.887 11.735 3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.011 10.941 5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.529 11.425 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.986 13.311 5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.072 14.726 5.927 1.00 0.00 H new ATOM 643 N THR A 43 -1.010 9.415 0.998 1.00 0.00 N ATOM 644 CA THR A 43 -1.370 9.124 -0.384 1.00 0.00 C ATOM 645 C THR A 43 -2.158 7.823 -0.484 1.00 0.00 C ATOM 646 O THR A 43 -2.915 7.615 -1.434 1.00 0.00 O ATOM 647 CB THR A 43 -0.121 9.024 -1.280 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.494 9.149 -2.657 1.00 0.00 O ATOM 649 CG2 THR A 43 0.597 7.700 -1.063 1.00 0.00 C ATOM 0 H THR A 43 -0.037 9.691 1.131 1.00 0.00 H new ATOM 0 HA THR A 43 -1.992 9.950 -0.730 1.00 0.00 H new ATOM 0 HB THR A 43 0.556 9.835 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.306 9.086 -3.220 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.475 7.653 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.906 7.620 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.075 6.877 -1.306 1.00 0.00 H new ATOM 657 N LEU A 44 -1.978 6.950 0.501 1.00 0.00 N ATOM 658 CA LEU A 44 -2.675 5.669 0.524 1.00 0.00 C ATOM 659 C LEU A 44 -3.849 5.704 1.498 1.00 0.00 C ATOM 660 O LEU A 44 -4.875 5.063 1.272 1.00 0.00 O ATOM 661 CB LEU A 44 -1.709 4.548 0.913 1.00 0.00 C ATOM 662 CG LEU A 44 -0.380 4.516 0.158 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.556 3.484 0.769 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.611 4.221 -1.317 1.00 0.00 C ATOM 0 H LEU A 44 -1.356 7.106 1.294 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.063 5.477 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.497 4.632 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.213 3.593 0.763 1.00 0.00 H new ATOM 0 HG LEU A 44 0.088 5.497 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.497 3.475 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.748 3.739 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.095 2.498 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.346 4.202 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.101 3.253 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.244 4.996 -1.748 1.00 0.00 H new ATOM 676 N ARG A 45 -3.691 6.460 2.580 1.00 0.00 N ATOM 677 CA ARG A 45 -4.738 6.580 3.587 1.00 0.00 C ATOM 678 C ARG A 45 -6.117 6.616 2.935 1.00 0.00 C ATOM 679 O ARG A 45 -7.058 5.982 3.414 1.00 0.00 O ATOM 680 CB ARG A 45 -4.526 7.841 4.426 1.00 0.00 C ATOM 681 CG ARG A 45 -5.596 8.057 5.483 1.00 0.00 C ATOM 682 CD ARG A 45 -5.810 9.536 5.766 1.00 0.00 C ATOM 683 NE ARG A 45 -7.145 9.805 6.292 1.00 0.00 N ATOM 684 CZ ARG A 45 -7.591 11.024 6.577 1.00 0.00 C ATOM 685 NH1 ARG A 45 -6.812 12.080 6.386 1.00 0.00 N ATOM 686 NH2 ARG A 45 -8.818 11.188 7.053 1.00 0.00 N ATOM 0 H ARG A 45 -2.848 6.998 2.781 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.685 5.706 4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.553 7.783 4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.501 8.707 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.533 7.610 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.308 7.547 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.063 9.880 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.660 10.106 4.849 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.770 9.014 6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.868 11.958 6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.157 13.015 6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.420 10.378 7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.159 12.124 7.271 1.00 0.00 H new ATOM 700 N ASP A 46 -6.230 7.362 1.842 1.00 0.00 N ATOM 701 CA ASP A 46 -7.494 7.481 1.124 1.00 0.00 C ATOM 702 C ASP A 46 -8.007 6.109 0.697 1.00 0.00 C ATOM 703 O ASP A 46 -9.188 5.800 0.851 1.00 0.00 O ATOM 704 CB ASP A 46 -7.327 8.381 -0.100 1.00 0.00 C ATOM 705 CG ASP A 46 -6.029 8.120 -0.838 1.00 0.00 C ATOM 706 OD1 ASP A 46 -4.982 8.636 -0.396 1.00 0.00 O ATOM 707 OD2 ASP A 46 -6.061 7.401 -1.859 1.00 0.00 O ATOM 0 H ASP A 46 -5.461 7.894 1.433 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.225 7.929 1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.165 8.225 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.360 9.425 0.213 1.00 0.00 H new ATOM 712 N GLY A 47 -7.110 5.289 0.157 1.00 0.00 N ATOM 713 CA GLY A 47 -7.491 3.961 -0.286 1.00 0.00 C ATOM 714 C GLY A 47 -7.842 3.920 -1.760 1.00 0.00 C ATOM 715 O GLY A 47 -8.685 3.129 -2.183 1.00 0.00 O ATOM 0 H GLY A 47 -6.126 5.521 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.673 3.268 -0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.345 3.618 0.297 1.00 0.00 H new ATOM 719 N VAL A 48 -7.196 4.776 -2.545 1.00 0.00 N ATOM 720 CA VAL A 48 -7.445 4.835 -3.981 1.00 0.00 C ATOM 721 C VAL A 48 -6.278 4.249 -4.766 1.00 0.00 C ATOM 722 O VAL A 48 -6.470 3.608 -5.800 1.00 0.00 O ATOM 723 CB VAL A 48 -7.689 6.282 -4.449 1.00 0.00 C ATOM 724 CG1 VAL A 48 -7.951 6.322 -5.947 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.846 6.903 -3.680 1.00 0.00 C ATOM 0 H VAL A 48 -6.496 5.438 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.340 4.243 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.792 6.867 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.121 7.352 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.088 5.920 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.832 5.723 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.004 7.925 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.751 6.319 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.613 6.910 -2.615 1.00 0.00 H new ATOM 735 N LEU A 49 -5.066 4.470 -4.268 1.00 0.00 N ATOM 736 CA LEU A 49 -3.865 3.963 -4.923 1.00 0.00 C ATOM 737 C LEU A 49 -3.663 2.482 -4.617 1.00 0.00 C ATOM 738 O LEU A 49 -3.419 1.679 -5.518 1.00 0.00 O ATOM 739 CB LEU A 49 -2.640 4.760 -4.473 1.00 0.00 C ATOM 740 CG LEU A 49 -1.320 4.405 -5.158 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.447 4.546 -6.667 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.193 5.282 -4.632 1.00 0.00 C ATOM 0 H LEU A 49 -4.889 4.997 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.991 4.079 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.839 5.819 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.517 4.623 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.082 3.366 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.498 4.289 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.226 3.875 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.709 5.574 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.739 5.015 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.424 6.329 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.086 5.131 -3.558 1.00 0.00 H new ATOM 754 N LEU A 50 -3.769 2.127 -3.341 1.00 0.00 N ATOM 755 CA LEU A 50 -3.600 0.741 -2.917 1.00 0.00 C ATOM 756 C LEU A 50 -4.206 -0.218 -3.936 1.00 0.00 C ATOM 757 O LEU A 50 -3.513 -1.079 -4.481 1.00 0.00 O ATOM 758 CB LEU A 50 -4.247 0.525 -1.547 1.00 0.00 C ATOM 759 CG LEU A 50 -3.346 0.762 -0.335 1.00 0.00 C ATOM 760 CD1 LEU A 50 -4.178 0.873 0.934 1.00 0.00 C ATOM 761 CD2 LEU A 50 -2.320 -0.355 -0.206 1.00 0.00 C ATOM 0 H LEU A 50 -3.971 2.779 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.532 0.536 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.111 1.185 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.622 -0.497 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.814 1.702 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.520 1.042 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.873 1.707 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.737 -0.050 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.687 -0.170 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.834 -1.309 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.703 -0.388 -1.104 1.00 0.00 H new ATOM 773 N CYS A 51 -5.500 -0.063 -4.189 1.00 0.00 N ATOM 774 CA CYS A 51 -6.200 -0.916 -5.145 1.00 0.00 C ATOM 775 C CYS A 51 -5.435 -0.997 -6.462 1.00 0.00 C ATOM 776 O CYS A 51 -5.308 -2.071 -7.051 1.00 0.00 O ATOM 777 CB CYS A 51 -7.613 -0.386 -5.393 1.00 0.00 C ATOM 778 SG CYS A 51 -8.758 -0.668 -4.023 1.00 0.00 S ATOM 0 H CYS A 51 -6.087 0.645 -3.746 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.265 -1.918 -4.722 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.558 0.684 -5.592 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.014 -0.857 -6.290 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.298 0.460 -3.670 1.00 0.00 H new ATOM 784 N GLN A 52 -4.929 0.144 -6.918 1.00 0.00 N ATOM 785 CA GLN A 52 -4.179 0.201 -8.167 1.00 0.00 C ATOM 786 C GLN A 52 -2.993 -0.757 -8.134 1.00 0.00 C ATOM 787 O GLN A 52 -2.816 -1.575 -9.039 1.00 0.00 O ATOM 788 CB GLN A 52 -3.691 1.627 -8.429 1.00 0.00 C ATOM 789 CG GLN A 52 -4.804 2.661 -8.425 1.00 0.00 C ATOM 790 CD GLN A 52 -4.496 3.854 -9.309 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.465 4.508 -9.151 1.00 0.00 O ATOM 792 NE2 GLN A 52 -5.390 4.143 -10.247 1.00 0.00 N ATOM 0 H GLN A 52 -5.025 1.041 -6.442 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.845 -0.102 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.955 1.895 -7.671 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.182 1.657 -9.393 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.730 2.194 -8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.972 3.004 -7.404 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.231 3.574 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.236 4.934 -10.872 1.00 0.00 H new ATOM 801 N LEU A 53 -2.182 -0.652 -7.087 1.00 0.00 N ATOM 802 CA LEU A 53 -1.012 -1.509 -6.936 1.00 0.00 C ATOM 803 C LEU A 53 -1.281 -2.902 -7.495 1.00 0.00 C ATOM 804 O LEU A 53 -0.678 -3.312 -8.488 1.00 0.00 O ATOM 805 CB LEU A 53 -0.613 -1.606 -5.462 1.00 0.00 C ATOM 806 CG LEU A 53 0.496 -2.606 -5.132 1.00 0.00 C ATOM 807 CD1 LEU A 53 1.808 -2.178 -5.771 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.655 -2.746 -3.625 1.00 0.00 C ATOM 0 H LEU A 53 -2.314 0.019 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.192 -1.064 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.296 -0.619 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.498 -1.871 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 53 0.217 -3.577 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.585 -2.901 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.687 -2.129 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.094 -1.196 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.448 -3.461 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.911 -1.778 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.281 -3.099 -3.192 1.00 0.00 H new ATOM 820 N LEU A 54 -2.192 -3.625 -6.853 1.00 0.00 N ATOM 821 CA LEU A 54 -2.544 -4.973 -7.287 1.00 0.00 C ATOM 822 C LEU A 54 -2.928 -4.986 -8.763 1.00 0.00 C ATOM 823 O LEU A 54 -2.545 -5.890 -9.506 1.00 0.00 O ATOM 824 CB LEU A 54 -3.699 -5.516 -6.444 1.00 0.00 C ATOM 825 CG LEU A 54 -3.527 -5.416 -4.927 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.726 -6.022 -4.213 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.241 -6.101 -4.490 1.00 0.00 C ATOM 0 H LEU A 54 -2.700 -3.301 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.671 -5.612 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.608 -4.983 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.851 -6.563 -6.704 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.463 -4.362 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.586 -5.942 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.630 -5.487 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.822 -7.072 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.135 -6.020 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.275 -7.153 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.391 -5.622 -4.975 1.00 0.00 H new ATOM 839 N ASN A 55 -3.685 -3.977 -9.182 1.00 0.00 N ATOM 840 CA ASN A 55 -4.119 -3.872 -10.571 1.00 0.00 C ATOM 841 C ASN A 55 -2.921 -3.743 -11.507 1.00 0.00 C ATOM 842 O ASN A 55 -2.984 -4.138 -12.670 1.00 0.00 O ATOM 843 CB ASN A 55 -5.050 -2.671 -10.746 1.00 0.00 C ATOM 844 CG ASN A 55 -6.286 -2.765 -9.873 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.565 -3.809 -9.283 1.00 0.00 O ATOM 846 ND2 ASN A 55 -7.035 -1.672 -9.787 1.00 0.00 N ATOM 0 H ASN A 55 -4.011 -3.221 -8.580 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.660 -4.783 -10.827 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.508 -1.756 -10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.351 -2.598 -11.791 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.879 -1.676 -9.215 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.766 -0.828 -10.293 1.00 0.00 H new ATOM 853 N ASN A 56 -1.831 -3.186 -10.990 1.00 0.00 N ATOM 854 CA ASN A 56 -0.618 -3.004 -11.779 1.00 0.00 C ATOM 855 C ASN A 56 0.131 -4.323 -11.937 1.00 0.00 C ATOM 856 O ASN A 56 0.611 -4.651 -13.023 1.00 0.00 O ATOM 857 CB ASN A 56 0.292 -1.963 -11.122 1.00 0.00 C ATOM 858 CG ASN A 56 0.004 -0.555 -11.607 1.00 0.00 C ATOM 859 OD1 ASN A 56 -0.250 0.352 -10.671 1.00 0.00 O flip ATOM 860 ND2 ASN A 56 0.011 -0.287 -12.808 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.763 -2.853 -10.028 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.908 -2.650 -12.768 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.165 -2.005 -10.040 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.333 -2.211 -11.331 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.211 -1.016 -13.492 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.184 0.665 -13.119 1.00 0.00 H new ATOM 867 N LEU A 57 0.228 -5.076 -10.847 1.00 0.00 N ATOM 868 CA LEU A 57 0.919 -6.361 -10.864 1.00 0.00 C ATOM 869 C LEU A 57 0.122 -7.397 -11.651 1.00 0.00 C ATOM 870 O LEU A 57 0.635 -8.007 -12.590 1.00 0.00 O ATOM 871 CB LEU A 57 1.150 -6.857 -9.436 1.00 0.00 C ATOM 872 CG LEU A 57 1.712 -5.830 -8.452 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.840 -6.436 -7.063 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.058 -5.309 -8.934 1.00 0.00 C ATOM 0 H LEU A 57 -0.163 -4.819 -9.940 1.00 0.00 H new ATOM 0 HA LEU A 57 1.883 -6.221 -11.354 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.203 -7.226 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.832 -7.706 -9.473 1.00 0.00 H new ATOM 0 HG LEU A 57 1.019 -4.991 -8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.241 -5.691 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.859 -6.759 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.512 -7.294 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.442 -4.579 -8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.760 -6.138 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.937 -4.835 -9.908 1.00 0.00 H new ATOM 886 N ARG A 58 -1.134 -7.589 -11.263 1.00 0.00 N ATOM 887 CA ARG A 58 -2.002 -8.550 -11.933 1.00 0.00 C ATOM 888 C ARG A 58 -3.190 -7.848 -12.584 1.00 0.00 C ATOM 889 O ARG A 58 -3.569 -6.748 -12.185 1.00 0.00 O ATOM 890 CB ARG A 58 -2.500 -9.600 -10.938 1.00 0.00 C ATOM 891 CG ARG A 58 -2.893 -10.917 -11.587 1.00 0.00 C ATOM 892 CD ARG A 58 -3.603 -11.833 -10.603 1.00 0.00 C ATOM 893 NE ARG A 58 -3.951 -13.118 -11.205 1.00 0.00 N ATOM 894 CZ ARG A 58 -5.043 -13.316 -11.935 1.00 0.00 C ATOM 895 NH1 ARG A 58 -5.889 -12.318 -12.154 1.00 0.00 N ATOM 896 NH2 ARG A 58 -5.291 -14.513 -12.450 1.00 0.00 N ATOM 0 H ARG A 58 -1.574 -7.092 -10.488 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.422 -9.044 -12.712 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.720 -9.787 -10.200 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.359 -9.199 -10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.543 -10.724 -12.440 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.003 -11.414 -11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.963 -12.000 -9.737 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.508 -11.345 -10.242 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.321 -13.906 -11.057 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.702 -11.395 -11.761 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.727 -12.473 -12.715 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.643 -15.283 -12.286 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.130 -14.663 -13.010 1.00 0.00 H new ATOM 910 N ALA A 59 -3.774 -8.493 -13.589 1.00 0.00 N ATOM 911 CA ALA A 59 -4.919 -7.932 -14.295 1.00 0.00 C ATOM 912 C ALA A 59 -6.230 -8.387 -13.663 1.00 0.00 C ATOM 913 O ALA A 59 -6.330 -9.503 -13.152 1.00 0.00 O ATOM 914 CB ALA A 59 -4.876 -8.321 -15.765 1.00 0.00 C ATOM 0 H ALA A 59 -3.473 -9.405 -13.932 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.866 -6.846 -14.217 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.737 -7.895 -16.279 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.959 -7.940 -16.215 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.900 -9.407 -15.855 1.00 0.00 H new ATOM 920 N HIS A 60 -7.233 -7.516 -13.700 1.00 0.00 N ATOM 921 CA HIS A 60 -8.539 -7.829 -13.131 1.00 0.00 C ATOM 922 C HIS A 60 -8.433 -8.068 -11.628 1.00 0.00 C ATOM 923 O HIS A 60 -9.212 -8.829 -11.054 1.00 0.00 O ATOM 924 CB HIS A 60 -9.135 -9.060 -13.814 1.00 0.00 C ATOM 925 CG HIS A 60 -9.582 -8.806 -15.221 1.00 0.00 C ATOM 926 ND1 HIS A 60 -10.824 -8.295 -15.536 1.00 0.00 N ATOM 927 CD2 HIS A 60 -8.945 -8.995 -16.400 1.00 0.00 C ATOM 928 CE1 HIS A 60 -10.931 -8.181 -16.847 1.00 0.00 C ATOM 929 NE2 HIS A 60 -9.804 -8.599 -17.395 1.00 0.00 N ATOM 0 H HIS A 60 -7.167 -6.588 -14.118 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.196 -6.976 -13.300 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.394 -9.859 -13.816 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.984 -9.414 -13.230 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.947 -9.385 -16.533 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.793 -7.809 -17.381 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.604 -8.624 -18.395 1.00 0.00 H new ATOM 938 N SER A 61 -7.463 -7.415 -10.996 1.00 0.00 N ATOM 939 CA SER A 61 -7.252 -7.560 -9.561 1.00 0.00 C ATOM 940 C SER A 61 -8.307 -6.787 -8.775 1.00 0.00 C ATOM 941 O SER A 61 -8.856 -7.287 -7.794 1.00 0.00 O ATOM 942 CB SER A 61 -5.854 -7.072 -9.177 1.00 0.00 C ATOM 943 OG SER A 61 -4.876 -7.565 -10.077 1.00 0.00 O ATOM 0 H SER A 61 -6.811 -6.780 -11.456 1.00 0.00 H new ATOM 0 HA SER A 61 -7.341 -8.617 -9.311 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.834 -5.982 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.617 -7.397 -8.164 1.00 0.00 H new ATOM 0 HG SER A 61 -4.709 -6.899 -10.776 1.00 0.00 H new ATOM 949 N ILE A 62 -8.584 -5.564 -9.215 1.00 0.00 N ATOM 950 CA ILE A 62 -9.573 -4.721 -8.555 1.00 0.00 C ATOM 951 C ILE A 62 -10.259 -3.794 -9.552 1.00 0.00 C ATOM 952 O ILE A 62 -9.607 -2.995 -10.222 1.00 0.00 O ATOM 953 CB ILE A 62 -8.935 -3.873 -7.438 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.256 -4.777 -6.407 1.00 0.00 C ATOM 955 CG2 ILE A 62 -9.985 -2.997 -6.773 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.602 -4.016 -5.274 1.00 0.00 C ATOM 0 H ILE A 62 -8.137 -5.135 -10.026 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.313 -5.389 -8.115 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.178 -3.226 -7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.996 -5.463 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.503 -5.385 -6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.519 -2.404 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.427 -2.332 -7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.763 -3.626 -6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.141 -4.720 -4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.839 -3.350 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.355 -3.429 -4.747 1.00 0.00 H new ATOM 968 N ASN A 63 -11.580 -3.907 -9.644 1.00 0.00 N ATOM 969 CA ASN A 63 -12.356 -3.077 -10.559 1.00 0.00 C ATOM 970 C ASN A 63 -12.441 -1.641 -10.052 1.00 0.00 C ATOM 971 O ASN A 63 -13.112 -1.361 -9.058 1.00 0.00 O ATOM 972 CB ASN A 63 -13.763 -3.653 -10.734 1.00 0.00 C ATOM 973 CG ASN A 63 -14.502 -3.029 -11.902 1.00 0.00 C ATOM 974 OD1 ASN A 63 -13.943 -2.223 -12.645 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.766 -3.400 -12.068 1.00 0.00 N ATOM 0 H ASN A 63 -12.135 -4.565 -9.097 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.850 -3.073 -11.524 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.695 -4.730 -10.884 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.334 -3.494 -9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.314 -3.013 -12.836 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.189 -4.072 -11.427 1.00 0.00 H new ATOM 982 N LEU A 64 -11.759 -0.735 -10.743 1.00 0.00 N ATOM 983 CA LEU A 64 -11.757 0.674 -10.364 1.00 0.00 C ATOM 984 C LEU A 64 -13.175 1.167 -10.093 1.00 0.00 C ATOM 985 O LEU A 64 -13.403 1.968 -9.186 1.00 0.00 O ATOM 986 CB LEU A 64 -11.113 1.518 -11.465 1.00 0.00 C ATOM 987 CG LEU A 64 -9.657 1.191 -11.797 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.216 1.931 -13.050 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.752 1.537 -10.624 1.00 0.00 C ATOM 0 H LEU A 64 -11.200 -0.950 -11.569 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.175 0.778 -9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.705 1.407 -12.373 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.171 2.566 -11.172 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.579 0.120 -11.986 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.177 1.686 -13.271 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.845 1.633 -13.889 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.309 3.005 -12.890 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.719 1.298 -10.878 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.834 2.601 -10.403 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.053 0.960 -9.749 1.00 0.00 H new ATOM 1001 N LYS A 65 -14.126 0.681 -10.884 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.523 1.068 -10.728 1.00 0.00 C ATOM 1003 C LYS A 65 -16.066 0.614 -9.377 1.00 0.00 C ATOM 1004 O LYS A 65 -16.926 1.271 -8.792 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.367 0.471 -11.857 1.00 0.00 C ATOM 1006 CG LYS A 65 -15.902 0.877 -13.244 1.00 0.00 C ATOM 1007 CD LYS A 65 -16.250 2.325 -13.548 1.00 0.00 C ATOM 1008 CE LYS A 65 -17.697 2.469 -13.992 1.00 0.00 C ATOM 1009 NZ LYS A 65 -17.917 1.913 -15.356 1.00 0.00 N ATOM 0 H LYS A 65 -13.954 0.018 -11.640 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.581 2.155 -10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.345 -0.616 -11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.404 0.779 -11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.824 0.737 -13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.363 0.227 -13.988 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.078 2.935 -12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.590 2.703 -14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -18.347 1.958 -13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.978 3.522 -13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.814 2.276 -15.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.134 2.200 -15.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.957 0.875 -15.306 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.558 -0.514 -8.889 1.00 0.00 N ATOM 1024 CA GLU A 66 -15.994 -1.054 -7.607 1.00 0.00 C ATOM 1025 C GLU A 66 -15.537 -0.161 -6.457 1.00 0.00 C ATOM 1026 O GLU A 66 -16.146 -0.150 -5.386 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.449 -2.471 -7.414 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.151 -3.515 -8.266 1.00 0.00 C ATOM 1029 CD GLU A 66 -17.414 -4.044 -7.617 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -18.032 -3.300 -6.826 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -17.786 -5.203 -7.898 1.00 0.00 O ATOM 0 H GLU A 66 -14.845 -1.070 -9.361 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.083 -1.088 -7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.385 -2.477 -7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.544 -2.748 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.399 -3.081 -9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.469 -4.344 -8.454 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.462 0.585 -6.686 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.924 1.482 -5.670 1.00 0.00 C ATOM 1040 C ILE A 67 -14.302 2.930 -5.960 1.00 0.00 C ATOM 1041 O ILE A 67 -14.298 3.365 -7.111 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.391 1.371 -5.576 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.761 1.530 -6.962 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.993 0.040 -4.957 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.251 1.619 -6.932 1.00 0.00 C ATOM 0 H ILE A 67 -13.946 0.586 -7.566 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.360 1.179 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 67 -12.022 2.172 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.055 0.685 -7.585 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -12.161 2.428 -7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.906 -0.023 -4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.416 -0.037 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.371 -0.776 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.873 1.730 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.949 2.480 -6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.842 0.711 -6.490 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.625 3.674 -4.907 1.00 0.00 N ATOM 1058 CA ASN A 68 -15.004 5.075 -5.048 1.00 0.00 C ATOM 1059 C ASN A 68 -13.774 5.953 -5.258 1.00 0.00 C ATOM 1060 O ASN A 68 -13.039 6.248 -4.315 1.00 0.00 O ATOM 1061 CB ASN A 68 -15.773 5.544 -3.812 1.00 0.00 C ATOM 1062 CG ASN A 68 -16.847 4.560 -3.391 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -16.747 4.065 -2.162 1.00 0.00 O flip ATOM 1064 ND2 ASN A 68 -17.755 4.247 -4.161 1.00 0.00 N flip ATOM 0 H ASN A 68 -14.632 3.330 -3.947 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.647 5.165 -5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.075 5.691 -2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.231 6.511 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.793 4.652 -5.096 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.470 3.583 -3.864 1.00 0.00 H new ATOM 1173 N GLN A 75 -14.335 9.604 5.046 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.276 8.498 5.995 1.00 0.00 C ATOM 1175 C GLN A 75 -15.102 7.314 5.504 1.00 0.00 C ATOM 1176 O GLN A 75 -14.643 6.172 5.525 1.00 0.00 O ATOM 1177 CB GLN A 75 -14.776 8.950 7.368 1.00 0.00 C ATOM 1178 CG GLN A 75 -14.890 7.818 8.377 1.00 0.00 C ATOM 1179 CD GLN A 75 -15.859 8.133 9.500 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -16.819 8.882 9.315 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -15.613 7.560 10.672 1.00 0.00 N ATOM 0 HA GLN A 75 -13.237 8.181 6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.099 9.709 7.760 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -15.751 9.423 7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.215 6.912 7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.906 7.611 8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.806 6.946 10.780 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.231 7.734 11.464 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.324 7.594 5.063 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.216 6.552 4.568 1.00 0.00 C ATOM 1192 C PHE A 76 -16.584 5.808 3.395 1.00 0.00 C ATOM 1193 O PHE A 76 -16.448 4.584 3.422 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.555 7.157 4.142 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.716 6.217 4.302 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -19.732 4.997 3.645 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -20.791 6.554 5.108 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -20.798 4.130 3.790 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -21.859 5.690 5.258 1.00 0.00 C ATOM 1200 CZ PHE A 76 -21.864 4.477 4.597 1.00 0.00 C ATOM 0 H PHE A 76 -16.719 8.534 5.038 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.388 5.841 5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -18.742 8.056 4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -18.489 7.466 3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -18.902 4.721 3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -20.794 7.502 5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -20.798 3.182 3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -22.690 5.963 5.892 1.00 0.00 H new ATOM 0 HZ PHE A 76 -22.699 3.802 4.711 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.201 6.556 2.366 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.584 5.969 1.181 1.00 0.00 C ATOM 1212 C LEU A 77 -14.233 5.349 1.522 1.00 0.00 C ATOM 1213 O LEU A 77 -14.027 4.148 1.343 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.412 7.030 0.093 1.00 0.00 C ATOM 1215 CG LEU A 77 -16.664 7.831 -0.268 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -16.370 8.799 -1.403 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -17.805 6.897 -0.644 1.00 0.00 C ATOM 0 H LEU A 77 -16.307 7.570 2.328 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.241 5.182 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.638 7.728 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.046 6.540 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.966 8.409 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.273 9.360 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.584 9.490 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.042 8.242 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.687 7.484 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.512 6.292 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.034 6.244 0.199 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.317 6.175 2.015 1.00 0.00 N ATOM 1230 CA CYS A 78 -11.985 5.708 2.382 1.00 0.00 C ATOM 1231 C CYS A 78 -12.055 4.345 3.062 1.00 0.00 C ATOM 1232 O CYS A 78 -11.506 3.361 2.563 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.304 6.719 3.307 1.00 0.00 C ATOM 1234 SG CYS A 78 -11.092 8.360 2.578 1.00 0.00 S ATOM 0 H CYS A 78 -13.472 7.171 2.170 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.397 5.609 1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -11.891 6.812 4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.326 6.332 3.594 1.00 0.00 H new ATOM 0 HG CYS A 78 -10.510 9.144 3.436 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.731 4.294 4.204 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.872 3.051 4.955 1.00 0.00 C ATOM 1242 C LEU A 79 -13.308 1.910 4.042 1.00 0.00 C ATOM 1243 O LEU A 79 -12.691 0.845 4.023 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.885 3.228 6.088 1.00 0.00 C ATOM 1245 CG LEU A 79 -13.333 3.789 7.399 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.468 4.138 8.349 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -12.381 2.793 8.046 1.00 0.00 C ATOM 0 H LEU A 79 -13.190 5.099 4.631 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.900 2.801 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.679 3.888 5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.343 2.260 6.294 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.778 4.701 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.057 4.536 9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.112 4.887 7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -15.050 3.242 8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.998 3.209 8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.912 1.864 8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.550 2.592 7.370 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.375 2.140 3.284 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.893 1.133 2.365 1.00 0.00 C ATOM 1261 C LYS A 80 -13.809 0.670 1.398 1.00 0.00 C ATOM 1262 O LYS A 80 -13.454 -0.508 1.366 1.00 0.00 O ATOM 1263 CB LYS A 80 -16.084 1.692 1.583 1.00 0.00 C ATOM 1264 CG LYS A 80 -17.073 0.628 1.138 1.00 0.00 C ATOM 1265 CD LYS A 80 -16.586 -0.102 -0.102 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.800 0.729 -1.358 1.00 0.00 C ATOM 1267 NZ LYS A 80 -15.814 0.390 -2.422 1.00 0.00 N ATOM 0 H LYS A 80 -14.898 3.016 3.288 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.221 0.275 2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.604 2.423 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.715 2.223 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.227 -0.088 1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -18.039 1.090 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.527 -0.336 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.114 -1.051 -0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.810 0.566 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.719 1.788 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.100 1.144 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.347 -0.510 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.305 0.299 -3.334 1.00 0.00 H new ATOM 1281 N ASN A 81 -13.284 1.605 0.612 1.00 0.00 N ATOM 1282 CA ASN A 81 -12.239 1.291 -0.355 1.00 0.00 C ATOM 1283 C ASN A 81 -11.181 0.381 0.262 1.00 0.00 C ATOM 1284 O ASN A 81 -11.007 -0.762 -0.163 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.585 2.577 -0.866 1.00 0.00 C ATOM 1286 CG ASN A 81 -12.508 3.377 -1.765 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -13.628 2.957 -2.055 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -12.040 4.537 -2.211 1.00 0.00 N ATOM 0 H ASN A 81 -13.565 2.585 0.626 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.700 0.767 -1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.287 3.192 -0.017 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.676 2.327 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.616 5.119 -2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.105 4.846 -1.945 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.480 0.894 1.267 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.442 0.127 1.944 1.00 0.00 C ATOM 1297 C ILE A 82 -9.809 -1.351 2.016 1.00 0.00 C ATOM 1298 O ILE A 82 -9.047 -2.213 1.577 1.00 0.00 O ATOM 1299 CB ILE A 82 -9.192 0.653 3.370 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.727 2.110 3.326 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -8.166 -0.215 4.082 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.752 2.793 4.675 1.00 0.00 C ATOM 0 H ILE A 82 -10.612 1.838 1.631 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.531 0.244 1.358 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.128 0.607 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.713 2.147 2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.362 2.665 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.000 0.169 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.534 -1.239 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.228 -0.198 3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.410 3.822 4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.769 2.787 5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.095 2.262 5.364 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.982 -1.637 2.570 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.452 -3.011 2.699 1.00 0.00 C ATOM 1316 C ARG A 83 -11.384 -3.737 1.359 1.00 0.00 C ATOM 1317 O ARG A 83 -10.933 -4.880 1.281 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.886 -3.035 3.232 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.998 -2.640 4.696 1.00 0.00 C ATOM 1320 CD ARG A 83 -14.334 -1.976 4.992 1.00 0.00 C ATOM 1321 NE ARG A 83 -14.771 -2.217 6.365 1.00 0.00 N ATOM 1322 CZ ARG A 83 -15.671 -1.467 6.991 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -16.226 -0.435 6.371 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -16.018 -1.749 8.240 1.00 0.00 N ATOM 0 H ARG A 83 -11.625 -0.935 2.937 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.801 -3.526 3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.498 -2.360 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.296 -4.036 3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.883 -3.524 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.187 -1.959 4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.252 -0.903 4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.087 -2.352 4.300 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.363 -3.004 6.870 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.962 -0.215 5.411 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.917 0.139 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.594 -2.542 8.720 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.709 -1.172 8.720 1.00 0.00 H new ATOM 1338 N THR A 84 -11.835 -3.065 0.304 1.00 0.00 N ATOM 1339 CA THR A 84 -11.828 -3.646 -1.033 1.00 0.00 C ATOM 1340 C THR A 84 -10.457 -4.216 -1.376 1.00 0.00 C ATOM 1341 O THR A 84 -10.349 -5.320 -1.912 1.00 0.00 O ATOM 1342 CB THR A 84 -12.220 -2.606 -2.099 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.534 -2.102 -1.832 1.00 0.00 O ATOM 1344 CG2 THR A 84 -12.179 -3.217 -3.492 1.00 0.00 C ATOM 0 H THR A 84 -12.210 -2.117 0.350 1.00 0.00 H new ATOM 0 HA THR A 84 -12.564 -4.450 -1.033 1.00 0.00 H new ATOM 0 HB THR A 84 -11.502 -1.787 -2.057 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.482 -1.396 -1.154 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.460 -2.464 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.171 -3.573 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.877 -4.052 -3.544 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.410 -3.459 -1.065 1.00 0.00 N ATOM 1353 CA PHE A 85 -8.045 -3.890 -1.341 1.00 0.00 C ATOM 1354 C PHE A 85 -7.720 -5.180 -0.594 1.00 0.00 C ATOM 1355 O PHE A 85 -7.406 -6.202 -1.205 1.00 0.00 O ATOM 1356 CB PHE A 85 -7.052 -2.794 -0.946 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.674 -3.313 -0.649 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.770 -3.542 -1.674 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -5.283 -3.571 0.655 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.502 -4.020 -1.403 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -4.016 -4.048 0.931 1.00 0.00 C ATOM 1362 CZ PHE A 85 -3.124 -4.273 -0.099 1.00 0.00 C ATOM 0 H PHE A 85 -9.481 -2.543 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.960 -4.080 -2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.990 -2.063 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.431 -2.270 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.060 -3.345 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.976 -3.397 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.807 -4.196 -2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.723 -4.245 1.952 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.133 -4.646 0.115 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.797 -5.124 0.731 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.511 -6.287 1.563 1.00 0.00 C ATOM 1374 C LEU A 86 -8.229 -7.525 1.035 1.00 0.00 C ATOM 1375 O LEU A 86 -7.752 -8.649 1.196 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.929 -6.019 3.010 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.356 -4.755 3.652 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -8.154 -4.375 4.889 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.888 -4.953 4.002 1.00 0.00 C ATOM 0 H LEU A 86 -8.055 -4.286 1.252 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.437 -6.471 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.017 -5.960 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.635 -6.876 3.616 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.431 -3.940 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.731 -3.473 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.191 -4.190 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.112 -5.189 5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.497 -4.043 4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.790 -5.782 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.325 -5.176 3.096 1.00 0.00 H new ATOM 1391 N THR A 87 -9.378 -7.311 0.402 1.00 0.00 N ATOM 1392 CA THR A 87 -10.161 -8.408 -0.152 1.00 0.00 C ATOM 1393 C THR A 87 -9.416 -9.097 -1.289 1.00 0.00 C ATOM 1394 O THR A 87 -9.177 -10.303 -1.246 1.00 0.00 O ATOM 1395 CB THR A 87 -11.527 -7.918 -0.670 1.00 0.00 C ATOM 1396 OG1 THR A 87 -12.209 -7.192 0.359 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.384 -9.089 -1.126 1.00 0.00 C ATOM 0 H THR A 87 -9.787 -6.387 0.260 1.00 0.00 H new ATOM 0 HA THR A 87 -10.322 -9.121 0.657 1.00 0.00 H new ATOM 0 HB THR A 87 -11.354 -7.262 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.721 -6.365 0.554 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.343 -8.719 -1.487 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.875 -9.622 -1.929 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.549 -9.767 -0.289 1.00 0.00 H new ATOM 1405 N ALA A 88 -9.051 -8.323 -2.306 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.331 -8.859 -3.454 1.00 0.00 C ATOM 1407 C ALA A 88 -7.087 -9.623 -3.013 1.00 0.00 C ATOM 1408 O ALA A 88 -6.758 -10.669 -3.575 1.00 0.00 O ATOM 1409 CB ALA A 88 -7.952 -7.737 -4.410 1.00 0.00 C ATOM 0 H ALA A 88 -9.242 -7.322 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.990 -9.556 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.415 -8.152 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.855 -7.236 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.315 -7.019 -3.894 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.400 -9.096 -2.006 1.00 0.00 N ATOM 1416 CA CYS A 89 -5.191 -9.729 -1.491 1.00 0.00 C ATOM 1417 C CYS A 89 -5.452 -11.188 -1.132 1.00 0.00 C ATOM 1418 O CYS A 89 -4.521 -11.986 -1.019 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.678 -8.974 -0.264 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.510 -7.648 -0.649 1.00 0.00 S ATOM 0 H CYS A 89 -6.659 -8.232 -1.530 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.432 -9.696 -2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.528 -8.551 0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.198 -9.682 0.411 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.906 -6.544 -0.087 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.723 -11.530 -0.953 1.00 0.00 N ATOM 1427 CA CYS A 90 -7.107 -12.893 -0.605 1.00 0.00 C ATOM 1428 C CYS A 90 -7.887 -13.546 -1.741 1.00 0.00 C ATOM 1429 O CYS A 90 -7.833 -14.761 -1.925 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.945 -12.898 0.674 1.00 0.00 C ATOM 1431 SG CYS A 90 -7.112 -12.171 2.105 1.00 0.00 S ATOM 0 H CYS A 90 -7.505 -10.882 -1.043 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.197 -13.468 -0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.871 -12.353 0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.221 -13.926 0.911 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.023 -12.835 2.356 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.613 -12.730 -2.499 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.406 -13.229 -3.616 1.00 0.00 C ATOM 1439 C GLU A 91 -8.587 -13.242 -4.903 1.00 0.00 C ATOM 1440 O GLU A 91 -8.485 -14.266 -5.579 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.659 -12.372 -3.804 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.562 -12.336 -2.582 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.585 -13.455 -2.580 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -13.498 -13.427 -3.431 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -12.471 -14.360 -1.726 1.00 0.00 O ATOM 0 H GLU A 91 -8.668 -11.721 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.705 -14.252 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.359 -11.354 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.226 -12.754 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.952 -12.405 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.078 -11.377 -2.544 1.00 0.00 H new ATOM 1452 N THR A 92 -8.003 -12.095 -5.237 1.00 0.00 N ATOM 1453 CA THR A 92 -7.194 -11.971 -6.443 1.00 0.00 C ATOM 1454 C THR A 92 -5.906 -12.778 -6.326 1.00 0.00 C ATOM 1455 O THR A 92 -5.615 -13.627 -7.169 1.00 0.00 O ATOM 1456 CB THR A 92 -6.840 -10.501 -6.735 1.00 0.00 C ATOM 1457 OG1 THR A 92 -8.033 -9.754 -7.004 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.893 -10.397 -7.920 1.00 0.00 C ATOM 0 H THR A 92 -8.076 -11.238 -4.688 1.00 0.00 H new ATOM 0 HA THR A 92 -7.792 -12.363 -7.266 1.00 0.00 H new ATOM 0 HB THR A 92 -6.343 -10.089 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.797 -8.830 -7.230 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.658 -9.349 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.975 -10.942 -7.701 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.367 -10.825 -8.803 1.00 0.00 H new ATOM 1466 N PHE A 93 -5.138 -12.509 -5.275 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.880 -13.210 -5.048 1.00 0.00 C ATOM 1468 C PHE A 93 -4.089 -14.426 -4.151 1.00 0.00 C ATOM 1469 O PHE A 93 -3.867 -15.563 -4.565 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.853 -12.268 -4.418 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.382 -11.186 -5.347 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -3.274 -10.257 -5.858 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -1.047 -11.098 -5.709 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.844 -9.260 -6.713 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.612 -10.102 -6.563 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.511 -9.183 -7.067 1.00 0.00 C ATOM 0 H PHE A 93 -5.365 -11.811 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.505 -13.552 -6.012 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.289 -11.809 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.993 -12.850 -4.086 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.317 -10.313 -5.585 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.339 -11.815 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.549 -8.542 -7.104 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.431 -10.043 -6.836 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.173 -8.406 -7.736 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.519 -14.177 -2.917 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.751 -15.260 -1.980 1.00 0.00 C ATOM 1488 C GLY A 94 -3.648 -15.380 -0.947 1.00 0.00 C ATOM 1489 O GLY A 94 -2.960 -16.398 -0.880 1.00 0.00 O ATOM 0 H GLY A 94 -4.711 -13.245 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.703 -15.100 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.835 -16.199 -2.528 1.00 0.00 H new ATOM 1493 N MET A 95 -3.478 -14.336 -0.142 1.00 0.00 N ATOM 1494 CA MET A 95 -2.449 -14.329 0.892 1.00 0.00 C ATOM 1495 C MET A 95 -3.071 -14.461 2.278 1.00 0.00 C ATOM 1496 O MET A 95 -4.259 -14.199 2.463 1.00 0.00 O ATOM 1497 CB MET A 95 -1.623 -13.044 0.811 1.00 0.00 C ATOM 1498 CG MET A 95 -0.430 -13.146 -0.126 1.00 0.00 C ATOM 1499 SD MET A 95 0.831 -11.904 0.218 1.00 0.00 S ATOM 1500 CE MET A 95 -0.123 -10.397 0.050 1.00 0.00 C ATOM 0 H MET A 95 -4.039 -13.485 -0.186 1.00 0.00 H new ATOM 0 HA MET A 95 -1.794 -15.184 0.724 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.266 -12.229 0.480 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.270 -12.786 1.809 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.011 -14.139 -0.040 1.00 0.00 H new ATOM 0 HG3 MET A 95 -0.771 -13.037 -1.155 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.512 -9.538 0.269 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.502 -10.318 -0.969 1.00 0.00 H new ATOM 0 HE3 MET A 95 -0.960 -10.417 0.748 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.260 -14.870 3.249 1.00 0.00 N ATOM 1511 CA ARG A 96 -2.732 -15.038 4.618 1.00 0.00 C ATOM 1512 C ARG A 96 -3.319 -13.736 5.155 1.00 0.00 C ATOM 1513 O ARG A 96 -2.591 -12.861 5.625 1.00 0.00 O ATOM 1514 CB ARG A 96 -1.588 -15.504 5.521 1.00 0.00 C ATOM 1515 CG ARG A 96 -1.220 -16.967 5.331 1.00 0.00 C ATOM 1516 CD ARG A 96 -0.193 -17.144 4.223 1.00 0.00 C ATOM 1517 NE ARG A 96 -0.820 -17.255 2.909 1.00 0.00 N ATOM 1518 CZ ARG A 96 -1.602 -18.267 2.550 1.00 0.00 C ATOM 1519 NH1 ARG A 96 -1.852 -19.250 3.404 1.00 0.00 N ATOM 1520 NH2 ARG A 96 -2.136 -18.297 1.336 1.00 0.00 N ATOM 0 H ARG A 96 -1.274 -15.091 3.113 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.516 -15.796 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.709 -14.889 5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.868 -15.341 6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.823 -17.368 6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.116 -17.541 5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.494 -16.298 4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.401 -18.037 4.418 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.648 -16.514 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.444 -19.230 4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.453 -20.026 3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.946 -17.542 0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.736 -19.075 1.062 1.00 0.00 H new ATOM 1534 N LYS A 97 -4.640 -13.614 5.081 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.326 -12.420 5.559 1.00 0.00 C ATOM 1536 C LYS A 97 -4.653 -11.871 6.813 1.00 0.00 C ATOM 1537 O LYS A 97 -4.494 -10.659 6.964 1.00 0.00 O ATOM 1538 CB LYS A 97 -6.795 -12.734 5.852 1.00 0.00 C ATOM 1539 CG LYS A 97 -7.703 -11.517 5.784 1.00 0.00 C ATOM 1540 CD LYS A 97 -8.952 -11.706 6.627 1.00 0.00 C ATOM 1541 CE LYS A 97 -9.988 -12.555 5.906 1.00 0.00 C ATOM 1542 NZ LYS A 97 -11.286 -12.585 6.636 1.00 0.00 N ATOM 0 H LYS A 97 -5.257 -14.328 4.694 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.271 -11.662 4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.147 -13.480 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.872 -13.179 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.160 -10.637 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.987 -11.331 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.686 -12.179 7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.381 -10.733 6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.145 -12.161 4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.611 -13.571 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.965 -13.174 6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.141 -12.984 7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.659 -11.618 6.720 1.00 0.00 H new ATOM 1556 N SER A 98 -4.259 -12.769 7.710 1.00 0.00 N ATOM 1557 CA SER A 98 -3.605 -12.374 8.952 1.00 0.00 C ATOM 1558 C SER A 98 -2.436 -11.434 8.675 1.00 0.00 C ATOM 1559 O SER A 98 -2.286 -10.404 9.330 1.00 0.00 O ATOM 1560 CB SER A 98 -3.113 -13.609 9.709 1.00 0.00 C ATOM 1561 OG SER A 98 -2.255 -14.395 8.900 1.00 0.00 O ATOM 0 H SER A 98 -4.381 -13.776 7.600 1.00 0.00 H new ATOM 0 HA SER A 98 -4.335 -11.847 9.567 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.585 -13.300 10.611 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.966 -14.208 10.028 1.00 0.00 H new ATOM 0 HG SER A 98 -1.953 -15.177 9.407 1.00 0.00 H new ATOM 1567 N GLU A 99 -1.610 -11.799 7.699 1.00 0.00 N ATOM 1568 CA GLU A 99 -0.453 -10.989 7.335 1.00 0.00 C ATOM 1569 C GLU A 99 -0.876 -9.566 6.978 1.00 0.00 C ATOM 1570 O GLU A 99 -0.172 -8.602 7.281 1.00 0.00 O ATOM 1571 CB GLU A 99 0.292 -11.622 6.158 1.00 0.00 C ATOM 1572 CG GLU A 99 -0.187 -11.134 4.801 1.00 0.00 C ATOM 1573 CD GLU A 99 0.659 -11.663 3.659 1.00 0.00 C ATOM 1574 OE1 GLU A 99 0.910 -12.886 3.625 1.00 0.00 O ATOM 1575 OE2 GLU A 99 1.070 -10.854 2.801 1.00 0.00 O ATOM 0 H GLU A 99 -1.720 -12.649 7.147 1.00 0.00 H new ATOM 0 HA GLU A 99 0.214 -10.947 8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.357 -11.409 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.177 -12.705 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.223 -11.441 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.172 -10.044 4.785 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.029 -9.444 6.331 1.00 0.00 N ATOM 1583 CA LEU A 100 -2.547 -8.140 5.930 1.00 0.00 C ATOM 1584 C LEU A 100 -2.644 -7.201 7.129 1.00 0.00 C ATOM 1585 O LEU A 100 -2.300 -7.573 8.251 1.00 0.00 O ATOM 1586 CB LEU A 100 -3.921 -8.293 5.277 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.048 -9.404 4.233 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.481 -9.509 3.736 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.096 -9.155 3.072 1.00 0.00 C ATOM 0 H LEU A 100 -2.623 -10.232 6.073 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.854 -7.708 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.656 -8.473 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.184 -7.346 4.805 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.778 -10.350 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.551 -10.305 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.141 -9.734 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.779 -8.563 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.199 -9.955 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.335 -8.200 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.071 -9.131 3.441 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.116 -5.983 6.884 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.259 -4.991 7.943 1.00 0.00 C ATOM 1603 C PHE A 101 -4.730 -4.679 8.200 1.00 0.00 C ATOM 1604 O PHE A 101 -5.613 -5.191 7.513 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.511 -3.708 7.574 1.00 0.00 C ATOM 1606 CG PHE A 101 -2.815 -3.215 6.188 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -2.229 -3.810 5.082 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -3.687 -2.157 5.991 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -2.506 -3.357 3.806 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -3.969 -1.700 4.717 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.378 -2.302 3.623 1.00 0.00 C ATOM 0 H PHE A 101 -3.406 -5.659 5.961 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.828 -5.405 8.855 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.766 -2.929 8.292 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.439 -3.884 7.662 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.548 -4.637 5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.152 -1.683 6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.041 -3.828 2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.650 -0.874 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.598 -1.948 2.627 1.00 0.00 H new ATOM 1621 N GLU A 102 -4.985 -3.837 9.197 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.349 -3.458 9.546 1.00 0.00 C ATOM 1623 C GLU A 102 -6.881 -2.396 8.588 1.00 0.00 C ATOM 1624 O GLU A 102 -6.212 -2.021 7.626 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.405 -2.938 10.984 1.00 0.00 C ATOM 1626 CG GLU A 102 -6.132 -4.006 12.029 1.00 0.00 C ATOM 1627 CD GLU A 102 -6.452 -3.541 13.437 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -5.640 -2.785 14.010 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -7.514 -3.933 13.964 1.00 0.00 O ATOM 0 H GLU A 102 -4.265 -3.405 9.777 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.978 -4.345 9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.677 -2.135 11.099 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.389 -2.506 11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.724 -4.892 11.800 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.084 -4.300 11.977 1.00 0.00 H new ATOM 1636 N ALA A 103 -8.091 -1.917 8.859 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.713 -0.898 8.023 1.00 0.00 C ATOM 1638 C ALA A 103 -8.573 0.486 8.649 1.00 0.00 C ATOM 1639 O ALA A 103 -8.451 1.488 7.943 1.00 0.00 O ATOM 1640 CB ALA A 103 -10.180 -1.228 7.792 1.00 0.00 C ATOM 0 H ALA A 103 -8.659 -2.218 9.651 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.198 -0.888 7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.632 -0.458 7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.262 -2.194 7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.699 -1.268 8.750 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.592 0.535 9.976 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.469 1.797 10.697 1.00 0.00 C ATOM 1648 C PHE A 104 -7.007 2.222 10.804 1.00 0.00 C ATOM 1649 O PHE A 104 -6.688 3.409 10.735 1.00 0.00 O ATOM 1650 CB PHE A 104 -9.079 1.672 12.095 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.424 2.994 12.718 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.425 3.787 12.183 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.746 3.444 13.840 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.746 5.004 12.754 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -9.062 4.659 14.416 1.00 0.00 C ATOM 1656 CZ PHE A 104 -10.062 5.441 13.872 1.00 0.00 C ATOM 0 H PHE A 104 -8.691 -0.285 10.575 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.011 2.560 10.138 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.980 1.061 12.037 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.378 1.146 12.743 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -10.962 3.450 11.308 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.962 2.838 14.269 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.530 5.612 12.327 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.527 4.997 15.291 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.309 6.392 14.320 1.00 0.00 H new ATOM 1666 N ASP A 105 -6.124 1.244 10.973 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.696 1.515 11.089 1.00 0.00 C ATOM 1668 C ASP A 105 -4.226 2.442 9.972 1.00 0.00 C ATOM 1669 O ASP A 105 -3.499 3.406 10.216 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.902 0.208 11.051 1.00 0.00 C ATOM 1671 CG ASP A 105 -3.610 -0.251 9.636 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -2.620 0.232 9.049 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -4.372 -1.093 9.116 1.00 0.00 O ATOM 0 H ASP A 105 -6.372 0.256 11.033 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.522 2.009 12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.963 0.341 11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.461 -0.568 11.574 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.646 2.144 8.748 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.267 2.950 7.592 1.00 0.00 C ATOM 1680 C LEU A 106 -5.011 4.282 7.590 1.00 0.00 C ATOM 1681 O LEU A 106 -4.397 5.348 7.537 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.558 2.189 6.297 1.00 0.00 C ATOM 1683 CG LEU A 106 -4.091 2.860 5.005 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.575 2.806 4.894 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.739 2.200 3.797 1.00 0.00 C ATOM 0 H LEU A 106 -5.249 1.351 8.530 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.198 3.151 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.089 1.207 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.633 2.025 6.229 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.397 3.906 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.261 3.288 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.129 3.325 5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.247 1.766 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.395 2.690 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.464 1.146 3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.823 2.290 3.871 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.337 4.214 7.652 1.00 0.00 N ATOM 1698 CA PHE A 107 -7.164 5.414 7.658 1.00 0.00 C ATOM 1699 C PHE A 107 -6.663 6.415 8.696 1.00 0.00 C ATOM 1700 O PHE A 107 -6.282 7.536 8.359 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.623 5.052 7.946 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.568 6.210 7.800 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.557 6.990 6.655 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.469 6.518 8.807 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.425 8.057 6.518 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.340 7.583 8.676 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.319 8.353 7.529 1.00 0.00 C ATOM 0 H PHE A 107 -6.861 3.340 7.699 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.098 5.875 6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.931 4.254 7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.698 4.658 8.959 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.862 6.762 5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.491 5.918 9.705 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.404 8.659 5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -12.036 7.813 9.469 1.00 0.00 H new ATOM 0 HZ PHE A 107 -12.000 9.185 7.423 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.667 6.001 9.958 1.00 0.00 N ATOM 1718 CA ASP A 108 -6.212 6.860 11.045 1.00 0.00 C ATOM 1719 C ASP A 108 -4.688 6.890 11.113 1.00 0.00 C ATOM 1720 O ASP A 108 -4.109 7.421 12.061 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.785 6.377 12.379 1.00 0.00 C ATOM 1722 CG ASP A 108 -6.982 7.508 13.368 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -7.845 8.374 13.115 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -6.272 7.529 14.396 1.00 0.00 O ATOM 0 H ASP A 108 -6.980 5.076 10.254 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.569 7.871 10.850 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.740 5.882 12.203 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.115 5.633 12.811 1.00 0.00 H new ATOM 1729 N VAL A 109 -4.045 6.316 10.102 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.588 6.277 10.046 1.00 0.00 C ATOM 1731 C VAL A 109 -1.994 5.981 11.419 1.00 0.00 C ATOM 1732 O VAL A 109 -1.030 6.621 11.840 1.00 0.00 O ATOM 1733 CB VAL A 109 -2.011 7.606 9.524 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.544 7.443 9.157 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.815 8.105 8.333 1.00 0.00 C ATOM 0 H VAL A 109 -4.510 5.871 9.310 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.318 5.477 9.356 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.082 8.350 10.318 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.153 8.392 8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.019 7.135 10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.445 6.685 8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.393 9.045 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.778 7.365 7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.851 8.263 8.634 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.575 5.007 12.112 1.00 0.00 N ATOM 1746 CA ARG A 110 -2.103 4.627 13.438 1.00 0.00 C ATOM 1747 C ARG A 110 -0.742 3.942 13.355 1.00 0.00 C ATOM 1748 O ARG A 110 0.246 4.433 13.900 1.00 0.00 O ATOM 1749 CB ARG A 110 -3.113 3.699 14.115 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.525 4.259 14.152 1.00 0.00 C ATOM 1751 CD ARG A 110 -5.290 3.761 15.368 1.00 0.00 C ATOM 1752 NE ARG A 110 -4.710 4.248 16.617 1.00 0.00 N ATOM 1753 CZ ARG A 110 -5.104 3.841 17.818 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -6.074 2.945 17.933 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -4.528 4.331 18.908 1.00 0.00 N ATOM 0 H ARG A 110 -3.373 4.467 11.777 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.998 5.534 14.033 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.124 2.743 13.591 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.784 3.499 15.135 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.485 5.348 14.167 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.055 3.972 13.244 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.329 4.085 15.300 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.295 2.671 15.372 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.961 4.939 16.564 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.520 2.566 17.098 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.374 2.634 18.857 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.782 5.021 18.824 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.832 4.018 19.830 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.699 2.804 12.669 1.00 0.00 N ATOM 1770 CA ASP A 111 0.540 2.051 12.514 1.00 0.00 C ATOM 1771 C ASP A 111 0.803 1.735 11.045 1.00 0.00 C ATOM 1772 O ASP A 111 0.297 0.747 10.512 1.00 0.00 O ATOM 1773 CB ASP A 111 0.480 0.756 13.325 1.00 0.00 C ATOM 1774 CG ASP A 111 0.887 0.959 14.771 1.00 0.00 C ATOM 1775 OD1 ASP A 111 1.967 1.539 15.008 1.00 0.00 O ATOM 1776 OD2 ASP A 111 0.124 0.540 15.666 1.00 0.00 O ATOM 0 H ASP A 111 -1.508 2.383 12.212 1.00 0.00 H new ATOM 0 HA ASP A 111 1.359 2.666 12.887 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.533 0.355 13.289 1.00 0.00 H new ATOM 0 HB3 ASP A 111 1.134 0.014 12.867 1.00 0.00 H new ATOM 1781 N PHE A 112 1.597 2.580 10.396 1.00 0.00 N ATOM 1782 CA PHE A 112 1.925 2.391 8.988 1.00 0.00 C ATOM 1783 C PHE A 112 2.850 1.192 8.801 1.00 0.00 C ATOM 1784 O PHE A 112 2.730 0.447 7.828 1.00 0.00 O ATOM 1785 CB PHE A 112 2.586 3.651 8.423 1.00 0.00 C ATOM 1786 CG PHE A 112 2.724 3.636 6.927 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.622 3.413 6.118 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.957 3.846 6.331 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.747 3.398 4.742 1.00 0.00 C ATOM 1790 CE2 PHE A 112 4.088 3.832 4.955 1.00 0.00 C ATOM 1791 CZ PHE A 112 2.981 3.609 4.160 1.00 0.00 C ATOM 0 H PHE A 112 2.025 3.402 10.822 1.00 0.00 H new ATOM 0 HA PHE A 112 0.998 2.201 8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.000 4.522 8.717 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.574 3.765 8.870 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.654 3.249 6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.825 4.023 6.948 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.880 3.221 4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.055 3.995 4.502 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.080 3.600 3.085 1.00 0.00 H new ATOM 1801 N GLY A 113 3.773 1.011 9.740 1.00 0.00 N ATOM 1802 CA GLY A 113 4.705 -0.098 9.661 1.00 0.00 C ATOM 1803 C GLY A 113 4.020 -1.408 9.327 1.00 0.00 C ATOM 1804 O GLY A 113 4.564 -2.232 8.591 1.00 0.00 O ATOM 0 H GLY A 113 3.892 1.613 10.555 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.459 0.118 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.228 -0.197 10.612 1.00 0.00 H new ATOM 1808 N LYS A 114 2.823 -1.604 9.869 1.00 0.00 N ATOM 1809 CA LYS A 114 2.061 -2.823 9.625 1.00 0.00 C ATOM 1810 C LYS A 114 1.645 -2.920 8.160 1.00 0.00 C ATOM 1811 O LYS A 114 1.629 -4.006 7.580 1.00 0.00 O ATOM 1812 CB LYS A 114 0.822 -2.863 10.522 1.00 0.00 C ATOM 1813 CG LYS A 114 1.139 -3.124 11.985 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.083 -3.621 12.740 1.00 0.00 C ATOM 1815 CE LYS A 114 -0.174 -5.139 12.714 1.00 0.00 C ATOM 1816 NZ LYS A 114 -0.862 -5.633 11.489 1.00 0.00 N ATOM 0 H LYS A 114 2.359 -0.933 10.481 1.00 0.00 H new ATOM 0 HA LYS A 114 2.700 -3.674 9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.292 -1.915 10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.147 -3.639 10.161 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.938 -3.861 12.059 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.506 -2.208 12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.039 -3.276 13.773 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.983 -3.194 12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.829 -5.564 12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.711 -5.486 13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.279 -6.567 11.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.614 -4.966 11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.175 -5.711 10.712 1.00 0.00 H new ATOM 1830 N VAL A 115 1.309 -1.778 7.568 1.00 0.00 N ATOM 1831 CA VAL A 115 0.895 -1.735 6.171 1.00 0.00 C ATOM 1832 C VAL A 115 2.066 -2.030 5.241 1.00 0.00 C ATOM 1833 O VAL A 115 1.922 -2.752 4.254 1.00 0.00 O ATOM 1834 CB VAL A 115 0.296 -0.364 5.805 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.272 -0.388 4.395 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.771 0.037 6.812 1.00 0.00 C ATOM 0 H VAL A 115 1.316 -0.871 8.034 1.00 0.00 H new ATOM 0 HA VAL A 115 0.132 -2.503 6.044 1.00 0.00 H new ATOM 0 HB VAL A 115 1.091 0.380 5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.691 0.589 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.522 -0.627 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.055 -1.144 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.183 1.008 6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.567 -0.708 6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.328 0.098 7.806 1.00 0.00 H new ATOM 1846 N ILE A 116 3.226 -1.467 5.563 1.00 0.00 N ATOM 1847 CA ILE A 116 4.424 -1.672 4.757 1.00 0.00 C ATOM 1848 C ILE A 116 4.794 -3.149 4.688 1.00 0.00 C ATOM 1849 O ILE A 116 4.968 -3.705 3.604 1.00 0.00 O ATOM 1850 CB ILE A 116 5.620 -0.880 5.316 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.257 0.599 5.463 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.833 -1.046 4.413 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.373 1.441 6.042 1.00 0.00 C ATOM 0 H ILE A 116 3.362 -0.866 6.376 1.00 0.00 H new ATOM 0 HA ILE A 116 4.196 -1.310 3.754 1.00 0.00 H new ATOM 0 HB ILE A 116 5.868 -1.273 6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.983 0.996 4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.378 0.687 6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.671 -0.480 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.102 -2.101 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.597 -0.676 3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.045 2.478 6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.632 1.069 7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.247 1.383 5.393 1.00 0.00 H new ATOM 1865 N GLU A 117 4.911 -3.780 5.852 1.00 0.00 N ATOM 1866 CA GLU A 117 5.259 -5.194 5.923 1.00 0.00 C ATOM 1867 C GLU A 117 4.430 -6.009 4.935 1.00 0.00 C ATOM 1868 O GLU A 117 4.972 -6.678 4.054 1.00 0.00 O ATOM 1869 CB GLU A 117 5.047 -5.724 7.342 1.00 0.00 C ATOM 1870 CG GLU A 117 5.670 -7.090 7.582 1.00 0.00 C ATOM 1871 CD GLU A 117 4.935 -8.201 6.858 1.00 0.00 C ATOM 1872 OE1 GLU A 117 3.704 -8.082 6.683 1.00 0.00 O ATOM 1873 OE2 GLU A 117 5.590 -9.189 6.466 1.00 0.00 O ATOM 0 H GLU A 117 4.770 -3.334 6.759 1.00 0.00 H new ATOM 0 HA GLU A 117 6.311 -5.296 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.467 -5.013 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.977 -5.782 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.710 -7.074 7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.676 -7.300 8.652 1.00 0.00 H new ATOM 1880 N THR A 118 3.111 -5.948 5.087 1.00 0.00 N ATOM 1881 CA THR A 118 2.206 -6.680 4.210 1.00 0.00 C ATOM 1882 C THR A 118 2.755 -6.755 2.790 1.00 0.00 C ATOM 1883 O THR A 118 2.820 -7.831 2.194 1.00 0.00 O ATOM 1884 CB THR A 118 0.809 -6.031 4.175 1.00 0.00 C ATOM 1885 OG1 THR A 118 0.307 -5.877 5.507 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.158 -6.872 3.356 1.00 0.00 C ATOM 0 H THR A 118 2.646 -5.399 5.810 1.00 0.00 H new ATOM 0 HA THR A 118 2.120 -7.688 4.616 1.00 0.00 H new ATOM 0 HB THR A 118 0.899 -5.051 3.706 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.209 -6.759 5.923 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.137 -6.394 3.346 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.213 -6.962 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.243 -7.864 3.800 1.00 0.00 H new ATOM 1894 N LEU A 119 3.151 -5.606 2.253 1.00 0.00 N ATOM 1895 CA LEU A 119 3.696 -5.541 0.902 1.00 0.00 C ATOM 1896 C LEU A 119 4.972 -6.369 0.790 1.00 0.00 C ATOM 1897 O LEU A 119 5.132 -7.159 -0.141 1.00 0.00 O ATOM 1898 CB LEU A 119 3.982 -4.089 0.516 1.00 0.00 C ATOM 1899 CG LEU A 119 2.882 -3.078 0.844 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.369 -1.659 0.592 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.631 -3.368 0.027 1.00 0.00 C ATOM 0 H LEU A 119 3.105 -4.707 2.733 1.00 0.00 H new ATOM 0 HA LEU A 119 2.955 -5.954 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.898 -3.775 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.175 -4.050 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 119 2.632 -3.172 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.573 -0.953 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.236 -1.455 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.647 -1.551 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.859 -2.639 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.867 -3.302 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.270 -4.371 0.257 1.00 0.00 H new ATOM 1913 N SER A 120 5.878 -6.185 1.745 1.00 0.00 N ATOM 1914 CA SER A 120 7.141 -6.914 1.753 1.00 0.00 C ATOM 1915 C SER A 120 6.925 -8.378 1.383 1.00 0.00 C ATOM 1916 O SER A 120 7.664 -8.941 0.576 1.00 0.00 O ATOM 1917 CB SER A 120 7.802 -6.816 3.129 1.00 0.00 C ATOM 1918 OG SER A 120 9.030 -7.523 3.156 1.00 0.00 O ATOM 0 H SER A 120 5.761 -5.537 2.524 1.00 0.00 H new ATOM 0 HA SER A 120 7.798 -6.462 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.976 -5.769 3.379 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.131 -7.218 3.888 1.00 0.00 H new ATOM 0 HG SER A 120 9.434 -7.444 4.046 1.00 0.00 H new ATOM 1924 N ARG A 121 5.906 -8.989 1.980 1.00 0.00 N ATOM 1925 CA ARG A 121 5.593 -10.388 1.715 1.00 0.00 C ATOM 1926 C ARG A 121 4.925 -10.547 0.352 1.00 0.00 C ATOM 1927 O ARG A 121 5.266 -11.447 -0.417 1.00 0.00 O ATOM 1928 CB ARG A 121 4.680 -10.944 2.810 1.00 0.00 C ATOM 1929 CG ARG A 121 5.337 -11.002 4.179 1.00 0.00 C ATOM 1930 CD ARG A 121 4.332 -11.356 5.264 1.00 0.00 C ATOM 1931 NE ARG A 121 4.952 -12.085 6.368 1.00 0.00 N ATOM 1932 CZ ARG A 121 4.476 -12.086 7.608 1.00 0.00 C ATOM 1933 NH1 ARG A 121 3.379 -11.401 7.900 1.00 0.00 N ATOM 1934 NH2 ARG A 121 5.096 -12.773 8.558 1.00 0.00 N ATOM 0 H ARG A 121 5.284 -8.537 2.650 1.00 0.00 H new ATOM 0 HA ARG A 121 6.527 -10.949 1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.784 -10.327 2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.358 -11.946 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 121 6.138 -11.741 4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 121 5.795 -10.039 4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.873 -10.444 5.645 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.533 -11.960 4.835 1.00 0.00 H new ATOM 0 HE ARG A 121 5.797 -12.623 6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.899 -10.872 7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.015 -11.403 8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.940 -13.302 8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.729 -12.773 9.510 1.00 0.00 H new ATOM 1948 N LEU A 122 3.973 -9.668 0.060 1.00 0.00 N ATOM 1949 CA LEU A 122 3.257 -9.711 -1.211 1.00 0.00 C ATOM 1950 C LEU A 122 4.215 -9.975 -2.367 1.00 0.00 C ATOM 1951 O LEU A 122 3.969 -10.842 -3.206 1.00 0.00 O ATOM 1952 CB LEU A 122 2.510 -8.396 -1.442 1.00 0.00 C ATOM 1953 CG LEU A 122 2.068 -8.120 -2.880 1.00 0.00 C ATOM 1954 CD1 LEU A 122 1.048 -9.153 -3.332 1.00 0.00 C ATOM 1955 CD2 LEU A 122 1.495 -6.715 -3.001 1.00 0.00 C ATOM 0 H LEU A 122 3.679 -8.917 0.685 1.00 0.00 H new ATOM 0 HA LEU A 122 2.537 -10.528 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.627 -8.386 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 122 3.149 -7.576 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 122 2.941 -8.193 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.745 -8.941 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.491 -10.148 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.175 -9.112 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.186 -6.536 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.634 -6.615 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 122 2.255 -5.987 -2.718 1.00 0.00 H new ATOM 1967 N SER A 123 5.311 -9.223 -2.405 1.00 0.00 N ATOM 1968 CA SER A 123 6.306 -9.375 -3.460 1.00 0.00 C ATOM 1969 C SER A 123 6.564 -10.850 -3.756 1.00 0.00 C ATOM 1970 O SER A 123 6.630 -11.259 -4.915 1.00 0.00 O ATOM 1971 CB SER A 123 7.613 -8.687 -3.060 1.00 0.00 C ATOM 1972 OG SER A 123 8.225 -9.351 -1.968 1.00 0.00 O ATOM 0 H SER A 123 5.532 -8.503 -1.717 1.00 0.00 H new ATOM 0 HA SER A 123 5.917 -8.904 -4.363 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.295 -8.673 -3.910 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.415 -7.649 -2.794 1.00 0.00 H new ATOM 0 HG SER A 123 8.029 -8.867 -1.139 1.00 0.00 H new ATOM 1978 N ARG A 124 6.709 -11.642 -2.698 1.00 0.00 N ATOM 1979 CA ARG A 124 6.961 -13.070 -2.843 1.00 0.00 C ATOM 1980 C ARG A 124 6.056 -13.677 -3.912 1.00 0.00 C ATOM 1981 O ARG A 124 6.482 -14.528 -4.692 1.00 0.00 O ATOM 1982 CB ARG A 124 6.744 -13.786 -1.509 1.00 0.00 C ATOM 1983 CG ARG A 124 7.828 -13.503 -0.482 1.00 0.00 C ATOM 1984 CD ARG A 124 9.120 -14.229 -0.822 1.00 0.00 C ATOM 1985 NE ARG A 124 10.097 -14.144 0.261 1.00 0.00 N ATOM 1986 CZ ARG A 124 11.404 -14.305 0.086 1.00 0.00 C ATOM 1987 NH1 ARG A 124 11.888 -14.556 -1.122 1.00 0.00 N ATOM 1988 NH2 ARG A 124 12.229 -14.213 1.121 1.00 0.00 N ATOM 0 H ARG A 124 6.656 -11.319 -1.732 1.00 0.00 H new ATOM 0 HA ARG A 124 7.998 -13.200 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 124 5.780 -13.487 -1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.695 -14.860 -1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.014 -12.430 -0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.485 -13.812 0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 124 8.903 -15.276 -1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 124 9.547 -13.803 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 124 9.757 -13.950 1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 124 11.257 -14.626 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 124 12.892 -14.679 -1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 124 11.860 -14.019 2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 124 13.232 -14.337 0.986 1.00 0.00 H new ATOM 2002 N THR A 125 4.803 -13.232 -3.940 1.00 0.00 N ATOM 2003 CA THR A 125 3.837 -13.731 -4.911 1.00 0.00 C ATOM 2004 C THR A 125 4.463 -13.855 -6.295 1.00 0.00 C ATOM 2005 O THR A 125 5.334 -13.076 -6.681 1.00 0.00 O ATOM 2006 CB THR A 125 2.603 -12.814 -4.997 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.989 -11.515 -5.462 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.923 -12.691 -3.642 1.00 0.00 C ATOM 0 H THR A 125 4.434 -12.527 -3.302 1.00 0.00 H new ATOM 0 HA THR A 125 3.524 -14.717 -4.568 1.00 0.00 H new ATOM 0 HB THR A 125 1.898 -13.257 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.374 -11.003 -4.720 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.054 -12.038 -3.729 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.604 -13.677 -3.304 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.623 -12.269 -2.921 1.00 0.00 H new ATOM 2016 N PRO A 126 4.009 -14.857 -7.063 1.00 0.00 N ATOM 2017 CA PRO A 126 4.510 -15.106 -8.418 1.00 0.00 C ATOM 2018 C PRO A 126 4.078 -14.025 -9.403 1.00 0.00 C ATOM 2019 O PRO A 126 4.402 -14.089 -10.589 1.00 0.00 O ATOM 2020 CB PRO A 126 3.879 -16.451 -8.788 1.00 0.00 C ATOM 2021 CG PRO A 126 2.648 -16.534 -7.952 1.00 0.00 C ATOM 2022 CD PRO A 126 2.972 -15.825 -6.667 1.00 0.00 C ATOM 0 HA PRO A 126 5.599 -15.106 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.640 -16.497 -9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.557 -17.278 -8.577 1.00 0.00 H new ATOM 0 HG2 PRO A 126 1.803 -16.064 -8.455 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.372 -17.572 -7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.096 -15.328 -6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.337 -16.517 -5.908 1.00 0.00 H new ATOM 2030 N ILE A 127 3.346 -13.035 -8.904 1.00 0.00 N ATOM 2031 CA ILE A 127 2.871 -11.940 -9.741 1.00 0.00 C ATOM 2032 C ILE A 127 3.795 -10.731 -9.641 1.00 0.00 C ATOM 2033 O ILE A 127 4.041 -10.041 -10.630 1.00 0.00 O ATOM 2034 CB ILE A 127 1.443 -11.514 -9.354 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.479 -12.694 -9.497 1.00 0.00 C ATOM 2036 CG2 ILE A 127 0.988 -10.344 -10.213 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.358 -13.531 -8.244 1.00 0.00 C ATOM 0 H ILE A 127 3.069 -12.968 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 127 2.866 -12.307 -10.767 1.00 0.00 H new ATOM 0 HB ILE A 127 1.445 -11.195 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.507 -12.316 -9.768 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.814 -13.329 -10.317 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.023 -10.055 -9.927 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.662 -9.500 -10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.999 -10.638 -11.263 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.341 -14.349 -8.419 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.335 -13.938 -7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.007 -12.910 -7.426 1.00 0.00 H new ATOM 2049 N ALA A 128 4.306 -10.482 -8.439 1.00 0.00 N ATOM 2050 CA ALA A 128 5.206 -9.359 -8.210 1.00 0.00 C ATOM 2051 C ALA A 128 6.573 -9.614 -8.836 1.00 0.00 C ATOM 2052 O ALA A 128 7.155 -8.728 -9.464 1.00 0.00 O ATOM 2053 CB ALA A 128 5.348 -9.092 -6.719 1.00 0.00 C ATOM 0 H ALA A 128 4.112 -11.043 -7.610 1.00 0.00 H new ATOM 0 HA ALA A 128 4.776 -8.478 -8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.023 -8.251 -6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.371 -8.857 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.752 -9.977 -6.228 1.00 0.00 H new ATOM 2059 N LEU A 129 7.081 -10.829 -8.661 1.00 0.00 N ATOM 2060 CA LEU A 129 8.381 -11.201 -9.209 1.00 0.00 C ATOM 2061 C LEU A 129 8.332 -11.262 -10.732 1.00 0.00 C ATOM 2062 O LEU A 129 9.262 -10.827 -11.410 1.00 0.00 O ATOM 2063 CB LEU A 129 8.825 -12.552 -8.646 1.00 0.00 C ATOM 2064 CG LEU A 129 8.858 -12.667 -7.122 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.100 -14.108 -6.700 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.927 -11.753 -6.541 1.00 0.00 C ATOM 0 H LEU A 129 6.613 -11.573 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 129 9.103 -10.438 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.157 -13.321 -9.034 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.822 -12.772 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 129 7.889 -12.354 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.120 -14.170 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.299 -14.739 -7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.055 -14.449 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.936 -11.848 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.902 -12.035 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.710 -10.720 -6.813 1.00 0.00 H new ATOM 2078 N ALA A 130 7.241 -11.803 -11.263 1.00 0.00 N ATOM 2079 CA ALA A 130 7.069 -11.917 -12.706 1.00 0.00 C ATOM 2080 C ALA A 130 7.525 -10.647 -13.415 1.00 0.00 C ATOM 2081 O ALA A 130 8.283 -10.702 -14.384 1.00 0.00 O ATOM 2082 CB ALA A 130 5.616 -12.220 -13.042 1.00 0.00 C ATOM 0 H ALA A 130 6.462 -12.169 -10.715 1.00 0.00 H new ATOM 0 HA ALA A 130 7.691 -12.741 -13.057 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.502 -12.302 -14.123 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.322 -13.159 -12.573 1.00 0.00 H new ATOM 0 HB3 ALA A 130 4.981 -11.415 -12.671 1.00 0.00 H new ATOM 2088 N THR A 131 7.058 -9.502 -12.927 1.00 0.00 N ATOM 2089 CA THR A 131 7.417 -8.217 -13.515 1.00 0.00 C ATOM 2090 C THR A 131 8.928 -8.017 -13.520 1.00 0.00 C ATOM 2091 O THR A 131 9.491 -7.494 -14.480 1.00 0.00 O ATOM 2092 CB THR A 131 6.758 -7.049 -12.757 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.307 -6.949 -11.439 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.251 -7.241 -12.671 1.00 0.00 C ATOM 0 H THR A 131 6.430 -9.438 -12.126 1.00 0.00 H new ATOM 0 HA THR A 131 7.052 -8.226 -14.542 1.00 0.00 H new ATOM 0 HB THR A 131 6.960 -6.129 -13.305 1.00 0.00 H new ATOM 0 HG1 THR A 131 7.089 -7.758 -10.931 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.808 -6.404 -12.132 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.832 -7.287 -13.676 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.032 -8.169 -12.143 1.00 0.00 H new ATOM 2102 N GLY A 132 9.580 -8.438 -12.440 1.00 0.00 N ATOM 2103 CA GLY A 132 11.021 -8.297 -12.342 1.00 0.00 C ATOM 2104 C GLY A 132 11.430 -7.117 -11.482 1.00 0.00 C ATOM 2105 O GLY A 132 12.545 -6.610 -11.603 1.00 0.00 O ATOM 0 H GLY A 132 9.136 -8.874 -11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.445 -9.211 -11.926 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.440 -8.177 -13.341 1.00 0.00 H new ATOM 2109 N ILE A 133 10.525 -6.679 -10.613 1.00 0.00 N ATOM 2110 CA ILE A 133 10.798 -5.551 -9.731 1.00 0.00 C ATOM 2111 C ILE A 133 11.668 -5.974 -8.552 1.00 0.00 C ATOM 2112 O ILE A 133 11.509 -7.068 -8.011 1.00 0.00 O ATOM 2113 CB ILE A 133 9.496 -4.926 -9.196 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.667 -4.357 -10.349 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.809 -3.842 -8.175 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.226 -4.085 -9.980 1.00 0.00 C ATOM 0 H ILE A 133 9.597 -7.088 -10.501 1.00 0.00 H new ATOM 0 HA ILE A 133 11.330 -4.808 -10.325 1.00 0.00 H new ATOM 0 HB ILE A 133 8.912 -5.704 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 133 9.126 -3.431 -10.694 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.694 -5.056 -11.185 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.879 -3.410 -7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.363 -4.275 -7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.410 -3.063 -8.644 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.699 -3.683 -10.845 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.750 -5.013 -9.664 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.189 -3.362 -9.165 1.00 0.00 H new ATOM 2128 N ARG A 134 12.586 -5.098 -8.157 1.00 0.00 N ATOM 2129 CA ARG A 134 13.481 -5.379 -7.041 1.00 0.00 C ATOM 2130 C ARG A 134 12.717 -6.002 -5.875 1.00 0.00 C ATOM 2131 O ARG A 134 11.912 -5.350 -5.210 1.00 0.00 O ATOM 2132 CB ARG A 134 14.177 -4.097 -6.581 1.00 0.00 C ATOM 2133 CG ARG A 134 13.214 -2.991 -6.181 1.00 0.00 C ATOM 2134 CD ARG A 134 13.814 -1.615 -6.427 1.00 0.00 C ATOM 2135 NE ARG A 134 14.877 -1.303 -5.476 1.00 0.00 N ATOM 2136 CZ ARG A 134 15.797 -0.368 -5.683 1.00 0.00 C ATOM 2137 NH1 ARG A 134 15.784 0.344 -6.801 1.00 0.00 N ATOM 2138 NH2 ARG A 134 16.733 -0.143 -4.770 1.00 0.00 N ATOM 0 H ARG A 134 12.729 -4.187 -8.593 1.00 0.00 H new ATOM 0 HA ARG A 134 14.233 -6.090 -7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.823 -4.328 -5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.820 -3.735 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 134 12.287 -3.092 -6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.957 -3.094 -5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 134 14.210 -1.568 -7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.031 -0.860 -6.356 1.00 0.00 H new ATOM 0 HE ARG A 134 14.915 -1.832 -4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 134 15.066 0.174 -7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 134 16.492 1.061 -6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 134 16.746 -0.688 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 134 17.439 0.575 -4.930 1.00 0.00 H new ATOM 2152 N PRO A 135 12.974 -7.294 -5.622 1.00 0.00 N ATOM 2153 CA PRO A 135 12.322 -8.033 -4.537 1.00 0.00 C ATOM 2154 C PRO A 135 12.784 -7.569 -3.159 1.00 0.00 C ATOM 2155 O PRO A 135 13.962 -7.276 -2.955 1.00 0.00 O ATOM 2156 CB PRO A 135 12.751 -9.481 -4.785 1.00 0.00 C ATOM 2157 CG PRO A 135 14.036 -9.372 -5.530 1.00 0.00 C ATOM 2158 CD PRO A 135 13.923 -8.132 -6.374 1.00 0.00 C ATOM 0 HA PRO A 135 11.242 -7.888 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.881 -10.022 -3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 135 12.002 -10.022 -5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.880 -9.301 -4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 135 14.203 -10.252 -6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.887 -7.638 -6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.554 -8.359 -7.374 1.00 0.00 H new