USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 102 MET CE :methyl 149:sc= -0.121 (180deg=-1.21) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= -6.84! C(o=-8.3!,f=-9.6!) USER MOD Set 2.2: A 73 TYR OH : rot 121:sc= -0.0374 USER MOD Set 2.3: A 90 MET CE :methyl 175:sc= -1.48 (180deg=-1.45) USER MOD Set 3.1: A 18 CYS SG : rot 152:sc= -2.52 USER MOD Set 3.2: A 22 THR OG1 : rot -45:sc= 0.284 USER MOD Single : A 12 GLN : amide:sc= -1.04 K(o=-1,f=-4.7!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 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 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.55! C(o=-4.5!,f=-4.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.273 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 36 SER OG : rot -118:sc= -0.982 USER MOD Single : A 39 ASN : amide:sc= -0.66 K(o=-0.66,f=-8.6!) USER MOD Single : A 42 SER OG : rot 150:sc= -0.136 USER MOD Single : A 44 CYS SG : rot 105:sc= -2 USER MOD Single : A 48 HIS : no HD1:sc= -7.97! C(o=-8!,f=-6.7!) USER MOD Single : A 49 HIS : no HD1:sc= -2.83! X(o=-2.8!,f=-3) USER MOD Single : A 57 TYR OH : rot 165:sc= -0.0935 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -56:sc= 0.00283 USER MOD Single : A 61 ASN : amide:sc= -3.21! C(o=-3.2!,f=-2.6!) USER MOD Single : A 63 GLN : amide:sc= -12.8! C(o=-13!,f=-18!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.191 K(o=0.19,f=-3.1) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0654) USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= -0.172 (180deg=-0.739) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -131:sc= -0.944 (180deg=-3.01!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 104 TYR OH : rot 30:sc= -0.0432 USER MOD Single : A 107 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.47) USER MOD Single : A 111 HIS : no HD1:sc= -5.04! C(o=-5!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 11.517 1.193 -9.463 1.00 0.00 N ATOM 116 CA GLN A 12 10.751 0.335 -10.359 1.00 0.00 C ATOM 117 C GLN A 12 10.382 -0.976 -9.674 1.00 0.00 C ATOM 118 O GLN A 12 9.237 -1.423 -9.744 1.00 0.00 O ATOM 119 CB GLN A 12 11.549 0.051 -11.633 1.00 0.00 C ATOM 120 CG GLN A 12 10.806 -0.818 -12.635 1.00 0.00 C ATOM 121 CD GLN A 12 9.557 -0.150 -13.175 1.00 0.00 C ATOM 122 OE1 GLN A 12 9.191 0.945 -12.747 1.00 0.00 O ATOM 123 NE2 GLN A 12 8.895 -0.807 -14.120 1.00 0.00 N ATOM 0 HA GLN A 12 9.831 0.857 -10.623 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.809 0.997 -12.108 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.485 -0.438 -11.364 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.471 -1.060 -13.464 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.533 -1.760 -12.160 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.235 -1.712 -14.445 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.047 -0.406 -14.521 1.00 0.00 H new ATOM 132 N SER A 13 11.358 -1.588 -9.011 1.00 0.00 N ATOM 133 CA SER A 13 11.136 -2.850 -8.316 1.00 0.00 C ATOM 134 C SER A 13 9.864 -2.792 -7.476 1.00 0.00 C ATOM 135 O SER A 13 8.964 -3.617 -7.633 1.00 0.00 O ATOM 136 CB SER A 13 12.335 -3.184 -7.425 1.00 0.00 C ATOM 137 OG SER A 13 12.480 -4.585 -7.269 1.00 0.00 O ATOM 0 H SER A 13 12.310 -1.230 -8.941 1.00 0.00 H new ATOM 0 HA SER A 13 11.020 -3.633 -9.065 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.243 -2.768 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.207 -2.717 -6.448 1.00 0.00 H new ATOM 0 HG SER A 13 13.254 -4.772 -6.697 1.00 0.00 H new ATOM 143 N LEU A 14 9.798 -1.810 -6.583 1.00 0.00 N ATOM 144 CA LEU A 14 8.636 -1.642 -5.716 1.00 0.00 C ATOM 145 C LEU A 14 7.378 -1.378 -6.537 1.00 0.00 C ATOM 146 O LEU A 14 6.427 -2.159 -6.504 1.00 0.00 O ATOM 147 CB LEU A 14 8.870 -0.492 -4.735 1.00 0.00 C ATOM 148 CG LEU A 14 7.634 0.017 -3.991 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.084 -1.061 -3.071 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.967 1.275 -3.203 1.00 0.00 C ATOM 0 H LEU A 14 10.534 -1.119 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 14 8.494 -2.566 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.606 -0.813 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.309 0.342 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 14 6.867 0.265 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.205 -0.681 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.807 -1.935 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.845 -1.341 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.076 1.623 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.750 1.054 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.313 2.051 -3.886 1.00 0.00 H new ATOM 162 N LEU A 15 7.380 -0.273 -7.275 1.00 0.00 N ATOM 163 CA LEU A 15 6.240 0.094 -8.107 1.00 0.00 C ATOM 164 C LEU A 15 5.638 -1.136 -8.780 1.00 0.00 C ATOM 165 O LEU A 15 4.418 -1.278 -8.861 1.00 0.00 O ATOM 166 CB LEU A 15 6.663 1.113 -9.166 1.00 0.00 C ATOM 167 CG LEU A 15 5.529 1.848 -9.882 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.142 3.105 -9.119 1.00 0.00 C ATOM 169 CD2 LEU A 15 5.933 2.191 -11.309 1.00 0.00 C ATOM 0 H LEU A 15 8.159 0.384 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 15 5.482 0.541 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.307 1.854 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.266 0.600 -9.915 1.00 0.00 H new ATOM 0 HG LEU A 15 4.661 1.189 -9.920 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.334 3.615 -9.644 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.810 2.835 -8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.004 3.768 -9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.114 2.714 -11.803 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.815 2.831 -11.294 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.159 1.274 -11.853 1.00 0.00 H new ATOM 181 N VAL A 16 6.503 -2.024 -9.259 1.00 0.00 N ATOM 182 CA VAL A 16 6.058 -3.244 -9.921 1.00 0.00 C ATOM 183 C VAL A 16 5.361 -4.179 -8.940 1.00 0.00 C ATOM 184 O VAL A 16 4.233 -4.615 -9.176 1.00 0.00 O ATOM 185 CB VAL A 16 7.237 -3.990 -10.575 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.748 -5.246 -11.281 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.974 -3.077 -11.543 1.00 0.00 C ATOM 0 H VAL A 16 7.516 -1.921 -9.201 1.00 0.00 H new ATOM 0 HA VAL A 16 5.353 -2.944 -10.696 1.00 0.00 H new ATOM 0 HB VAL A 16 7.934 -4.290 -9.792 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.594 -5.760 -11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.269 -5.906 -10.558 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.030 -4.973 -12.054 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.803 -3.620 -11.996 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.289 -2.745 -12.323 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.358 -2.211 -11.005 1.00 0.00 H new ATOM 197 N TRP A 17 6.038 -4.484 -7.839 1.00 0.00 N ATOM 198 CA TRP A 17 5.482 -5.368 -6.820 1.00 0.00 C ATOM 199 C TRP A 17 3.974 -5.180 -6.700 1.00 0.00 C ATOM 200 O TRP A 17 3.211 -6.144 -6.776 1.00 0.00 O ATOM 201 CB TRP A 17 6.150 -5.106 -5.469 1.00 0.00 C ATOM 202 CG TRP A 17 5.796 -6.121 -4.425 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.278 -7.394 -4.322 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.881 -5.947 -3.337 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.719 -8.023 -3.236 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.860 -7.157 -2.614 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.081 -4.888 -2.901 1.00 0.00 C ATOM 208 CZ2 TRP A 17 4.068 -7.333 -1.483 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.295 -5.065 -1.778 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.294 -6.280 -1.079 1.00 0.00 C ATOM 0 H TRP A 17 6.972 -4.133 -7.629 1.00 0.00 H new ATOM 0 HA TRP A 17 5.678 -6.397 -7.121 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.232 -5.095 -5.603 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.862 -4.116 -5.115 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.994 -7.841 -4.996 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.913 -8.980 -2.941 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.077 -3.948 -3.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.065 -8.268 -0.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.671 -4.254 -1.433 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.670 -6.387 -0.204 1.00 0.00 H new ATOM 221 N CYS A 18 3.550 -3.935 -6.513 1.00 0.00 N ATOM 222 CA CYS A 18 2.131 -3.622 -6.382 1.00 0.00 C ATOM 223 C CYS A 18 1.387 -3.921 -7.679 1.00 0.00 C ATOM 224 O CYS A 18 0.512 -4.786 -7.720 1.00 0.00 O ATOM 225 CB CYS A 18 1.945 -2.153 -6.000 1.00 0.00 C ATOM 226 SG CYS A 18 0.254 -1.721 -5.528 1.00 0.00 S ATOM 0 H CYS A 18 4.168 -3.126 -6.449 1.00 0.00 H new ATOM 0 HA CYS A 18 1.716 -4.250 -5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.613 -1.917 -5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.247 -1.529 -6.841 1.00 0.00 H new ATOM 0 HG CYS A 18 0.278 -0.726 -4.692 1.00 0.00 H new ATOM 232 N LYS A 19 1.738 -3.198 -8.737 1.00 0.00 N ATOM 233 CA LYS A 19 1.104 -3.385 -10.037 1.00 0.00 C ATOM 234 C LYS A 19 0.941 -4.867 -10.355 1.00 0.00 C ATOM 235 O LYS A 19 0.055 -5.254 -11.117 1.00 0.00 O ATOM 236 CB LYS A 19 1.929 -2.705 -11.132 1.00 0.00 C ATOM 237 CG LYS A 19 2.105 -1.211 -10.922 1.00 0.00 C ATOM 238 CD LYS A 19 3.181 -0.643 -11.832 1.00 0.00 C ATOM 239 CE LYS A 19 2.620 -0.275 -13.197 1.00 0.00 C ATOM 240 NZ LYS A 19 3.608 0.477 -14.019 1.00 0.00 N ATOM 0 H LYS A 19 2.459 -2.476 -8.720 1.00 0.00 H new ATOM 0 HA LYS A 19 0.115 -2.929 -10.000 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.911 -3.175 -11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.448 -2.874 -12.095 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.160 -0.702 -11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.367 -1.017 -9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.622 0.240 -11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.981 -1.374 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.324 -1.182 -13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.721 0.327 -13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.187 0.709 -14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.871 1.355 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.456 -0.107 -14.163 1.00 0.00 H new ATOM 254 N GLU A 20 1.800 -5.693 -9.765 1.00 0.00 N ATOM 255 CA GLU A 20 1.749 -7.133 -9.986 1.00 0.00 C ATOM 256 C GLU A 20 0.555 -7.752 -9.266 1.00 0.00 C ATOM 257 O GLU A 20 -0.329 -8.336 -9.894 1.00 0.00 O ATOM 258 CB GLU A 20 3.044 -7.791 -9.507 1.00 0.00 C ATOM 259 CG GLU A 20 3.400 -9.059 -10.265 1.00 0.00 C ATOM 260 CD GLU A 20 3.687 -8.801 -11.732 1.00 0.00 C ATOM 261 OE1 GLU A 20 4.613 -8.016 -12.025 1.00 0.00 O ATOM 262 OE2 GLU A 20 2.985 -9.382 -12.585 1.00 0.00 O ATOM 0 H GLU A 20 2.539 -5.389 -9.131 1.00 0.00 H new ATOM 0 HA GLU A 20 1.636 -7.306 -11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.862 -7.077 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.952 -8.026 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.273 -9.521 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.580 -9.772 -10.179 1.00 0.00 H new ATOM 269 N VAL A 21 0.535 -7.621 -7.943 1.00 0.00 N ATOM 270 CA VAL A 21 -0.550 -8.167 -7.137 1.00 0.00 C ATOM 271 C VAL A 21 -1.863 -7.448 -7.424 1.00 0.00 C ATOM 272 O VAL A 21 -2.943 -7.960 -7.126 1.00 0.00 O ATOM 273 CB VAL A 21 -0.238 -8.062 -5.632 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.228 -8.372 -5.367 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.603 -6.681 -5.108 1.00 0.00 C ATOM 0 H VAL A 21 1.258 -7.141 -7.407 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.648 -9.218 -7.408 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.841 -8.798 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.429 -8.293 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.453 -9.384 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.854 -7.662 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.376 -6.624 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.027 -5.925 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.667 -6.503 -5.262 1.00 0.00 H new ATOM 285 N THR A 22 -1.764 -6.256 -8.005 1.00 0.00 N ATOM 286 CA THR A 22 -2.944 -5.466 -8.332 1.00 0.00 C ATOM 287 C THR A 22 -3.212 -5.474 -9.833 1.00 0.00 C ATOM 288 O THR A 22 -3.778 -4.526 -10.378 1.00 0.00 O ATOM 289 CB THR A 22 -2.793 -4.008 -7.857 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.658 -3.403 -8.486 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.635 -3.945 -6.345 1.00 0.00 C ATOM 0 H THR A 22 -0.879 -5.817 -8.258 1.00 0.00 H new ATOM 0 HA THR A 22 -3.786 -5.925 -7.813 1.00 0.00 H new ATOM 0 HB THR A 22 -3.695 -3.463 -8.135 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.899 -4.022 -8.456 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.530 -2.906 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.514 -4.380 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.748 -4.504 -6.048 1.00 0.00 H new ATOM 387 N VAL A 28 -6.314 0.401 -10.285 1.00 0.00 N ATOM 388 CA VAL A 28 -5.030 0.295 -9.603 1.00 0.00 C ATOM 389 C VAL A 28 -3.876 0.320 -10.599 1.00 0.00 C ATOM 390 O VAL A 28 -3.524 -0.703 -11.186 1.00 0.00 O ATOM 391 CB VAL A 28 -4.943 -0.995 -8.766 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.747 -0.945 -7.829 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.232 -1.212 -7.988 1.00 0.00 C ATOM 0 HA VAL A 28 -4.952 1.156 -8.939 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.807 -1.838 -9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.703 -1.865 -7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.832 -0.840 -8.412 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.848 -0.094 -7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.154 -2.128 -7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.401 -0.367 -7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.067 -1.297 -8.684 1.00 0.00 H new ATOM 403 N LYS A 29 -3.288 1.497 -10.784 1.00 0.00 N ATOM 404 CA LYS A 29 -2.171 1.658 -11.708 1.00 0.00 C ATOM 405 C LYS A 29 -0.914 2.105 -10.968 1.00 0.00 C ATOM 406 O LYS A 29 0.201 1.938 -11.464 1.00 0.00 O ATOM 407 CB LYS A 29 -2.524 2.674 -12.796 1.00 0.00 C ATOM 408 CG LYS A 29 -1.624 2.594 -14.017 1.00 0.00 C ATOM 409 CD LYS A 29 -2.108 3.514 -15.127 1.00 0.00 C ATOM 410 CE LYS A 29 -1.838 4.974 -14.797 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.427 5.889 -15.814 1.00 0.00 N ATOM 0 H LYS A 29 -3.566 2.354 -10.306 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.974 0.692 -12.173 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.557 2.518 -13.106 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.465 3.678 -12.377 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.605 2.863 -13.738 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.594 1.567 -14.381 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.610 3.253 -16.061 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.177 3.367 -15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.251 5.207 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.762 5.140 -14.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.222 6.875 -15.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.014 5.684 -16.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.457 5.748 -15.853 1.00 0.00 H new ATOM 425 N ILE A 30 -1.101 2.672 -9.781 1.00 0.00 N ATOM 426 CA ILE A 30 0.018 3.140 -8.974 1.00 0.00 C ATOM 427 C ILE A 30 0.955 4.023 -9.791 1.00 0.00 C ATOM 428 O ILE A 30 2.161 3.778 -9.854 1.00 0.00 O ATOM 429 CB ILE A 30 0.821 1.963 -8.388 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.119 0.960 -7.717 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.858 2.470 -7.397 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.609 -0.126 -8.648 1.00 0.00 C ATOM 0 H ILE A 30 -2.017 2.818 -9.357 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.406 3.723 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 30 1.341 1.457 -9.201 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.396 0.499 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.978 1.495 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.417 1.627 -6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.543 3.150 -7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.358 2.997 -6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.270 -0.800 -8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.153 0.325 -9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.243 -0.686 -9.034 1.00 0.00 H new ATOM 444 N THR A 31 0.394 5.052 -10.417 1.00 0.00 N ATOM 445 CA THR A 31 1.178 5.973 -11.230 1.00 0.00 C ATOM 446 C THR A 31 2.200 6.722 -10.383 1.00 0.00 C ATOM 447 O THR A 31 3.241 7.147 -10.881 1.00 0.00 O ATOM 448 CB THR A 31 0.277 6.994 -11.950 1.00 0.00 C ATOM 449 OG1 THR A 31 1.081 7.935 -12.670 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.607 7.731 -10.956 1.00 0.00 C ATOM 0 H THR A 31 -0.602 5.269 -10.377 1.00 0.00 H new ATOM 0 HA THR A 31 1.699 5.371 -11.975 1.00 0.00 H new ATOM 0 HB THR A 31 -0.361 6.453 -12.648 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.501 8.580 -13.126 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.234 8.447 -11.488 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.239 7.015 -10.430 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.018 8.260 -10.236 1.00 0.00 H new ATOM 458 N ASN A 32 1.894 6.880 -9.099 1.00 0.00 N ATOM 459 CA ASN A 32 2.787 7.579 -8.182 1.00 0.00 C ATOM 460 C ASN A 32 2.670 7.011 -6.770 1.00 0.00 C ATOM 461 O ASN A 32 1.866 6.114 -6.515 1.00 0.00 O ATOM 462 CB ASN A 32 2.470 9.075 -8.169 1.00 0.00 C ATOM 463 CG ASN A 32 2.181 9.617 -9.556 1.00 0.00 C ATOM 464 OD1 ASN A 32 3.041 9.589 -10.437 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.966 10.114 -9.755 1.00 0.00 N ATOM 0 H ASN A 32 1.036 6.534 -8.671 1.00 0.00 H new ATOM 0 HA ASN A 32 3.810 7.434 -8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.610 9.256 -7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.311 9.618 -7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.713 10.493 -10.667 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.285 10.116 -8.995 1.00 0.00 H new ATOM 472 N PHE A 33 3.478 7.539 -5.857 1.00 0.00 N ATOM 473 CA PHE A 33 3.466 7.085 -4.471 1.00 0.00 C ATOM 474 C PHE A 33 2.997 8.198 -3.539 1.00 0.00 C ATOM 475 O PHE A 33 3.462 8.311 -2.404 1.00 0.00 O ATOM 476 CB PHE A 33 4.860 6.610 -4.056 1.00 0.00 C ATOM 477 CG PHE A 33 5.246 5.288 -4.656 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.602 4.123 -4.272 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.254 5.211 -5.604 1.00 0.00 C ATOM 480 CE1 PHE A 33 4.956 2.906 -4.822 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.612 3.996 -6.158 1.00 0.00 C ATOM 482 CZ PHE A 33 5.961 2.842 -5.767 1.00 0.00 C ATOM 0 H PHE A 33 4.149 8.282 -6.052 1.00 0.00 H new ATOM 0 HA PHE A 33 2.768 6.252 -4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.593 7.361 -4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.900 6.533 -2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.814 4.167 -3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.766 6.110 -5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.447 2.005 -4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.400 3.949 -6.896 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.237 1.892 -6.199 1.00 0.00 H new ATOM 492 N THR A 34 2.071 9.019 -4.025 1.00 0.00 N ATOM 493 CA THR A 34 1.539 10.124 -3.237 1.00 0.00 C ATOM 494 C THR A 34 0.015 10.093 -3.206 1.00 0.00 C ATOM 495 O THR A 34 -0.589 9.771 -2.182 1.00 0.00 O ATOM 496 CB THR A 34 2.002 11.484 -3.793 1.00 0.00 C ATOM 497 OG1 THR A 34 1.741 11.553 -5.199 1.00 0.00 O ATOM 498 CG2 THR A 34 3.487 11.695 -3.537 1.00 0.00 C ATOM 0 H THR A 34 1.674 8.939 -4.961 1.00 0.00 H new ATOM 0 HA THR A 34 1.923 10.004 -2.224 1.00 0.00 H new ATOM 0 HB THR A 34 1.445 12.270 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.037 12.421 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.792 12.662 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.678 11.671 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.056 10.904 -4.025 1.00 0.00 H new ATOM 506 N THR A 35 -0.602 10.428 -4.334 1.00 0.00 N ATOM 507 CA THR A 35 -2.056 10.439 -4.436 1.00 0.00 C ATOM 508 C THR A 35 -2.605 9.029 -4.618 1.00 0.00 C ATOM 509 O THR A 35 -3.480 8.591 -3.871 1.00 0.00 O ATOM 510 CB THR A 35 -2.531 11.319 -5.608 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.974 10.840 -6.837 1.00 0.00 O ATOM 512 CG2 THR A 35 -2.128 12.770 -5.393 1.00 0.00 C ATOM 0 H THR A 35 -0.117 10.696 -5.191 1.00 0.00 H new ATOM 0 HA THR A 35 -2.435 10.855 -3.503 1.00 0.00 H new ATOM 0 HB THR A 35 -3.619 11.265 -5.657 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.282 11.403 -7.577 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.474 13.372 -6.233 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.578 13.140 -4.472 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.043 12.839 -5.320 1.00 0.00 H new ATOM 520 N SER A 36 -2.086 8.322 -5.617 1.00 0.00 N ATOM 521 CA SER A 36 -2.528 6.961 -5.900 1.00 0.00 C ATOM 522 C SER A 36 -2.838 6.211 -4.608 1.00 0.00 C ATOM 523 O SER A 36 -3.754 5.390 -4.559 1.00 0.00 O ATOM 524 CB SER A 36 -1.457 6.210 -6.694 1.00 0.00 C ATOM 525 OG SER A 36 -1.730 4.819 -6.729 1.00 0.00 O ATOM 0 H SER A 36 -1.360 8.669 -6.244 1.00 0.00 H new ATOM 0 HA SER A 36 -3.440 7.017 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.412 6.601 -7.711 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.479 6.381 -6.244 1.00 0.00 H new ATOM 0 HG SER A 36 -1.000 4.331 -6.293 1.00 0.00 H new ATOM 531 N TRP A 37 -2.070 6.500 -3.564 1.00 0.00 N ATOM 532 CA TRP A 37 -2.262 5.853 -2.271 1.00 0.00 C ATOM 533 C TRP A 37 -3.059 6.748 -1.328 1.00 0.00 C ATOM 534 O TRP A 37 -3.775 6.261 -0.453 1.00 0.00 O ATOM 535 CB TRP A 37 -0.910 5.508 -1.644 1.00 0.00 C ATOM 536 CG TRP A 37 -0.003 4.753 -2.568 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.792 5.278 -3.547 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.201 3.336 -2.601 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.477 4.273 -4.185 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.133 3.072 -3.623 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.312 2.265 -1.864 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.560 1.782 -3.926 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.112 0.985 -2.166 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.041 0.752 -3.189 1.00 0.00 C ATOM 0 H TRP A 37 -1.308 7.178 -3.587 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.825 4.934 -2.433 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.416 6.429 -1.333 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.075 4.916 -0.744 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.870 6.329 -3.784 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.136 4.400 -4.953 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.027 2.435 -1.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.275 1.600 -4.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.279 0.150 -1.604 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.354 -0.260 -3.400 1.00 0.00 H new ATOM 555 N ARG A 38 -2.931 8.058 -1.513 1.00 0.00 N ATOM 556 CA ARG A 38 -3.640 9.020 -0.678 1.00 0.00 C ATOM 557 C ARG A 38 -5.021 8.495 -0.296 1.00 0.00 C ATOM 558 O ARG A 38 -5.436 8.593 0.858 1.00 0.00 O ATOM 559 CB ARG A 38 -3.774 10.358 -1.406 1.00 0.00 C ATOM 560 CG ARG A 38 -4.831 11.273 -0.809 1.00 0.00 C ATOM 561 CD ARG A 38 -4.476 12.739 -1.009 1.00 0.00 C ATOM 562 NE ARG A 38 -5.366 13.624 -0.263 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.543 14.039 -0.719 1.00 0.00 C ATOM 564 NH1 ARG A 38 -6.969 13.650 -1.913 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.296 14.844 0.020 1.00 0.00 N ATOM 0 H ARG A 38 -2.343 8.477 -2.233 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.062 9.167 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.811 10.869 -1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.017 10.170 -2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.796 11.065 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.935 11.065 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.447 12.909 -0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.528 12.983 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.068 13.941 0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.393 13.031 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.873 13.970 -2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.971 15.145 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.199 15.162 -0.331 1.00 0.00 H new ATOM 579 N ASN A 39 -5.728 7.939 -1.274 1.00 0.00 N ATOM 580 CA ASN A 39 -7.063 7.400 -1.041 1.00 0.00 C ATOM 581 C ASN A 39 -6.997 6.128 -0.200 1.00 0.00 C ATOM 582 O ASN A 39 -7.742 5.971 0.766 1.00 0.00 O ATOM 583 CB ASN A 39 -7.758 7.109 -2.373 1.00 0.00 C ATOM 584 CG ASN A 39 -6.793 6.612 -3.432 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.680 6.186 -3.123 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.216 6.666 -4.689 1.00 0.00 N ATOM 0 H ASN A 39 -5.399 7.850 -2.235 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.639 8.147 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.538 6.364 -2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.249 8.015 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.610 6.347 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.147 7.027 -4.899 1.00 0.00 H new ATOM 593 N GLY A 40 -6.098 5.223 -0.576 1.00 0.00 N ATOM 594 CA GLY A 40 -5.950 3.977 0.154 1.00 0.00 C ATOM 595 C GLY A 40 -6.506 2.790 -0.608 1.00 0.00 C ATOM 596 O GLY A 40 -7.179 1.934 -0.032 1.00 0.00 O ATOM 0 H GLY A 40 -5.470 5.330 -1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.894 3.807 0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.459 4.059 1.114 1.00 0.00 H new ATOM 600 N LEU A 41 -6.226 2.738 -1.905 1.00 0.00 N ATOM 601 CA LEU A 41 -6.704 1.647 -2.748 1.00 0.00 C ATOM 602 C LEU A 41 -5.630 0.577 -2.914 1.00 0.00 C ATOM 603 O LEU A 41 -5.850 -0.592 -2.597 1.00 0.00 O ATOM 604 CB LEU A 41 -7.124 2.182 -4.118 1.00 0.00 C ATOM 605 CG LEU A 41 -8.398 3.027 -4.147 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.685 3.512 -5.559 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.577 2.233 -3.604 1.00 0.00 C ATOM 0 H LEU A 41 -5.670 3.438 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.568 1.195 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.306 2.781 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.258 1.335 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.248 3.898 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.595 4.112 -5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.851 4.118 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.815 2.654 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.475 2.850 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.729 1.343 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.373 1.936 -2.575 1.00 0.00 H new ATOM 619 N SER A 42 -4.467 0.985 -3.412 1.00 0.00 N ATOM 620 CA SER A 42 -3.359 0.061 -3.623 1.00 0.00 C ATOM 621 C SER A 42 -2.943 -0.596 -2.310 1.00 0.00 C ATOM 622 O SER A 42 -2.507 -1.747 -2.289 1.00 0.00 O ATOM 623 CB SER A 42 -2.166 0.794 -4.240 1.00 0.00 C ATOM 624 OG SER A 42 -2.542 1.471 -5.427 1.00 0.00 O ATOM 0 H SER A 42 -4.268 1.950 -3.677 1.00 0.00 H new ATOM 0 HA SER A 42 -3.692 -0.717 -4.310 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.763 1.508 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.371 0.081 -4.460 1.00 0.00 H new ATOM 0 HG SER A 42 -1.983 2.268 -5.540 1.00 0.00 H new ATOM 630 N PHE A 43 -3.080 0.146 -1.215 1.00 0.00 N ATOM 631 CA PHE A 43 -2.718 -0.363 0.103 1.00 0.00 C ATOM 632 C PHE A 43 -3.623 -1.523 0.506 1.00 0.00 C ATOM 633 O PHE A 43 -3.154 -2.544 1.009 1.00 0.00 O ATOM 634 CB PHE A 43 -2.805 0.754 1.145 1.00 0.00 C ATOM 635 CG PHE A 43 -1.540 1.552 1.277 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.322 0.918 1.469 1.00 0.00 C ATOM 637 CD2 PHE A 43 -1.567 2.935 1.208 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.843 1.650 1.591 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.404 3.673 1.329 1.00 0.00 C ATOM 640 CZ PHE A 43 0.803 3.029 1.520 1.00 0.00 C ATOM 0 H PHE A 43 -3.439 1.101 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.692 -0.727 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.622 1.425 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.053 0.318 2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.284 -0.160 1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.508 3.443 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.785 1.144 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.439 4.751 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.713 3.602 1.614 1.00 0.00 H new ATOM 650 N CYS A 44 -4.922 -1.356 0.282 1.00 0.00 N ATOM 651 CA CYS A 44 -5.895 -2.388 0.624 1.00 0.00 C ATOM 652 C CYS A 44 -5.888 -3.506 -0.414 1.00 0.00 C ATOM 653 O CYS A 44 -6.099 -4.673 -0.086 1.00 0.00 O ATOM 654 CB CYS A 44 -7.295 -1.783 0.730 1.00 0.00 C ATOM 655 SG CYS A 44 -7.561 -0.797 2.222 1.00 0.00 S ATOM 0 H CYS A 44 -5.326 -0.517 -0.134 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.616 -2.811 1.589 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.476 -1.157 -0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.030 -2.587 0.703 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.535 0.467 1.917 1.00 0.00 H new ATOM 661 N ALA A 45 -5.646 -3.140 -1.669 1.00 0.00 N ATOM 662 CA ALA A 45 -5.612 -4.112 -2.755 1.00 0.00 C ATOM 663 C ALA A 45 -4.560 -5.185 -2.499 1.00 0.00 C ATOM 664 O ALA A 45 -4.856 -6.379 -2.537 1.00 0.00 O ATOM 665 CB ALA A 45 -5.345 -3.413 -4.080 1.00 0.00 C ATOM 0 H ALA A 45 -5.471 -2.178 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.585 -4.600 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.322 -4.150 -4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.136 -2.689 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.385 -2.898 -4.033 1.00 0.00 H new ATOM 671 N ILE A 46 -3.331 -4.751 -2.239 1.00 0.00 N ATOM 672 CA ILE A 46 -2.235 -5.676 -1.976 1.00 0.00 C ATOM 673 C ILE A 46 -2.629 -6.712 -0.929 1.00 0.00 C ATOM 674 O ILE A 46 -2.643 -7.913 -1.202 1.00 0.00 O ATOM 675 CB ILE A 46 -0.974 -4.932 -1.497 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.441 -4.022 -2.605 1.00 0.00 C ATOM 677 CG2 ILE A 46 0.093 -5.925 -1.061 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.410 -2.881 -2.092 1.00 0.00 C ATOM 0 H ILE A 46 -3.069 -3.766 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.015 -6.180 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.239 -4.313 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.147 -4.618 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.282 -3.614 -3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.978 -5.384 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.291 -6.536 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.357 -6.567 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.754 -2.277 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.181 -2.261 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.271 -3.281 -1.557 1.00 0.00 H new ATOM 690 N LEU A 47 -2.950 -6.240 0.271 1.00 0.00 N ATOM 691 CA LEU A 47 -3.347 -7.125 1.360 1.00 0.00 C ATOM 692 C LEU A 47 -4.483 -8.046 0.927 1.00 0.00 C ATOM 693 O LEU A 47 -4.581 -9.186 1.383 1.00 0.00 O ATOM 694 CB LEU A 47 -3.775 -6.307 2.579 1.00 0.00 C ATOM 695 CG LEU A 47 -4.120 -7.105 3.836 1.00 0.00 C ATOM 696 CD1 LEU A 47 -2.864 -7.704 4.450 1.00 0.00 C ATOM 697 CD2 LEU A 47 -4.842 -6.224 4.846 1.00 0.00 C ATOM 0 H LEU A 47 -2.943 -5.249 0.514 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.487 -7.740 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.973 -5.611 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.643 -5.709 2.303 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.786 -7.921 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.130 -8.268 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.388 -8.369 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.173 -6.905 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.080 -6.809 5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.201 -5.387 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.763 -5.844 4.404 1.00 0.00 H new ATOM 709 N HIS A 48 -5.340 -7.545 0.042 1.00 0.00 N ATOM 710 CA HIS A 48 -6.468 -8.323 -0.455 1.00 0.00 C ATOM 711 C HIS A 48 -5.991 -9.459 -1.355 1.00 0.00 C ATOM 712 O HIS A 48 -6.528 -10.567 -1.312 1.00 0.00 O ATOM 713 CB HIS A 48 -7.437 -7.423 -1.222 1.00 0.00 C ATOM 714 CG HIS A 48 -8.705 -8.113 -1.623 1.00 0.00 C ATOM 715 ND1 HIS A 48 -8.760 -9.069 -2.615 1.00 0.00 N ATOM 716 CD2 HIS A 48 -9.970 -7.981 -1.159 1.00 0.00 C ATOM 717 CE1 HIS A 48 -10.004 -9.494 -2.745 1.00 0.00 C ATOM 718 NE2 HIS A 48 -10.758 -8.850 -1.872 1.00 0.00 N ATOM 0 H HIS A 48 -5.274 -6.604 -0.345 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.985 -8.755 0.402 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.683 -6.559 -0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.940 -7.046 -2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.298 -7.316 -0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.346 -10.241 -3.446 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.762 -8.978 -1.748 1.00 0.00 H new ATOM 727 N HIS A 49 -4.978 -9.178 -2.169 1.00 0.00 N ATOM 728 CA HIS A 49 -4.428 -10.176 -3.079 1.00 0.00 C ATOM 729 C HIS A 49 -4.191 -11.498 -2.355 1.00 0.00 C ATOM 730 O HIS A 49 -4.465 -12.571 -2.895 1.00 0.00 O ATOM 731 CB HIS A 49 -3.120 -9.674 -3.690 1.00 0.00 C ATOM 732 CG HIS A 49 -2.721 -10.405 -4.935 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.561 -10.562 -6.017 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.563 -11.022 -5.267 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.937 -11.245 -6.960 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.723 -11.536 -6.530 1.00 0.00 N ATOM 0 H HIS A 49 -4.522 -8.267 -2.217 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.152 -10.343 -3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.219 -8.613 -3.918 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.324 -9.769 -2.952 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.678 -11.096 -4.653 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.350 -11.519 -7.920 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.019 -12.058 -7.051 1.00 0.00 H new ATOM 745 N PHE A 50 -3.680 -11.415 -1.132 1.00 0.00 N ATOM 746 CA PHE A 50 -3.404 -12.605 -0.335 1.00 0.00 C ATOM 747 C PHE A 50 -4.669 -13.098 0.362 1.00 0.00 C ATOM 748 O PHE A 50 -4.951 -14.296 0.385 1.00 0.00 O ATOM 749 CB PHE A 50 -2.319 -12.310 0.702 1.00 0.00 C ATOM 750 CG PHE A 50 -1.124 -11.600 0.134 1.00 0.00 C ATOM 751 CD1 PHE A 50 -1.090 -10.216 0.068 1.00 0.00 C ATOM 752 CD2 PHE A 50 -0.034 -12.316 -0.333 1.00 0.00 C ATOM 753 CE1 PHE A 50 0.009 -9.561 -0.455 1.00 0.00 C ATOM 754 CE2 PHE A 50 1.068 -11.666 -0.857 1.00 0.00 C ATOM 755 CZ PHE A 50 1.089 -10.286 -0.917 1.00 0.00 C ATOM 0 H PHE A 50 -3.448 -10.536 -0.670 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.051 -13.388 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.746 -11.703 1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.994 -13.248 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.931 -9.643 0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.045 -13.395 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.023 -8.482 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.911 -12.236 -1.219 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.949 -9.775 -1.325 1.00 0.00 H new ATOM 765 N ARG A 51 -5.427 -12.165 0.929 1.00 0.00 N ATOM 766 CA ARG A 51 -6.661 -12.503 1.628 1.00 0.00 C ATOM 767 C ARG A 51 -7.779 -11.533 1.259 1.00 0.00 C ATOM 768 O ARG A 51 -7.812 -10.387 1.708 1.00 0.00 O ATOM 769 CB ARG A 51 -6.435 -12.488 3.141 1.00 0.00 C ATOM 770 CG ARG A 51 -7.388 -13.390 3.908 1.00 0.00 C ATOM 771 CD ARG A 51 -7.034 -14.858 3.726 1.00 0.00 C ATOM 772 NE ARG A 51 -7.622 -15.696 4.767 1.00 0.00 N ATOM 773 CZ ARG A 51 -7.574 -17.024 4.756 1.00 0.00 C ATOM 774 NH1 ARG A 51 -6.968 -17.660 3.763 1.00 0.00 N ATOM 775 NH2 ARG A 51 -8.134 -17.717 5.739 1.00 0.00 N ATOM 0 H ARG A 51 -5.208 -11.169 0.918 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.959 -13.506 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.410 -12.795 3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.542 -11.466 3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.358 -13.136 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.409 -13.216 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.381 -15.196 2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.950 -14.974 3.737 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.095 -15.237 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.537 -17.130 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.932 -18.679 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.602 -17.231 6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.097 -18.736 5.730 1.00 0.00 H new ATOM 789 N PRO A 52 -8.716 -12.000 0.421 1.00 0.00 N ATOM 790 CA PRO A 52 -9.852 -11.189 -0.026 1.00 0.00 C ATOM 791 C PRO A 52 -10.850 -10.920 1.095 1.00 0.00 C ATOM 792 O PRO A 52 -11.832 -10.202 0.906 1.00 0.00 O ATOM 793 CB PRO A 52 -10.494 -12.050 -1.117 1.00 0.00 C ATOM 794 CG PRO A 52 -10.105 -13.447 -0.776 1.00 0.00 C ATOM 795 CD PRO A 52 -8.739 -13.355 -0.154 1.00 0.00 C ATOM 0 HA PRO A 52 -9.538 -10.203 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.578 -11.932 -1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.133 -11.769 -2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.820 -13.894 -0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.087 -14.076 -1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.593 -14.118 0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.951 -13.491 -0.894 1.00 0.00 H new ATOM 803 N ASP A 53 -10.591 -11.499 2.262 1.00 0.00 N ATOM 804 CA ASP A 53 -11.466 -11.320 3.415 1.00 0.00 C ATOM 805 C ASP A 53 -10.883 -10.296 4.385 1.00 0.00 C ATOM 806 O ASP A 53 -11.610 -9.481 4.954 1.00 0.00 O ATOM 807 CB ASP A 53 -11.681 -12.654 4.131 1.00 0.00 C ATOM 808 CG ASP A 53 -12.851 -12.612 5.094 1.00 0.00 C ATOM 809 OD1 ASP A 53 -13.964 -12.251 4.659 1.00 0.00 O ATOM 810 OD2 ASP A 53 -12.653 -12.940 6.283 1.00 0.00 O ATOM 0 H ASP A 53 -9.782 -12.096 2.435 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.427 -10.950 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.851 -13.437 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.775 -12.921 4.676 1.00 0.00 H new ATOM 815 N LEU A 54 -9.569 -10.346 4.570 1.00 0.00 N ATOM 816 CA LEU A 54 -8.888 -9.423 5.473 1.00 0.00 C ATOM 817 C LEU A 54 -9.438 -8.008 5.322 1.00 0.00 C ATOM 818 O LEU A 54 -9.627 -7.297 6.309 1.00 0.00 O ATOM 819 CB LEU A 54 -7.383 -9.429 5.200 1.00 0.00 C ATOM 820 CG LEU A 54 -6.562 -10.448 5.991 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.160 -10.567 5.414 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.504 -10.060 7.462 1.00 0.00 C ATOM 0 H LEU A 54 -8.953 -11.015 4.108 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.067 -9.755 6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.227 -9.613 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.992 -8.434 5.412 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.050 -11.420 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.590 -11.297 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.220 -10.892 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.663 -9.598 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.916 -10.796 8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.040 -9.079 7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.514 -10.027 7.870 1.00 0.00 H new ATOM 834 N ILE A 55 -9.694 -7.608 4.081 1.00 0.00 N ATOM 835 CA ILE A 55 -10.226 -6.280 3.802 1.00 0.00 C ATOM 836 C ILE A 55 -11.545 -6.364 3.041 1.00 0.00 C ATOM 837 O ILE A 55 -11.952 -7.440 2.601 1.00 0.00 O ATOM 838 CB ILE A 55 -9.229 -5.435 2.987 1.00 0.00 C ATOM 839 CG1 ILE A 55 -7.794 -5.877 3.278 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.408 -3.957 3.300 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.294 -6.960 2.348 1.00 0.00 C ATOM 0 H ILE A 55 -9.542 -8.184 3.253 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.396 -5.799 4.765 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.428 -5.589 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.134 -5.013 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.734 -6.236 4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.696 -3.373 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.423 -3.652 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.233 -3.786 4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.270 -7.223 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.930 -7.840 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.321 -6.598 1.320 1.00 0.00 H new ATOM 853 N ASP A 56 -12.207 -5.223 2.888 1.00 0.00 N ATOM 854 CA ASP A 56 -13.479 -5.166 2.177 1.00 0.00 C ATOM 855 C ASP A 56 -13.298 -4.567 0.786 1.00 0.00 C ATOM 856 O ASP A 56 -14.242 -4.035 0.201 1.00 0.00 O ATOM 857 CB ASP A 56 -14.496 -4.345 2.972 1.00 0.00 C ATOM 858 CG ASP A 56 -15.921 -4.805 2.738 1.00 0.00 C ATOM 859 OD1 ASP A 56 -16.260 -5.125 1.580 1.00 0.00 O ATOM 860 OD2 ASP A 56 -16.698 -4.847 3.715 1.00 0.00 O ATOM 0 H ASP A 56 -11.884 -4.324 3.247 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.852 -6.184 2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.264 -4.416 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.406 -3.295 2.695 1.00 0.00 H new ATOM 865 N TYR A 57 -12.080 -4.656 0.263 1.00 0.00 N ATOM 866 CA TYR A 57 -11.775 -4.120 -1.058 1.00 0.00 C ATOM 867 C TYR A 57 -12.798 -4.591 -2.087 1.00 0.00 C ATOM 868 O TYR A 57 -12.988 -3.958 -3.126 1.00 0.00 O ATOM 869 CB TYR A 57 -10.369 -4.541 -1.490 1.00 0.00 C ATOM 870 CG TYR A 57 -9.864 -3.804 -2.709 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.397 -4.054 -3.968 1.00 0.00 C ATOM 872 CD2 TYR A 57 -8.853 -2.856 -2.602 1.00 0.00 C ATOM 873 CE1 TYR A 57 -9.937 -3.383 -5.084 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.389 -2.179 -3.713 1.00 0.00 C ATOM 875 CZ TYR A 57 -8.933 -2.446 -4.952 1.00 0.00 C ATOM 876 OH TYR A 57 -8.474 -1.775 -6.062 1.00 0.00 O ATOM 0 H TYR A 57 -11.288 -5.094 0.734 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.820 -3.032 -1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.679 -4.374 -0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.367 -5.611 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.184 -4.785 -4.075 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.423 -2.645 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.361 -3.591 -6.055 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.604 -1.444 -3.612 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.952 -0.995 -5.780 1.00 0.00 H new ATOM 886 N LYS A 58 -13.455 -5.706 -1.790 1.00 0.00 N ATOM 887 CA LYS A 58 -14.461 -6.264 -2.687 1.00 0.00 C ATOM 888 C LYS A 58 -15.577 -5.256 -2.946 1.00 0.00 C ATOM 889 O LYS A 58 -16.161 -5.227 -4.029 1.00 0.00 O ATOM 890 CB LYS A 58 -15.046 -7.548 -2.095 1.00 0.00 C ATOM 891 CG LYS A 58 -15.912 -7.314 -0.869 1.00 0.00 C ATOM 892 CD LYS A 58 -16.118 -8.595 -0.079 1.00 0.00 C ATOM 893 CE LYS A 58 -14.878 -8.963 0.721 1.00 0.00 C ATOM 894 NZ LYS A 58 -15.220 -9.715 1.960 1.00 0.00 N ATOM 0 H LYS A 58 -13.309 -6.242 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.977 -6.497 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.640 -8.052 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.230 -8.220 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.446 -6.563 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.879 -6.915 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.965 -8.475 0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.367 -9.408 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.212 -9.565 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.334 -8.056 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.348 -9.947 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.834 -9.131 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.717 -10.593 1.707 1.00 0.00 H new ATOM 908 N SER A 59 -15.868 -4.432 -1.945 1.00 0.00 N ATOM 909 CA SER A 59 -16.916 -3.424 -2.064 1.00 0.00 C ATOM 910 C SER A 59 -16.399 -2.051 -1.646 1.00 0.00 C ATOM 911 O SER A 59 -17.130 -1.251 -1.062 1.00 0.00 O ATOM 912 CB SER A 59 -18.123 -3.810 -1.206 1.00 0.00 C ATOM 913 OG SER A 59 -19.308 -3.203 -1.692 1.00 0.00 O ATOM 0 H SER A 59 -15.393 -4.442 -1.042 1.00 0.00 H new ATOM 0 HA SER A 59 -17.222 -3.375 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.240 -4.894 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.952 -3.506 -0.173 1.00 0.00 H new ATOM 0 HG SER A 59 -19.186 -2.231 -1.729 1.00 0.00 H new ATOM 919 N LEU A 60 -15.133 -1.785 -1.951 1.00 0.00 N ATOM 920 CA LEU A 60 -14.516 -0.508 -1.608 1.00 0.00 C ATOM 921 C LEU A 60 -14.615 0.474 -2.771 1.00 0.00 C ATOM 922 O LEU A 60 -15.215 0.172 -3.802 1.00 0.00 O ATOM 923 CB LEU A 60 -13.050 -0.715 -1.224 1.00 0.00 C ATOM 924 CG LEU A 60 -12.790 -1.158 0.216 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.317 -1.007 0.563 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.652 -0.360 1.184 1.00 0.00 C ATOM 0 H LEU A 60 -14.514 -2.436 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.053 -0.090 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.621 -1.459 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.514 0.218 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.058 -2.211 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.151 -1.327 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.720 -1.623 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.023 0.037 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.454 -0.689 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.416 0.700 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.705 -0.519 0.950 1.00 0.00 H new ATOM 938 N ASN A 61 -14.020 1.650 -2.599 1.00 0.00 N ATOM 939 CA ASN A 61 -14.040 2.676 -3.635 1.00 0.00 C ATOM 940 C ASN A 61 -13.112 3.832 -3.273 1.00 0.00 C ATOM 941 O ASN A 61 -12.747 4.028 -2.114 1.00 0.00 O ATOM 942 CB ASN A 61 -15.464 3.196 -3.839 1.00 0.00 C ATOM 943 CG ASN A 61 -16.258 2.342 -4.810 1.00 0.00 C ATOM 944 OD1 ASN A 61 -17.391 1.954 -4.529 1.00 0.00 O ATOM 945 ND2 ASN A 61 -15.662 2.046 -5.960 1.00 0.00 N ATOM 0 H ASN A 61 -13.518 1.916 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.688 2.227 -4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.979 3.224 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.424 4.221 -4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.146 1.475 -6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.721 2.390 -6.150 1.00 0.00 H new ATOM 952 N PRO A 62 -12.721 4.616 -4.288 1.00 0.00 N ATOM 953 CA PRO A 62 -11.832 5.767 -4.103 1.00 0.00 C ATOM 954 C PRO A 62 -12.510 6.908 -3.353 1.00 0.00 C ATOM 955 O PRO A 62 -11.927 7.978 -3.175 1.00 0.00 O ATOM 956 CB PRO A 62 -11.498 6.192 -5.535 1.00 0.00 C ATOM 957 CG PRO A 62 -12.648 5.710 -6.351 1.00 0.00 C ATOM 958 CD PRO A 62 -13.118 4.441 -5.696 1.00 0.00 C ATOM 0 HA PRO A 62 -10.957 5.514 -3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.384 7.273 -5.611 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.561 5.749 -5.871 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.445 6.453 -6.379 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.346 5.528 -7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.196 4.312 -5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.649 3.562 -6.139 1.00 0.00 H new ATOM 966 N GLN A 63 -13.742 6.673 -2.915 1.00 0.00 N ATOM 967 CA GLN A 63 -14.499 7.683 -2.184 1.00 0.00 C ATOM 968 C GLN A 63 -14.062 7.740 -0.724 1.00 0.00 C ATOM 969 O GLN A 63 -14.306 8.727 -0.031 1.00 0.00 O ATOM 970 CB GLN A 63 -15.997 7.389 -2.270 1.00 0.00 C ATOM 971 CG GLN A 63 -16.359 5.960 -1.901 1.00 0.00 C ATOM 972 CD GLN A 63 -15.868 5.572 -0.520 1.00 0.00 C ATOM 973 OE1 GLN A 63 -15.910 6.373 0.414 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.399 4.337 -0.383 1.00 0.00 N ATOM 0 H GLN A 63 -14.238 5.792 -3.053 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.300 8.652 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.531 8.072 -1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.341 7.592 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.442 5.841 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.933 5.279 -2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.383 3.706 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.055 4.020 0.523 1.00 0.00 H new ATOM 983 N ASP A 64 -13.415 6.675 -0.264 1.00 0.00 N ATOM 984 CA ASP A 64 -12.943 6.603 1.114 1.00 0.00 C ATOM 985 C ASP A 64 -11.434 6.813 1.183 1.00 0.00 C ATOM 986 O ASP A 64 -10.661 6.000 0.675 1.00 0.00 O ATOM 987 CB ASP A 64 -13.312 5.254 1.732 1.00 0.00 C ATOM 988 CG ASP A 64 -14.693 5.262 2.358 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.167 6.353 2.736 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.300 4.176 2.467 1.00 0.00 O ATOM 0 H ASP A 64 -13.205 5.849 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.428 7.398 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.269 4.482 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.574 4.991 2.490 1.00 0.00 H new ATOM 995 N ILE A 65 -11.022 7.908 1.813 1.00 0.00 N ATOM 996 CA ILE A 65 -9.606 8.224 1.948 1.00 0.00 C ATOM 997 C ILE A 65 -9.080 7.816 3.320 1.00 0.00 C ATOM 998 O ILE A 65 -7.965 7.307 3.444 1.00 0.00 O ATOM 999 CB ILE A 65 -9.341 9.726 1.735 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.729 10.139 0.314 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.879 10.050 2.006 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.582 11.621 0.054 1.00 0.00 C ATOM 0 H ILE A 65 -11.649 8.591 2.238 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.082 7.658 1.178 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.954 10.291 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.111 9.591 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.763 9.847 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.708 11.115 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.633 9.789 3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.248 9.478 1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.874 11.841 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.222 12.176 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.544 11.916 0.207 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.890 8.041 4.349 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.509 7.694 5.713 1.00 0.00 C ATOM 1016 C LYS A 66 -9.834 6.235 6.015 1.00 0.00 C ATOM 1017 O LYS A 66 -8.984 5.488 6.498 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.227 8.604 6.712 1.00 0.00 C ATOM 1019 CG LYS A 66 -10.070 8.165 8.157 1.00 0.00 C ATOM 1020 CD LYS A 66 -10.111 9.350 9.108 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.531 9.861 9.300 1.00 0.00 C ATOM 1022 NZ LYS A 66 -12.262 9.092 10.344 1.00 0.00 N ATOM 0 H LYS A 66 -10.815 8.462 4.264 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.433 7.836 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.844 9.619 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.288 8.636 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.864 7.464 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.125 7.634 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.694 9.059 10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.484 10.152 8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.503 10.915 9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.071 9.795 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.225 9.471 10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.311 8.091 10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.761 9.176 11.251 1.00 0.00 H new ATOM 1036 N GLU A 67 -11.069 5.836 5.724 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.504 4.465 5.964 1.00 0.00 C ATOM 1038 C GLU A 67 -10.614 3.473 5.220 1.00 0.00 C ATOM 1039 O GLU A 67 -10.010 2.589 5.826 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.960 4.286 5.530 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.516 2.901 5.820 1.00 0.00 C ATOM 1042 CD GLU A 67 -15.009 2.915 6.082 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.722 3.692 5.413 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.465 2.149 6.957 1.00 0.00 O ATOM 0 H GLU A 67 -11.784 6.442 5.322 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.424 4.267 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.575 5.029 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.039 4.483 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.305 2.245 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.003 2.481 6.685 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.540 3.627 3.902 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.725 2.745 3.074 1.00 0.00 C ATOM 1053 C ASN A 68 -8.346 2.539 3.693 1.00 0.00 C ATOM 1054 O ASN A 68 -7.918 1.407 3.916 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.583 3.322 1.664 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.740 2.937 0.762 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.745 2.393 1.221 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.602 3.217 -0.529 1.00 0.00 N ATOM 0 H ASN A 68 -11.034 4.354 3.384 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.225 1.778 3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.519 4.408 1.724 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.650 2.971 1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.347 2.980 -1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.751 3.669 -0.865 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.656 3.641 3.967 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.325 3.581 4.560 1.00 0.00 C ATOM 1067 C ASN A 69 -6.360 2.859 5.903 1.00 0.00 C ATOM 1068 O ASN A 69 -5.545 1.974 6.167 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.761 4.992 4.741 1.00 0.00 C ATOM 1070 CG ASN A 69 -5.149 5.538 3.465 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.937 5.735 3.379 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.989 5.787 2.466 1.00 0.00 N ATOM 0 H ASN A 69 -7.996 4.586 3.788 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.678 3.022 3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.557 5.659 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.006 4.981 5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.636 6.157 1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.987 5.608 2.582 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.309 3.242 6.750 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.453 2.632 8.066 1.00 0.00 C ATOM 1081 C LYS A 70 -7.443 1.110 7.964 1.00 0.00 C ATOM 1082 O LYS A 70 -6.760 0.430 8.730 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.750 3.100 8.729 1.00 0.00 C ATOM 1084 CG LYS A 70 -9.072 2.368 10.021 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.862 3.245 10.977 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.053 2.568 12.326 1.00 0.00 C ATOM 1087 NZ LYS A 70 -10.830 1.303 12.207 1.00 0.00 N ATOM 0 H LYS A 70 -7.991 3.973 6.548 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.606 2.944 8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.678 4.168 8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.575 2.965 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.643 1.467 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.146 2.049 10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.343 4.194 11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.835 3.474 10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.079 2.356 12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.568 3.248 13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.041 0.934 13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.720 1.489 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.273 0.602 11.679 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.203 0.580 7.012 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.280 -0.861 6.806 1.00 0.00 C ATOM 1103 C LYS A 71 -6.886 -1.475 6.728 1.00 0.00 C ATOM 1104 O LYS A 71 -6.515 -2.303 7.560 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.059 -1.174 5.526 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.566 -1.101 5.698 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.258 -0.723 4.399 1.00 0.00 C ATOM 1108 CE LYS A 71 -12.568 0.004 4.656 1.00 0.00 C ATOM 1109 NZ LYS A 71 -13.716 -0.939 4.758 1.00 0.00 N ATOM 0 H LYS A 71 -8.775 1.128 6.370 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.803 -1.297 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.756 -0.475 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.789 -2.172 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.941 -2.064 6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.810 -0.369 6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.599 -0.089 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.449 -1.622 3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.489 0.580 5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.753 0.715 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.600 -0.434 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.588 -1.717 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.763 -1.326 5.722 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.118 -1.062 5.726 1.00 0.00 N ATOM 1124 CA ALA A 72 -4.763 -1.568 5.542 1.00 0.00 C ATOM 1125 C ALA A 72 -4.009 -1.611 6.867 1.00 0.00 C ATOM 1126 O ALA A 72 -3.782 -2.683 7.429 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.012 -0.713 4.533 1.00 0.00 C ATOM 0 H ALA A 72 -6.411 -0.378 5.028 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.831 -2.586 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.002 -1.103 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.533 -0.737 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.962 0.315 4.893 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.623 -0.440 7.361 1.00 0.00 N ATOM 1134 CA TYR A 73 -2.891 -0.345 8.618 1.00 0.00 C ATOM 1135 C TYR A 73 -3.371 -1.400 9.610 1.00 0.00 C ATOM 1136 O TYR A 73 -2.568 -2.061 10.268 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.055 1.051 9.223 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.712 2.170 8.265 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.555 2.123 7.497 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.545 3.274 8.129 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.238 3.143 6.621 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.236 4.298 7.255 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.081 4.228 6.504 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.769 5.247 5.633 1.00 0.00 O ATOM 0 H TYR A 73 -3.805 0.457 6.910 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.836 -0.523 8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.085 1.174 9.558 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.421 1.132 10.106 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.892 1.275 7.586 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.449 3.332 8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.335 3.091 6.031 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.895 5.149 7.160 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.489 5.348 4.976 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.687 -1.553 9.710 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.277 -2.529 10.619 1.00 0.00 C ATOM 1156 C ASP A 74 -4.870 -3.948 10.231 1.00 0.00 C ATOM 1157 O ASP A 74 -4.508 -4.755 11.086 1.00 0.00 O ATOM 1158 CB ASP A 74 -6.801 -2.404 10.617 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.416 -2.800 11.945 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -6.715 -2.709 12.973 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.599 -3.201 11.955 1.00 0.00 O ATOM 0 H ASP A 74 -5.366 -1.013 9.173 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.905 -2.325 11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.078 -1.376 10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.213 -3.032 9.827 1.00 0.00 H new ATOM 1166 N GLY A 75 -4.933 -4.243 8.937 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.569 -5.565 8.459 1.00 0.00 C ATOM 1168 C GLY A 75 -3.071 -5.795 8.474 1.00 0.00 C ATOM 1169 O GLY A 75 -2.587 -6.737 9.100 1.00 0.00 O ATOM 0 H GLY A 75 -5.229 -3.591 8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.055 -6.319 9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.944 -5.697 7.444 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.335 -4.933 7.781 1.00 0.00 N ATOM 1174 CA PHE A 76 -0.883 -5.048 7.714 1.00 0.00 C ATOM 1175 C PHE A 76 -0.280 -5.137 9.113 1.00 0.00 C ATOM 1176 O PHE A 76 0.619 -5.940 9.363 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.289 -3.852 6.966 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.572 -3.867 5.491 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.181 -4.941 4.708 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.230 -2.807 4.888 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.441 -4.958 3.350 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.493 -2.819 3.531 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.097 -3.895 2.761 1.00 0.00 C ATOM 0 H PHE A 76 -2.720 -4.147 7.258 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.640 -5.963 7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.686 -2.932 7.395 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.790 -3.836 7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.333 -5.775 5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.541 -1.962 5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.131 -5.801 2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.008 -1.987 3.073 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.300 -3.905 1.700 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.782 -4.307 10.021 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.294 -4.293 11.395 1.00 0.00 C ATOM 1195 C ALA A 77 -0.696 -5.566 12.133 1.00 0.00 C ATOM 1196 O ALA A 77 0.020 -6.032 13.019 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.819 -3.068 12.129 1.00 0.00 C ATOM 0 H ALA A 77 -1.526 -3.636 9.830 1.00 0.00 H new ATOM 0 HA ALA A 77 0.795 -4.248 11.367 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.447 -3.070 13.153 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.478 -2.166 11.621 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.909 -3.089 12.139 1.00 0.00 H new ATOM 1203 N SER A 78 -1.844 -6.122 11.762 1.00 0.00 N ATOM 1204 CA SER A 78 -2.343 -7.339 12.393 1.00 0.00 C ATOM 1205 C SER A 78 -1.232 -8.376 12.526 1.00 0.00 C ATOM 1206 O SER A 78 -1.027 -8.947 13.597 1.00 0.00 O ATOM 1207 CB SER A 78 -3.503 -7.920 11.582 1.00 0.00 C ATOM 1208 OG SER A 78 -4.224 -8.878 12.338 1.00 0.00 O ATOM 0 H SER A 78 -2.447 -5.750 11.028 1.00 0.00 H new ATOM 0 HA SER A 78 -2.699 -7.082 13.391 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.173 -7.117 11.273 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.119 -8.383 10.673 1.00 0.00 H new ATOM 0 HG SER A 78 -4.961 -9.233 11.798 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.519 -8.614 11.431 1.00 0.00 N ATOM 1215 CA ILE A 79 0.572 -9.581 11.425 1.00 0.00 C ATOM 1216 C ILE A 79 1.758 -9.077 12.240 1.00 0.00 C ATOM 1217 O ILE A 79 2.412 -9.846 12.944 1.00 0.00 O ATOM 1218 CB ILE A 79 1.043 -9.890 9.991 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.291 -8.591 9.222 1.00 0.00 C ATOM 1220 CG2 ILE A 79 0.017 -10.751 9.270 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.966 -8.800 7.884 1.00 0.00 C ATOM 0 H ILE A 79 -0.677 -8.151 10.536 1.00 0.00 H new ATOM 0 HA ILE A 79 0.186 -10.495 11.877 1.00 0.00 H new ATOM 0 HB ILE A 79 1.980 -10.444 10.044 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.339 -8.084 9.064 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.907 -7.930 9.831 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.364 -10.961 8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.115 -11.689 9.810 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.935 -10.222 9.224 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.110 -7.837 7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.934 -9.279 8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.341 -9.436 7.257 1.00 0.00 H new ATOM 1233 N GLY A 80 2.028 -7.779 12.142 1.00 0.00 N ATOM 1234 CA GLY A 80 3.134 -7.194 12.877 1.00 0.00 C ATOM 1235 C GLY A 80 3.843 -6.109 12.091 1.00 0.00 C ATOM 1236 O GLY A 80 5.055 -5.934 12.216 1.00 0.00 O ATOM 0 H GLY A 80 1.501 -7.122 11.567 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.764 -6.777 13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.848 -7.976 13.136 1.00 0.00 H new ATOM 1240 N ILE A 81 3.086 -5.379 11.278 1.00 0.00 N ATOM 1241 CA ILE A 81 3.650 -4.306 10.468 1.00 0.00 C ATOM 1242 C ILE A 81 3.331 -2.940 11.066 1.00 0.00 C ATOM 1243 O ILE A 81 2.233 -2.414 10.887 1.00 0.00 O ATOM 1244 CB ILE A 81 3.124 -4.356 9.021 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.435 -5.715 8.390 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.732 -3.231 8.197 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.814 -5.901 7.023 1.00 0.00 C ATOM 0 H ILE A 81 2.081 -5.511 11.163 1.00 0.00 H new ATOM 0 HA ILE A 81 4.730 -4.453 10.458 1.00 0.00 H new ATOM 0 HB ILE A 81 2.042 -4.223 9.038 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.516 -5.830 8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.080 -6.504 9.052 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.351 -3.280 7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.465 -2.271 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.817 -3.335 8.184 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.075 -6.886 6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.730 -5.818 7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.189 -5.133 6.346 1.00 0.00 H new ATOM 1259 N SER A 82 4.299 -2.371 11.777 1.00 0.00 N ATOM 1260 CA SER A 82 4.121 -1.066 12.404 1.00 0.00 C ATOM 1261 C SER A 82 3.531 -0.065 11.415 1.00 0.00 C ATOM 1262 O SER A 82 3.989 0.044 10.277 1.00 0.00 O ATOM 1263 CB SER A 82 5.458 -0.546 12.937 1.00 0.00 C ATOM 1264 OG SER A 82 5.693 -1.006 14.257 1.00 0.00 O ATOM 0 H SER A 82 5.214 -2.793 11.933 1.00 0.00 H new ATOM 0 HA SER A 82 3.427 -1.181 13.236 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.266 -0.875 12.284 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.460 0.544 12.922 1.00 0.00 H new ATOM 0 HG SER A 82 6.554 -0.662 14.575 1.00 0.00 H new ATOM 1270 N ARG A 83 2.513 0.665 11.859 1.00 0.00 N ATOM 1271 CA ARG A 83 1.858 1.657 11.014 1.00 0.00 C ATOM 1272 C ARG A 83 2.608 2.985 11.056 1.00 0.00 C ATOM 1273 O ARG A 83 2.604 3.681 12.072 1.00 0.00 O ATOM 1274 CB ARG A 83 0.410 1.862 11.460 1.00 0.00 C ATOM 1275 CG ARG A 83 0.276 2.333 12.899 1.00 0.00 C ATOM 1276 CD ARG A 83 -1.064 1.932 13.495 1.00 0.00 C ATOM 1277 NE ARG A 83 -1.070 0.542 13.943 1.00 0.00 N ATOM 1278 CZ ARG A 83 -2.008 0.028 14.731 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -3.011 0.785 15.154 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -1.944 -1.246 15.096 1.00 0.00 N ATOM 0 H ARG A 83 2.124 0.588 12.799 1.00 0.00 H new ATOM 0 HA ARG A 83 1.865 1.287 9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.064 2.591 10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.134 0.925 11.341 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.083 1.910 13.498 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.383 3.417 12.939 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.296 2.585 14.336 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.849 2.077 12.753 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.313 -0.067 13.634 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.064 1.765 14.874 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.730 0.388 15.759 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.174 -1.831 14.772 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.664 -1.640 15.701 1.00 0.00 H new ATOM 1294 N LEU A 84 3.250 3.332 9.945 1.00 0.00 N ATOM 1295 CA LEU A 84 4.004 4.577 9.854 1.00 0.00 C ATOM 1296 C LEU A 84 3.107 5.726 9.406 1.00 0.00 C ATOM 1297 O LEU A 84 3.162 6.824 9.962 1.00 0.00 O ATOM 1298 CB LEU A 84 5.173 4.418 8.880 1.00 0.00 C ATOM 1299 CG LEU A 84 6.370 3.616 9.393 1.00 0.00 C ATOM 1300 CD1 LEU A 84 6.058 2.127 9.383 1.00 0.00 C ATOM 1301 CD2 LEU A 84 7.606 3.910 8.556 1.00 0.00 C ATOM 0 H LEU A 84 3.263 2.768 9.095 1.00 0.00 H new ATOM 0 HA LEU A 84 4.393 4.810 10.845 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.802 3.939 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.521 5.411 8.596 1.00 0.00 H new ATOM 0 HG LEU A 84 6.572 3.917 10.421 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.921 1.572 9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.199 1.931 10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.830 1.810 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.448 3.331 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.416 3.637 7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.841 4.973 8.615 1.00 0.00 H new ATOM 1313 N LEU A 85 2.279 5.465 8.401 1.00 0.00 N ATOM 1314 CA LEU A 85 1.367 6.477 7.879 1.00 0.00 C ATOM 1315 C LEU A 85 -0.021 6.328 8.494 1.00 0.00 C ATOM 1316 O LEU A 85 -0.408 5.240 8.918 1.00 0.00 O ATOM 1317 CB LEU A 85 1.276 6.374 6.356 1.00 0.00 C ATOM 1318 CG LEU A 85 0.815 7.635 5.623 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.813 8.764 5.826 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.623 7.350 4.141 1.00 0.00 C ATOM 0 H LEU A 85 2.220 4.562 7.931 1.00 0.00 H new ATOM 0 HA LEU A 85 1.760 7.458 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.257 6.093 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.592 5.563 6.107 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.143 7.945 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.469 9.653 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.901 8.985 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.786 8.464 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.295 8.258 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.566 7.015 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.130 6.572 4.015 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.766 7.428 8.536 1.00 0.00 N ATOM 1333 CA GLU A 86 -2.112 7.418 9.098 1.00 0.00 C ATOM 1334 C GLU A 86 -3.157 7.646 8.010 1.00 0.00 C ATOM 1335 O GLU A 86 -2.905 8.304 6.999 1.00 0.00 O ATOM 1336 CB GLU A 86 -2.244 8.492 10.180 1.00 0.00 C ATOM 1337 CG GLU A 86 -1.295 8.296 11.350 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.258 6.861 11.839 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.330 6.222 11.882 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -0.158 6.377 12.177 1.00 0.00 O ATOM 0 H GLU A 86 -0.461 8.337 8.188 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.285 6.439 9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.061 9.470 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.269 8.498 10.551 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.291 8.601 11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.596 8.947 12.170 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.359 7.089 8.219 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.467 7.217 7.268 1.00 0.00 C ATOM 1349 C PRO A 87 -6.025 8.636 7.214 1.00 0.00 C ATOM 1350 O PRO A 87 -6.166 9.217 6.139 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.519 6.250 7.816 1.00 0.00 C ATOM 1352 CG PRO A 87 -6.221 6.152 9.273 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.729 6.292 9.401 1.00 0.00 C ATOM 0 HA PRO A 87 -5.155 6.995 6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.528 6.623 7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.452 5.276 7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.736 6.935 9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.560 5.198 9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.450 6.794 10.328 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.233 5.321 9.403 1.00 0.00 H new ATOM 1361 N SER A 88 -6.339 9.187 8.382 1.00 0.00 N ATOM 1362 CA SER A 88 -6.885 10.537 8.467 1.00 0.00 C ATOM 1363 C SER A 88 -5.869 11.565 7.980 1.00 0.00 C ATOM 1364 O SER A 88 -6.233 12.585 7.393 1.00 0.00 O ATOM 1365 CB SER A 88 -7.296 10.853 9.907 1.00 0.00 C ATOM 1366 OG SER A 88 -6.165 10.919 10.758 1.00 0.00 O ATOM 0 H SER A 88 -6.225 8.720 9.282 1.00 0.00 H new ATOM 0 HA SER A 88 -7.765 10.588 7.825 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.832 11.802 9.935 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.983 10.088 10.269 1.00 0.00 H new ATOM 0 HG SER A 88 -6.455 11.124 11.672 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.593 11.290 8.226 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.522 12.189 7.812 1.00 0.00 C ATOM 1374 C ASP A 89 -3.623 12.504 6.322 1.00 0.00 C ATOM 1375 O ASP A 89 -3.378 13.633 5.899 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.158 11.571 8.124 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.724 11.820 9.555 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -2.544 11.599 10.471 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.565 12.235 9.760 1.00 0.00 O ATOM 0 H ASP A 89 -4.275 10.451 8.711 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.626 13.119 8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.198 10.497 7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.412 11.982 7.444 1.00 0.00 H new ATOM 1384 N MET A 90 -3.984 11.497 5.533 1.00 0.00 N ATOM 1385 CA MET A 90 -4.116 11.667 4.091 1.00 0.00 C ATOM 1386 C MET A 90 -5.207 12.681 3.761 1.00 0.00 C ATOM 1387 O MET A 90 -5.080 13.459 2.816 1.00 0.00 O ATOM 1388 CB MET A 90 -4.432 10.326 3.425 1.00 0.00 C ATOM 1389 CG MET A 90 -3.418 9.238 3.739 1.00 0.00 C ATOM 1390 SD MET A 90 -1.979 9.296 2.654 1.00 0.00 S ATOM 1391 CE MET A 90 -1.978 7.628 2.003 1.00 0.00 C ATOM 0 H MET A 90 -4.190 10.556 5.868 1.00 0.00 H new ATOM 0 HA MET A 90 -3.168 12.042 3.706 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.420 9.994 3.745 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.478 10.468 2.345 1.00 0.00 H new ATOM 0 HG2 MET A 90 -3.092 9.338 4.774 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.897 8.263 3.649 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.198 7.533 1.247 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.788 6.922 2.811 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.947 7.412 1.553 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.280 12.666 4.546 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.392 13.585 4.338 1.00 0.00 C ATOM 1403 C VAL A 91 -7.015 15.006 4.743 1.00 0.00 C ATOM 1404 O VAL A 91 -7.198 15.952 3.976 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.637 13.150 5.134 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.803 14.087 4.857 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -9.006 11.712 4.799 1.00 0.00 C ATOM 0 H VAL A 91 -6.402 12.027 5.332 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.624 13.563 3.273 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.405 13.204 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.673 13.764 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.533 15.101 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.040 14.069 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.888 11.420 5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.220 11.630 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.175 11.054 5.054 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.487 15.149 5.954 1.00 0.00 N ATOM 1418 CA LEU A 92 -6.082 16.455 6.462 1.00 0.00 C ATOM 1419 C LEU A 92 -5.376 17.266 5.380 1.00 0.00 C ATOM 1420 O LEU A 92 -5.778 18.388 5.068 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.163 16.290 7.673 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.735 15.494 8.847 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.615 14.972 9.734 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.701 16.350 9.652 1.00 0.00 C ATOM 0 H LEU A 92 -6.330 14.377 6.602 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.980 16.994 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.245 15.804 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.887 17.281 8.032 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.283 14.640 8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.041 14.408 10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.962 14.322 9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.038 15.811 10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.098 15.767 10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.177 17.224 10.039 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.521 16.673 9.011 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.323 16.691 4.810 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.562 17.359 3.760 1.00 0.00 C ATOM 1438 C LEU A 93 -4.037 16.919 2.379 1.00 0.00 C ATOM 1439 O LEU A 93 -4.868 16.020 2.255 1.00 0.00 O ATOM 1440 CB LEU A 93 -2.070 17.062 3.917 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.679 15.584 3.950 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.611 15.018 2.540 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.349 15.399 4.666 1.00 0.00 C ATOM 0 H LEU A 93 -3.977 15.764 5.057 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.725 18.433 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.537 17.540 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.722 17.530 4.838 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.444 15.038 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.331 13.965 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.586 15.115 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.867 15.567 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.087 14.341 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.427 15.958 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.433 15.765 5.689 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.502 17.558 1.344 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.868 17.230 -0.029 1.00 0.00 C ATOM 1457 C ALA A 94 -2.945 16.160 -0.602 1.00 0.00 C ATOM 1458 O ALA A 94 -3.406 15.135 -1.106 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.833 18.479 -0.897 1.00 0.00 C ATOM 0 H ALA A 94 -2.814 18.306 1.430 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.883 16.833 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.108 18.219 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.538 19.213 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.828 18.900 -0.888 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.642 16.404 -0.522 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.655 15.460 -1.033 1.00 0.00 C ATOM 1467 C ILE A 95 0.285 14.995 0.074 1.00 0.00 C ATOM 1468 O ILE A 95 0.930 15.796 0.752 1.00 0.00 O ATOM 1469 CB ILE A 95 0.177 16.077 -2.173 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.743 16.640 -3.258 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.124 15.040 -2.758 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.425 15.572 -4.085 1.00 0.00 C ATOM 0 H ILE A 95 -1.244 17.247 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.208 14.604 -1.420 1.00 0.00 H new ATOM 0 HB ILE A 95 0.772 16.896 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.503 17.266 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.162 17.284 -3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.705 15.491 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.798 14.683 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.548 14.202 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.061 16.043 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.672 14.960 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.034 14.943 -3.436 1.00 0.00 H new ATOM 1484 N PRO A 96 0.368 13.670 0.262 1.00 0.00 N ATOM 1485 CA PRO A 96 1.230 13.068 1.284 1.00 0.00 C ATOM 1486 C PRO A 96 2.711 13.213 0.952 1.00 0.00 C ATOM 1487 O PRO A 96 3.074 13.795 -0.070 1.00 0.00 O ATOM 1488 CB PRO A 96 0.820 11.593 1.268 1.00 0.00 C ATOM 1489 CG PRO A 96 0.278 11.364 -0.100 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.371 12.657 -0.510 1.00 0.00 C ATOM 0 HA PRO A 96 1.109 13.548 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.672 10.943 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.071 11.382 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.073 11.089 -0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.444 10.547 -0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.284 12.828 -1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.434 12.666 -0.271 1.00 0.00 H new ATOM 1498 N ASP A 97 3.562 12.679 1.822 1.00 0.00 N ATOM 1499 CA ASP A 97 5.005 12.748 1.620 1.00 0.00 C ATOM 1500 C ASP A 97 5.529 11.455 1.002 1.00 0.00 C ATOM 1501 O ASP A 97 5.783 10.477 1.705 1.00 0.00 O ATOM 1502 CB ASP A 97 5.714 13.017 2.948 1.00 0.00 C ATOM 1503 CG ASP A 97 5.769 14.495 3.285 1.00 0.00 C ATOM 1504 OD1 ASP A 97 4.724 15.168 3.173 1.00 0.00 O ATOM 1505 OD2 ASP A 97 6.859 14.978 3.660 1.00 0.00 O ATOM 0 H ASP A 97 3.278 12.194 2.673 1.00 0.00 H new ATOM 0 HA ASP A 97 5.213 13.568 0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.198 12.484 3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.728 12.619 2.903 1.00 0.00 H new ATOM 1510 N LYS A 98 5.688 11.458 -0.317 1.00 0.00 N ATOM 1511 CA LYS A 98 6.182 10.287 -1.031 1.00 0.00 C ATOM 1512 C LYS A 98 7.202 9.527 -0.189 1.00 0.00 C ATOM 1513 O LYS A 98 7.034 8.337 0.083 1.00 0.00 O ATOM 1514 CB LYS A 98 6.812 10.704 -2.362 1.00 0.00 C ATOM 1515 CG LYS A 98 7.150 9.532 -3.268 1.00 0.00 C ATOM 1516 CD LYS A 98 8.034 9.961 -4.427 1.00 0.00 C ATOM 1517 CE LYS A 98 9.454 10.254 -3.967 1.00 0.00 C ATOM 1518 NZ LYS A 98 9.622 11.676 -3.558 1.00 0.00 N ATOM 0 H LYS A 98 5.482 12.259 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 98 5.336 9.628 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.127 11.371 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.721 11.272 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.656 8.758 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.230 9.092 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.050 9.176 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.613 10.849 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.706 9.603 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.152 10.023 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.467 12.072 -4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.784 12.221 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.732 11.729 -2.525 1.00 0.00 H new ATOM 1532 N LEU A 99 8.258 10.220 0.221 1.00 0.00 N ATOM 1533 CA LEU A 99 9.305 9.610 1.034 1.00 0.00 C ATOM 1534 C LEU A 99 8.707 8.676 2.080 1.00 0.00 C ATOM 1535 O LEU A 99 8.994 7.478 2.096 1.00 0.00 O ATOM 1536 CB LEU A 99 10.141 10.693 1.718 1.00 0.00 C ATOM 1537 CG LEU A 99 9.444 12.033 1.951 1.00 0.00 C ATOM 1538 CD1 LEU A 99 10.000 12.717 3.190 1.00 0.00 C ATOM 1539 CD2 LEU A 99 9.595 12.932 0.732 1.00 0.00 C ATOM 0 H LEU A 99 8.412 11.205 0.004 1.00 0.00 H new ATOM 0 HA LEU A 99 9.948 9.024 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.478 10.309 2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.032 10.870 1.116 1.00 0.00 H new ATOM 0 HG LEU A 99 8.382 11.844 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.491 13.669 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.840 12.080 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.068 12.893 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 99 9.093 13.882 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.653 13.112 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.148 12.447 -0.136 1.00 0.00 H new ATOM 1551 N THR A 100 7.872 9.230 2.953 1.00 0.00 N ATOM 1552 CA THR A 100 7.232 8.447 4.003 1.00 0.00 C ATOM 1553 C THR A 100 6.439 7.285 3.415 1.00 0.00 C ATOM 1554 O THR A 100 6.718 6.121 3.702 1.00 0.00 O ATOM 1555 CB THR A 100 6.291 9.316 4.858 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.993 10.466 5.343 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.738 8.521 6.032 1.00 0.00 C ATOM 0 H THR A 100 7.623 10.219 2.954 1.00 0.00 H new ATOM 0 HA THR A 100 8.028 8.057 4.637 1.00 0.00 H new ATOM 0 HB THR A 100 5.458 9.636 4.232 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.388 11.015 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.076 9.155 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.180 7.662 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.561 8.175 6.657 1.00 0.00 H new ATOM 1565 N VAL A 101 5.447 7.609 2.591 1.00 0.00 N ATOM 1566 CA VAL A 101 4.614 6.592 1.961 1.00 0.00 C ATOM 1567 C VAL A 101 5.456 5.424 1.461 1.00 0.00 C ATOM 1568 O VAL A 101 5.280 4.287 1.898 1.00 0.00 O ATOM 1569 CB VAL A 101 3.812 7.174 0.782 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.009 6.082 0.091 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.901 8.295 1.260 1.00 0.00 C ATOM 0 H VAL A 101 5.201 8.568 2.345 1.00 0.00 H new ATOM 0 HA VAL A 101 3.920 6.236 2.722 1.00 0.00 H new ATOM 0 HB VAL A 101 4.513 7.589 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.449 6.512 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.686 5.316 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.316 5.634 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.342 8.695 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.205 7.906 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.502 9.088 1.705 1.00 0.00 H new ATOM 1581 N MET A 102 6.372 5.712 0.542 1.00 0.00 N ATOM 1582 CA MET A 102 7.243 4.685 -0.017 1.00 0.00 C ATOM 1583 C MET A 102 7.909 3.875 1.091 1.00 0.00 C ATOM 1584 O MET A 102 7.992 2.649 1.015 1.00 0.00 O ATOM 1585 CB MET A 102 8.309 5.322 -0.910 1.00 0.00 C ATOM 1586 CG MET A 102 7.771 5.808 -2.246 1.00 0.00 C ATOM 1587 SD MET A 102 9.067 6.447 -3.326 1.00 0.00 S ATOM 1588 CE MET A 102 9.572 4.950 -4.171 1.00 0.00 C ATOM 0 H MET A 102 6.530 6.648 0.169 1.00 0.00 H new ATOM 0 HA MET A 102 6.631 4.012 -0.617 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.759 6.162 -0.382 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.102 4.596 -1.089 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.258 4.987 -2.747 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.030 6.589 -2.073 1.00 0.00 H new ATOM 0 HE1 MET A 102 9.912 5.197 -5.177 1.00 0.00 H new ATOM 0 HE2 MET A 102 10.385 4.477 -3.619 1.00 0.00 H new ATOM 0 HE3 MET A 102 8.727 4.264 -4.231 1.00 0.00 H new ATOM 1598 N THR A 103 8.383 4.568 2.122 1.00 0.00 N ATOM 1599 CA THR A 103 9.043 3.914 3.244 1.00 0.00 C ATOM 1600 C THR A 103 8.152 2.838 3.855 1.00 0.00 C ATOM 1601 O THR A 103 8.598 1.719 4.107 1.00 0.00 O ATOM 1602 CB THR A 103 9.427 4.928 4.339 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.250 5.959 3.783 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.166 4.240 5.477 1.00 0.00 C ATOM 0 H THR A 103 8.322 5.583 2.202 1.00 0.00 H new ATOM 0 HA THR A 103 9.949 3.453 2.852 1.00 0.00 H new ATOM 0 HB THR A 103 8.512 5.368 4.735 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.682 6.656 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.427 4.975 6.238 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.526 3.474 5.916 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.075 3.777 5.093 1.00 0.00 H new ATOM 1612 N TYR A 104 6.891 3.184 4.089 1.00 0.00 N ATOM 1613 CA TYR A 104 5.937 2.247 4.671 1.00 0.00 C ATOM 1614 C TYR A 104 5.761 1.023 3.778 1.00 0.00 C ATOM 1615 O TYR A 104 5.881 -0.115 4.234 1.00 0.00 O ATOM 1616 CB TYR A 104 4.587 2.932 4.889 1.00 0.00 C ATOM 1617 CG TYR A 104 3.564 2.050 5.570 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.905 1.283 6.676 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.256 1.985 5.106 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.974 0.476 7.301 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.317 1.182 5.725 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.682 0.429 6.821 1.00 0.00 C ATOM 1623 OH TYR A 104 0.751 -0.373 7.441 1.00 0.00 O ATOM 0 H TYR A 104 6.506 4.106 3.885 1.00 0.00 H new ATOM 0 HA TYR A 104 6.330 1.918 5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.737 3.830 5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.193 3.254 3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.916 1.318 7.054 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.968 2.572 4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.256 -0.114 8.160 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.304 1.144 5.353 1.00 0.00 H new ATOM 0 HH TYR A 104 0.968 -0.450 8.394 1.00 0.00 H new ATOM 1633 N LEU A 105 5.477 1.265 2.503 1.00 0.00 N ATOM 1634 CA LEU A 105 5.285 0.183 1.544 1.00 0.00 C ATOM 1635 C LEU A 105 6.372 -0.877 1.694 1.00 0.00 C ATOM 1636 O LEU A 105 6.085 -2.039 1.982 1.00 0.00 O ATOM 1637 CB LEU A 105 5.288 0.734 0.117 1.00 0.00 C ATOM 1638 CG LEU A 105 3.930 1.164 -0.439 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.110 2.096 -1.626 1.00 0.00 C ATOM 1640 CD2 LEU A 105 3.106 -0.053 -0.834 1.00 0.00 C ATOM 0 H LEU A 105 5.375 2.200 2.110 1.00 0.00 H new ATOM 0 HA LEU A 105 4.320 -0.282 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.961 1.591 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.705 -0.026 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 105 3.394 1.703 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.133 2.391 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.660 2.983 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.666 1.583 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.143 0.272 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.638 -0.620 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.946 -0.684 0.040 1.00 0.00 H new ATOM 1652 N TYR A 106 7.621 -0.468 1.498 1.00 0.00 N ATOM 1653 CA TYR A 106 8.751 -1.383 1.612 1.00 0.00 C ATOM 1654 C TYR A 106 8.530 -2.385 2.740 1.00 0.00 C ATOM 1655 O TYR A 106 8.836 -3.569 2.601 1.00 0.00 O ATOM 1656 CB TYR A 106 10.044 -0.601 1.854 1.00 0.00 C ATOM 1657 CG TYR A 106 10.583 0.076 0.615 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.824 -0.646 -0.547 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.851 1.440 0.606 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.318 -0.031 -1.681 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.344 2.063 -0.524 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.576 1.323 -1.665 1.00 0.00 C ATOM 1663 OH TYR A 106 12.067 1.940 -2.793 1.00 0.00 O ATOM 0 H TYR A 106 7.876 0.490 1.260 1.00 0.00 H new ATOM 0 HA TYR A 106 8.837 -1.933 0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.865 0.153 2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.801 -1.280 2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.622 -1.707 -0.564 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.671 2.022 1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.501 -0.608 -2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.547 3.124 -0.514 1.00 0.00 H new ATOM 0 HH TYR A 106 12.193 2.895 -2.615 1.00 0.00 H new ATOM 1673 N GLN A 107 7.996 -1.901 3.857 1.00 0.00 N ATOM 1674 CA GLN A 107 7.733 -2.754 5.010 1.00 0.00 C ATOM 1675 C GLN A 107 6.842 -3.930 4.625 1.00 0.00 C ATOM 1676 O GLN A 107 7.182 -5.087 4.875 1.00 0.00 O ATOM 1677 CB GLN A 107 7.076 -1.946 6.130 1.00 0.00 C ATOM 1678 CG GLN A 107 7.859 -0.703 6.523 1.00 0.00 C ATOM 1679 CD GLN A 107 8.879 -0.976 7.611 1.00 0.00 C ATOM 1680 OE1 GLN A 107 8.584 -1.650 8.599 1.00 0.00 O ATOM 1681 NE2 GLN A 107 10.086 -0.453 7.435 1.00 0.00 N ATOM 0 H GLN A 107 7.737 -0.923 3.988 1.00 0.00 H new ATOM 0 HA GLN A 107 8.686 -3.145 5.366 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.075 -1.650 5.815 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.959 -2.584 7.006 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.368 -0.306 5.645 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.166 0.066 6.865 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.286 0.099 6.601 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.814 -0.603 8.134 1.00 0.00 H new ATOM 1690 N ILE A 108 5.700 -3.627 4.016 1.00 0.00 N ATOM 1691 CA ILE A 108 4.760 -4.659 3.597 1.00 0.00 C ATOM 1692 C ILE A 108 5.381 -5.572 2.545 1.00 0.00 C ATOM 1693 O ILE A 108 5.468 -6.785 2.734 1.00 0.00 O ATOM 1694 CB ILE A 108 3.466 -4.046 3.030 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.771 -3.194 4.094 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.536 -5.141 2.530 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.203 -1.744 4.084 1.00 0.00 C ATOM 0 H ILE A 108 5.404 -2.675 3.802 1.00 0.00 H new ATOM 0 HA ILE A 108 4.516 -5.243 4.484 1.00 0.00 H new ATOM 0 HB ILE A 108 3.724 -3.403 2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.693 -3.245 3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.974 -3.618 5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.626 -4.692 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.033 -5.710 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.282 -5.807 3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.670 -1.200 4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.276 -1.683 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.975 -1.303 3.114 1.00 0.00 H new ATOM 1709 N ARG A 109 5.812 -4.980 1.436 1.00 0.00 N ATOM 1710 CA ARG A 109 6.425 -5.740 0.353 1.00 0.00 C ATOM 1711 C ARG A 109 7.607 -6.558 0.864 1.00 0.00 C ATOM 1712 O ARG A 109 7.872 -7.656 0.376 1.00 0.00 O ATOM 1713 CB ARG A 109 6.887 -4.798 -0.761 1.00 0.00 C ATOM 1714 CG ARG A 109 7.860 -5.440 -1.737 1.00 0.00 C ATOM 1715 CD ARG A 109 9.302 -5.251 -1.291 1.00 0.00 C ATOM 1716 NE ARG A 109 10.251 -5.751 -2.283 1.00 0.00 N ATOM 1717 CZ ARG A 109 11.502 -5.319 -2.385 1.00 0.00 C ATOM 1718 NH1 ARG A 109 11.954 -4.383 -1.561 1.00 0.00 N ATOM 1719 NH2 ARG A 109 12.306 -5.823 -3.313 1.00 0.00 N ATOM 0 H ARG A 109 5.748 -3.977 1.264 1.00 0.00 H new ATOM 0 HA ARG A 109 5.677 -6.425 -0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.015 -4.444 -1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.359 -3.923 -0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.641 -6.504 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.724 -5.005 -2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.490 -4.193 -1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.460 -5.769 -0.345 1.00 0.00 H new ATOM 0 HE ARG A 109 9.935 -6.471 -2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.340 -3.993 -0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.916 -4.053 -1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.963 -6.543 -3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.267 -5.490 -3.390 1.00 0.00 H new ATOM 1733 N ALA A 110 8.313 -6.016 1.851 1.00 0.00 N ATOM 1734 CA ALA A 110 9.465 -6.696 2.429 1.00 0.00 C ATOM 1735 C ALA A 110 9.029 -7.876 3.292 1.00 0.00 C ATOM 1736 O ALA A 110 9.645 -8.942 3.260 1.00 0.00 O ATOM 1737 CB ALA A 110 10.298 -5.721 3.247 1.00 0.00 C ATOM 0 H ALA A 110 8.107 -5.108 2.267 1.00 0.00 H new ATOM 0 HA ALA A 110 10.076 -7.082 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.155 -6.243 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.648 -4.913 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.689 -5.308 4.051 1.00 0.00 H new ATOM 1743 N HIS A 111 7.965 -7.678 4.064 1.00 0.00 N ATOM 1744 CA HIS A 111 7.447 -8.726 4.936 1.00 0.00 C ATOM 1745 C HIS A 111 7.097 -9.976 4.134 1.00 0.00 C ATOM 1746 O HIS A 111 7.551 -11.076 4.450 1.00 0.00 O ATOM 1747 CB HIS A 111 6.215 -8.228 5.691 1.00 0.00 C ATOM 1748 CG HIS A 111 5.287 -9.325 6.113 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.337 -9.916 7.357 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.279 -9.937 5.447 1.00 0.00 C ATOM 1751 CE1 HIS A 111 4.401 -10.846 7.439 1.00 0.00 C ATOM 1752 NE2 HIS A 111 3.745 -10.878 6.293 1.00 0.00 N ATOM 0 H HIS A 111 7.445 -6.801 4.103 1.00 0.00 H new ATOM 0 HA HIS A 111 8.224 -8.983 5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.538 -7.677 6.574 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.671 -7.526 5.059 1.00 0.00 H new ATOM 0 HD2 HIS A 111 3.955 -9.725 4.439 1.00 0.00 H new ATOM 0 HE1 HIS A 111 4.206 -11.473 8.297 1.00 0.00 H new ATOM 0 HE2 HIS A 111 2.968 -11.501 6.072 1.00 0.00 H new ATOM 1761 N PHE A 112 6.286 -9.799 3.097 1.00 0.00 N ATOM 1762 CA PHE A 112 5.873 -10.913 2.251 1.00 0.00 C ATOM 1763 C PHE A 112 7.041 -11.420 1.411 1.00 0.00 C ATOM 1764 O PHE A 112 7.311 -12.620 1.364 1.00 0.00 O ATOM 1765 CB PHE A 112 4.720 -10.489 1.339 1.00 0.00 C ATOM 1766 CG PHE A 112 3.437 -10.230 2.075 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.769 -11.263 2.713 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.898 -8.955 2.128 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.588 -11.029 3.392 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.717 -8.715 2.805 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.061 -9.753 3.437 1.00 0.00 C ATOM 0 H PHE A 112 5.902 -8.895 2.822 1.00 0.00 H new ATOM 0 HA PHE A 112 5.536 -11.722 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.008 -9.587 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.552 -11.267 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.176 -12.263 2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.406 -8.139 1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.078 -11.843 3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.307 -7.716 2.840 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.138 -9.567 3.965 1.00 0.00 H new