USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 978 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 123 CYS SG : rot -141:sc= -1.74 USER MOD Set 1.2: A 128 CYS SG : rot 80:sc= -0.252 USER MOD Set 1.3: A 141 HIS : no HE2:sc= -3.86! C(o=-11!,f=-11!) USER MOD Set 1.4: A 142 MET CE :methyl -139:sc= -1.88 (180deg=-0.343) USER MOD Set 1.5: A 145 HIS : no HD1:sc= -3.46 K(o=-11,f=-13) USER MOD Set 2.1: A 93 CYS SG : rot 132:sc= -0.919 USER MOD Set 2.2: A 98 CYS SG : rot 170:sc= -1.17 USER MOD Set 2.3: A 111 HIS : no HE2:sc= -5.33! C(o=-7.4!,f=-6.7!) USER MOD Set 3.1: A 60 CYS SG : rot -132:sc= 0.646 USER MOD Set 3.2: A 65 CYS SG : rot 85:sc= -1.71 USER MOD Set 3.3: A 81 HIS : no HE2:sc= -0.663 K(o=-6.3,f=-11) USER MOD Set 3.4: A 85 HIS : no HE2:sc= -4.54! C(o=-6.3!,f=-11!) USER MOD Set 4.1: A 57 ASN : amide:sc= -0.699 K(o=-0.62,f=-2.3) USER MOD Set 4.2: A 71 SER OG : rot 170:sc= 0.0787 USER MOD Set 5.1: A 16 CYS SG : rot 25:sc= 0.561 USER MOD Set 5.2: A 31 CYS SG : rot -127:sc= 0.939 USER MOD Set 5.3: A 44 HIS : no HD1:sc= -5.22! C(o=-12!,f=-15!) USER MOD Set 5.4: A 49 HIS : no HD1:sc= -7.8 K(o=-12,f=-12!) USER MOD Set 6.1: A 23 GLN : amide:sc= -1.59! C(o=-0.43!,f=-9.2!) USER MOD Set 6.2: A 25 SER OG : rot 69:sc= 1.15 USER MOD Set 7.1: A 17 LYS NZ :NH3+ 159:sc= -0.72 (180deg=-1.14) USER MOD Set 7.2: A 30 SER OG : rot -159:sc=-0.00458 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 29:sc= 0.35 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 38 MET CE :methyl 175:sc= -3.28 (180deg=-3.38) USER MOD Single : A 39 HIS : no HD1:sc= -0.0181 X(o=-0.018,f=-0.21) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 90:sc= 1.13 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.91 K(o=-0.91,f=-4.8!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 58 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-2.9!) USER MOD Single : A 61 TYR OH : rot 180:sc=-0.00501 USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= -0.889 (180deg=-1.49) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.13) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0.0485 USER MOD Single : A 107 ASN : amide:sc= -1.85 K(o=-1.8,f=-0.43) USER MOD Single : A 109 LYS NZ :NH3+ 154:sc= -0.247 (180deg=-1.11) USER MOD Single : A 112 LYS NZ :NH3+ -122:sc= -1.38 (180deg=-1.84) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -1.14 K(o=-1.1,f=-7.8!) USER MOD Single : A 135 SER OG : rot 21:sc= 0.488 USER MOD Single : A 136 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 156:sc= -0.643 (180deg=-1.15) USER MOD Single : A 143 HIS : no HD1:sc= -7.88! C(o=-7.9!,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 138 N GLN A 12 -9.327 5.839 -33.212 1.00 0.00 N ATOM 139 CA GLN A 12 -8.844 5.560 -31.865 1.00 0.00 C ATOM 140 C GLN A 12 -9.356 6.601 -30.876 1.00 0.00 C ATOM 141 O GLN A 12 -9.459 7.783 -31.203 1.00 0.00 O ATOM 142 CB GLN A 12 -7.315 5.529 -31.845 1.00 0.00 C ATOM 143 CG GLN A 12 -6.682 6.883 -31.569 1.00 0.00 C ATOM 144 CD GLN A 12 -5.288 7.006 -32.151 1.00 0.00 C ATOM 145 OE1 GLN A 12 -4.292 6.797 -31.457 1.00 0.00 O ATOM 146 NE2 GLN A 12 -5.209 7.346 -33.432 1.00 0.00 N ATOM 0 HA GLN A 12 -9.224 4.583 -31.565 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.984 4.821 -31.085 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.955 5.158 -32.805 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.315 7.667 -31.984 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.638 7.046 -30.492 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.060 7.510 -33.970 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.297 7.443 -33.879 1.00 0.00 H new ATOM 155 N GLU A 13 -9.676 6.153 -29.666 1.00 0.00 N ATOM 156 CA GLU A 13 -10.179 7.048 -28.629 1.00 0.00 C ATOM 157 C GLU A 13 -9.028 7.712 -27.879 1.00 0.00 C ATOM 158 O GLU A 13 -8.069 7.051 -27.478 1.00 0.00 O ATOM 159 CB GLU A 13 -11.066 6.279 -27.648 1.00 0.00 C ATOM 160 CG GLU A 13 -10.286 5.540 -26.573 1.00 0.00 C ATOM 161 CD GLU A 13 -11.058 4.371 -25.993 1.00 0.00 C ATOM 162 OE1 GLU A 13 -11.663 3.611 -26.778 1.00 0.00 O ATOM 163 OE2 GLU A 13 -11.058 4.217 -24.753 1.00 0.00 O ATOM 0 H GLU A 13 -9.596 5.177 -29.379 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.772 7.825 -29.111 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.755 6.976 -27.171 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.671 5.562 -28.203 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.348 5.178 -26.994 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.030 6.234 -25.773 1.00 0.00 H new ATOM 170 N LEU A 14 -9.130 9.024 -27.694 1.00 0.00 N ATOM 171 CA LEU A 14 -8.098 9.780 -26.992 1.00 0.00 C ATOM 172 C LEU A 14 -8.562 10.163 -25.591 1.00 0.00 C ATOM 173 O LEU A 14 -9.743 10.050 -25.265 1.00 0.00 O ATOM 174 CB LEU A 14 -7.733 11.038 -27.783 1.00 0.00 C ATOM 175 CG LEU A 14 -7.581 10.860 -29.294 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.473 12.212 -29.982 1.00 0.00 C ATOM 177 CD2 LEU A 14 -6.366 10.000 -29.610 1.00 0.00 C ATOM 0 H LEU A 14 -9.916 9.586 -28.020 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.216 9.146 -26.902 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.499 11.792 -27.601 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.797 11.433 -27.388 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.468 10.353 -29.672 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.365 12.066 -31.057 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.373 12.794 -29.783 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.603 12.746 -29.600 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.273 9.884 -30.690 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.469 10.480 -29.218 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.484 9.020 -29.148 1.00 0.00 H new ATOM 189 N SER A 15 -7.624 10.619 -24.767 1.00 0.00 N ATOM 190 CA SER A 15 -7.937 11.018 -23.399 1.00 0.00 C ATOM 191 C SER A 15 -6.944 12.063 -22.898 1.00 0.00 C ATOM 192 O SER A 15 -5.751 11.996 -23.195 1.00 0.00 O ATOM 193 CB SER A 15 -7.922 9.800 -22.474 1.00 0.00 C ATOM 194 OG SER A 15 -9.179 9.145 -22.473 1.00 0.00 O ATOM 0 H SER A 15 -6.642 10.721 -25.022 1.00 0.00 H new ATOM 0 HA SER A 15 -8.935 11.457 -23.394 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.146 9.105 -22.795 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.670 10.112 -21.460 1.00 0.00 H new ATOM 0 HG SER A 15 -9.622 9.287 -23.335 1.00 0.00 H new ATOM 200 N CYS A 16 -7.446 13.029 -22.136 1.00 0.00 N ATOM 201 CA CYS A 16 -6.607 14.090 -21.593 1.00 0.00 C ATOM 202 C CYS A 16 -6.809 14.226 -20.086 1.00 0.00 C ATOM 203 O CYS A 16 -7.736 14.895 -19.630 1.00 0.00 O ATOM 204 CB CYS A 16 -6.919 15.419 -22.282 1.00 0.00 C ATOM 205 SG CYS A 16 -8.648 15.962 -22.102 1.00 0.00 S ATOM 0 H CYS A 16 -8.431 13.099 -21.880 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.566 13.827 -21.780 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.263 16.189 -21.876 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.686 15.329 -23.343 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.158 15.437 -21.027 1.00 0.00 H new ATOM 210 N LYS A 17 -5.934 13.585 -19.318 1.00 0.00 N ATOM 211 CA LYS A 17 -6.013 13.635 -17.863 1.00 0.00 C ATOM 212 C LYS A 17 -5.471 14.959 -17.333 1.00 0.00 C ATOM 213 O LYS A 17 -4.260 15.134 -17.198 1.00 0.00 O ATOM 214 CB LYS A 17 -5.233 12.470 -17.249 1.00 0.00 C ATOM 215 CG LYS A 17 -5.333 11.183 -18.049 1.00 0.00 C ATOM 216 CD LYS A 17 -6.779 10.812 -18.331 1.00 0.00 C ATOM 217 CE LYS A 17 -7.384 10.016 -17.186 1.00 0.00 C ATOM 218 NZ LYS A 17 -8.060 10.897 -16.194 1.00 0.00 N ATOM 0 H LYS A 17 -5.162 13.025 -19.679 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.062 13.552 -17.578 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.184 12.752 -17.161 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.601 12.290 -16.239 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.795 11.296 -18.990 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.849 10.374 -17.501 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.363 11.718 -18.494 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.833 10.228 -19.250 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.102 9.298 -17.582 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.601 9.443 -16.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.744 10.339 -15.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.351 11.306 -15.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.558 11.662 -16.692 1.00 0.00 H new ATOM 232 N TRP A 18 -6.374 15.885 -17.033 1.00 0.00 N ATOM 233 CA TRP A 18 -5.985 17.192 -16.516 1.00 0.00 C ATOM 234 C TRP A 18 -6.316 17.311 -15.032 1.00 0.00 C ATOM 235 O TRP A 18 -7.465 17.135 -14.628 1.00 0.00 O ATOM 236 CB TRP A 18 -6.689 18.302 -17.299 1.00 0.00 C ATOM 237 CG TRP A 18 -6.006 19.632 -17.187 1.00 0.00 C ATOM 238 CD1 TRP A 18 -6.113 20.524 -16.158 1.00 0.00 C ATOM 239 CD2 TRP A 18 -5.113 20.220 -18.139 1.00 0.00 C ATOM 240 NE1 TRP A 18 -5.340 21.631 -16.414 1.00 0.00 N ATOM 241 CE2 TRP A 18 -4.716 21.469 -17.622 1.00 0.00 C ATOM 242 CE3 TRP A 18 -4.609 19.812 -19.377 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -3.840 22.311 -18.302 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -3.740 20.649 -20.050 1.00 0.00 C ATOM 245 CH2 TRP A 18 -3.362 21.887 -19.512 1.00 0.00 C ATOM 0 H TRP A 18 -7.380 15.755 -17.139 1.00 0.00 H new ATOM 0 HA TRP A 18 -4.907 17.298 -16.638 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.744 18.017 -18.350 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.714 18.396 -16.940 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.716 20.380 -15.274 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.246 22.442 -15.803 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.894 18.860 -19.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.548 23.265 -17.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.345 20.344 -21.008 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.681 22.518 -20.063 1.00 0.00 H new ATOM 256 N ILE A 19 -5.302 17.611 -14.227 1.00 0.00 N ATOM 257 CA ILE A 19 -5.487 17.754 -12.788 1.00 0.00 C ATOM 258 C ILE A 19 -5.012 19.120 -12.307 1.00 0.00 C ATOM 259 O ILE A 19 -3.813 19.348 -12.138 1.00 0.00 O ATOM 260 CB ILE A 19 -4.734 16.658 -12.012 1.00 0.00 C ATOM 261 CG1 ILE A 19 -5.142 15.272 -12.517 1.00 0.00 C ATOM 262 CG2 ILE A 19 -5.004 16.784 -10.520 1.00 0.00 C ATOM 263 CD1 ILE A 19 -4.945 14.174 -11.496 1.00 0.00 C ATOM 0 H ILE A 19 -4.345 17.760 -14.547 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.555 17.655 -12.595 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.665 16.785 -12.180 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.190 15.297 -12.814 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.563 15.035 -13.410 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.465 16.002 -9.985 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.668 17.760 -10.171 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.073 16.680 -10.334 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.255 13.220 -11.923 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.893 14.122 -11.216 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.545 14.388 -10.612 1.00 0.00 H new ATOM 275 N ASP A 20 -5.958 20.026 -12.085 1.00 0.00 N ATOM 276 CA ASP A 20 -5.637 21.370 -11.619 1.00 0.00 C ATOM 277 C ASP A 20 -5.207 21.349 -10.155 1.00 0.00 C ATOM 278 O ASP A 20 -5.822 20.676 -9.328 1.00 0.00 O ATOM 279 CB ASP A 20 -6.841 22.296 -11.797 1.00 0.00 C ATOM 280 CG ASP A 20 -6.740 23.547 -10.947 1.00 0.00 C ATOM 281 OD1 ASP A 20 -5.664 24.180 -10.950 1.00 0.00 O ATOM 282 OD2 ASP A 20 -7.736 23.892 -10.277 1.00 0.00 O ATOM 0 H ASP A 20 -6.954 19.854 -12.220 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.808 21.747 -12.217 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.926 22.579 -12.846 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.752 21.757 -11.538 1.00 0.00 H new ATOM 287 N GLU A 21 -4.149 22.090 -9.844 1.00 0.00 N ATOM 288 CA GLU A 21 -3.637 22.155 -8.480 1.00 0.00 C ATOM 289 C GLU A 21 -4.475 23.104 -7.628 1.00 0.00 C ATOM 290 O GLU A 21 -4.574 22.941 -6.413 1.00 0.00 O ATOM 291 CB GLU A 21 -2.175 22.609 -8.481 1.00 0.00 C ATOM 292 CG GLU A 21 -1.325 21.920 -9.535 1.00 0.00 C ATOM 293 CD GLU A 21 -0.811 20.569 -9.079 1.00 0.00 C ATOM 294 OE1 GLU A 21 -0.347 20.470 -7.923 1.00 0.00 O ATOM 295 OE2 GLU A 21 -0.872 19.610 -9.876 1.00 0.00 O ATOM 0 H GLU A 21 -3.630 22.654 -10.517 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.700 21.156 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.138 23.686 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.744 22.420 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.913 21.793 -10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.479 22.559 -9.789 1.00 0.00 H new ATOM 302 N ALA A 22 -5.076 24.096 -8.276 1.00 0.00 N ATOM 303 CA ALA A 22 -5.907 25.071 -7.580 1.00 0.00 C ATOM 304 C ALA A 22 -7.371 24.646 -7.585 1.00 0.00 C ATOM 305 O ALA A 22 -8.267 25.476 -7.429 1.00 0.00 O ATOM 306 CB ALA A 22 -5.751 26.445 -8.214 1.00 0.00 C ATOM 0 H ALA A 22 -5.003 24.246 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.574 25.122 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.377 27.163 -7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.709 26.758 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.055 26.400 -9.260 1.00 0.00 H new ATOM 312 N GLN A 23 -7.607 23.351 -7.764 1.00 0.00 N ATOM 313 CA GLN A 23 -8.964 22.818 -7.790 1.00 0.00 C ATOM 314 C GLN A 23 -9.494 22.608 -6.375 1.00 0.00 C ATOM 315 O GLN A 23 -8.787 22.096 -5.506 1.00 0.00 O ATOM 316 CB GLN A 23 -9.001 21.498 -8.562 1.00 0.00 C ATOM 317 CG GLN A 23 -8.561 20.299 -7.738 1.00 0.00 C ATOM 318 CD GLN A 23 -8.806 18.982 -8.448 1.00 0.00 C ATOM 319 OE1 GLN A 23 -9.873 18.382 -8.316 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.816 18.524 -9.206 1.00 0.00 N ATOM 0 H GLN A 23 -6.876 22.651 -7.893 1.00 0.00 H new ATOM 0 HA GLN A 23 -9.603 23.544 -8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.015 21.327 -8.925 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.359 21.581 -9.439 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.500 20.391 -7.507 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.095 20.300 -6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.948 19.054 -9.287 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.923 17.642 -9.707 1.00 0.00 H new ATOM 329 N LEU A 24 -10.741 23.007 -6.151 1.00 0.00 N ATOM 330 CA LEU A 24 -11.366 22.864 -4.841 1.00 0.00 C ATOM 331 C LEU A 24 -12.078 21.520 -4.722 1.00 0.00 C ATOM 332 O LEU A 24 -12.631 21.190 -3.673 1.00 0.00 O ATOM 333 CB LEU A 24 -12.358 24.003 -4.599 1.00 0.00 C ATOM 334 CG LEU A 24 -11.751 25.346 -4.193 1.00 0.00 C ATOM 335 CD1 LEU A 24 -12.811 26.437 -4.208 1.00 0.00 C ATOM 336 CD2 LEU A 24 -11.106 25.246 -2.819 1.00 0.00 C ATOM 0 H LEU A 24 -11.339 23.432 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.582 22.908 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.940 24.150 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.055 23.692 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.979 25.608 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.361 27.386 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.227 26.526 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.606 26.182 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.679 26.211 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.859 24.961 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.317 24.494 -2.841 1.00 0.00 H new ATOM 348 N SER A 25 -12.059 20.748 -5.804 1.00 0.00 N ATOM 349 CA SER A 25 -12.704 19.441 -5.821 1.00 0.00 C ATOM 350 C SER A 25 -11.833 18.395 -5.132 1.00 0.00 C ATOM 351 O SER A 25 -10.641 18.278 -5.418 1.00 0.00 O ATOM 352 CB SER A 25 -12.994 19.010 -7.261 1.00 0.00 C ATOM 353 OG SER A 25 -12.028 19.537 -8.154 1.00 0.00 O ATOM 0 H SER A 25 -11.604 21.005 -6.680 1.00 0.00 H new ATOM 0 HA SER A 25 -13.645 19.521 -5.276 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.998 17.922 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.988 19.350 -7.553 1.00 0.00 H new ATOM 0 HG SER A 25 -11.165 19.101 -7.997 1.00 0.00 H new ATOM 359 N ARG A 26 -12.436 17.638 -4.221 1.00 0.00 N ATOM 360 CA ARG A 26 -11.716 16.603 -3.489 1.00 0.00 C ATOM 361 C ARG A 26 -12.544 15.325 -3.400 1.00 0.00 C ATOM 362 O ARG A 26 -13.732 15.346 -3.074 1.00 0.00 O ATOM 363 CB ARG A 26 -11.363 17.094 -2.084 1.00 0.00 C ATOM 364 CG ARG A 26 -10.087 16.484 -1.528 1.00 0.00 C ATOM 365 CD ARG A 26 -8.873 16.888 -2.349 1.00 0.00 C ATOM 366 NE ARG A 26 -7.622 16.490 -1.709 1.00 0.00 N ATOM 367 CZ ARG A 26 -7.030 17.194 -0.751 1.00 0.00 C ATOM 368 NH1 ARG A 26 -7.573 18.326 -0.324 1.00 0.00 N ATOM 369 NH2 ARG A 26 -5.893 16.766 -0.218 1.00 0.00 N ATOM 0 H ARG A 26 -13.422 17.722 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.796 16.383 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.259 18.179 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.189 16.865 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.951 16.802 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.176 15.398 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.936 16.432 -3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.878 17.968 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.179 15.624 -2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.447 18.658 -0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.116 18.865 0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.473 15.896 -0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.439 17.307 0.518 1.00 0.00 H new ATOM 383 N PRO A 27 -11.905 14.183 -3.695 1.00 0.00 N ATOM 384 CA PRO A 27 -10.492 14.145 -4.084 1.00 0.00 C ATOM 385 C PRO A 27 -10.254 14.751 -5.464 1.00 0.00 C ATOM 386 O PRO A 27 -11.195 14.973 -6.226 1.00 0.00 O ATOM 387 CB PRO A 27 -10.167 12.650 -4.094 1.00 0.00 C ATOM 388 CG PRO A 27 -11.474 11.979 -4.337 1.00 0.00 C ATOM 389 CD PRO A 27 -12.512 12.842 -3.673 1.00 0.00 C ATOM 0 HA PRO A 27 -9.867 14.727 -3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.446 12.407 -4.875 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.730 12.334 -3.147 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.671 11.883 -5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.479 10.972 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.458 12.820 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.719 12.511 -2.655 1.00 0.00 H new ATOM 397 N LYS A 28 -8.991 15.015 -5.779 1.00 0.00 N ATOM 398 CA LYS A 28 -8.628 15.593 -7.067 1.00 0.00 C ATOM 399 C LYS A 28 -9.253 14.804 -8.213 1.00 0.00 C ATOM 400 O LYS A 28 -9.216 13.574 -8.226 1.00 0.00 O ATOM 401 CB LYS A 28 -7.106 15.623 -7.225 1.00 0.00 C ATOM 402 CG LYS A 28 -6.395 16.394 -6.126 1.00 0.00 C ATOM 403 CD LYS A 28 -6.214 17.856 -6.497 1.00 0.00 C ATOM 404 CE LYS A 28 -4.981 18.062 -7.363 1.00 0.00 C ATOM 405 NZ LYS A 28 -3.735 18.125 -6.549 1.00 0.00 N ATOM 0 H LYS A 28 -8.201 14.838 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.011 16.613 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.731 14.600 -7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.858 16.068 -8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.967 16.321 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.421 15.943 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.097 18.210 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.127 18.455 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.903 17.248 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.088 18.984 -7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.917 18.266 -7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.798 18.918 -5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.618 17.235 -6.023 1.00 0.00 H new ATOM 419 N LYS A 29 -9.826 15.520 -9.175 1.00 0.00 N ATOM 420 CA LYS A 29 -10.457 14.888 -10.327 1.00 0.00 C ATOM 421 C LYS A 29 -9.678 15.184 -11.605 1.00 0.00 C ATOM 422 O LYS A 29 -8.860 16.104 -11.645 1.00 0.00 O ATOM 423 CB LYS A 29 -11.901 15.373 -10.474 1.00 0.00 C ATOM 424 CG LYS A 29 -12.807 14.939 -9.334 1.00 0.00 C ATOM 425 CD LYS A 29 -14.262 14.887 -9.767 1.00 0.00 C ATOM 426 CE LYS A 29 -14.559 13.632 -10.573 1.00 0.00 C ATOM 427 NZ LYS A 29 -15.999 13.539 -10.944 1.00 0.00 N ATOM 0 H LYS A 29 -9.866 16.539 -9.179 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.457 13.810 -10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.905 16.461 -10.537 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.308 14.998 -11.413 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.498 13.957 -8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.699 15.631 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.906 14.917 -8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.497 15.768 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.950 13.628 -11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.276 12.753 -9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.161 12.670 -11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.579 13.517 -10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.264 14.365 -11.518 1.00 0.00 H new ATOM 441 N SER A 30 -9.938 14.401 -12.646 1.00 0.00 N ATOM 442 CA SER A 30 -9.260 14.578 -13.925 1.00 0.00 C ATOM 443 C SER A 30 -10.259 14.912 -15.029 1.00 0.00 C ATOM 444 O SER A 30 -11.401 14.452 -15.008 1.00 0.00 O ATOM 445 CB SER A 30 -8.480 13.314 -14.292 1.00 0.00 C ATOM 446 OG SER A 30 -9.111 12.157 -13.772 1.00 0.00 O ATOM 0 H SER A 30 -10.614 13.637 -12.629 1.00 0.00 H new ATOM 0 HA SER A 30 -8.563 15.410 -13.826 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.402 13.233 -15.376 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.464 13.384 -13.903 1.00 0.00 H new ATOM 0 HG SER A 30 -8.461 11.426 -13.719 1.00 0.00 H new ATOM 452 N CYS A 31 -9.820 15.716 -15.992 1.00 0.00 N ATOM 453 CA CYS A 31 -10.674 16.113 -17.104 1.00 0.00 C ATOM 454 C CYS A 31 -11.281 14.891 -17.788 1.00 0.00 C ATOM 455 O CYS A 31 -10.576 14.111 -18.429 1.00 0.00 O ATOM 456 CB CYS A 31 -9.876 16.934 -18.119 1.00 0.00 C ATOM 457 SG CYS A 31 -10.801 17.349 -19.632 1.00 0.00 S ATOM 0 H CYS A 31 -8.878 16.105 -16.024 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.484 16.725 -16.707 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.545 17.857 -17.644 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.980 16.379 -18.395 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.113 16.988 -20.674 1.00 0.00 H new ATOM 462 N ASP A 32 -12.592 14.731 -17.646 1.00 0.00 N ATOM 463 CA ASP A 32 -13.294 13.605 -18.250 1.00 0.00 C ATOM 464 C ASP A 32 -13.786 13.959 -19.650 1.00 0.00 C ATOM 465 O ASP A 32 -14.839 14.575 -19.812 1.00 0.00 O ATOM 466 CB ASP A 32 -14.474 13.183 -17.374 1.00 0.00 C ATOM 467 CG ASP A 32 -14.030 12.585 -16.053 1.00 0.00 C ATOM 468 OD1 ASP A 32 -13.031 11.836 -16.048 1.00 0.00 O ATOM 469 OD2 ASP A 32 -14.682 12.865 -15.025 1.00 0.00 O ATOM 0 H ASP A 32 -13.190 15.367 -17.118 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.594 12.773 -18.329 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.108 14.048 -17.183 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.081 12.456 -17.913 1.00 0.00 H new ATOM 474 N ARG A 33 -13.015 13.566 -20.660 1.00 0.00 N ATOM 475 CA ARG A 33 -13.371 13.844 -22.046 1.00 0.00 C ATOM 476 C ARG A 33 -12.836 12.757 -22.973 1.00 0.00 C ATOM 477 O ARG A 33 -11.952 11.986 -22.599 1.00 0.00 O ATOM 478 CB ARG A 33 -12.823 15.208 -22.472 1.00 0.00 C ATOM 479 CG ARG A 33 -13.644 15.881 -23.559 1.00 0.00 C ATOM 480 CD ARG A 33 -15.056 16.188 -23.083 1.00 0.00 C ATOM 481 NE ARG A 33 -15.673 17.262 -23.856 1.00 0.00 N ATOM 482 CZ ARG A 33 -16.107 17.114 -25.103 1.00 0.00 C ATOM 483 NH1 ARG A 33 -15.992 15.943 -25.714 1.00 0.00 N ATOM 484 NH2 ARG A 33 -16.658 18.139 -25.741 1.00 0.00 N ATOM 0 H ARG A 33 -12.140 13.054 -20.544 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.458 13.858 -22.120 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.783 15.862 -21.601 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.799 15.085 -22.825 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.154 16.805 -23.867 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.687 15.235 -24.436 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.668 15.289 -23.159 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.031 16.468 -22.030 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.777 18.176 -23.415 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.569 15.153 -25.227 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.326 15.832 -26.671 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.749 19.041 -25.274 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.991 18.024 -26.698 1.00 0.00 H new ATOM 498 N THR A 34 -13.379 12.700 -24.185 1.00 0.00 N ATOM 499 CA THR A 34 -12.958 11.707 -25.166 1.00 0.00 C ATOM 500 C THR A 34 -13.039 12.264 -26.582 1.00 0.00 C ATOM 501 O THR A 34 -13.861 13.134 -26.872 1.00 0.00 O ATOM 502 CB THR A 34 -13.818 10.432 -25.078 1.00 0.00 C ATOM 503 OG1 THR A 34 -15.186 10.779 -24.840 1.00 0.00 O ATOM 504 CG2 THR A 34 -13.320 9.520 -23.967 1.00 0.00 C ATOM 0 H THR A 34 -14.112 13.330 -24.511 1.00 0.00 H new ATOM 0 HA THR A 34 -11.923 11.455 -24.937 1.00 0.00 H new ATOM 0 HB THR A 34 -13.739 9.900 -26.026 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.726 9.963 -24.787 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.942 8.626 -23.924 1.00 0.00 H new ATOM 0 HG22 THR A 34 -12.287 9.234 -24.167 1.00 0.00 H new ATOM 0 HG23 THR A 34 -13.373 10.046 -23.014 1.00 0.00 H new ATOM 512 N PHE A 35 -12.181 11.758 -27.462 1.00 0.00 N ATOM 513 CA PHE A 35 -12.156 12.206 -28.850 1.00 0.00 C ATOM 514 C PHE A 35 -11.798 11.055 -29.786 1.00 0.00 C ATOM 515 O PHE A 35 -11.359 9.994 -29.343 1.00 0.00 O ATOM 516 CB PHE A 35 -11.153 13.348 -29.021 1.00 0.00 C ATOM 517 CG PHE A 35 -11.373 14.487 -28.067 1.00 0.00 C ATOM 518 CD1 PHE A 35 -12.226 15.528 -28.394 1.00 0.00 C ATOM 519 CD2 PHE A 35 -10.725 14.517 -26.842 1.00 0.00 C ATOM 520 CE1 PHE A 35 -12.431 16.577 -27.519 1.00 0.00 C ATOM 521 CE2 PHE A 35 -10.926 15.564 -25.962 1.00 0.00 C ATOM 522 CZ PHE A 35 -11.779 16.596 -26.301 1.00 0.00 C ATOM 0 H PHE A 35 -11.494 11.038 -27.239 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.152 12.565 -29.108 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.144 12.959 -28.883 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.213 13.723 -30.043 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.737 15.519 -29.345 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.056 13.714 -26.572 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -13.100 17.381 -27.787 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -10.416 15.575 -25.010 1.00 0.00 H new ATOM 0 HZ PHE A 35 -11.936 17.416 -25.616 1.00 0.00 H new ATOM 532 N SER A 36 -11.990 11.274 -31.083 1.00 0.00 N ATOM 533 CA SER A 36 -11.693 10.254 -32.082 1.00 0.00 C ATOM 534 C SER A 36 -10.490 10.659 -32.929 1.00 0.00 C ATOM 535 O SER A 36 -9.762 9.808 -33.442 1.00 0.00 O ATOM 536 CB SER A 36 -12.908 10.021 -32.981 1.00 0.00 C ATOM 537 OG SER A 36 -14.008 9.530 -32.234 1.00 0.00 O ATOM 0 H SER A 36 -12.350 12.148 -31.466 1.00 0.00 H new ATOM 0 HA SER A 36 -11.454 9.328 -31.560 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.185 10.954 -33.472 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.652 9.311 -33.767 1.00 0.00 H new ATOM 0 HG SER A 36 -14.773 9.391 -32.831 1.00 0.00 H new ATOM 543 N THR A 37 -10.287 11.965 -33.072 1.00 0.00 N ATOM 544 CA THR A 37 -9.174 12.484 -33.857 1.00 0.00 C ATOM 545 C THR A 37 -8.229 13.311 -32.992 1.00 0.00 C ATOM 546 O THR A 37 -8.658 13.978 -32.051 1.00 0.00 O ATOM 547 CB THR A 37 -9.670 13.352 -35.029 1.00 0.00 C ATOM 548 OG1 THR A 37 -10.351 14.508 -34.528 1.00 0.00 O ATOM 549 CG2 THR A 37 -10.603 12.560 -35.932 1.00 0.00 C ATOM 0 H THR A 37 -10.879 12.683 -32.654 1.00 0.00 H new ATOM 0 HA THR A 37 -8.638 11.622 -34.254 1.00 0.00 H new ATOM 0 HB THR A 37 -8.804 13.665 -35.613 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.662 15.056 -35.279 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.940 13.194 -36.752 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.073 11.697 -36.335 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.465 12.221 -35.357 1.00 0.00 H new ATOM 557 N MET A 38 -6.942 13.262 -33.318 1.00 0.00 N ATOM 558 CA MET A 38 -5.936 14.009 -32.570 1.00 0.00 C ATOM 559 C MET A 38 -6.181 15.511 -32.680 1.00 0.00 C ATOM 560 O MET A 38 -6.036 16.246 -31.703 1.00 0.00 O ATOM 561 CB MET A 38 -4.535 13.671 -33.081 1.00 0.00 C ATOM 562 CG MET A 38 -3.430 14.453 -32.389 1.00 0.00 C ATOM 563 SD MET A 38 -3.411 14.197 -30.605 1.00 0.00 S ATOM 564 CE MET A 38 -3.786 12.448 -30.510 1.00 0.00 C ATOM 0 H MET A 38 -6.571 12.714 -34.094 1.00 0.00 H new ATOM 0 HA MET A 38 -6.012 13.722 -31.521 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.355 12.605 -32.944 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.491 13.867 -34.152 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.466 14.158 -32.805 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.556 15.515 -32.598 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.723 12.118 -29.473 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.794 12.271 -30.886 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.070 11.889 -31.113 1.00 0.00 H new ATOM 574 N HIS A 39 -6.554 15.959 -33.874 1.00 0.00 N ATOM 575 CA HIS A 39 -6.820 17.374 -34.110 1.00 0.00 C ATOM 576 C HIS A 39 -7.734 17.943 -33.029 1.00 0.00 C ATOM 577 O HIS A 39 -7.536 19.064 -32.564 1.00 0.00 O ATOM 578 CB HIS A 39 -7.454 17.573 -35.487 1.00 0.00 C ATOM 579 CG HIS A 39 -6.475 17.474 -36.617 1.00 0.00 C ATOM 580 ND1 HIS A 39 -5.135 17.211 -36.430 1.00 0.00 N ATOM 581 CD2 HIS A 39 -6.649 17.603 -37.953 1.00 0.00 C ATOM 582 CE1 HIS A 39 -4.526 17.184 -37.603 1.00 0.00 C ATOM 583 NE2 HIS A 39 -5.423 17.419 -38.543 1.00 0.00 N ATOM 0 H HIS A 39 -6.679 15.364 -34.693 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.870 17.907 -34.075 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.237 16.828 -35.629 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.935 18.550 -35.519 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.579 17.812 -38.461 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.474 17.001 -37.765 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.236 17.458 -39.545 1.00 0.00 H new ATOM 591 N GLU A 40 -8.736 17.162 -32.637 1.00 0.00 N ATOM 592 CA GLU A 40 -9.681 17.590 -31.612 1.00 0.00 C ATOM 593 C GLU A 40 -9.014 17.631 -30.240 1.00 0.00 C ATOM 594 O GLU A 40 -9.133 18.615 -29.509 1.00 0.00 O ATOM 595 CB GLU A 40 -10.889 16.651 -31.577 1.00 0.00 C ATOM 596 CG GLU A 40 -11.690 16.640 -32.868 1.00 0.00 C ATOM 597 CD GLU A 40 -12.758 17.716 -32.901 1.00 0.00 C ATOM 598 OE1 GLU A 40 -12.412 18.888 -33.156 1.00 0.00 O ATOM 599 OE2 GLU A 40 -13.940 17.385 -32.671 1.00 0.00 O ATOM 0 H GLU A 40 -8.914 16.231 -33.013 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.019 18.596 -31.862 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.545 15.639 -31.364 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.543 16.945 -30.756 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.014 16.778 -33.712 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.159 15.664 -32.992 1.00 0.00 H new ATOM 606 N LEU A 41 -8.314 16.556 -29.897 1.00 0.00 N ATOM 607 CA LEU A 41 -7.628 16.467 -28.613 1.00 0.00 C ATOM 608 C LEU A 41 -6.625 17.605 -28.451 1.00 0.00 C ATOM 609 O LEU A 41 -6.296 18.003 -27.334 1.00 0.00 O ATOM 610 CB LEU A 41 -6.914 15.121 -28.485 1.00 0.00 C ATOM 611 CG LEU A 41 -5.917 14.996 -27.333 1.00 0.00 C ATOM 612 CD1 LEU A 41 -6.644 14.977 -25.997 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.066 13.745 -27.497 1.00 0.00 C ATOM 0 H LEU A 41 -8.206 15.733 -30.490 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.375 16.551 -27.824 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.668 14.342 -28.372 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.387 14.922 -29.418 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.258 15.864 -27.353 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.918 14.888 -25.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.209 15.902 -25.877 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.327 14.128 -25.967 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.362 13.673 -26.668 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.710 12.865 -27.504 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.516 13.800 -28.436 1.00 0.00 H new ATOM 625 N VAL A 42 -6.144 18.127 -29.575 1.00 0.00 N ATOM 626 CA VAL A 42 -5.181 19.221 -29.559 1.00 0.00 C ATOM 627 C VAL A 42 -5.864 20.550 -29.255 1.00 0.00 C ATOM 628 O VAL A 42 -5.534 21.222 -28.278 1.00 0.00 O ATOM 629 CB VAL A 42 -4.437 19.335 -30.903 1.00 0.00 C ATOM 630 CG1 VAL A 42 -3.737 20.680 -31.014 1.00 0.00 C ATOM 631 CG2 VAL A 42 -3.444 18.193 -31.060 1.00 0.00 C ATOM 0 H VAL A 42 -6.406 17.809 -30.508 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.461 18.997 -28.772 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.167 19.265 -31.710 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.217 20.742 -31.970 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.474 21.480 -30.950 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.017 20.784 -30.202 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.927 18.289 -32.015 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.717 18.229 -30.249 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.975 17.242 -31.029 1.00 0.00 H new ATOM 641 N THR A 43 -6.821 20.924 -30.100 1.00 0.00 N ATOM 642 CA THR A 43 -7.551 22.172 -29.922 1.00 0.00 C ATOM 643 C THR A 43 -8.149 22.266 -28.523 1.00 0.00 C ATOM 644 O THR A 43 -8.326 23.359 -27.985 1.00 0.00 O ATOM 645 CB THR A 43 -8.680 22.315 -30.961 1.00 0.00 C ATOM 646 OG1 THR A 43 -8.127 22.358 -32.282 1.00 0.00 O ATOM 647 CG2 THR A 43 -9.494 23.575 -30.706 1.00 0.00 C ATOM 0 H THR A 43 -7.108 20.380 -30.914 1.00 0.00 H new ATOM 0 HA THR A 43 -6.833 22.980 -30.062 1.00 0.00 H new ATOM 0 HB THR A 43 -9.339 21.451 -30.871 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.851 22.447 -32.937 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.285 23.654 -31.452 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.937 23.527 -29.711 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.844 24.448 -30.772 1.00 0.00 H new ATOM 655 N HIS A 44 -8.459 21.113 -27.939 1.00 0.00 N ATOM 656 CA HIS A 44 -9.037 21.065 -26.600 1.00 0.00 C ATOM 657 C HIS A 44 -7.949 21.168 -25.535 1.00 0.00 C ATOM 658 O HIS A 44 -7.918 22.118 -24.754 1.00 0.00 O ATOM 659 CB HIS A 44 -9.832 19.774 -26.411 1.00 0.00 C ATOM 660 CG HIS A 44 -10.145 19.467 -24.978 1.00 0.00 C ATOM 661 ND1 HIS A 44 -11.301 19.886 -24.354 1.00 0.00 N ATOM 662 CD2 HIS A 44 -9.445 18.777 -24.048 1.00 0.00 C ATOM 663 CE1 HIS A 44 -11.298 19.469 -23.101 1.00 0.00 C ATOM 664 NE2 HIS A 44 -10.183 18.792 -22.890 1.00 0.00 N ATOM 0 H HIS A 44 -8.320 20.200 -28.371 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.710 21.916 -26.490 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.765 19.846 -26.971 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.268 18.944 -26.837 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.485 18.303 -24.190 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.075 19.650 -22.373 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.914 18.352 -22.010 1.00 0.00 H new ATOM 672 N VAL A 45 -7.058 20.182 -25.510 1.00 0.00 N ATOM 673 CA VAL A 45 -5.968 20.161 -24.541 1.00 0.00 C ATOM 674 C VAL A 45 -5.164 21.455 -24.590 1.00 0.00 C ATOM 675 O VAL A 45 -4.480 21.811 -23.631 1.00 0.00 O ATOM 676 CB VAL A 45 -5.021 18.971 -24.788 1.00 0.00 C ATOM 677 CG1 VAL A 45 -3.826 19.037 -23.849 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.765 17.655 -24.625 1.00 0.00 C ATOM 0 H VAL A 45 -7.069 19.387 -26.149 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.422 20.056 -23.556 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.652 19.029 -25.812 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.168 18.189 -24.038 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.280 19.965 -24.020 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.173 19.005 -22.816 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.081 16.826 -24.803 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.164 17.585 -23.613 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.585 17.609 -25.342 1.00 0.00 H new ATOM 688 N THR A 46 -5.252 22.158 -25.716 1.00 0.00 N ATOM 689 CA THR A 46 -4.532 23.413 -25.891 1.00 0.00 C ATOM 690 C THR A 46 -5.400 24.603 -25.498 1.00 0.00 C ATOM 691 O THR A 46 -5.021 25.403 -24.643 1.00 0.00 O ATOM 692 CB THR A 46 -4.063 23.593 -27.347 1.00 0.00 C ATOM 693 OG1 THR A 46 -3.393 22.410 -27.796 1.00 0.00 O ATOM 694 CG2 THR A 46 -3.130 24.788 -27.472 1.00 0.00 C ATOM 0 H THR A 46 -5.815 21.879 -26.520 1.00 0.00 H new ATOM 0 HA THR A 46 -3.660 23.371 -25.239 1.00 0.00 H new ATOM 0 HB THR A 46 -4.941 23.771 -27.968 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.045 21.796 -28.193 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.812 24.895 -28.509 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.652 25.692 -27.158 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.256 24.635 -26.839 1.00 0.00 H new ATOM 702 N MET A 47 -6.565 24.714 -26.128 1.00 0.00 N ATOM 703 CA MET A 47 -7.487 25.807 -25.841 1.00 0.00 C ATOM 704 C MET A 47 -8.423 25.441 -24.694 1.00 0.00 C ATOM 705 O MET A 47 -8.584 26.207 -23.744 1.00 0.00 O ATOM 706 CB MET A 47 -8.301 26.156 -27.088 1.00 0.00 C ATOM 707 CG MET A 47 -7.475 26.193 -28.363 1.00 0.00 C ATOM 708 SD MET A 47 -8.281 27.113 -29.688 1.00 0.00 S ATOM 709 CE MET A 47 -6.878 27.949 -30.422 1.00 0.00 C ATOM 0 H MET A 47 -6.893 24.061 -26.840 1.00 0.00 H new ATOM 0 HA MET A 47 -6.900 26.676 -25.544 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.102 25.426 -27.205 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.774 27.127 -26.943 1.00 0.00 H new ATOM 0 HG2 MET A 47 -6.506 26.644 -28.150 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.285 25.173 -28.698 1.00 0.00 H new ATOM 0 HE1 MET A 47 -7.216 28.560 -31.259 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.403 28.586 -29.676 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.160 27.210 -30.779 1.00 0.00 H new ATOM 719 N GLU A 48 -9.039 24.267 -24.789 1.00 0.00 N ATOM 720 CA GLU A 48 -9.960 23.802 -23.759 1.00 0.00 C ATOM 721 C GLU A 48 -9.209 23.442 -22.480 1.00 0.00 C ATOM 722 O GLU A 48 -9.804 22.972 -21.509 1.00 0.00 O ATOM 723 CB GLU A 48 -10.750 22.590 -24.258 1.00 0.00 C ATOM 724 CG GLU A 48 -11.629 22.890 -25.461 1.00 0.00 C ATOM 725 CD GLU A 48 -12.946 23.533 -25.074 1.00 0.00 C ATOM 726 OE1 GLU A 48 -12.923 24.663 -24.544 1.00 0.00 O ATOM 727 OE2 GLU A 48 -14.002 22.905 -25.303 1.00 0.00 O ATOM 0 H GLU A 48 -8.917 23.621 -25.569 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.654 24.612 -23.537 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.052 21.794 -24.518 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.374 22.215 -23.447 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.093 23.550 -26.143 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.826 21.965 -26.002 1.00 0.00 H new ATOM 734 N HIS A 49 -7.899 23.664 -22.487 1.00 0.00 N ATOM 735 CA HIS A 49 -7.066 23.364 -21.329 1.00 0.00 C ATOM 736 C HIS A 49 -6.006 24.443 -21.127 1.00 0.00 C ATOM 737 O HIS A 49 -6.085 25.238 -20.190 1.00 0.00 O ATOM 738 CB HIS A 49 -6.396 21.999 -21.496 1.00 0.00 C ATOM 739 CG HIS A 49 -7.104 20.892 -20.778 1.00 0.00 C ATOM 740 ND1 HIS A 49 -7.863 21.095 -19.645 1.00 0.00 N ATOM 741 CD2 HIS A 49 -7.166 19.566 -21.039 1.00 0.00 C ATOM 742 CE1 HIS A 49 -8.360 19.940 -19.238 1.00 0.00 C ATOM 743 NE2 HIS A 49 -7.953 18.996 -20.067 1.00 0.00 N ATOM 0 H HIS A 49 -7.391 24.051 -23.283 1.00 0.00 H new ATOM 0 HA HIS A 49 -7.707 23.341 -20.448 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.343 21.757 -22.557 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.371 22.060 -21.131 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.686 19.051 -21.858 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.992 19.793 -18.374 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.185 18.005 -19.997 1.00 0.00 H new ATOM 751 N VAL A 50 -5.014 24.464 -22.011 1.00 0.00 N ATOM 752 CA VAL A 50 -3.938 25.445 -21.930 1.00 0.00 C ATOM 753 C VAL A 50 -4.440 26.840 -22.285 1.00 0.00 C ATOM 754 O VAL A 50 -3.744 27.833 -22.076 1.00 0.00 O ATOM 755 CB VAL A 50 -2.771 25.077 -22.866 1.00 0.00 C ATOM 756 CG1 VAL A 50 -2.015 26.326 -23.292 1.00 0.00 C ATOM 757 CG2 VAL A 50 -1.839 24.084 -22.188 1.00 0.00 C ATOM 0 H VAL A 50 -4.933 23.813 -22.792 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.582 25.441 -20.900 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.178 24.606 -23.760 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.194 26.047 -23.953 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.692 26.999 -23.818 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.616 26.828 -22.411 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.020 23.835 -22.863 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.436 24.527 -21.277 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.392 23.178 -21.938 1.00 0.00 H new ATOM 767 N GLY A 51 -5.653 26.908 -22.825 1.00 0.00 N ATOM 768 CA GLY A 51 -6.228 28.187 -23.200 1.00 0.00 C ATOM 769 C GLY A 51 -5.380 28.927 -24.215 1.00 0.00 C ATOM 770 O GLY A 51 -4.184 28.668 -24.343 1.00 0.00 O ATOM 0 H GLY A 51 -6.248 26.100 -23.010 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.225 28.027 -23.611 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.345 28.805 -22.309 1.00 0.00 H new ATOM 774 N GLY A 52 -6.001 29.852 -24.941 1.00 0.00 N ATOM 775 CA GLY A 52 -5.281 30.618 -25.942 1.00 0.00 C ATOM 776 C GLY A 52 -4.175 31.462 -25.341 1.00 0.00 C ATOM 777 O GLY A 52 -3.802 31.300 -24.178 1.00 0.00 O ATOM 0 H GLY A 52 -6.990 30.085 -24.854 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.855 29.937 -26.679 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.980 31.265 -26.472 1.00 0.00 H new ATOM 781 N PRO A 53 -3.629 32.388 -26.143 1.00 0.00 N ATOM 782 CA PRO A 53 -2.550 33.278 -25.706 1.00 0.00 C ATOM 783 C PRO A 53 -3.024 34.304 -24.682 1.00 0.00 C ATOM 784 O PRO A 53 -2.217 35.000 -24.068 1.00 0.00 O ATOM 785 CB PRO A 53 -2.117 33.973 -26.999 1.00 0.00 C ATOM 786 CG PRO A 53 -3.319 33.922 -27.877 1.00 0.00 C ATOM 787 CD PRO A 53 -4.024 32.636 -27.540 1.00 0.00 C ATOM 0 HA PRO A 53 -1.747 32.732 -25.210 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.807 35.001 -26.811 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.270 33.463 -27.458 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.967 34.780 -27.701 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.035 33.947 -28.929 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.105 32.732 -27.641 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.713 31.823 -28.196 1.00 0.00 H new ATOM 795 N GLU A 54 -4.339 34.391 -24.504 1.00 0.00 N ATOM 796 CA GLU A 54 -4.919 35.333 -23.554 1.00 0.00 C ATOM 797 C GLU A 54 -4.518 34.982 -22.124 1.00 0.00 C ATOM 798 O GLU A 54 -4.465 35.849 -21.253 1.00 0.00 O ATOM 799 CB GLU A 54 -6.444 35.343 -23.679 1.00 0.00 C ATOM 800 CG GLU A 54 -7.078 33.973 -23.505 1.00 0.00 C ATOM 801 CD GLU A 54 -8.487 34.048 -22.948 1.00 0.00 C ATOM 802 OE1 GLU A 54 -8.724 34.876 -22.044 1.00 0.00 O ATOM 803 OE2 GLU A 54 -9.351 33.279 -23.417 1.00 0.00 O ATOM 0 H GLU A 54 -5.021 33.822 -25.004 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.535 36.326 -23.787 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.857 36.022 -22.933 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.717 35.739 -24.657 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.099 33.462 -24.467 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.459 33.373 -22.838 1.00 0.00 H new ATOM 810 N GLN A 55 -4.236 33.703 -21.892 1.00 0.00 N ATOM 811 CA GLN A 55 -3.840 33.237 -20.569 1.00 0.00 C ATOM 812 C GLN A 55 -2.368 33.533 -20.305 1.00 0.00 C ATOM 813 O GLN A 55 -1.492 32.746 -20.662 1.00 0.00 O ATOM 814 CB GLN A 55 -4.103 31.736 -20.434 1.00 0.00 C ATOM 815 CG GLN A 55 -5.538 31.400 -20.063 1.00 0.00 C ATOM 816 CD GLN A 55 -5.675 30.021 -19.449 1.00 0.00 C ATOM 817 OE1 GLN A 55 -5.733 29.016 -20.159 1.00 0.00 O ATOM 818 NE2 GLN A 55 -5.727 29.965 -18.124 1.00 0.00 N ATOM 0 H GLN A 55 -4.275 32.973 -22.603 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.437 33.771 -19.830 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.856 31.246 -21.376 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.435 31.325 -19.677 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.911 32.145 -19.360 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.163 31.461 -20.954 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.675 30.823 -17.575 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.818 29.064 -17.655 1.00 0.00 H new ATOM 827 N ASN A 56 -2.102 34.674 -19.677 1.00 0.00 N ATOM 828 CA ASN A 56 -0.735 35.075 -19.366 1.00 0.00 C ATOM 829 C ASN A 56 0.119 33.863 -19.004 1.00 0.00 C ATOM 830 O ASN A 56 0.921 33.394 -19.809 1.00 0.00 O ATOM 831 CB ASN A 56 -0.726 36.082 -18.215 1.00 0.00 C ATOM 832 CG ASN A 56 -0.874 37.513 -18.696 1.00 0.00 C ATOM 833 OD1 ASN A 56 0.016 38.054 -19.352 1.00 0.00 O ATOM 834 ND2 ASN A 56 -2.003 38.132 -18.371 1.00 0.00 N ATOM 0 H ASN A 56 -2.815 35.337 -19.374 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.310 35.544 -20.253 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.537 35.848 -17.525 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.205 35.984 -17.657 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.160 39.095 -18.667 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.713 37.644 -17.826 1.00 0.00 H new ATOM 841 N ASN A 57 -0.063 33.362 -17.786 1.00 0.00 N ATOM 842 CA ASN A 57 0.690 32.205 -17.316 1.00 0.00 C ATOM 843 C ASN A 57 0.033 30.906 -17.774 1.00 0.00 C ATOM 844 O ASN A 57 -0.900 30.413 -17.138 1.00 0.00 O ATOM 845 CB ASN A 57 0.798 32.226 -15.790 1.00 0.00 C ATOM 846 CG ASN A 57 1.330 30.921 -15.230 1.00 0.00 C ATOM 847 OD1 ASN A 57 0.568 29.993 -14.957 1.00 0.00 O ATOM 848 ND2 ASN A 57 2.644 30.844 -15.057 1.00 0.00 N ATOM 0 H ASN A 57 -0.725 33.739 -17.107 1.00 0.00 H new ATOM 0 HA ASN A 57 1.691 32.255 -17.744 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.453 33.042 -15.486 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.184 32.429 -15.362 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.060 29.991 -14.684 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.237 31.638 -15.297 1.00 0.00 H new ATOM 855 N HIS A 58 0.526 30.357 -18.879 1.00 0.00 N ATOM 856 CA HIS A 58 -0.013 29.115 -19.421 1.00 0.00 C ATOM 857 C HIS A 58 0.797 27.915 -18.938 1.00 0.00 C ATOM 858 O HIS A 58 1.975 27.775 -19.267 1.00 0.00 O ATOM 859 CB HIS A 58 -0.017 29.160 -20.950 1.00 0.00 C ATOM 860 CG HIS A 58 1.073 30.010 -21.527 1.00 0.00 C ATOM 861 ND1 HIS A 58 0.832 31.190 -22.198 1.00 0.00 N ATOM 862 CD2 HIS A 58 2.417 29.846 -21.528 1.00 0.00 C ATOM 863 CE1 HIS A 58 1.979 31.714 -22.589 1.00 0.00 C ATOM 864 NE2 HIS A 58 2.957 30.919 -22.194 1.00 0.00 N ATOM 0 H HIS A 58 1.297 30.752 -19.417 1.00 0.00 H new ATOM 0 HA HIS A 58 -1.038 29.007 -19.065 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.082 28.145 -21.335 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.981 29.538 -21.292 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.963 29.025 -21.087 1.00 0.00 H new ATOM 0 HE1 HIS A 58 2.097 32.636 -23.139 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.952 31.076 -22.357 1.00 0.00 H new ATOM 872 N VAL A 59 0.158 27.052 -18.155 1.00 0.00 N ATOM 873 CA VAL A 59 0.818 25.865 -17.627 1.00 0.00 C ATOM 874 C VAL A 59 -0.098 24.649 -17.699 1.00 0.00 C ATOM 875 O VAL A 59 -1.261 24.709 -17.297 1.00 0.00 O ATOM 876 CB VAL A 59 1.263 26.073 -16.167 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.168 24.936 -15.717 1.00 0.00 C ATOM 878 CG2 VAL A 59 1.961 27.415 -16.009 1.00 0.00 C ATOM 0 H VAL A 59 -0.817 27.153 -17.872 1.00 0.00 H new ATOM 0 HA VAL A 59 1.698 25.690 -18.246 1.00 0.00 H new ATOM 0 HB VAL A 59 0.377 26.073 -15.532 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.472 25.100 -14.683 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.629 23.991 -15.791 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.052 24.901 -16.354 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.269 27.545 -14.971 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.839 27.447 -16.654 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.277 28.216 -16.288 1.00 0.00 H new ATOM 888 N CYS A 60 0.433 23.544 -18.213 1.00 0.00 N ATOM 889 CA CYS A 60 -0.336 22.312 -18.338 1.00 0.00 C ATOM 890 C CYS A 60 -0.119 21.409 -17.127 1.00 0.00 C ATOM 891 O CYS A 60 1.005 20.994 -16.843 1.00 0.00 O ATOM 892 CB CYS A 60 0.055 21.570 -19.617 1.00 0.00 C ATOM 893 SG CYS A 60 0.117 19.758 -19.437 1.00 0.00 S ATOM 0 H CYS A 60 1.393 23.477 -18.550 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.392 22.576 -18.387 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.657 21.822 -20.403 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.032 21.925 -19.946 1.00 0.00 H new ATOM 0 HG CYS A 60 1.228 19.310 -19.941 1.00 0.00 H new ATOM 898 N TYR A 61 -1.201 21.110 -16.417 1.00 0.00 N ATOM 899 CA TYR A 61 -1.129 20.259 -15.236 1.00 0.00 C ATOM 900 C TYR A 61 -1.665 18.863 -15.537 1.00 0.00 C ATOM 901 O TYR A 61 -2.874 18.631 -15.508 1.00 0.00 O ATOM 902 CB TYR A 61 -1.918 20.883 -14.083 1.00 0.00 C ATOM 903 CG TYR A 61 -1.628 22.352 -13.876 1.00 0.00 C ATOM 904 CD1 TYR A 61 -0.581 22.766 -13.062 1.00 0.00 C ATOM 905 CD2 TYR A 61 -2.402 23.327 -14.494 1.00 0.00 C ATOM 906 CE1 TYR A 61 -0.313 24.108 -12.870 1.00 0.00 C ATOM 907 CE2 TYR A 61 -2.140 24.671 -14.309 1.00 0.00 C ATOM 908 CZ TYR A 61 -1.095 25.056 -13.496 1.00 0.00 C ATOM 909 OH TYR A 61 -0.832 26.394 -13.307 1.00 0.00 O ATOM 0 H TYR A 61 -2.139 21.445 -16.639 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.082 20.172 -14.946 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.984 20.755 -14.272 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.690 20.343 -13.164 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.034 22.026 -12.571 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.223 23.029 -15.130 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.504 24.413 -12.233 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.750 25.416 -14.798 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.474 26.929 -13.819 1.00 0.00 H new ATOM 919 N TRP A 62 -0.757 17.937 -15.825 1.00 0.00 N ATOM 920 CA TRP A 62 -1.138 16.563 -16.131 1.00 0.00 C ATOM 921 C TRP A 62 -1.163 15.711 -14.867 1.00 0.00 C ATOM 922 O TRP A 62 -0.363 15.916 -13.955 1.00 0.00 O ATOM 923 CB TRP A 62 -0.170 15.959 -17.149 1.00 0.00 C ATOM 924 CG TRP A 62 -0.825 14.998 -18.094 1.00 0.00 C ATOM 925 CD1 TRP A 62 -0.799 13.634 -18.026 1.00 0.00 C ATOM 926 CD2 TRP A 62 -1.602 15.329 -19.251 1.00 0.00 C ATOM 927 NE1 TRP A 62 -1.513 13.097 -19.070 1.00 0.00 N ATOM 928 CE2 TRP A 62 -2.016 14.116 -19.835 1.00 0.00 C ATOM 929 CE3 TRP A 62 -1.990 16.531 -19.848 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -2.797 14.074 -20.987 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -2.765 16.488 -20.991 1.00 0.00 C ATOM 932 CH2 TRP A 62 -3.162 15.266 -21.551 1.00 0.00 C ATOM 0 H TRP A 62 0.247 18.113 -15.853 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.141 16.576 -16.557 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.292 16.763 -17.722 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.631 15.446 -16.617 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.292 13.062 -17.264 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.647 12.101 -19.247 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.689 17.477 -19.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.104 13.133 -21.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -3.070 17.411 -21.461 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.768 15.265 -22.445 1.00 0.00 H new ATOM 943 N GLU A 63 -2.086 14.755 -14.820 1.00 0.00 N ATOM 944 CA GLU A 63 -2.214 13.873 -13.666 1.00 0.00 C ATOM 945 C GLU A 63 -0.852 13.328 -13.245 1.00 0.00 C ATOM 946 O GLU A 63 -0.679 12.867 -12.117 1.00 0.00 O ATOM 947 CB GLU A 63 -3.163 12.716 -13.984 1.00 0.00 C ATOM 948 CG GLU A 63 -3.185 11.636 -12.915 1.00 0.00 C ATOM 949 CD GLU A 63 -4.042 10.447 -13.305 1.00 0.00 C ATOM 950 OE1 GLU A 63 -4.121 10.142 -14.513 1.00 0.00 O ATOM 951 OE2 GLU A 63 -4.635 9.822 -12.400 1.00 0.00 O ATOM 0 H GLU A 63 -2.756 14.572 -15.567 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.625 14.454 -12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.172 13.109 -14.112 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.872 12.269 -14.934 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.166 11.298 -12.724 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.560 12.060 -11.983 1.00 0.00 H new ATOM 958 N GLU A 64 0.110 13.383 -14.160 1.00 0.00 N ATOM 959 CA GLU A 64 1.456 12.894 -13.884 1.00 0.00 C ATOM 960 C GLU A 64 2.472 13.536 -14.824 1.00 0.00 C ATOM 961 O GLU A 64 3.470 12.917 -15.194 1.00 0.00 O ATOM 962 CB GLU A 64 1.507 11.371 -14.024 1.00 0.00 C ATOM 963 CG GLU A 64 1.216 10.631 -12.729 1.00 0.00 C ATOM 964 CD GLU A 64 1.399 9.131 -12.860 1.00 0.00 C ATOM 965 OE1 GLU A 64 0.585 8.494 -13.562 1.00 0.00 O ATOM 966 OE2 GLU A 64 2.354 8.595 -12.262 1.00 0.00 O ATOM 0 H GLU A 64 -0.017 13.761 -15.099 1.00 0.00 H new ATOM 0 HA GLU A 64 1.711 13.167 -12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.787 11.060 -14.780 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.494 11.080 -14.385 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.874 11.006 -11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.194 10.843 -12.416 1.00 0.00 H new ATOM 973 N CYS A 65 2.210 14.781 -15.207 1.00 0.00 N ATOM 974 CA CYS A 65 3.100 15.509 -16.104 1.00 0.00 C ATOM 975 C CYS A 65 4.552 15.378 -15.654 1.00 0.00 C ATOM 976 O CYS A 65 4.878 15.522 -14.476 1.00 0.00 O ATOM 977 CB CYS A 65 2.704 16.985 -16.163 1.00 0.00 C ATOM 978 SG CYS A 65 3.174 17.821 -17.712 1.00 0.00 S ATOM 0 H CYS A 65 1.388 15.307 -14.910 1.00 0.00 H new ATOM 0 HA CYS A 65 3.006 15.075 -17.099 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.625 17.066 -16.032 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.167 17.508 -15.326 1.00 0.00 H new ATOM 0 HG CYS A 65 2.252 17.626 -18.607 1.00 0.00 H new ATOM 983 N PRO A 66 5.446 15.099 -16.614 1.00 0.00 N ATOM 984 CA PRO A 66 6.878 14.943 -16.341 1.00 0.00 C ATOM 985 C PRO A 66 7.544 16.263 -15.969 1.00 0.00 C ATOM 986 O PRO A 66 8.613 16.280 -15.358 1.00 0.00 O ATOM 987 CB PRO A 66 7.436 14.417 -17.666 1.00 0.00 C ATOM 988 CG PRO A 66 6.479 14.902 -18.700 1.00 0.00 C ATOM 989 CD PRO A 66 5.128 14.913 -18.040 1.00 0.00 C ATOM 0 HA PRO A 66 7.062 14.283 -15.493 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.442 14.795 -17.850 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.499 13.329 -17.665 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.752 15.898 -19.048 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.482 14.248 -19.572 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.502 15.720 -18.420 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.589 13.982 -18.213 1.00 0.00 H new ATOM 997 N ARG A 67 6.906 17.368 -16.341 1.00 0.00 N ATOM 998 CA ARG A 67 7.438 18.693 -16.047 1.00 0.00 C ATOM 999 C ARG A 67 7.013 19.152 -14.655 1.00 0.00 C ATOM 1000 O ARG A 67 7.608 20.066 -14.084 1.00 0.00 O ATOM 1001 CB ARG A 67 6.962 19.701 -17.094 1.00 0.00 C ATOM 1002 CG ARG A 67 7.592 19.500 -18.463 1.00 0.00 C ATOM 1003 CD ARG A 67 9.100 19.691 -18.416 1.00 0.00 C ATOM 1004 NE ARG A 67 9.802 18.439 -18.143 1.00 0.00 N ATOM 1005 CZ ARG A 67 9.823 17.410 -18.983 1.00 0.00 C ATOM 1006 NH1 ARG A 67 9.184 17.484 -20.143 1.00 0.00 N ATOM 1007 NH2 ARG A 67 10.484 16.305 -18.664 1.00 0.00 N ATOM 0 H ARG A 67 6.020 17.372 -16.847 1.00 0.00 H new ATOM 0 HA ARG A 67 8.526 18.635 -16.076 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.878 19.630 -17.188 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.186 20.709 -16.744 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.362 18.499 -18.827 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.157 20.204 -19.172 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.443 20.099 -19.366 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.349 20.422 -17.646 1.00 0.00 H new ATOM 0 HE ARG A 67 10.303 18.350 -17.259 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.675 18.332 -20.392 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.202 16.693 -20.786 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.977 16.245 -17.773 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.499 15.516 -19.310 1.00 0.00 H new ATOM 1021 N GLU A 68 5.981 18.511 -14.115 1.00 0.00 N ATOM 1022 CA GLU A 68 5.478 18.855 -12.790 1.00 0.00 C ATOM 1023 C GLU A 68 4.861 20.251 -12.788 1.00 0.00 C ATOM 1024 O GLU A 68 5.018 21.009 -11.832 1.00 0.00 O ATOM 1025 CB GLU A 68 6.604 18.781 -11.757 1.00 0.00 C ATOM 1026 CG GLU A 68 7.622 17.690 -12.043 1.00 0.00 C ATOM 1027 CD GLU A 68 8.659 17.558 -10.945 1.00 0.00 C ATOM 1028 OE1 GLU A 68 8.298 17.099 -9.840 1.00 0.00 O ATOM 1029 OE2 GLU A 68 9.831 17.913 -11.189 1.00 0.00 O ATOM 0 H GLU A 68 5.478 17.752 -14.574 1.00 0.00 H new ATOM 0 HA GLU A 68 4.704 18.134 -12.525 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.116 19.743 -11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.171 18.612 -10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.105 16.738 -12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.123 17.904 -12.987 1.00 0.00 H new ATOM 1036 N GLY A 69 4.160 20.584 -13.868 1.00 0.00 N ATOM 1037 CA GLY A 69 3.531 21.887 -13.971 1.00 0.00 C ATOM 1038 C GLY A 69 4.536 23.021 -13.916 1.00 0.00 C ATOM 1039 O GLY A 69 4.348 23.991 -13.181 1.00 0.00 O ATOM 0 H GLY A 69 4.017 19.974 -14.673 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.973 21.945 -14.906 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.810 22.004 -13.162 1.00 0.00 H new ATOM 1043 N LYS A 70 5.606 22.900 -14.693 1.00 0.00 N ATOM 1044 CA LYS A 70 6.645 23.922 -14.730 1.00 0.00 C ATOM 1045 C LYS A 70 6.484 24.818 -15.954 1.00 0.00 C ATOM 1046 O LYS A 70 6.884 24.452 -17.059 1.00 0.00 O ATOM 1047 CB LYS A 70 8.030 23.271 -14.740 1.00 0.00 C ATOM 1048 CG LYS A 70 8.535 22.893 -13.358 1.00 0.00 C ATOM 1049 CD LYS A 70 9.243 24.057 -12.686 1.00 0.00 C ATOM 1050 CE LYS A 70 10.379 24.591 -13.546 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.066 23.502 -14.294 1.00 0.00 N ATOM 0 H LYS A 70 5.777 22.103 -15.307 1.00 0.00 H new ATOM 0 HA LYS A 70 6.546 24.537 -13.836 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.997 22.377 -15.363 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.741 23.956 -15.203 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.698 22.569 -12.740 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.218 22.047 -13.438 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.527 24.855 -12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.635 23.737 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.987 25.325 -14.251 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.100 25.109 -12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.040 23.793 -14.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.086 22.640 -13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.553 23.311 -15.178 1.00 0.00 H new ATOM 1065 N SER A 71 5.898 25.993 -15.749 1.00 0.00 N ATOM 1066 CA SER A 71 5.683 26.940 -16.837 1.00 0.00 C ATOM 1067 C SER A 71 6.836 26.893 -17.834 1.00 0.00 C ATOM 1068 O SER A 71 7.978 26.615 -17.468 1.00 0.00 O ATOM 1069 CB SER A 71 5.529 28.358 -16.284 1.00 0.00 C ATOM 1070 OG SER A 71 4.922 28.343 -15.004 1.00 0.00 O ATOM 0 H SER A 71 5.564 26.312 -14.840 1.00 0.00 H new ATOM 0 HA SER A 71 4.766 26.658 -17.355 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.507 28.835 -16.221 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.927 28.955 -16.969 1.00 0.00 H new ATOM 0 HG SER A 71 4.980 29.236 -14.604 1.00 0.00 H new ATOM 1076 N PHE A 72 6.529 27.167 -19.098 1.00 0.00 N ATOM 1077 CA PHE A 72 7.539 27.156 -20.150 1.00 0.00 C ATOM 1078 C PHE A 72 8.077 28.561 -20.402 1.00 0.00 C ATOM 1079 O PHE A 72 7.544 29.545 -19.889 1.00 0.00 O ATOM 1080 CB PHE A 72 6.953 26.582 -21.442 1.00 0.00 C ATOM 1081 CG PHE A 72 6.815 25.086 -21.425 1.00 0.00 C ATOM 1082 CD1 PHE A 72 5.768 24.482 -20.747 1.00 0.00 C ATOM 1083 CD2 PHE A 72 7.731 24.285 -22.086 1.00 0.00 C ATOM 1084 CE1 PHE A 72 5.637 23.106 -20.730 1.00 0.00 C ATOM 1085 CE2 PHE A 72 7.605 22.909 -22.072 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.558 22.319 -21.392 1.00 0.00 C ATOM 0 H PHE A 72 5.589 27.399 -19.418 1.00 0.00 H new ATOM 0 HA PHE A 72 8.364 26.524 -19.821 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.974 27.027 -21.617 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.588 26.871 -22.279 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.046 25.093 -20.226 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.553 24.741 -22.618 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.816 22.647 -20.200 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.325 22.295 -22.593 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.460 21.244 -21.378 1.00 0.00 H new ATOM 1096 N LYS A 73 9.139 28.647 -21.197 1.00 0.00 N ATOM 1097 CA LYS A 73 9.751 29.931 -21.519 1.00 0.00 C ATOM 1098 C LYS A 73 8.894 30.708 -22.514 1.00 0.00 C ATOM 1099 O LYS A 73 8.934 31.937 -22.555 1.00 0.00 O ATOM 1100 CB LYS A 73 11.154 29.720 -22.094 1.00 0.00 C ATOM 1101 CG LYS A 73 12.257 29.818 -21.055 1.00 0.00 C ATOM 1102 CD LYS A 73 13.074 31.088 -21.228 1.00 0.00 C ATOM 1103 CE LYS A 73 12.282 32.320 -20.819 1.00 0.00 C ATOM 1104 NZ LYS A 73 13.042 33.576 -21.070 1.00 0.00 N ATOM 0 H LYS A 73 9.593 27.843 -21.630 1.00 0.00 H new ATOM 0 HA LYS A 73 9.825 30.511 -20.599 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.199 28.740 -22.569 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.333 30.461 -22.873 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.820 29.798 -20.056 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.911 28.950 -21.134 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.982 31.022 -20.629 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.385 31.183 -22.268 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.342 32.348 -21.371 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.028 32.254 -19.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.468 34.393 -20.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.927 33.561 -20.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.262 33.652 -22.084 1.00 0.00 H new ATOM 1118 N ALA A 74 8.119 29.982 -23.314 1.00 0.00 N ATOM 1119 CA ALA A 74 7.250 30.604 -24.305 1.00 0.00 C ATOM 1120 C ALA A 74 5.922 29.862 -24.413 1.00 0.00 C ATOM 1121 O ALA A 74 5.741 28.801 -23.816 1.00 0.00 O ATOM 1122 CB ALA A 74 7.943 30.650 -25.659 1.00 0.00 C ATOM 0 H ALA A 74 8.076 28.963 -23.295 1.00 0.00 H new ATOM 0 HA ALA A 74 7.041 31.624 -23.981 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.283 31.117 -26.390 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.862 31.230 -25.578 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.181 29.636 -25.981 1.00 0.00 H new ATOM 1128 N LYS A 75 4.994 30.429 -25.177 1.00 0.00 N ATOM 1129 CA LYS A 75 3.682 29.822 -25.364 1.00 0.00 C ATOM 1130 C LYS A 75 3.765 28.626 -26.308 1.00 0.00 C ATOM 1131 O LYS A 75 3.223 27.558 -26.021 1.00 0.00 O ATOM 1132 CB LYS A 75 2.694 30.853 -25.916 1.00 0.00 C ATOM 1133 CG LYS A 75 1.261 30.622 -25.470 1.00 0.00 C ATOM 1134 CD LYS A 75 0.572 29.572 -26.325 1.00 0.00 C ATOM 1135 CE LYS A 75 -0.942 29.704 -26.258 1.00 0.00 C ATOM 1136 NZ LYS A 75 -1.626 28.431 -26.618 1.00 0.00 N ATOM 0 H LYS A 75 5.127 31.308 -25.677 1.00 0.00 H new ATOM 0 HA LYS A 75 3.329 29.473 -24.393 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.007 31.849 -25.602 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.734 30.835 -27.005 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.250 30.307 -24.427 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.706 31.559 -25.526 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.901 29.670 -27.359 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.867 28.578 -25.990 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.236 30.003 -25.252 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.268 30.495 -26.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.656 28.562 -26.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.365 28.159 -27.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.335 27.682 -25.958 1.00 0.00 H new ATOM 1150 N TYR A 76 4.446 28.812 -27.433 1.00 0.00 N ATOM 1151 CA TYR A 76 4.600 27.749 -28.418 1.00 0.00 C ATOM 1152 C TYR A 76 5.316 26.545 -27.814 1.00 0.00 C ATOM 1153 O TYR A 76 5.106 25.406 -28.233 1.00 0.00 O ATOM 1154 CB TYR A 76 5.374 28.260 -29.635 1.00 0.00 C ATOM 1155 CG TYR A 76 6.522 29.176 -29.280 1.00 0.00 C ATOM 1156 CD1 TYR A 76 7.730 28.664 -28.823 1.00 0.00 C ATOM 1157 CD2 TYR A 76 6.400 30.555 -29.400 1.00 0.00 C ATOM 1158 CE1 TYR A 76 8.783 29.497 -28.497 1.00 0.00 C ATOM 1159 CE2 TYR A 76 7.447 31.396 -29.078 1.00 0.00 C ATOM 1160 CZ TYR A 76 8.636 30.863 -28.627 1.00 0.00 C ATOM 1161 OH TYR A 76 9.681 31.697 -28.304 1.00 0.00 O ATOM 0 H TYR A 76 4.900 29.690 -27.685 1.00 0.00 H new ATOM 0 HA TYR A 76 3.605 27.435 -28.734 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.760 27.408 -30.194 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.688 28.790 -30.295 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.848 27.595 -28.721 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.470 30.977 -29.751 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.715 29.082 -28.143 1.00 0.00 H new ATOM 0 HE2 TYR A 76 7.335 32.465 -29.179 1.00 0.00 H new ATOM 0 HH TYR A 76 9.414 32.628 -28.453 1.00 0.00 H new ATOM 1171 N LYS A 77 6.165 26.805 -26.826 1.00 0.00 N ATOM 1172 CA LYS A 77 6.913 25.745 -26.160 1.00 0.00 C ATOM 1173 C LYS A 77 5.978 24.825 -25.382 1.00 0.00 C ATOM 1174 O LYS A 77 6.151 23.605 -25.379 1.00 0.00 O ATOM 1175 CB LYS A 77 7.957 26.345 -25.216 1.00 0.00 C ATOM 1176 CG LYS A 77 8.890 27.336 -25.891 1.00 0.00 C ATOM 1177 CD LYS A 77 10.004 26.628 -26.644 1.00 0.00 C ATOM 1178 CE LYS A 77 11.201 26.359 -25.746 1.00 0.00 C ATOM 1179 NZ LYS A 77 12.232 25.529 -26.429 1.00 0.00 N ATOM 0 H LYS A 77 6.353 27.742 -26.468 1.00 0.00 H new ATOM 0 HA LYS A 77 7.419 25.156 -26.925 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.446 26.843 -24.392 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.549 25.539 -24.783 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.322 27.960 -26.581 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.321 28.000 -25.142 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.631 25.686 -27.046 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.315 27.237 -27.493 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.643 27.306 -25.437 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.869 25.852 -24.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.031 25.368 -25.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.817 24.615 -26.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.568 26.024 -27.280 1.00 0.00 H new ATOM 1193 N LEU A 78 4.986 25.416 -24.725 1.00 0.00 N ATOM 1194 CA LEU A 78 4.022 24.648 -23.944 1.00 0.00 C ATOM 1195 C LEU A 78 3.164 23.770 -24.849 1.00 0.00 C ATOM 1196 O LEU A 78 2.833 22.637 -24.500 1.00 0.00 O ATOM 1197 CB LEU A 78 3.129 25.589 -23.132 1.00 0.00 C ATOM 1198 CG LEU A 78 1.837 24.982 -22.586 1.00 0.00 C ATOM 1199 CD1 LEU A 78 2.135 23.724 -21.784 1.00 0.00 C ATOM 1200 CD2 LEU A 78 1.091 25.997 -21.731 1.00 0.00 C ATOM 0 H LEU A 78 4.828 26.424 -24.717 1.00 0.00 H new ATOM 0 HA LEU A 78 4.576 24.003 -23.262 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.709 25.974 -22.293 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.870 26.442 -23.759 1.00 0.00 H new ATOM 0 HG LEU A 78 1.202 24.709 -23.429 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.203 23.306 -21.403 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.626 22.992 -22.425 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.790 23.972 -20.948 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.174 25.548 -21.350 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.720 26.301 -20.895 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.844 26.870 -22.335 1.00 0.00 H new ATOM 1212 N VAL A 79 2.809 24.300 -26.016 1.00 0.00 N ATOM 1213 CA VAL A 79 1.993 23.564 -26.973 1.00 0.00 C ATOM 1214 C VAL A 79 2.720 22.321 -27.475 1.00 0.00 C ATOM 1215 O VAL A 79 2.140 21.240 -27.556 1.00 0.00 O ATOM 1216 CB VAL A 79 1.611 24.443 -28.178 1.00 0.00 C ATOM 1217 CG1 VAL A 79 1.024 23.593 -29.295 1.00 0.00 C ATOM 1218 CG2 VAL A 79 0.634 25.531 -27.756 1.00 0.00 C ATOM 0 H VAL A 79 3.074 25.237 -26.321 1.00 0.00 H new ATOM 0 HA VAL A 79 1.085 23.264 -26.449 1.00 0.00 H new ATOM 0 HB VAL A 79 2.514 24.923 -28.555 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.760 24.232 -30.138 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.759 22.855 -29.615 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.131 23.083 -28.933 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.375 26.143 -28.620 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.269 25.073 -27.352 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.095 26.158 -26.993 1.00 0.00 H new ATOM 1228 N ASN A 80 3.996 22.484 -27.809 1.00 0.00 N ATOM 1229 CA ASN A 80 4.805 21.376 -28.303 1.00 0.00 C ATOM 1230 C ASN A 80 4.976 20.306 -27.229 1.00 0.00 C ATOM 1231 O ASN A 80 5.216 19.137 -27.534 1.00 0.00 O ATOM 1232 CB ASN A 80 6.175 21.880 -28.759 1.00 0.00 C ATOM 1233 CG ASN A 80 6.091 22.733 -30.010 1.00 0.00 C ATOM 1234 OD1 ASN A 80 5.483 22.338 -31.005 1.00 0.00 O ATOM 1235 ND2 ASN A 80 6.702 23.911 -29.965 1.00 0.00 N ATOM 0 H ASN A 80 4.492 23.373 -27.746 1.00 0.00 H new ATOM 0 HA ASN A 80 4.287 20.933 -29.154 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.631 22.460 -27.957 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.828 21.028 -28.947 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.679 24.529 -30.776 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.194 24.198 -29.119 1.00 0.00 H new ATOM 1242 N HIS A 81 4.849 20.714 -25.970 1.00 0.00 N ATOM 1243 CA HIS A 81 4.988 19.790 -24.849 1.00 0.00 C ATOM 1244 C HIS A 81 3.824 18.805 -24.810 1.00 0.00 C ATOM 1245 O HIS A 81 4.027 17.593 -24.721 1.00 0.00 O ATOM 1246 CB HIS A 81 5.062 20.562 -23.532 1.00 0.00 C ATOM 1247 CG HIS A 81 4.433 19.841 -22.379 1.00 0.00 C ATOM 1248 ND1 HIS A 81 5.096 18.887 -21.636 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.195 19.941 -21.842 1.00 0.00 C ATOM 1250 CE1 HIS A 81 4.292 18.430 -20.693 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.132 19.054 -20.796 1.00 0.00 N ATOM 0 H HIS A 81 4.650 21.677 -25.700 1.00 0.00 H new ATOM 0 HA HIS A 81 5.912 19.228 -24.985 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.107 20.764 -23.297 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.571 21.527 -23.658 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.057 18.582 -21.791 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.404 20.597 -22.174 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.541 17.675 -19.962 1.00 0.00 H new ATOM 1259 N ILE A 82 2.606 19.332 -24.877 1.00 0.00 N ATOM 1260 CA ILE A 82 1.411 18.498 -24.849 1.00 0.00 C ATOM 1261 C ILE A 82 1.485 17.396 -25.900 1.00 0.00 C ATOM 1262 O ILE A 82 0.793 16.382 -25.802 1.00 0.00 O ATOM 1263 CB ILE A 82 0.137 19.331 -25.084 1.00 0.00 C ATOM 1264 CG1 ILE A 82 0.214 20.649 -24.311 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -1.096 18.541 -24.674 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -1.127 21.328 -24.140 1.00 0.00 C ATOM 0 H ILE A 82 2.421 20.332 -24.951 1.00 0.00 H new ATOM 0 HA ILE A 82 1.363 18.049 -23.857 1.00 0.00 H new ATOM 0 HB ILE A 82 0.061 19.559 -26.147 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.644 20.460 -23.328 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.892 21.327 -24.830 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.988 19.143 -24.846 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.156 17.627 -25.265 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.029 18.285 -23.616 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.997 22.256 -23.583 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.550 21.549 -25.120 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.802 20.669 -23.594 1.00 0.00 H new ATOM 1278 N ARG A 83 2.330 17.600 -26.905 1.00 0.00 N ATOM 1279 CA ARG A 83 2.496 16.623 -27.975 1.00 0.00 C ATOM 1280 C ARG A 83 2.967 15.283 -27.418 1.00 0.00 C ATOM 1281 O ARG A 83 2.778 14.238 -28.043 1.00 0.00 O ATOM 1282 CB ARG A 83 3.496 17.136 -29.012 1.00 0.00 C ATOM 1283 CG ARG A 83 3.214 18.555 -29.480 1.00 0.00 C ATOM 1284 CD ARG A 83 1.846 18.664 -30.135 1.00 0.00 C ATOM 1285 NE ARG A 83 1.641 19.968 -30.760 1.00 0.00 N ATOM 1286 CZ ARG A 83 2.219 20.336 -31.898 1.00 0.00 C ATOM 1287 NH1 ARG A 83 3.033 19.503 -32.532 1.00 0.00 N ATOM 1288 NH2 ARG A 83 1.982 21.540 -32.404 1.00 0.00 N ATOM 0 H ARG A 83 2.911 18.433 -27.001 1.00 0.00 H new ATOM 0 HA ARG A 83 1.528 16.478 -28.455 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.499 17.095 -28.588 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.487 16.469 -29.874 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.268 19.237 -28.631 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.983 18.866 -30.187 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.740 17.881 -30.886 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.071 18.495 -29.387 1.00 0.00 H new ATOM 0 HE ARG A 83 1.020 20.632 -30.298 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.217 18.577 -32.146 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.475 19.788 -33.406 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.356 22.183 -31.919 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.426 21.822 -33.278 1.00 0.00 H new ATOM 1302 N VAL A 84 3.582 15.320 -26.241 1.00 0.00 N ATOM 1303 CA VAL A 84 4.080 14.108 -25.600 1.00 0.00 C ATOM 1304 C VAL A 84 2.988 13.434 -24.776 1.00 0.00 C ATOM 1305 O VAL A 84 3.083 12.250 -24.450 1.00 0.00 O ATOM 1306 CB VAL A 84 5.284 14.410 -24.687 1.00 0.00 C ATOM 1307 CG1 VAL A 84 6.281 15.310 -25.399 1.00 0.00 C ATOM 1308 CG2 VAL A 84 4.818 15.042 -23.384 1.00 0.00 C ATOM 0 H VAL A 84 3.748 16.176 -25.711 1.00 0.00 H new ATOM 0 HA VAL A 84 4.397 13.436 -26.397 1.00 0.00 H new ATOM 0 HB VAL A 84 5.784 13.471 -24.450 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.124 15.512 -24.739 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.638 14.815 -26.302 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.797 16.249 -25.667 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.681 15.249 -22.751 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.294 15.973 -23.598 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.145 14.357 -22.868 1.00 0.00 H new ATOM 1318 N HIS A 85 1.951 14.195 -24.443 1.00 0.00 N ATOM 1319 CA HIS A 85 0.839 13.671 -23.658 1.00 0.00 C ATOM 1320 C HIS A 85 -0.052 12.773 -24.511 1.00 0.00 C ATOM 1321 O HIS A 85 -0.905 12.052 -23.991 1.00 0.00 O ATOM 1322 CB HIS A 85 0.015 14.818 -23.072 1.00 0.00 C ATOM 1323 CG HIS A 85 0.644 15.454 -21.871 1.00 0.00 C ATOM 1324 ND1 HIS A 85 1.582 14.817 -21.087 1.00 0.00 N ATOM 1325 CD2 HIS A 85 0.465 16.678 -21.322 1.00 0.00 C ATOM 1326 CE1 HIS A 85 1.952 15.621 -20.106 1.00 0.00 C ATOM 1327 NE2 HIS A 85 1.290 16.757 -20.226 1.00 0.00 N ATOM 0 H HIS A 85 1.857 15.176 -24.704 1.00 0.00 H new ATOM 0 HA HIS A 85 1.251 13.076 -22.843 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.133 15.578 -23.840 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -0.972 14.444 -22.800 1.00 0.00 H new ATOM 0 HD1 HIS A 85 1.935 13.872 -21.240 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.202 17.449 -21.679 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.673 15.388 -19.337 1.00 0.00 H new ATOM 1335 N THR A 86 0.149 12.822 -25.824 1.00 0.00 N ATOM 1336 CA THR A 86 -0.636 12.015 -26.749 1.00 0.00 C ATOM 1337 C THR A 86 0.184 10.854 -27.300 1.00 0.00 C ATOM 1338 O THR A 86 -0.213 9.694 -27.192 1.00 0.00 O ATOM 1339 CB THR A 86 -1.163 12.860 -27.924 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.206 12.866 -28.990 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.445 14.287 -27.481 1.00 0.00 C ATOM 0 H THR A 86 0.850 13.413 -26.271 1.00 0.00 H new ATOM 0 HA THR A 86 -1.482 11.622 -26.185 1.00 0.00 H new ATOM 0 HB THR A 86 -2.094 12.415 -28.274 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.549 13.404 -29.734 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.816 14.864 -28.328 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.195 14.281 -26.690 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.527 14.740 -27.107 1.00 0.00 H new ATOM 1407 N PHE A 91 4.436 10.959 -39.054 1.00 0.00 N ATOM 1408 CA PHE A 91 5.403 10.113 -39.743 1.00 0.00 C ATOM 1409 C PHE A 91 6.758 10.154 -39.043 1.00 0.00 C ATOM 1410 O PHE A 91 7.218 11.201 -38.587 1.00 0.00 O ATOM 1411 CB PHE A 91 5.555 10.558 -41.200 1.00 0.00 C ATOM 1412 CG PHE A 91 5.315 12.026 -41.406 1.00 0.00 C ATOM 1413 CD1 PHE A 91 6.167 12.966 -40.848 1.00 0.00 C ATOM 1414 CD2 PHE A 91 4.238 12.467 -42.157 1.00 0.00 C ATOM 1415 CE1 PHE A 91 5.949 14.318 -41.036 1.00 0.00 C ATOM 1416 CE2 PHE A 91 4.015 13.817 -42.349 1.00 0.00 C ATOM 1417 CZ PHE A 91 4.871 14.744 -41.787 1.00 0.00 C ATOM 0 HA PHE A 91 5.033 9.088 -39.720 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.559 10.310 -41.544 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.857 9.994 -41.819 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.011 12.638 -40.259 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.564 11.747 -42.598 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.621 15.040 -40.596 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.172 14.147 -42.938 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.698 15.800 -41.935 1.00 0.00 H new ATOM 1427 N PRO A 92 7.414 8.987 -38.955 1.00 0.00 N ATOM 1428 CA PRO A 92 8.726 8.862 -38.312 1.00 0.00 C ATOM 1429 C PRO A 92 9.832 9.536 -39.117 1.00 0.00 C ATOM 1430 O PRO A 92 9.563 10.294 -40.049 1.00 0.00 O ATOM 1431 CB PRO A 92 8.950 7.349 -38.256 1.00 0.00 C ATOM 1432 CG PRO A 92 8.127 6.802 -39.370 1.00 0.00 C ATOM 1433 CD PRO A 92 6.926 7.700 -39.477 1.00 0.00 C ATOM 0 HA PRO A 92 8.750 9.346 -37.336 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.004 7.100 -38.383 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.639 6.938 -37.295 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.691 6.791 -40.303 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.828 5.774 -39.166 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.582 7.789 -40.507 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.088 7.321 -38.892 1.00 0.00 H new ATOM 1441 N CYS A 93 11.078 9.254 -38.751 1.00 0.00 N ATOM 1442 CA CYS A 93 12.226 9.832 -39.439 1.00 0.00 C ATOM 1443 C CYS A 93 12.738 8.893 -40.527 1.00 0.00 C ATOM 1444 O CYS A 93 12.864 7.684 -40.330 1.00 0.00 O ATOM 1445 CB CYS A 93 13.347 10.133 -38.441 1.00 0.00 C ATOM 1446 SG CYS A 93 14.838 10.859 -39.194 1.00 0.00 S ATOM 0 H CYS A 93 11.318 8.629 -37.982 1.00 0.00 H new ATOM 0 HA CYS A 93 11.906 10.763 -39.908 1.00 0.00 H new ATOM 0 HB2 CYS A 93 12.968 10.816 -37.680 1.00 0.00 H new ATOM 0 HB3 CYS A 93 13.623 9.210 -37.932 1.00 0.00 H new ATOM 0 HG CYS A 93 15.212 11.895 -38.504 1.00 0.00 H new ATOM 1451 N PRO A 94 13.042 9.460 -41.704 1.00 0.00 N ATOM 1452 CA PRO A 94 13.546 8.692 -42.847 1.00 0.00 C ATOM 1453 C PRO A 94 14.963 8.176 -42.619 1.00 0.00 C ATOM 1454 O PRO A 94 15.560 7.562 -43.503 1.00 0.00 O ATOM 1455 CB PRO A 94 13.524 9.706 -43.993 1.00 0.00 C ATOM 1456 CG PRO A 94 13.630 11.034 -43.326 1.00 0.00 C ATOM 1457 CD PRO A 94 12.917 10.895 -42.010 1.00 0.00 C ATOM 0 HA PRO A 94 12.946 7.802 -43.036 1.00 0.00 H new ATOM 0 HB2 PRO A 94 14.352 9.542 -44.683 1.00 0.00 H new ATOM 0 HB3 PRO A 94 12.605 9.627 -44.574 1.00 0.00 H new ATOM 0 HG2 PRO A 94 14.673 11.314 -43.177 1.00 0.00 H new ATOM 0 HG3 PRO A 94 13.175 11.814 -43.936 1.00 0.00 H new ATOM 0 HD2 PRO A 94 13.376 11.512 -41.237 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.873 11.201 -42.084 1.00 0.00 H new ATOM 1465 N PHE A 95 15.495 8.430 -41.428 1.00 0.00 N ATOM 1466 CA PHE A 95 16.843 7.992 -41.084 1.00 0.00 C ATOM 1467 C PHE A 95 16.805 6.690 -40.288 1.00 0.00 C ATOM 1468 O PHE A 95 16.049 6.542 -39.329 1.00 0.00 O ATOM 1469 CB PHE A 95 17.565 9.074 -40.279 1.00 0.00 C ATOM 1470 CG PHE A 95 19.060 9.023 -40.412 1.00 0.00 C ATOM 1471 CD1 PHE A 95 19.781 7.972 -39.869 1.00 0.00 C ATOM 1472 CD2 PHE A 95 19.744 10.027 -41.078 1.00 0.00 C ATOM 1473 CE1 PHE A 95 21.157 7.921 -39.990 1.00 0.00 C ATOM 1474 CE2 PHE A 95 21.120 9.982 -41.202 1.00 0.00 C ATOM 1475 CZ PHE A 95 21.828 8.928 -40.656 1.00 0.00 C ATOM 0 H PHE A 95 15.014 8.937 -40.685 1.00 0.00 H new ATOM 0 HA PHE A 95 17.388 7.815 -42.011 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.213 10.053 -40.604 1.00 0.00 H new ATOM 0 HB3 PHE A 95 17.298 8.972 -39.227 1.00 0.00 H new ATOM 0 HD1 PHE A 95 19.262 7.183 -39.345 1.00 0.00 H new ATOM 0 HD2 PHE A 95 19.196 10.854 -41.505 1.00 0.00 H new ATOM 0 HE1 PHE A 95 21.707 7.095 -39.564 1.00 0.00 H new ATOM 0 HE2 PHE A 95 21.641 10.770 -41.725 1.00 0.00 H new ATOM 0 HZ PHE A 95 22.903 8.892 -40.750 1.00 0.00 H new ATOM 1485 N PRO A 96 17.641 5.723 -40.696 1.00 0.00 N ATOM 1486 CA PRO A 96 17.722 4.417 -40.036 1.00 0.00 C ATOM 1487 C PRO A 96 18.347 4.508 -38.648 1.00 0.00 C ATOM 1488 O PRO A 96 17.765 4.053 -37.663 1.00 0.00 O ATOM 1489 CB PRO A 96 18.617 3.601 -40.972 1.00 0.00 C ATOM 1490 CG PRO A 96 19.443 4.615 -41.686 1.00 0.00 C ATOM 1491 CD PRO A 96 18.571 5.831 -41.833 1.00 0.00 C ATOM 0 HA PRO A 96 16.737 3.979 -39.877 1.00 0.00 H new ATOM 0 HB2 PRO A 96 19.242 2.903 -40.414 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.025 3.010 -41.670 1.00 0.00 H new ATOM 0 HG2 PRO A 96 20.347 4.849 -41.123 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.761 4.243 -42.660 1.00 0.00 H new ATOM 0 HD2 PRO A 96 19.154 6.751 -41.790 1.00 0.00 H new ATOM 0 HD3 PRO A 96 18.042 5.833 -42.786 1.00 0.00 H new ATOM 1499 N GLY A 97 19.536 5.098 -38.576 1.00 0.00 N ATOM 1500 CA GLY A 97 20.220 5.238 -37.303 1.00 0.00 C ATOM 1501 C GLY A 97 19.802 6.488 -36.555 1.00 0.00 C ATOM 1502 O GLY A 97 20.644 7.214 -36.025 1.00 0.00 O ATOM 0 H GLY A 97 20.038 5.482 -39.377 1.00 0.00 H new ATOM 0 HA2 GLY A 97 20.015 4.363 -36.686 1.00 0.00 H new ATOM 0 HA3 GLY A 97 21.296 5.263 -37.473 1.00 0.00 H new ATOM 1506 N CYS A 98 18.499 6.741 -36.511 1.00 0.00 N ATOM 1507 CA CYS A 98 17.970 7.913 -35.823 1.00 0.00 C ATOM 1508 C CYS A 98 16.771 7.540 -34.956 1.00 0.00 C ATOM 1509 O CYS A 98 16.678 7.947 -33.799 1.00 0.00 O ATOM 1510 CB CYS A 98 17.566 8.986 -36.837 1.00 0.00 C ATOM 1511 SG CYS A 98 17.201 10.609 -36.096 1.00 0.00 S ATOM 0 H CYS A 98 17.789 6.150 -36.944 1.00 0.00 H new ATOM 0 HA CYS A 98 18.754 8.309 -35.177 1.00 0.00 H new ATOM 0 HB2 CYS A 98 18.369 9.103 -37.565 1.00 0.00 H new ATOM 0 HB3 CYS A 98 16.688 8.642 -37.383 1.00 0.00 H new ATOM 0 HG CYS A 98 17.069 11.496 -37.037 1.00 0.00 H new ATOM 1516 N GLY A 99 15.854 6.763 -35.526 1.00 0.00 N ATOM 1517 CA GLY A 99 14.674 6.348 -34.791 1.00 0.00 C ATOM 1518 C GLY A 99 13.948 7.516 -34.152 1.00 0.00 C ATOM 1519 O GLY A 99 13.292 7.360 -33.121 1.00 0.00 O ATOM 0 H GLY A 99 15.908 6.414 -36.483 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.994 5.827 -35.465 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.963 5.637 -34.017 1.00 0.00 H new ATOM 1523 N LYS A 100 14.067 8.690 -34.763 1.00 0.00 N ATOM 1524 CA LYS A 100 13.418 9.890 -34.247 1.00 0.00 C ATOM 1525 C LYS A 100 12.087 10.134 -34.953 1.00 0.00 C ATOM 1526 O LYS A 100 11.908 9.752 -36.109 1.00 0.00 O ATOM 1527 CB LYS A 100 14.332 11.104 -34.424 1.00 0.00 C ATOM 1528 CG LYS A 100 13.654 12.427 -34.109 1.00 0.00 C ATOM 1529 CD LYS A 100 13.455 12.609 -32.614 1.00 0.00 C ATOM 1530 CE LYS A 100 13.504 14.078 -32.220 1.00 0.00 C ATOM 1531 NZ LYS A 100 13.754 14.253 -30.763 1.00 0.00 N ATOM 0 H LYS A 100 14.607 8.836 -35.616 1.00 0.00 H new ATOM 0 HA LYS A 100 13.224 9.741 -33.185 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.203 10.989 -33.779 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.696 11.127 -35.451 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.256 13.247 -34.499 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.689 12.472 -34.614 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.496 12.184 -32.319 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.226 12.060 -32.074 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.289 14.580 -32.786 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.562 14.557 -32.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.780 15.267 -30.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.992 13.796 -30.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.665 13.818 -30.512 1.00 0.00 H new ATOM 1545 N ILE A 101 11.159 10.774 -34.250 1.00 0.00 N ATOM 1546 CA ILE A 101 9.847 11.071 -34.810 1.00 0.00 C ATOM 1547 C ILE A 101 9.374 12.461 -34.397 1.00 0.00 C ATOM 1548 O ILE A 101 9.554 12.874 -33.251 1.00 0.00 O ATOM 1549 CB ILE A 101 8.798 10.032 -34.370 1.00 0.00 C ATOM 1550 CG1 ILE A 101 9.423 8.637 -34.315 1.00 0.00 C ATOM 1551 CG2 ILE A 101 7.607 10.049 -35.316 1.00 0.00 C ATOM 1552 CD1 ILE A 101 8.474 7.569 -33.816 1.00 0.00 C ATOM 0 H ILE A 101 11.292 11.097 -33.292 1.00 0.00 H new ATOM 0 HA ILE A 101 9.951 11.033 -35.894 1.00 0.00 H new ATOM 0 HB ILE A 101 8.447 10.291 -33.371 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.772 8.365 -35.311 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.299 8.665 -33.667 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.874 9.310 -34.992 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.151 11.039 -35.309 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.941 9.811 -36.326 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.984 6.606 -33.803 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.144 7.818 -32.808 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.609 7.513 -34.477 1.00 0.00 H new ATOM 1564 N PHE A 102 8.767 13.177 -35.337 1.00 0.00 N ATOM 1565 CA PHE A 102 8.268 14.521 -35.071 1.00 0.00 C ATOM 1566 C PHE A 102 6.784 14.627 -35.412 1.00 0.00 C ATOM 1567 O PHE A 102 6.251 13.816 -36.169 1.00 0.00 O ATOM 1568 CB PHE A 102 9.063 15.552 -35.874 1.00 0.00 C ATOM 1569 CG PHE A 102 10.541 15.290 -35.889 1.00 0.00 C ATOM 1570 CD1 PHE A 102 11.048 14.135 -36.462 1.00 0.00 C ATOM 1571 CD2 PHE A 102 11.425 16.199 -35.330 1.00 0.00 C ATOM 1572 CE1 PHE A 102 12.408 13.891 -36.478 1.00 0.00 C ATOM 1573 CE2 PHE A 102 12.786 15.961 -35.343 1.00 0.00 C ATOM 1574 CZ PHE A 102 13.279 14.805 -35.916 1.00 0.00 C ATOM 0 H PHE A 102 8.609 12.849 -36.290 1.00 0.00 H new ATOM 0 HA PHE A 102 8.394 14.725 -34.008 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.694 15.565 -36.900 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.882 16.543 -35.458 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.372 13.417 -36.902 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.046 17.104 -34.879 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.790 12.987 -36.929 1.00 0.00 H new ATOM 0 HE2 PHE A 102 13.464 16.679 -34.905 1.00 0.00 H new ATOM 0 HZ PHE A 102 14.342 14.616 -35.925 1.00 0.00 H new ATOM 1584 N ALA A 103 6.124 15.633 -34.848 1.00 0.00 N ATOM 1585 CA ALA A 103 4.703 15.847 -35.093 1.00 0.00 C ATOM 1586 C ALA A 103 4.483 16.963 -36.108 1.00 0.00 C ATOM 1587 O ALA A 103 3.378 17.138 -36.623 1.00 0.00 O ATOM 1588 CB ALA A 103 3.985 16.167 -33.790 1.00 0.00 C ATOM 0 H ALA A 103 6.551 16.313 -34.218 1.00 0.00 H new ATOM 0 HA ALA A 103 4.289 14.928 -35.507 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.925 16.324 -33.988 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.105 15.336 -33.095 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.410 17.070 -33.352 1.00 0.00 H new ATOM 1594 N ARG A 104 5.541 17.715 -36.393 1.00 0.00 N ATOM 1595 CA ARG A 104 5.462 18.815 -37.346 1.00 0.00 C ATOM 1596 C ARG A 104 6.235 18.486 -38.621 1.00 0.00 C ATOM 1597 O ARG A 104 7.360 17.991 -38.566 1.00 0.00 O ATOM 1598 CB ARG A 104 6.010 20.099 -36.722 1.00 0.00 C ATOM 1599 CG ARG A 104 5.603 21.361 -37.466 1.00 0.00 C ATOM 1600 CD ARG A 104 5.936 22.611 -36.667 1.00 0.00 C ATOM 1601 NE ARG A 104 5.614 23.832 -37.401 1.00 0.00 N ATOM 1602 CZ ARG A 104 6.196 25.003 -37.170 1.00 0.00 C ATOM 1603 NH1 ARG A 104 7.124 25.112 -36.230 1.00 0.00 N ATOM 1604 NH2 ARG A 104 5.849 26.069 -37.881 1.00 0.00 N ATOM 0 H ARG A 104 6.463 17.582 -35.977 1.00 0.00 H new ATOM 0 HA ARG A 104 4.414 18.964 -37.605 1.00 0.00 H new ATOM 0 HB2 ARG A 104 5.664 20.168 -35.691 1.00 0.00 H new ATOM 0 HB3 ARG A 104 7.098 20.041 -36.690 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.112 21.397 -38.429 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.533 21.334 -37.672 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.385 22.597 -35.727 1.00 0.00 H new ATOM 0 HD3 ARG A 104 6.997 22.608 -36.415 1.00 0.00 H new ATOM 0 HE ARG A 104 4.903 23.783 -38.131 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.393 24.295 -35.682 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.569 26.013 -36.055 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.135 25.989 -38.605 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.296 26.968 -37.703 1.00 0.00 H new ATOM 1618 N SER A 105 5.622 18.765 -39.767 1.00 0.00 N ATOM 1619 CA SER A 105 6.250 18.496 -41.055 1.00 0.00 C ATOM 1620 C SER A 105 7.519 19.324 -41.224 1.00 0.00 C ATOM 1621 O SER A 105 8.535 18.829 -41.713 1.00 0.00 O ATOM 1622 CB SER A 105 5.274 18.797 -42.194 1.00 0.00 C ATOM 1623 OG SER A 105 4.411 19.869 -41.856 1.00 0.00 O ATOM 0 H SER A 105 4.691 19.177 -39.830 1.00 0.00 H new ATOM 0 HA SER A 105 6.520 17.440 -41.087 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.830 19.045 -43.098 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.684 17.908 -42.417 1.00 0.00 H new ATOM 0 HG SER A 105 3.798 20.043 -42.601 1.00 0.00 H new ATOM 1629 N GLU A 106 7.453 20.587 -40.816 1.00 0.00 N ATOM 1630 CA GLU A 106 8.597 21.485 -40.923 1.00 0.00 C ATOM 1631 C GLU A 106 9.760 20.989 -40.069 1.00 0.00 C ATOM 1632 O GLU A 106 10.924 21.236 -40.382 1.00 0.00 O ATOM 1633 CB GLU A 106 8.205 22.901 -40.497 1.00 0.00 C ATOM 1634 CG GLU A 106 7.221 23.571 -41.442 1.00 0.00 C ATOM 1635 CD GLU A 106 7.781 23.743 -42.840 1.00 0.00 C ATOM 1636 OE1 GLU A 106 8.744 24.522 -43.001 1.00 0.00 O ATOM 1637 OE2 GLU A 106 7.257 23.100 -43.774 1.00 0.00 O ATOM 0 H GLU A 106 6.620 21.012 -40.408 1.00 0.00 H new ATOM 0 HA GLU A 106 8.915 21.502 -41.965 1.00 0.00 H new ATOM 0 HB2 GLU A 106 7.769 22.863 -39.499 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.104 23.513 -40.429 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.308 22.978 -41.491 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.946 24.547 -41.042 1.00 0.00 H new ATOM 1644 N ASN A 107 9.435 20.288 -38.987 1.00 0.00 N ATOM 1645 CA ASN A 107 10.452 19.757 -38.086 1.00 0.00 C ATOM 1646 C ASN A 107 11.210 18.606 -38.739 1.00 0.00 C ATOM 1647 O ASN A 107 12.439 18.624 -38.819 1.00 0.00 O ATOM 1648 CB ASN A 107 9.809 19.284 -36.781 1.00 0.00 C ATOM 1649 CG ASN A 107 9.640 20.409 -35.778 1.00 0.00 C ATOM 1650 OD1 ASN A 107 9.935 20.249 -34.593 1.00 0.00 O ATOM 1651 ND2 ASN A 107 9.164 21.556 -36.250 1.00 0.00 N ATOM 0 H ASN A 107 8.476 20.075 -38.713 1.00 0.00 H new ATOM 0 HA ASN A 107 11.160 20.556 -37.866 1.00 0.00 H new ATOM 0 HB2 ASN A 107 8.835 18.845 -36.997 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.423 18.498 -36.341 1.00 0.00 H new ATOM 0 HD21 ASN A 107 9.030 22.349 -35.623 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.933 21.644 -37.240 1.00 0.00 H new ATOM 1658 N LEU A 108 10.470 17.606 -39.205 1.00 0.00 N ATOM 1659 CA LEU A 108 11.072 16.446 -39.852 1.00 0.00 C ATOM 1660 C LEU A 108 11.914 16.867 -41.053 1.00 0.00 C ATOM 1661 O LEU A 108 13.055 16.432 -41.209 1.00 0.00 O ATOM 1662 CB LEU A 108 9.986 15.464 -40.296 1.00 0.00 C ATOM 1663 CG LEU A 108 10.475 14.111 -40.813 1.00 0.00 C ATOM 1664 CD1 LEU A 108 11.673 13.633 -40.007 1.00 0.00 C ATOM 1665 CD2 LEU A 108 9.353 13.084 -40.764 1.00 0.00 C ATOM 0 H LEU A 108 9.452 17.575 -39.147 1.00 0.00 H new ATOM 0 HA LEU A 108 11.724 15.956 -39.129 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.317 15.288 -39.454 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.394 15.938 -41.080 1.00 0.00 H new ATOM 0 HG LEU A 108 10.786 14.231 -41.851 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.007 12.669 -40.389 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.482 14.358 -40.094 1.00 0.00 H new ATOM 0 HD13 LEU A 108 11.389 13.530 -38.960 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.719 12.127 -41.136 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.011 12.967 -39.736 1.00 0.00 H new ATOM 0 HD23 LEU A 108 8.524 13.421 -41.386 1.00 0.00 H new ATOM 1677 N LYS A 109 11.344 17.719 -41.898 1.00 0.00 N ATOM 1678 CA LYS A 109 12.042 18.204 -43.083 1.00 0.00 C ATOM 1679 C LYS A 109 13.291 18.989 -42.697 1.00 0.00 C ATOM 1680 O LYS A 109 14.367 18.775 -43.256 1.00 0.00 O ATOM 1681 CB LYS A 109 11.113 19.084 -43.923 1.00 0.00 C ATOM 1682 CG LYS A 109 11.166 20.555 -43.548 1.00 0.00 C ATOM 1683 CD LYS A 109 10.197 21.378 -44.380 1.00 0.00 C ATOM 1684 CE LYS A 109 10.790 21.737 -45.734 1.00 0.00 C ATOM 1685 NZ LYS A 109 11.617 22.973 -45.667 1.00 0.00 N ATOM 0 H LYS A 109 10.400 18.088 -41.784 1.00 0.00 H new ATOM 0 HA LYS A 109 12.346 17.340 -43.673 1.00 0.00 H new ATOM 0 HB2 LYS A 109 11.377 18.976 -44.975 1.00 0.00 H new ATOM 0 HB3 LYS A 109 10.089 18.726 -43.813 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.928 20.671 -42.491 1.00 0.00 H new ATOM 0 HG3 LYS A 109 12.179 20.931 -43.690 1.00 0.00 H new ATOM 0 HD2 LYS A 109 9.273 20.818 -44.523 1.00 0.00 H new ATOM 0 HD3 LYS A 109 9.937 22.290 -43.842 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.402 20.910 -46.093 1.00 0.00 H new ATOM 0 HE3 LYS A 109 9.986 21.877 -46.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 12.331 22.955 -46.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 11.006 23.806 -45.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.093 23.023 -44.743 1.00 0.00 H new ATOM 1699 N ILE A 110 13.141 19.895 -41.737 1.00 0.00 N ATOM 1700 CA ILE A 110 14.258 20.709 -41.274 1.00 0.00 C ATOM 1701 C ILE A 110 15.270 19.867 -40.504 1.00 0.00 C ATOM 1702 O ILE A 110 16.459 20.187 -40.466 1.00 0.00 O ATOM 1703 CB ILE A 110 13.779 21.865 -40.376 1.00 0.00 C ATOM 1704 CG1 ILE A 110 12.938 22.854 -41.186 1.00 0.00 C ATOM 1705 CG2 ILE A 110 14.968 22.569 -39.740 1.00 0.00 C ATOM 1706 CD1 ILE A 110 11.986 23.671 -40.340 1.00 0.00 C ATOM 0 H ILE A 110 12.257 20.084 -41.265 1.00 0.00 H new ATOM 0 HA ILE A 110 14.735 21.124 -42.162 1.00 0.00 H new ATOM 0 HB ILE A 110 13.157 21.454 -39.581 1.00 0.00 H new ATOM 0 HG12 ILE A 110 13.603 23.529 -41.725 1.00 0.00 H new ATOM 0 HG13 ILE A 110 12.367 22.305 -41.935 1.00 0.00 H new ATOM 0 HG21 ILE A 110 14.613 23.383 -39.108 1.00 0.00 H new ATOM 0 HG22 ILE A 110 15.530 21.858 -39.134 1.00 0.00 H new ATOM 0 HG23 ILE A 110 15.614 22.970 -40.521 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.422 24.350 -40.979 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.296 23.005 -39.822 1.00 0.00 H new ATOM 0 HD13 ILE A 110 12.552 24.247 -39.608 1.00 0.00 H new ATOM 1718 N HIS A 111 14.790 18.789 -39.892 1.00 0.00 N ATOM 1719 CA HIS A 111 15.654 17.899 -39.124 1.00 0.00 C ATOM 1720 C HIS A 111 16.373 16.915 -40.042 1.00 0.00 C ATOM 1721 O HIS A 111 17.453 16.421 -39.715 1.00 0.00 O ATOM 1722 CB HIS A 111 14.836 17.137 -38.080 1.00 0.00 C ATOM 1723 CG HIS A 111 15.465 15.846 -37.653 1.00 0.00 C ATOM 1724 ND1 HIS A 111 16.423 15.767 -36.664 1.00 0.00 N ATOM 1725 CD2 HIS A 111 15.267 14.579 -38.085 1.00 0.00 C ATOM 1726 CE1 HIS A 111 16.788 14.507 -36.507 1.00 0.00 C ATOM 1727 NE2 HIS A 111 16.101 13.766 -37.357 1.00 0.00 N ATOM 0 H HIS A 111 13.809 18.511 -39.913 1.00 0.00 H new ATOM 0 HA HIS A 111 16.402 18.507 -38.616 1.00 0.00 H new ATOM 0 HB2 HIS A 111 14.698 17.772 -37.205 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.845 16.933 -38.485 1.00 0.00 H new ATOM 0 HD1 HIS A 111 16.792 16.558 -36.136 1.00 0.00 H new ATOM 0 HD2 HIS A 111 14.581 14.266 -38.858 1.00 0.00 H new ATOM 0 HE1 HIS A 111 17.523 14.145 -35.803 1.00 0.00 H new ATOM 1735 N LYS A 112 15.768 16.634 -41.190 1.00 0.00 N ATOM 1736 CA LYS A 112 16.350 15.709 -42.156 1.00 0.00 C ATOM 1737 C LYS A 112 17.522 16.355 -42.889 1.00 0.00 C ATOM 1738 O LYS A 112 18.443 15.668 -43.331 1.00 0.00 O ATOM 1739 CB LYS A 112 15.290 15.259 -43.165 1.00 0.00 C ATOM 1740 CG LYS A 112 14.325 14.225 -42.611 1.00 0.00 C ATOM 1741 CD LYS A 112 12.971 14.304 -43.297 1.00 0.00 C ATOM 1742 CE LYS A 112 13.097 14.126 -44.802 1.00 0.00 C ATOM 1743 NZ LYS A 112 13.300 15.426 -45.499 1.00 0.00 N ATOM 0 H LYS A 112 14.874 17.034 -41.475 1.00 0.00 H new ATOM 0 HA LYS A 112 16.718 14.839 -41.612 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.725 16.129 -43.499 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.788 14.846 -44.043 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.744 13.227 -42.743 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.201 14.379 -41.539 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.312 13.536 -42.893 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.508 15.267 -43.081 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.934 13.462 -45.020 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.199 13.644 -45.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.542 15.568 -46.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.280 16.199 -44.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.220 15.420 -45.984 1.00 0.00 H new ATOM 1757 N ARG A 113 17.481 17.677 -43.011 1.00 0.00 N ATOM 1758 CA ARG A 113 18.540 18.414 -43.690 1.00 0.00 C ATOM 1759 C ARG A 113 19.798 18.476 -42.828 1.00 0.00 C ATOM 1760 O ARG A 113 20.894 18.736 -43.326 1.00 0.00 O ATOM 1761 CB ARG A 113 18.070 19.831 -44.026 1.00 0.00 C ATOM 1762 CG ARG A 113 17.399 20.542 -42.863 1.00 0.00 C ATOM 1763 CD ARG A 113 17.159 22.012 -43.173 1.00 0.00 C ATOM 1764 NE ARG A 113 16.043 22.201 -44.096 1.00 0.00 N ATOM 1765 CZ ARG A 113 15.512 23.387 -44.373 1.00 0.00 C ATOM 1766 NH1 ARG A 113 15.992 24.482 -43.801 1.00 0.00 N ATOM 1767 NH2 ARG A 113 14.499 23.479 -45.225 1.00 0.00 N ATOM 0 H ARG A 113 16.726 18.260 -42.649 1.00 0.00 H new ATOM 0 HA ARG A 113 18.779 17.888 -44.615 1.00 0.00 H new ATOM 0 HB2 ARG A 113 18.926 20.420 -44.356 1.00 0.00 H new ATOM 0 HB3 ARG A 113 17.373 19.785 -44.863 1.00 0.00 H new ATOM 0 HG2 ARG A 113 16.449 20.057 -42.637 1.00 0.00 H new ATOM 0 HG3 ARG A 113 18.022 20.454 -41.973 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.958 22.550 -42.246 1.00 0.00 H new ATOM 0 HD3 ARG A 113 18.063 22.444 -43.603 1.00 0.00 H new ATOM 0 HE ARG A 113 15.650 21.378 -44.553 1.00 0.00 H new ATOM 0 HH11 ARG A 113 16.771 24.416 -43.146 1.00 0.00 H new ATOM 0 HH12 ARG A 113 15.582 25.391 -44.016 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.127 22.639 -45.668 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.092 24.390 -45.437 1.00 0.00 H new ATOM 1884 N PHE A 121 28.329 5.116 -41.039 1.00 0.00 N ATOM 1885 CA PHE A 121 29.330 4.186 -41.548 1.00 0.00 C ATOM 1886 C PHE A 121 30.475 4.935 -42.224 1.00 0.00 C ATOM 1887 O PHE A 121 30.257 5.741 -43.129 1.00 0.00 O ATOM 1888 CB PHE A 121 28.691 3.208 -42.537 1.00 0.00 C ATOM 1889 CG PHE A 121 27.663 2.309 -41.912 1.00 0.00 C ATOM 1890 CD1 PHE A 121 28.048 1.174 -41.216 1.00 0.00 C ATOM 1891 CD2 PHE A 121 26.313 2.598 -42.020 1.00 0.00 C ATOM 1892 CE1 PHE A 121 27.105 0.344 -40.639 1.00 0.00 C ATOM 1893 CE2 PHE A 121 25.365 1.773 -41.444 1.00 0.00 C ATOM 1894 CZ PHE A 121 25.762 0.644 -40.755 1.00 0.00 C ATOM 0 HA PHE A 121 29.734 3.627 -40.704 1.00 0.00 H new ATOM 0 HB2 PHE A 121 28.225 3.773 -43.344 1.00 0.00 H new ATOM 0 HB3 PHE A 121 29.473 2.595 -42.986 1.00 0.00 H new ATOM 0 HD1 PHE A 121 29.097 0.935 -41.123 1.00 0.00 H new ATOM 0 HD2 PHE A 121 25.997 3.478 -42.560 1.00 0.00 H new ATOM 0 HE1 PHE A 121 27.418 -0.537 -40.099 1.00 0.00 H new ATOM 0 HE2 PHE A 121 24.315 2.011 -41.533 1.00 0.00 H new ATOM 0 HZ PHE A 121 25.023 -0.004 -40.307 1.00 0.00 H new ATOM 1904 N LYS A 122 31.696 4.663 -41.778 1.00 0.00 N ATOM 1905 CA LYS A 122 32.877 5.309 -42.338 1.00 0.00 C ATOM 1906 C LYS A 122 33.866 4.273 -42.863 1.00 0.00 C ATOM 1907 O LYS A 122 34.231 3.333 -42.156 1.00 0.00 O ATOM 1908 CB LYS A 122 33.554 6.185 -41.281 1.00 0.00 C ATOM 1909 CG LYS A 122 34.410 7.294 -41.868 1.00 0.00 C ATOM 1910 CD LYS A 122 35.128 8.079 -40.783 1.00 0.00 C ATOM 1911 CE LYS A 122 34.181 9.024 -40.060 1.00 0.00 C ATOM 1912 NZ LYS A 122 33.984 10.294 -40.813 1.00 0.00 N ATOM 0 H LYS A 122 31.894 3.999 -41.030 1.00 0.00 H new ATOM 0 HA LYS A 122 32.557 5.936 -43.171 1.00 0.00 H new ATOM 0 HB2 LYS A 122 32.789 6.627 -40.643 1.00 0.00 H new ATOM 0 HB3 LYS A 122 34.176 5.556 -40.644 1.00 0.00 H new ATOM 0 HG2 LYS A 122 35.142 6.866 -42.553 1.00 0.00 H new ATOM 0 HG3 LYS A 122 33.783 7.968 -42.452 1.00 0.00 H new ATOM 0 HD2 LYS A 122 35.572 7.388 -40.066 1.00 0.00 H new ATOM 0 HD3 LYS A 122 35.945 8.649 -41.225 1.00 0.00 H new ATOM 0 HE2 LYS A 122 33.218 8.534 -39.916 1.00 0.00 H new ATOM 0 HE3 LYS A 122 34.576 9.247 -39.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 33.332 10.911 -40.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 34.899 10.775 -40.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 33.583 10.084 -41.749 1.00 0.00 H new ATOM 1926 N CYS A 123 34.298 4.452 -44.107 1.00 0.00 N ATOM 1927 CA CYS A 123 35.246 3.534 -44.727 1.00 0.00 C ATOM 1928 C CYS A 123 36.271 3.040 -43.710 1.00 0.00 C ATOM 1929 O CYS A 123 36.947 3.837 -43.059 1.00 0.00 O ATOM 1930 CB CYS A 123 35.960 4.217 -45.896 1.00 0.00 C ATOM 1931 SG CYS A 123 36.900 3.077 -46.961 1.00 0.00 S ATOM 0 H CYS A 123 34.006 5.225 -44.706 1.00 0.00 H new ATOM 0 HA CYS A 123 34.689 2.675 -45.101 1.00 0.00 H new ATOM 0 HB2 CYS A 123 35.221 4.739 -46.504 1.00 0.00 H new ATOM 0 HB3 CYS A 123 36.640 4.972 -45.501 1.00 0.00 H new ATOM 0 HG CYS A 123 38.014 3.641 -47.323 1.00 0.00 H new ATOM 1936 N GLU A 124 36.379 1.722 -43.579 1.00 0.00 N ATOM 1937 CA GLU A 124 37.321 1.123 -42.641 1.00 0.00 C ATOM 1938 C GLU A 124 38.742 1.161 -43.197 1.00 0.00 C ATOM 1939 O GLU A 124 39.697 0.784 -42.517 1.00 0.00 O ATOM 1940 CB GLU A 124 36.920 -0.322 -42.334 1.00 0.00 C ATOM 1941 CG GLU A 124 35.426 -0.508 -42.130 1.00 0.00 C ATOM 1942 CD GLU A 124 35.105 -1.652 -41.187 1.00 0.00 C ATOM 1943 OE1 GLU A 124 35.505 -1.579 -40.007 1.00 0.00 O ATOM 1944 OE2 GLU A 124 34.451 -2.620 -41.631 1.00 0.00 O ATOM 0 H GLU A 124 35.826 1.049 -44.110 1.00 0.00 H new ATOM 0 HA GLU A 124 37.295 1.704 -41.719 1.00 0.00 H new ATOM 0 HB2 GLU A 124 37.249 -0.963 -43.152 1.00 0.00 H new ATOM 0 HB3 GLU A 124 37.445 -0.653 -41.438 1.00 0.00 H new ATOM 0 HG2 GLU A 124 34.999 0.414 -41.735 1.00 0.00 H new ATOM 0 HG3 GLU A 124 34.951 -0.692 -43.094 1.00 0.00 H new ATOM 1951 N PHE A 125 38.873 1.618 -44.438 1.00 0.00 N ATOM 1952 CA PHE A 125 40.176 1.704 -45.087 1.00 0.00 C ATOM 1953 C PHE A 125 40.986 2.870 -44.527 1.00 0.00 C ATOM 1954 O PHE A 125 40.547 4.019 -44.564 1.00 0.00 O ATOM 1955 CB PHE A 125 40.007 1.865 -46.599 1.00 0.00 C ATOM 1956 CG PHE A 125 41.137 1.278 -47.395 1.00 0.00 C ATOM 1957 CD1 PHE A 125 41.144 -0.068 -47.723 1.00 0.00 C ATOM 1958 CD2 PHE A 125 42.193 2.071 -47.814 1.00 0.00 C ATOM 1959 CE1 PHE A 125 42.183 -0.612 -48.455 1.00 0.00 C ATOM 1960 CE2 PHE A 125 43.234 1.534 -48.546 1.00 0.00 C ATOM 1961 CZ PHE A 125 43.229 0.190 -48.868 1.00 0.00 C ATOM 0 H PHE A 125 38.093 1.934 -45.014 1.00 0.00 H new ATOM 0 HA PHE A 125 40.716 0.779 -44.886 1.00 0.00 H new ATOM 0 HB2 PHE A 125 39.074 1.392 -46.905 1.00 0.00 H new ATOM 0 HB3 PHE A 125 39.919 2.925 -46.836 1.00 0.00 H new ATOM 0 HD1 PHE A 125 40.328 -0.700 -47.403 1.00 0.00 H new ATOM 0 HD2 PHE A 125 42.202 3.122 -47.565 1.00 0.00 H new ATOM 0 HE1 PHE A 125 42.177 -1.663 -48.704 1.00 0.00 H new ATOM 0 HE2 PHE A 125 44.051 2.164 -48.866 1.00 0.00 H new ATOM 0 HZ PHE A 125 44.041 -0.232 -49.441 1.00 0.00 H new ATOM 1971 N GLU A 126 42.172 2.564 -44.010 1.00 0.00 N ATOM 1972 CA GLU A 126 43.043 3.586 -43.441 1.00 0.00 C ATOM 1973 C GLU A 126 43.506 4.566 -44.516 1.00 0.00 C ATOM 1974 O GLU A 126 43.862 4.166 -45.624 1.00 0.00 O ATOM 1975 CB GLU A 126 44.256 2.939 -42.770 1.00 0.00 C ATOM 1976 CG GLU A 126 45.437 3.881 -42.608 1.00 0.00 C ATOM 1977 CD GLU A 126 45.112 5.080 -41.740 1.00 0.00 C ATOM 1978 OE1 GLU A 126 43.962 5.174 -41.262 1.00 0.00 O ATOM 1979 OE2 GLU A 126 46.009 5.927 -41.538 1.00 0.00 O ATOM 0 H GLU A 126 42.551 1.618 -43.973 1.00 0.00 H new ATOM 0 HA GLU A 126 42.473 4.136 -42.692 1.00 0.00 H new ATOM 0 HB2 GLU A 126 43.962 2.567 -41.789 1.00 0.00 H new ATOM 0 HB3 GLU A 126 44.568 2.076 -43.358 1.00 0.00 H new ATOM 0 HG2 GLU A 126 46.274 3.337 -42.170 1.00 0.00 H new ATOM 0 HG3 GLU A 126 45.760 4.225 -43.591 1.00 0.00 H new ATOM 1986 N GLY A 127 43.498 5.852 -44.180 1.00 0.00 N ATOM 1987 CA GLY A 127 43.918 6.869 -45.126 1.00 0.00 C ATOM 1988 C GLY A 127 42.860 7.160 -46.172 1.00 0.00 C ATOM 1989 O GLY A 127 43.156 7.729 -47.223 1.00 0.00 O ATOM 0 H GLY A 127 43.208 6.208 -43.269 1.00 0.00 H new ATOM 0 HA2 GLY A 127 44.154 7.787 -44.587 1.00 0.00 H new ATOM 0 HA3 GLY A 127 44.834 6.545 -45.620 1.00 0.00 H new ATOM 1993 N CYS A 128 41.624 6.767 -45.886 1.00 0.00 N ATOM 1994 CA CYS A 128 40.518 6.986 -46.811 1.00 0.00 C ATOM 1995 C CYS A 128 39.424 7.828 -46.160 1.00 0.00 C ATOM 1996 O CYS A 128 39.133 7.677 -44.974 1.00 0.00 O ATOM 1997 CB CYS A 128 39.939 5.647 -47.273 1.00 0.00 C ATOM 1998 SG CYS A 128 39.082 5.723 -48.879 1.00 0.00 S ATOM 0 H CYS A 128 41.362 6.295 -45.021 1.00 0.00 H new ATOM 0 HA CYS A 128 40.902 7.526 -47.676 1.00 0.00 H new ATOM 0 HB2 CYS A 128 40.746 4.917 -47.338 1.00 0.00 H new ATOM 0 HB3 CYS A 128 39.242 5.285 -46.518 1.00 0.00 H new ATOM 0 HG CYS A 128 39.957 5.698 -49.840 1.00 0.00 H new ATOM 2003 N ASP A 129 38.821 8.714 -46.946 1.00 0.00 N ATOM 2004 CA ASP A 129 37.759 9.579 -46.447 1.00 0.00 C ATOM 2005 C ASP A 129 36.481 9.393 -47.260 1.00 0.00 C ATOM 2006 O ASP A 129 36.406 9.801 -48.419 1.00 0.00 O ATOM 2007 CB ASP A 129 38.199 11.043 -46.495 1.00 0.00 C ATOM 2008 CG ASP A 129 38.549 11.497 -47.898 1.00 0.00 C ATOM 2009 OD1 ASP A 129 39.067 10.670 -48.677 1.00 0.00 O ATOM 2010 OD2 ASP A 129 38.306 12.680 -48.217 1.00 0.00 O ATOM 0 H ASP A 129 39.050 8.852 -47.930 1.00 0.00 H new ATOM 0 HA ASP A 129 37.555 9.303 -45.412 1.00 0.00 H new ATOM 0 HB2 ASP A 129 37.401 11.672 -46.101 1.00 0.00 H new ATOM 0 HB3 ASP A 129 39.063 11.181 -45.845 1.00 0.00 H new ATOM 2015 N ARG A 130 35.479 8.775 -46.644 1.00 0.00 N ATOM 2016 CA ARG A 130 34.205 8.533 -47.311 1.00 0.00 C ATOM 2017 C ARG A 130 33.046 8.635 -46.323 1.00 0.00 C ATOM 2018 O ARG A 130 33.243 8.954 -45.151 1.00 0.00 O ATOM 2019 CB ARG A 130 34.205 7.154 -47.972 1.00 0.00 C ATOM 2020 CG ARG A 130 35.405 6.910 -48.873 1.00 0.00 C ATOM 2021 CD ARG A 130 35.298 7.698 -50.169 1.00 0.00 C ATOM 2022 NE ARG A 130 36.585 7.812 -50.849 1.00 0.00 N ATOM 2023 CZ ARG A 130 36.790 8.584 -51.911 1.00 0.00 C ATOM 2024 NH1 ARG A 130 35.797 9.306 -52.411 1.00 0.00 N ATOM 2025 NH2 ARG A 130 37.990 8.634 -52.474 1.00 0.00 N ATOM 0 H ARG A 130 35.524 8.433 -45.684 1.00 0.00 H new ATOM 0 HA ARG A 130 34.075 9.296 -48.078 1.00 0.00 H new ATOM 0 HB2 ARG A 130 34.182 6.389 -47.196 1.00 0.00 H new ATOM 0 HB3 ARG A 130 33.293 7.041 -48.558 1.00 0.00 H new ATOM 0 HG2 ARG A 130 36.318 7.192 -48.349 1.00 0.00 H new ATOM 0 HG3 ARG A 130 35.482 5.846 -49.098 1.00 0.00 H new ATOM 0 HD2 ARG A 130 34.581 7.212 -50.830 1.00 0.00 H new ATOM 0 HD3 ARG A 130 34.911 8.695 -49.956 1.00 0.00 H new ATOM 0 HE ARG A 130 37.370 7.269 -50.489 1.00 0.00 H new ATOM 0 HH11 ARG A 130 34.873 9.270 -51.980 1.00 0.00 H new ATOM 0 HH12 ARG A 130 35.957 9.898 -53.226 1.00 0.00 H new ATOM 0 HH21 ARG A 130 38.756 8.080 -52.092 1.00 0.00 H new ATOM 0 HH22 ARG A 130 38.147 9.227 -53.289 1.00 0.00 H new ATOM 2039 N ARG A 131 31.838 8.362 -46.806 1.00 0.00 N ATOM 2040 CA ARG A 131 30.648 8.425 -45.967 1.00 0.00 C ATOM 2041 C ARG A 131 29.556 7.504 -46.502 1.00 0.00 C ATOM 2042 O ARG A 131 29.116 7.643 -47.644 1.00 0.00 O ATOM 2043 CB ARG A 131 30.127 9.862 -45.891 1.00 0.00 C ATOM 2044 CG ARG A 131 31.226 10.911 -45.926 1.00 0.00 C ATOM 2045 CD ARG A 131 30.662 12.314 -45.764 1.00 0.00 C ATOM 2046 NE ARG A 131 31.716 13.320 -45.671 1.00 0.00 N ATOM 2047 CZ ARG A 131 32.417 13.550 -44.567 1.00 0.00 C ATOM 2048 NH1 ARG A 131 32.178 12.849 -43.468 1.00 0.00 N ATOM 2049 NH2 ARG A 131 33.360 14.483 -44.561 1.00 0.00 N ATOM 0 H ARG A 131 31.658 8.095 -47.774 1.00 0.00 H new ATOM 0 HA ARG A 131 30.922 8.092 -44.966 1.00 0.00 H new ATOM 0 HB2 ARG A 131 29.444 10.036 -46.722 1.00 0.00 H new ATOM 0 HB3 ARG A 131 29.551 9.982 -44.974 1.00 0.00 H new ATOM 0 HG2 ARG A 131 31.945 10.713 -45.131 1.00 0.00 H new ATOM 0 HG3 ARG A 131 31.767 10.842 -46.870 1.00 0.00 H new ATOM 0 HD2 ARG A 131 30.015 12.544 -46.610 1.00 0.00 H new ATOM 0 HD3 ARG A 131 30.042 12.354 -44.868 1.00 0.00 H new ATOM 0 HE ARG A 131 31.925 13.877 -46.500 1.00 0.00 H new ATOM 0 HH11 ARG A 131 31.454 12.131 -43.469 1.00 0.00 H new ATOM 0 HH12 ARG A 131 32.718 13.028 -42.621 1.00 0.00 H new ATOM 0 HH21 ARG A 131 33.547 15.024 -45.405 1.00 0.00 H new ATOM 0 HH22 ARG A 131 33.898 14.659 -43.712 1.00 0.00 H new ATOM 2063 N PHE A 132 29.123 6.562 -45.670 1.00 0.00 N ATOM 2064 CA PHE A 132 28.084 5.617 -46.060 1.00 0.00 C ATOM 2065 C PHE A 132 26.962 5.584 -45.026 1.00 0.00 C ATOM 2066 O PHE A 132 27.162 5.947 -43.867 1.00 0.00 O ATOM 2067 CB PHE A 132 28.676 4.216 -46.230 1.00 0.00 C ATOM 2068 CG PHE A 132 29.943 4.196 -47.038 1.00 0.00 C ATOM 2069 CD1 PHE A 132 29.903 4.332 -48.416 1.00 0.00 C ATOM 2070 CD2 PHE A 132 31.172 4.040 -46.419 1.00 0.00 C ATOM 2071 CE1 PHE A 132 31.066 4.312 -49.162 1.00 0.00 C ATOM 2072 CE2 PHE A 132 32.339 4.021 -47.160 1.00 0.00 C ATOM 2073 CZ PHE A 132 32.286 4.158 -48.533 1.00 0.00 C ATOM 0 H PHE A 132 29.476 6.433 -44.722 1.00 0.00 H new ATOM 0 HA PHE A 132 27.668 5.947 -47.012 1.00 0.00 H new ATOM 0 HB2 PHE A 132 28.875 3.792 -45.246 1.00 0.00 H new ATOM 0 HB3 PHE A 132 27.938 3.574 -46.710 1.00 0.00 H new ATOM 0 HD1 PHE A 132 28.952 4.455 -48.913 1.00 0.00 H new ATOM 0 HD2 PHE A 132 31.219 3.932 -45.345 1.00 0.00 H new ATOM 0 HE1 PHE A 132 31.021 4.417 -50.236 1.00 0.00 H new ATOM 0 HE2 PHE A 132 33.291 3.899 -46.665 1.00 0.00 H new ATOM 0 HZ PHE A 132 33.196 4.145 -49.114 1.00 0.00 H new ATOM 2083 N ALA A 133 25.782 5.148 -45.454 1.00 0.00 N ATOM 2084 CA ALA A 133 24.630 5.066 -44.566 1.00 0.00 C ATOM 2085 C ALA A 133 24.299 3.616 -44.228 1.00 0.00 C ATOM 2086 O ALA A 133 23.642 3.337 -43.226 1.00 0.00 O ATOM 2087 CB ALA A 133 23.427 5.750 -45.199 1.00 0.00 C ATOM 0 H ALA A 133 25.599 4.846 -46.411 1.00 0.00 H new ATOM 0 HA ALA A 133 24.880 5.580 -43.638 1.00 0.00 H new ATOM 0 HB1 ALA A 133 22.573 5.681 -44.525 1.00 0.00 H new ATOM 0 HB2 ALA A 133 23.660 6.799 -45.384 1.00 0.00 H new ATOM 0 HB3 ALA A 133 23.185 5.261 -46.142 1.00 0.00 H new ATOM 2093 N ASN A 134 24.757 2.697 -45.072 1.00 0.00 N ATOM 2094 CA ASN A 134 24.508 1.276 -44.862 1.00 0.00 C ATOM 2095 C ASN A 134 25.786 0.465 -45.058 1.00 0.00 C ATOM 2096 O ASN A 134 26.483 0.619 -46.061 1.00 0.00 O ATOM 2097 CB ASN A 134 23.424 0.780 -45.821 1.00 0.00 C ATOM 2098 CG ASN A 134 23.804 0.979 -47.276 1.00 0.00 C ATOM 2099 OD1 ASN A 134 24.163 0.028 -47.971 1.00 0.00 O ATOM 2100 ND2 ASN A 134 23.727 2.220 -47.743 1.00 0.00 N ATOM 0 H ASN A 134 25.302 2.911 -45.907 1.00 0.00 H new ATOM 0 HA ASN A 134 24.166 1.140 -43.836 1.00 0.00 H new ATOM 0 HB2 ASN A 134 23.238 -0.278 -45.638 1.00 0.00 H new ATOM 0 HB3 ASN A 134 22.492 1.308 -45.616 1.00 0.00 H new ATOM 0 HD21 ASN A 134 23.971 2.416 -48.714 1.00 0.00 H new ATOM 0 HD22 ASN A 134 23.424 2.977 -47.131 1.00 0.00 H new ATOM 2107 N SER A 135 26.086 -0.399 -44.094 1.00 0.00 N ATOM 2108 CA SER A 135 27.281 -1.232 -44.159 1.00 0.00 C ATOM 2109 C SER A 135 27.459 -1.820 -45.555 1.00 0.00 C ATOM 2110 O SER A 135 28.569 -1.866 -46.085 1.00 0.00 O ATOM 2111 CB SER A 135 27.200 -2.358 -43.126 1.00 0.00 C ATOM 2112 OG SER A 135 27.659 -1.922 -41.859 1.00 0.00 O ATOM 0 H SER A 135 25.518 -0.541 -43.259 1.00 0.00 H new ATOM 0 HA SER A 135 28.144 -0.604 -43.936 1.00 0.00 H new ATOM 0 HB2 SER A 135 26.170 -2.706 -43.043 1.00 0.00 H new ATOM 0 HB3 SER A 135 27.797 -3.206 -43.460 1.00 0.00 H new ATOM 0 HG SER A 135 27.614 -0.944 -41.813 1.00 0.00 H new ATOM 2118 N SER A 136 26.356 -2.268 -46.147 1.00 0.00 N ATOM 2119 CA SER A 136 26.389 -2.856 -47.481 1.00 0.00 C ATOM 2120 C SER A 136 27.184 -1.978 -48.442 1.00 0.00 C ATOM 2121 O SER A 136 28.135 -2.435 -49.077 1.00 0.00 O ATOM 2122 CB SER A 136 24.968 -3.054 -48.010 1.00 0.00 C ATOM 2123 OG SER A 136 24.086 -3.442 -46.970 1.00 0.00 O ATOM 0 H SER A 136 25.429 -2.235 -45.724 1.00 0.00 H new ATOM 0 HA SER A 136 26.881 -3.826 -47.411 1.00 0.00 H new ATOM 0 HB2 SER A 136 24.614 -2.129 -48.465 1.00 0.00 H new ATOM 0 HB3 SER A 136 24.970 -3.814 -48.792 1.00 0.00 H new ATOM 0 HG SER A 136 23.184 -3.561 -47.334 1.00 0.00 H new ATOM 2129 N ASP A 137 26.787 -0.714 -48.544 1.00 0.00 N ATOM 2130 CA ASP A 137 27.462 0.230 -49.427 1.00 0.00 C ATOM 2131 C ASP A 137 28.952 0.304 -49.107 1.00 0.00 C ATOM 2132 O ASP A 137 29.795 0.158 -49.993 1.00 0.00 O ATOM 2133 CB ASP A 137 26.831 1.618 -49.302 1.00 0.00 C ATOM 2134 CG ASP A 137 26.986 2.441 -50.566 1.00 0.00 C ATOM 2135 OD1 ASP A 137 27.326 1.857 -51.617 1.00 0.00 O ATOM 2136 OD2 ASP A 137 26.767 3.668 -50.505 1.00 0.00 O ATOM 0 H ASP A 137 26.002 -0.320 -48.026 1.00 0.00 H new ATOM 0 HA ASP A 137 27.346 -0.122 -50.452 1.00 0.00 H new ATOM 0 HB2 ASP A 137 25.772 1.512 -49.068 1.00 0.00 H new ATOM 0 HB3 ASP A 137 27.290 2.149 -48.468 1.00 0.00 H new ATOM 2141 N ARG A 138 29.268 0.533 -47.837 1.00 0.00 N ATOM 2142 CA ARG A 138 30.656 0.628 -47.401 1.00 0.00 C ATOM 2143 C ARG A 138 31.494 -0.495 -48.005 1.00 0.00 C ATOM 2144 O ARG A 138 32.614 -0.270 -48.466 1.00 0.00 O ATOM 2145 CB ARG A 138 30.738 0.576 -45.874 1.00 0.00 C ATOM 2146 CG ARG A 138 32.046 0.004 -45.354 1.00 0.00 C ATOM 2147 CD ARG A 138 32.395 0.566 -43.985 1.00 0.00 C ATOM 2148 NE ARG A 138 31.764 -0.189 -42.906 1.00 0.00 N ATOM 2149 CZ ARG A 138 31.605 0.282 -41.674 1.00 0.00 C ATOM 2150 NH1 ARG A 138 32.028 1.501 -41.367 1.00 0.00 N ATOM 2151 NH2 ARG A 138 31.021 -0.466 -40.747 1.00 0.00 N ATOM 0 H ARG A 138 28.582 0.656 -47.092 1.00 0.00 H new ATOM 0 HA ARG A 138 31.055 1.582 -47.747 1.00 0.00 H new ATOM 0 HB2 ARG A 138 30.608 1.583 -45.477 1.00 0.00 H new ATOM 0 HB3 ARG A 138 29.912 -0.025 -45.494 1.00 0.00 H new ATOM 0 HG2 ARG A 138 31.971 -1.082 -45.294 1.00 0.00 H new ATOM 0 HG3 ARG A 138 32.848 0.230 -46.057 1.00 0.00 H new ATOM 0 HD2 ARG A 138 33.477 0.552 -43.853 1.00 0.00 H new ATOM 0 HD3 ARG A 138 32.081 1.608 -43.930 1.00 0.00 H new ATOM 0 HE ARG A 138 31.427 -1.130 -43.109 1.00 0.00 H new ATOM 0 HH11 ARG A 138 32.477 2.079 -42.078 1.00 0.00 H new ATOM 0 HH12 ARG A 138 31.905 1.860 -40.420 1.00 0.00 H new ATOM 0 HH21 ARG A 138 30.694 -1.404 -40.980 1.00 0.00 H new ATOM 0 HH22 ARG A 138 30.899 -0.104 -39.801 1.00 0.00 H new ATOM 2165 N LYS A 139 30.945 -1.705 -47.998 1.00 0.00 N ATOM 2166 CA LYS A 139 31.640 -2.864 -48.545 1.00 0.00 C ATOM 2167 C LYS A 139 31.797 -2.740 -50.058 1.00 0.00 C ATOM 2168 O LYS A 139 32.828 -3.113 -50.618 1.00 0.00 O ATOM 2169 CB LYS A 139 30.881 -4.148 -48.203 1.00 0.00 C ATOM 2170 CG LYS A 139 31.457 -5.389 -48.864 1.00 0.00 C ATOM 2171 CD LYS A 139 30.892 -5.590 -50.260 1.00 0.00 C ATOM 2172 CE LYS A 139 30.949 -7.051 -50.679 1.00 0.00 C ATOM 2173 NZ LYS A 139 29.795 -7.826 -50.145 1.00 0.00 N ATOM 0 H LYS A 139 30.020 -1.908 -47.619 1.00 0.00 H new ATOM 0 HA LYS A 139 32.633 -2.906 -48.097 1.00 0.00 H new ATOM 0 HB2 LYS A 139 30.887 -4.287 -47.122 1.00 0.00 H new ATOM 0 HB3 LYS A 139 29.840 -4.036 -48.505 1.00 0.00 H new ATOM 0 HG2 LYS A 139 32.542 -5.303 -48.919 1.00 0.00 H new ATOM 0 HG3 LYS A 139 31.237 -6.264 -48.252 1.00 0.00 H new ATOM 0 HD2 LYS A 139 29.859 -5.242 -50.289 1.00 0.00 H new ATOM 0 HD3 LYS A 139 31.453 -4.984 -50.972 1.00 0.00 H new ATOM 0 HE2 LYS A 139 30.958 -7.117 -51.767 1.00 0.00 H new ATOM 0 HE3 LYS A 139 31.880 -7.494 -50.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 29.870 -8.817 -50.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 29.800 -7.785 -49.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 28.908 -7.419 -50.503 1.00 0.00 H new ATOM 2187 N LYS A 140 30.768 -2.215 -50.713 1.00 0.00 N ATOM 2188 CA LYS A 140 30.791 -2.039 -52.161 1.00 0.00 C ATOM 2189 C LYS A 140 31.853 -1.023 -52.568 1.00 0.00 C ATOM 2190 O LYS A 140 32.279 -0.985 -53.723 1.00 0.00 O ATOM 2191 CB LYS A 140 29.418 -1.587 -52.662 1.00 0.00 C ATOM 2192 CG LYS A 140 28.493 -2.737 -53.023 1.00 0.00 C ATOM 2193 CD LYS A 140 27.582 -3.104 -51.864 1.00 0.00 C ATOM 2194 CE LYS A 140 26.183 -3.458 -52.346 1.00 0.00 C ATOM 2195 NZ LYS A 140 25.190 -3.430 -51.236 1.00 0.00 N ATOM 0 H LYS A 140 29.907 -1.903 -50.264 1.00 0.00 H new ATOM 0 HA LYS A 140 31.038 -2.998 -52.615 1.00 0.00 H new ATOM 0 HB2 LYS A 140 28.943 -0.977 -51.894 1.00 0.00 H new ATOM 0 HB3 LYS A 140 29.551 -0.951 -53.537 1.00 0.00 H new ATOM 0 HG2 LYS A 140 27.890 -2.462 -53.888 1.00 0.00 H new ATOM 0 HG3 LYS A 140 29.086 -3.605 -53.310 1.00 0.00 H new ATOM 0 HD2 LYS A 140 28.005 -3.948 -51.320 1.00 0.00 H new ATOM 0 HD3 LYS A 140 27.527 -2.270 -51.165 1.00 0.00 H new ATOM 0 HE2 LYS A 140 25.879 -2.757 -53.123 1.00 0.00 H new ATOM 0 HE3 LYS A 140 26.195 -4.450 -52.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 24.239 -3.270 -51.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 25.209 -4.339 -50.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 25.428 -2.662 -50.576 1.00 0.00 H new ATOM 2209 N HIS A 141 32.278 -0.203 -51.613 1.00 0.00 N ATOM 2210 CA HIS A 141 33.293 0.813 -51.873 1.00 0.00 C ATOM 2211 C HIS A 141 34.695 0.224 -51.748 1.00 0.00 C ATOM 2212 O HIS A 141 35.690 0.914 -51.969 1.00 0.00 O ATOM 2213 CB HIS A 141 33.131 1.985 -50.906 1.00 0.00 C ATOM 2214 CG HIS A 141 34.356 2.839 -50.788 1.00 0.00 C ATOM 2215 ND1 HIS A 141 34.712 3.779 -51.732 1.00 0.00 N ATOM 2216 CD2 HIS A 141 35.310 2.891 -49.829 1.00 0.00 C ATOM 2217 CE1 HIS A 141 35.832 4.371 -51.359 1.00 0.00 C ATOM 2218 NE2 HIS A 141 36.216 3.851 -50.207 1.00 0.00 N ATOM 0 H HIS A 141 31.936 -0.221 -50.652 1.00 0.00 H new ATOM 0 HA HIS A 141 33.159 1.173 -52.893 1.00 0.00 H new ATOM 0 HB2 HIS A 141 32.297 2.604 -51.236 1.00 0.00 H new ATOM 0 HB3 HIS A 141 32.871 1.599 -49.920 1.00 0.00 H new ATOM 0 HD1 HIS A 141 34.192 3.985 -52.585 1.00 0.00 H new ATOM 0 HD2 HIS A 141 35.351 2.289 -48.933 1.00 0.00 H new ATOM 0 HE1 HIS A 141 36.347 5.149 -51.904 1.00 0.00 H new ATOM 2226 N MET A 142 34.765 -1.054 -51.390 1.00 0.00 N ATOM 2227 CA MET A 142 36.046 -1.734 -51.236 1.00 0.00 C ATOM 2228 C MET A 142 36.508 -2.330 -52.561 1.00 0.00 C ATOM 2229 O MET A 142 37.697 -2.586 -52.758 1.00 0.00 O ATOM 2230 CB MET A 142 35.938 -2.835 -50.178 1.00 0.00 C ATOM 2231 CG MET A 142 35.108 -2.437 -48.969 1.00 0.00 C ATOM 2232 SD MET A 142 36.097 -1.683 -47.664 1.00 0.00 S ATOM 2233 CE MET A 142 35.993 0.047 -48.117 1.00 0.00 C ATOM 0 H MET A 142 33.951 -1.639 -51.201 1.00 0.00 H new ATOM 0 HA MET A 142 36.783 -0.999 -50.912 1.00 0.00 H new ATOM 0 HB2 MET A 142 35.499 -3.723 -50.633 1.00 0.00 H new ATOM 0 HB3 MET A 142 36.940 -3.108 -49.847 1.00 0.00 H new ATOM 0 HG2 MET A 142 34.332 -1.738 -49.281 1.00 0.00 H new ATOM 0 HG3 MET A 142 34.603 -3.319 -48.574 1.00 0.00 H new ATOM 0 HE1 MET A 142 36.966 0.518 -47.980 1.00 0.00 H new ATOM 0 HE2 MET A 142 35.692 0.132 -49.161 1.00 0.00 H new ATOM 0 HE3 MET A 142 35.257 0.545 -47.486 1.00 0.00 H new ATOM 2243 N HIS A 143 35.562 -2.549 -53.469 1.00 0.00 N ATOM 2244 CA HIS A 143 35.873 -3.115 -54.777 1.00 0.00 C ATOM 2245 C HIS A 143 36.943 -2.289 -55.485 1.00 0.00 C ATOM 2246 O HIS A 143 37.608 -2.772 -56.402 1.00 0.00 O ATOM 2247 CB HIS A 143 34.612 -3.186 -55.638 1.00 0.00 C ATOM 2248 CG HIS A 143 34.164 -1.853 -56.154 1.00 0.00 C ATOM 2249 ND1 HIS A 143 35.021 -0.946 -56.742 1.00 0.00 N ATOM 2250 CD2 HIS A 143 32.940 -1.276 -56.170 1.00 0.00 C ATOM 2251 CE1 HIS A 143 34.344 0.131 -57.095 1.00 0.00 C ATOM 2252 NE2 HIS A 143 33.078 -0.043 -56.760 1.00 0.00 N ATOM 0 H HIS A 143 34.574 -2.343 -53.323 1.00 0.00 H new ATOM 0 HA HIS A 143 36.258 -4.124 -54.628 1.00 0.00 H new ATOM 0 HB2 HIS A 143 34.795 -3.850 -56.482 1.00 0.00 H new ATOM 0 HB3 HIS A 143 33.807 -3.629 -55.053 1.00 0.00 H new ATOM 0 HD2 HIS A 143 32.025 -1.705 -55.790 1.00 0.00 H new ATOM 0 HE1 HIS A 143 34.755 1.006 -57.576 1.00 0.00 H new ATOM 0 HE2 HIS A 143 32.326 0.628 -56.914 1.00 0.00 H new ATOM 2260 N VAL A 144 37.102 -1.042 -55.055 1.00 0.00 N ATOM 2261 CA VAL A 144 38.090 -0.149 -55.648 1.00 0.00 C ATOM 2262 C VAL A 144 39.356 -0.090 -54.801 1.00 0.00 C ATOM 2263 O VAL A 144 40.386 0.424 -55.238 1.00 0.00 O ATOM 2264 CB VAL A 144 37.530 1.277 -55.815 1.00 0.00 C ATOM 2265 CG1 VAL A 144 36.426 1.539 -54.802 1.00 0.00 C ATOM 2266 CG2 VAL A 144 38.643 2.305 -55.680 1.00 0.00 C ATOM 0 H VAL A 144 36.559 -0.627 -54.298 1.00 0.00 H new ATOM 0 HA VAL A 144 38.332 -0.553 -56.631 1.00 0.00 H new ATOM 0 HB VAL A 144 37.103 1.366 -56.814 1.00 0.00 H new ATOM 0 HG11 VAL A 144 36.043 2.551 -54.935 1.00 0.00 H new ATOM 0 HG12 VAL A 144 35.618 0.822 -54.951 1.00 0.00 H new ATOM 0 HG13 VAL A 144 36.825 1.432 -53.793 1.00 0.00 H new ATOM 0 HG21 VAL A 144 38.230 3.306 -55.801 1.00 0.00 H new ATOM 0 HG22 VAL A 144 39.101 2.218 -54.695 1.00 0.00 H new ATOM 0 HG23 VAL A 144 39.396 2.128 -56.448 1.00 0.00 H new ATOM 2276 N HIS A 145 39.273 -0.621 -53.585 1.00 0.00 N ATOM 2277 CA HIS A 145 40.413 -0.630 -52.675 1.00 0.00 C ATOM 2278 C HIS A 145 41.331 -1.814 -52.966 1.00 0.00 C ATOM 2279 O HIS A 145 42.420 -1.923 -52.402 1.00 0.00 O ATOM 2280 CB HIS A 145 39.934 -0.686 -51.224 1.00 0.00 C ATOM 2281 CG HIS A 145 39.683 0.663 -50.624 1.00 0.00 C ATOM 2282 ND1 HIS A 145 40.635 1.660 -50.589 1.00 0.00 N ATOM 2283 CD2 HIS A 145 38.579 1.178 -50.034 1.00 0.00 C ATOM 2284 CE1 HIS A 145 40.127 2.729 -50.002 1.00 0.00 C ATOM 2285 NE2 HIS A 145 38.880 2.463 -49.657 1.00 0.00 N ATOM 0 H HIS A 145 38.428 -1.050 -53.207 1.00 0.00 H new ATOM 0 HA HIS A 145 40.976 0.291 -52.828 1.00 0.00 H new ATOM 0 HB2 HIS A 145 39.017 -1.273 -51.175 1.00 0.00 H new ATOM 0 HB3 HIS A 145 40.679 -1.209 -50.624 1.00 0.00 H new ATOM 0 HD2 HIS A 145 37.636 0.672 -49.887 1.00 0.00 H new ATOM 0 HE1 HIS A 145 40.644 3.662 -49.833 1.00 0.00 H new ATOM 0 HE2 HIS A 145 38.244 3.108 -49.187 1.00 0.00 H new